A0A087Y206_POEFO Loading...

PAC domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y206, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 762 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35Very low51.6Low197 Ų197112.8 Ų112.897%0.9757%0.567SS**  01420-67.5170.4174.100106.1V3 E575M1-V3 PolarHBondContact O-N 3.25Å; M1-E575 WeakPolarHBondContact O-CG 3.41Å; M1-E575 VanDerWaalsContact O-OE2 3.09Å
2P39.4Very low52.7Low113 Ų113112 Ų11273%0.73457%0.566SS**  trans-53136.3-179.524.6-34.6000110.7R4 E575P2-R4 PolarHBondContact O-N 2.65Å; P2-E575 VanDerWaalsContact CA-OE2 3.22Å; P2-E575 WeakPolarHBondContact CA-OE2 3.43Å
3V50.5Low53.6Low45 Ų45106.5 Ų106.527%0.27354%0.542SS..  trans-28.8120.4174.4177.30000110.5M1 R5 R572 E575M1-V3 PolarHBondContact O-N 3.25Å; V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 3.22Å; V3-R572 HydrophobicContact CG2-CG 3.74Å; V3-E575 VanDerWaalsContact CA-OE1 3.31Å; V3-E575 WeakPolarHBondContact CA-OE1 3.31Å; V3-E575 WeakPolarHBondContact CG2-OE1 3.46Å; V3-E575 VanDerWaalsContact N-CD 3.32Å; V3-E575 PolarHBondContact N-OE1 3.2Å; V3-E575 PolarHBondContact N-OE2 3.15Å
4R54.4Low54.7Low181 Ų181103.6 Ų103.668%0.68352%0.523SS*.  trans-54.298.9178-78.3-165.1-178.5-154.64.6109.5P2 G6 D509P2-R4 PolarHBondContact O-N 2.65Å; R4-G6 VanDerWaalsContact C-N 3.29Å; R4-G6 PolarHBondContact O-N 3.3Å; R4-D509 IonicContact NH1-OD1 3.19Å; R4-D509 IonicContact NH1-OD2 2.7Å; R4-D509 PolarHBondContact NH1-OD2 2.99Å
5R56Low56Low175 Ų17598.5 Ų98.566%0.6650%0.498SS*.  trans-7593.2168.9-67.4-178.4-174.5173.51.3105.3V3 H7 Y433V3-R5 VanDerWaalsContact C-N 3.35Å; V3-R5 PolarHBondContact O-N 3.22Å; R5-H7 PolarHBondContact O-N 2.75Å; R5-Y433 HydrophobicContact CG-CD1 4.28Å; R5-Y433 HydrophobicContact CG-CG 4.48Å
6G55.3Low57Low8 Ų897.6 Ų97.68%0.08250%0.495CS..PPolyproline II helixtrans-47.5141.917200000110R4 D509 V511R4-G6 VanDerWaalsContact C-N 3.29Å; R4-G6 PolarHBondContact O-N 3.3Å; G6-D509 CarbonylContact C-O 3.57Å; G6-D509 WeakPolarHBondContact CA-O 3.23Å; G6-V511 WeakPolarHBondContact O-CG2 3.32Å
7H56.6Low58.1Low154 Ų15497.4 Ų97.471%0.71350%0.5SS*.BIsolated β-bridgetrans-69.1144178.2-70.7-78.1000109.5R5 A9 D509 V511R5-H7 PolarHBondContact O-N 2.75Å; H7-A9 PolarHBondContact O-N 3.35Å; H7-D509 PolarHBondContact N-O 2.71Å; H7-V511 PolarHBondContact O-N 3.49Å
8V55.3Low59.2Low69 Ų6993.9 Ų93.942%0.41848%0.482SS..PPolyproline II helixtrans-72.8127.9166.8-179.80000106.2P10 P423V8-P10 WeakPolarHBondContact O-CD 3.32Å; V8-P423 HydrophobicContact CB-CG 4.4Å; V8-P423 HydrophobicContact CG1-CB 3.92Å; V8-P423 HydrophobicContact CG1-CG 3.7Å; V8-P423 HydrophobicContact CG2-CG 3.75Å
9A52.5Low60.4Low42 Ų4290.2 Ų90.235%0.34746%0.463SS..PPolyproline II helixtrans-51.6124.4175.800000109.7H7 T13H7-A9 PolarHBondContact O-N 3.35Å; A9-T13 HydrophobicContact CB-CG2 4.14Å
10P59.5Low61.3Low87 Ų8794.9 Ų94.957%0.56548%0.475SS*.PPolyproline II helixtrans-53.3149.8177.5-2935000112V8 N12 T13V8-P10 WeakPolarHBondContact O-CD 3.32Å; P10-N12 PolarHBondContact O-N 3.25Å; P10-T13 HydrophobicContact CB-CG2 4.39Å; P10-T13 HydrophobicContact CG-CG2 4.46Å; P10-T13 WeakPolarHBondContact O-CG2 3.36Å; P10-T13 PolarHBondContact O-N 3.48Å; P10-T13 PolarHBondContact O-OG1 3.43Å; P10-T13 VanDerWaalsContact O-OG1 3.12Å
11Q53.4Low62.1Low170 Ų17096.4 Ų96.479%0.79448%0.478SS*.THydrogen-bonded Turntrans-56.1-19.2179.4-75.5-175.9-14.100113.6F14Q11-F14 WeakPolarHBondContact O-CD1 3.36Å; Q11-F14 VanDerWaalsContact O-CE1 3.27Å; Q11-F14 WeakPolarHBondContact O-CE1 3.47Å
12N64.3Low64.2Low103 Ų10388.5 Ų88.555%0.55144%0.438SS*.THydrogen-bonded Turntrans-85.3-5179.3-65.3-9.5000114.9P10 F14 L15P10-N12 PolarHBondContact O-N 3.25Å; N12-F14 PolarHBondContact O-N 3.13Å; N12-L15 HydrophobicContact CB-CD1 4.49Å; N12-L15 VanDerWaalsContact O-CB 3.28Å; N12-L15 WeakPolarHBondContact O-CB 3.4Å; N12-L15 PolarHBondContact O-N 3.08Å
13T64.7Low66.1Low41 Ų4186.1 Ų86.125%0.25242%0.419SS..Hα-helixtrans-67.7-8.5-175.656.80000114.8A9 P10 L15 D16 T17A9-T13 HydrophobicContact CB-CG2 4.14Å; P10-T13 HydrophobicContact CB-CG2 4.39Å; P10-T13 HydrophobicContact CG-CG2 4.46Å; P10-T13 WeakPolarHBondContact O-CG2 3.36Å; P10-T13 PolarHBondContact O-N 3.48Å; P10-T13 PolarHBondContact O-OG1 3.43Å; P10-T13 VanDerWaalsContact O-OG1 3.12Å; T13-L15 PolarHBondContact O-N 3.22Å; T13-D16 PolarHBondContact O-N 3.11Å; T13-T17 PolarHBondContact O-N 2.96Å; T13-T17 VanDerWaalsContact O-N 3.11Å; T13-T17 PolarHBondContact O-OG1 2.75Å
14F69.4Low67.1Low65 Ų6588.5 Ų88.529%0.28544%0.438SS..Hα-helixtrans-62.3-29.4165.372.2-92.8000111.5Q11 N12 T17 I18 I123 M124Q11-F14 WeakPolarHBondContact O-CD1 3.36Å; Q11-F14 VanDerWaalsContact O-CE1 3.27Å; Q11-F14 WeakPolarHBondContact O-CE1 3.47Å; N12-F14 PolarHBondContact O-N 3.13Å; F14-T17 WeakPolarHBondContact O-CB 3.43Å; F14-T17 PolarHBondContact O-N 2.98Å; F14-I18 HydrophobicContact CD2-CD1 3.86Å; F14-I18 WeakPolarHBondContact O-CB 3.49Å; F14-I18 VanDerWaalsContact O-CG1 3.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.44Å; F14-I18 PolarHBondContact O-N 3.45Å; F14-I123 HydrophobicContact CE1-CD1 4.33Å; F14-I123 HydrophobicContact CE2-CD1 3.97Å; F14-I123 HydrophobicContact CZ-CD1 3.6Å; F14-M124 HydrophobicContact CE2-SD 4.35Å; F14-M124 HydrophobicContact CZ-CE 4.37Å; F14-M124 HydrophobicContact CZ-SD 4.29Å
15L74.4Confident68.2Low27 Ų2784.1 Ų84.114%0.14143%0.426CS..Hα-helixtrans-63.6-53174.1-72.4172.5000111.4N12 T13 T17 I18 I19 I31 I42 M124N12-L15 HydrophobicContact CB-CD1 4.49Å; N12-L15 VanDerWaalsContact O-CB 3.28Å; N12-L15 WeakPolarHBondContact O-CB 3.4Å; N12-L15 PolarHBondContact O-N 3.08Å; T13-L15 PolarHBondContact O-N 3.22Å; L15-T17 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 3.49Å; L15-I19 HydrophobicContact CB-CD1 4.49Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.26Å; L15-I31 HydrophobicContact CD2-CD1 3.91Å; L15-I31 HydrophobicContact CD2-CG2 4.1Å; L15-I42 HydrophobicContact CD1-CD1 4.48Å; L15-M124 HydrophobicContact CD1-CE 4.17Å; L15-M124 HydrophobicContact CD1-SD 4.11Å; L15-M124 HydrophobicContact CD2-SD 3.65Å; L15-M124 HydrophobicContact CG-SD 4.27Å
16D71.6Confident69.3Low84 Ų8481 Ų8145%0.44943%0.43SS..Hα-helixtrans-57.9-34.4176.9-58.7-32.6000111.6T13 R20T13-D16 PolarHBondContact O-N 3.11Å; D16-R20 VanDerWaalsContact O-CB 3.32Å; D16-R20 WeakPolarHBondContact O-CB 3.17Å; D16-R20 WeakPolarHBondContact O-CD 3.49Å; D16-R20 WeakPolarHBondContact O-CG 3.37Å; D16-R20 PolarHBondContact O-N 2.88Å
17T75.3Confident70.7Confident95 Ų9585 Ų8558%0.58344%0.443SS*.Hα-helixtrans-69.4-40.6176.1-54.70000112.1T13 F14 L15 K21T13-T17 PolarHBondContact O-N 2.96Å; T13-T17 VanDerWaalsContact O-N 3.11Å; T13-T17 PolarHBondContact O-OG1 2.75Å; F14-T17 WeakPolarHBondContact O-CB 3.43Å; F14-T17 PolarHBondContact O-N 2.98Å; L15-T17 PolarHBondContact O-N 3.3Å; T17-K21 VanDerWaalsContact O-CB 3.31Å; T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 PolarHBondContact O-N 2.93Å
18I77.8Confident72.4Confident34 Ų3481.2 Ų81.217%0.17442%0.424CS..Hα-helixtrans-68-48.4175.2-72.6165.9000110.4F14 L15 K21 F22 I126F14-I18 HydrophobicContact CD2-CD1 3.86Å; F14-I18 WeakPolarHBondContact O-CB 3.49Å; F14-I18 VanDerWaalsContact O-CG1 3.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.44Å; F14-I18 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 3.49Å; I18-K21 PolarHBondContact O-N 3.5Å; I18-K21 VanDerWaalsContact O-N 3.15Å; I18-F22 HydrophobicContact CG2-CD2 4.01Å; I18-F22 HydrophobicContact CG2-CE2 4.1Å; I18-F22 WeakPolarHBondContact O-CD2 3.1Å; I18-F22 PolarHBondContact O-N 3.2Å; I18-I126 HydrophobicContact CD1-CD1 4.28Å; I18-I126 HydrophobicContact CG2-CD1 3.78Å
19I82.3Confident74.1Confident24 Ų2477.9 Ų77.912%0.12341%0.405CS..Hα-helixtrans-56.2-58.3179.8-69.7163.9000109.4L15 K21 F22 D23 F29 I31 F43L15-I19 HydrophobicContact CB-CD1 4.49Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.26Å; I19-K21 PolarHBondContact O-N 3.43Å; I19-K21 VanDerWaalsContact O-N 3.12Å; I19-F22 PolarHBondContact O-N 2.91Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.45Å; I19-D23 WeakPolarHBondContact O-CB 3.05Å; I19-D23 PolarHBondContact O-N 2.86Å; I19-F29 HydrophobicContact CB-CZ 4.49Å; I19-F29 HydrophobicContact CG1-CE2 4.3Å; I19-F29 HydrophobicContact CG1-CZ 4.34Å; I19-F29 HydrophobicContact CG2-CZ 4.49Å; I19-I31 HydrophobicContact CD1-CD1 4.26Å; I19-I31 HydrophobicContact CG1-CD1 3.89Å; I19-F43 HydrophobicContact CD1-CD1 4.19Å; I19-F43 HydrophobicContact CD1-CD2 3.89Å; I19-F43 HydrophobicContact CD1-CE1 4.24Å; I19-F43 HydrophobicContact CD1-CE2 3.94Å; I19-F43 HydrophobicContact CD1-CG 4.02Å; I19-F43 HydrophobicContact CD1-CZ 4.12Å; I19-F43 HydrophobicContact CG1-CD1 4.15Å; I19-F43 HydrophobicContact CG1-CE1 3.96Å; I19-F43 HydrophobicContact CG1-CE2 4.45Å; I19-F43 HydrophobicContact CG1-CG 4.49Å; I19-F43 HydrophobicContact CG1-CZ 4.11Å; I19-F43 HydrophobicContact CG2-CE1 4.16Å; I19-F43 HydrophobicContact CG2-CE2 4.25Å; I19-F43 HydrophobicContact CG2-CZ 3.68Å
20R77.3Confident76.1Confident184 Ų18476 Ų7669%0.69439%0.388SS*.Hα-helixtrans-54.2-37.4177.1-71.4172.6-175.5-173.13.9113.1D16 S24D16-R20 VanDerWaalsContact O-CB 3.32Å; D16-R20 WeakPolarHBondContact O-CB 3.17Å; D16-R20 WeakPolarHBondContact O-CD 3.49Å; D16-R20 WeakPolarHBondContact O-CG 3.37Å; D16-R20 PolarHBondContact O-N 2.88Å; R20-S24 WeakPolarHBondContact O-CB 3.27Å; R20-S24 PolarHBondContact O-N 2.93Å; R20-S24 VanDerWaalsContact O-N 3.09Å; R20-S24 PolarHBondContact O-OG 3.31Å
21K79.4Confident77.5Confident126 Ų12671.9 Ų71.955%0.54836%0.362SS..Hα-helixtrans-69.9-43.2178.2-174.6-176.9176.1-169.70112.1T17 I18 I19 S24T17-K21 VanDerWaalsContact O-CB 3.31Å; T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 PolarHBondContact O-N 2.93Å; I18-K21 PolarHBondContact O-N 3.5Å; I18-K21 VanDerWaalsContact O-N 3.15Å; I19-K21 PolarHBondContact O-N 3.43Å; I19-K21 VanDerWaalsContact O-N 3.12Å; K21-S24 PolarHBondContact O-OG 3.34Å
22F79.3Confident79.3Confident31 Ų3163.8 Ų63.814%0.13632%0.324CS..Hα-helixtrans-75.6-33.5-179.1-82.4-124000111.7I18 I19 Q25 S26 R27 F29 I126I18-F22 HydrophobicContact CG2-CD2 4.01Å; I18-F22 HydrophobicContact CG2-CE2 4.1Å; I18-F22 WeakPolarHBondContact O-CD2 3.1Å; I18-F22 PolarHBondContact O-N 3.2Å; I19-F22 PolarHBondContact O-N 2.91Å; F22-Q25 CarbonylContact O-C 3.59Å; F22-Q25 WeakPolarHBondContact O-CA 3.29Å; F22-Q25 PolarHBondContact O-N 3.36Å; F22-Q25 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-N 3.43Å; F22-R27 HydrophobicContact CB-CB 4.35Å; F22-R27 HydrophobicContact CD1-CB 4.17Å; F22-R27 VanDerWaalsContact CD1-CD 3.47Å; F22-R27 HydrophobicContact CD1-CG 4.45Å; F22-R27 PolarHBondContact O-N 3.37Å; F22-F29 HydrophobicContact CB-CD1 3.64Å; F22-F29 HydrophobicContact CB-CE1 3.32Å; F22-F29 HydrophobicContact CB-CE2 4.42Å; F22-F29 HydrophobicContact CB-CG 4.35Å; F22-F29 HydrophobicContact CB-CZ 3.77Å; F22-F29 HydrophobicContact CD1-CB 4.39Å; F22-F29 HydrophobicContact CD1-CD1 4Å; F22-F29 HydrophobicContact CD1-CE1 4.5Å; F22-F29 HydrophobicContact CD1-CG 4.04Å; F22-F29 HydrophobicContact CG-CD1 4.28Å; F22-F29 HydrophobicContact CG-CE1 4.32Å; F22-I126 HydrophobicContact CE1-CG2 3.98Å; F22-I126 HydrophobicContact CZ-CG2 4.41Å
23D79.2Confident80.4Confident63 Ų6360.6 Ų60.634%0.33731%0.307SS..Hα-helixtrans-63.3-42.1171.5-64.9-23.1000111.4I19 Q25 S26 F29 N45I19-D23 WeakPolarHBondContact CG2-OD2 3.45Å; I19-D23 WeakPolarHBondContact O-CB 3.05Å; I19-D23 PolarHBondContact O-N 2.86Å; D23-Q25 PolarHBondContact O-N 3.05Å; D23-S26 PolarHBondContact O-N 3.41Å; D23-F29 WeakPolarHBondContact OD1-CE1 3.46Å; D23-N45 VanDerWaalsContact OD1-CG 3.3Å; D23-N45 PolarHBondContact OD1-ND2 3.49Å; D23-N45 PolarHBondContact OD1-OD1 3.32Å
24S71Confident81.4Confident96 Ų9659.9 Ų59.967%0.67131%0.305SS*.THydrogen-bonded Turntrans-64.7-7.7173.576.20000114.3R20 K21R20-S24 WeakPolarHBondContact O-CB 3.27Å; R20-S24 PolarHBondContact O-N 2.93Å; R20-S24 VanDerWaalsContact O-N 3.09Å; R20-S24 PolarHBondContact O-OG 3.31Å; K21-S24 PolarHBondContact O-OG 3.34Å
25Q77.8Confident81.9Confident89 Ų8964.8 Ų64.842%0.41632%0.322SS..THydrogen-bonded Turntrans-113.214.2173.8-63.2-173.7-3.100112.7F22 D23 R27F22-Q25 CarbonylContact O-C 3.59Å; F22-Q25 WeakPolarHBondContact O-CA 3.29Å; F22-Q25 PolarHBondContact O-N 3.36Å; F22-Q25 VanDerWaalsContact O-N 3.07Å; D23-Q25 PolarHBondContact O-N 3.05Å; Q25-R27 HydrophobicContact CB-CG 4.01Å; Q25-R27 PolarHBondContact O-N 3.31Å
26S78.7Confident82.2Confident108 Ų10866.6 Ų66.676%0.75533%0.334SS*.THydrogen-bonded Turntrans47.628.6-178.457.50000115.4F22 D23F22-S26 PolarHBondContact O-N 3.43Å; D23-S26 PolarHBondContact O-N 3.41Å
27R85.1Confident82.1Confident92 Ų9270.9 Ų70.935%0.34735%0.351SS..  trans-73.4142.9-176-72.7-176.2-177.9-129.6-3.9112.2F22 Q25 F29 N45 N128F22-R27 HydrophobicContact CB-CB 4.35Å; F22-R27 HydrophobicContact CD1-CB 4.17Å; F22-R27 VanDerWaalsContact CD1-CD 3.47Å; F22-R27 HydrophobicContact CD1-CG 4.45Å; F22-R27 PolarHBondContact O-N 3.37Å; Q25-R27 HydrophobicContact CB-CG 4.01Å; Q25-R27 PolarHBondContact O-N 3.31Å; R27-F29 HydrophobicContact CB-CD1 4.12Å; R27-F29 WeakPolarHBondContact O-CD1 3.45Å; R27-F29 PolarHBondContact O-N 2.92Å; R27-N45 PolarHBondContact O-ND2 3.04Å; R27-N128 WeakPolarHBondContact CB-OD1 3.46Å
28K91.9Very high82.3Confident75 Ų7572.8 Ų72.833%0.32636%0.358SS..  trans-95.493.8177.3-51.7171.8-174.5171.10107.9G47 L51 F129K28-G47 WeakPolarHBondContact CG-O 3.45Å; K28-L51 HydrophobicContact CB-CD2 4.49Å; K28-L51 HydrophobicContact CD-CB 4.29Å; K28-L51 HydrophobicContact CD-CD1 4.43Å; K28-L51 HydrophobicContact CD-CD2 4.11Å; K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 3.37Å
29F92.1Very high82.7Confident0 Ų072.4 Ų72.40%036%0.358CS..EExtended strand (participates in β ladder)trans-134.4161.6-171.773-82.9000114.2I19 F22 D23 R27 I31 F43 N45 I126 L127 N128I19-F29 HydrophobicContact CB-CZ 4.49Å; I19-F29 HydrophobicContact CG1-CE2 4.3Å; I19-F29 HydrophobicContact CG1-CZ 4.34Å; I19-F29 HydrophobicContact CG2-CZ 4.49Å; F22-F29 HydrophobicContact CB-CD1 3.64Å; F22-F29 HydrophobicContact CB-CE1 3.32Å; F22-F29 HydrophobicContact CB-CE2 4.42Å; F22-F29 HydrophobicContact CB-CG 4.35Å; F22-F29 HydrophobicContact CB-CZ 3.77Å; F22-F29 HydrophobicContact CD1-CB 4.39Å; F22-F29 HydrophobicContact CD1-CD1 4Å; F22-F29 HydrophobicContact CD1-CE1 4.5Å; F22-F29 HydrophobicContact CD1-CG 4.04Å; F22-F29 HydrophobicContact CG-CD1 4.28Å; F22-F29 HydrophobicContact CG-CE1 4.32Å; D23-F29 WeakPolarHBondContact OD1-CE1 3.46Å; R27-F29 HydrophobicContact CB-CD1 4.12Å; R27-F29 WeakPolarHBondContact O-CD1 3.45Å; R27-F29 PolarHBondContact O-N 2.92Å; F29-I31 HydrophobicContact CD2-CG1 4.08Å; F29-I31 HydrophobicContact CE2-CD1 4.08Å; F29-I31 HydrophobicContact CE2-CG1 4.03Å; F29-F43 AromaticContact CE2-CD1 3.86Å; F29-F43 HydrophobicContact CE2-CD1 3.86Å; F29-F43 AromaticContact CE2-CE1 3.63Å; F29-F43 HydrophobicContact CE2-CE1 3.63Å; F29-F43 HydrophobicContact CZ-CD1 4.37Å; F29-F43 AromaticContact CZ-CE1 3.67Å; F29-F43 HydrophobicContact CZ-CE1 3.67Å; F29-N45 HydrophobicContact CD1-CB 4.11Å; F29-N45 HydrophobicContact CE1-CB 3.89Å; F29-N45 WeakPolarHBondContact CE1-ND2 3.44Å; F29-N45 HydrophobicContact CZ-CB 4.31Å; F29-N45 PolarHBondContact O-N 2.75Å; F29-I126 HydrophobicContact CB-CG2 4.49Å; F29-I126 HydrophobicContact CD2-CG2 4.41Å; F29-L127 CarbonylContact C-O 3.5Å; F29-L127 WeakPolarHBondContact CA-O 3.48Å; F29-L127 WeakPolarHBondContact CB-O 3.36Å; F29-N128 HydrophobicContact CB-CB 4.43Å
30V92.9Very high82.9Confident1 Ų172.2 Ų72.21%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-132.3142.7178.9-178.90000108.3I41 F43 C44 F48 L127 F129V30-I41 HydrophobicContact CG1-CB 4.19Å; V30-I41 HydrophobicContact CG1-CD1 3.86Å; V30-I41 HydrophobicContact CG1-CG1 3.69Å; V30-I41 HydrophobicContact CG1-CG2 3.48Å; V30-I41 VanDerWaalsContact CG1-CG2 3.48Å; V30-F43 CarbonylContact C-O 3.53Å; V30-F43 WeakPolarHBondContact CA-O 3.42Å; V30-F43 WeakPolarHBondContact CG1-O 3.44Å; V30-C44 HydrophobicContact CG2-CB 4.16Å; V30-F48 HydrophobicContact CG2-CB 4.29Å; V30-F48 HydrophobicContact CG2-CD1 3.53Å; V30-F48 HydrophobicContact CG2-CD2 3.63Å; V30-F48 HydrophobicContact CG2-CE1 3.63Å; V30-F48 HydrophobicContact CG2-CE2 3.73Å; V30-F48 HydrophobicContact CG2-CG 3.52Å; V30-F48 HydrophobicContact CG2-CZ 3.72Å; V30-L127 PolarHBondContact N-O 3.16Å; V30-L127 PolarHBondContact O-N 3.47Å; V30-F129 HydrophobicContact CB-CE2 4.23Å; V30-F129 HydrophobicContact CG2-CE2 3.85Å
31I90.5Very high83.5Confident1 Ų163.6 Ų63.61%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-114.9132.1172.6-48.7179.6000109.1L15 I19 F29 I42 F43 M124 F125L15-I31 HydrophobicContact CD2-CD1 3.91Å; L15-I31 HydrophobicContact CD2-CG2 4.1Å; I19-I31 HydrophobicContact CD1-CD1 4.26Å; I19-I31 HydrophobicContact CG1-CD1 3.89Å; F29-I31 HydrophobicContact CD2-CG1 4.08Å; F29-I31 HydrophobicContact CE2-CD1 4.08Å; F29-I31 HydrophobicContact CE2-CG1 4.03Å; I31-I42 HydrophobicContact CB-CG1 4.32Å; I31-I42 HydrophobicContact CG2-CD1 4.15Å; I31-I42 HydrophobicContact CG2-CG1 4.17Å; I31-I42 WeakPolarHBondContact O-CG1 3.37Å; I31-I42 PolarHBondContact O-N 3.3Å; I31-F43 HydrophobicContact CB-CB 4.19Å; I31-F43 HydrophobicContact CD1-CB 4.48Å; I31-F43 HydrophobicContact CD1-CD1 4.26Å; I31-F43 HydrophobicContact CG1-CB 4.4Å; I31-F43 HydrophobicContact CG1-CD1 4.25Å; I31-F43 PolarHBondContact N-O 3.26Å; I31-F43 PolarHBondContact O-N 3.08Å; I31-M124 HydrophobicContact CG2-CB 4.33Å; I31-M124 HydrophobicContact CG2-SD 4.23Å; I31-F125 WeakPolarHBondContact CA-O 3.34Å
32A89.6Confident83.9Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-124144.7178.700000111.7A40 C64 M124 F125A32-A40 WeakPolarHBondContact CA-O 3.49Å; A32-C64 HydrophobicContact CB-CB 3.36Å; A32-M124 CarbonylContact O-C 3.45Å; A32-M124 WeakPolarHBondContact O-CA 3.47Å; A32-M124 VanDerWaalsContact O-CB 3.31Å; A32-M124 WeakPolarHBondContact O-CB 3.4Å; A32-F125 PolarHBondContact N-O 3.21Å; A32-F125 PolarHBondContact O-N 3.09Å
33N88.3Confident84.4Confident36 Ų3661.5 Ų61.519%0.19332%0.321CS..EExtended strand (participates in β ladder)trans-87114.3180-175-11.2000110.5R35 V36 C39 A40 I42N33-R35 PolarHBondContact O-N 3.43Å; N33-R35 WeakPolarHBondContact OD1-CB 3.37Å; N33-R35 PolarHBondContact OD1-N 3.1Å; N33-V36 HydrophobicContact CB-CB 4.49Å; N33-V36 HydrophobicContact CB-CG2 4.27Å; N33-V36 WeakPolarHBondContact ND2-CG2 3.47Å; N33-V36 PolarHBondContact O-N 2.91Å; N33-C39 WeakPolarHBondContact O-CA 3.44Å; N33-A40 PolarHBondContact N-O 3.39Å; N33-I42 HydrophobicContact CB-CD1 4.4Å; N33-I42 HydrophobicContact CB-CG2 3.9Å
34A85.8Confident84.9Confident27 Ų2758.5 Ų58.522%0.22331%0.305CS..THydrogen-bonded Turntrans-74.9-11.7-177.200000113.6V122 I123 F125A34-V122 HydrophobicContact CB-CG1 3.99Å; A34-I123 WeakPolarHBondContact CB-O 3.33Å; A34-I123 PolarHBondContact N-O 2.92Å; A34-F125 HydrophobicContact CB-CD2 3.78Å; A34-F125 HydrophobicContact CB-CE2 3.48Å; A34-F125 VanDerWaalsContact CB-CE2 3.48Å; A34-F125 HydrophobicContact CB-CZ 4.4Å
35R80.1Confident86Confident167 Ų16755 Ų5563%0.6328%0.279SS*.THydrogen-bonded Turntrans-93.2-5.1179.6-61.8-175.8173.9-175.3-0.4114N33N33-R35 PolarHBondContact O-N 3.43Å; N33-R35 WeakPolarHBondContact OD1-CB 3.37Å; N33-R35 PolarHBondContact OD1-N 3.1Å
36V80.1Confident86.5Confident66 Ų6654.6 Ų54.640%0.428%0.28SS..SBendtrans-102.3138.81781730000108.9N33 N38 C39 A40N33-V36 HydrophobicContact CB-CB 4.49Å; N33-V36 HydrophobicContact CB-CG2 4.27Å; N33-V36 WeakPolarHBondContact ND2-CG2 3.47Å; N33-V36 PolarHBondContact O-N 2.91Å; V36-N38 PolarHBondContact O-N 3.44Å; V36-C39 WeakPolarHBondContact O-CA 3.35Å; V36-C39 PolarHBondContact O-N 3.48Å; V36-A40 HydrophobicContact CG1-CB 4.21Å
37E70.9Confident87.1Confident173 Ų17350.8 Ų50.881%0.80826%0.257SS*.THydrogen-bonded Turntrans-52.3138.3177.3-64.1178.7-173.600111.4C39E37-C39 PolarHBondContact O-N 3.35Å
38N79.3Confident87.4Confident135 Ų13546.4 Ų46.472%0.72224%0.241SC*.THydrogen-bonded Turntrans63.710-172.2-46.2-78.7000115.6V36 P63V36-N38 PolarHBondContact O-N 3.44Å; N38-P63 HydrophobicContact CB-CB 4.35Å; N38-P63 WeakPolarHBondContact O-CA 3.31Å; N38-P63 WeakPolarHBondContact O-CB 3.35Å
39C84.8Confident87.4Confident27 Ų2743.7 Ų43.718%0.18223%0.231CC..  trans49.263177-670000112.6N33 V36 E37 C64N33-C39 WeakPolarHBondContact O-CA 3.44Å; V36-C39 WeakPolarHBondContact O-CA 3.35Å; V36-C39 PolarHBondContact O-N 3.48Å; E37-C39 PolarHBondContact O-N 3.35Å; C39-C64 WeakPolarHBondContact CB-SG 3.47Å; C39-C64 VanDerWaalsContact O-CB 3.31Å; C39-C64 WeakPolarHBondContact O-CB 3.4Å; C39-C64 PolarHBondContact O-N 2.87Å; C39-C64 VanDerWaalsContact O-N 3.11Å; C39-C64 PolarHBondContact O-SG 3.07Å
40A87.8Confident87.3Confident20 Ų2050.7 Ų50.717%0.16526%0.263CS..BIsolated β-bridgetrans-65.8143.1-172.600000113.7A32 N33 V36 K62A32-A40 WeakPolarHBondContact CA-O 3.49Å; N33-A40 PolarHBondContact N-O 3.39Å; V36-A40 HydrophobicContact CG1-CB 4.21Å; A40-K62 WeakPolarHBondContact CA-O 3.45Å
41I89.3Confident87.1Confident2 Ų251.2 Ų51.21%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-69.9125.7175.5-66.6168.2000110.5V30 I59 Q61 K62 C64V30-I41 HydrophobicContact CG1-CB 4.19Å; V30-I41 HydrophobicContact CG1-CD1 3.86Å; V30-I41 HydrophobicContact CG1-CG1 3.69Å; V30-I41 HydrophobicContact CG1-CG2 3.48Å; V30-I41 VanDerWaalsContact CG1-CG2 3.48Å; I41-I59 HydrophobicContact CD1-CG2 4.16Å; I41-I59 HydrophobicContact CG2-CG2 4.19Å; I41-Q61 PolarHBondContact O-N 3.17Å; I41-K62 HydrophobicContact CD1-CB 4.34Å; I41-K62 WeakPolarHBondContact CG1-O 3.47Å; I41-K62 PolarHBondContact N-O 2.9Å; I41-C64 HydrophobicContact CG1-CB 4.16Å
42I88.4Confident87.1Confident63 Ų6351.4 Ų51.432%0.32327%0.267SS..EExtended strand (participates in β ladder)trans-112.4-15.2-179.359.6165.6000113.8L15 I31 N33 M60 M124L15-I42 HydrophobicContact CD1-CD1 4.48Å; I31-I42 HydrophobicContact CB-CG1 4.32Å; I31-I42 HydrophobicContact CG2-CD1 4.15Å; I31-I42 HydrophobicContact CG2-CG1 4.17Å; I31-I42 WeakPolarHBondContact O-CG1 3.37Å; I31-I42 PolarHBondContact O-N 3.3Å; N33-I42 HydrophobicContact CB-CD1 4.4Å; N33-I42 HydrophobicContact CB-CG2 3.9Å; I42-M60 WeakPolarHBondContact O-CE 3.36Å; I42-M124 HydrophobicContact CD1-CE 4.01Å; I42-M124 HydrophobicContact CD1-SD 3.81Å
43F89.1Confident87.1Confident50 Ų5053.1 Ų53.122%0.21929%0.285CS..EExtended strand (participates in β ladder)trans-154.3142.3173.9178.2-91.5000110.4I19 F29 V30 I31 N45I19-F43 HydrophobicContact CD1-CD1 4.19Å; I19-F43 HydrophobicContact CD1-CD2 3.89Å; I19-F43 HydrophobicContact CD1-CE1 4.24Å; I19-F43 HydrophobicContact CD1-CE2 3.94Å; I19-F43 HydrophobicContact CD1-CG 4.02Å; I19-F43 HydrophobicContact CD1-CZ 4.12Å; I19-F43 HydrophobicContact CG1-CD1 4.15Å; I19-F43 HydrophobicContact CG1-CE1 3.96Å; I19-F43 HydrophobicContact CG1-CE2 4.45Å; I19-F43 HydrophobicContact CG1-CG 4.49Å; I19-F43 HydrophobicContact CG1-CZ 4.11Å; I19-F43 HydrophobicContact CG2-CE1 4.16Å; I19-F43 HydrophobicContact CG2-CE2 4.25Å; I19-F43 HydrophobicContact CG2-CZ 3.68Å; F29-F43 AromaticContact CE2-CD1 3.86Å; F29-F43 HydrophobicContact CE2-CD1 3.86Å; F29-F43 AromaticContact CE2-CE1 3.63Å; F29-F43 HydrophobicContact CE2-CE1 3.63Å; F29-F43 HydrophobicContact CZ-CD1 4.37Å; F29-F43 AromaticContact CZ-CE1 3.67Å; F29-F43 HydrophobicContact CZ-CE1 3.67Å; V30-F43 CarbonylContact C-O 3.53Å; V30-F43 WeakPolarHBondContact CA-O 3.42Å; V30-F43 WeakPolarHBondContact CG1-O 3.44Å; I31-F43 HydrophobicContact CB-CB 4.19Å; I31-F43 HydrophobicContact CD1-CB 4.48Å; I31-F43 HydrophobicContact CD1-CD1 4.26Å; I31-F43 HydrophobicContact CG1-CB 4.4Å; I31-F43 HydrophobicContact CG1-CD1 4.25Å; I31-F43 PolarHBondContact N-O 3.26Å; I31-F43 PolarHBondContact O-N 3.08Å; F43-N45 HydrophobicContact CE1-CB 4.26Å
44C90.8Very high87.3Confident0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-136.4137.7167.363.20000110V30 F48 R56 I59V30-C44 HydrophobicContact CG2-CB 4.16Å; C44-F48 HydrophobicContact CB-CD1 4.08Å; C44-R56 PolarHBondContact O-NE 3.14Å; C44-R56 PolarHBondContact O-NH2 2.87Å; C44-I59 HydrophobicContact CB-CG2 3.91Å
45N92.2Very high87.6Confident22 Ų2255.3 Ų55.312%0.11829%0.294CS..  trans-74.6153176.7-161.4-2.5000111.3D23 R27 F29 F43 G47 F48 C49D23-N45 VanDerWaalsContact OD1-CG 3.3Å; D23-N45 PolarHBondContact OD1-ND2 3.49Å; D23-N45 PolarHBondContact OD1-OD1 3.32Å; R27-N45 PolarHBondContact O-ND2 3.04Å; F29-N45 HydrophobicContact CD1-CB 4.11Å; F29-N45 HydrophobicContact CE1-CB 3.89Å; F29-N45 WeakPolarHBondContact CE1-ND2 3.44Å; F29-N45 HydrophobicContact CZ-CB 4.31Å; F29-N45 PolarHBondContact O-N 2.75Å; F43-N45 HydrophobicContact CE1-CB 4.26Å; N45-G47 PolarHBondContact O-N 3.06Å; N45-F48 WeakPolarHBondContact O-CA 3.3Å; N45-F48 WeakPolarHBondContact O-CB 3.39Å; N45-F48 PolarHBondContact O-N 3.13Å; N45-C49 PolarHBondContact O-N 3.02Å; N45-C49 VanDerWaalsContact O-N 3.16Å; N45-C49 PolarHBondContact O-SG 3.02Å
46D89.8Confident88Confident82 Ų8251.9 Ų51.944%0.43928%0.281SS..Hα-helixtrans-59.8-34.9174.9-64.6-38.9000111.3F48 C49 H50 R56D46-F48 PolarHBondContact O-N 2.9Å; D46-C49 WeakPolarHBondContact O-CB 3.4Å; D46-C49 PolarHBondContact O-N 2.91Å; D46-C49 VanDerWaalsContact O-N 3.1Å; D46-H50 PolarHBondContact O-CD2 3.48Å; D46-H50 PolarHBondContact O-N 3.45Å; D46-R56 IonicContact OD1-CZ 3.64Å; D46-R56 IonicContact OD1-NH1 2.87Å; D46-R56 PolarHBondContact OD1-NH1 2.67Å; D46-R56 IonicContact OD1-NH2 3.84Å; D46-R56 PolarHBondContact OD1-NH2 3.07Å; D46-R56 IonicContact OD2-NH2 3.44Å
47G89.8Confident88.3Confident27 Ų2753.1 Ų53.128%0.27830%0.298SS..Hα-helixtrans-60.8-23.2171.600000114.9K28 N45 L51K28-G47 WeakPolarHBondContact CG-O 3.45Å; N45-G47 PolarHBondContact O-N 3.06Å; G47-L51 PolarHBondContact O-N 3Å
48F91.7Very high89.2Confident1 Ų148.3 Ų48.30%0.00428%0.275CS..Hα-helixtrans-83.9-39170.8177.7-94.1000111.7V30 C44 N45 D46 H50 L51 C52 I59 L69 F129V30-F48 HydrophobicContact CG2-CB 4.29Å; V30-F48 HydrophobicContact CG2-CD1 3.53Å; V30-F48 HydrophobicContact CG2-CD2 3.63Å; V30-F48 HydrophobicContact CG2-CE1 3.63Å; V30-F48 HydrophobicContact CG2-CE2 3.73Å; V30-F48 HydrophobicContact CG2-CG 3.52Å; V30-F48 HydrophobicContact CG2-CZ 3.72Å; C44-F48 HydrophobicContact CB-CD1 4.08Å; N45-F48 WeakPolarHBondContact O-CA 3.3Å; N45-F48 WeakPolarHBondContact O-CB 3.39Å; N45-F48 PolarHBondContact O-N 3.13Å; D46-F48 PolarHBondContact O-N 2.9Å; F48-H50 VanDerWaalsContact C-N 3.33Å; F48-H50 PolarHBondContact O-N 2.88Å; F48-L51 HydrophobicContact CD2-CD2 4.49Å; F48-L51 WeakPolarHBondContact O-CB 3.36Å; F48-L51 PolarHBondContact O-N 2.74Å; F48-C52 PolarHBondContact O-N 2.87Å; F48-C52 VanDerWaalsContact O-N 3.1Å; F48-C52 PolarHBondContact O-SG 3.44Å; F48-I59 HydrophobicContact CD1-CD1 4.02Å; F48-I59 HydrophobicContact CD1-CG2 4.46Å; F48-I59 HydrophobicContact CE1-CD1 3.95Å; F48-I59 HydrophobicContact CE1-CG1 4.33Å; F48-I59 HydrophobicContact CE1-CG2 3.95Å; F48-L69 HydrophobicContact CE2-CD1 4.49Å; F48-L69 HydrophobicContact CZ-CD1 4.07Å; F48-F129 AromaticContact CD2-CD2 3.58Å; F48-F129 HydrophobicContact CD2-CD2 3.58Å; F48-F129 AromaticContact CD2-CE2 3.85Å; F48-F129 HydrophobicContact CD2-CE2 3.85Å; F48-F129 AromaticContact CD2-CG 3.98Å; F48-F129 HydrophobicContact CD2-CG 3.98Å; F48-F129 HydrophobicContact CD2-CZ 4.45Å; F48-F129 AromaticContact CE2-CD1 3.99Å; F48-F129 HydrophobicContact CE2-CD1 3.99Å; F48-F129 AromaticContact CE2-CD2 3.6Å; F48-F129 HydrophobicContact CE2-CD2 3.6Å; F48-F129 AromaticContact CE2-CE1 3.89Å; F48-F129 HydrophobicContact CE2-CE1 3.89Å; F48-F129 AromaticContact CE2-CE2 3.48Å; F48-F129 HydrophobicContact CE2-CE2 3.48Å; F48-F129 VanDerWaalsContact CE2-CE2 3.48Å; F48-F129 AromaticContact CE2-CG 3.87Å; F48-F129 HydrophobicContact CE2-CG 3.87Å; F48-F129 AromaticContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CZ-CE2 4.37Å; F48-F129 HydrophobicContact CZ-CZ 4.32Å
49C91.8Very high89.7Confident17 Ų1741.9 Ų41.912%0.11524%0.241CC..Hα-helixtrans-56.8-46.9172.3-56.20000111N45 D46 L51 C52 G53N45-C49 PolarHBondContact O-N 3.02Å; N45-C49 VanDerWaalsContact O-N 3.16Å; N45-C49 PolarHBondContact O-SG 3.02Å; D46-C49 WeakPolarHBondContact O-CB 3.4Å; D46-C49 PolarHBondContact O-N 2.91Å; D46-C49 VanDerWaalsContact O-N 3.1Å; C49-L51 VanDerWaalsContact C-N 3.28Å; C49-L51 PolarHBondContact O-N 2.91Å; C49-C52 PolarHBondContact O-N 2.78Å; C49-G53 PolarHBondContact O-N 3.19Å
50H90.1Very high89.8Confident148 Ų14843.8 Ų43.869%0.68525%0.248SC*.Hα-helixtrans-67.3-22.7174.1-69.5-64.2000114.2D46 F48 R100D46-H50 PolarHBondContact O-CD2 3.48Å; D46-H50 PolarHBondContact O-N 3.45Å; F48-H50 VanDerWaalsContact C-N 3.33Å; F48-H50 PolarHBondContact O-N 2.88Å; H50-R100 PolarHBondContact O-NH2 3Å; H50-R100 VanDerWaalsContact O-NH2 3.07Å
51L90Very high89.7Confident12 Ų1251 Ų516%0.06328%0.278CS..Hα-helixtrans-71.5-46.6174.1179.460.2000111.2K28 G47 F48 C49 R100 L106 F129 V131K28-L51 HydrophobicContact CB-CD2 4.49Å; K28-L51 HydrophobicContact CD-CB 4.29Å; K28-L51 HydrophobicContact CD-CD1 4.43Å; K28-L51 HydrophobicContact CD-CD2 4.11Å; G47-L51 PolarHBondContact O-N 3Å; F48-L51 HydrophobicContact CD2-CD2 4.49Å; F48-L51 WeakPolarHBondContact O-CB 3.36Å; F48-L51 PolarHBondContact O-N 2.74Å; C49-L51 VanDerWaalsContact C-N 3.28Å; C49-L51 PolarHBondContact O-N 2.91Å; L51-R100 WeakPolarHBondContact O-CG 3.48Å; L51-R100 PolarHBondContact O-NE 3.28Å; L51-L106 HydrophobicContact CD1-CD1 4.31Å; L51-F129 HydrophobicContact CD2-CB 3.62Å; L51-F129 HydrophobicContact CD2-CG 4.36Å; L51-V131 HydrophobicContact CD1-CG2 3.43Å; L51-V131 VanDerWaalsContact CD1-CG2 3.43Å
52C90.3Very high89.6Confident5 Ų555.5 Ų55.53%0.03430%0.298CS..Hα-helixtrans-98.1-15.6-171.563.50000115.2F48 C49 Y54 L69 R100 K101F48-C52 PolarHBondContact O-N 2.87Å; F48-C52 VanDerWaalsContact O-N 3.1Å; F48-C52 PolarHBondContact O-SG 3.44Å; C49-C52 PolarHBondContact O-N 2.78Å; C52-Y54 VanDerWaalsContact C-N 3.26Å; C52-Y54 HydrophobicContact CB-CD2 3.95Å; C52-Y54 WeakPolarHBondContact O-CD2 3.27Å; C52-Y54 PolarHBondContact O-N 2.86Å; C52-L69 HydrophobicContact CB-CD1 4.47Å; C52-L69 HydrophobicContact CB-CD2 3.72Å; C52-R100 WeakPolarHBondContact O-CA 3.4Å; C52-K101 PolarHBondContact O-N 3.01Å
53G89.5Confident89.7Confident36 Ų3654.5 Ų54.537%0.37130%0.295SS..SBendtrans80.5-0.6-177.400000114.5C49 K101C49-G53 PolarHBondContact O-N 3.19Å; G53-K101 WeakPolarHBondContact O-CD 3.47Å
54Y92.1Very high89.6Confident52 Ų5252.2 Ų52.220%0.20429%0.285CS..  trans-89.2147.8175.5-65.7-91000111.7C52 E58 F68 L69 K101C52-Y54 VanDerWaalsContact C-N 3.26Å; C52-Y54 HydrophobicContact CB-CD2 3.95Å; C52-Y54 WeakPolarHBondContact O-CD2 3.27Å; C52-Y54 PolarHBondContact O-N 2.86Å; Y54-E58 HydrophobicContact CD1-CB 4.29Å; Y54-F68 HydrophobicContact CD2-CD2 4.27Å; Y54-F68 HydrophobicContact CD2-CE2 4.32Å; Y54-F68 HydrophobicContact CE2-CD2 4.16Å; Y54-L69 HydrophobicContact CD2-CD2 4.02Å; Y54-L69 HydrophobicContact CE2-CD2 3.76Å; Y54-K101 HydrophobicContact CD1-CB 4.45Å; Y54-K101 HydrophobicContact CD1-CD 3.82Å; Y54-K101 HydrophobicContact CD1-CG 4.15Å; Y54-K101 HydrophobicContact CD2-CB 4.03Å; Y54-K101 HydrophobicContact CE1-CB 4.17Å; Y54-K101 HydrophobicContact CE1-CD 3.96Å; Y54-K101 HydrophobicContact CE1-CG 3.8Å; Y54-K101 HydrophobicContact CE2-CB 3.71Å; Y54-K101 HydrophobicContact CE2-CG 4.28Å; Y54-K101 HydrophobicContact CG-CB 4.38Å; Y54-K101 HydrophobicContact CG-CD 4.19Å
55S91.5Very high89.5Confident57 Ų5753.9 Ų53.940%0.39930%0.296SS..  trans-77.4155.1174.466.20000111.5A57 E58 I59S55-A57 PolarHBondContact O-N 3.33Å; S55-A57 VanDerWaalsContact O-N 3.13Å; S55-E58 WeakPolarHBondContact CB-OE2 3.3Å; S55-E58 PolarHBondContact N-OE2 2.67Å; S55-E58 PolarHBondContact O-N 3.38Å; S55-E58 VanDerWaalsContact OG-CD 3.3Å; S55-E58 VanDerWaalsContact OG-CG 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-OE2 3.45Å; S55-I59 WeakPolarHBondContact O-CD1 3.33Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.32Å
56R89Confident89.4Confident95 Ų9553.1 Ų53.136%0.35829%0.292SS..Hα-helixtrans-52.4-36.2176.1177.5171.1-75.7110.61.9112.5C44 D46 E58 I59 M60C44-R56 PolarHBondContact O-NE 3.14Å; C44-R56 PolarHBondContact O-NH2 2.87Å; D46-R56 IonicContact OD1-CZ 3.64Å; D46-R56 IonicContact OD1-NH1 2.87Å; D46-R56 PolarHBondContact OD1-NH1 2.67Å; D46-R56 IonicContact OD1-NH2 3.84Å; D46-R56 PolarHBondContact OD1-NH2 3.07Å; D46-R56 IonicContact OD2-NH2 3.44Å; R56-E58 VanDerWaalsContact C-N 3.33Å; R56-E58 PolarHBondContact O-N 2.94Å; R56-I59 PolarHBondContact O-N 2.96Å; R56-M60 HydrophobicContact CG-CG 3.96Å; R56-M60 WeakPolarHBondContact O-CB 3.29Å; R56-M60 WeakPolarHBondContact O-CG 3.49Å; R56-M60 PolarHBondContact O-N 2.99Å
57A86.9Confident89.3Confident91 Ų9153.6 Ų53.675%0.75230%0.295SS*.Hα-helixtrans-67.8-27.9177.500000114.1S55S55-A57 PolarHBondContact O-N 3.33Å; S55-A57 VanDerWaalsContact O-N 3.13Å
58E88.9Confident89.3Confident72 Ų7254.9 Ų54.934%0.33629%0.293SS..Hα-helixtrans-83-25.3177.4-67.6165.8122.200112.7Y54 S55 R56 K62 K101Y54-E58 HydrophobicContact CD1-CB 4.29Å; S55-E58 WeakPolarHBondContact CB-OE2 3.3Å; S55-E58 PolarHBondContact N-OE2 2.67Å; S55-E58 PolarHBondContact O-N 3.38Å; S55-E58 VanDerWaalsContact OG-CD 3.3Å; S55-E58 VanDerWaalsContact OG-CG 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-OE2 3.45Å; R56-E58 VanDerWaalsContact C-N 3.33Å; R56-E58 PolarHBondContact O-N 2.94Å; E58-K62 WeakPolarHBondContact O-CE 3.41Å; E58-K62 VanDerWaalsContact O-CG 3.22Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; E58-K101 WeakPolarHBondContact OE1-CE 3.48Å; E58-K101 IonicContact OE1-NZ 4Å; E58-K101 PolarHBondContact OE1-NZ 3.09Å; E58-K101 IonicContact OE2-NZ 3.88Å; E58-K101 PolarHBondContact OE2-NZ 2.87Å
59I90.4Very high89.3Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-88.5-39-176.9-63.2159.7000112I41 C44 F48 S55 R56 K62I41-I59 HydrophobicContact CD1-CG2 4.16Å; I41-I59 HydrophobicContact CG2-CG2 4.19Å; C44-I59 HydrophobicContact CB-CG2 3.91Å; F48-I59 HydrophobicContact CD1-CD1 4.02Å; F48-I59 HydrophobicContact CD1-CG2 4.46Å; F48-I59 HydrophobicContact CE1-CD1 3.95Å; F48-I59 HydrophobicContact CE1-CG1 4.33Å; F48-I59 HydrophobicContact CE1-CG2 3.95Å; S55-I59 WeakPolarHBondContact O-CD1 3.33Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.32Å; R56-I59 PolarHBondContact O-N 2.96Å; I59-K62 WeakPolarHBondContact O-CB 3.46Å; I59-K62 WeakPolarHBondContact O-CG 3.49Å; I59-K62 PolarHBondContact O-N 3.45Å
60M87.3Confident89.2Confident68 Ų6856.8 Ų56.834%0.33530%0.298SS..THydrogen-bonded Turntrans-60.5146.1-178.9-72.3-75.8-71.700111.6I42 R56 K62I42-M60 WeakPolarHBondContact O-CE 3.36Å; R56-M60 HydrophobicContact CG-CG 3.96Å; R56-M60 WeakPolarHBondContact O-CB 3.29Å; R56-M60 WeakPolarHBondContact O-CG 3.49Å; R56-M60 PolarHBondContact O-N 2.99Å; M60-K62 PolarHBondContact O-N 2.89Å
61Q84.8Confident89.2Confident170 Ų17051 Ų5179%0.79428%0.279SS*.THydrogen-bonded Turntrans61.8-0-176.4-54.7-179.2-9.900116.1I41I41-Q61 PolarHBondContact O-N 3.17Å
62K88.4Confident89Confident97 Ų9756.2 Ų56.242%0.42231%0.313SS..SBendtrans-71.4155.2169.2-59.3-60.8-177.7-177.10111.1A40 I41 E58 I59 M60 F68A40-K62 WeakPolarHBondContact CA-O 3.45Å; I41-K62 HydrophobicContact CD1-CB 4.34Å; I41-K62 WeakPolarHBondContact CG1-O 3.47Å; I41-K62 PolarHBondContact N-O 2.9Å; E58-K62 WeakPolarHBondContact O-CE 3.41Å; E58-K62 VanDerWaalsContact O-CG 3.22Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; I59-K62 WeakPolarHBondContact O-CB 3.46Å; I59-K62 WeakPolarHBondContact O-CG 3.49Å; I59-K62 PolarHBondContact O-N 3.45Å; M60-K62 PolarHBondContact O-N 2.89Å; K62-F68 HydrophobicContact CB-CD1 4.2Å; K62-F68 HydrophobicContact CB-CE1 3.78Å; K62-F68 HydrophobicContact CG-CD1 4.27Å; K62-F68 HydrophobicContact CG-CE1 4.07Å
63P89.3Confident88.8Confident42 Ų4260.5 Ų60.527%0.27334%0.336SS..BIsolated β-bridgetrans-66.2139173.128-35.4000111.2N38 T65 C66N38-P63 HydrophobicContact CB-CB 4.35Å; N38-P63 WeakPolarHBondContact O-CA 3.31Å; N38-P63 WeakPolarHBondContact O-CB 3.35Å; P63-T65 PolarHBondContact O-N 2.81Å; P63-T65 VanDerWaalsContact O-N 3.13Å; P63-C66 PolarHBondContact O-N 3.48Å
64C87.8Confident88.8Confident2 Ų259.3 Ų59.31%0.01432%0.321CS..THydrogen-bonded Turntrans-70.4-3.9-177.364.50000115.8A32 C39 I41 C66 L127A32-C64 HydrophobicContact CB-CB 3.36Å; C39-C64 WeakPolarHBondContact CB-SG 3.47Å; C39-C64 VanDerWaalsContact O-CB 3.31Å; C39-C64 WeakPolarHBondContact O-CB 3.4Å; C39-C64 PolarHBondContact O-N 2.87Å; C39-C64 VanDerWaalsContact O-N 3.11Å; C39-C64 PolarHBondContact O-SG 3.07Å; I41-C64 HydrophobicContact CG1-CB 4.16Å; C64-C66 PolarHBondContact O-N 2.85Å; C64-L127 HydrophobicContact CB-CD1 4.16Å; C64-L127 VanDerWaalsContact O-CD2 3.3Å; C64-L127 WeakPolarHBondContact O-CD2 3.31Å
65T88.4Confident88.8Confident35 Ų3563.2 Ų63.222%0.21534%0.339CS..THydrogen-bonded Turntrans-63.8-16.3163.456.40000112.2P63 N67 Y70 L86P63-T65 PolarHBondContact O-N 2.81Å; P63-T65 VanDerWaalsContact O-N 3.13Å; T65-N67 VanDerWaalsContact C-N 3.33Å; T65-N67 VanDerWaalsContact CB-OD1 3.27Å; T65-N67 WeakPolarHBondContact CB-OD1 3.18Å; T65-N67 PolarHBondContact O-N 3.42Å; T65-N67 PolarHBondContact OG1-OD1 2.95Å; T65-Y70 PolarHBondContact O-OH 2.97Å; T65-L86 HydrophobicContact CG2-CD1 3.75Å
66C89.1Confident88.6Confident6 Ų671.2 Ų71.24%0.04136%0.361CS..  trans57.938.2177.1-65.40000114.2P63 C64 F68 L69P63-C66 PolarHBondContact O-N 3.48Å; C64-C66 PolarHBondContact O-N 2.85Å; C66-F68 HydrophobicContact CB-CE1 4.26Å; C66-F68 HydrophobicContact CB-CZ 4.46Å; C66-F68 PolarHBondContact O-N 3.13Å; C66-L69 HydrophobicContact CB-CD1 4.07Å; C66-L69 HydrophobicContact CB-CG 4.32Å; C66-L69 WeakPolarHBondContact O-CB 3.36Å; C66-L69 PolarHBondContact O-N 3.28Å
67N87.8Confident88.7Confident93 Ų9372.5 Ų72.550%0.49737%0.374SS..G310 helixtrans-51.1-25.3-179.2-62.2-0.8000114.6T65 L69 Y70T65-N67 VanDerWaalsContact C-N 3.33Å; T65-N67 VanDerWaalsContact CB-OD1 3.27Å; T65-N67 WeakPolarHBondContact CB-OD1 3.18Å; T65-N67 PolarHBondContact O-N 3.42Å; T65-N67 PolarHBondContact OG1-OD1 2.95Å; N67-L69 PolarHBondContact O-N 3.01Å; N67-Y70 HydrophobicContact CB-CD2 4.35Å; N67-Y70 HydrophobicContact CB-CE2 4.33Å; N67-Y70 PolarHBondContact O-N 2.65Å
68F89.8Confident88.7Confident53 Ų5368.3 Ų68.323%0.23234%0.34CS..G310 helixtrans-73.7-817861.1-89.4000114.1Y54 K62 C66Y54-F68 HydrophobicContact CD2-CD2 4.27Å; Y54-F68 HydrophobicContact CD2-CE2 4.32Å; Y54-F68 HydrophobicContact CE2-CD2 4.16Å; K62-F68 HydrophobicContact CB-CD1 4.2Å; K62-F68 HydrophobicContact CB-CE1 3.78Å; K62-F68 HydrophobicContact CG-CD1 4.27Å; K62-F68 HydrophobicContact CG-CE1 4.07Å; C66-F68 HydrophobicContact CB-CE1 4.26Å; C66-F68 HydrophobicContact CB-CZ 4.46Å; C66-F68 PolarHBondContact O-N 3.13Å
69L91.4Very high88.8Confident4 Ų467.3 Ų67.32%0.02134%0.336CS..G310 helixtrans-101.34.4173.8-56.1-177.3000112.8F48 C52 Y54 C66 N67 L98 Y99F48-L69 HydrophobicContact CE2-CD1 4.49Å; F48-L69 HydrophobicContact CZ-CD1 4.07Å; C52-L69 HydrophobicContact CB-CD1 4.47Å; C52-L69 HydrophobicContact CB-CD2 3.72Å; Y54-L69 HydrophobicContact CD2-CD2 4.02Å; Y54-L69 HydrophobicContact CE2-CD2 3.76Å; C66-L69 HydrophobicContact CB-CD1 4.07Å; C66-L69 HydrophobicContact CB-CG 4.32Å; C66-L69 WeakPolarHBondContact O-CB 3.36Å; C66-L69 PolarHBondContact O-N 3.28Å; N67-L69 PolarHBondContact O-N 3.01Å; L69-L98 HydrophobicContact CB-CB 4.3Å; L69-L98 HydrophobicContact CB-CD2 4.04Å; L69-L98 HydrophobicContact CD1-CD1 4.25Å; L69-L98 CarbonylContact O-C 3.58Å; L69-L98 WeakPolarHBondContact O-CA 3.36Å; L69-Y99 WeakPolarHBondContact CD2-O 3.47Å; L69-Y99 PolarHBondContact O-N 2.87Å
70Y91.5Very high88.7Confident54 Ų5470.1 Ų70.121%0.21236%0.359CS..  trans-88.1145.8179.8-60.6-13.9000111.4T65 N67 T74 I79 I96 L98T65-Y70 PolarHBondContact O-OH 2.97Å; N67-Y70 HydrophobicContact CB-CD2 4.35Å; N67-Y70 HydrophobicContact CB-CE2 4.33Å; N67-Y70 PolarHBondContact O-N 2.65Å; Y70-T74 HydrophobicContact CD1-CG2 3.91Å; Y70-T74 HydrophobicContact CE1-CG2 4.47Å; Y70-T74 HydrophobicContact CG-CG2 4.11Å; Y70-I79 HydrophobicContact CD2-CD1 3.8Å; Y70-I79 HydrophobicContact CD2-CG1 4.22Å; Y70-I79 HydrophobicContact CE1-CG1 4.43Å; Y70-I79 HydrophobicContact CE2-CB 4.41Å; Y70-I79 HydrophobicContact CE2-CD1 3.89Å; Y70-I79 HydrophobicContact CE2-CG1 3.87Å; Y70-I79 HydrophobicContact CE2-CG2 3.73Å; Y70-I79 HydrophobicContact CG-CD1 4.33Å; Y70-I96 HydrophobicContact CD1-CD1 4.39Å; Y70-I96 HydrophobicContact CE1-CD1 3.8Å; Y70-L98 HydrophobicContact CD1-CD2 4.28Å; Y70-L98 HydrophobicContact CE1-CD2 4.4Å
71G89.5Confident88.9Confident27 Ų2771 Ų7128%0.27836%0.362SS..  trans-151.9-165.8177.100000112D73 T74 Y99G71-D73 PolarHBondContact O-N 3.34Å; G71-T74 PolarHBondContact N-OG1 2.92Å; G71-T74 VanDerWaalsContact O-CB 3.31Å; G71-T74 WeakPolarHBondContact O-CB 3.31Å; G71-T74 PolarHBondContact O-N 2.87Å; G71-T74 VanDerWaalsContact O-N 3.1Å; G71-T74 PolarHBondContact O-OG1 3.34Å; G71-Y99 VanDerWaalsContact CA-CD2 3.44Å; G71-Y99 VanDerWaalsContact N-CD2 3.33Å
72P86.1Confident89.1Confident122 Ų12263.2 Ų63.279%0.79233%0.326SS*.THydrogen-bonded Turntrans-60.1-37.2-167.118.9-30.5000115T74 Y99P72-T74 VanDerWaalsContact C-N 3.29Å; P72-T74 PolarHBondContact O-N 3.38Å; P72-Y99 WeakPolarHBondContact CD-OH 3.48Å; P72-Y99 HydrophobicContact CG-CE1 4.46Å; P72-Y99 WeakPolarHBondContact CG-OH 3.48Å
73D85.7Confident89.1Confident94 Ų9460.5 Ų60.550%0.50332%0.322SS..THydrogen-bonded Turntrans-85.83.2-178.9-52.6-53.7000113.2G71 K75 N97 Y99G71-D73 PolarHBondContact O-N 3.34Å; D73-K75 PolarHBondContact O-N 2.9Å; D73-K75 VanDerWaalsContact O-N 3.09Å; D73-N97 HydrophobicContact CB-CB 4.48Å; D73-N97 PolarHBondContact O-ND2 2.94Å; D73-Y99 WeakPolarHBondContact CB-OH 3.49Å; D73-Y99 PolarHBondContact N-OH 3.32Å; D73-Y99 PolarHBondContact OD2-OH 3.47Å
74T90.3Very high89.1Confident12 Ų1263.9 Ų63.97%0.07433%0.334CS..  trans-7697.3178.8-52.20000110.5Y70 G71 P72 R76 I79 I96 N97Y70-T74 HydrophobicContact CD1-CG2 3.91Å; Y70-T74 HydrophobicContact CE1-CG2 4.47Å; Y70-T74 HydrophobicContact CG-CG2 4.11Å; G71-T74 PolarHBondContact N-OG1 2.92Å; G71-T74 VanDerWaalsContact O-CB 3.31Å; G71-T74 WeakPolarHBondContact O-CB 3.31Å; G71-T74 PolarHBondContact O-N 2.87Å; G71-T74 VanDerWaalsContact O-N 3.1Å; G71-T74 PolarHBondContact O-OG1 3.34Å; P72-T74 VanDerWaalsContact C-N 3.29Å; P72-T74 PolarHBondContact O-N 3.38Å; T74-R76 PolarHBondContact O-N 2.87Å; T74-I79 HydrophobicContact CG2-CD1 3.82Å; T74-I79 HydrophobicContact CG2-CG1 3.77Å; T74-I96 HydrophobicContact CG2-CD1 3.86Å; T74-I96 HydrophobicContact CG2-CG1 3.85Å; T74-N97 WeakPolarHBondContact CG2-O 3.43Å; T74-N97 PolarHBondContact OG1-O 3.44Å
75K91Very high89.1Confident133 Ų13363.8 Ų63.858%0.57833%0.333SS*.  trans-51.8123.6179.7-62.8171.9-173.2163.90111.7D73 L77 A78 I79D73-K75 PolarHBondContact O-N 2.9Å; D73-K75 VanDerWaalsContact O-N 3.09Å; K75-L77 PolarHBondContact O-N 2.82Å; K75-L77 VanDerWaalsContact O-N 3.08Å; K75-A78 HydrophobicContact CB-CB 4.37Å; K75-A78 WeakPolarHBondContact O-CB 3.42Å; K75-A78 PolarHBondContact O-N 3.37Å; K75-I79 PolarHBondContact O-N 2.93Å
76R88.3Confident89.1Confident225 Ų22562.8 Ų62.885%0.84933%0.327SS*.Hα-helixtrans-53.8-31.9176.7-66.4-175.1-178.5-177.20.8113.6T74 I79 A80T74-R76 PolarHBondContact O-N 2.87Å; R76-I79 PolarHBondContact O-N 3.01Å; R76-A80 PolarHBondContact O-N 2.83Å
77L89.9Confident89Confident122 Ų12270 Ų7064%0.63936%0.364SS*.Hα-helixtrans-63.1-41.1175-175.664.6000112.5K75 A80 Q81K75-L77 PolarHBondContact O-N 2.82Å; K75-L77 VanDerWaalsContact O-N 3.08Å; L77-A80 PolarHBondContact O-N 2.93Å; L77-Q81 WeakPolarHBondContact O-CG 3.35Å; L77-Q81 PolarHBondContact O-N 3.47Å
78A87.6Confident88.7Confident4 Ų466.2 Ų66.23%0.03335%0.347CS..Hα-helixtrans-68.8-36.817800000111.6K75 Q81 M82 V94 E95 I96K75-A78 HydrophobicContact CB-CB 4.37Å; K75-A78 WeakPolarHBondContact O-CB 3.42Å; K75-A78 PolarHBondContact O-N 3.37Å; A78-Q81 PolarHBondContact O-N 2.67Å; A78-M82 WeakPolarHBondContact O-CB 3.37Å; A78-M82 PolarHBondContact O-N 2.89Å; A78-V94 HydrophobicContact CB-CG1 4.29Å; A78-E95 WeakPolarHBondContact CB-O 3.45Å; A78-I96 HydrophobicContact CB-CB 4.13Å; A78-I96 HydrophobicContact CB-CD1 4.21Å; A78-I96 HydrophobicContact CB-CG1 4.06Å
79I90.3Very high88.3Confident51 Ų5166.7 Ų66.726%0.26236%0.357SS..Hα-helixtrans-62-43.6172.7-58.4174.6000110.6Y70 T74 K75 R76 M82 A83 I96Y70-I79 HydrophobicContact CD2-CD1 3.8Å; Y70-I79 HydrophobicContact CD2-CG1 4.22Å; Y70-I79 HydrophobicContact CE1-CG1 4.43Å; Y70-I79 HydrophobicContact CE2-CB 4.41Å; Y70-I79 HydrophobicContact CE2-CD1 3.89Å; Y70-I79 HydrophobicContact CE2-CG1 3.87Å; Y70-I79 HydrophobicContact CE2-CG2 3.73Å; Y70-I79 HydrophobicContact CG-CD1 4.33Å; T74-I79 HydrophobicContact CG2-CD1 3.82Å; T74-I79 HydrophobicContact CG2-CG1 3.77Å; K75-I79 PolarHBondContact O-N 2.93Å; R76-I79 PolarHBondContact O-N 3.01Å; I79-M82 WeakPolarHBondContact O-CB 3.22Å; I79-M82 PolarHBondContact O-N 3.28Å; I79-A83 PolarHBondContact O-N 3Å; I79-I96 HydrophobicContact CG1-CD1 4.46Å
80A89.5Confident88Confident58 Ų5871.8 Ų71.848%0.47938%0.381SS..Hα-helixtrans-64.8-40.417600000112.4R76 L77 A83 Q84R76-A80 PolarHBondContact O-N 2.83Å; L77-A80 PolarHBondContact O-N 2.93Å; A80-A83 PolarHBondContact O-N 3.36Å; A80-Q84 WeakPolarHBondContact O-CB 3.33Å; A80-Q84 PolarHBondContact O-N 3.33Å
81Q89.9Confident87.8Confident86 Ų8675 Ų7540%0.40240%0.398SS..Hα-helixtrans-64.2-40174.4-73.9169.1-26.500112.2L77 A78 Q84 A85 V94L77-Q81 WeakPolarHBondContact O-CG 3.35Å; L77-Q81 PolarHBondContact O-N 3.47Å; A78-Q81 PolarHBondContact O-N 2.67Å; Q81-Q84 PolarHBondContact O-N 3.23Å; Q81-A85 WeakPolarHBondContact O-CB 3.43Å; Q81-A85 PolarHBondContact O-N 2.93Å; Q81-V94 HydrophobicContact CB-CG1 4.02Å; Q81-V94 HydrophobicContact CB-CG2 4.19Å
82M89.9Confident87.8Confident7 Ų777.4 Ų77.43%0.03440%0.398CS..Hα-helixtrans-61-49174.1-170.170.668.500111.6A78 I79 Q84 A85 L86 V94 I96 V110 V112A78-M82 WeakPolarHBondContact O-CB 3.37Å; A78-M82 PolarHBondContact O-N 2.89Å; I79-M82 WeakPolarHBondContact O-CB 3.22Å; I79-M82 PolarHBondContact O-N 3.28Å; M82-Q84 VanDerWaalsContact C-N 3.32Å; M82-Q84 PolarHBondContact O-N 2.98Å; M82-A85 PolarHBondContact O-N 2.98Å; M82-L86 HydrophobicContact CG-CD1 4.29Å; M82-L86 WeakPolarHBondContact O-CG 3.2Å; M82-L86 PolarHBondContact O-N 3.13Å; M82-V94 HydrophobicContact CE-CB 4.21Å; M82-V94 HydrophobicContact CE-CG1 4.25Å; M82-I96 HydrophobicContact CE-CD1 4.23Å; M82-I96 HydrophobicContact CE-CG2 3.95Å; M82-V110 HydrophobicContact CE-CB 3.79Å; M82-V110 HydrophobicContact CE-CG1 3.89Å; M82-V110 HydrophobicContact CE-CG2 3.99Å; M82-V110 HydrophobicContact SD-CG1 4.11Å; M82-V112 HydrophobicContact SD-CG2 3.95Å
83A89.1Confident88.1Confident40 Ų4077.4 Ų77.433%0.33139%0.386SS..Hα-helixtrans-61.6-40.1176.200000111.8I79 A80 A85 L86 L87I79-A83 PolarHBondContact O-N 3Å; A80-A83 PolarHBondContact O-N 3.36Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.11Å; A83-L86 PolarHBondContact O-N 3.49Å; A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 2.93Å
84Q88.3Confident88.3Confident113 Ų11373.2 Ų73.253%0.52836%0.364SS..Hα-helixtrans-67.7-32.5176.1-162.9-171.41800112.8A80 Q81 M82 L87 G88A80-Q84 WeakPolarHBondContact O-CB 3.33Å; A80-Q84 PolarHBondContact O-N 3.33Å; Q81-Q84 PolarHBondContact O-N 3.23Å; M82-Q84 VanDerWaalsContact C-N 3.32Å; M82-Q84 PolarHBondContact O-N 2.98Å; Q84-L87 PolarHBondContact O-N 2.88Å; Q84-G88 PolarHBondContact O-N 3.32Å
85A88.2Confident88.4Confident0 Ų076.6 Ų76.60%038%0.379CS..Hα-helixtrans-67.9-40.6173.900000111.9Q81 M82 A83 L87 G88 R92 V112Q81-A85 WeakPolarHBondContact O-CB 3.43Å; Q81-A85 PolarHBondContact O-N 2.93Å; M82-A85 PolarHBondContact O-N 2.98Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.29Å; A85-L87 PolarHBondContact O-N 3.03Å; A85-G88 WeakPolarHBondContact O-CA 3.42Å; A85-G88 PolarHBondContact O-N 3.43Å; A85-R92 HydrophobicContact CB-CB 3.93Å; A85-V112 HydrophobicContact CB-CB 4.09Å; A85-V112 HydrophobicContact CB-CG1 4.13Å; A85-V112 HydrophobicContact CB-CG2 4.17Å
86L87.7Confident88.4Confident15 Ų1570.3 Ų70.38%0.07935%0.352CS..Hα-helixtrans-75.6-13.5177.2-65.6169000114.1T65 M82 A83 V112 F125 L127T65-L86 HydrophobicContact CG2-CD1 3.75Å; M82-L86 HydrophobicContact CG-CD1 4.29Å; M82-L86 WeakPolarHBondContact O-CG 3.2Å; M82-L86 PolarHBondContact O-N 3.13Å; A83-L86 PolarHBondContact O-N 3.49Å; L86-V112 HydrophobicContact CD2-CG1 3.84Å; L86-V112 HydrophobicContact CG-CG1 4.46Å; L86-F125 HydrophobicContact CD2-CB 4.13Å; L86-F125 HydrophobicContact CD2-CD1 3.98Å; L86-F125 HydrophobicContact CD2-CD2 4.1Å; L86-F125 HydrophobicContact CD2-CE1 4.41Å; L86-F125 HydrophobicContact CD2-CG 3.81Å; L86-F125 WeakPolarHBondContact O-CZ 3.49Å; L86-L127 HydrophobicContact CD2-CD1 4.31Å; L86-L127 HydrophobicContact CD2-CD2 4.48Å
87L86.5Confident88.6Confident156 Ų15661.3 Ų61.382%0.81732%0.32SS*.THydrogen-bonded Turntrans-94.7-8.1165-67.1170.3000112.5A83 Q84 A85A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 2.93Å; Q84-L87 PolarHBondContact O-N 2.88Å; A85-L87 VanDerWaalsContact C-N 3.29Å; A85-L87 PolarHBondContact O-N 3.03Å
88G81.3Confident88.7Confident15 Ų1555.9 Ų55.916%0.15529%0.292CS..  trans-85.8166.2-177.200000113.2Q84 A85Q84-G88 PolarHBondContact O-N 3.32Å; A85-G88 WeakPolarHBondContact O-CA 3.42Å; A85-G88 PolarHBondContact O-N 3.43Å
89S81.5Confident88.9Confident62 Ų6257.1 Ų57.143%0.43430%0.296SS..SBendtrans-114.315.9171.493.90000112.8K116S89-K116 WeakPolarHBondContact O-CE 2.95Å; S89-K116 PolarHBondContact O-NZ 2.64Å; S89-K116 PolarHBondContact OG-NZ 2.9Å
90E85Confident89Confident112 Ų11258.3 Ų58.352%0.52330%0.297SS..SBendtrans-121149.7-175.1-60173.7139.100110.2R92E90-R92 PolarHBondContact O-N 2.91Å; E90-R92 IonicContact OE2-CZ 2.69Å; E90-R92 IonicContact OE2-NE 2.74Å; E90-R92 IonicContact OE2-NH2 3.85Å; E90-R92 PolarHBondContact OE2-NH2 2.85Å
91E87.9Confident89Confident120 Ų12060.3 Ų60.356%0.56130%0.295SS*.  trans-64.8128.2170.9-177.5176132.800110V112 V113E91-V112 WeakPolarHBondContact CA-O 3.41Å; E91-V113 HydrophobicContact CG-CG2 4.25Å
92R89.9Confident88.9Confident78 Ų7861.2 Ų61.229%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-140.4134.2-179.8-65.7-172.3-178.3-163.2-1.8111.5A85 E90 V112A85-R92 HydrophobicContact CB-CB 3.93Å; E90-R92 PolarHBondContact O-N 2.91Å; E90-R92 IonicContact OE2-CZ 2.69Å; E90-R92 IonicContact OE2-NE 2.74Å; E90-R92 IonicContact OE2-NH2 3.85Å; E90-R92 PolarHBondContact OE2-NH2 2.85Å; R92-V112 PolarHBondContact N-O 2.88Å; R92-V112 VanDerWaalsContact N-O 3.13Å; R92-V112 PolarHBondContact O-N 3.15Å
93K91.9Very high88.6Confident122 Ų12263.3 Ų63.353%0.5333%0.326SS..EExtended strand (participates in β ladder)trans-102.6130.1175.5-55.7-167.4-169.1-133.50109.6M109 V110 D111K93-M109 HydrophobicContact CB-CG 4.42Å; K93-M109 HydrophobicContact CB-SD 3.85Å; K93-V110 CarbonylContact C-O 3.59Å; K93-V110 WeakPolarHBondContact CA-O 3.5Å; K93-D111 WeakPolarHBondContact CE-OD1 3.5Å; K93-D111 WeakPolarHBondContact CE-OD2 3.36Å; K93-D111 HydrophobicContact CG-CB 4.32Å; K93-D111 WeakPolarHBondContact CG-OD1 3.47Å; K93-D111 IonicContact NZ-OD1 3.63Å; K93-D111 IonicContact NZ-OD2 2.71Å; K93-D111 PolarHBondContact NZ-OD2 3.45Å
94V91Very high88.6Confident6 Ų666.5 Ų66.54%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-127118.2-176.5-176.10000108.9A78 Q81 M82 V110A78-V94 HydrophobicContact CB-CG1 4.29Å; Q81-V94 HydrophobicContact CB-CG1 4.02Å; Q81-V94 HydrophobicContact CB-CG2 4.19Å; M82-V94 HydrophobicContact CE-CB 4.21Å; M82-V94 HydrophobicContact CE-CG1 4.25Å; V94-V110 PolarHBondContact N-O 3.04Å; V94-V110 PolarHBondContact O-N 2.98Å
95E91.9Very high88.6Confident83 Ų8363.7 Ų63.739%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-77.7120.5171.6-174.6-170.1-155.600109.2A78 L107 M109A78-E95 WeakPolarHBondContact CB-O 3.45Å; E95-L107 HydrophobicContact CG-CD1 3.76Å; E95-M109 HydrophobicContact CB-CE 3.95Å; E95-M109 HydrophobicContact CB-SD 4.4Å; E95-M109 HydrophobicContact CG-CE 4.43Å
96I91.8Very high88.7Confident2 Ų264.8 Ų64.81%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-145.6134.8-175.5-171.8165.2000112.2Y70 T74 A78 I79 M82 L98 C108 V110Y70-I96 HydrophobicContact CD1-CD1 4.39Å; Y70-I96 HydrophobicContact CE1-CD1 3.8Å; T74-I96 HydrophobicContact CG2-CD1 3.86Å; T74-I96 HydrophobicContact CG2-CG1 3.85Å; A78-I96 HydrophobicContact CB-CB 4.13Å; A78-I96 HydrophobicContact CB-CD1 4.21Å; A78-I96 HydrophobicContact CB-CG1 4.06Å; I79-I96 HydrophobicContact CG1-CD1 4.46Å; M82-I96 HydrophobicContact CE-CD1 4.23Å; M82-I96 HydrophobicContact CE-CG2 3.95Å; I96-L98 HydrophobicContact CD1-CD2 4.11Å; I96-L98 HydrophobicContact CG1-CD2 3.96Å; I96-L98 HydrophobicContact CG2-CD1 4.38Å; I96-L98 HydrophobicContact CG2-CD2 3.94Å; I96-L98 HydrophobicContact CG2-CG 4.04Å; I96-L98 PolarHBondContact O-N 3.49Å; I96-C108 PolarHBondContact N-O 2.83Å; I96-C108 PolarHBondContact O-N 2.87Å; I96-V110 HydrophobicContact CG2-CG2 3.63Å
97N91.4Very high88.8Confident36 Ų3666.1 Ų66.119%0.19334%0.339CS..EExtended strand (participates in β ladder)trans-75.9116.5168.8-69.4-20.3000108.7D73 T74 L107D73-N97 HydrophobicContact CB-CB 4.48Å; D73-N97 PolarHBondContact O-ND2 2.94Å; T74-N97 WeakPolarHBondContact CG2-O 3.43Å; T74-N97 PolarHBondContact OG1-O 3.44Å; N97-L107 WeakPolarHBondContact OD1-CD1 3.32Å
98L91.8Very high88.9Confident7 Ų758.7 Ų58.74%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-111.3163.3176.3-59179.4000110L69 Y70 I96 C105 L106 C108 V110 F129L69-L98 HydrophobicContact CB-CB 4.3Å; L69-L98 HydrophobicContact CB-CD2 4.04Å; L69-L98 HydrophobicContact CD1-CD1 4.25Å; L69-L98 CarbonylContact O-C 3.58Å; L69-L98 WeakPolarHBondContact O-CA 3.36Å; Y70-L98 HydrophobicContact CD1-CD2 4.28Å; Y70-L98 HydrophobicContact CE1-CD2 4.4Å; I96-L98 HydrophobicContact CD1-CD2 4.11Å; I96-L98 HydrophobicContact CG1-CD2 3.96Å; I96-L98 HydrophobicContact CG2-CD1 4.38Å; I96-L98 HydrophobicContact CG2-CD2 3.94Å; I96-L98 HydrophobicContact CG2-CG 4.04Å; I96-L98 PolarHBondContact O-N 3.49Å; L98-C105 CarbonylContact O-C 3.56Å; L98-C105 WeakPolarHBondContact O-CA 3.09Å; L98-L106 HydrophobicContact CB-CD1 4Å; L98-L106 HydrophobicContact CB-CG 4.32Å; L98-L106 PolarHBondContact N-O 2.81Å; L98-L106 PolarHBondContact O-N 3.4Å; L98-C108 HydrophobicContact CD1-CB 3.88Å; L98-C108 HydrophobicContact CG-CB 4.38Å; L98-V110 HydrophobicContact CD1-CG2 4.4Å; L98-F129 HydrophobicContact CD1-CD1 4.08Å; L98-F129 HydrophobicContact CD1-CE1 4.13Å
99Y92.1Very high89.4Confident31 Ų3159.5 Ų59.512%0.12230%0.3CS..EExtended strand (participates in β ladder)trans-122.1141.1177.5-69.4-100.1000111.2L69 G71 P72 D73 Q104 C105L69-Y99 WeakPolarHBondContact CD2-O 3.47Å; L69-Y99 PolarHBondContact O-N 2.87Å; G71-Y99 VanDerWaalsContact CA-CD2 3.44Å; G71-Y99 VanDerWaalsContact N-CD2 3.33Å; P72-Y99 WeakPolarHBondContact CD-OH 3.48Å; P72-Y99 HydrophobicContact CG-CE1 4.46Å; P72-Y99 WeakPolarHBondContact CG-OH 3.48Å; D73-Y99 WeakPolarHBondContact CB-OH 3.49Å; D73-Y99 PolarHBondContact N-OH 3.32Å; D73-Y99 PolarHBondContact OD2-OH 3.47Å; Y99-Q104 WeakPolarHBondContact CA-O 3.27Å; Y99-C105 HydrophobicContact CD1-CB 4.01Å; Y99-C105 HydrophobicContact CE1-CB 3.57Å
100R91.8Very high90Very high76 Ų7656.5 Ų56.529%0.28728%0.28SS..  trans-75.4159.5168-97.2163.1169.5-158-19.5111.9H50 L51 C52 D102 G103 Q104 L106H50-R100 PolarHBondContact O-NH2 3Å; H50-R100 VanDerWaalsContact O-NH2 3.07Å; L51-R100 WeakPolarHBondContact O-CG 3.48Å; L51-R100 PolarHBondContact O-NE 3.28Å; C52-R100 WeakPolarHBondContact O-CA 3.4Å; R100-D102 WeakPolarHBondContact CB-OD1 3.49Å; R100-D102 WeakPolarHBondContact CB-OD2 3.24Å; R100-D102 WeakPolarHBondContact CD-OD2 3.36Å; R100-D102 PolarHBondContact O-N 2.88Å; R100-G103 WeakPolarHBondContact O-CA 3.06Å; R100-G103 PolarHBondContact O-N 3.26Å; R100-Q104 HydrophobicContact CB-CB 4.22Å; R100-Q104 PolarHBondContact N-O 2.79Å; R100-L106 HydrophobicContact CB-CD2 4.4Å; R100-L106 HydrophobicContact CG-CD2 3.65Å
101K90.1Very high90.3Very high99 Ų9951.9 Ų51.943%0.4326%0.258SS..THydrogen-bonded Turntrans-55.7-34170.9-165.7175.5-169176.30112.6C52 G53 Y54 E58 G103C52-K101 PolarHBondContact O-N 3.01Å; G53-K101 WeakPolarHBondContact O-CD 3.47Å; Y54-K101 HydrophobicContact CD1-CB 4.45Å; Y54-K101 HydrophobicContact CD1-CD 3.82Å; Y54-K101 HydrophobicContact CD1-CG 4.15Å; Y54-K101 HydrophobicContact CD2-CB 4.03Å; Y54-K101 HydrophobicContact CE1-CB 4.17Å; Y54-K101 HydrophobicContact CE1-CD 3.96Å; Y54-K101 HydrophobicContact CE1-CG 3.8Å; Y54-K101 HydrophobicContact CE2-CB 3.71Å; Y54-K101 HydrophobicContact CE2-CG 4.28Å; Y54-K101 HydrophobicContact CG-CB 4.38Å; Y54-K101 HydrophobicContact CG-CD 4.19Å; E58-K101 WeakPolarHBondContact OE1-CE 3.48Å; E58-K101 IonicContact OE1-NZ 4Å; E58-K101 PolarHBondContact OE1-NZ 3.09Å; E58-K101 IonicContact OE2-NZ 3.88Å; E58-K101 PolarHBondContact OE2-NZ 2.87Å; K101-G103 VanDerWaalsContact C-N 3.27Å; K101-G103 PolarHBondContact O-N 2.66Å
102D88.6Confident90.5Very high105 Ų10546.1 Ų46.156%0.56123%0.232SC*.THydrogen-bonded Turntrans-80.88.8173.541.8-73.4000114.4R100 Q104R100-D102 WeakPolarHBondContact CB-OD1 3.49Å; R100-D102 WeakPolarHBondContact CB-OD2 3.24Å; R100-D102 WeakPolarHBondContact CD-OD2 3.36Å; R100-D102 PolarHBondContact O-N 2.88Å; D102-Q104 VanDerWaalsContact C-N 3.3Å; D102-Q104 PolarHBondContact O-N 3.26Å
103G84Confident90.6Very high52 Ų5244.3 Ų44.354%0.53623%0.229SC..  trans82.4-6.7171.700000115.7R100 K101 C105R100-G103 WeakPolarHBondContact O-CA 3.06Å; R100-G103 PolarHBondContact O-N 3.26Å; K101-G103 VanDerWaalsContact C-N 3.27Å; K101-G103 PolarHBondContact O-N 2.66Å; G103-C105 PolarHBondContact O-N 2.67Å
104Q88.3Confident90.5Very high106 Ų10639.3 Ų39.350%0.49521%0.209SC..  trans-65.7124.1176.9-173.4179.636.500111.3Y99 R100 D102Y99-Q104 WeakPolarHBondContact CA-O 3.27Å; R100-Q104 HydrophobicContact CB-CB 4.22Å; R100-Q104 PolarHBondContact N-O 2.79Å; D102-Q104 VanDerWaalsContact C-N 3.3Å; D102-Q104 PolarHBondContact O-N 3.26Å
105C88.3Confident90.3Very high55 Ų5540.5 Ų40.537%0.37222%0.216SC..EExtended strand (participates in β ladder)trans-74.7139.2170.3-169.40000110.4L98 Y99 G103L98-C105 CarbonylContact O-C 3.56Å; L98-C105 WeakPolarHBondContact O-CA 3.09Å; Y99-C105 HydrophobicContact CD1-CB 4.01Å; Y99-C105 HydrophobicContact CE1-CB 3.57Å; G103-C105 PolarHBondContact O-N 2.67Å
106L89.2Confident89.9Confident22 Ų2241 Ų4112%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-142.5131-179.859.7102.2000111.6L51 L98 R100 C108L51-L106 HydrophobicContact CD1-CD1 4.31Å; L98-L106 HydrophobicContact CB-CD1 4Å; L98-L106 HydrophobicContact CB-CG 4.32Å; L98-L106 PolarHBondContact N-O 2.81Å; L98-L106 PolarHBondContact O-N 3.4Å; R100-L106 HydrophobicContact CB-CD2 4.4Å; R100-L106 HydrophobicContact CG-CD2 3.65Å; L106-C108 HydrophobicContact CD1-CB 4.24Å; L106-C108 WeakPolarHBondContact CD1-SG 3.24Å; L106-C108 PolarHBondContact O-N 3.21Å
107L89.8Confident89.4Confident44 Ų4443.9 Ų43.923%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-80.7113.5176.5-177.863.5000109.5E95 N97 M132E95-L107 HydrophobicContact CG-CD1 3.76Å; N97-L107 WeakPolarHBondContact OD1-CD1 3.32Å; L107-M132 HydrophobicContact CB-CB 4.44Å; L107-M132 HydrophobicContact CD2-CB 3.88Å; L107-M132 HydrophobicContact CD2-CG 4.42Å; L107-M132 HydrophobicContact CG-CB 3.97Å; L107-M132 HydrophobicContact CG-CG 4.28Å; L107-M132 PolarHBondContact O-N 3.36Å
108C90Very high88.6Confident0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-117.2135.9178.6-100.60000112I96 L98 L106 V110 E130I96-C108 PolarHBondContact N-O 2.83Å; I96-C108 PolarHBondContact O-N 2.87Å; L98-C108 HydrophobicContact CD1-CB 3.88Å; L98-C108 HydrophobicContact CG-CB 4.38Å; L106-C108 HydrophobicContact CD1-CB 4.24Å; L106-C108 WeakPolarHBondContact CD1-SG 3.24Å; L106-C108 PolarHBondContact O-N 3.21Å; C108-V110 HydrophobicContact CB-CG2 4.38Å; C108-E130 CarbonylContact C-O 3.41Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.28Å; C108-E130 PolarHBondContact SG-O 2.89Å; C108-E130 VanDerWaalsContact SG-O 3.37Å
109M92.3Very high87.6Confident31 Ų3156.3 Ų56.315%0.15329%0.293CS..EExtended strand (participates in β ladder)trans-86.3119.3158.6-171.361.465.200107.6K93 E95 E130 M132K93-M109 HydrophobicContact CB-CG 4.42Å; K93-M109 HydrophobicContact CB-SD 3.85Å; E95-M109 HydrophobicContact CB-CE 3.95Å; E95-M109 HydrophobicContact CB-SD 4.4Å; E95-M109 HydrophobicContact CG-CE 4.43Å; M109-E130 HydrophobicContact CB-CB 4.47Å; M109-E130 PolarHBondContact N-O 2.9Å; M109-E130 PolarHBondContact O-N 3.39Å; M109-M132 HydrophobicContact CB-CG 4.34Å; M109-M132 HydrophobicContact CB-SD 4.36Å; M109-M132 HydrophobicContact CE-SD 4.36Å
110V92.2Very high86.8Confident0 Ų056.8 Ų56.80%031%0.307CS..EExtended strand (participates in β ladder)trans-105.9119.2177.2-176.20000108.9M82 K93 V94 I96 L98 C108 V112 L127 N128 F129M82-V110 HydrophobicContact CE-CB 3.79Å; M82-V110 HydrophobicContact CE-CG1 3.89Å; M82-V110 HydrophobicContact CE-CG2 3.99Å; M82-V110 HydrophobicContact SD-CG1 4.11Å; K93-V110 CarbonylContact C-O 3.59Å; K93-V110 WeakPolarHBondContact CA-O 3.5Å; V94-V110 PolarHBondContact N-O 3.04Å; V94-V110 PolarHBondContact O-N 2.98Å; I96-V110 HydrophobicContact CG2-CG2 3.63Å; L98-V110 HydrophobicContact CD1-CG2 4.4Å; C108-V110 HydrophobicContact CB-CG2 4.38Å; V110-V112 HydrophobicContact CG1-CG2 4.16Å; V110-L127 HydrophobicContact CG1-CB 4.47Å; V110-L127 HydrophobicContact CG1-CD2 4.37Å; V110-N128 WeakPolarHBondContact CA-O 3.43Å; V110-F129 HydrophobicContact CG1-CD1 4.3Å; V110-F129 HydrophobicContact CG1-CE1 3.95Å; V110-F129 HydrophobicContact CG1-CZ 4.16Å; V110-F129 HydrophobicContact CG2-CD1 3.63Å; V110-F129 HydrophobicContact CG2-CE1 3.7Å
111D92.6Very high86.4Confident14 Ų1457 Ų578%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-102.3105.7-177.3-166.36.6000108.7K93 L127 N128K93-D111 WeakPolarHBondContact CE-OD1 3.5Å; K93-D111 WeakPolarHBondContact CE-OD2 3.36Å; K93-D111 HydrophobicContact CG-CB 4.32Å; K93-D111 WeakPolarHBondContact CG-OD1 3.47Å; K93-D111 IonicContact NZ-OD1 3.63Å; K93-D111 IonicContact NZ-OD2 2.71Å; K93-D111 PolarHBondContact NZ-OD2 3.45Å; D111-L127 WeakPolarHBondContact O-CA 3.39Å; D111-N128 HydrophobicContact CB-CB 4.27Å; D111-N128 PolarHBondContact N-O 3.19Å; D111-N128 PolarHBondContact O-N 3.2Å
112V92.3Very high86.1Confident0 Ų053.7 Ų53.70%031%0.305CS..EExtended strand (participates in β ladder)trans-96.8106.1-175-176.70000108.9M82 A85 L86 E91 R92 V110 P114 F125 L127M82-V112 HydrophobicContact SD-CG2 3.95Å; A85-V112 HydrophobicContact CB-CB 4.09Å; A85-V112 HydrophobicContact CB-CG1 4.13Å; A85-V112 HydrophobicContact CB-CG2 4.17Å; L86-V112 HydrophobicContact CD2-CG1 3.84Å; L86-V112 HydrophobicContact CG-CG1 4.46Å; E91-V112 WeakPolarHBondContact CA-O 3.41Å; R92-V112 PolarHBondContact N-O 2.88Å; R92-V112 VanDerWaalsContact N-O 3.13Å; R92-V112 PolarHBondContact O-N 3.15Å; V110-V112 HydrophobicContact CG1-CG2 4.16Å; V112-P114 WeakPolarHBondContact O-CD 3.48Å; V112-F125 HydrophobicContact CG1-CD1 4.01Å; V112-L127 HydrophobicContact CG2-CD2 4.46Å; V112-L127 HydrophobicContact CG2-CG 4.38Å
113V90.8Very high86Confident40 Ų4049.2 Ų49.224%0.24228%0.281CS..EExtended strand (participates in β ladder)trans-108.6106.8-176.7-172.70000110E91 V115 I126E91-V113 HydrophobicContact CG-CG2 4.25Å; V113-V115 PolarHBondContact O-N 3.23Å; V113-I126 HydrophobicContact CB-CB 4.4Å; V113-I126 PolarHBondContact N-O 3.3Å; V113-I126 PolarHBondContact O-N 3.05Å
114P90.3Very high86.2Confident17 Ų1747.7 Ų47.711%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-76.4117.417627.3-30.6000111.5V112 V122 F125V112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-V122 HydrophobicContact CB-CG1 3.84Å; P114-V122 HydrophobicContact CB-CG2 4Å; P114-F125 HydrophobicContact CB-CD1 4Å; P114-F125 HydrophobicContact CB-CE1 3.83Å
115V86.3Confident86.4Confident30 Ų3043 Ų4318%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-81121.8173.7-175.70000109V113 V122 I123 M124 I126V113-V115 PolarHBondContact O-N 3.23Å; V115-V122 WeakPolarHBondContact O-CA 3.32Å; V115-I123 HydrophobicContact CB-CG1 4.29Å; V115-I123 HydrophobicContact CG1-CD1 4.11Å; V115-I123 HydrophobicContact CG1-CG1 4.04Å; V115-I123 VanDerWaalsContact O-CG1 3.3Å; V115-I123 WeakPolarHBondContact O-CG1 3.36Å; V115-I123 PolarHBondContact O-N 2.77Å; V115-M124 HydrophobicContact CB-CB 4.44Å; V115-M124 WeakPolarHBondContact CB-O 3.49Å; V115-M124 PolarHBondContact N-O 3.4Å; V115-I126 HydrophobicContact CG2-CD1 3.58Å; V115-I126 HydrophobicContact CG2-CG1 3.82Å
116K84.8Confident86.5Confident95 Ų9540.9 Ų40.941%0.41322%0.223SC..EExtended strand (participates in β ladder)trans-105146.2-179.6-69.6175.9169.8178.20112.1S89 G120 V121 V122S89-K116 WeakPolarHBondContact O-CE 2.95Å; S89-K116 PolarHBondContact O-NZ 2.64Å; S89-K116 PolarHBondContact OG-NZ 2.9Å; K116-G120 VanDerWaalsContact CD-O 3.29Å; K116-G120 WeakPolarHBondContact CD-O 3.44Å; K116-G120 WeakPolarHBondContact CG-O 3.5Å; K116-V121 WeakPolarHBondContact CA-O 3.46Å; K116-V122 HydrophobicContact CG-CG2 4.04Å
117N79.9Confident86.7Confident62 Ų6239.9 Ų39.933%0.33222%0.218SC..  trans-73.5173.6169-119.937.7000111.6D119 G120 V121 I123N117-D119 WeakPolarHBondContact CB-OD2 3.32Å; N117-D119 PolarHBondContact ND2-OD2 3.18Å; N117-D119 PolarHBondContact O-N 3.29Å; N117-G120 PolarHBondContact O-N 3.04Å; N117-V121 PolarHBondContact N-O 2.74Å; N117-I123 HydrophobicContact CB-CG2 4Å; N117-I123 WeakPolarHBondContact OD1-CG2 3.31Å
118E74.6Confident86.8Confident183 Ų18338.3 Ų38.386%0.85521%0.209SC*.THydrogen-bonded Turntrans-55.2-30.7170.8-59.6-172.4155.500111.9G120E118-G120 PolarHBondContact O-N 2.84Å
119D71.1Confident86.9Confident121 Ų12138.7 Ų38.765%0.64721%0.211SC*.THydrogen-bonded Turntrans-77.21.5177.5-32.9-80000114.1N117 V121N117-D119 WeakPolarHBondContact CB-OD2 3.32Å; N117-D119 PolarHBondContact ND2-OD2 3.18Å; N117-D119 PolarHBondContact O-N 3.29Å; D119-V121 HydrophobicContact CB-CG2 4.28Å; D119-V121 PolarHBondContact O-N 3.07Å; D119-V121 VanDerWaalsContact O-N 3.14Å
120G76.6Confident86.8Confident40 Ų4042.4 Ų42.441%0.41223%0.228SC..SBendtrans75.2-10-176.100000115.8K116 N117 E118K116-G120 VanDerWaalsContact CD-O 3.29Å; K116-G120 WeakPolarHBondContact CD-O 3.44Å; K116-G120 WeakPolarHBondContact CG-O 3.5Å; N117-G120 PolarHBondContact O-N 3.04Å; E118-G120 PolarHBondContact O-N 2.84Å
121V83.3Confident86.7Confident81 Ų8145 Ų4549%0.49124%0.244SC..  trans-67.3132.5176.6-179.50000110.6K116 N117 D119 I123K116-V121 WeakPolarHBondContact CA-O 3.46Å; N117-V121 PolarHBondContact N-O 2.74Å; D119-V121 HydrophobicContact CB-CG2 4.28Å; D119-V121 PolarHBondContact O-N 3.07Å; D119-V121 VanDerWaalsContact O-N 3.14Å; V121-I123 PolarHBondContact O-N 3.04Å
122V84.1Confident86.2Confident29 Ų2946.3 Ų46.318%0.17625%0.25CS..EExtended strand (participates in β ladder)trans-68.4127.5174.3-175.10000109.5A34 P114 V115 K116 F125A34-V122 HydrophobicContact CB-CG1 3.99Å; P114-V122 HydrophobicContact CB-CG1 3.84Å; P114-V122 HydrophobicContact CB-CG2 4Å; V115-V122 WeakPolarHBondContact O-CA 3.32Å; K116-V122 HydrophobicContact CG-CG2 4.04Å; V122-F125 HydrophobicContact CG1-CE1 4.1Å; V122-F125 HydrophobicContact CG1-CE2 4.25Å; V122-F125 HydrophobicContact CG1-CZ 3.91Å
123I85.6Confident85.2Confident12 Ų1250.8 Ų50.86%0.06228%0.277CS..EExtended strand (participates in β ladder)trans-103.7-35.6177.854.8163.2000112.5F14 A34 V115 N117 V121F14-I123 HydrophobicContact CE1-CD1 4.33Å; F14-I123 HydrophobicContact CE2-CD1 3.97Å; F14-I123 HydrophobicContact CZ-CD1 3.6Å; A34-I123 WeakPolarHBondContact CB-O 3.33Å; A34-I123 PolarHBondContact N-O 2.92Å; V115-I123 HydrophobicContact CB-CG1 4.29Å; V115-I123 HydrophobicContact CG1-CD1 4.11Å; V115-I123 HydrophobicContact CG1-CG1 4.04Å; V115-I123 VanDerWaalsContact O-CG1 3.3Å; V115-I123 WeakPolarHBondContact O-CG1 3.36Å; V115-I123 PolarHBondContact O-N 2.77Å; N117-I123 HydrophobicContact CB-CG2 4Å; N117-I123 WeakPolarHBondContact OD1-CG2 3.31Å; V121-I123 PolarHBondContact O-N 3.04Å
124M89Confident83.6Confident20 Ų2056.4 Ų56.410%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-153154.2-173.2-61.6-170.5-179.700110.3F14 L15 I31 A32 I42 V115F14-M124 HydrophobicContact CE2-SD 4.35Å; F14-M124 HydrophobicContact CZ-CE 4.37Å; F14-M124 HydrophobicContact CZ-SD 4.29Å; L15-M124 HydrophobicContact CD1-CE 4.17Å; L15-M124 HydrophobicContact CD1-SD 4.11Å; L15-M124 HydrophobicContact CD2-SD 3.65Å; L15-M124 HydrophobicContact CG-SD 4.27Å; I31-M124 HydrophobicContact CG2-CB 4.33Å; I31-M124 HydrophobicContact CG2-SD 4.23Å; A32-M124 CarbonylContact O-C 3.45Å; A32-M124 WeakPolarHBondContact O-CA 3.47Å; A32-M124 VanDerWaalsContact O-CB 3.31Å; A32-M124 WeakPolarHBondContact O-CB 3.4Å; I42-M124 HydrophobicContact CD1-CE 4.01Å; I42-M124 HydrophobicContact CD1-SD 3.81Å; V115-M124 HydrophobicContact CB-CB 4.44Å; V115-M124 WeakPolarHBondContact CB-O 3.49Å; V115-M124 PolarHBondContact N-O 3.4Å
125F90.9Very high81.9Confident8 Ų860.6 Ų60.64%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-108.6133.7169.7-64.5-83.9000109.4I31 A32 A34 L86 V112 P114 V122 L127I31-F125 WeakPolarHBondContact CA-O 3.34Å; A32-F125 PolarHBondContact N-O 3.21Å; A32-F125 PolarHBondContact O-N 3.09Å; A34-F125 HydrophobicContact CB-CD2 3.78Å; A34-F125 HydrophobicContact CB-CE2 3.48Å; A34-F125 VanDerWaalsContact CB-CE2 3.48Å; A34-F125 HydrophobicContact CB-CZ 4.4Å; L86-F125 HydrophobicContact CD2-CB 4.13Å; L86-F125 HydrophobicContact CD2-CD1 3.98Å; L86-F125 HydrophobicContact CD2-CD2 4.1Å; L86-F125 HydrophobicContact CD2-CE1 4.41Å; L86-F125 HydrophobicContact CD2-CG 3.81Å; L86-F125 WeakPolarHBondContact O-CZ 3.49Å; V112-F125 HydrophobicContact CG1-CD1 4.01Å; P114-F125 HydrophobicContact CB-CD1 4Å; P114-F125 HydrophobicContact CB-CE1 3.83Å; V122-F125 HydrophobicContact CG1-CE1 4.1Å; V122-F125 HydrophobicContact CG1-CE2 4.25Å; V122-F125 HydrophobicContact CG1-CZ 3.91Å; F125-L127 HydrophobicContact CB-CD1 3.82Å
126I91.6Very high80.4Confident9 Ų960.9 Ų60.95%0.04633%0.328CS..EExtended strand (participates in β ladder)trans-100.8120.4164.7-57.9165.8000106.3I18 F22 F29 V113 V115I18-I126 HydrophobicContact CD1-CD1 4.28Å; I18-I126 HydrophobicContact CG2-CD1 3.78Å; F22-I126 HydrophobicContact CE1-CG2 3.98Å; F22-I126 HydrophobicContact CZ-CG2 4.41Å; F29-I126 HydrophobicContact CB-CG2 4.49Å; F29-I126 HydrophobicContact CD2-CG2 4.41Å; V113-I126 HydrophobicContact CB-CB 4.4Å; V113-I126 PolarHBondContact N-O 3.3Å; V113-I126 PolarHBondContact O-N 3.05Å; V115-I126 HydrophobicContact CG2-CD1 3.58Å; V115-I126 HydrophobicContact CG2-CG1 3.82Å
127L92.8Very high78.8Confident2 Ų259.4 Ų59.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-106.3115.7173.8-67.484000107.7F29 V30 C64 L86 V110 D111 V112 F125 F129F29-L127 CarbonylContact C-O 3.5Å; F29-L127 WeakPolarHBondContact CA-O 3.48Å; F29-L127 WeakPolarHBondContact CB-O 3.36Å; V30-L127 PolarHBondContact N-O 3.16Å; V30-L127 PolarHBondContact O-N 3.47Å; C64-L127 HydrophobicContact CB-CD1 4.16Å; C64-L127 VanDerWaalsContact O-CD2 3.3Å; C64-L127 WeakPolarHBondContact O-CD2 3.31Å; L86-L127 HydrophobicContact CD2-CD1 4.31Å; L86-L127 HydrophobicContact CD2-CD2 4.48Å; V110-L127 HydrophobicContact CG1-CB 4.47Å; V110-L127 HydrophobicContact CG1-CD2 4.37Å; D111-L127 WeakPolarHBondContact O-CA 3.39Å; V112-L127 HydrophobicContact CG2-CD2 4.46Å; V112-L127 HydrophobicContact CG2-CG 4.38Å; F125-L127 HydrophobicContact CB-CD1 3.82Å; L127-F129 HydrophobicContact CB-CE2 3.6Å; L127-F129 HydrophobicContact CB-CZ 3.97Å; L127-F129 HydrophobicContact CD2-CZ 4.27Å; L127-F129 WeakPolarHBondContact O-CD2 3.19Å; L127-F129 WeakPolarHBondContact O-CE2 3.4Å
128N92.5Very high77.4Confident11 Ų1161.9 Ų61.96%0.05933%0.332CS..EExtended strand (participates in β ladder)trans-105.9132.2176.9175.871.1000110R27 F29 V110 D111R27-N128 WeakPolarHBondContact CB-OD1 3.46Å; F29-N128 HydrophobicContact CB-CB 4.43Å; V110-N128 WeakPolarHBondContact CA-O 3.43Å; D111-N128 HydrophobicContact CB-CB 4.27Å; D111-N128 PolarHBondContact N-O 3.19Å; D111-N128 PolarHBondContact O-N 3.2Å
129F92.1Very high76.3Confident7 Ų757.6 Ų57.63%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-114.6110.4-170-64.8-100.3000110.7K28 V30 F48 L51 L98 V110 L127K28-F129 HydrophobicContact CB-CB 4.48Å; K28-F129 PolarHBondContact O-N 3.37Å; V30-F129 HydrophobicContact CB-CE2 4.23Å; V30-F129 HydrophobicContact CG2-CE2 3.85Å; F48-F129 AromaticContact CD2-CD2 3.58Å; F48-F129 HydrophobicContact CD2-CD2 3.58Å; F48-F129 AromaticContact CD2-CE2 3.85Å; F48-F129 HydrophobicContact CD2-CE2 3.85Å; F48-F129 AromaticContact CD2-CG 3.98Å; F48-F129 HydrophobicContact CD2-CG 3.98Å; F48-F129 HydrophobicContact CD2-CZ 4.45Å; F48-F129 AromaticContact CE2-CD1 3.99Å; F48-F129 HydrophobicContact CE2-CD1 3.99Å; F48-F129 AromaticContact CE2-CD2 3.6Å; F48-F129 HydrophobicContact CE2-CD2 3.6Å; F48-F129 AromaticContact CE2-CE1 3.89Å; F48-F129 HydrophobicContact CE2-CE1 3.89Å; F48-F129 AromaticContact CE2-CE2 3.48Å; F48-F129 HydrophobicContact CE2-CE2 3.48Å; F48-F129 VanDerWaalsContact CE2-CE2 3.48Å; F48-F129 AromaticContact CE2-CG 3.87Å; F48-F129 HydrophobicContact CE2-CG 3.87Å; F48-F129 AromaticContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CE2-CZ 3.65Å; F48-F129 HydrophobicContact CZ-CE2 4.37Å; F48-F129 HydrophobicContact CZ-CZ 4.32Å; L51-F129 HydrophobicContact CD2-CB 3.62Å; L51-F129 HydrophobicContact CD2-CG 4.36Å; L98-F129 HydrophobicContact CD1-CD1 4.08Å; L98-F129 HydrophobicContact CD1-CE1 4.13Å; V110-F129 HydrophobicContact CG1-CD1 4.3Å; V110-F129 HydrophobicContact CG1-CE1 3.95Å; V110-F129 HydrophobicContact CG1-CZ 4.16Å; V110-F129 HydrophobicContact CG2-CD1 3.63Å; V110-F129 HydrophobicContact CG2-CE1 3.7Å; L127-F129 HydrophobicContact CB-CE2 3.6Å; L127-F129 HydrophobicContact CB-CZ 3.97Å; L127-F129 HydrophobicContact CD2-CZ 4.27Å; L127-F129 WeakPolarHBondContact O-CD2 3.19Å; L127-F129 WeakPolarHBondContact O-CE2 3.4Å
130E90.2Very high75.3Confident110 Ų11056.1 Ų56.151%0.51430%0.304SS..EExtended strand (participates in β ladder)trans-109.1132.2178.9-170.9161.8-169.700109.9C108 M109C108-E130 CarbonylContact C-O 3.41Å; C108-E130 VanDerWaalsContact CA-O 3.29Å; C108-E130 WeakPolarHBondContact CA-O 3.28Å; C108-E130 PolarHBondContact SG-O 2.89Å; C108-E130 VanDerWaalsContact SG-O 3.37Å; M109-E130 HydrophobicContact CB-CB 4.47Å; M109-E130 PolarHBondContact N-O 2.9Å; M109-E130 PolarHBondContact O-N 3.39Å
131V88.9Confident73.9Confident55 Ų5560.4 Ų60.433%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-92123.3-177.5-179.70000108.4L51 T133L51-V131 HydrophobicContact CD1-CG2 3.43Å; L51-V131 VanDerWaalsContact CD1-CG2 3.43Å; V131-T133 PolarHBondContact O-N 3.1Å
132M82Confident72Confident41 Ų4164.7 Ų64.720%0.20232%0.319CS..  trans-84.4112.6-180-62.3-94.873.400109.8L107 M109 A136L107-M132 HydrophobicContact CB-CB 4.44Å; L107-M132 HydrophobicContact CD2-CB 3.88Å; L107-M132 HydrophobicContact CD2-CG 4.42Å; L107-M132 HydrophobicContact CG-CB 3.97Å; L107-M132 HydrophobicContact CG-CG 4.28Å; L107-M132 PolarHBondContact O-N 3.36Å; M109-M132 HydrophobicContact CB-CG 4.34Å; M109-M132 HydrophobicContact CB-SD 4.36Å; M109-M132 HydrophobicContact CE-SD 4.36Å; M132-A136 HydrophobicContact CE-CB 3.81Å
133T71.1Confident70Confident93 Ų9369.9 Ų69.957%0.57134%0.341SS*.  trans-85158.4166.449.70000110.8V131 D135 A136 L137V131-T133 PolarHBondContact O-N 3.1Å; T133-D135 PolarHBondContact O-N 3.04Å; T133-D135 VanDerWaalsContact O-N 3.09Å; T133-A136 PolarHBondContact O-N 3.1Å; T133-A136 VanDerWaalsContact O-N 3.07Å; T133-L137 PolarHBondContact O-N 2.93Å
134E57.8Low68.1Low158 Ų15875.4 Ų75.474%0.73837%0.37SS*.THydrogen-bonded Turntrans-60.6-23.7-172.1-62.3-163.5146.700114.7K138E134-K138 WeakPolarHBondContact O-CE 3.33Å
135D54.9Low65.7Low106 Ų10680.7 Ų80.757%0.56740%0.399SS*.THydrogen-bonded Turntrans-75-38175.9-65.2-50.5000112.7T133 L137 K138T133-D135 PolarHBondContact O-N 3.04Å; T133-D135 VanDerWaalsContact O-N 3.09Å; D135-L137 PolarHBondContact O-N 3.44Å; D135-K138 WeakPolarHBondContact O-CB 3.35Å; D135-K138 PolarHBondContact O-N 2.98Å; D135-K138 VanDerWaalsContact O-N 3.08Å; D135-K138 IonicContact OD1-NZ 2.75Å; D135-K138 PolarHBondContact OD1-NZ 3.35Å
136A54.3Low63.3Low36 Ų3687.8 Ų87.830%0.29843%0.432SS..Hα-helixtrans-63.6-32.3174.200000111.9M132 T133 K138 D139 H140M132-A136 HydrophobicContact CE-CB 3.81Å; T133-A136 PolarHBondContact O-N 3.1Å; T133-A136 VanDerWaalsContact O-N 3.07Å; A136-K138 PolarHBondContact O-N 3.03Å; A136-D139 PolarHBondContact O-N 3.07Å; A136-H140 PolarHBondContact O-N 2.77Å; A136-H140 VanDerWaalsContact O-N 3.07Å
137L52.4Low60.4Low64 Ų6498 Ų9834%0.33547%0.469SS..Hα-helixtrans-64.9-23.5175.7-167.666.6000112.9T133 D135 K141T133-L137 PolarHBondContact O-N 2.93Å; D135-L137 PolarHBondContact O-N 3.44Å; L137-K141 WeakPolarHBondContact O-CG 3.27Å
138K50.2Low57.3Low114 Ų114105.4 Ų105.450%0.49651%0.509SS..Hα-helixtrans-78.5-44.1177.2-62.5164.4-164.21630111.3E134 D135 A136 K141 R142E134-K138 WeakPolarHBondContact O-CE 3.33Å; D135-K138 WeakPolarHBondContact O-CB 3.35Å; D135-K138 PolarHBondContact O-N 2.98Å; D135-K138 VanDerWaalsContact O-N 3.08Å; D135-K138 IonicContact OD1-NZ 2.75Å; D135-K138 PolarHBondContact OD1-NZ 3.35Å; A136-K138 PolarHBondContact O-N 3.03Å; K138-K141 PolarHBondContact O-N 2.76Å; K138-R142 PolarHBondContact O-N 3.1Å; K138-R142 VanDerWaalsContact O-N 3.13Å
139D50.8Low54.7Low92 Ų92111 Ų11149%0.49255%0.545SS..Hα-helixtrans-75.1-35.7-179.4-79.4-21.8000112.8A136 K141 R142 E143A136-D139 PolarHBondContact O-N 3.07Å; D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 3.25Å; D139-R142 WeakPolarHBondContact O-CA 3.09Å; D139-R142 WeakPolarHBondContact O-CB 3.43Å; D139-R142 PolarHBondContact O-N 2.68Å; D139-R142 VanDerWaalsContact OD1-CD 3.27Å; D139-R142 WeakPolarHBondContact OD1-CD 3.43Å; D139-R142 IonicContact OD1-CZ 3.78Å; D139-R142 IonicContact OD1-NE 2.66Å; D139-R142 IonicContact OD1-NH1 2.73Å; D139-R142 PolarHBondContact OD1-NH1 3.18Å; D139-E143 PolarHBondContact O-N 3.42Å
140H49.8Very low51.6Low91 Ų91116.4 Ų116.442%0.42158%0.579SS.*Hα-helixtrans-65.9-32.1174.1-158.450.1000112.3A136 E143 L144A136-H140 PolarHBondContact O-N 2.77Å; A136-H140 VanDerWaalsContact O-N 3.07Å; H140-E143 IonicContact ND1-OE2 2.83Å; H140-E143 PolarHBondContact ND1-OE2 3.08Å; H140-E143 PolarHBondContact O-N 2.88Å; H140-L144 PolarHBondContact O-N 3.08Å; H140-L144 VanDerWaalsContact O-N 3.11Å
141K47.3Very low48.6Very low129 Ų129121.5 Ų121.556%0.56159%0.594SS**Hα-helixtrans-68.4-28.8168.7-80.4179.6177.3175.10113.4L137 K138 D139 N145L137-K141 WeakPolarHBondContact O-CG 3.27Å; K138-K141 PolarHBondContact O-N 2.76Å; D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 3.25Å; K141-N145 PolarHBondContact O-ND2 3.12Å
142R42.9Very low45.9Very low172 Ų172126 Ų12665%0.64962%0.615SS**Hα-helixtrans-70-42.7171.5-78166155.5171.8-6.7111.5K138 D139 N145K138-R142 PolarHBondContact O-N 3.1Å; K138-R142 VanDerWaalsContact O-N 3.13Å; D139-R142 WeakPolarHBondContact O-CA 3.09Å; D139-R142 WeakPolarHBondContact O-CB 3.43Å; D139-R142 PolarHBondContact O-N 2.68Å; D139-R142 VanDerWaalsContact OD1-CD 3.27Å; D139-R142 WeakPolarHBondContact OD1-CD 3.43Å; D139-R142 IonicContact OD1-CZ 3.78Å; D139-R142 IonicContact OD1-NE 2.66Å; D139-R142 IonicContact OD1-NH1 2.73Å; D139-R142 PolarHBondContact OD1-NH1 3.18Å; R142-N145 PolarHBondContact O-N 3.21Å
143E44Very low43.6Very low137 Ų137129.1 Ų129.164%0.6464%0.636SS**Hα-helixtrans-63.1-44.1-179.5-166.1169.6-143.400112D139 H140 N145 H146D139-E143 PolarHBondContact O-N 3.42Å; H140-E143 IonicContact ND1-OE2 2.83Å; H140-E143 PolarHBondContact ND1-OE2 3.08Å; H140-E143 PolarHBondContact O-N 2.88Å; E143-N145 VanDerWaalsContact C-N 3.27Å; E143-N145 PolarHBondContact O-N 3.06Å; E143-H146 PolarHBondContact O-N 3.02Å
144L44.4Very low41.7Very low128 Ų128130.9 Ų130.967%0.6765%0.647SS**Hα-helixtrans-62-27.4174.7-89.6159.9000114.5H140 H146H140-L144 PolarHBondContact O-N 3.08Å; H140-L144 VanDerWaalsContact O-N 3.11Å; L144-H146 VanDerWaalsContact C-N 3.32Å
145N39.6Very low40.5Very low131 Ų131126.5 Ų126.570%0.70165%0.645SS**THydrogen-bonded Turntrans-83.6-3.1179-81.1-62.7000113.9K141 R142 E143K141-N145 PolarHBondContact O-ND2 3.12Å; R142-N145 PolarHBondContact O-N 3.21Å; E143-N145 VanDerWaalsContact C-N 3.27Å; E143-N145 PolarHBondContact O-N 3.06Å
146H39.4Very low39.3Very low158 Ų158133 Ų13373%0.73166%0.661SS**SBendtrans-129.749.1-175.5-80.5-35000114.8E143 L144E143-H146 PolarHBondContact O-N 3.02Å; L144-H146 VanDerWaalsContact C-N 3.32Å
147R30.6Very low38.9Very low222 Ų222136.9 Ų136.984%0.83868%0.684SS**  trans-159.9114.8151.9-97.9126.5-163.6-96.62.6114
148L27.5Very low38Very low159 Ų159145.5 Ų145.583%0.83271%0.712SS**  trans-76.8151.6136.3-124.677.6000107.7T150L148-T150 PolarHBondContact O-N 2.91Å
149P38.1Very low37.1Very low127 Ų127143.2 Ų143.283%0.82572%0.72SS**  trans-82.7109-16831.3-32.3000112.1
150T26.7Very low36Very low121 Ų121148.7 Ų148.774%0.74274%0.74SS**  trans-123.1133.6167.6-50.30000110.7L148L148-T150 PolarHBondContact O-N 2.91Å
151W28.4Very low35Very low217 Ų217153.8 Ų153.882%0.82276%0.761SS**  trans80.6122.5165.1-115.560.7000120V153 T154W151-V153 WeakPolarHBondContact CZ3-O 3.19Å; W151-T154 HydrophobicContact CH2-CG2 4.39Å; W151-T154 HydrophobicContact CZ3-CG2 4.05Å
152L31.9Very low34.2Very low150 Ų150155.4 Ų155.479%0.78578%0.775SS**  trans-106.7151.2168.4-122.3173.1000107.9
153V33.8Very low33.5Very low106 Ų106158.6 Ų158.664%0.64279%0.787SS**  trans64.2103.2165.7-170.20000117.9W151W151-V153 WeakPolarHBondContact CZ3-O 3.19Å
154T31.9Very low32.9Very low130 Ų130159.3 Ų159.380%0.79879%0.794SS**  -133.695.7115.646.70000110.9W151W151-T154 HydrophobicContact CH2-CG2 4.39Å; W151-T154 HydrophobicContact CZ3-CG2 4.05Å
155G31.9Very low32.1Very low67 Ų67159.2 Ų159.269%0.69180%0.802SS**  trans-92.2122.4155.900000109.6
156R29.7Very low31.5Very low241 Ų241161.5 Ų161.591%0.90981%0.808SS**  trans-138.6144.4156.8-104.5-162.3171.1-157.8-2.4111
157P45.3Very low31.1Very low119 Ų119161.9 Ų161.977%0.77381%0.814SS**  trans-86149.1-164.533.8-36000113
158R34.6Very low30.8Very low245 Ų245163.6 Ų163.693%0.92582%0.821SS**  trans-117.598.8153.3-74.7-173.4173.8-178-0.9108.4
159G29.7Very low30.8Very low66 Ų66161.4 Ų161.468%0.6882%0.819SS**  trans-70.3142.7174.700000111.3K161G159-K161 PolarHBondContact O-N 2.9Å
160F28.7Very low30.4Very low207 Ų207164 Ų16491%0.90883%0.825SS**  trans-68.688.5174.9-78.9-93.4000111.1L162F160-L162 PolarHBondContact O-N 2.89Å
161K29.2Very low30.2Very low197 Ų197163.6 Ų163.686%0.85783%0.827SS**  trans-78.1108.6159.9-78.7-172.5174.6-1790108.7G159 R163G159-K161 PolarHBondContact O-N 2.9Å; K161-R163 PolarHBondContact O-N 3.47Å
162L30.7Very low30Very low164 Ų164160.5 Ų160.586%0.85983%0.827SS**  trans-61.3132.5155.6-82.483.3000108.3F160F160-L162 PolarHBondContact O-N 2.89Å
163R26.9Very low29.7Very low238 Ų238157.7 Ų157.790%0.89882%0.82SS**  trans-123.6136.3156.9-99.1-175.7164.7177-6.5107.4K161K161-R163 PolarHBondContact O-N 3.47Å
164L32.5Very low29.4Very low152 Ų152162.1 Ų162.180%0.79683%0.83SS**  trans-67.1153.4174.7-79.770.3000109.8
165P26.6Very low29.1Very low127 Ų127159.7 Ų159.783%0.82582%0.823SS**  trans-66.5133.5164.830-33.5000109.7
166Q27.6Very low28.7Very low179 Ų179161.7 Ų161.784%0.83683%0.827SS**  trans-124.9120.2161.4-83.6-168.3-35.800110
167L31.1Very low28.6Very low165 Ų165158.2 Ų158.286%0.86483%0.826SS**  trans23.1119143.6-58.5170.7000117.8S169L167-S169 PolarHBondContact O-N 3.03Å
168R25.1Very low27.6Very low258 Ų258159.4 Ų159.497%0.97483%0.826SS**PPolyproline II helixtrans-64.8121.8157.2-71.8176.6170.7171.5-4.6109.2
169S26.4Very low27.3Very low114 Ų114155.6 Ų155.680%0.79782%0.823SS**PPolyproline II helixtrans-96.6129.3159.156.50000109.7L167L167-S169 PolarHBondContact O-N 3.03Å
170L28.9Very low27.3Very low180 Ų180156.8 Ų156.894%0.94283%0.827SS**PPolyproline II helixtrans-71.5131.5166.7-72.4155.7000109.5
171S24.3Very low27.3Very low113 Ų113155.8 Ų155.879%0.7983%0.825SS**  trans-160146.7144.3-160.90000112.2
172N24.2Very low27.3Very low152 Ų152151.1 Ų151.181%0.81382%0.824SS**  trans-55.7155.2-176.4-51.8-39.8000114.6
173S24.8Very low27.2Very low92 Ų92146.4 Ų146.464%0.64381%0.814SS**  158.9116.296.81740000114.5
174K26.5Very low27.2Very low198 Ų198143 Ų14386%0.86181%0.808SS**  trans60.7161.1145.9-64.5177.6-177-178.40118.4
175A25.7Very low27Very low79 Ų79142.5 Ų142.565%0.65381%0.805SS**  cis-171.7172.6-2800000107.4
176S24Very low26.9Very low110 Ų110141.4 Ų141.477%0.76980%0.8SS**  trans63.3146.9-179.866.90000114.5
177L27Very low26.8Very low167 Ų167139 Ų13987%0.87480%0.798SS**  cis-118.3159.923.7-72.2153.2000113.9
178D26Very low26.6Very low145 Ų145134.9 Ų134.978%0.77579%0.788SS**  trans-100.2-170.8174-74.9-65.2000111.7
179D26.8Very low26.6Very low164 Ų164129 Ų12988%0.87778%0.781SS**  trans79.1136.5179.7-53.5-27.9000115.7
180A31.3Very low27.2Very low91 Ų91128.6 Ų128.675%0.75278%0.775SS**  cis172.3157.9-10.700000104.5
181E27.3Very low27Very low186 Ų186127.6 Ų127.687%0.86977%0.77SS**  cis-158.4178.9-4.9-143.4-171.1144.500109.4
182A29.3Very low27.9Very low100 Ų100127.1 Ų127.183%0.82676%0.764SS**  trans63.9143.3173.600000117.5
183G28Very low27.9Very low64 Ų64128.2 Ų128.266%0.6677%0.769SS**  cis154.6146.40.200000108.2
184H28.7Very low27.9Very low167 Ų167132.3 Ų132.377%0.77378%0.778SS**  cis-141.9157.47-77.5-91.5000109
185I26.6Very low28.7Very low141 Ų141127.9 Ų127.972%0.72377%0.77SS**  46.8115.179.6-37.2176.6000111.9
186S26.3Very low28.6Very low104 Ų104130.2 Ų130.273%0.72777%0.771SS**  cis-141.9142.347.3-57.90000112.2
187T24.6Very low28.8Very low128 Ų128132.7 Ų132.779%0.78577%0.77SS**  46.1137.877.748.90000117.3
188A26.5Very low28.8Very low79 Ų79129.5 Ų129.565%0.65376%0.762SS**  cis-172.9142.1-2100000111.7
189T25.1Very low29.4Very low135 Ų135127.9 Ų127.983%0.82876%0.759SS**  trans44.6163.5151.241.70000123.2
190P40.1Very low29.3Very low106 Ų106128.9 Ų128.969%0.68876%0.758SS**  cis-134.2175.4-26.238.4-20.2000115.5
191L24.8Very low29.1Very low159 Ų159130.7 Ų130.783%0.83277%0.765SS**  trans20.8157.2143.9-62.5168.3000122.9
192P42.3Very low29.2Very low103 Ų103130.6 Ų130.667%0.66977%0.77SS**  cis-142.3-169.8-27.538.2-17.7000115.2
193L24.2Very low29Very low175 Ų175129.1 Ų129.192%0.91677%0.765SS**  trans115.5145.4159.4-66.9156.6000118.7
194H24.7Very low28.9Very low177 Ų177134.7 Ų134.782%0.81978%0.778SS**  trans-85.6167.7-178.9-110.3-103.2000112
195P44.1Very low28.8Very low106 Ų106134.4 Ų134.469%0.68878%0.783SS**  cis-126.6-159.730.238.8-17000114.2
196D23.3Very low28.8Very low127 Ų127136.8 Ų136.868%0.67979%0.791SS**  cis-161.1-175.717.8-144.8-12.9000116.3
197H28.6Very low28.8Very low163 Ų163141.1 Ų141.176%0.75580%0.797SS**  trans-43.6130.3174.3-76-75.2000116.9
198S26.4Very low28.8Very low100 Ų100143.3 Ų143.370%0.69980%0.803SS**  94.4147.872.4930000113.5
199P38.2Very low29Very low111 Ų111144.6 Ų144.672%0.72180%0.804SS**  cis-143.9174.145.542.2-22.5000119.2
200E26.1Very low28.9Very low184 Ų184146 Ų14686%0.8681%0.806SS**  trans31.2127154-63.8-174.112100124.6
201S25.8Very low28.6Very low129 Ų129146.6 Ų146.690%0.90281%0.81SS**  -163.7156.8123.16.20000113.7
202L28.8Very low28.5Very low184 Ų184147 Ų14796%0.96381%0.812SS**  trans-65.8163-179.2-57160.1000113.1
203G25.6Very low27.7Very low70 Ų70149.5 Ų149.572%0.72282%0.819SS**  cis159.3147.9-0.600000110.1
204L27Very low28.2Very low180 Ų180146.8 Ų146.894%0.94281%0.812SS**  trans-151.4151.8-176.1-104.3170.3000113.1
205D25.4Very low28.6Very low162 Ų162144.1 Ų144.187%0.86681%0.81SS**  trans-74.9150.7178.1-73.7-58.2000113.9
206E27.6Very low27.6Very low190 Ų190146 Ų14689%0.88882%0.815SS**  trans-131.7150.2170-172165.5-153.900112.3
207F26Very low27.9Very low195 Ų195148.8 Ų148.886%0.85582%0.823SS**  trans-88.2143.7-177.2-68.5-111.6000112.6
208L25.1Very low27.6Very low175 Ų175149 Ų14992%0.91682%0.824SS**  trans-148145.9149.4-87.6-172000113.7
209P30.6Very low27.5Very low105 Ų105151.7 Ų151.768%0.68283%0.826SS**  trans-115.2173.1171.641.5-33.1000114.4
210L23Very low26.9Very low166 Ų166153.6 Ų153.687%0.86983%0.825SS**  trans76.6136.6168.2-62170.2000118.3
211P33.6Very low26.9Very low118 Ų118152.3 Ų152.377%0.76682%0.823SS**  trans-103.9161.9179.939.8-35000114.8
212L22.7Very low26.9Very low167 Ų167151.9 Ų151.987%0.87482%0.821SS**  trans-134.5172.3163.2-88.7170.7000110.7
213L25.3Very low26.7Very low156 Ų156146.4 Ų146.482%0.81781%0.809SS**PPolyproline II helixtrans-69.8150-165.7-6495.2000115
214P34.6Very low26.8Very low117 Ų117149.1 Ų149.176%0.7682%0.817SS**PPolyproline II helixtrans-93.2150168.236.8-33000113.2
215P32.4Very low26.7Very low121 Ų121152 Ų15279%0.78682%0.815SS**PPolyproline II helixtrans-96.1171.3155.837.2-31.3000112.1
216D24.2Very low26.6Very low147 Ų147149 Ų14979%0.78681%0.806SS**PPolyproline II helixtrans-67161.9-179.7-49.1-92.3000114.5
217H28Very low26.6Very low184 Ų184147 Ų14785%0.85281%0.807SS**  -160.7162.3129-106.235.6000113.2
218Q22.8Very low26.6Very low168 Ų168145.1 Ų145.179%0.78581%0.805SS**  trans-74.8178.1176.8-64.6147.9-81.400109.9
219Q25.7Very low26.7Very low156 Ų156146.3 Ų146.373%0.72981%0.806SS**  cis-177.2152.649.3-143.3173.5-13.700112.2
220Q25.2Very low26.3Very low151 Ų151149.4 Ų149.471%0.70681%0.809SS**  trans62160.9155.7-76.3159.2-82.600120.8
221L25Very low26.4Very low157 Ų157152.3 Ų152.382%0.82281%0.808SS**  cis-166126.7-42.4-154.8145.3000110.2
222S25.5Very low26.5Very low121 Ų121151.7 Ų151.785%0.84680%0.804SS**  trans-157.4156.9156.764.90000109.4
223G25.6Very low26.6Very low69 Ų69152.9 Ų152.971%0.71181%0.805SS**  trans-162.7173-173.900000115.6
224S26.4Very low26.5Very low127 Ų127153.2 Ų153.289%0.88881%0.808SS**  trans-157.8122.8171.9-83.80000113.5
225R25.5Very low26.1Very low240 Ų240158.8 Ų158.891%0.90681%0.814SS**  trans21.6101.2157.2-81.1-179.7161.3165.2-5.3120.9
226S24.4Very low25.7Very low98 Ų98161 Ų16169%0.68581%0.814SS**  33.7123.2114.365.10000121.7
227V27.5Very low25.8Very low148 Ų148162.9 Ų162.990%0.89782%0.817SS**  trans-132.5149.2138.8176.80000108
228L25.9Very low25.8Very low157 Ų157161.3 Ų161.382%0.82282%0.815SS**  trans-87.8136.4-176.6-76.470.7000112.8
229Q27Very low26Very low199 Ų199161.8 Ų161.893%0.9382%0.817SS**  -151.5168.6123.1-142.5158.1-7.900110.3
230K21.6Very low26Very low171 Ų171160.1 Ų160.174%0.74382%0.823SS**  trans-138.8109.1-138.2-169.3-166.8175.2-172.60117
231W24.6Very low26Very low227 Ų227158.9 Ų158.986%0.8683%0.826SS**  trans64.7165.9144.1-68.651.7000118.9
232P36.3Very low26.1Very low104 Ų104159.7 Ų159.768%0.67583%0.83SS**  cis-134.5-177.4-39.638.1-21.7000113.6
233E24.3Very low26.1Very low192 Ų192161.6 Ų161.690%0.89783%0.83SS**  trans-79.4159.9157.1-65.4170.4108.600110.9
234D24.7Very low26.1Very low163 Ų163163.7 Ų163.787%0.87283%0.833SS**  trans-129.8160.1-178.8-137.8-27.4000113.1
235R25.1Very low26.2Very low235 Ų235162.3 Ų162.389%0.88782%0.823SS**  trans-93.7145.9-169.7-90.2-174.5174.5-177.2-1.6115
236Q24.4Very low26.2Very low168 Ų168158.5 Ų158.579%0.78582%0.816SS**  trans-25.8129.1141.5172.2-173.68.900115.5
237E27.1Very low26.3Very low186 Ų186159.7 Ų159.787%0.86982%0.819SS**  trans-158.5148.4137.5-125.6167.2-140.900111.7
238D27.5Very low27.9Very low151 Ų151158 Ų15881%0.80781%0.81SS**  trans-85.7146.9177.4-78.1-69.2000111.4
239Q27Very low28.7Very low177 Ų177158.5 Ų158.583%0.82781%0.813SS**  trans-150.4124.9167.8-148.81679800113
240S25.8Very low30Very low122 Ų122155 Ų15585%0.85381%0.808SS**  trans-132141.2164.8550000108.9
241T25.6Very low30.7Very low124 Ų124154.4 Ų154.476%0.76181%0.812SS**  trans-114.2149.6-159.441.70000114.4
242L26.2Very low32.4Very low175 Ų175148.8 Ų148.892%0.91681%0.805SS**  trans-137.7151.4170.5-85.2172.6000108.9
243L26.3Very low32.1Very low161 Ų161155.2 Ų155.284%0.84382%0.816SS**  trans-156.8139.1171.9-102.1170.5000112.6
244C24.6Very low32.4Very low113 Ų113153.7 Ų153.776%0.76481%0.813SS**  trans66.8156.6165.2-60.90000119.1
245S28.1Very low34.3Very low98 Ų98151.2 Ų151.269%0.68581%0.806SS**  cis136.8145-15.1-810000111.6
246E26.2Very low36.2Very low160 Ų160145.2 Ų145.275%0.74880%0.797SS**  cis-149.5-130.7-0.5-15379.7-3100113.2
247T26.2Very low36.7Very low122 Ų122145.9 Ų145.975%0.74880%0.8SS**  trans-150.1-167.1-170.362.20000111.1
248P61Low36.9Very low112 Ų112143 Ų14373%0.72780%0.795SS**  cis-132.9171.6-30.727.7-5.1000117
249L42.8Very low37.2Very low169 Ų169138.9 Ų138.989%0.88578%0.782SS**  trans6.1163.9152.2-65.3174.2000124
250P54.8Low37.5Very low126 Ų126139 Ų13982%0.81878%0.782SS**  cis-144.8-160.927.143.2-20000119.2
251L36.8Very low37.9Very low157 Ų157139.8 Ų139.882%0.82278%0.776SS**  trans-110.4166.9-174.5-100.1167000113.3
252P60Low38.2Very low109 Ų109140.6 Ų140.671%0.70878%0.78SS**  -160.3173.257.943.6-21.8000121
253R29.3Very low38.2Very low240 Ų240135.3 Ų135.391%0.90677%0.768SS**  trans170.1176.1136-95.2175.3179-1730.5117.5
254L31.4Very low39.7Very low160 Ų160133.3 Ų133.384%0.83876%0.764SS**  trans-105-171.6-169.4-88.974.9000113.4
255P64.4Low39.9Very low111 Ų111134.8 Ų134.872%0.72176%0.764SS**  cis-134.3-160.1-21.127.6-2.7000113.2
256P64.2Low39.8Very low108 Ų108135.8 Ų135.870%0.70176%0.762SS**  -128.8177.2-54.338.5-23000115.4
257Q36.3Very low39.9Very low182 Ų182136.2 Ų136.285%0.8576%0.764SS**  trans74.3159.6167-62.1-166.711.700116.4
258V30.7Very low39.9Very low127 Ų127136 Ų13677%0.7777%0.767SS**  cis-163.8165-13125.90000108.3
259A33.4Very low38.4Very low64 Ų64136.9 Ų136.953%0.52977%0.771SS.*  cis-175.5152.3-46.600000110.8
260H34.5Very low39Very low178 Ų178134.3 Ų134.382%0.82476%0.764SS**  trans69.8153.4159.8-59.6-46.7000119.7
261L33.6Very low37.7Very low140 Ų140134 Ų13473%0.73376%0.764SS**  cis-154.8146.83.6-154.276.9000112.5
262V30.8Very low37.2Very low141 Ų141132.6 Ų132.686%0.85576%0.761SS**  trans51.3146.8147.6159.80000120.5
263G27.8Very low35.6Very low63 Ų63134 Ų13465%0.64977%0.768SS**  cis-175-174.32.400000113.3
264P56.8Low35.5Very low119 Ų119127.4 Ų127.477%0.77376%0.764SS**  trans-133.2168.4-156.136.9-18.4000117.7
265L28.5Very low35.5Very low144 Ų144131.1 Ų131.175%0.75477%0.767SS**  trans159.6154.5131.3-11065.7000116.7
266N26.4Very low33.7Very low120 Ų120135.2 Ų135.264%0.64278%0.776SS**  trans69.7100.7146.1-69.84.7000125.2
267Q28.3Very low32Very low169 Ų169141.3 Ų141.379%0.7979%0.785SS**  54.6138.3103.9-67-1760.800123.6
268S26Very low31.7Very low117 Ų117140.7 Ų140.782%0.81879%0.787SS**  trans103.4159.3139.879.60000120.7
269T29.9Very low31.5Very low130 Ų130139.3 Ų139.380%0.79878%0.783SS**  trans-137-174.2-159.648.30000108.9
270P54.9Low31.2Very low115 Ų115143.7 Ų143.775%0.74780%0.796SS**  cis-133.9-174.9-47.535.1-17.5000113.9
271C28Very low30.9Very low121 Ų121142.3 Ų142.382%0.81880%0.795SS**  trans86.1167142.8-149.40000121.2
272V26.1Very low31.5Very low127 Ų127140.1 Ų140.177%0.7779%0.789SS**  trans87.298.4164.8-164.50000120.7
273V27.4Very low31.3Very low139 Ų139140.6 Ų140.684%0.84279%0.787SS**  trans-1.8129.7140-175.30000120.2
274A26.2Very low31.3Very low100 Ų100141.6 Ų141.683%0.82679%0.789SS**  trans-166.1160.813400000112.8
275R30.8Very low29.9Very low239 Ų239141.1 Ų141.190%0.90279%0.789SS**  trans-99.4156.3175.9-69.4171.7166.7149.7-6.4111.5
276H27.1Very low29.7Very low197 Ų197139.6 Ų139.691%0.91279%0.789SS**  trans-152.8159.9136.2-123.2-91.7000113.2
277R28.6Very low29.8Very low235 Ų235138.2 Ų138.289%0.88779%0.789SS**  trans-96.2164.6-179.9-60.8174.9174.5172.5-3.3112
278L29.7Very low29.8Very low169 Ų169137 Ų13789%0.88579%0.788SS**  trans-159.1152.2144.7-108.5167.1000113.5
279S26Very low29.7Very low98 Ų98136.1 Ų136.169%0.68578%0.78SS**  trans33.7119.9158.2-125.50000121.1
280L28.4Very low29.6Very low156 Ų156136.2 Ų136.282%0.81778%0.781SS**  73.7101.356.7-73.7167.4000116.8
281N27.8Very low28.4Very low149 Ų149137.3 Ų137.380%0.79778%0.78SS**  trans51.4162.3132.6-91.914.5000122.8
282P45.4Very low28.3Very low94 Ų94138.1 Ų138.161%0.6178%0.781SS**  cis-136.2-163.8-13.931-6.8000114.7
283D27.4Very low28.5Very low151 Ų151139.7 Ų139.781%0.80778%0.78SS**  trans100138.3146.1-65.2-23.8000124.5
284A27.1Very low28.5Very low84 Ų84138.7 Ų138.769%0.69478%0.779SS**  trans71.489.5145.500000124
285S27.1Very low28.8Very low109 Ų109145 Ų14576%0.76278%0.781SS**  88.1151.5112.181.30000124
286C25.8Very low28.8Very low113 Ų113138.5 Ų138.576%0.76477%0.773SS**  trans58.497.7145.3-66.20000122.8
287S26.8Very low29Very low91 Ų91140 Ų14064%0.63677%0.771SS**  0.2132.412557.40000120
288N28.5Very low29Very low144 Ų144136 Ų13677%0.7776%0.762SS**  175.3144.1103.7-91.9-29.2000116.5
289C24.4Very low28.9Very low97 Ų97133.7 Ų133.766%0.65576%0.76SS**  trans37.4128.3136.3-55.80000124.4
290T27Very low29Very low133 Ų133136.9 Ų136.982%0.81676%0.762SS**  trans72.2162.8132.856.10000122.4
291L31.1Very low29.2Very low137 Ų137137.4 Ų137.472%0.71776%0.76SS**  cis-174.9108.7-41.6-163.8172.2000110.7H293L291-H293 HydrophobicContact CD2-CB 4.28Å
292T26.3Very low29.2Very low139 Ų139135.1 Ų135.185%0.85376%0.755SS**  trans-160.8131.7157.643.40000108.6
293H28.6Very low28.4Very low160 Ų160138.6 Ų138.674%0.74177%0.765SS**  cis108.393.513.6-171.8-71.2000114.8L291L291-H293 HydrophobicContact CD2-CB 4.28Å
294S27.4Very low28.6Very low118 Ų118141.3 Ų141.383%0.82576%0.764SS**  trans-152.1159.3154.666.40000112.7
295R33Very low28.6Very low231 Ų231147.4 Ų147.487%0.87277%0.769SS**  trans-71.3166.6-165.8-69170.4170.8163.3-5.3112.8
296S30.6Very low28.6Very low104 Ų104146.1 Ų146.173%0.72777%0.766SS**  -175.916751.667.90000118
297R33Very low28.8Very low229 Ų229146.1 Ų146.186%0.86477%0.767SS**  trans75.9143.8159.2-65.5-178.976.7168.52.6120
298E27.8Very low29Very low150 Ų150146.9 Ų146.970%0.70177%0.772SS**  trans-110.2153.7-163.5-51.687.7158.600114.5F300E298-F300 HydrophobicContact CB-CD2 4.32Å; E298-F300 HydrophobicContact CB-CE2 3.78Å; E298-F300 HydrophobicContact CB-CZ 4.33Å; E298-F300 HydrophobicContact CG-CE2 4.41Å; E298-F300 HydrophobicContact CG-CZ 4.5Å
299S27.9Very low29.2Very low121 Ų121146.1 Ų146.185%0.84677%0.772SS**  trans-144158.2136.170.80000109.3
300F26.9Very low29.6Very low164 Ų164147.2 Ų147.272%0.71977%0.772SS**  trans-108.2139.3-148.1-77-105.1000116.1E298E298-F300 HydrophobicContact CB-CD2 4.32Å; E298-F300 HydrophobicContact CB-CE2 3.78Å; E298-F300 HydrophobicContact CB-CZ 4.33Å; E298-F300 HydrophobicContact CG-CE2 4.41Å; E298-F300 HydrophobicContact CG-CZ 4.5Å
301H32.7Very low29.7Very low168 Ų168149.9 Ų149.978%0.77878%0.775SS**  trans35.8149.9135.3-73.3-99.9000121.6
302S28.7Very low29.7Very low100 Ų100150 Ų15070%0.69978%0.775SS**  cis-161.3162.4-4.953.60000107
303M28.9Very low29.9Very low167 Ų167152.2 Ų152.282%0.82378%0.776SS**  cis86.489.926.4-133.5-156.5-48.300117.9
304R31.3Very low29.8Very low208 Ų208148.1 Ų148.179%0.78577%0.769SS**  trans37137.9139.8-70.2-174.5177.7178.60.4122.5
305R26.9Very low29.7Very low212 Ų212150.7 Ų150.780%0.877%0.773SS**  trans88.1113.2131.6-178.2-169.7-71.2145.2-14120
306A27.3Very low29.4Very low83 Ų83150.7 Ų150.769%0.68677%0.773SS**  trans45.8130.1136.700000123.9
307S30.1Very low29.6Very low112 Ų112151.2 Ų151.278%0.78377%0.774SS**  trans67.1114.1135.364.60000122.9
308S31.2Very low29.4Very low108 Ų108149.7 Ų149.776%0.75578%0.776SS**  trans-175.7175.2133.9480000106.8
309V32.8Very low29.5Very low128 Ų128151.3 Ų151.378%0.77678%0.776SS**  cis-150.9142.128.6169.50000107.3
310D31.2Very low29.6Very low120 Ų120151.9 Ų151.964%0.64277%0.77SS**  cis-124.5-104.8-8.9-150.9-115.6000113.5
311E29.8Very low29.6Very low188 Ų188153.5 Ų153.588%0.87977%0.771SS**  cis-154.4168.7-2.9-165.2164.5-120.900110.2
312I32.3Very low29.3Very low139 Ų139153.4 Ų153.471%0.71377%0.768SS**  trans-125126.1-148.1-58.2170000114.8
313E29.1Very low29.3Very low187 Ų187155.1 Ų155.187%0.87477%0.77SS**  trans-156.6139.5132.1-123.8-172.816400117.1
314A27.2Very low29.2Very low73 Ų73159.2 Ų159.260%0.60378%0.776SS**  trans39.2120.514700000125
315L25.5Very low29Very low172 Ų172160.9 Ų160.990%0.90178%0.782SS**  79.5105.5129.9-66.4170.4000123.2
316R25.3Very low29Very low232 Ų232155.7 Ų155.788%0.87579%0.785SS**  trans-47.7175.4145-99.9-178.2-179.8176.30.9115.2
317P35.2Very low29Very low115 Ų115156.7 Ų156.775%0.74779%0.787SS**  cis-133.9175.4-11.736.5-19.3000115
318E29.2Very low29Very low196 Ų196157.2 Ų157.292%0.91679%0.785SS**  trans-121.3149.9155.3-170.8165-160.100109.7
319W29.9Very low28.9Very low185 Ų185163.2 Ų163.270%0.70179%0.791SS**  trans-150149.3177.9111.9-73.3000112.8R321W319-R321 HydrophobicContact CH2-CG 4.28Å; W319-R321 HydrophobicContact CZ2-CG 4.36Å
320D30.6Very low29.4Very low132 Ų132162.6 Ų162.671%0.70679%0.79SS**  trans-60150.8-178.8-61.4-93.1000115
321R25.8Very low29.2Very low198 Ų198161 Ų16175%0.74779%0.794SS**  -171.4120.5116.2-104.6173.7179.3-179.73.1116.5W319W319-R321 HydrophobicContact CH2-CG 4.28Å; W319-R321 HydrophobicContact CZ2-CG 4.36Å
322K27.9Very low29.3Very low166 Ų166157.4 Ų157.472%0.72279%0.789SS**  66.8118.6118.6-156.7178-168.9-177.70120.2
323N26.9Very low29.1Very low137 Ų137155.9 Ų155.973%0.73379%0.791SS**  trans58.7119.2148.2-65.30.3000120.5
324R28.4Very low29.3Very low253 Ų253151.6 Ų151.696%0.95578%0.782SS**  -157.3171.4110.7-103.3158.9-152.9-129.95.2111.3
325R26.9Very low29.5Very low242 Ų242155.1 Ų155.191%0.91380%0.795SS**  trans-116.2158.6-169.8-56.7174.5-177.7159.3-2.3111.3
326A25.7Very low29.6Very low103 Ų103150.7 Ų150.785%0.85179%0.792SS**  trans66.3156.5167.600000115.1
327S28.8Very low29.8Very low105 Ų105144.3 Ų144.373%0.73479%0.789SS**  cis-154.6156.719.6-156.40000114
328V29.6Very low29.6Very low123 Ų123145.4 Ų145.475%0.74579%0.793SS**  trans29.3114144.7179.50000120.5
329R28Very low29.7Very low233 Ų233143 Ų14388%0.87979%0.786SS**  20.7162.3122.5-78.4-179-177179.31.1121
330P44.7Very low29.5Very low115 Ų115137.9 Ų137.975%0.74778%0.779SS**  cis-143.2176-17.338.9-19.2000117
331A27.3Very low29.3Very low88 Ų88140.6 Ų140.673%0.72778%0.784SS**  trans64.6127138.400000124.9
332S30.3Very low29.5Very low111 Ų111135 Ų13578%0.77678%0.775SS**  104.2130.1124.1740000123.8
333S29.8Very low29.5Very low107 Ų107133.7 Ų133.775%0.74878%0.776SS**  trans89.715513780.30000122.5
334S32.9Very low29.7Very low98 Ų98133.3 Ų133.369%0.68577%0.773SS**  trans65.8111.8168.7630000117.2
335T30.1Very low29.8Very low146 Ų146127.4 Ų127.490%0.89676%0.76SS**  76.7127.164.662.50000115.6
336G28Very low29.8Very low80 Ų80122.9 Ų122.983%0.82575%0.754SS**  trans157.9125.9167.300000112.1
337A29.5Very low29.9Very low98 Ų98123.1 Ų123.181%0.8175%0.749SS**  trans-145.6131-17900000112.6
338V32.3Very low29.8Very low138 Ų138123.5 Ų123.584%0.83675%0.747SS**  trans-156.5136.1155.9-91.60000106.2
339N29.8Very low29.8Very low145 Ų145122.4 Ų122.478%0.77575%0.745SS**  71.4131.550.8-150.535.9000110.5
340S25.5Very low29.8Very low78 Ų78118.6 Ų118.655%0.54574%0.742SS.*  cis-164.217710-148.90000111.8
341K26.2Very low29.2Very low188 Ų188118.5 Ų118.582%0.81774%0.744SS**  trans68.1155.9151.4-74.2168.6-175.9-179.70119
342S30.8Very low29.4Very low80 Ų80120.9 Ų120.956%0.55975%0.745SS**  cis-179.6174-27.253.40000109.9
343N27.9Very low29.5Very low139 Ų139122.3 Ų122.374%0.74374%0.743SS**  trans79.7146.2154.5-64.9-6.4000117
344I30.3Very low29.5Very low130 Ų130123.8 Ų123.867%0.66774%0.739SS**  cis-159.51503.8-125.3170000113.9
345L32.4Very low29.5Very low128 Ų128127.6 Ų127.667%0.6774%0.739SS**  trans55.2119.9156.3-59.1172.7000120.7
346N26.3Very low29.6Very low147 Ų147130.1 Ų130.179%0.78673%0.734SS**  75.1140.390.6-64.313.4000114.2
347S26.7Very low29.6Very low108 Ų108137.5 Ų137.576%0.75574%0.736SS**  cis-155.5-169.74-150.10000108
348T28.2Very low29.5Very low114 Ų114139.6 Ų139.670%0.69974%0.739SS**  cis-145.4-175.812.456.50000111.3
349S27.8Very low29.7Very low100 Ų100141.2 Ų141.270%0.69974%0.741SS**  trans34.1106.715059.70000118.5
350D28.5Very low29.6Very low152 Ų152139.1 Ų139.181%0.81374%0.738SS**  cis73.2111.827.9-157.317000116.1
351S31.6Very low29.7Very low113 Ų113144.9 Ų144.979%0.7975%0.753SS**  trans168.597.5155.2-76.40000111.4
352D32.1Very low29.9Very low139 Ų139143.9 Ų143.974%0.74376%0.756SS**  trans46.7152.4139.3-82.1-34.8000124
353L33.1Very low29.9Very low141 Ų141145.2 Ų145.274%0.73876%0.762SS**  cis-142.3144.43.5-145136.8000113.3
354M29.6Very low29.9Very low137 Ų137148.2 Ų148.268%0.67577%0.772SS**  trans-40.1175.1159.4-73.8-80.8174.600115.4
355R32.2Very low29.8Very low179 Ų179149.5 Ų149.568%0.67578%0.778SS**  cis-164.7166.417.3-125148.1-164.4153.11.3105.5
356Y31.9Very low29.5Very low199 Ų199149.2 Ų149.278%0.7878%0.782SS**  cis-122.1-147.22.1-89.6-81.4000106.8
357R28.3Very low29.8Very low235 Ų235150 Ų15089%0.88779%0.785SS**  cis-157.2117.12.7-159.6178.7-167.1174.24.7110.3
358T28.5Very low29.7Very low142 Ų142151.9 Ų151.987%0.87179%0.787SS**  trans-140.8167.5179.842.90000112.7
359I35.4Very low29.7Very low171 Ų171155.6 Ų155.688%0.87779%0.794SS**  trans-83.5135.7-165-64.1152.4000112.4
360S28.9Very low29.7Very low102 Ų102156.8 Ų156.871%0.71380%0.796SS**  trans-147.3140.6156.157.70000107.2
361K26.6Very low29.4Very low198 Ų198156.9 Ų156.986%0.86180%0.797SS**  cis62.597.336.3-83.3-167.2172.2-1750113.6
362I30.7Very low29.1Very low168 Ų168161 Ų16186%0.86280%0.801SS**PPolyproline II helixtrans-94.3131.1-176.4-61.2167.4000109.8
363P30.1Very low28.8Very low108 Ų108161.7 Ų161.770%0.70180%0.797SS**PPolyproline II helixtrans-85.9154.4165.635.3-32.9000111.6
364Q27.6Very low28.5Very low201 Ų201160.6 Ų160.694%0.93980%0.799SS**PPolyproline II helixtrans-87.4141.1168.5-68.5176.2-49.300110.3
365I29.7Very low28.2Very low158 Ų158159.6 Ų159.681%0.8180%0.796SS**  trans-129.4135.3164.9-66.8-178.6000108
366T26.1Very low28.9Very low122 Ų122156.3 Ų156.375%0.74880%0.798SS**PPolyproline II helixtrans-80.3142.1-179.745.60000112
367L31.3Very low28.6Very low162 Ų162154.7 Ų154.785%0.84880%0.802SS**PPolyproline II helixtrans-103130.5160-88.2170.5000109.3
368N26Very low28.6Very low148 Ų148151.4 Ų151.479%0.79180%0.8SS**PPolyproline II helixtrans-77.4131.1175.7-66.6-29.3000110.3
369F26.7Very low28.3Very low192 Ų192148.8 Ų148.884%0.84279%0.793SS**  trans-131152.8153.5-85.6-82.7000108.7
370V28.2Very low27.7Very low125 Ų125148.5 Ų148.576%0.75879%0.793SS**  trans-78.4129.2-161.3177.10000112.1
371D23.8Very low28.2Very low155 Ų155148.9 Ų148.983%0.82979%0.793SS**  trans-66.3128.1169.3-74.7-57.4000111.6
372F25.1Very low28Very low198 Ų198145.4 Ų145.487%0.86879%0.793SS**  trans-112.8112.8157.8-95.4-83.5000109
373K25Very low27.7Very low154 Ų154140.8 Ų140.867%0.6779%0.787SS**PPolyproline II helixtrans-97.9123.2-175.1-172.6-162.7179.5-1450111.1D375K373-D375 VanDerWaalsContact CE-OD1 3.23Å; K373-D375 WeakPolarHBondContact CE-OD1 3.32Å; K373-D375 WeakPolarHBondContact CE-OD2 3.49Å; K373-D375 IonicContact NZ-OD1 2.65Å; K373-D375 PolarHBondContact NZ-OD1 3.49Å; K373-D375 IonicContact NZ-OD2 2.83Å; K373-D375 PolarHBondContact NZ-OD2 2.84Å
374P27.3Very low27.6Very low118 Ų118144.1 Ų144.177%0.76679%0.793SS**PPolyproline II helixtrans-96.9122.8162.733.4-26.9000110.9
375D23.5Very low27.6Very low116 Ų116141.9 Ų141.962%0.6279%0.785SS**PPolyproline II helixtrans-90.5152.4159.9-72.6-59.2000109.8K373K373-D375 VanDerWaalsContact CE-OD1 3.23Å; K373-D375 WeakPolarHBondContact CE-OD1 3.32Å; K373-D375 WeakPolarHBondContact CE-OD2 3.49Å; K373-D375 IonicContact NZ-OD1 2.65Å; K373-D375 PolarHBondContact NZ-OD1 3.49Å; K373-D375 IonicContact NZ-OD2 2.83Å; K373-D375 PolarHBondContact NZ-OD2 2.84Å
376P45.4Very low27.3Very low110 Ų110140.7 Ų140.771%0.71478%0.78SS**PPolyproline II helixtrans-94.4159.2-172.137-36.2000113.7
377L25.7Very low27.4Very low166 Ų166141.5 Ų141.587%0.86978%0.778SS**  trans173.6169140-97.4162000112.3
378I28.9Very low27.1Very low165 Ų165140.8 Ų140.885%0.84677%0.774SS**  trans69.7142.7169.8-40.7-176.3000115.9
379A22.5Very low27.4Very low88 Ų88137.7 Ų137.773%0.72777%0.769SS**  cis-169.9164.4-43.400000108.2
380L22.8Very low28.1Very low164 Ų164133.9 Ų133.986%0.85976%0.763SS**  trans-75.6178168.9-112.968.6000111.7
381P38.5Very low28Very low111 Ų111133.2 Ų133.272%0.72176%0.763SS**  cis-142.4-169.6-13.432.3-9.1000115.7
382S23.9Very low28.4Very low124 Ų124135 Ų13587%0.86776%0.764SS**  trans103.5138131.2-155.20000121.2
383G24.3Very low28.7Very low71 Ų71133.9 Ų133.973%0.73277%0.765SS**  trans100.4129.7172.600000114.2
384E26.3Very low29.5Very low178 Ų178133.5 Ų133.583%0.83277%0.769SS**  cis-155.1163-5.2-165.3165.117900110.9
385M28.5Very low29.8Very low155 Ų155134.1 Ų134.176%0.76477%0.766SS**  trans-29.6154.9175.7-75.5142.955.800119
386D24.5Very low30.4Very low133 Ų133139.3 Ų139.371%0.71178%0.777SS**  cis-158.1-155.7-3.1-137.1-17.4000109.1
387I27.9Very low29.9Very low139 Ų139140.1 Ų140.171%0.71378%0.78SS**  cis-149.5163.89.9-146.2162.5000114.4
388I25Very low30.3Very low147 Ų147140.1 Ų140.175%0.75478%0.775SS**  trans-10131.5163.2-65.8168.9000119.8
389A30.8Very low30.5Very low82 Ų82139.1 Ų139.168%0.67877%0.772SS**  trans-98-159.5168.600000110.7
390P42.2Very low31.4Very low113 Ų113140 Ų14073%0.73477%0.767SS**  cis-140.7178.3-0.239.8-19000116.4
391C25.7Very low32.1Very low111 Ų111136.8 Ų136.875%0.7576%0.755SS**  trans150.4137.6130.8-82.50000115.1
392K32.3Very low31.9Very low193 Ų193139.1 Ų139.184%0.83976%0.756SS**  trans48.583.2149.9-61.8179.9-179.8176.10118.5
393L31.3Very low32.4Very low173 Ų173141.1 Ų141.191%0.90675%0.749SS**  -144.6114.3124.4-14776.1000111.4
394I42.6Very low33Very low146 Ų146141.9 Ų141.975%0.74974%0.74SS**  trans-90.3161.5167.2-72.2171.1000107.7
395D33.8Very low33.2Very low131 Ų131138.1 Ų138.170%0.70173%0.729SS**SBendtrans6890.5176.6-64.7-24.9000118.7
396R34.7Very low33.5Very low225 Ų225138.7 Ų138.785%0.84973%0.73SS**SBend-165.4-17127.6-113162.5-172.977.7-2.5119.3
397T36Very low34Very low128 Ų128138.1 Ų138.179%0.78573%0.731SS**SBendtrans-105.920.1-158.5420000117.8
398H34.8Very low34.2Very low165 Ų165138.7 Ų138.776%0.76474%0.735SS**SBendtrans-91.4-7.3178.1-100.6-87.9000116.2V400H398-V400 PolarHBondContact O-N 3.11Å
399N33Very low34.5Very low145 Ų145136.5 Ų136.578%0.77573%0.732SS**SBendtrans-92.38.3-168.7-67.9-0.2000115.7
400V39.6Very low34.8Very low105 Ų105140.4 Ų140.464%0.63674%0.741SS**SBendtrans-111.1-35.9-170.6-178.30000113.2H398H398-V400 PolarHBondContact O-N 3.11Å
401T38.3Very low34.5Very low97 Ų97139 Ų13960%0.59575%0.747SS**SBendtrans-73.5-36.1-173.542.40000113.8K403 V404 T405T401-K403 VanDerWaalsContact C-N 3.29Å; T401-K403 PolarHBondContact O-N 3.44Å; T401-V404 PolarHBondContact O-N 3.19Å; T401-T405 PolarHBondContact O-N 2.8Å
402E34.4Very low34.9Very low161 Ų161137.5 Ų137.575%0.75274%0.743SS**Hα-helixtrans-68.6-25.6-178.1-161.6176.1-135.900113.2T405E402-T405 PolarHBondContact O-OG1 2.77Å
403K33.8Very low35.1Very low165 Ų165133.7 Ų133.772%0.71773%0.731SS**Hα-helixtrans-80.6-17.7175.8-83.5-165.4171.5-170.60114.5T401 V407T401-K403 VanDerWaalsContact C-N 3.29Å; T401-K403 PolarHBondContact O-N 3.44Å; K403-V407 WeakPolarHBondContact O-CG2 3.17Å
404V37.3Very low35.6Very low88 Ų88132.1 Ų132.153%0.53373%0.729SS.*Hα-helixtrans-87-36.41801790000110.8T401 Q406 V407T401-V404 PolarHBondContact O-N 3.19Å; V404-Q406 VanDerWaalsContact C-N 3.34Å; V404-Q406 PolarHBondContact O-N 2.72Å; V404-V407 PolarHBondContact O-N 3.38Å
405T30.8Very low35.2Very low99 Ų99131.8 Ų131.861%0.60773%0.728SS**Hα-helixtrans-67.8-31.3176.951.60000113T401 E402 V407 L408T401-T405 PolarHBondContact O-N 2.8Å; E402-T405 PolarHBondContact O-OG1 2.77Å; T405-V407 PolarHBondContact O-N 3.03Å; T405-L408 PolarHBondContact O-N 3.02Å
406Q35.1Very low35.4Very low166 Ų166131.7 Ų131.778%0.77674%0.735SS**THydrogen-bonded Turntrans-69.4-14.6177.3-161.3169.241.400113.8V404V404-Q406 VanDerWaalsContact C-N 3.34Å; V404-Q406 PolarHBondContact O-N 2.72Å
407V34.7Very low35.5Very low122 Ų122126.4 Ų126.474%0.73972%0.719SS**THydrogen-bonded Turntrans-87.8-17.3-177.8175.60000113.1K403 V404 T405K403-V407 WeakPolarHBondContact O-CG2 3.17Å; V404-V407 PolarHBondContact O-N 3.38Å; T405-V407 PolarHBondContact O-N 3.03Å
408L32.4Very low35.6Very low150 Ų150131.7 Ų131.779%0.78573%0.727SS**SBendtrans-103.1-0-172.8-77.1164.6000115.2T405T405-L408 PolarHBondContact O-N 3.02Å
409S30.2Very low35.4Very low101 Ų101130.1 Ų130.171%0.70672%0.718SS**SBendtrans-107.532.3-170-170.40000115.2
410L38.7Very low35.8Very low164 Ų164132 Ų13286%0.85973%0.726SS**  trans-134.635.4173.6-14675.6000114.2A412L410-A412 PolarHBondContact O-N 2.73Å
411G35.8Very low35.7Very low83 Ų83133 Ų13386%0.85672%0.724SS**  trans-72.762.4174.900000114.3
412A33.6Very low36Very low81 Ų81132.2 Ų132.267%0.66973%0.728SS**  trans-164.378.4170.500000112.9L410L410-A412 PolarHBondContact O-N 2.73Å
413D37Very low36.8Very low112 Ų112127.5 Ų127.560%0.59971%0.711SS**  trans-170.445.5152.1-103.9-13.3000110.4L415 R424D413-L415 PolarHBondContact O-N 2.93Å; D413-R424 IonicContact OD2-CZ 3.46Å; D413-R424 IonicContact OD2-NH2 2.72Å; D413-R424 PolarHBondContact OD2-NH2 3.45Å
414V40.8Very low37.8Very low141 Ų141128.3 Ų128.386%0.85571%0.709SS**  trans-88.689179.9-178.30000110.4
415L33.7Very low39Very low139 Ų139128 Ų12873%0.72870%0.704SS**  trans-179132.1154.2-102.6164.5000109.1D413 E417D413-L415 PolarHBondContact O-N 2.93Å; L415-E417 PolarHBondContact O-N 3.13Å
416P39Very low40.5Very low129 Ų129128.9 Ų128.984%0.83870%0.701SS**  trans-79.264.5174.734.2-35.4000110.8Y418P416-Y418 PolarHBondContact O-N 3.41Å
417E36.5Very low42.2Very low114 Ų114130.7 Ų130.753%0.53371%0.706SS.*  trans-68.7119.2176.8-89-161.3129.700111.4L415 K419L415-E417 PolarHBondContact O-N 3.13Å; E417-K419 HydrophobicContact CB-CD 4.46Å; E417-K419 HydrophobicContact CB-CG 4.35Å; E417-K419 PolarHBondContact O-N 2.72Å; E417-K419 WeakPolarHBondContact OE1-CE 3.42Å; E417-K419 IonicContact OE1-NZ 3.79Å; E417-K419 PolarHBondContact OE1-NZ 2.83Å; E417-K419 WeakPolarHBondContact OE2-CD 3.42Å; E417-K419 VanDerWaalsContact OE2-CE 3.24Å; E417-K419 WeakPolarHBondContact OE2-CE 3.38Å; E417-K419 IonicContact OE2-NZ 3.4Å; E417-K419 PolarHBondContact OE2-NZ 2.85Å
418Y38.9Very low44.3Very low238 Ų238134 Ų13493%0.93371%0.706SS**  trans-72.253.2171.4-167.3-98.6000111.5P416P416-Y418 PolarHBondContact O-N 3.41Å
419K29.4Very low46.9Very low133 Ų133127.6 Ų127.658%0.57867%0.673SS**SBendtrans-97148.1171.4-74.4178.6-177.6156.60109.2E417 Q421E417-K419 HydrophobicContact CB-CD 4.46Å; E417-K419 HydrophobicContact CB-CG 4.35Å; E417-K419 PolarHBondContact O-N 2.72Å; E417-K419 WeakPolarHBondContact OE1-CE 3.42Å; E417-K419 IonicContact OE1-NZ 3.79Å; E417-K419 PolarHBondContact OE1-NZ 2.83Å; E417-K419 WeakPolarHBondContact OE2-CD 3.42Å; E417-K419 VanDerWaalsContact OE2-CE 3.24Å; E417-K419 WeakPolarHBondContact OE2-CE 3.38Å; E417-K419 IonicContact OE2-NZ 3.4Å; E417-K419 PolarHBondContact OE2-NZ 2.85Å; K419-Q421 PolarHBondContact O-N 3.09Å
420L40.9Very low49.8Very low183 Ų183124.4 Ų124.496%0.95865%0.649SS**  trans-7173.2164.8-69.691.5000109A422L420-A422 PolarHBondContact O-N 3.12Å
421Q37.5Very low52.1Low127 Ų127118.1 Ų118.159%0.59362%0.616SS**PPolyproline II helixtrans-65116.1178-154.917832.600107.6K419K419-Q421 PolarHBondContact O-N 3.09Å
422A44.4Very low54.5Low81 Ų81115.2 Ų115.267%0.66958%0.58SS**PPolyproline II helixtrans-54.6132.7176.800000108.5L420 R424L420-A422 PolarHBondContact O-N 3.12Å; A422-R424 PolarHBondContact O-N 3.47Å
423P52.6Low57Low61 Ų61115.9 Ų115.940%0.39657%0.566SS.*PPolyproline II helixtrans-56.1140.1-168.223.5-35.8000110.3V8 I425V8-P423 HydrophobicContact CB-CG 4.4Å; V8-P423 HydrophobicContact CG1-CB 3.92Å; V8-P423 HydrophobicContact CG1-CG 3.7Å; V8-P423 HydrophobicContact CG2-CG 3.75Å; P423-I425 PolarHBondContact O-N 3.13Å
424R55Low59.4Low182 Ų182112 Ų11269%0.68755%0.548SS*.  trans-61.380.2179.4-73.4178.6172.4166.4-5.4110.6D413 A422D413-R424 IonicContact OD2-CZ 3.46Å; D413-R424 IonicContact OD2-NH2 2.72Å; D413-R424 PolarHBondContact OD2-NH2 3.45Å; A422-R424 PolarHBondContact O-N 3.47Å
425I62.6Low61.6Low82 Ų82110.2 Ų110.242%0.42154%0.539SS..  trans-65.6137.2178.647.9172.4000110.1P423 L431P423-I425 PolarHBondContact O-N 3.13Å; I425-L431 HydrophobicContact CG2-CD1 4.15Å
426H62.2Low64.4Low117 Ų117109 Ų10954%0.54253%0.528SS..  trans-62138.2178.6-173.678.2000110.2W428 T429H426-W428 PolarHBondContact O-N 3.32Å; H426-T429 HydrophobicContact CB-CG2 4.46Å; H426-T429 PolarHBondContact O-N 2.91Å; H426-T429 VanDerWaalsContact O-N 3.1Å; H426-T429 PolarHBondContact O-OG1 3.39Å
427K69.7Low66.8Low204 Ų204103.3 Ų103.389%0.88749%0.49SS*.THydrogen-bonded Turntrans-56.6-7.3-170-65.9-175.9177.1-179.70116.2
428W80.2Confident69.2Low192 Ų19299.8 Ų99.873%0.72748%0.481SS*.THydrogen-bonded Turntrans-131.135.8-178-60.487.3000113.2H426 R501H426-W428 PolarHBondContact O-N 3.32Å; W428-R501 PolarHBondContact O-NH1 2.75Å
429T86.9Confident71.7Confident16 Ų1693.4 Ų93.410%0.09847%0.466CS..  trans-122.8144.7167.958.40000111.6H426 R501H426-T429 HydrophobicContact CB-CG2 4.46Å; H426-T429 PolarHBondContact O-N 2.91Å; H426-T429 VanDerWaalsContact O-N 3.1Å; H426-T429 PolarHBondContact O-OG1 3.39Å; T429-R501 WeakPolarHBondContact CA-O 3.42Å
430V89.3Confident74.7Confident33 Ų3388.4 Ų88.420%0.244%0.444CS..BIsolated β-bridgetrans-105131.4-176.5179.80000109.2F436 K437 R501 T502 T503V430-F436 HydrophobicContact CG1-CD1 4.36Å; V430-K437 HydrophobicContact CG1-CB 4.11Å; V430-R501 PolarHBondContact N-O 3.48Å; V430-T502 HydrophobicContact CB-CG2 3.95Å; V430-T502 HydrophobicContact CG1-CG2 4.09Å; V430-T502 CarbonylContact O-C 3.53Å; V430-T502 VanDerWaalsContact O-CA 3.23Å; V430-T502 WeakPolarHBondContact O-CA 3.4Å; V430-T503 PolarHBondContact O-N 3.43Å
431L87.6Confident77Confident33 Ų3379.8 Ų79.817%0.17340%0.399CS..  trans-78.1131.9177.8-126.852.5000110.5I425 Y433 S434 T503I425-L431 HydrophobicContact CG2-CD1 4.15Å; L431-Y433 HydrophobicContact CD2-CD2 4.34Å; L431-Y433 HydrophobicContact CD2-CE1 3.95Å; L431-Y433 HydrophobicContact CD2-CE2 3.6Å; L431-Y433 WeakPolarHBondContact CD2-OH 3.41Å; L431-Y433 HydrophobicContact CG-CD1 4.33Å; L431-Y433 HydrophobicContact CG-CE1 3.9Å; L431-Y433 HydrophobicContact CG-CE2 4.26Å; L431-Y433 PolarHBondContact O-N 3.44Å; L431-Y433 VanDerWaalsContact O-N 3.16Å; L431-S434 WeakPolarHBondContact O-CB 3.47Å; L431-S434 PolarHBondContact O-N 2.92Å; L431-T503 HydrophobicContact CD1-CG2 3.9Å
432H87.2Confident79.5Confident22 Ų2279.7 Ų79.710%0.10239%0.393CS..THydrogen-bonded Turntrans-61.5-24.5-17958.8-92.6000114.4T503 V505H432-T503 WeakPolarHBondContact CB-O 3.4Å; H432-T503 PolarHBondContact N-OG1 3.29Å; H432-T503 PolarHBondContact ND1-O 3.12Å; H432-T503 PolarHBondContact ND1-OG1 3.01Å; H432-V505 VanDerWaalsContact CE1-CG2 3.5Å; H432-V505 WeakPolarHBondContact CE1-CG2 3.31Å
433Y84.5Confident81.8Confident94 Ų9479.3 Ų79.337%0.36938%0.379SS..THydrogen-bonded Turntrans-97.39.7173.763.5-102.7000113.9R5 L431R5-Y433 HydrophobicContact CG-CD1 4.28Å; R5-Y433 HydrophobicContact CG-CG 4.48Å; L431-Y433 HydrophobicContact CD2-CD2 4.34Å; L431-Y433 HydrophobicContact CD2-CE1 3.95Å; L431-Y433 HydrophobicContact CD2-CE2 3.6Å; L431-Y433 WeakPolarHBondContact CD2-OH 3.41Å; L431-Y433 HydrophobicContact CG-CD1 4.33Å; L431-Y433 HydrophobicContact CG-CE1 3.9Å; L431-Y433 HydrophobicContact CG-CE2 4.26Å; L431-Y433 PolarHBondContact O-N 3.44Å; L431-Y433 VanDerWaalsContact O-N 3.16Å
434S88.1Confident83.6Confident31 Ų3176.5 Ų76.522%0.21736%0.361CS..  trans-63.6138.8176.1176.70000111L431 F436 K437 A438L431-S434 WeakPolarHBondContact O-CB 3.47Å; L431-S434 PolarHBondContact O-N 2.92Å; S434-F436 PolarHBondContact O-N 2.86Å; S434-F436 PolarHBondContact OG-N 2.9Å; S434-K437 PolarHBondContact O-N 3.21Å; S434-A438 PolarHBondContact O-N 2.92Å
435P87.9Confident85.3Confident104 Ų10468.3 Ų68.368%0.67533%0.33SS*.Hα-helixtrans-59.3-34.217624.5-34.1000112.2K437 A438 V439P435-K437 PolarHBondContact O-N 2.99Å; P435-A438 PolarHBondContact O-N 3.33Å; P435-V439 WeakPolarHBondContact O-CG2 3.44Å; P435-V439 PolarHBondContact O-N 3.45Å
436F91.3Very high86.6Confident112 Ų11269.9 Ų69.949%0.49134%0.339SS..Hα-helixtrans-58.9-45.9171.5169.1-101.1000111.7V430 S434 A438 V439 W440V430-F436 HydrophobicContact CG1-CD1 4.36Å; S434-F436 PolarHBondContact O-N 2.86Å; S434-F436 PolarHBondContact OG-N 2.9Å; F436-A438 VanDerWaalsContact C-N 3.33Å; F436-A438 PolarHBondContact O-N 3.5Å; F436-V439 PolarHBondContact O-N 3.24Å; F436-W440 HydrophobicContact CZ-CE3 4.2Å; F436-W440 WeakPolarHBondContact O-CB 3.23Å; F436-W440 PolarHBondContact O-N 3.04Å
437K89.9Confident88Confident10 Ų1065.5 Ų65.54%0.04332%0.32CS..Hα-helixtrans-68.2-33.5179.6-172.756.1168.676.60111.9V430 S434 P435 D441 I498 T502V430-K437 HydrophobicContact CG1-CB 4.11Å; S434-K437 PolarHBondContact O-N 3.21Å; P435-K437 PolarHBondContact O-N 2.99Å; K437-D441 IonicContact NZ-OD1 3.48Å; K437-D441 PolarHBondContact NZ-OD1 2.92Å; K437-D441 IonicContact NZ-OD2 2.69Å; K437-D441 PolarHBondContact NZ-OD2 3.16Å; K437-D441 WeakPolarHBondContact O-CB 3.49Å; K437-D441 VanDerWaalsContact O-CG 3.26Å; K437-D441 PolarHBondContact O-N 3.27Å; K437-I498 HydrophobicContact CD-CG2 4.25Å; K437-T502 HydrophobicContact CD-CG2 3.94Å; K437-T502 HydrophobicContact CG-CG2 4.46Å
438A88.1Confident89.1Confident40 Ų4055.9 Ų55.933%0.33128%0.278SS..Hα-helixtrans-64.6-48173.500000112S434 P435 F436 W440 D441 W442S434-A438 PolarHBondContact O-N 2.92Å; P435-A438 PolarHBondContact O-N 3.33Å; F436-A438 VanDerWaalsContact C-N 3.33Å; F436-A438 PolarHBondContact O-N 3.5Å; A438-W440 VanDerWaalsContact C-N 3.35Å; A438-W440 PolarHBondContact O-N 3.36Å; A438-D441 PolarHBondContact O-N 3.43Å; A438-W442 VanDerWaalsContact O-CD1 3.23Å; A438-W442 PolarHBondContact O-N 3.5Å; A438-W442 VanDerWaalsContact O-N 3.15Å
439V91.1Very high89.6Confident104 Ų10448.1 Ų48.163%0.6325%0.251SS*.Hα-helixtrans-62.7-41.7175.4173.90000111.3P435 F436 D441 W442 L443P435-V439 WeakPolarHBondContact O-CG2 3.44Å; P435-V439 PolarHBondContact O-N 3.45Å; F436-V439 PolarHBondContact O-N 3.24Å; V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 PolarHBondContact O-N 2.86Å; V439-W442 PolarHBondContact O-N 3.41Å; V439-L443 PolarHBondContact O-N 2.94Å
440W92.3Very high89.9Confident29 Ų2950.1 Ų50.111%0.1126%0.256CS..Hα-helixtrans-61.3-40.6174.4-172.9-89.3000112.3F436 A438 W442 L443 I444 M491 I494 D495 I498F436-W440 HydrophobicContact CZ-CE3 4.2Å; F436-W440 WeakPolarHBondContact O-CB 3.23Å; F436-W440 PolarHBondContact O-N 3.04Å; A438-W440 VanDerWaalsContact C-N 3.35Å; A438-W440 PolarHBondContact O-N 3.36Å; W440-W442 VanDerWaalsContact C-N 3.32Å; W440-W442 PolarHBondContact O-N 3Å; W440-L443 HydrophobicContact CE3-CD2 4.31Å; W440-L443 HydrophobicContact CZ3-CD2 4.31Å; W440-L443 PolarHBondContact O-N 2.94Å; W440-I444 HydrophobicContact CZ2-CD1 4.19Å; W440-I444 WeakPolarHBondContact O-CG1 3.28Å; W440-I444 PolarHBondContact O-N 3.12Å; W440-M491 HydrophobicContact CH2-CE 3.39Å; W440-M491 HydrophobicContact CH2-SD 4.12Å; W440-M491 HydrophobicContact CZ2-CE 4.07Å; W440-M491 HydrophobicContact CZ3-CE 3.83Å; W440-I494 HydrophobicContact CH2-CB 4.4Å; W440-I494 HydrophobicContact CH2-CG2 3.65Å; W440-I494 HydrophobicContact CZ2-CB 4.36Å; W440-I494 HydrophobicContact CZ2-CG2 3.79Å; W440-D495 PolarHBondContact NE1-OD1 2.66Å; W440-I498 HydrophobicContact CD2-CD1 3.85Å; W440-I498 VanDerWaalsContact CE2-CD1 3.47Å; W440-I498 HydrophobicContact CE3-CD1 4.25Å; W440-I498 HydrophobicContact CG-CD1 4.47Å; W440-I498 HydrophobicContact CH2-CD1 3.99Å; W440-I498 HydrophobicContact CZ2-CD1 3.57Å; W440-I498 HydrophobicContact CZ3-CD1 4.3Å
441D89.4Confident90Very high2 Ų248.8 Ų48.81%0.01125%0.248CC..Hα-helixtrans-65.6-32.7177.5-78.7-34.7000112.8K437 A438 V439 L445 K569 R572 Y573K437-D441 IonicContact NZ-OD1 3.48Å; K437-D441 PolarHBondContact NZ-OD1 2.92Å; K437-D441 IonicContact NZ-OD2 2.69Å; K437-D441 PolarHBondContact NZ-OD2 3.16Å; K437-D441 WeakPolarHBondContact O-CB 3.49Å; K437-D441 VanDerWaalsContact O-CG 3.26Å; K437-D441 PolarHBondContact O-N 3.27Å; A438-D441 PolarHBondContact O-N 3.43Å; V439-D441 VanDerWaalsContact C-N 3.34Å; V439-D441 PolarHBondContact O-N 2.86Å; D441-L445 WeakPolarHBondContact O-CB 3.28Å; D441-L445 PolarHBondContact O-N 3.18Å; D441-K569 HydrophobicContact CB-CD 4.49Å; D441-K569 WeakPolarHBondContact OD1-CE 3.41Å; D441-K569 IonicContact OD1-NZ 3.99Å; D441-K569 PolarHBondContact OD1-NZ 3.23Å; D441-R572 IonicContact OD2-CZ 2.69Å; D441-R572 IonicContact OD2-NH1 3.29Å; D441-R572 PolarHBondContact OD2-NH1 3.4Å; D441-Y573 PolarHBondContact O-OH 2.97Å
442W89.3Confident90.2Very high125 Ų12547.2 Ų47.247%0.47324%0.24SC..Hα-helixtrans-70.3-40.6169.6-77.7107.6000113.1A438 V439 W440 L445 L446 Y573 A579A438-W442 VanDerWaalsContact O-CD1 3.23Å; A438-W442 PolarHBondContact O-N 3.5Å; A438-W442 VanDerWaalsContact O-N 3.15Å; V439-W442 PolarHBondContact O-N 3.41Å; W440-W442 VanDerWaalsContact C-N 3.32Å; W440-W442 PolarHBondContact O-N 3Å; W442-L445 HydrophobicContact CE3-CD2 3.79Å; W442-L445 HydrophobicContact CZ3-CD2 3.72Å; W442-L445 WeakPolarHBondContact O-CB 3.19Å; W442-L445 PolarHBondContact O-N 2.97Å; W442-L446 PolarHBondContact O-N 2.97Å; W442-Y573 HydrophobicContact CH2-CD1 4.34Å; W442-Y573 HydrophobicContact CH2-CE1 4.39Å; W442-Y573 HydrophobicContact CZ2-CD1 4.23Å; W442-Y573 HydrophobicContact CZ2-CE1 4.17Å; W442-A579 HydrophobicContact CH2-CB 4.47Å
443L92.2Very high90.5Very high73 Ų7349.2 Ų49.238%0.38225%0.251SS..Hα-helixtrans-61.5-44.4175.1-179.662000111.2V439 W440 L446 L447 M491V439-L443 PolarHBondContact O-N 2.94Å; W440-L443 HydrophobicContact CE3-CD2 4.31Å; W440-L443 HydrophobicContact CZ3-CD2 4.31Å; W440-L443 PolarHBondContact O-N 2.94Å; L443-L446 PolarHBondContact O-N 3.46Å; L443-L447 HydrophobicContact CD1-CD1 4.49Å; L443-L447 HydrophobicContact CG-CD1 4.12Å; L443-L447 VanDerWaalsContact O-CG 3.32Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 2.84Å; L443-M491 HydrophobicContact CD2-CE 3.63Å; L443-M491 HydrophobicContact CG-CE 4.36Å
444I91.6Very high90.7Very high2 Ų246.6 Ų46.61%0.0124%0.243CC..Hα-helixtrans-65.6-37.5175.1-65.7-67.9000111.3W440 L446 L447 V448 F492 D495W440-I444 HydrophobicContact CZ2-CD1 4.19Å; W440-I444 WeakPolarHBondContact O-CG1 3.28Å; W440-I444 PolarHBondContact O-N 3.12Å; I444-L446 PolarHBondContact O-N 3.47Å; I444-L447 HydrophobicContact CD1-CD1 4.08Å; I444-L447 PolarHBondContact O-N 3.24Å; I444-V448 HydrophobicContact CG2-CG2 4.34Å; I444-V448 VanDerWaalsContact O-CG2 3.26Å; I444-V448 WeakPolarHBondContact O-CG2 3.4Å; I444-V448 PolarHBondContact O-N 3.42Å; I444-F492 HydrophobicContact CG2-CE1 4.16Å; I444-D495 HydrophobicContact CD1-CB 3.73Å; I444-D495 HydrophobicContact CG1-CB 4.34Å
445L89.1Confident90.7Very high9 Ų945.5 Ų45.55%0.04724%0.235CC..Hα-helixtrans-59.8-45.3173.7178.262.7000111.8D441 W442 V448 I449 V566 Y573 L583D441-L445 WeakPolarHBondContact O-CB 3.28Å; D441-L445 PolarHBondContact O-N 3.18Å; W442-L445 HydrophobicContact CE3-CD2 3.79Å; W442-L445 HydrophobicContact CZ3-CD2 3.72Å; W442-L445 WeakPolarHBondContact O-CB 3.19Å; W442-L445 PolarHBondContact O-N 2.97Å; L445-V448 PolarHBondContact O-N 3Å; L445-I449 HydrophobicContact CD1-CD1 4.27Å; L445-I449 HydrophobicContact CG-CD1 4.13Å; L445-I449 WeakPolarHBondContact O-CG1 3.09Å; L445-I449 PolarHBondContact O-N 3.37Å; L445-V566 HydrophobicContact CD1-CB 4.39Å; L445-V566 HydrophobicContact CD1-CG1 3.83Å; L445-V566 HydrophobicContact CD1-CG2 3.69Å; L445-Y573 HydrophobicContact CD2-CE1 4.44Å; L445-Y573 HydrophobicContact CD2-CE2 4.12Å; L445-L583 HydrophobicContact CD1-CD2 4.39Å; L445-L583 HydrophobicContact CD2-CD2 4.25Å
446L90.9Very high90.8Very high116 Ų11641.3 Ų41.361%0.60721%0.208SC*.Hα-helixtrans-61.4-44.5175.7179.864.3000112W442 L443 I444 V448 I449 Y450W442-L446 PolarHBondContact O-N 2.97Å; L443-L446 PolarHBondContact O-N 3.46Å; I444-L446 PolarHBondContact O-N 3.47Å; L446-V448 VanDerWaalsContact C-N 3.33Å; L446-V448 PolarHBondContact O-N 3.4Å; L446-I449 PolarHBondContact O-N 3.19Å; L446-Y450 PolarHBondContact O-N 3.39Å
447L92.1Very high90.8Very high25 Ų2538.7 Ų38.713%0.13120%0.195CC..Hα-helixtrans-62.8-37.2176-71163.4000112.1L443 I444 Y450 T451 V488 M491 F492L443-L447 HydrophobicContact CD1-CD1 4.49Å; L443-L447 HydrophobicContact CG-CD1 4.12Å; L443-L447 VanDerWaalsContact O-CG 3.32Å; L443-L447 WeakPolarHBondContact O-CG 3.47Å; L443-L447 PolarHBondContact O-N 2.84Å; I444-L447 HydrophobicContact CD1-CD1 4.08Å; I444-L447 PolarHBondContact O-N 3.24Å; L447-Y450 PolarHBondContact O-N 2.99Å; L447-T451 WeakPolarHBondContact O-CG2 3.29Å; L447-T451 PolarHBondContact O-N 2.88Å; L447-T451 PolarHBondContact O-OG1 3.34Å; L447-V488 HydrophobicContact CD2-CB 4.48Å; L447-V488 HydrophobicContact CD2-CG1 4.32Å; L447-V488 HydrophobicContact CD2-CG2 3.86Å; L447-M491 HydrophobicContact CD1-CB 3.92Å; L447-M491 HydrophobicContact CD1-CE 4.14Å; L447-M491 HydrophobicContact CD1-CG 4.38Å; L447-F492 HydrophobicContact CB-CE2 4.2Å; L447-F492 HydrophobicContact CB-CZ 3.96Å
448V92.1Very high90.5Very high1 Ų139.5 Ų39.51%0.00620%0.202CC..Hα-helixtrans-66.2-45174.2175.10000110.9I444 L445 L446 Y450 T451 A452 F492 R562 L563 V566I444-V448 HydrophobicContact CG2-CG2 4.34Å; I444-V448 VanDerWaalsContact O-CG2 3.26Å; I444-V448 WeakPolarHBondContact O-CG2 3.4Å; I444-V448 PolarHBondContact O-N 3.42Å; L445-V448 PolarHBondContact O-N 3Å; L446-V448 VanDerWaalsContact C-N 3.33Å; L446-V448 PolarHBondContact O-N 3.4Å; V448-Y450 VanDerWaalsContact C-N 3.33Å; V448-Y450 PolarHBondContact O-N 3.47Å; V448-T451 WeakPolarHBondContact CA-OG1 3.48Å; V448-T451 PolarHBondContact O-N 3.18Å; V448-T451 VanDerWaalsContact O-N 3.15Å; V448-T451 PolarHBondContact O-OG1 2.83Å; V448-A452 WeakPolarHBondContact O-CB 3.4Å; V448-A452 PolarHBondContact O-N 3.16Å; V448-F492 HydrophobicContact CG2-CE1 3.72Å; V448-F492 HydrophobicContact CG2-CZ 3.71Å; V448-R562 HydrophobicContact CG1-CB 4.36Å; V448-R562 HydrophobicContact CG2-CB 4.23Å; V448-L563 HydrophobicContact CG1-CD2 3.7Å; V448-L563 HydrophobicContact CG1-CG 3.94Å; V448-V566 HydrophobicContact CB-CG2 4.21Å; V448-V566 HydrophobicContact CG1-CG2 3.73Å
449I91.1Very high90.2Very high30 Ų3039 Ų3915%0.15420%0.198CC..Hα-helixtrans-59.8-43.6176.8-67.1163.9000110.7L445 L446 T451 A452 I453L445-I449 HydrophobicContact CD1-CD1 4.27Å; L445-I449 HydrophobicContact CG-CD1 4.13Å; L445-I449 WeakPolarHBondContact O-CG1 3.09Å; L445-I449 PolarHBondContact O-N 3.37Å; L446-I449 PolarHBondContact O-N 3.19Å; I449-T451 PolarHBondContact O-N 2.97Å; I449-A452 PolarHBondContact O-N 3.37Å; I449-I453 HydrophobicContact CG2-CD1 4.11Å; I449-I453 WeakPolarHBondContact O-CG1 3.48Å; I449-I453 PolarHBondContact O-N 3.34Å; I449-I453 VanDerWaalsContact O-N 3.16Å
450Y92.6Very high89.9Confident57 Ų5734.6 Ų34.622%0.22417%0.173CC..Hα-helixtrans-53.8-52.5171.7170.4-89.5000111.3L446 L447 V448 A452 I453 L454 V484 D485 V488L446-Y450 PolarHBondContact O-N 3.39Å; L447-Y450 PolarHBondContact O-N 2.99Å; V448-Y450 VanDerWaalsContact C-N 3.33Å; V448-Y450 PolarHBondContact O-N 3.47Å; Y450-A452 VanDerWaalsContact C-N 3.28Å; Y450-A452 PolarHBondContact O-N 2.96Å; Y450-I453 PolarHBondContact O-N 2.8Å; Y450-I453 VanDerWaalsContact O-N 3.15Å; Y450-L454 HydrophobicContact CD2-CD2 4.03Å; Y450-L454 HydrophobicContact CD2-CG 4.28Å; Y450-L454 HydrophobicContact CE1-CB 4.33Å; Y450-L454 HydrophobicContact CE1-CG 4.22Å; Y450-L454 HydrophobicContact CE2-CD2 3.88Å; Y450-L454 HydrophobicContact CE2-CG 3.74Å; Y450-L454 PolarHBondContact O-N 3.21Å; Y450-V484 HydrophobicContact CE1-CG1 4.39Å; Y450-V484 HydrophobicContact CE2-CG1 4.24Å; Y450-V484 WeakPolarHBondContact OH-CG1 3.33Å; Y450-D485 VanDerWaalsContact CE1-OD1 3.24Å; Y450-D485 WeakPolarHBondContact CE1-OD1 3.41Å; Y450-D485 PolarHBondContact OH-OD1 3.24Å; Y450-V488 HydrophobicContact CD1-CG1 4.3Å; Y450-V488 HydrophobicContact CD1-CG2 3.97Å; Y450-V488 HydrophobicContact CE1-CG1 4.49Å; Y450-V488 HydrophobicContact CE1-CG2 3.82Å
451T91.4Very high89.5Confident5 Ų533.3 Ų33.33%0.03117%0.168CC..Hα-helixtrans-63.7-31.7179.758.60000113.5L447 V448 I449 I453 T455 V488 F492L447-T451 WeakPolarHBondContact O-CG2 3.29Å; L447-T451 PolarHBondContact O-N 2.88Å; L447-T451 PolarHBondContact O-OG1 3.34Å; V448-T451 WeakPolarHBondContact CA-OG1 3.48Å; V448-T451 PolarHBondContact O-N 3.18Å; V448-T451 VanDerWaalsContact O-N 3.15Å; V448-T451 PolarHBondContact O-OG1 2.83Å; I449-T451 PolarHBondContact O-N 2.97Å; T451-I453 VanDerWaalsContact C-N 3.29Å; T451-I453 PolarHBondContact O-N 2.94Å; T451-T455 VanDerWaalsContact O-CB 3.24Å; T451-T455 WeakPolarHBondContact O-CB 3.39Å; T451-T455 PolarHBondContact O-N 2.74Å; T451-T455 PolarHBondContact O-OG1 3.03Å; T451-V488 HydrophobicContact CG2-CG1 3.67Å; T451-F492 HydrophobicContact CG2-CE2 3.95Å
452A92.4Very high88.7Confident0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-72.3-21.3178.500000113.4V448 I449 Y450 P456 L563 L590 W594V448-A452 WeakPolarHBondContact O-CB 3.4Å; V448-A452 PolarHBondContact O-N 3.16Å; I449-A452 PolarHBondContact O-N 3.37Å; Y450-A452 VanDerWaalsContact C-N 3.28Å; Y450-A452 PolarHBondContact O-N 2.96Å; A452-P456 WeakPolarHBondContact O-CD 3.14Å; A452-L563 HydrophobicContact CB-CD1 3.93Å; A452-L563 HydrophobicContact CB-CD2 3.95Å; A452-L563 HydrophobicContact CB-CG 4.24Å; A452-L590 HydrophobicContact CB-CD1 4.44Å; A452-L590 HydrophobicContact CB-CD2 3.84Å; A452-W594 HydrophobicContact CB-CZ2 4.43Å; A452-W594 PolarHBondContact O-NE1 3.41Å
453I92.6Very high87.3Confident64 Ų6434.8 Ų34.833%0.32818%0.184SC..Hα-helixtrans-90.4-49172.4-60.8167.8000110.2I449 Y450 T451 P456 Y457 L590 H593I449-I453 HydrophobicContact CG2-CD1 4.11Å; I449-I453 WeakPolarHBondContact O-CG1 3.48Å; I449-I453 PolarHBondContact O-N 3.34Å; I449-I453 VanDerWaalsContact O-N 3.16Å; Y450-I453 PolarHBondContact O-N 2.8Å; Y450-I453 VanDerWaalsContact O-N 3.15Å; T451-I453 VanDerWaalsContact C-N 3.29Å; T451-I453 PolarHBondContact O-N 2.94Å; I453-P456 WeakPolarHBondContact O-CD 3.39Å; I453-Y457 WeakPolarHBondContact O-CB 2.91Å; I453-Y457 PolarHBondContact O-N 3.22Å; I453-L590 HydrophobicContact CD1-CD2 4.37Å; I453-L590 HydrophobicContact CG1-CD2 3.6Å; I453-H593 PolarHBondContact O-NE2 3.5Å
454L89.1Confident85.4Confident40 Ų4035.4 Ų35.421%0.20919%0.188CC..Hα-helixtrans-75.6-31.7-171.6-88.1-72.9000114Y450 S458Y450-L454 HydrophobicContact CD2-CD2 4.03Å; Y450-L454 HydrophobicContact CD2-CG 4.28Å; Y450-L454 HydrophobicContact CE1-CB 4.33Å; Y450-L454 HydrophobicContact CE1-CG 4.22Å; Y450-L454 HydrophobicContact CE2-CD2 3.88Å; Y450-L454 HydrophobicContact CE2-CG 3.74Å; Y450-L454 PolarHBondContact O-N 3.21Å; L454-S458 WeakPolarHBondContact O-CB 3.42Å; L454-S458 PolarHBondContact O-N 2.79Å; L454-S458 PolarHBondContact O-OG 3.31Å
455T88.3Confident83.3Confident7 Ų739 Ų394%0.04321%0.207CC..Hα-helixtrans-67.1-49.9-179.2-46.50000111.9T451 Y457 S458 A459 K556 R559T451-T455 VanDerWaalsContact O-CB 3.24Å; T451-T455 WeakPolarHBondContact O-CB 3.39Å; T451-T455 PolarHBondContact O-N 2.74Å; T451-T455 PolarHBondContact O-OG1 3.03Å; T455-Y457 VanDerWaalsContact C-N 3.35Å; T455-Y457 PolarHBondContact O-N 3.42Å; T455-S458 PolarHBondContact O-OG 3.32Å; T455-S458 VanDerWaalsContact O-OG 3.09Å; T455-A459 WeakPolarHBondContact O-CB 3.31Å; T455-A459 PolarHBondContact O-N 3.45Å; T455-K556 VanDerWaalsContact CG2-O 3.31Å; T455-K556 WeakPolarHBondContact CG2-O 3.4Å; T455-R559 HydrophobicContact CG2-CB 4.13Å
456P90.6Very high81.1Confident16 Ų1647.3 Ų47.310%0.10425%0.245CC..Hα-helixtrans-67.9-35177.2-20.335.3000112.6A452 I453 A460 L560 C597A452-P456 WeakPolarHBondContact O-CD 3.14Å; I453-P456 WeakPolarHBondContact O-CD 3.39Å; P456-A460 VanDerWaalsContact O-CB 3.32Å; P456-A460 WeakPolarHBondContact O-CB 3.5Å; P456-A460 PolarHBondContact O-N 3.49Å; P456-L560 HydrophobicContact CG-CD1 4.42Å; P456-L560 HydrophobicContact CG-CD2 4.06Å; P456-C597 HydrophobicContact CB-CB 4.19Å
457Y89.9Confident79Confident57 Ų5747.2 Ų47.222%0.22424%0.242CC..Hα-helixtrans-63.4-48.2176.5176.9-97.6000111.7I453 T455 A460 F461 L462 Y640I453-Y457 WeakPolarHBondContact O-CB 2.91Å; I453-Y457 PolarHBondContact O-N 3.22Å; T455-Y457 VanDerWaalsContact C-N 3.35Å; T455-Y457 PolarHBondContact O-N 3.42Å; Y457-A460 PolarHBondContact O-N 3.42Å; Y457-F461 HydrophobicContact CD2-CB 4.39Å; Y457-F461 AromaticContact CD2-CD2 3.64Å; Y457-F461 HydrophobicContact CD2-CD2 3.64Å; Y457-F461 HydrophobicContact CD2-CE2 4.22Å; Y457-F461 HydrophobicContact CD2-CG 4.18Å; Y457-F461 HydrophobicContact CE2-CB 4.11Å; Y457-F461 AromaticContact CE2-CD2 3.92Å; Y457-F461 HydrophobicContact CE2-CD2 3.92Å; Y457-F461 HydrophobicContact CE2-CG 4.01Å; Y457-F461 HydrophobicContact CG-CD2 4.41Å; Y457-F461 WeakPolarHBondContact O-CB 3.44Å; Y457-F461 PolarHBondContact O-N 3.3Å; Y457-L462 HydrophobicContact CD1-CD1 4.41Å; Y457-L462 HydrophobicContact CE1-CD1 4.11Å; Y457-L462 HydrophobicContact CE1-CG 4.23Å; Y457-Y640 HydrophobicContact CD2-CD2 4.01Å; Y457-Y640 HydrophobicContact CD2-CE2 4.11Å; Y457-Y640 HydrophobicContact CE2-CD2 4.08Å; Y457-Y640 HydrophobicContact CE2-CG 4.17Å
458S84.1Confident76.8Confident27 Ų2752.2 Ų52.219%0.18927%0.265CS..Iπ-helixtrans-65.9-40.4177.957.90000112.1L454 T455 L462 L463L454-S458 WeakPolarHBondContact O-CB 3.42Å; L454-S458 PolarHBondContact O-N 2.79Å; L454-S458 PolarHBondContact O-OG 3.31Å; T455-S458 PolarHBondContact O-OG 3.32Å; T455-S458 VanDerWaalsContact O-OG 3.09Å; S458-L462 WeakPolarHBondContact O-CA 3.43Å; S458-L462 WeakPolarHBondContact O-CB 3.42Å; S458-L462 PolarHBondContact O-N 3.48Å; S458-L463 PolarHBondContact O-N 3.33Å
459A82.7Confident74.5Confident29 Ų2957.7 Ų57.724%0.2430%0.298CS..Iπ-helixtrans-63.8-40.1176.500000113.5T455 L463T455-A459 WeakPolarHBondContact O-CB 3.31Å; T455-A459 PolarHBondContact O-N 3.45Å; A459-L463 WeakPolarHBondContact O-CD1 3.47Å
460A84.7Confident72.1Confident13 Ų1360.1 Ų60.111%0.10732%0.322CS..Iπ-helixtrans-86.7-40.4-177.200000113.8P456 Y457 C597 Y600P456-A460 VanDerWaalsContact O-CB 3.32Å; P456-A460 WeakPolarHBondContact O-CB 3.5Å; P456-A460 PolarHBondContact O-N 3.49Å; Y457-A460 PolarHBondContact O-N 3.42Å; A460-C597 HydrophobicContact CB-CB 3.92Å; A460-Y600 HydrophobicContact CB-CD1 4.46Å; A460-Y600 WeakPolarHBondContact O-CD1 3.25Å; A460-Y600 VanDerWaalsContact O-CE1 3.3Å; A460-Y600 WeakPolarHBondContact O-CE1 3.24Å
461F82.5Confident70Confident2 Ų263 Ų631%0.00934%0.336CS..Iπ-helixtrans-103.7-24.7-171.3-66.9-91000114.5Y457 Y600 I636 K639 Y640Y457-F461 HydrophobicContact CD2-CB 4.39Å; Y457-F461 AromaticContact CD2-CD2 3.64Å; Y457-F461 HydrophobicContact CD2-CD2 3.64Å; Y457-F461 HydrophobicContact CD2-CE2 4.22Å; Y457-F461 HydrophobicContact CD2-CG 4.18Å; Y457-F461 HydrophobicContact CE2-CB 4.11Å; Y457-F461 AromaticContact CE2-CD2 3.92Å; Y457-F461 HydrophobicContact CE2-CD2 3.92Å; Y457-F461 HydrophobicContact CE2-CG 4.01Å; Y457-F461 HydrophobicContact CG-CD2 4.41Å; Y457-F461 WeakPolarHBondContact O-CB 3.44Å; Y457-F461 PolarHBondContact O-N 3.3Å; F461-Y600 AromaticContact CD1-CD1 3.54Å; F461-Y600 HydrophobicContact CD1-CD1 3.54Å; F461-Y600 HydrophobicContact CD1-CD2 4.31Å; F461-Y600 AromaticContact CD1-CE1 3.55Å; F461-Y600 HydrophobicContact CD1-CE1 3.55Å; F461-Y600 HydrophobicContact CD1-CE2 4.32Å; F461-Y600 AromaticContact CD1-CG 3.94Å; F461-Y600 HydrophobicContact CD1-CG 3.94Å; F461-Y600 AromaticContact CD1-CZ 3.95Å; F461-Y600 HydrophobicContact CD2-CD1 4.27Å; F461-Y600 AromaticContact CE1-CD1 3.42Å; F461-Y600 HydrophobicContact CE1-CD1 3.42Å; F461-Y600 VanDerWaalsContact CE1-CD1 3.42Å; F461-Y600 AromaticContact CE1-CD2 3.62Å; F461-Y600 HydrophobicContact CE1-CD2 3.62Å; F461-Y600 AromaticContact CE1-CE1 3.82Å; F461-Y600 HydrophobicContact CE1-CE1 3.82Å; F461-Y600 HydrophobicContact CE1-CE2 4.01Å; F461-Y600 AromaticContact CE1-CG 3.3Å; F461-Y600 HydrophobicContact CE1-CG 3.3Å; F461-Y600 HydrophobicContact CE2-CD1 4.15Å; F461-Y600 HydrophobicContact CE2-CG 4.29Å; F461-Y600 AromaticContact CG-CD1 3.98Å; F461-Y600 HydrophobicContact CG-CD1 3.98Å; F461-Y600 HydrophobicContact CG-CE1 4.1Å; F461-Y600 VanDerWaalsContact CZ-CB 3.49Å; F461-Y600 AromaticContact CZ-CD1 3.74Å; F461-Y600 HydrophobicContact CZ-CD1 3.74Å; F461-Y600 HydrophobicContact CZ-CD2 4.17Å; F461-Y600 AromaticContact CZ-CG 3.5Å; F461-Y600 HydrophobicContact CZ-CG 3.5Å; F461-I636 HydrophobicContact CB-CG2 4.28Å; F461-I636 HydrophobicContact CD1-CG2 4.12Å; F461-K639 HydrophobicContact CE1-CB 4.23Å; F461-Y640 AromaticContact CE2-CD2 3.79Å; F461-Y640 HydrophobicContact CE2-CD2 3.79Å; F461-Y640 AromaticContact CZ-CD2 3.8Å; F461-Y640 HydrophobicContact CZ-CD2 3.8Å; F461-Y640 HydrophobicContact CZ-CG 4.4Å
462L72.6Confident68Low77 Ų7769.6 Ų69.640%0.40337%0.366SS..Iπ-helixtrans-108-6.9-173.5-57.5178.9000114.6Y457 S458Y457-L462 HydrophobicContact CD1-CD1 4.41Å; Y457-L462 HydrophobicContact CE1-CD1 4.11Å; Y457-L462 HydrophobicContact CE1-CG 4.23Å; S458-L462 WeakPolarHBondContact O-CA 3.43Å; S458-L462 WeakPolarHBondContact O-CB 3.42Å; S458-L462 PolarHBondContact O-N 3.48Å
463L61.3Low65.7Low80 Ų8077.5 Ų77.542%0.41941%0.409SS..SBendtrans-84-16.7172.3-67.4-176.4000113.7S458 A459S458-L463 PolarHBondContact O-N 3.33Å; A459-L463 WeakPolarHBondContact O-CD1 3.47Å
464N51.9Low63.7Low87 Ų8778 Ų7847%0.46542%0.417SS..SBendtrans-97.2-5.3-173.8-72.56.4000114.2H466 S604N464-H466 PolarHBondContact O-N 2.97Å; N464-S604 PolarHBondContact ND2-OG 3.46Å
465D47.1Very low62Low78 Ų7878.4 Ų78.442%0.41743%0.43SS..  trans-86.1104.3174.4-73.4-32000109.7E467 I636D465-E467 PolarHBondContact O-N 3.27Å; D465-I636 VanDerWaalsContact OD2-CD1 3.31Å; D465-I636 WeakPolarHBondContact OD2-CD1 3.41Å
466H44Very low60.3Low182 Ų18282.6 Ų82.684%0.84345%0.446SS*.  trans-64.724.6175.4-107.4-77.3000114.4N464 E468N464-H466 PolarHBondContact O-N 2.97Å; H466-E468 PolarHBondContact O-N 3.46Å
467E45.1Very low58.4Low115 Ų11586.8 Ų86.854%0.53748%0.476SS..THydrogen-bonded Turntrans-8315.5-175.9-150.6-167.7-130.100113D465 V469 A470 K471D465-E467 PolarHBondContact O-N 3.27Å; E467-V469 PolarHBondContact O-N 3.38Å; E467-A470 HydrophobicContact CG-CB 4.32Å; E467-A470 PolarHBondContact O-N 2.99Å; E467-K471 IonicContact OE2-NZ 3.16Å; E467-K471 PolarHBondContact OE2-NZ 3.31Å
468E45.9Very low56.8Low130 Ų13087.8 Ų87.861%0.60749%0.49SS*.Hα-helixtrans-60.4-34.5178.6-62.4-158.2128.200112.1H466 A470 K471 Q472H466-E468 PolarHBondContact O-N 3.46Å; E468-A470 PolarHBondContact O-N 3.46Å; E468-K471 PolarHBondContact O-N 2.89Å; E468-Q472 WeakPolarHBondContact O-CG 3.48Å; E468-Q472 PolarHBondContact O-N 3.49Å
469V44.3Very low56Low116 Ų11688.1 Ų88.170%0.70349%0.493SS*.Hα-helixtrans-59.5-31.5-179.5-169.60000112.5E467E467-V469 PolarHBondContact O-N 3.38Å
470A41.9Very low55.8Low80 Ų8091.6 Ų91.666%0.66151%0.512SS*.Hα-helixtrans-82.5-17.1176.900000113.5E467 E468E467-A470 HydrophobicContact CG-CB 4.32Å; E467-A470 PolarHBondContact O-N 2.99Å; E468-A470 PolarHBondContact O-N 3.46Å
471K46.9Very low55.4Low118 Ų11895.4 Ų95.451%0.51353%0.531SS..Hα-helixtrans-96.2-16.5-176.9-77-177.3-179.983.70114.2E467 E468 N473 C474E467-K471 IonicContact OE2-NZ 3.16Å; E467-K471 PolarHBondContact OE2-NZ 3.31Å; E468-K471 PolarHBondContact O-N 2.89Å; K471-N473 PolarHBondContact O-N 3.28Å; K471-C474 PolarHBondContact O-N 3.22Å
472Q49.2Very low55.2Low143 Ų14399.4 Ų99.467%0.66855%0.552SS**THydrogen-bonded Turntrans-55.9-27.5-172.8-80.6168.2-15.400115.6E468 C474E468-Q472 WeakPolarHBondContact O-CG 3.48Å; E468-Q472 PolarHBondContact O-N 3.49Å; Q472-C474 VanDerWaalsContact C-N 3.3Å; Q472-C474 PolarHBondContact O-N 3.13Å
473N45.8Very low55.7Low167 Ų16798.5 Ų98.589%0.89355%0.55SS*.THydrogen-bonded Turntrans-82-1.1178.4-74.4-13.4000114.7K471K471-N473 PolarHBondContact O-N 3.28Å
474C49.9Very low56.9Low75 Ų7597.6 Ų97.651%0.50755%0.548SS..SBendtrans-128106.5-166.7-80.10000111.3K471 Q472 C478K471-C474 PolarHBondContact O-N 3.22Å; Q472-C474 VanDerWaalsContact C-N 3.3Å; Q472-C474 PolarHBondContact O-N 3.13Å; C474-C478 HydrophobicContact CB-CB 3.64Å
475G52.4Low58.5Low47 Ų4794.9 Ų94.949%0.48553%0.533SS..  trans-65.1179-177.300000115S477 C478G475-S477 PolarHBondContact O-N 3.24Å; G475-C478 WeakPolarHBondContact O-CB 3.32Å; G475-C478 PolarHBondContact O-N 3.15Å
476Y52.7Low60.3Low96 Ų9695.2 Ų95.238%0.37653%0.534SS..G310 helixtrans-45.2-27.9-174.3-79.3-85.4000116.6C478 D538 Y542Y476-C478 VanDerWaalsContact C-N 3.32Å; Y476-C478 PolarHBondContact O-N 3.43Å; Y476-D538 PolarHBondContact OH-O 3.42Å; Y476-Y542 HydrophobicContact CE2-CD1 4.04Å; Y476-Y542 HydrophobicContact CE2-CD2 4.17Å; Y476-Y542 HydrophobicContact CE2-CE1 4.4Å; Y476-Y542 AromaticContact CE2-CG 3.92Å; Y476-Y542 HydrophobicContact CE2-CG 3.92Å; Y476-Y542 WeakPolarHBondContact OH-CB 3.19Å
477S51.8Low62.5Low103 Ų10391.2 Ų91.272%0.7252%0.518SS*.G310 helixtrans-73.5-12.9178.539.10000115.1G475G475-S477 PolarHBondContact O-N 3.24Å
478C55.4Low64.7Low79 Ų7986.1 Ų86.153%0.53450%0.495SS..G310 helixtrans-88-4.2-170.4-66.60000115.5C474 G475 Y476C474-C478 HydrophobicContact CB-CB 3.64Å; G475-C478 WeakPolarHBondContact O-CB 3.32Å; G475-C478 PolarHBondContact O-N 3.15Å; Y476-C478 VanDerWaalsContact C-N 3.32Å; Y476-C478 PolarHBondContact O-N 3.43Å
479S67.3Low66.8Low34 Ų3480 Ų8024%0.23847%0.466CS..  trans-124.4120.4170.257.50000110.6L481 N482 V483S479-L481 PolarHBondContact O-N 3.43Å; S479-N482 PolarHBondContact O-N 3.36Å; S479-N482 WeakPolarHBondContact OG-CB 3.25Å; S479-N482 PolarHBondContact OG-ND2 2.85Å; S479-N482 PolarHBondContact OG-OD1 3.09Å; S479-V483 PolarHBondContact O-N 3.49Å
480P78.4Confident69.1Low101 Ų10178.4 Ų78.466%0.65645%0.453SS*.Hα-helixtrans-66.4-27-173.825.2-33.8000112.8V483 V484P480-V483 PolarHBondContact O-N 3.34Å; P480-V484 WeakPolarHBondContact O-CG2 3.44Å; P480-V484 PolarHBondContact O-N 3.1Å
481L77.3Confident71.5Confident93 Ų9376.5 Ų76.549%0.48743%0.431SS..Hα-helixtrans-63.7-45.8176.8-65.3174.4000112S479 V483 V484 D485S479-L481 PolarHBondContact O-N 3.43Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 PolarHBondContact O-N 3.43Å; L481-V484 PolarHBondContact O-N 3.36Å; L481-V484 VanDerWaalsContact O-N 3.14Å; L481-D485 PolarHBondContact O-N 3.47Å
482N77.3Confident73.7Confident86 Ų8670.9 Ų70.946%0.4641%0.406SS..Hα-helixtrans-65-33.7179.9-64.622000111.7S479 L486S479-N482 PolarHBondContact O-N 3.36Å; S479-N482 WeakPolarHBondContact OG-CB 3.25Å; S479-N482 PolarHBondContact OG-ND2 2.85Å; S479-N482 PolarHBondContact OG-OD1 3.09Å; N482-L486 WeakPolarHBondContact O-CB 3.47Å; N482-L486 PolarHBondContact O-N 2.91Å
483V83.8Confident75.7Confident58 Ų5867.5 Ų67.535%0.35239%0.392SS..Hα-helixtrans-67.4-41.5174.3179.40000111.1S479 P480 L481 L486 I487S479-V483 PolarHBondContact O-N 3.49Å; P480-V483 PolarHBondContact O-N 3.34Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 PolarHBondContact O-N 3.43Å; V483-L486 PolarHBondContact O-N 3.49Å; V483-I487 HydrophobicContact CG1-CD1 4.1Å; V483-I487 WeakPolarHBondContact O-CD1 3.23Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.46Å; V483-I487 PolarHBondContact O-N 2.87Å; V483-I487 VanDerWaalsContact O-N 3.09Å
484V86.9Confident78Confident62 Ų6262.5 Ų62.538%0.37637%0.365SS..Hα-helixtrans-64.1-46.5174.6173.20000111Y450 P480 L481 L486 I487 V488Y450-V484 HydrophobicContact CE1-CG1 4.39Å; Y450-V484 HydrophobicContact CE2-CG1 4.24Å; Y450-V484 WeakPolarHBondContact OH-CG1 3.33Å; P480-V484 WeakPolarHBondContact O-CG2 3.44Å; P480-V484 PolarHBondContact O-N 3.1Å; L481-V484 PolarHBondContact O-N 3.36Å; L481-V484 VanDerWaalsContact O-N 3.14Å; V484-L486 VanDerWaalsContact C-N 3.3Å; V484-L486 PolarHBondContact O-N 2.99Å; V484-I487 WeakPolarHBondContact O-CB 3.29Å; V484-I487 PolarHBondContact O-N 3.38Å; V484-I487 VanDerWaalsContact O-N 3.1Å; V484-V488 HydrophobicContact CG1-CG2 4.21Å; V484-V488 VanDerWaalsContact O-CG2 3.27Å; V484-V488 WeakPolarHBondContact O-CG2 3.45Å; V484-V488 PolarHBondContact O-N 3.24Å
485D84.9Confident80.1Confident29 Ų2959 Ų5916%0.15534%0.341CS..Hα-helixtrans-62.7-36.1179.7-794.9000112.3Y450 L481 V488 D489Y450-D485 VanDerWaalsContact CE1-OD1 3.24Å; Y450-D485 WeakPolarHBondContact CE1-OD1 3.41Å; Y450-D485 PolarHBondContact OH-OD1 3.24Å; L481-D485 PolarHBondContact O-N 3.47Å; D485-V488 PolarHBondContact O-N 3.15Å; D485-D489 PolarHBondContact O-N 2.88Å
486L85.3Confident82Confident86 Ų8657.6 Ų57.645%0.4532%0.322SS..Hα-helixtrans-63.7-43.3171.5178.861.4000112.4N482 V483 V484 V488 D489 I490N482-L486 WeakPolarHBondContact O-CB 3.47Å; N482-L486 PolarHBondContact O-N 2.91Å; V483-L486 PolarHBondContact O-N 3.49Å; V484-L486 VanDerWaalsContact C-N 3.3Å; V484-L486 PolarHBondContact O-N 2.99Å; L486-V488 VanDerWaalsContact C-N 3.32Å; L486-V488 PolarHBondContact O-N 2.97Å; L486-D489 PolarHBondContact O-N 2.88Å; L486-I490 HydrophobicContact CD1-CD1 4.26Å; L486-I490 HydrophobicContact CG-CD1 4.1Å; L486-I490 VanDerWaalsContact O-CG1 3.29Å; L486-I490 WeakPolarHBondContact O-CG1 3.48Å; L486-I490 PolarHBondContact O-N 3.22Å
487I90Very high83.9Confident98 Ų9858.3 Ų58.350%0.50333%0.332SS..Hα-helixtrans-62.8-41.2175.6-68.9163.5000110.6V483 V484 I490 M491V483-I487 HydrophobicContact CG1-CD1 4.1Å; V483-I487 WeakPolarHBondContact O-CD1 3.23Å; V483-I487 VanDerWaalsContact O-CG1 3.29Å; V483-I487 WeakPolarHBondContact O-CG1 3.46Å; V483-I487 PolarHBondContact O-N 2.87Å; V483-I487 VanDerWaalsContact O-N 3.09Å; V484-I487 WeakPolarHBondContact O-CB 3.29Å; V484-I487 PolarHBondContact O-N 3.38Å; V484-I487 VanDerWaalsContact O-N 3.1Å; I487-I490 PolarHBondContact O-N 3.42Å; I487-M491 WeakPolarHBondContact O-CG 3.35Å; I487-M491 PolarHBondContact O-N 3.5Å
488V91.6Very high85.8Confident7 Ų754.6 Ų54.64%0.04230%0.304CS..Hα-helixtrans-62.7-45.1176.7170.90000110.8L447 Y450 T451 V484 D485 L486 M491 F492L447-V488 HydrophobicContact CD2-CB 4.48Å; L447-V488 HydrophobicContact CD2-CG1 4.32Å; L447-V488 HydrophobicContact CD2-CG2 3.86Å; Y450-V488 HydrophobicContact CD1-CG1 4.3Å; Y450-V488 HydrophobicContact CD1-CG2 3.97Å; Y450-V488 HydrophobicContact CE1-CG1 4.49Å; Y450-V488 HydrophobicContact CE1-CG2 3.82Å; T451-V488 HydrophobicContact CG2-CG1 3.67Å; V484-V488 HydrophobicContact CG1-CG2 4.21Å; V484-V488 VanDerWaalsContact O-CG2 3.27Å; V484-V488 WeakPolarHBondContact O-CG2 3.45Å; V484-V488 PolarHBondContact O-N 3.24Å; D485-V488 PolarHBondContact O-N 3.15Å; L486-V488 VanDerWaalsContact C-N 3.32Å; L486-V488 PolarHBondContact O-N 2.97Å; V488-M491 WeakPolarHBondContact O-CB 3.33Å; V488-M491 PolarHBondContact O-N 3.21Å; V488-F492 HydrophobicContact CG1-CD2 3.98Å; V488-F492 HydrophobicContact CG1-CE2 3.62Å; V488-F492 WeakPolarHBondContact O-CD2 3.43Å; V488-F492 PolarHBondContact O-N 3.22Å; V488-F492 VanDerWaalsContact O-N 3.13Å
489D90.2Very high87.4Confident3 Ų351.9 Ų51.92%0.01628%0.284CS..Hα-helixtrans-62.4-42.3176.2-78.96.3000112.1D485 L486 M491 F492 I493 P536 R559 R562D485-D489 PolarHBondContact O-N 2.88Å; L486-D489 PolarHBondContact O-N 2.88Å; D489-M491 VanDerWaalsContact C-N 3.32Å; D489-M491 PolarHBondContact O-N 3.11Å; D489-F492 PolarHBondContact O-N 3Å; D489-F492 VanDerWaalsContact O-N 3.15Å; D489-I493 WeakPolarHBondContact O-CG1 3.48Å; D489-I493 PolarHBondContact O-N 3.43Å; D489-I493 VanDerWaalsContact O-N 3.11Å; D489-P536 HydrophobicContact CB-CB 4.46Å; D489-P536 WeakPolarHBondContact OD2-CA 3.34Å; D489-P536 WeakPolarHBondContact OD2-CB 3.25Å; D489-R559 IonicContact OD1-CZ 2.81Å; D489-R559 IonicContact OD1-NE 3.69Å; D489-R559 PolarHBondContact OD1-NE 3.07Å; D489-R559 IonicContact OD1-NH2 3.43Å; D489-R559 IonicContact OD2-CZ 2.75Å; D489-R559 IonicContact OD2-NE 2.67Å; D489-R559 PolarHBondContact OD2-NE 3.37Å; D489-R559 IonicContact OD2-NH2 2.99Å; D489-R559 PolarHBondContact OD2-NH2 2.99Å; D489-R562 IonicContact OD1-CZ 2.95Å; D489-R562 IonicContact OD1-NH1 2.67Å; D489-R562 PolarHBondContact OD1-NH1 3.04Å; D489-R562 IonicContact OD1-NH2 3.98Å; D489-R562 PolarHBondContact OD1-NH2 3.49Å; D489-R562 IonicContact OD2-NH2 3.69Å
490I91.6Very high88.6Confident81 Ų8152.1 Ų52.142%0.41528%0.281SS..Hα-helixtrans-59.3-41.9173.5-69.6164.3000111.2L486 I487 F492 I493 I494L486-I490 HydrophobicContact CD1-CD1 4.26Å; L486-I490 HydrophobicContact CG-CD1 4.1Å; L486-I490 VanDerWaalsContact O-CG1 3.29Å; L486-I490 WeakPolarHBondContact O-CG1 3.48Å; L486-I490 PolarHBondContact O-N 3.22Å; I487-I490 PolarHBondContact O-N 3.42Å; I490-F492 VanDerWaalsContact C-N 3.31Å; I490-F492 PolarHBondContact O-N 3.36Å; I490-I493 WeakPolarHBondContact O-CB 3.27Å; I490-I493 PolarHBondContact O-N 2.92Å; I490-I494 HydrophobicContact CG2-CD1 3.98Å; I490-I494 WeakPolarHBondContact O-CG1 3.35Å; I490-I494 PolarHBondContact O-N 3.41Å
491M92.6Very high89.2Confident40 Ų4052.2 Ų52.220%0.19727%0.268CS..Hα-helixtrans-63.2-34.3176.5-72.6-68.1-69.300112.8W440 L443 L447 I487 V488 D489 I494 D495W440-M491 HydrophobicContact CH2-CE 3.39Å; W440-M491 HydrophobicContact CH2-SD 4.12Å; W440-M491 HydrophobicContact CZ2-CE 4.07Å; W440-M491 HydrophobicContact CZ3-CE 3.83Å; L443-M491 HydrophobicContact CD2-CE 3.63Å; L443-M491 HydrophobicContact CG-CE 4.36Å; L447-M491 HydrophobicContact CD1-CB 3.92Å; L447-M491 HydrophobicContact CD1-CE 4.14Å; L447-M491 HydrophobicContact CD1-CG 4.38Å; I487-M491 WeakPolarHBondContact O-CG 3.35Å; I487-M491 PolarHBondContact O-N 3.5Å; V488-M491 WeakPolarHBondContact O-CB 3.33Å; V488-M491 PolarHBondContact O-N 3.21Å; D489-M491 VanDerWaalsContact C-N 3.32Å; D489-M491 PolarHBondContact O-N 3.11Å; M491-I494 PolarHBondContact O-N 3.13Å; M491-I494 HydrophobicContact SD-CD1 4.32Å; M491-D495 PolarHBondContact O-N 2.74Å
492F92.8Very high89.8Confident0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-71.2-31.4173.9-77.7-68.2000113.4I444 L447 V448 T451 V488 D489 I490 D495 I496 A534 R562I444-F492 HydrophobicContact CG2-CE1 4.16Å; L447-F492 HydrophobicContact CB-CE2 4.2Å; L447-F492 HydrophobicContact CB-CZ 3.96Å; V448-F492 HydrophobicContact CG2-CE1 3.72Å; V448-F492 HydrophobicContact CG2-CZ 3.71Å; T451-F492 HydrophobicContact CG2-CE2 3.95Å; V488-F492 HydrophobicContact CG1-CD2 3.98Å; V488-F492 HydrophobicContact CG1-CE2 3.62Å; V488-F492 WeakPolarHBondContact O-CD2 3.43Å; V488-F492 PolarHBondContact O-N 3.22Å; V488-F492 VanDerWaalsContact O-N 3.13Å; D489-F492 PolarHBondContact O-N 3Å; D489-F492 VanDerWaalsContact O-N 3.15Å; I490-F492 VanDerWaalsContact C-N 3.31Å; I490-F492 PolarHBondContact O-N 3.36Å; F492-D495 PolarHBondContact O-N 2.89Å; F492-I496 WeakPolarHBondContact O-CG1 3.08Å; F492-I496 PolarHBondContact O-N 3.42Å; F492-A534 HydrophobicContact CB-CB 4.44Å; F492-R562 HydrophobicContact CE1-CB 4.46Å; F492-R562 HydrophobicContact CE1-CG 4.3Å; F492-R562 HydrophobicContact CZ-CB 4.42Å; F492-R562 HydrophobicContact CZ-CG 4.29Å
493I92.3Very high90.4Very high73 Ų7344.9 Ų44.937%0.37423%0.23SC..Hα-helixtrans-66.8-42.6170.9-64.6166.7000110.1D489 I490 D495 I496 L497 A534D489-I493 WeakPolarHBondContact O-CG1 3.48Å; D489-I493 PolarHBondContact O-N 3.43Å; D489-I493 VanDerWaalsContact O-N 3.11Å; I490-I493 WeakPolarHBondContact O-CB 3.27Å; I490-I493 PolarHBondContact O-N 2.92Å; I493-D495 VanDerWaalsContact C-N 3.34Å; I493-D495 PolarHBondContact O-N 2.83Å; I493-I496 WeakPolarHBondContact O-CB 3.42Å; I493-I496 PolarHBondContact O-N 3.22Å; I493-L497 PolarHBondContact O-N 3.15Å; I493-A534 HydrophobicContact CG1-CB 4.25Å
494I93.2Very high90.6Very high62 Ų6244.2 Ų44.232%0.31822%0.222SC..Hα-helixtrans-62.9-39.3175.2-65166.6000111.2W440 I490 M491 I496 L497 I498W440-I494 HydrophobicContact CH2-CB 4.4Å; W440-I494 HydrophobicContact CH2-CG2 3.65Å; W440-I494 HydrophobicContact CZ2-CB 4.36Å; W440-I494 HydrophobicContact CZ2-CG2 3.79Å; I490-I494 HydrophobicContact CG2-CD1 3.98Å; I490-I494 WeakPolarHBondContact O-CG1 3.35Å; I490-I494 PolarHBondContact O-N 3.41Å; M491-I494 PolarHBondContact O-N 3.13Å; M491-I494 HydrophobicContact SD-CD1 4.32Å; I494-I496 VanDerWaalsContact C-N 3.32Å; I494-I496 PolarHBondContact O-N 2.69Å; I494-L497 PolarHBondContact O-N 2.99Å; I494-I498 HydrophobicContact CG2-CD1 3.85Å; I494-I498 HydrophobicContact CG2-CG1 4.41Å; I494-I498 WeakPolarHBondContact O-CG1 3.16Å; I494-I498 PolarHBondContact O-N 3.04Å
495D93.5Very high90.6Very high1 Ų143.4 Ų43.41%0.00522%0.216CC..Hα-helixtrans-60-39.5174.4-170.862000112.4W440 I444 M491 F492 I493 I498 N499 R565W440-D495 PolarHBondContact NE1-OD1 2.66Å; I444-D495 HydrophobicContact CD1-CB 3.73Å; I444-D495 HydrophobicContact CG1-CB 4.34Å; M491-D495 PolarHBondContact O-N 2.74Å; F492-D495 PolarHBondContact O-N 2.89Å; I493-D495 VanDerWaalsContact C-N 3.34Å; I493-D495 PolarHBondContact O-N 2.83Å; D495-I498 PolarHBondContact O-N 2.72Å; D495-N499 WeakPolarHBondContact O-CB 3.49Å; D495-N499 PolarHBondContact O-N 2.69Å; D495-N499 PolarHBondContact O-ND2 2.73Å; D495-N499 PolarHBondContact OD2-ND2 3.01Å; D495-R565 IonicContact OD2-CZ 3.42Å; D495-R565 IonicContact OD2-NH1 3.13Å; D495-R565 PolarHBondContact OD2-NH1 2.75Å
496I92.6Very high90.5Very high18 Ų1844.5 Ų44.59%0.09222%0.222CC..Hα-helixtrans-61.4-46174.8-66.5167000110.6F492 I493 I494 I498 N499 F500 Y522 F527 D530 A534F492-I496 WeakPolarHBondContact O-CG1 3.08Å; F492-I496 PolarHBondContact O-N 3.42Å; I493-I496 WeakPolarHBondContact O-CB 3.42Å; I493-I496 PolarHBondContact O-N 3.22Å; I494-I496 VanDerWaalsContact C-N 3.32Å; I494-I496 PolarHBondContact O-N 2.69Å; I496-I498 VanDerWaalsContact C-N 3.33Å; I496-I498 PolarHBondContact O-N 3.4Å; I496-N499 PolarHBondContact O-N 2.84Å; I496-F500 HydrophobicContact CG2-CD2 3.95Å; I496-F500 HydrophobicContact CG2-CE2 3.76Å; I496-F500 VanDerWaalsContact O-CD2 3.28Å; I496-F500 WeakPolarHBondContact O-CD2 3.38Å; I496-F500 PolarHBondContact O-N 2.78Å; I496-Y522 HydrophobicContact CG2-CE1 4.29Å; I496-F527 HydrophobicContact CG2-CD2 4.49Å; I496-F527 HydrophobicContact CG2-CE2 4.3Å; I496-D530 WeakPolarHBondContact CD1-O 3.44Å; I496-D530 HydrophobicContact CG1-CB 4.3Å; I496-A534 HydrophobicContact CD1-CB 3.62Å
497L92.3Very high90.3Very high111 Ų11145.5 Ų45.558%0.58124%0.237SC*.Hα-helixtrans-63.1-37.4177.7-64.3175.5000112.5I493 I494I493-L497 PolarHBondContact O-N 3.15Å; I494-L497 PolarHBondContact O-N 2.99Å
498I91.8Very high89.7Confident25 Ų2545.6 Ų45.613%0.12824%0.238CC..Hα-helixtrans-67.1-44.6173.7-71.1168.5000110.5K437 W440 I494 D495 I496 F500 R501 T502K437-I498 HydrophobicContact CD-CG2 4.25Å; W440-I498 HydrophobicContact CD2-CD1 3.85Å; W440-I498 VanDerWaalsContact CE2-CD1 3.47Å; W440-I498 HydrophobicContact CE3-CD1 4.25Å; W440-I498 HydrophobicContact CG-CD1 4.47Å; W440-I498 HydrophobicContact CH2-CD1 3.99Å; W440-I498 HydrophobicContact CZ2-CD1 3.57Å; W440-I498 HydrophobicContact CZ3-CD1 4.3Å; I494-I498 HydrophobicContact CG2-CD1 3.85Å; I494-I498 HydrophobicContact CG2-CG1 4.41Å; I494-I498 WeakPolarHBondContact O-CG1 3.16Å; I494-I498 PolarHBondContact O-N 3.04Å; D495-I498 PolarHBondContact O-N 2.72Å; I496-I498 VanDerWaalsContact C-N 3.33Å; I496-I498 PolarHBondContact O-N 3.4Å; I498-F500 VanDerWaalsContact C-N 3.29Å; I498-F500 PolarHBondContact O-N 3.42Å; I498-R501 CarbonylContact O-C 3.18Å; I498-R501 WeakPolarHBondContact O-CA 3.48Å; I498-R501 PolarHBondContact O-N 2.69Å; I498-T502 HydrophobicContact CG2-CG2 3.89Å; I498-T502 VanDerWaalsContact O-CG2 3.31Å; I498-T502 WeakPolarHBondContact O-CG2 3.46Å; I498-T502 PolarHBondContact O-N 2.99Å
499N90.6Very high88.9Confident21 Ų2147.9 Ų47.911%0.11225%0.25CS..Hα-helixtrans-62.3-34.5179.8-68.5-35.6000112.2D495 I496 R501 T502 Y522D495-N499 WeakPolarHBondContact O-CB 3.49Å; D495-N499 PolarHBondContact O-N 2.69Å; D495-N499 PolarHBondContact O-ND2 2.73Å; D495-N499 PolarHBondContact OD2-ND2 3.01Å; I496-N499 PolarHBondContact O-N 2.84Å; N499-R501 PolarHBondContact O-N 2.91Å; N499-T502 WeakPolarHBondContact CA-OG1 3.22Å; N499-T502 PolarHBondContact O-N 2.67Å; N499-T502 PolarHBondContact O-OG1 2.81Å; N499-Y522 HydrophobicContact CB-CE1 4.19Å
500F91.6Very high88.3Confident39 Ų3951 Ų5117%0.17127%0.265CS..THydrogen-bonded Turntrans-62.9-17.5169.7-87-67.1000114.7I496 I498 I518 A519 Y522 F523 F527I496-F500 HydrophobicContact CG2-CD2 3.95Å; I496-F500 HydrophobicContact CG2-CE2 3.76Å; I496-F500 VanDerWaalsContact O-CD2 3.28Å; I496-F500 WeakPolarHBondContact O-CD2 3.38Å; I496-F500 PolarHBondContact O-N 2.78Å; I498-F500 VanDerWaalsContact C-N 3.29Å; I498-F500 PolarHBondContact O-N 3.42Å; F500-I518 WeakPolarHBondContact O-CG2 3.24Å; F500-A519 HydrophobicContact CD1-CB 3.96Å; F500-A519 HydrophobicContact CE1-CB 4.13Å; F500-Y522 AromaticContact CD1-CD1 3.85Å; F500-Y522 HydrophobicContact CD1-CD1 3.85Å; F500-Y522 HydrophobicContact CD2-CD1 4.11Å; F500-Y522 HydrophobicContact CD2-CE1 4.04Å; F500-Y522 AromaticContact CE1-CD1 3.69Å; F500-Y522 HydrophobicContact CE1-CD1 3.69Å; F500-Y522 HydrophobicContact CE1-CE1 4.44Å; F500-Y522 AromaticContact CE2-CD1 3.95Å; F500-Y522 HydrophobicContact CE2-CD1 3.95Å; F500-Y522 AromaticContact CE2-CE1 3.87Å; F500-Y522 HydrophobicContact CE2-CE1 3.87Å; F500-Y522 HydrophobicContact CG-CD1 4.05Å; F500-Y522 HydrophobicContact CG-CE1 4.39Å; F500-Y522 AromaticContact CZ-CD1 3.74Å; F500-Y522 HydrophobicContact CZ-CD1 3.74Å; F500-Y522 HydrophobicContact CZ-CE1 4.08Å; F500-F523 AromaticContact CE1-CD2 3.93Å; F500-F523 HydrophobicContact CE1-CD2 3.93Å; F500-F523 HydrophobicContact CE1-CE1 4.46Å; F500-F523 AromaticContact CE1-CE2 3.53Å; F500-F523 HydrophobicContact CE1-CE2 3.53Å; F500-F523 AromaticContact CE1-CZ 3.83Å; F500-F523 HydrophobicContact CE1-CZ 3.83Å; F500-F523 HydrophobicContact CZ-CD2 4.39Å; F500-F523 AromaticContact CZ-CE1 3.99Å; F500-F523 HydrophobicContact CZ-CE1 3.99Å; F500-F523 AromaticContact CZ-CE2 3.83Å; F500-F523 HydrophobicContact CZ-CE2 3.83Å; F500-F523 AromaticContact CZ-CZ 3.6Å; F500-F523 HydrophobicContact CZ-CZ 3.6Å; F500-F527 AromaticContact CE2-CD2 3.73Å; F500-F527 HydrophobicContact CE2-CD2 3.73Å; F500-F527 AromaticContact CE2-CE2 3.72Å; F500-F527 HydrophobicContact CE2-CE2 3.72Å; F500-F527 AromaticContact CZ-CD2 3.53Å; F500-F527 HydrophobicContact CZ-CD2 3.53Å; F500-F527 AromaticContact CZ-CE2 3.73Å; F500-F527 HydrophobicContact CZ-CE2 3.73Å; F500-F527 HydrophobicContact CZ-CG 4.34Å
501R90.6Very high87.9Confident104 Ų10448.8 Ų48.839%0.39226%0.255SS..THydrogen-bonded Turntrans-111.1-4.1178.6-62.5-54.6-170.2104.4-0.8113.8W428 T429 V430 I498 N499W428-R501 PolarHBondContact O-NH1 2.75Å; T429-R501 WeakPolarHBondContact CA-O 3.42Å; V430-R501 PolarHBondContact N-O 3.48Å; I498-R501 CarbonylContact O-C 3.18Å; I498-R501 WeakPolarHBondContact O-CA 3.48Å; I498-R501 PolarHBondContact O-N 2.69Å; N499-R501 PolarHBondContact O-N 2.91Å
502T91Very high87.5Confident20 Ų2047.7 Ų47.712%0.12325%0.25CS..BIsolated β-bridgetrans-82.2133.9178.552.20000112.1V430 K437 I498 N499 I518V430-T502 HydrophobicContact CB-CG2 3.95Å; V430-T502 HydrophobicContact CG1-CG2 4.09Å; V430-T502 CarbonylContact O-C 3.53Å; V430-T502 VanDerWaalsContact O-CA 3.23Å; V430-T502 WeakPolarHBondContact O-CA 3.4Å; K437-T502 HydrophobicContact CD-CG2 3.94Å; K437-T502 HydrophobicContact CG-CG2 4.46Å; I498-T502 HydrophobicContact CG2-CG2 3.89Å; I498-T502 VanDerWaalsContact O-CG2 3.31Å; I498-T502 WeakPolarHBondContact O-CG2 3.46Å; I498-T502 PolarHBondContact O-N 2.99Å; N499-T502 WeakPolarHBondContact CA-OG1 3.22Å; N499-T502 PolarHBondContact O-N 2.67Å; N499-T502 PolarHBondContact O-OG1 2.81Å; T502-I518 VanDerWaalsContact O-CG2 3.28Å; T502-I518 WeakPolarHBondContact O-CG2 3.41Å
503T90.4Very high87.1Confident4 Ų449.8 Ų49.83%0.02527%0.265CS..  trans-65.6150.4172.966.80000111.3V430 L431 H432 V512V430-T503 PolarHBondContact O-N 3.43Å; L431-T503 HydrophobicContact CD1-CG2 3.9Å; H432-T503 WeakPolarHBondContact CB-O 3.4Å; H432-T503 PolarHBondContact N-OG1 3.29Å; H432-T503 PolarHBondContact ND1-O 3.12Å; H432-T503 PolarHBondContact ND1-OG1 3.01Å; T503-V512 WeakPolarHBondContact CA-O 3.21Å; T503-V512 VanDerWaalsContact CB-O 3.31Å; T503-V512 WeakPolarHBondContact CB-O 3.39Å
504Y87.9Confident86.7Confident45 Ų4551.8 Ų51.818%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-123.2161172.473.4-84.1000110.6N506 V512 I518 H521Y504-N506 HydrophobicContact CE2-CB 4.43Å; Y504-V512 HydrophobicContact CD1-CB 4.16Å; Y504-V512 HydrophobicContact CE1-CB 3.69Å; Y504-V512 HydrophobicContact CE1-CG1 3.74Å; Y504-V512 HydrophobicContact CE1-CG2 4.29Å; Y504-V512 HydrophobicContact CE2-CB 4.39Å; Y504-V512 HydrophobicContact CE2-CG2 4.2Å; Y504-V512 PolarHBondContact O-N 3.04Å; Y504-I518 HydrophobicContact CD1-CG1 4.03Å; Y504-I518 HydrophobicContact CE1-CG1 4.17Å; Y504-H521 AromaticContact CD2-NE2 3.98Å; Y504-H521 HydrophobicContact CE1-CB 3.91Å; Y504-H521 AromaticContact CE2-CG 3.95Å; Y504-H521 AromaticContact CE2-ND1 3.91Å; Y504-H521 AromaticContact CZ-CG 3.82Å
505V85.9Confident86.4Confident44 Ų4451.1 Ų51.127%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-95.1127.6172.6-177.10000108H432 E510 V511H432-V505 VanDerWaalsContact CE1-CG2 3.5Å; H432-V505 WeakPolarHBondContact CE1-CG2 3.31Å; V505-E510 WeakPolarHBondContact CA-O 3.39Å; V505-V511 HydrophobicContact CG2-CG2 4.47Å
506N82.9Confident86.2Confident52 Ų5256.4 Ų56.428%0.27830%0.304SS..  trans-78.5168.9178.7-16733000111.4Y504 N508 D509 E510 V512Y504-N506 HydrophobicContact CE2-CB 4.43Å; N506-N508 PolarHBondContact O-N 3.07Å; N506-D509 PolarHBondContact O-N 3.43Å; N506-E510 HydrophobicContact CB-CB 4.44Å; N506-E510 PolarHBondContact N-O 3.11Å; N506-V512 HydrophobicContact CB-CG2 4.13Å
507S81.5Confident86Confident108 Ų10863.2 Ų63.276%0.75533%0.329SS*.THydrogen-bonded Turntrans-54-24.9173.653.70000114.3D509S507-D509 PolarHBondContact O-N 3.18Å
508N77.1Confident85.9Confident99 Ų9958.1 Ų58.153%0.52930%0.302SS..THydrogen-bonded Turntrans-8411179.3-51.8-7.4000112.8N506 E510N506-N508 PolarHBondContact O-N 3.07Å; N508-E510 HydrophobicContact CB-CB 4.49Å; N508-E510 HydrophobicContact CB-CG 3.92Å; N508-E510 WeakPolarHBondContact CB-OE2 3.39Å; N508-E510 PolarHBondContact ND2-OE2 3.34Å; N508-E510 PolarHBondContact O-N 3.39Å; N508-E510 VanDerWaalsContact O-N 3.16Å
509D74.6Confident85.8Confident56 Ų5658 Ų5830%0.29931%0.305SS..SBendtrans53.823.9-166.6-84.3-51.4000113.8R4 G6 H7 N506 S507R4-D509 IonicContact NH1-OD1 3.19Å; R4-D509 IonicContact NH1-OD2 2.7Å; R4-D509 PolarHBondContact NH1-OD2 2.99Å; G6-D509 CarbonylContact C-O 3.57Å; G6-D509 WeakPolarHBondContact CA-O 3.23Å; H7-D509 PolarHBondContact N-O 2.71Å; N506-D509 PolarHBondContact O-N 3.43Å; S507-D509 PolarHBondContact O-N 3.18Å
510E77.9Confident85.9Confident69 Ų6961.6 Ų61.632%0.32233%0.327SS..BIsolated β-bridgetrans-90.9138.1176.6-66.8174.8119.500112.4V505 N506 N508 V512V505-E510 WeakPolarHBondContact CA-O 3.39Å; N506-E510 HydrophobicContact CB-CB 4.44Å; N506-E510 PolarHBondContact N-O 3.11Å; N508-E510 HydrophobicContact CB-CB 4.49Å; N508-E510 HydrophobicContact CB-CG 3.92Å; N508-E510 WeakPolarHBondContact CB-OE2 3.39Å; N508-E510 PolarHBondContact ND2-OE2 3.34Å; N508-E510 PolarHBondContact O-N 3.39Å; N508-E510 VanDerWaalsContact O-N 3.16Å; E510-V512 PolarHBondContact O-N 3.06Å
511V83.1Confident85.8Confident33 Ų3364.6 Ų64.620%0.234%0.342CS..EExtended strand (participates in β ladder)trans-84.3114.5176.6-175.30000112.1G6 H7 V505G6-V511 WeakPolarHBondContact O-CG2 3.32Å; H7-V511 PolarHBondContact O-N 3.49Å; V505-V511 HydrophobicContact CG2-CG2 4.47Å
512V84.9Confident85.8Confident18 Ų1860.6 Ų60.611%0.10933%0.326CS..EExtended strand (participates in β ladder)trans-90.8121.1178.6-178.70000111T503 Y504 N506 E510 R517T503-V512 WeakPolarHBondContact CA-O 3.21Å; T503-V512 VanDerWaalsContact CB-O 3.31Å; T503-V512 WeakPolarHBondContact CB-O 3.39Å; Y504-V512 HydrophobicContact CD1-CB 4.16Å; Y504-V512 HydrophobicContact CE1-CB 3.69Å; Y504-V512 HydrophobicContact CE1-CG1 3.74Å; Y504-V512 HydrophobicContact CE1-CG2 4.29Å; Y504-V512 HydrophobicContact CE2-CB 4.39Å; Y504-V512 HydrophobicContact CE2-CG2 4.2Å; Y504-V512 PolarHBondContact O-N 3.04Å; N506-V512 HydrophobicContact CB-CG2 4.13Å; E510-V512 PolarHBondContact O-N 3.06Å; V512-R517 HydrophobicContact CG1-CB 3.79Å
513S83.1Confident85.9Confident43 Ų4365 Ų6530%0.30134%0.344SS..  trans-108.6-17.9-174.461.30000115.6
514H84.1Confident85.9Confident116 Ų11674.1 Ų74.154%0.53738%0.383SS..  trans-74.4126.4-175.5-67.7-74.7000112.2V516 R517 I518H514-V516 VanDerWaalsContact C-N 3.31Å; H514-V516 PolarHBondContact O-N 3.45Å; H514-R517 HydrophobicContact CB-CG 4.44Å; H514-R517 PolarHBondContact O-N 3.48Å; H514-R517 VanDerWaalsContact O-N 3.08Å; H514-I518 WeakPolarHBondContact O-CG1 3.48Å; H514-I518 PolarHBondContact O-N 3.02Å; H514-I518 VanDerWaalsContact O-N 3.08Å
515P86.7Confident85.8Confident47 Ų4773.8 Ų73.831%0.30539%0.394SS..Hα-helixtrans-62.9-32.4-171.623.8-34.2000113.7I518 A519P515-I518 PolarHBondContact O-N 2.95Å; P515-A519 WeakPolarHBondContact O-CB 3.45Å; P515-A519 PolarHBondContact O-N 3.41Å
516V88.6Confident85.8Confident112 Ų11277.4 Ų77.468%0.67940%0.403SS*.Hα-helixtrans-67.4-39.5177-177.20000111.6H514 A519 V520H514-V516 VanDerWaalsContact C-N 3.31Å; H514-V516 PolarHBondContact O-N 3.45Å; V516-A519 PolarHBondContact O-N 3.11Å; V516-V520 WeakPolarHBondContact O-CG2 3.22Å; V516-V520 PolarHBondContact O-N 3.28Å
517R88.5Confident86.2Confident162 Ų16276.6 Ų76.661%0.61140%0.397SS*.Hα-helixtrans-69.2-41.7176.3-67.4-171.4-178.1-176.12.3111.2V512 H514 V520 H521V512-R517 HydrophobicContact CG1-CB 3.79Å; H514-R517 HydrophobicContact CB-CG 4.44Å; H514-R517 PolarHBondContact O-N 3.48Å; H514-R517 VanDerWaalsContact O-N 3.08Å; R517-V520 PolarHBondContact O-N 3.07Å; R517-H521 WeakPolarHBondContact O-CB 3.06Å; R517-H521 PolarHBondContact O-N 3.22Å
518I91.2Very high86.6Confident4 Ų476.5 Ų76.52%0.02139%0.388CS..Hα-helixtrans-57.2-49.3173.5-64.7164.4000110.4F500 T502 Y504 H514 P515 H521 Y522F500-I518 WeakPolarHBondContact O-CG2 3.24Å; T502-I518 VanDerWaalsContact O-CG2 3.28Å; T502-I518 WeakPolarHBondContact O-CG2 3.41Å; Y504-I518 HydrophobicContact CD1-CG1 4.03Å; Y504-I518 HydrophobicContact CE1-CG1 4.17Å; H514-I518 WeakPolarHBondContact O-CG1 3.48Å; H514-I518 PolarHBondContact O-N 3.02Å; H514-I518 VanDerWaalsContact O-N 3.08Å; P515-I518 PolarHBondContact O-N 2.95Å; I518-H521 PolarHBondContact O-N 2.83Å; I518-Y522 WeakPolarHBondContact O-CB 3.46Å; I518-Y522 PolarHBondContact O-N 3.47Å
519A90.5Very high87.2Confident22 Ų2274.8 Ų74.818%0.18238%0.378CS..Hα-helixtrans-61.6-47.9179.300000112.6F500 P515 V516 H521 Y522 F523F500-A519 HydrophobicContact CD1-CB 3.96Å; F500-A519 HydrophobicContact CE1-CB 4.13Å; P515-A519 WeakPolarHBondContact O-CB 3.45Å; P515-A519 PolarHBondContact O-N 3.41Å; V516-A519 PolarHBondContact O-N 3.11Å; A519-H521 VanDerWaalsContact C-N 3.32Å; A519-H521 PolarHBondContact O-N 3.31Å; A519-Y522 PolarHBondContact O-N 3.26Å; A519-F523 HydrophobicContact CB-CD2 4.41Å; A519-F523 HydrophobicContact CB-CE2 4.49Å; A519-F523 WeakPolarHBondContact O-CB 3.26Å; A519-F523 WeakPolarHBondContact O-CD2 3.43Å; A519-F523 PolarHBondContact O-N 3.14Å
520V91.3Very high87.9Confident97 Ų9772.1 Ų72.159%0.58836%0.364SS*.Hα-helixtrans-60.9-40.8178170.30000111.7V516 R517 K524V516-V520 WeakPolarHBondContact O-CG2 3.22Å; V516-V520 PolarHBondContact O-N 3.28Å; R517-V520 PolarHBondContact O-N 3.07Å; V520-K524 WeakPolarHBondContact O-CB 3.48Å; V520-K524 PolarHBondContact O-N 2.9Å; V520-K524 VanDerWaalsContact O-N 3.12Å
521H90Very high88.5Confident102 Ų10272.5 Ų72.547%0.47237%0.366SS..Hα-helixtrans-63.4-45.4175.2-179.580.1000111.9Y504 R517 I518 A519 K524 G525Y504-H521 AromaticContact CD2-NE2 3.98Å; Y504-H521 HydrophobicContact CE1-CB 3.91Å; Y504-H521 AromaticContact CE2-CG 3.95Å; Y504-H521 AromaticContact CE2-ND1 3.91Å; Y504-H521 AromaticContact CZ-CG 3.82Å; R517-H521 WeakPolarHBondContact O-CB 3.06Å; R517-H521 PolarHBondContact O-N 3.22Å; I518-H521 PolarHBondContact O-N 2.83Å; A519-H521 VanDerWaalsContact C-N 3.32Å; A519-H521 PolarHBondContact O-N 3.31Å; H521-K524 PolarHBondContact O-N 3.33Å; H521-G525 PolarHBondContact O-N 3.02Å
522Y91.3Very high88.8Confident19 Ų1973.6 Ų73.68%0.07537%0.373CS..Hα-helixtrans-67.8-40.6179.9-172.8-136.2000112.9I496 N499 F500 I518 A519 K524 G525 W526 F527 D530I496-Y522 HydrophobicContact CG2-CE1 4.29Å; N499-Y522 HydrophobicContact CB-CE1 4.19Å; F500-Y522 AromaticContact CD1-CD1 3.85Å; F500-Y522 HydrophobicContact CD1-CD1 3.85Å; F500-Y522 HydrophobicContact CD2-CD1 4.11Å; F500-Y522 HydrophobicContact CD2-CE1 4.04Å; F500-Y522 AromaticContact CE1-CD1 3.69Å; F500-Y522 HydrophobicContact CE1-CD1 3.69Å; F500-Y522 HydrophobicContact CE1-CE1 4.44Å; F500-Y522 AromaticContact CE2-CD1 3.95Å; F500-Y522 HydrophobicContact CE2-CD1 3.95Å; F500-Y522 AromaticContact CE2-CE1 3.87Å; F500-Y522 HydrophobicContact CE2-CE1 3.87Å; F500-Y522 HydrophobicContact CG-CD1 4.05Å; F500-Y522 HydrophobicContact CG-CE1 4.39Å; F500-Y522 AromaticContact CZ-CD1 3.74Å; F500-Y522 HydrophobicContact CZ-CD1 3.74Å; F500-Y522 HydrophobicContact CZ-CE1 4.08Å; I518-Y522 WeakPolarHBondContact O-CB 3.46Å; I518-Y522 PolarHBondContact O-N 3.47Å; A519-Y522 PolarHBondContact O-N 3.26Å; Y522-K524 PolarHBondContact O-N 3.49Å; Y522-G525 CarbonylContact O-C 3.56Å; Y522-G525 PolarHBondContact O-N 3.24Å; Y522-W526 HydrophobicContact CD2-CB 4.29Å; Y522-W526 HydrophobicContact CE2-CB 3.98Å; Y522-W526 PolarHBondContact O-N 2.99Å; Y522-F527 HydrophobicContact CD1-CB 4.22Å; Y522-F527 HydrophobicContact CD1-CD2 4.32Å; Y522-F527 HydrophobicContact CE1-CB 4.27Å; Y522-F527 AromaticContact CE1-CD2 3.96Å; Y522-F527 HydrophobicContact CE1-CD2 3.96Å; Y522-F527 HydrophobicContact CG-CB 4.38Å; Y522-F527 WeakPolarHBondContact O-CB 3.5Å; Y522-F527 PolarHBondContact O-N 3.38Å; Y522-F527 VanDerWaalsContact O-N 3.11Å; Y522-D530 WeakPolarHBondContact CE2-OD2 3.46Å; Y522-D530 VanDerWaalsContact OH-CB 3.25Å; Y522-D530 WeakPolarHBondContact OH-CB 3.31Å; Y522-D530 PolarHBondContact OH-OD2 3.33Å
523F91.6Very high88.9Confident113 Ų11372.8 Ų72.850%0.49637%0.368SS..Hα-helixtrans-62.3-37.5174.6-85.7-61.5000113.2F500 A519 G525 F527F500-F523 AromaticContact CE1-CD2 3.93Å; F500-F523 HydrophobicContact CE1-CD2 3.93Å; F500-F523 HydrophobicContact CE1-CE1 4.46Å; F500-F523 AromaticContact CE1-CE2 3.53Å; F500-F523 HydrophobicContact CE1-CE2 3.53Å; F500-F523 AromaticContact CE1-CZ 3.83Å; F500-F523 HydrophobicContact CE1-CZ 3.83Å; F500-F523 HydrophobicContact CZ-CD2 4.39Å; F500-F523 AromaticContact CZ-CE1 3.99Å; F500-F523 HydrophobicContact CZ-CE1 3.99Å; F500-F523 AromaticContact CZ-CE2 3.83Å; F500-F523 HydrophobicContact CZ-CE2 3.83Å; F500-F523 AromaticContact CZ-CZ 3.6Å; F500-F523 HydrophobicContact CZ-CZ 3.6Å; A519-F523 HydrophobicContact CB-CD2 4.41Å; A519-F523 HydrophobicContact CB-CE2 4.49Å; A519-F523 WeakPolarHBondContact O-CB 3.26Å; A519-F523 WeakPolarHBondContact O-CD2 3.43Å; A519-F523 PolarHBondContact O-N 3.14Å; F523-G525 VanDerWaalsContact C-N 3.28Å; F523-G525 PolarHBondContact O-N 3Å; F523-F527 HydrophobicContact CD1-CB 4.21Å; F523-F527 AromaticContact CD1-CD1 3.46Å; F523-F527 HydrophobicContact CD1-CD1 3.46Å; F523-F527 VanDerWaalsContact CD1-CD1 3.46Å; F523-F527 HydrophobicContact CD1-CD2 4.4Å; F523-F527 AromaticContact CD1-CE1 3.92Å; F523-F527 HydrophobicContact CD1-CE1 3.92Å; F523-F527 AromaticContact CD1-CG 3.74Å; F523-F527 HydrophobicContact CD1-CG 3.74Å; F523-F527 AromaticContact CE1-CD1 3.59Å; F523-F527 HydrophobicContact CE1-CD1 3.59Å; F523-F527 HydrophobicContact CE1-CD2 4.2Å; F523-F527 AromaticContact CE1-CE1 3.55Å; F523-F527 HydrophobicContact CE1-CE1 3.55Å; F523-F527 HydrophobicContact CE1-CE2 4.17Å; F523-F527 AromaticContact CE1-CG 3.92Å; F523-F527 HydrophobicContact CE1-CG 3.92Å; F523-F527 AromaticContact CE1-CZ 3.85Å; F523-F527 HydrophobicContact CE1-CZ 3.85Å
524K90.4Very high89Confident195 Ų19571.1 Ų71.185%0.84836%0.357SS*.Hα-helixtrans-70.2-23179.6-174.3172.7179.1-177.90113.2V520 H521 Y522V520-K524 WeakPolarHBondContact O-CB 3.48Å; V520-K524 PolarHBondContact O-N 2.9Å; V520-K524 VanDerWaalsContact O-N 3.12Å; H521-K524 PolarHBondContact O-N 3.33Å; Y522-K524 PolarHBondContact O-N 3.49Å
525G86.4Confident89.1Confident39 Ų3968.6 Ų68.640%0.40235%0.346SS..THydrogen-bonded Turntrans-115.7-101.1-178.600000112.8H521 Y522 F523 F527H521-G525 PolarHBondContact O-N 3.02Å; Y522-G525 CarbonylContact O-C 3.56Å; Y522-G525 PolarHBondContact O-N 3.24Å; F523-G525 VanDerWaalsContact C-N 3.28Å; F523-G525 PolarHBondContact O-N 3Å; G525-F527 PolarHBondContact O-N 3.03Å
526W86.7Confident88.9Confident120 Ų12068.4 Ų68.446%0.45535%0.345SS..THydrogen-bonded Turntrans-81.2-13.2-159-59.6107.9000116.2Y522 L528 I529 D530 V564 R568Y522-W526 HydrophobicContact CD2-CB 4.29Å; Y522-W526 HydrophobicContact CE2-CB 3.98Å; Y522-W526 PolarHBondContact O-N 2.99Å; W526-L528 VanDerWaalsContact C-N 3.28Å; W526-L528 PolarHBondContact O-N 3.28Å; W526-I529 HydrophobicContact CE3-CD1 3.98Å; W526-I529 HydrophobicContact CZ3-CD1 4.08Å; W526-I529 PolarHBondContact O-N 3.04Å; W526-D530 PolarHBondContact O-N 2.95Å; W526-V564 HydrophobicContact CE3-CG1 4.45Å; W526-V564 HydrophobicContact CZ3-CG1 3.87Å; W526-R568 HydrophobicContact CD2-CG 4.34Å; W526-R568 HydrophobicContact CE3-CG 4.43Å; W526-R568 HydrophobicContact CH2-CG 3.92Å; W526-R568 HydrophobicContact CZ2-CG 3.82Å; W526-R568 HydrophobicContact CZ3-CG 4.22Å
527F90.7Very high88.2Confident34 Ų3464.1 Ų64.115%0.14932%0.318CS..Hα-helixtrans-53.8-41.3-175.7171.8-99.8000113.3I496 F500 Y522 F523 G525 I529 D530 M531I496-F527 HydrophobicContact CG2-CD2 4.49Å; I496-F527 HydrophobicContact CG2-CE2 4.3Å; F500-F527 AromaticContact CE2-CD2 3.73Å; F500-F527 HydrophobicContact CE2-CD2 3.73Å; F500-F527 AromaticContact CE2-CE2 3.72Å; F500-F527 HydrophobicContact CE2-CE2 3.72Å; F500-F527 AromaticContact CZ-CD2 3.53Å; F500-F527 HydrophobicContact CZ-CD2 3.53Å; F500-F527 AromaticContact CZ-CE2 3.73Å; F500-F527 HydrophobicContact CZ-CE2 3.73Å; F500-F527 HydrophobicContact CZ-CG 4.34Å; Y522-F527 HydrophobicContact CD1-CB 4.22Å; Y522-F527 HydrophobicContact CD1-CD2 4.32Å; Y522-F527 HydrophobicContact CE1-CB 4.27Å; Y522-F527 AromaticContact CE1-CD2 3.96Å; Y522-F527 HydrophobicContact CE1-CD2 3.96Å; Y522-F527 HydrophobicContact CG-CB 4.38Å; Y522-F527 WeakPolarHBondContact O-CB 3.5Å; Y522-F527 PolarHBondContact O-N 3.38Å; Y522-F527 VanDerWaalsContact O-N 3.11Å; F523-F527 HydrophobicContact CD1-CB 4.21Å; F523-F527 AromaticContact CD1-CD1 3.46Å; F523-F527 HydrophobicContact CD1-CD1 3.46Å; F523-F527 VanDerWaalsContact CD1-CD1 3.46Å; F523-F527 HydrophobicContact CD1-CD2 4.4Å; F523-F527 AromaticContact CD1-CE1 3.92Å; F523-F527 HydrophobicContact CD1-CE1 3.92Å; F523-F527 AromaticContact CD1-CG 3.74Å; F523-F527 HydrophobicContact CD1-CG 3.74Å; F523-F527 AromaticContact CE1-CD1 3.59Å; F523-F527 HydrophobicContact CE1-CD1 3.59Å; F523-F527 HydrophobicContact CE1-CD2 4.2Å; F523-F527 AromaticContact CE1-CE1 3.55Å; F523-F527 HydrophobicContact CE1-CE1 3.55Å; F523-F527 HydrophobicContact CE1-CE2 4.17Å; F523-F527 AromaticContact CE1-CG 3.92Å; F523-F527 HydrophobicContact CE1-CG 3.92Å; F523-F527 AromaticContact CE1-CZ 3.85Å; F523-F527 HydrophobicContact CE1-CZ 3.85Å; G525-F527 PolarHBondContact O-N 3.03Å; F527-I529 PolarHBondContact O-N 3.19Å; F527-D530 PolarHBondContact O-N 3.05Å; F527-M531 HydrophobicContact CE1-CB 4.23Å; F527-M531 HydrophobicContact CE1-CE 4.23Å; F527-M531 HydrophobicContact CE1-CG 4.46Å; F527-M531 HydrophobicContact CE1-SD 3.58Å; F527-M531 VanDerWaalsContact CE1-SD 3.58Å; F527-M531 HydrophobicContact CE2-CB 4.31Å; F527-M531 HydrophobicContact CZ-CB 4.04Å; F527-M531 HydrophobicContact CZ-CG 4.15Å; F527-M531 HydrophobicContact CZ-SD 3.57Å; F527-M531 VanDerWaalsContact CZ-SD 3.57Å; F527-M531 WeakPolarHBondContact O-CB 3.2Å; F527-M531 PolarHBondContact O-N 3.24Å
528L89.9Confident87.3Confident107 Ų10758.4 Ų58.456%0.5630%0.299SS*.Hα-helixtrans-63.3-45.2-177.1-66.7174.9000112.4W526 M531 V532W526-L528 VanDerWaalsContact C-N 3.28Å; W526-L528 PolarHBondContact O-N 3.28Å; L528-M531 HydrophobicContact CD2-CE 4.07Å; L528-M531 PolarHBondContact O-N 3.37Å; L528-V532 WeakPolarHBondContact O-CG2 3.45Å; L528-V532 PolarHBondContact O-N 3.49Å
529I89.5Confident86.1Confident62 Ų6263.5 Ų63.532%0.31833%0.326SS..Hα-helixtrans-66-43.9176.8-62.2169.1000109.8W526 F527 M531 A533 V564W526-I529 HydrophobicContact CE3-CD1 3.98Å; W526-I529 HydrophobicContact CZ3-CD1 4.08Å; W526-I529 PolarHBondContact O-N 3.04Å; F527-I529 PolarHBondContact O-N 3.19Å; I529-M531 VanDerWaalsContact C-N 3.33Å; I529-M531 PolarHBondContact O-N 3.45Å; I529-A533 WeakPolarHBondContact O-CB 3.13Å; I529-A533 PolarHBondContact O-N 2.87Å; I529-V564 HydrophobicContact CG2-CB 4.41Å; I529-V564 HydrophobicContact CG2-CG1 4.48Å
530D90.5Very high84.9Confident1 Ų167 Ų671%0.00534%0.341CS..Hα-helixtrans-64.6-37.2179.8-79.3-26.6000112.5I496 Y522 W526 F527 A534 R565 R568I496-D530 WeakPolarHBondContact CD1-O 3.44Å; I496-D530 HydrophobicContact CG1-CB 4.3Å; Y522-D530 WeakPolarHBondContact CE2-OD2 3.46Å; Y522-D530 VanDerWaalsContact OH-CB 3.25Å; Y522-D530 WeakPolarHBondContact OH-CB 3.31Å; Y522-D530 PolarHBondContact OH-OD2 3.33Å; W526-D530 PolarHBondContact O-N 2.95Å; F527-D530 PolarHBondContact O-N 3.05Å; D530-A534 WeakPolarHBondContact O-CB 3.05Å; D530-A534 PolarHBondContact O-N 2.7Å; D530-R565 PolarHBondContact O-NH2 2.8Å; D530-R565 IonicContact OD1-CZ 2.74Å; D530-R565 VanDerWaalsContact OD1-CZ 3.29Å; D530-R565 IonicContact OD1-NE 2.67Å; D530-R565 PolarHBondContact OD1-NE 2.99Å; D530-R565 IonicContact OD1-NH2 3.59Å; D530-R565 PolarHBondContact OD1-NH2 3.07Å; D530-R568 IonicContact OD1-CZ 2.67Å; D530-R568 IonicContact OD1-NH1 2.88Å; D530-R568 IonicContact OD1-NH2 2.67Å; D530-R568 PolarHBondContact OD1-NH2 3.05Å; D530-R568 IonicContact OD2-CZ 2.66Å; D530-R568 IonicContact OD2-NH1 2.75Å; D530-R568 PolarHBondContact OD2-NH1 3.34Å; D530-R568 IonicContact OD2-NH2 3.84Å; D530-R568 PolarHBondContact OD2-NH2 3.36Å
531M89.4Confident83.5Confident77 Ų7764.6 Ų64.638%0.37933%0.325SS..Hα-helixtrans-66.8-53176179.2-179.369.200111.7F527 L528 I529 A533 A534F527-M531 HydrophobicContact CE1-CB 4.23Å; F527-M531 HydrophobicContact CE1-CE 4.23Å; F527-M531 HydrophobicContact CE1-CG 4.46Å; F527-M531 HydrophobicContact CE1-SD 3.58Å; F527-M531 VanDerWaalsContact CE1-SD 3.58Å; F527-M531 HydrophobicContact CE2-CB 4.31Å; F527-M531 HydrophobicContact CZ-CB 4.04Å; F527-M531 HydrophobicContact CZ-CG 4.15Å; F527-M531 HydrophobicContact CZ-SD 3.57Å; F527-M531 VanDerWaalsContact CZ-SD 3.57Å; F527-M531 WeakPolarHBondContact O-CB 3.2Å; F527-M531 PolarHBondContact O-N 3.24Å; L528-M531 HydrophobicContact CD2-CE 4.07Å; L528-M531 PolarHBondContact O-N 3.37Å; I529-M531 VanDerWaalsContact C-N 3.33Å; I529-M531 PolarHBondContact O-N 3.45Å; M531-A533 VanDerWaalsContact C-N 3.26Å; M531-A533 PolarHBondContact O-N 3.05Å; M531-A534 PolarHBondContact O-N 2.75Å
532V88.9Confident82Confident56 Ų5668.6 Ų68.634%0.33934%0.337SS..Hα-helixtrans-59-40.8178.9172.30000110.9L528 A534 I535 L561L528-V532 WeakPolarHBondContact O-CG2 3.45Å; L528-V532 PolarHBondContact O-N 3.49Å; V532-A534 PolarHBondContact O-N 3.26Å; V532-I535 PolarHBondContact O-N 3.12Å; V532-L561 HydrophobicContact CG1-CD1 4Å
533A87Confident80.6Confident1 Ų178.1 Ų78.11%0.00837%0.372CS..THydrogen-bonded Turntrans-65.3-14.5176.900000114.4I529 M531 L561 R562I529-A533 WeakPolarHBondContact O-CB 3.13Å; I529-A533 PolarHBondContact O-N 2.87Å; M531-A533 VanDerWaalsContact C-N 3.26Å; M531-A533 PolarHBondContact O-N 3.05Å; A533-L561 HydrophobicContact CB-CB 4.02Å; A533-R562 HydrophobicContact CB-CG 4Å; A533-R562 VanDerWaalsContact O-CZ 3.24Å; A533-R562 PolarHBondContact O-NE 3.28Å; A533-R562 PolarHBondContact O-NH2 2.67Å
534A86.9Confident78.9Confident8 Ų877.8 Ų77.87%0.06638%0.376CS..THydrogen-bonded Turntrans-106.65.3-176.900000114.4F492 I493 I496 D530 M531 V532 P536F492-A534 HydrophobicContact CB-CB 4.44Å; I493-A534 HydrophobicContact CG1-CB 4.25Å; I496-A534 HydrophobicContact CD1-CB 3.62Å; D530-A534 WeakPolarHBondContact O-CB 3.05Å; D530-A534 PolarHBondContact O-N 2.7Å; M531-A534 PolarHBondContact O-N 2.75Å; V532-A534 PolarHBondContact O-N 3.26Å; A534-P536 WeakPolarHBondContact O-CD 3.2Å
535I85.4Confident77.1Confident62 Ų6271.5 Ų71.532%0.31837%0.366SS..  trans-76.7123.6177.3-62.2172.3000110V532 F537 L540V532-I535 PolarHBondContact O-N 3.12Å; I535-F537 HydrophobicContact CB-CD2 4.32Å; I535-F537 HydrophobicContact CB-CE1 4.25Å; I535-F537 HydrophobicContact CB-CE2 3.8Å; I535-F537 HydrophobicContact CB-CZ 3.76Å; I535-F537 HydrophobicContact CD1-CZ 4.19Å; I535-F537 HydrophobicContact CG2-CD1 3.93Å; I535-F537 HydrophobicContact CG2-CD2 4.23Å; I535-F537 HydrophobicContact CG2-CE1 3.72Å; I535-F537 HydrophobicContact CG2-CE2 4.03Å; I535-F537 HydrophobicContact CG2-CG 4.18Å; I535-F537 HydrophobicContact CG2-CZ 3.77Å; I535-F537 WeakPolarHBondContact O-CD2 3.18Å; I535-F537 PolarHBondContact O-N 3.37Å; I535-L540 HydrophobicContact CG2-CD1 4.44Å
536P82.7Confident75.6Confident43 Ų4378 Ų7828%0.27939%0.386SS..  trans-82.281175.933.3-34.1000110.5D489 A534 D538 L539D489-P536 HydrophobicContact CB-CB 4.46Å; D489-P536 WeakPolarHBondContact OD2-CA 3.34Å; D489-P536 WeakPolarHBondContact OD2-CB 3.25Å; A534-P536 WeakPolarHBondContact O-CD 3.2Å; P536-D538 PolarHBondContact O-N 3.03Å; P536-D538 VanDerWaalsContact O-N 3.11Å; P536-L539 PolarHBondContact O-N 3.43Å
537F74.2Confident74.1Confident22 Ų2281.2 Ų81.210%0.09641%0.406CS..THydrogen-bonded Turntrans-57.6-25.7-177.3-64.9-79.7000113.9I535 L539 L540 I541 L555 A558I535-F537 HydrophobicContact CB-CD2 4.32Å; I535-F537 HydrophobicContact CB-CE1 4.25Å; I535-F537 HydrophobicContact CB-CE2 3.8Å; I535-F537 HydrophobicContact CB-CZ 3.76Å; I535-F537 HydrophobicContact CD1-CZ 4.19Å; I535-F537 HydrophobicContact CG2-CD1 3.93Å; I535-F537 HydrophobicContact CG2-CD2 4.23Å; I535-F537 HydrophobicContact CG2-CE1 3.72Å; I535-F537 HydrophobicContact CG2-CE2 4.03Å; I535-F537 HydrophobicContact CG2-CG 4.18Å; I535-F537 HydrophobicContact CG2-CZ 3.77Å; I535-F537 WeakPolarHBondContact O-CD2 3.18Å; I535-F537 PolarHBondContact O-N 3.37Å; F537-L539 PolarHBondContact O-N 3.33Å; F537-L540 HydrophobicContact CD1-CD1 4.15Å; F537-L540 WeakPolarHBondContact O-CB 3.5Å; F537-L540 PolarHBondContact O-N 3.36Å; F537-I541 PolarHBondContact O-N 3.13Å; F537-L555 HydrophobicContact CD1-CB 4.28Å; F537-L555 HydrophobicContact CG-CB 4.47Å; F537-A558 HydrophobicContact CE2-CB 4.03Å; F537-A558 HydrophobicContact CZ-CB 4.48Å
538D68.2Low72.6Confident42 Ų4282.3 Ų82.323%0.22542%0.416CS..Hα-helixtrans-58.3-29.7174.7-61.5-57.9000113.5Y476 P536 L540 K556 R559Y476-D538 PolarHBondContact OH-O 3.42Å; P536-D538 PolarHBondContact O-N 3.03Å; P536-D538 VanDerWaalsContact O-N 3.11Å; D538-L540 VanDerWaalsContact C-N 3.31Å; D538-K556 WeakPolarHBondContact OD1-CE 3.39Å; D538-K556 IonicContact OD1-NZ 2.64Å; D538-K556 PolarHBondContact OD1-NZ 2.94Å; D538-R559 IonicContact OD2-CZ 2.72Å; D538-R559 IonicContact OD2-NH1 3.27Å; D538-R559 PolarHBondContact OD2-NH1 3.04Å; D538-R559 IonicContact OD2-NH2 2.76Å; D538-R559 PolarHBondContact OD2-NH2 3.18Å
539L66Low71.3Confident111 Ų11180.5 Ų80.558%0.58141%0.409SS*.Hα-helixtrans-78.2-17177.8-156.7104.8000112.9P536 F537P536-L539 PolarHBondContact O-N 3.43Å; F537-L539 PolarHBondContact O-N 3.33Å
540L66.3Low70.2Confident97 Ų9782.6 Ų82.651%0.50843%0.426SS..Hα-helixtrans-85.2-36175.8-65.7169.8000111.4I535 F537 D538 Y542 R543I535-L540 HydrophobicContact CG2-CD1 4.44Å; F537-L540 HydrophobicContact CD1-CD1 4.15Å; F537-L540 WeakPolarHBondContact O-CB 3.5Å; F537-L540 PolarHBondContact O-N 3.36Å; D538-L540 VanDerWaalsContact C-N 3.31Å; L540-Y542 PolarHBondContact O-N 3.48Å; L540-R543 PolarHBondContact O-N 3.16Å
541I61.7Low69Low46 Ų4688 Ų8824%0.23645%0.453CS..Hα-helixtrans-55.5-50.5178.1-63.4171.5000110.9F537 R543 N544 I552 K556F537-I541 PolarHBondContact O-N 3.13Å; I541-R543 PolarHBondContact O-N 3.24Å; I541-N544 PolarHBondContact O-N 2.91Å; I541-N544 VanDerWaalsContact O-N 3.12Å; I541-I552 HydrophobicContact CD1-CB 4.39Å; I541-I552 HydrophobicContact CD1-CG2 3.84Å; I541-I552 HydrophobicContact CG1-CB 3.99Å; I541-I552 HydrophobicContact CG1-CD1 4.42Å; I541-I552 HydrophobicContact CG1-CG2 3.36Å; I541-K556 VanDerWaalsContact CD1-CE 3.47Å
542Y58.6Low67.9Low186 Ų18685.5 Ų85.573%0.72944%0.441SS*.THydrogen-bonded Turntrans-59.9-13.9-176.4-176.9-99.4000114.7Y476 L540Y476-Y542 HydrophobicContact CE2-CD1 4.04Å; Y476-Y542 HydrophobicContact CE2-CD2 4.17Å; Y476-Y542 HydrophobicContact CE2-CE1 4.4Å; Y476-Y542 AromaticContact CE2-CG 3.92Å; Y476-Y542 HydrophobicContact CE2-CG 3.92Å; Y476-Y542 WeakPolarHBondContact OH-CB 3.19Å; L540-Y542 PolarHBondContact O-N 3.48Å
543R60.7Low66.8Low218 Ų21882.9 Ų82.982%0.82343%0.426SS*.THydrogen-bonded Turntrans-96.5-18-179.2-170.4167.4-179.1139.84114L540 I541L540-R543 PolarHBondContact O-N 3.16Å; I541-R543 PolarHBondContact O-N 3.24Å
544N56.5Low66.1Low106 Ų10688.2 Ų88.257%0.56745%0.454SS*.SBendtrans-127.4108.8-173.3-80.354.1000109.9I541I541-N544 PolarHBondContact O-N 2.91Å; I541-N544 VanDerWaalsContact O-N 3.12Å
545G52.5Low65.4Low63 Ų6391.6 Ų91.665%0.64947%0.47SS*.  trans-69.2144.5-170.200000115.9E547G545-E547 PolarHBondContact O-N 3.21Å
546E56.3Low65.1Low176 Ų17690.5 Ų90.582%0.82246%0.463SS*.SBendtrans63.1-50146.1-59-179.514800119.3
547E54.8Low65.1Low187 Ų18791.4 Ų91.487%0.87447%0.468SS*.THydrogen-bonded Turntrans-88.5-10-168-67-165.7157.500116.2G545G545-E547 PolarHBondContact O-N 3.21Å
548T58.5Low65.6Low57 Ų5791.3 Ų91.335%0.3547%0.471SS..THydrogen-bonded Turntrans-118.311.1-171.7480000114.9T550 L551 I552T548-T550 PolarHBondContact O-N 3.25Å; T548-L551 PolarHBondContact O-N 3.2Å; T548-I552 WeakPolarHBondContact O-CG1 3.45Å; T548-I552 PolarHBondContact O-N 3.07Å; T548-I552 WeakPolarHBondContact OG1-CD1 3.35Å
549T62.8Low66.4Low69 Ų6989.9 Ų89.942%0.42346%0.463SS..Hα-helixtrans-54.6-43.6-173540000114G553T549-G553 PolarHBondContact O-N 3.11Å
550T66.4Low67.4Low107 Ų10787 Ų8766%0.65645%0.447SS*.Hα-helixtrans-68-46.518055.10000112.5T548 I552 G553 L554T548-T550 PolarHBondContact O-N 3.25Å; T550-I552 PolarHBondContact O-N 3.23Å; T550-G553 PolarHBondContact O-N 3.27Å; T550-L554 PolarHBondContact O-N 3Å
551L65.9Low68.4Low113 Ų11385.7 Ų85.759%0.59244%0.441SS*.Hα-helixtrans-66.4-37.9179.8-168.770.5000111.7T548 L554 L555T548-L551 PolarHBondContact O-N 3.2Å; L551-L554 WeakPolarHBondContact O-CB 3.41Å; L551-L554 PolarHBondContact O-N 3.49Å; L551-L555 PolarHBondContact O-N 3.01Å
552I65.4Low69.7Low25 Ų2583.5 Ų83.513%0.12843%0.43CS..Hα-helixtrans-78.3-27.7176.2-47.6162.6000111.4I541 T548 T550 L554 L555 K556I541-I552 HydrophobicContact CD1-CB 4.39Å; I541-I552 HydrophobicContact CD1-CG2 3.84Å; I541-I552 HydrophobicContact CG1-CB 3.99Å; I541-I552 HydrophobicContact CG1-CD1 4.42Å; I541-I552 HydrophobicContact CG1-CG2 3.36Å; T548-I552 WeakPolarHBondContact O-CG1 3.45Å; T548-I552 PolarHBondContact O-N 3.07Å; T548-I552 WeakPolarHBondContact OG1-CD1 3.35Å; T550-I552 PolarHBondContact O-N 3.23Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.09Å; I552-L555 HydrophobicContact CG1-CD1 4.42Å; I552-L555 HydrophobicContact CG2-CB 4.37Å; I552-L555 HydrophobicContact CG2-CD1 4.27Å; I552-L555 WeakPolarHBondContact O-CB 3.23Å; I552-L555 PolarHBondContact O-N 3.06Å; I552-L555 VanDerWaalsContact O-N 3.16Å; I552-K556 PolarHBondContact O-N 3.28Å
553G66.9Low71Confident1 Ų176.6 Ų76.61%0.0141%0.405CS..Hα-helixtrans-55.7-45164.500000112T549 T550 K556T549-G553 PolarHBondContact O-N 3.11Å; T550-G553 PolarHBondContact O-N 3.27Å; G553-K556 WeakPolarHBondContact O-CB 3.28Å; G553-K556 WeakPolarHBondContact O-CG 3.33Å; G553-K556 PolarHBondContact O-N 2.6Å
554L71.1Confident72.3Confident113 Ų11368.5 Ų68.559%0.59238%0.38SS*.Hα-helixtrans-66.1-35.7172.8-68.3172.2000112.8T550 L551 I552 K556 T557T550-L554 PolarHBondContact O-N 3Å; L551-L554 WeakPolarHBondContact O-CB 3.41Å; L551-L554 PolarHBondContact O-N 3.49Å; I552-L554 VanDerWaalsContact C-N 3.31Å; I552-L554 PolarHBondContact O-N 3.09Å; L554-K556 PolarHBondContact O-N 3.27Å; L554-T557 VanDerWaalsContact O-CB 3.31Å; L554-T557 WeakPolarHBondContact O-CB 3.34Å; L554-T557 WeakPolarHBondContact O-CG2 3.32Å; L554-T557 PolarHBondContact O-N 3.25Å; L554-T557 PolarHBondContact O-OG1 3.19Å
555L73.4Confident73.6Confident79 Ų7963.6 Ų63.641%0.41435%0.353SS..Hα-helixtrans-60-26.7173.8-77.7167.7000113.2F537 L551 I552 T557 A558F537-L555 HydrophobicContact CD1-CB 4.28Å; F537-L555 HydrophobicContact CG-CB 4.47Å; L551-L555 PolarHBondContact O-N 3.01Å; I552-L555 HydrophobicContact CG1-CD1 4.42Å; I552-L555 HydrophobicContact CG2-CB 4.37Å; I552-L555 HydrophobicContact CG2-CD1 4.27Å; I552-L555 WeakPolarHBondContact O-CB 3.23Å; I552-L555 PolarHBondContact O-N 3.06Å; I552-L555 VanDerWaalsContact O-N 3.16Å; L555-T557 PolarHBondContact O-N 2.97Å; L555-A558 VanDerWaalsContact O-CB 3.23Å; L555-A558 WeakPolarHBondContact O-CB 3.34Å; L555-A558 PolarHBondContact O-N 3.16Å
556K77.9Confident75Confident40 Ų4061.9 Ų61.917%0.17433%0.33CS..G310 helixtrans-59.3-28.3172.6-52.6-167.8-167.7-162.10112.5T455 D538 I541 I552 G553 L554 A558 R559T455-K556 VanDerWaalsContact CG2-O 3.31Å; T455-K556 WeakPolarHBondContact CG2-O 3.4Å; D538-K556 WeakPolarHBondContact OD1-CE 3.39Å; D538-K556 IonicContact OD1-NZ 2.64Å; D538-K556 PolarHBondContact OD1-NZ 2.94Å; I541-K556 VanDerWaalsContact CD1-CE 3.47Å; I552-K556 PolarHBondContact O-N 3.28Å; G553-K556 WeakPolarHBondContact O-CB 3.28Å; G553-K556 WeakPolarHBondContact O-CG 3.33Å; G553-K556 PolarHBondContact O-N 2.6Å; L554-K556 PolarHBondContact O-N 3.27Å; K556-A558 PolarHBondContact O-N 3.46Å; K556-A558 VanDerWaalsContact O-N 3.15Å; K556-R559 WeakPolarHBondContact O-CB 3.14Å; K556-R559 WeakPolarHBondContact O-CG 3.47Å; K556-R559 PolarHBondContact O-N 3.36Å
557T82.3Confident76.2Confident62 Ų6256.5 Ų56.538%0.3832%0.316SS..G310 helixtrans-63-18.9177.170.10000113.2L554 L555 R559 L560L554-T557 VanDerWaalsContact O-CB 3.31Å; L554-T557 WeakPolarHBondContact O-CB 3.34Å; L554-T557 WeakPolarHBondContact O-CG2 3.32Å; L554-T557 PolarHBondContact O-N 3.25Å; L554-T557 PolarHBondContact O-OG1 3.19Å; L555-T557 PolarHBondContact O-N 2.97Å; T557-R559 PolarHBondContact O-N 3.29Å; T557-R559 VanDerWaalsContact O-N 3.11Å; T557-L560 VanDerWaalsContact O-CB 3.28Å; T557-L560 WeakPolarHBondContact O-CB 3.45Å; T557-L560 WeakPolarHBondContact O-CG 3.37Å; T557-L560 PolarHBondContact O-N 2.9Å
558A84.5Confident77.3Confident20 Ų2050.8 Ų50.817%0.16529%0.286CS..G310 helixtrans-59.2-20.8170.900000112.9F537 L555 K556 L560 L561F537-A558 HydrophobicContact CE2-CB 4.03Å; F537-A558 HydrophobicContact CZ-CB 4.48Å; L555-A558 VanDerWaalsContact O-CB 3.23Å; L555-A558 WeakPolarHBondContact O-CB 3.34Å; L555-A558 PolarHBondContact O-N 3.16Å; K556-A558 PolarHBondContact O-N 3.46Å; K556-A558 VanDerWaalsContact O-N 3.15Å; A558-L560 PolarHBondContact O-N 3.35Å; A558-L561 VanDerWaalsContact O-CB 3.28Å; A558-L561 WeakPolarHBondContact O-CB 3.28Å; A558-L561 WeakPolarHBondContact O-CG 3.43Å; A558-L561 PolarHBondContact O-N 3.31Å; A558-L561 VanDerWaalsContact O-N 3.09Å
559R86.4Confident78.2Confident11 Ų1149.5 Ų49.54%0.04228%0.276CS..G310 helixtrans-59.2-24.6169-68.8-174.6166.4132.24.3112.7T455 D489 D538 K556 T557 L561 R562T455-R559 HydrophobicContact CG2-CB 4.13Å; D489-R559 IonicContact OD1-CZ 2.81Å; D489-R559 IonicContact OD1-NE 3.69Å; D489-R559 PolarHBondContact OD1-NE 3.07Å; D489-R559 IonicContact OD1-NH2 3.43Å; D489-R559 IonicContact OD2-CZ 2.75Å; D489-R559 IonicContact OD2-NE 2.67Å; D489-R559 PolarHBondContact OD2-NE 3.37Å; D489-R559 IonicContact OD2-NH2 2.99Å; D489-R559 PolarHBondContact OD2-NH2 2.99Å; D538-R559 IonicContact OD2-CZ 2.72Å; D538-R559 IonicContact OD2-NH1 3.27Å; D538-R559 PolarHBondContact OD2-NH1 3.04Å; D538-R559 IonicContact OD2-NH2 2.76Å; D538-R559 PolarHBondContact OD2-NH2 3.18Å; K556-R559 WeakPolarHBondContact O-CB 3.14Å; K556-R559 WeakPolarHBondContact O-CG 3.47Å; K556-R559 PolarHBondContact O-N 3.36Å; T557-R559 PolarHBondContact O-N 3.29Å; T557-R559 VanDerWaalsContact O-N 3.11Å; R559-L561 PolarHBondContact O-N 3.2Å; R559-R562 WeakPolarHBondContact O-CB 3.34Å; R559-R562 WeakPolarHBondContact O-CD 3.24Å; R559-R562 WeakPolarHBondContact O-CG 3.36Å; R559-R562 PolarHBondContact O-N 2.88Å; R559-R562 VanDerWaalsContact O-N 3.12Å
560L86.7Confident78.9Confident50 Ų5050.3 Ų50.326%0.26228%0.277SS..G310 helixtrans-66.3-19.9175.3-63.8176.2000113.3P456 T557 A558 R562 L563P456-L560 HydrophobicContact CG-CD1 4.42Å; P456-L560 HydrophobicContact CG-CD2 4.06Å; T557-L560 VanDerWaalsContact O-CB 3.28Å; T557-L560 WeakPolarHBondContact O-CB 3.45Å; T557-L560 WeakPolarHBondContact O-CG 3.37Å; T557-L560 PolarHBondContact O-N 2.9Å; A558-L560 PolarHBondContact O-N 3.35Å; L560-R562 PolarHBondContact O-N 3.29Å; L560-L563 HydrophobicContact CD2-CD1 4.25Å; L560-L563 WeakPolarHBondContact O-CB 3.38Å; L560-L563 PolarHBondContact O-N 2.76Å
561L87.5Confident79.2Confident70 Ų7051.4 Ų51.437%0.36628%0.279SS..G310 helixtrans-59.4-17.5171.6-62.3174.2000112.6V532 A533 A558 R559 L563 V564V532-L561 HydrophobicContact CG1-CD1 4Å; A533-L561 HydrophobicContact CB-CB 4.02Å; A558-L561 VanDerWaalsContact O-CB 3.28Å; A558-L561 WeakPolarHBondContact O-CB 3.28Å; A558-L561 WeakPolarHBondContact O-CG 3.43Å; A558-L561 PolarHBondContact O-N 3.31Å; A558-L561 VanDerWaalsContact O-N 3.09Å; R559-L561 PolarHBondContact O-N 3.2Å; L561-L563 PolarHBondContact O-N 3.47Å; L561-V564 WeakPolarHBondContact O-CB 3.41Å; L561-V564 WeakPolarHBondContact O-CG2 3.27Å; L561-V564 PolarHBondContact O-N 2.85Å
562R88.6Confident79.6Confident1 Ų149 Ų490%0.00426%0.262CS..G310 helixtrans-57.4-24.5170.5-65.2169.4-172.8-170.2-0.9112.8V448 D489 F492 A533 R559 L560 V564 R565V448-R562 HydrophobicContact CG1-CB 4.36Å; V448-R562 HydrophobicContact CG2-CB 4.23Å; D489-R562 IonicContact OD1-CZ 2.95Å; D489-R562 IonicContact OD1-NH1 2.67Å; D489-R562 PolarHBondContact OD1-NH1 3.04Å; D489-R562 IonicContact OD1-NH2 3.98Å; D489-R562 PolarHBondContact OD1-NH2 3.49Å; D489-R562 IonicContact OD2-NH2 3.69Å; F492-R562 HydrophobicContact CE1-CB 4.46Å; F492-R562 HydrophobicContact CE1-CG 4.3Å; F492-R562 HydrophobicContact CZ-CB 4.42Å; F492-R562 HydrophobicContact CZ-CG 4.29Å; A533-R562 HydrophobicContact CB-CG 4Å; A533-R562 VanDerWaalsContact O-CZ 3.24Å; A533-R562 PolarHBondContact O-NE 3.28Å; A533-R562 PolarHBondContact O-NH2 2.67Å; R559-R562 WeakPolarHBondContact O-CB 3.34Å; R559-R562 WeakPolarHBondContact O-CD 3.24Å; R559-R562 WeakPolarHBondContact O-CG 3.36Å; R559-R562 PolarHBondContact O-N 2.88Å; R559-R562 VanDerWaalsContact O-N 3.12Å; L560-R562 PolarHBondContact O-N 3.29Å; R562-V564 VanDerWaalsContact C-N 3.27Å; R562-V564 PolarHBondContact O-N 3.22Å; R562-R565 WeakPolarHBondContact O-CB 3.37Å; R562-R565 VanDerWaalsContact O-CG 3.25Å; R562-R565 WeakPolarHBondContact O-CG 3.31Å; R562-R565 PolarHBondContact O-N 2.89Å
563L86Confident79.9Confident41 Ų4148.1 Ų48.122%0.21526%0.257CS..G310 helixtrans-68.3-23.6175.9-72153.3000113.4V448 A452 L560 L561 R565 V566 A567 W594V448-L563 HydrophobicContact CG1-CD2 3.7Å; V448-L563 HydrophobicContact CG1-CG 3.94Å; A452-L563 HydrophobicContact CB-CD1 3.93Å; A452-L563 HydrophobicContact CB-CD2 3.95Å; A452-L563 HydrophobicContact CB-CG 4.24Å; L560-L563 HydrophobicContact CD2-CD1 4.25Å; L560-L563 WeakPolarHBondContact O-CB 3.38Å; L560-L563 PolarHBondContact O-N 2.76Å; L561-L563 PolarHBondContact O-N 3.47Å; L563-R565 PolarHBondContact O-N 3.16Å; L563-V566 WeakPolarHBondContact O-CB 3.23Å; L563-V566 PolarHBondContact O-N 3.2Å; L563-A567 PolarHBondContact O-N 3.15Å; L563-W594 HydrophobicContact CD1-CH2 3.71Å; L563-W594 HydrophobicContact CD1-CZ2 3.52Å
564V87.1Confident80.2Confident48 Ų4850.9 Ų50.929%0.29128%0.276SS..Hα-helixtrans-62.4-22.5170.4-174.10000111.1W526 I529 L561 R562 V566 R568W526-V564 HydrophobicContact CE3-CG1 4.45Å; W526-V564 HydrophobicContact CZ3-CG1 3.87Å; I529-V564 HydrophobicContact CG2-CB 4.41Å; I529-V564 HydrophobicContact CG2-CG1 4.48Å; L561-V564 WeakPolarHBondContact O-CB 3.41Å; L561-V564 WeakPolarHBondContact O-CG2 3.27Å; L561-V564 PolarHBondContact O-N 2.85Å; R562-V564 VanDerWaalsContact C-N 3.27Å; R562-V564 PolarHBondContact O-N 3.22Å; V564-V566 VanDerWaalsContact C-N 3.27Å; V564-V566 PolarHBondContact O-N 3.15Å; V564-R568 WeakPolarHBondContact O-CG 3.4Å; V564-R568 PolarHBondContact O-N 2.91Å; V564-R568 PolarHBondContact O-NE 3.43Å
565R83.7Confident80.4Confident2 Ų247.3 Ų47.31%0.00826%0.257CS..Hα-helixtrans-68.2-23.5171.3-48.5-148.1173.9179.19.4113.1D495 D530 R562 L563 K569D495-R565 IonicContact OD2-CZ 3.42Å; D495-R565 IonicContact OD2-NH1 3.13Å; D495-R565 PolarHBondContact OD2-NH1 2.75Å; D530-R565 PolarHBondContact O-NH2 2.8Å; D530-R565 IonicContact OD1-CZ 2.74Å; D530-R565 VanDerWaalsContact OD1-CZ 3.29Å; D530-R565 IonicContact OD1-NE 2.67Å; D530-R565 PolarHBondContact OD1-NE 2.99Å; D530-R565 IonicContact OD1-NH2 3.59Å; D530-R565 PolarHBondContact OD1-NH2 3.07Å; R562-R565 WeakPolarHBondContact O-CB 3.37Å; R562-R565 VanDerWaalsContact O-CG 3.25Å; R562-R565 WeakPolarHBondContact O-CG 3.31Å; R562-R565 PolarHBondContact O-N 2.89Å; L563-R565 PolarHBondContact O-N 3.16Å; R565-K569 WeakPolarHBondContact O-CG 3.37Å
566V83.8Confident80.6Confident27 Ų2750.5 Ų50.516%0.16426%0.264CS..Hα-helixtrans-82.2-46.9177.3-1750000110.5L445 V448 L563 V564 R568 K569 L570L445-V566 HydrophobicContact CD1-CB 4.39Å; L445-V566 HydrophobicContact CD1-CG1 3.83Å; L445-V566 HydrophobicContact CD1-CG2 3.69Å; V448-V566 HydrophobicContact CB-CG2 4.21Å; V448-V566 HydrophobicContact CG1-CG2 3.73Å; L563-V566 WeakPolarHBondContact O-CB 3.23Å; L563-V566 PolarHBondContact O-N 3.2Å; V564-V566 VanDerWaalsContact C-N 3.27Å; V564-V566 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact C-N 3.29Å; V566-R568 PolarHBondContact O-N 3.21Å; V566-K569 CarbonylContact O-C 3.5Å; V566-K569 WeakPolarHBondContact O-CA 3.45Å; V566-K569 PolarHBondContact O-N 3.32Å; V566-L570 PolarHBondContact O-N 3.09Å
567A79.6Confident80.5Confident64 Ų6449.7 Ų49.753%0.52927%0.267SS..Hα-helixtrans-53.7-45.2176.900000112L563 K569 L570L563-A567 PolarHBondContact O-N 3.15Å; A567-K569 PolarHBondContact O-N 3.13Å; A567-K569 VanDerWaalsContact O-N 3.13Å; A567-L570 VanDerWaalsContact O-CB 3.23Å; A567-L570 WeakPolarHBondContact O-CB 3.35Å; A567-L570 PolarHBondContact O-N 2.99Å; A567-L570 VanDerWaalsContact O-N 3.12Å
568R79.4Confident80.4Confident67 Ų6750.6 Ų50.625%0.25328%0.281SS..THydrogen-bonded Turntrans-63.1-14.9175.3-70.5-175.8-63.1162.3-8.7115.8W526 D530 V564 V566W526-R568 HydrophobicContact CD2-CG 4.34Å; W526-R568 HydrophobicContact CE3-CG 4.43Å; W526-R568 HydrophobicContact CH2-CG 3.92Å; W526-R568 HydrophobicContact CZ2-CG 3.82Å; W526-R568 HydrophobicContact CZ3-CG 4.22Å; D530-R568 IonicContact OD1-CZ 2.67Å; D530-R568 IonicContact OD1-NH1 2.88Å; D530-R568 IonicContact OD1-NH2 2.67Å; D530-R568 PolarHBondContact OD1-NH2 3.05Å; D530-R568 IonicContact OD2-CZ 2.66Å; D530-R568 IonicContact OD2-NH1 2.75Å; D530-R568 PolarHBondContact OD2-NH1 3.34Å; D530-R568 IonicContact OD2-NH2 3.84Å; D530-R568 PolarHBondContact OD2-NH2 3.36Å; V564-R568 WeakPolarHBondContact O-CG 3.4Å; V564-R568 PolarHBondContact O-N 2.91Å; V564-R568 PolarHBondContact O-NE 3.43Å; V566-R568 VanDerWaalsContact C-N 3.29Å; V566-R568 PolarHBondContact O-N 3.21Å
569K76.2Confident80.2Confident29 Ų2950.4 Ų50.413%0.12628%0.279CS..THydrogen-bonded Turntrans-111.20.7179.3-61.9177.9-166.9179.10111.7D441 R565 V566 A567 D571 R572 Y573D441-K569 HydrophobicContact CB-CD 4.49Å; D441-K569 WeakPolarHBondContact OD1-CE 3.41Å; D441-K569 IonicContact OD1-NZ 3.99Å; D441-K569 PolarHBondContact OD1-NZ 3.23Å; R565-K569 WeakPolarHBondContact O-CG 3.37Å; V566-K569 CarbonylContact O-C 3.5Å; V566-K569 WeakPolarHBondContact O-CA 3.45Å; V566-K569 PolarHBondContact O-N 3.32Å; A567-K569 PolarHBondContact O-N 3.13Å; A567-K569 VanDerWaalsContact O-N 3.13Å; K569-D571 VanDerWaalsContact C-N 3.28Å; K569-D571 PolarHBondContact O-N 3.32Å; K569-R572 WeakPolarHBondContact O-CB 3.46Å; K569-R572 PolarHBondContact O-N 2.97Å; K569-Y573 HydrophobicContact CB-CD2 4.19Å; K569-Y573 HydrophobicContact CB-CE2 3.62Å; K569-Y573 VanDerWaalsContact O-CD2 3.27Å; K569-Y573 WeakPolarHBondContact O-CD2 3.47Å; K569-Y573 PolarHBondContact O-N 2.91Å
570L77.9Confident80.1Confident86 Ų8651.8 Ų51.845%0.4529%0.289SS..Hα-helixtrans-59.5-38.2-178-174.361.4000112V566 A567 R572 Y573 S574 L583V566-L570 PolarHBondContact O-N 3.09Å; A567-L570 VanDerWaalsContact O-CB 3.23Å; A567-L570 WeakPolarHBondContact O-CB 3.35Å; A567-L570 PolarHBondContact O-N 2.99Å; A567-L570 VanDerWaalsContact O-N 3.12Å; L570-R572 PolarHBondContact O-N 3.17Å; L570-Y573 PolarHBondContact O-N 3.37Å; L570-Y573 VanDerWaalsContact O-N 3.07Å; L570-S574 WeakPolarHBondContact O-CB 3.31Å; L570-S574 PolarHBondContact O-N 3.29Å; L570-S574 PolarHBondContact O-OG 2.68Å; L570-L583 HydrophobicContact CD1-CD1 4.31Å
571D73.3Confident80Confident131 Ų13152.1 Ų52.170%0.70129%0.291SS*.Hα-helixtrans-60.5-27.1176.7-62.6-25.8000113.8K569 S574K569-D571 VanDerWaalsContact C-N 3.28Å; K569-D571 PolarHBondContact O-N 3.32Å; D571-S574 PolarHBondContact O-OG 2.98Å; D571-S574 VanDerWaalsContact O-OG 3.13Å
572R73.1Confident79.9Confident62 Ų6254.6 Ų54.623%0.23430%0.298CS..Hα-helixtrans-83.1-36.4174-177.2-176.3-60.5171.91.8111.9V3 D441 K569 L570 E575V3-R572 HydrophobicContact CG2-CG 3.74Å; D441-R572 IonicContact OD2-CZ 2.69Å; D441-R572 IonicContact OD2-NH1 3.29Å; D441-R572 PolarHBondContact OD2-NH1 3.4Å; K569-R572 WeakPolarHBondContact O-CB 3.46Å; K569-R572 PolarHBondContact O-N 2.97Å; L570-R572 PolarHBondContact O-N 3.17Å; R572-E575 WeakPolarHBondContact O-CB 3.28Å; R572-E575 VanDerWaalsContact O-CG 3.28Å; R572-E575 WeakPolarHBondContact O-CG 3.5Å
573Y72.3Confident79.7Confident7 Ų755.5 Ų55.53%0.02730%0.303CS..Hα-helixtrans-76.7-28.1179.2-58.7-46.9000112.3D441 W442 L445 K569 L570 E575 Y576 L583D441-Y573 PolarHBondContact O-OH 2.97Å; W442-Y573 HydrophobicContact CH2-CD1 4.34Å; W442-Y573 HydrophobicContact CH2-CE1 4.39Å; W442-Y573 HydrophobicContact CZ2-CD1 4.23Å; W442-Y573 HydrophobicContact CZ2-CE1 4.17Å; L445-Y573 HydrophobicContact CD2-CE1 4.44Å; L445-Y573 HydrophobicContact CD2-CE2 4.12Å; K569-Y573 HydrophobicContact CB-CD2 4.19Å; K569-Y573 HydrophobicContact CB-CE2 3.62Å; K569-Y573 VanDerWaalsContact O-CD2 3.27Å; K569-Y573 WeakPolarHBondContact O-CD2 3.47Å; K569-Y573 PolarHBondContact O-N 2.91Å; L570-Y573 PolarHBondContact O-N 3.37Å; L570-Y573 VanDerWaalsContact O-N 3.07Å; Y573-E575 PolarHBondContact O-N 3.12Å; Y573-Y576 PolarHBondContact O-N 3.07Å; Y573-L583 HydrophobicContact CD2-CD1 3.99Å; Y573-L583 HydrophobicContact CG-CD1 4.01Å
574S73.2Confident79.7Confident58 Ų5855.1 Ų55.141%0.40630%0.301SS..THydrogen-bonded Turntrans-67.7-15.1175.971.20000114.1L570 D571 Y576L570-S574 WeakPolarHBondContact O-CB 3.31Å; L570-S574 PolarHBondContact O-N 3.29Å; L570-S574 PolarHBondContact O-OG 2.68Å; D571-S574 PolarHBondContact O-OG 2.98Å; D571-S574 VanDerWaalsContact O-OG 3.13Å; S574-Y576 PolarHBondContact O-N 2.88Å
575E75.4Confident79.8Confident38 Ų3856.7 Ų56.718%0.17831%0.306CS..THydrogen-bonded Turntrans-59.7-33.9170.7-55.3-177.7-155.200112.3M1 P2 V3 R572 Y573M1-E575 WeakPolarHBondContact O-CG 3.41Å; M1-E575 VanDerWaalsContact O-OE2 3.09Å; P2-E575 VanDerWaalsContact CA-OE2 3.22Å; P2-E575 WeakPolarHBondContact CA-OE2 3.43Å; V3-E575 VanDerWaalsContact CA-OE1 3.31Å; V3-E575 WeakPolarHBondContact CA-OE1 3.31Å; V3-E575 WeakPolarHBondContact CG2-OE1 3.46Å; V3-E575 VanDerWaalsContact N-CD 3.32Å; V3-E575 PolarHBondContact N-OE1 3.2Å; V3-E575 PolarHBondContact N-OE2 3.15Å; R572-E575 WeakPolarHBondContact O-CB 3.28Å; R572-E575 VanDerWaalsContact O-CG 3.28Å; R572-E575 WeakPolarHBondContact O-CG 3.5Å; Y573-E575 PolarHBondContact O-N 3.12Å
576Y77.8Confident80Confident147 Ų14757.8 Ų57.858%0.57631%0.314SS*.SBendtrans-107.3102.1-174.1-59-89.1000110.4Y573 S574 A578 A579 V580Y573-Y576 PolarHBondContact O-N 3.07Å; S574-Y576 PolarHBondContact O-N 2.88Å; Y576-A578 PolarHBondContact O-N 2.84Å; Y576-A578 VanDerWaalsContact O-N 3.11Å; Y576-A579 WeakPolarHBondContact O-CA 3.39Å; Y576-A579 WeakPolarHBondContact O-CB 3.47Å; Y576-A579 PolarHBondContact O-N 3.27Å; Y576-V580 PolarHBondContact O-N 2.64Å; Y576-V580 VanDerWaalsContact O-N 3.08Å
577G76.5Confident80.3Confident22 Ų2259.6 Ų59.623%0.22733%0.325CS..Hα-helixtrans-55.4-33.9-175.800000114.9V580 L581G577-V580 PolarHBondContact O-N 3Å; G577-L581 PolarHBondContact O-N 3.4Å
578A79.1Confident80.9Confident82 Ų8257.9 Ų57.968%0.67831%0.306SS*.Hα-helixtrans-69.5-33173.900000113.1Y576 L581 F582Y576-A578 PolarHBondContact O-N 2.84Å; Y576-A578 VanDerWaalsContact O-N 3.11Å; A578-L581 PolarHBondContact O-N 3.36Å; A578-F582 PolarHBondContact O-N 2.98Å
579A81.6Confident81.5Confident15 Ų1556.7 Ų56.712%0.12431%0.311CS..Hα-helixtrans-71.5-32.8174.700000111.7W442 Y576 F582 L583W442-A579 HydrophobicContact CH2-CB 4.47Å; Y576-A579 WeakPolarHBondContact O-CA 3.39Å; Y576-A579 WeakPolarHBondContact O-CB 3.47Å; Y576-A579 PolarHBondContact O-N 3.27Å; A579-F582 PolarHBondContact O-N 3.04Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 VanDerWaalsContact O-CG 3.32Å; A579-L583 WeakPolarHBondContact O-CG 3.41Å; A579-L583 PolarHBondContact O-N 3.06Å
580V83.7Confident82.4Confident40 Ų4055.9 Ų55.924%0.24231%0.308CS..Hα-helixtrans-59.8-47.8170.4178.30000110.8Y576 G577 F582 L583 L584 I691Y576-V580 PolarHBondContact O-N 2.64Å; Y576-V580 VanDerWaalsContact O-N 3.08Å; G577-V580 PolarHBondContact O-N 3Å; V580-F582 PolarHBondContact O-N 3.42Å; V580-L583 PolarHBondContact O-N 3.46Å; V580-L584 VanDerWaalsContact O-CB 3.25Å; V580-L584 WeakPolarHBondContact O-CB 3.32Å; V580-L584 PolarHBondContact O-N 3.16Å; V580-I691 HydrophobicContact CB-CD1 4.41Å; V580-I691 HydrophobicContact CG1-CD1 4.29Å
581L83.4Confident83.2Confident58 Ų5854.3 Ų54.330%0.30430%0.299SS..Hα-helixtrans-61.6-44.6177.1-170151.3000111.6G577 A578 L584 M585 V688 I691G577-L581 PolarHBondContact O-N 3.4Å; A578-L581 PolarHBondContact O-N 3.36Å; L581-L584 PolarHBondContact O-N 3.02Å; L581-M585 HydrophobicContact CD2-CG 4.11Å; L581-M585 WeakPolarHBondContact O-CG 3.35Å; L581-M585 PolarHBondContact O-N 3.15Å; L581-V688 HydrophobicContact CD1-CG2 4.16Å; L581-V688 HydrophobicContact CG-CG2 4.44Å; L581-I691 HydrophobicContact CB-CD1 3.98Å; L581-I691 HydrophobicContact CD1-CG2 4.3Å
582F85.4Confident84.2Confident121 Ų12148 Ų4853%0.53127%0.266SS..Hα-helixtrans-61.5-47.2176.6177.5-97.4000112.5A578 A579 V580 L584 M585 C586A578-F582 PolarHBondContact O-N 2.98Å; A579-F582 PolarHBondContact O-N 3.04Å; V580-F582 PolarHBondContact O-N 3.42Å; F582-L584 VanDerWaalsContact C-N 3.33Å; F582-L584 PolarHBondContact O-N 3.11Å; F582-M585 PolarHBondContact O-N 3.37Å; F582-C586 VanDerWaalsContact O-CB 3.31Å; F582-C586 WeakPolarHBondContact O-CB 3.43Å; F582-C586 PolarHBondContact O-N 3.38Å
583L84.6Confident85.3Confident21 Ų2145.4 Ų45.411%0.1126%0.256CS..Hα-helixtrans-61.2-41.9176.5-76.8173.8000111.5L445 L570 Y573 A579 V580 C586 T587L445-L583 HydrophobicContact CD1-CD2 4.39Å; L445-L583 HydrophobicContact CD2-CD2 4.25Å; L570-L583 HydrophobicContact CD1-CD1 4.31Å; Y573-L583 HydrophobicContact CD2-CD1 3.99Å; Y573-L583 HydrophobicContact CG-CD1 4.01Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 VanDerWaalsContact O-CG 3.32Å; A579-L583 WeakPolarHBondContact O-CG 3.41Å; A579-L583 PolarHBondContact O-N 3.06Å; V580-L583 PolarHBondContact O-N 3.46Å; L583-C586 CarbonylContact O-C 3.59Å; L583-C586 WeakPolarHBondContact O-CB 3.38Å; L583-C586 PolarHBondContact O-N 2.95Å; L583-T587 PolarHBondContact O-N 3.4Å; L583-T587 PolarHBondContact O-OG1 3.41Å
584L86.4Confident86.4Confident32 Ų3249.1 Ų49.117%0.16827%0.27CS..Hα-helixtrans-65.7-43.5-179.4-174.558.3000112.2V580 L581 F582 C586 T587 F588 I684 N687V580-L584 VanDerWaalsContact O-CB 3.25Å; V580-L584 WeakPolarHBondContact O-CB 3.32Å; V580-L584 PolarHBondContact O-N 3.16Å; L581-L584 PolarHBondContact O-N 3.02Å; F582-L584 VanDerWaalsContact C-N 3.33Å; F582-L584 PolarHBondContact O-N 3.11Å; L584-C586 VanDerWaalsContact C-N 3.34Å; L584-T587 WeakPolarHBondContact CA-OG1 3.3Å; L584-T587 PolarHBondContact O-N 3.4Å; L584-T587 PolarHBondContact O-OG1 2.85Å; L584-F588 PolarHBondContact O-N 3.14Å; L584-I684 HydrophobicContact CD1-CG1 4.18Å; L584-I684 HydrophobicContact CD2-CG1 4.38Å; L584-I684 HydrophobicContact CG-CG1 4.04Å; L584-N687 HydrophobicContact CD2-CB 3.41Å; L584-N687 VanDerWaalsContact CD2-CB 3.41Å
585M88.6Confident87.5Confident81 Ų8147.2 Ų47.240%0.39926%0.255SS..Hα-helixtrans-65.9-35.6172.8-67.6-64.517600112.1L581 F582 F588 A589 I684 V688L581-M585 HydrophobicContact CD2-CG 4.11Å; L581-M585 WeakPolarHBondContact O-CG 3.35Å; L581-M585 PolarHBondContact O-N 3.15Å; F582-M585 PolarHBondContact O-N 3.37Å; M585-F588 PolarHBondContact O-N 2.85Å; M585-A589 PolarHBondContact O-N 3.37Å; M585-A589 VanDerWaalsContact O-N 3.15Å; M585-I684 HydrophobicContact CE-CG2 3.77Å; M585-I684 HydrophobicContact SD-CG2 4.29Å; M585-V688 HydrophobicContact CE-CG2 3.77Å
586C89.5Confident88.4Confident25 Ų2545.4 Ų45.417%0.16925%0.247CC..Hα-helixtrans-65-42.6172.6-172.10000111.6F582 L583 L584 F588 A589 L590F582-C586 VanDerWaalsContact O-CB 3.31Å; F582-C586 WeakPolarHBondContact O-CB 3.43Å; F582-C586 PolarHBondContact O-N 3.38Å; L583-C586 CarbonylContact O-C 3.59Å; L583-C586 WeakPolarHBondContact O-CB 3.38Å; L583-C586 PolarHBondContact O-N 2.95Å; L584-C586 VanDerWaalsContact C-N 3.34Å; C586-F588 VanDerWaalsContact C-N 3.35Å; C586-F588 PolarHBondContact O-N 2.84Å; C586-A589 PolarHBondContact O-N 3.46Å; C586-L590 WeakPolarHBondContact O-CB 3.42Å; C586-L590 VanDerWaalsContact O-CG 3.3Å; C586-L590 WeakPolarHBondContact O-CG 3.47Å; C586-L590 PolarHBondContact O-N 2.78Å
587T89.6Confident89.2Confident65 Ų6538.6 Ų38.640%0.39922%0.221SC..Hα-helixtrans-65.9-36.1176.447.50000112.5L583 L584 L590 I591L583-T587 PolarHBondContact O-N 3.4Å; L583-T587 PolarHBondContact O-OG1 3.41Å; L584-T587 WeakPolarHBondContact CA-OG1 3.3Å; L584-T587 PolarHBondContact O-N 3.4Å; L584-T587 PolarHBondContact O-OG1 2.85Å; T587-L590 PolarHBondContact O-N 3.41Å; T587-I591 WeakPolarHBondContact O-CB 3.31Å; T587-I591 WeakPolarHBondContact O-CD1 3.48Å; T587-I591 VanDerWaalsContact O-CG1 3.28Å; T587-I591 WeakPolarHBondContact O-CG1 3.33Å; T587-I591 PolarHBondContact O-N 3.08Å
588F91.8Very high90Very high28 Ų2841.4 Ų41.412%0.12323%0.23CC..Hα-helixtrans-58.7-49.8172.9178.4-111.7000111.6L584 M585 C586 L590 I591 A592 F648 L651 T652 M680 I684L584-F588 PolarHBondContact O-N 3.14Å; M585-F588 PolarHBondContact O-N 2.85Å; C586-F588 VanDerWaalsContact C-N 3.35Å; C586-F588 PolarHBondContact O-N 2.84Å; F588-L590 PolarHBondContact O-N 3.34Å; F588-I591 PolarHBondContact O-N 3.37Å; F588-A592 WeakPolarHBondContact O-CB 3.32Å; F588-A592 PolarHBondContact O-N 2.81Å; F588-F648 HydrophobicContact CD1-CE1 4.09Å; F588-F648 AromaticContact CE1-CD1 3.92Å; F588-F648 HydrophobicContact CE1-CD1 3.92Å; F588-F648 AromaticContact CE1-CE1 3.61Å; F588-F648 HydrophobicContact CE1-CE1 3.61Å; F588-F648 HydrophobicContact CZ-CD1 4.31Å; F588-F648 HydrophobicContact CZ-CE1 4.38Å; F588-L651 HydrophobicContact CE2-CB 4.01Å; F588-L651 HydrophobicContact CE2-CD2 4.15Å; F588-L651 HydrophobicContact CE2-CG 4.39Å; F588-L651 HydrophobicContact CZ-CB 4.22Å; F588-T652 HydrophobicContact CZ-CG2 3.89Å; F588-M680 HydrophobicContact CD2-CE 3.65Å; F588-M680 HydrophobicContact CD2-CG 4.08Å; F588-M680 HydrophobicContact CD2-SD 3.8Å; F588-M680 HydrophobicContact CE2-CE 3.97Å; F588-I684 HydrophobicContact CB-CD1 3.73Å; F588-I684 HydrophobicContact CD2-CD1 3.3Å; F588-I684 HydrophobicContact CE2-CD1 4.05Å; F588-I684 HydrophobicContact CG-CD1 3.65Å
589A92.9Very high90.8Very high43 Ų4337.5 Ų37.536%0.35520%0.197SC..Hα-helixtrans-65.4-37.6178.200000113M585 C586 H593 F648M585-A589 PolarHBondContact O-N 3.37Å; M585-A589 VanDerWaalsContact O-N 3.15Å; C586-A589 PolarHBondContact O-N 3.46Å; A589-H593 WeakPolarHBondContact O-CB 3.35Å; A589-H593 PolarHBondContact O-N 3.06Å; A589-F648 HydrophobicContact CB-CZ 4.26Å
590L93.8Very high91.3Very high12 Ų1237.3 Ų37.36%0.06319%0.194CC..Hα-helixtrans-65.3-42.4175-74.1170.1000112.1A452 I453 C586 T587 F588 H593 W594A452-L590 HydrophobicContact CB-CD1 4.44Å; A452-L590 HydrophobicContact CB-CD2 3.84Å; I453-L590 HydrophobicContact CD1-CD2 4.37Å; I453-L590 HydrophobicContact CG1-CD2 3.6Å; C586-L590 WeakPolarHBondContact O-CB 3.42Å; C586-L590 VanDerWaalsContact O-CG 3.3Å; C586-L590 WeakPolarHBondContact O-CG 3.47Å; C586-L590 PolarHBondContact O-N 2.78Å; T587-L590 PolarHBondContact O-N 3.41Å; F588-L590 PolarHBondContact O-N 3.34Å; L590-H593 WeakPolarHBondContact O-CB 3.35Å; L590-H593 PolarHBondContact O-N 2.87Å; L590-W594 VanDerWaalsContact O-CD1 3.24Å; L590-W594 VanDerWaalsContact O-CG 3.23Å; L590-W594 PolarHBondContact O-N 3.04Å
591I94.3Very high91.6Very high52 Ų5237.3 Ų37.327%0.26720%0.198SC..Hα-helixtrans-66.6-42.8177.4-69.5164.1000110.4T587 F588 H593 W594 L595 M680T587-I591 WeakPolarHBondContact O-CB 3.31Å; T587-I591 WeakPolarHBondContact O-CD1 3.48Å; T587-I591 VanDerWaalsContact O-CG1 3.28Å; T587-I591 WeakPolarHBondContact O-CG1 3.33Å; T587-I591 PolarHBondContact O-N 3.08Å; F588-I591 PolarHBondContact O-N 3.37Å; I591-H593 VanDerWaalsContact C-N 3.31Å; I591-H593 PolarHBondContact O-N 3.45Å; I591-W594 PolarHBondContact O-N 3.49Å; I591-L595 HydrophobicContact CG2-CD1 3.83Å; I591-L595 HydrophobicContact CG2-CG 4.42Å; I591-L595 WeakPolarHBondContact O-CB 3.2Å; I591-L595 VanDerWaalsContact O-CG 3.27Å; I591-L595 WeakPolarHBondContact O-CG 3.4Å; I591-L595 PolarHBondContact O-N 2.78Å; I591-M680 HydrophobicContact CB-CE 4.13Å; I591-M680 HydrophobicContact CB-SD 4.09Å; I591-M680 HydrophobicContact CD1-SD 3.54Å; I591-M680 VanDerWaalsContact CD1-SD 3.54Å; I591-M680 HydrophobicContact CG1-SD 4.41Å; I591-M680 HydrophobicContact CG2-CE 3.65Å; I591-M680 HydrophobicContact CG2-SD 4.08Å
592A95.3Very high92Very high0 Ų036.2 Ų36.20%019%0.192CC..Hα-helixtrans-58.3-42.1173.600000112.4F588 A596 T647 F648 L651F588-A592 WeakPolarHBondContact O-CB 3.32Å; F588-A592 PolarHBondContact O-N 2.81Å; A592-A596 WeakPolarHBondContact O-CB 3.34Å; A592-A596 PolarHBondContact O-N 3.29Å; A592-T647 PolarHBondContact O-OG1 3.34Å; A592-F648 HydrophobicContact CB-CD1 4.29Å; A592-F648 HydrophobicContact CB-CD2 3.7Å; A592-F648 HydrophobicContact CB-CE1 4.07Å; A592-F648 HydrophobicContact CB-CE2 3.45Å; A592-F648 VanDerWaalsContact CB-CE2 3.45Å; A592-F648 HydrophobicContact CB-CG 4.13Å; A592-F648 HydrophobicContact CB-CZ 3.66Å; A592-L651 HydrophobicContact CB-CD2 3.6Å
593H95.8Very high92.1Very high7 Ų730.6 Ų30.63%0.03217%0.168CC..Hα-helixtrans-65.1-45.1176174.760.9000113.2I453 A589 L590 I591 A596 C597 Y640I453-H593 PolarHBondContact O-NE2 3.5Å; A589-H593 WeakPolarHBondContact O-CB 3.35Å; A589-H593 PolarHBondContact O-N 3.06Å; L590-H593 WeakPolarHBondContact O-CB 3.35Å; L590-H593 PolarHBondContact O-N 2.87Å; I591-H593 VanDerWaalsContact C-N 3.31Å; I591-H593 PolarHBondContact O-N 3.45Å; H593-A596 WeakPolarHBondContact O-CB 3.46Å; H593-A596 PolarHBondContact O-N 2.94Å; H593-C597 VanDerWaalsContact CE1-SG 3.54Å; H593-C597 PolarHBondContact O-N 2.79Å; H593-C597 PolarHBondContact O-SG 3.42Å; H593-Y640 AromaticContact CE1-CE2 3.67Å; H593-Y640 AromaticContact ND1-CE2 3.55Å; H593-Y640 AromaticContact ND1-CZ 3.83Å; H593-Y640 PolarHBondContact ND1-OH 3.47Å
594W95.7Very high92.1Very high84 Ų8430.5 Ų30.532%0.31817%0.169SC..Hα-helixtrans-64.3-43.4177.6-64.2-5.3000111.6A452 L563 L590 I591 A596 C597 I598A452-W594 HydrophobicContact CB-CZ2 4.43Å; A452-W594 PolarHBondContact O-NE1 3.41Å; L563-W594 HydrophobicContact CD1-CH2 3.71Å; L563-W594 HydrophobicContact CD1-CZ2 3.52Å; L590-W594 VanDerWaalsContact O-CD1 3.24Å; L590-W594 VanDerWaalsContact O-CG 3.23Å; L590-W594 PolarHBondContact O-N 3.04Å; I591-W594 PolarHBondContact O-N 3.49Å; W594-A596 VanDerWaalsContact C-N 3.27Å; W594-A596 PolarHBondContact O-N 2.9Å; W594-C597 PolarHBondContact O-N 3.21Å; W594-I598 WeakPolarHBondContact O-CG1 3.41Å; W594-I598 PolarHBondContact O-N 2.95Å
595L95.6Very high92.1Very high18 Ų1834.9 Ų34.99%0.09420%0.197CC..Hα-helixtrans-63.2-35.1174.4-66.2170.7000111.2I591 I598 W599 T647 L651 F669 V673I591-L595 HydrophobicContact CG2-CD1 3.83Å; I591-L595 HydrophobicContact CG2-CG 4.42Å; I591-L595 WeakPolarHBondContact O-CB 3.2Å; I591-L595 VanDerWaalsContact O-CG 3.27Å; I591-L595 WeakPolarHBondContact O-CG 3.4Å; I591-L595 PolarHBondContact O-N 2.78Å; L595-I598 PolarHBondContact O-N 3.4Å; L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.33Å; L595-W599 PolarHBondContact O-N 3.13Å; L595-T647 HydrophobicContact CB-CG2 3.92Å; L595-L651 HydrophobicContact CD1-CD1 3.76Å; L595-L651 HydrophobicContact CD1-CD2 4.41Å; L595-F669 HydrophobicContact CB-CZ 4.15Å; L595-F669 HydrophobicContact CD2-CE2 4.01Å; L595-F669 HydrophobicContact CD2-CZ 3.97Å; L595-F669 WeakPolarHBondContact O-CZ 3.38Å; L595-V673 HydrophobicContact CD1-CG2 4.29Å; L595-V673 HydrophobicContact CD2-CG2 4.14Å
596A95.7Very high91.9Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-66-39.3174.300000112.3A592 H593 W594 W599 Y600 A643 L644 T647A592-A596 WeakPolarHBondContact O-CB 3.34Å; A592-A596 PolarHBondContact O-N 3.29Å; H593-A596 WeakPolarHBondContact O-CB 3.46Å; H593-A596 PolarHBondContact O-N 2.94Å; W594-A596 VanDerWaalsContact C-N 3.27Å; W594-A596 PolarHBondContact O-N 2.9Å; A596-W599 PolarHBondContact O-N 2.84Å; A596-Y600 PolarHBondContact O-N 2.91Å; A596-A643 HydrophobicContact CB-CB 4.17Å; A596-L644 HydrophobicContact CB-CB 4.1Å; A596-T647 HydrophobicContact CB-CG2 4.31Å
597C94Very high91.2Very high5 Ų538.1 Ų38.13%0.03420%0.204CC..Hα-helixtrans-64.8-40.3174.1-62.80000111.6P456 A460 H593 W594 Y600 A601P456-C597 HydrophobicContact CB-CB 4.19Å; A460-C597 HydrophobicContact CB-CB 3.92Å; H593-C597 VanDerWaalsContact CE1-SG 3.54Å; H593-C597 PolarHBondContact O-N 2.79Å; H593-C597 PolarHBondContact O-SG 3.42Å; W594-C597 PolarHBondContact O-N 3.21Å; C597-Y600 PolarHBondContact O-N 3.48Å; C597-A601 PolarHBondContact O-N 2.7Å
598I93.8Very high90.2Very high81 Ų8142.2 Ų42.242%0.41522%0.223SC..Hα-helixtrans-68.4-41.8176.1-64.2161.7000111.1W594 L595 Y600 A601 I602 F669W594-I598 WeakPolarHBondContact O-CG1 3.41Å; W594-I598 PolarHBondContact O-N 2.95Å; L595-I598 PolarHBondContact O-N 3.4Å; I598-Y600 VanDerWaalsContact C-N 3.3Å; I598-Y600 PolarHBondContact O-N 2.74Å; I598-A601 WeakPolarHBondContact O-CB 3.29Å; I598-A601 PolarHBondContact O-N 2.68Å; I598-A601 VanDerWaalsContact O-N 3.11Å; I598-I602 HydrophobicContact CG2-CD1 4.06Å; I598-I602 HydrophobicContact CG2-CG1 4.49Å; I598-I602 WeakPolarHBondContact O-CG1 3.48Å; I598-I602 PolarHBondContact O-N 3.24Å; I598-F669 HydrophobicContact CB-CE2 4.01Å; I598-F669 HydrophobicContact CB-CZ 4.24Å; I598-F669 HydrophobicContact CG2-CD2 4.05Å; I598-F669 HydrophobicContact CG2-CE2 3.46Å; I598-F669 VanDerWaalsContact CG2-CE2 3.46Å; I598-F669 HydrophobicContact CG2-CZ 4.1Å
599W95.1Very high89.1Confident0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-59.5-39.5175.3-179.3-112.4000112.5L595 A596 G603 W613 F646 T647 V659 P661 E666 F669L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.33Å; L595-W599 PolarHBondContact O-N 3.13Å; A596-W599 PolarHBondContact O-N 2.84Å; W599-G603 PolarHBondContact O-N 3.24Å; W599-G603 VanDerWaalsContact O-N 3.13Å; W599-W613 AromaticContact CD1-CE2 3.51Å; W599-W613 AromaticContact CD1-CH2 3.98Å; W599-W613 AromaticContact CD1-CZ2 3.43Å; W599-W613 VanDerWaalsContact CD1-CZ2 3.43Å; W599-W613 AromaticContact CD1-NE1 3.79Å; W599-W613 AromaticContact CD2-NE1 3.83Å; W599-W613 AromaticContact CE2-CD1 3.49Å; W599-W613 VanDerWaalsContact CE2-CD1 3.49Å; W599-W613 AromaticContact CE2-CD2 3.77Å; W599-W613 AromaticContact CE2-CE2 3.7Å; W599-W613 AromaticContact CE2-CG 3.68Å; W599-W613 AromaticContact CE2-NE1 3.49Å; W599-W613 HydrophobicContact CG-CZ2 4.31Å; W599-W613 HydrophobicContact CH2-CB 4.4Å; W599-W613 AromaticContact CH2-CD1 3.98Å; W599-W613 HydrophobicContact CH2-CG 4.28Å; W599-W613 HydrophobicContact CZ2-CB 3.72Å; W599-W613 AromaticContact CZ2-CD1 3.43Å; W599-W613 VanDerWaalsContact CZ2-CD1 3.43Å; W599-W613 AromaticContact CZ2-CD2 3.99Å; W599-W613 HydrophobicContact CZ2-CD2 3.99Å; W599-W613 AromaticContact CZ2-CG 3.44Å; W599-W613 HydrophobicContact CZ2-CG 3.44Å; W599-W613 VanDerWaalsContact CZ2-CG 3.44Å; W599-W613 AromaticContact CZ2-NE1 3.94Å; W599-W613 AromaticContact NE1-CD1 3.8Å; W599-W613 AromaticContact NE1-CD2 3.31Å; W599-W613 VanDerWaalsContact NE1-CD2 3.31Å; W599-W613 AromaticContact NE1-CE2 3.15Å; W599-W613 AromaticContact NE1-CE3 3.76Å; W599-W613 AromaticContact NE1-CG 3.76Å; W599-W613 AromaticContact NE1-CH2 3.94Å; W599-W613 AromaticContact NE1-CZ2 3.5Å; W599-W613 AromaticContact NE1-NE1 3.44Å; W599-W613 PolarHBondContact O-NE1 3.03Å; W599-W613 VanDerWaalsContact O-NE1 3.11Å; W599-F646 AromaticContact CD1-CD1 3.83Å; W599-F646 AromaticContact CD2-CD1 3.65Å; W599-F646 HydrophobicContact CD2-CD1 3.65Å; W599-F646 AromaticContact CD2-CE1 3.56Å; W599-F646 HydrophobicContact CD2-CE1 3.56Å; W599-F646 AromaticContact CE2-CD1 3.41Å; W599-F646 VanDerWaalsContact CE2-CD1 3.41Å; W599-F646 AromaticContact CE2-CE1 3.51Å; W599-F646 HydrophobicContact CE3-CD1 4.29Å; W599-F646 AromaticContact CE3-CE1 3.73Å; W599-F646 HydrophobicContact CE3-CE1 3.73Å; W599-F646 AromaticContact CG-CD1 3.89Å; W599-F646 HydrophobicContact CG-CD1 3.89Å; W599-F646 HydrophobicContact CG-CE1 4.22Å; W599-F646 HydrophobicContact CH2-CD1 4.45Å; W599-F646 AromaticContact CH2-CE1 3.76Å; W599-F646 HydrophobicContact CH2-CE1 3.76Å; W599-F646 AromaticContact CH2-CZ 3.81Å; W599-F646 HydrophobicContact CH2-CZ 3.81Å; W599-F646 AromaticContact CZ2-CD1 3.86Å; W599-F646 HydrophobicContact CZ2-CD1 3.86Å; W599-F646 HydrophobicContact CZ2-CD2 4.5Å; W599-F646 AromaticContact CZ2-CE1 3.63Å; W599-F646 HydrophobicContact CZ2-CE1 3.63Å; W599-F646 HydrophobicContact CZ2-CE2 4.3Å; W599-F646 HydrophobicContact CZ2-CG 4.3Å; W599-F646 AromaticContact CZ2-CZ 3.87Å; W599-F646 HydrophobicContact CZ2-CZ 3.87Å; W599-F646 AromaticContact CZ3-CE1 3.8Å; W599-F646 HydrophobicContact CZ3-CE1 3.8Å; W599-F646 HydrophobicContact CZ3-CZ 4.14Å; W599-F646 AromaticContact NE1-CD1 3.54Å; W599-F646 AromaticContact NE1-CG 3.96Å; W599-T647 HydrophobicContact CB-CG2 4.45Å; W599-V659 HydrophobicContact CZ2-CG1 4.25Å; W599-P661 HydrophobicContact CH2-CB 4.02Å; W599-E666 HydrophobicContact CH2-CB 3.81Å; W599-E666 HydrophobicContact CH2-CG 3.84Å; W599-E666 HydrophobicContact CZ3-CB 3.73Å; W599-E666 HydrophobicContact CZ3-CG 3.82Å; W599-F669 HydrophobicContact CB-CE1 3.88Å; W599-F669 HydrophobicContact CB-CZ 4.28Å; W599-F669 HydrophobicContact CD2-CD1 4.41Å; W599-F669 HydrophobicContact CD2-CE1 4.25Å; W599-F669 AromaticContact CE3-CD1 3.38Å; W599-F669 HydrophobicContact CE3-CD1 3.38Å; W599-F669 AromaticContact CE3-CE1 3.63Å; W599-F669 HydrophobicContact CE3-CE1 3.63Å; W599-F669 HydrophobicContact CE3-CG 4.4Å; W599-F669 HydrophobicContact CG-CE1 4.4Å; W599-F669 AromaticContact CZ3-CD1 3.87Å; W599-F669 HydrophobicContact CZ3-CD1 3.87Å; W599-F669 HydrophobicContact CZ3-CE1 4.49Å
600Y92.5Very high88.1Confident11 Ų1144.9 Ų44.94%0.04325%0.249CC..Hα-helixtrans-68.6-41171-177.7-105.1000112.9A460 F461 A596 C597 I598 I602 G603 S604 W613 L614 K639A460-Y600 HydrophobicContact CB-CD1 4.46Å; A460-Y600 WeakPolarHBondContact O-CD1 3.25Å; A460-Y600 VanDerWaalsContact O-CE1 3.3Å; A460-Y600 WeakPolarHBondContact O-CE1 3.24Å; F461-Y600 AromaticContact CD1-CD1 3.54Å; F461-Y600 HydrophobicContact CD1-CD1 3.54Å; F461-Y600 HydrophobicContact CD1-CD2 4.31Å; F461-Y600 AromaticContact CD1-CE1 3.55Å; F461-Y600 HydrophobicContact CD1-CE1 3.55Å; F461-Y600 HydrophobicContact CD1-CE2 4.32Å; F461-Y600 AromaticContact CD1-CG 3.94Å; F461-Y600 HydrophobicContact CD1-CG 3.94Å; F461-Y600 AromaticContact CD1-CZ 3.95Å; F461-Y600 HydrophobicContact CD2-CD1 4.27Å; F461-Y600 AromaticContact CE1-CD1 3.42Å; F461-Y600 HydrophobicContact CE1-CD1 3.42Å; F461-Y600 VanDerWaalsContact CE1-CD1 3.42Å; F461-Y600 AromaticContact CE1-CD2 3.62Å; F461-Y600 HydrophobicContact CE1-CD2 3.62Å; F461-Y600 AromaticContact CE1-CE1 3.82Å; F461-Y600 HydrophobicContact CE1-CE1 3.82Å; F461-Y600 HydrophobicContact CE1-CE2 4.01Å; F461-Y600 AromaticContact CE1-CG 3.3Å; F461-Y600 HydrophobicContact CE1-CG 3.3Å; F461-Y600 HydrophobicContact CE2-CD1 4.15Å; F461-Y600 HydrophobicContact CE2-CG 4.29Å; F461-Y600 AromaticContact CG-CD1 3.98Å; F461-Y600 HydrophobicContact CG-CD1 3.98Å; F461-Y600 HydrophobicContact CG-CE1 4.1Å; F461-Y600 VanDerWaalsContact CZ-CB 3.49Å; F461-Y600 AromaticContact CZ-CD1 3.74Å; F461-Y600 HydrophobicContact CZ-CD1 3.74Å; F461-Y600 HydrophobicContact CZ-CD2 4.17Å; F461-Y600 AromaticContact CZ-CG 3.5Å; F461-Y600 HydrophobicContact CZ-CG 3.5Å; A596-Y600 PolarHBondContact O-N 2.91Å; C597-Y600 PolarHBondContact O-N 3.48Å; I598-Y600 VanDerWaalsContact C-N 3.3Å; I598-Y600 PolarHBondContact O-N 2.74Å; Y600-I602 VanDerWaalsContact C-N 3.34Å; Y600-I602 PolarHBondContact O-N 2.89Å; Y600-G603 PolarHBondContact O-N 3.45Å; Y600-S604 VanDerWaalsContact O-CB 3.29Å; Y600-S604 WeakPolarHBondContact O-CB 3.38Å; Y600-S604 PolarHBondContact O-N 3.15Å; Y600-W613 HydrophobicContact CD2-CZ2 4.37Å; Y600-L614 HydrophobicContact CE2-CD2 4.49Å; Y600-K639 HydrophobicContact CD2-CB 4.2Å; Y600-K639 HydrophobicContact CE2-CB 3.9Å; Y600-K639 HydrophobicContact CE2-CD 3.78Å; Y600-K639 HydrophobicContact CE2-CG 3.95Å
601A89.7Confident87.6Confident40 Ų4049.7 Ų49.733%0.33127%0.274SS..Hα-helixtrans-59.5-43.9176.100000111.9C597 I598 S604 V605C597-A601 PolarHBondContact O-N 2.7Å; I598-A601 WeakPolarHBondContact O-CB 3.29Å; I598-A601 PolarHBondContact O-N 2.68Å; I598-A601 VanDerWaalsContact O-N 3.11Å; A601-S604 PolarHBondContact O-N 3.46Å; A601-V605 WeakPolarHBondContact O-CG2 3.32Å; A601-V605 PolarHBondContact O-N 3.4Å
602I91.1Very high87.3Confident34 Ų3447.6 Ų47.617%0.17426%0.264CS..Hα-helixtrans-58.6-55.1174.3-65.8164.2000110.2I598 Y600 S604 V605 E606 E666 F669I598-I602 HydrophobicContact CG2-CD1 4.06Å; I598-I602 HydrophobicContact CG2-CG1 4.49Å; I598-I602 WeakPolarHBondContact O-CG1 3.48Å; I598-I602 PolarHBondContact O-N 3.24Å; Y600-I602 VanDerWaalsContact C-N 3.34Å; Y600-I602 PolarHBondContact O-N 2.89Å; I602-S604 PolarHBondContact O-N 2.99Å; I602-V605 PolarHBondContact O-N 3.49Å; I602-V605 VanDerWaalsContact O-N 3.11Å; I602-E606 PolarHBondContact O-N 3.36Å; I602-E666 HydrophobicContact CG2-CG 4.22Å; I602-F669 HydrophobicContact CD1-CB 3.84Å; I602-F669 HydrophobicContact CD1-CD1 4.29Å; I602-F669 HydrophobicContact CD1-CD2 3.73Å; I602-F669 HydrophobicContact CD1-CE2 4.36Å; I602-F669 HydrophobicContact CD1-CG 3.68Å
603G88.9Confident87.1Confident3 Ų347.8 Ų47.83%0.03127%0.265CS..Hα-helixtrans-64.5-22.4-179.600000114.7W599 Y600 L614W599-G603 PolarHBondContact O-N 3.24Å; W599-G603 VanDerWaalsContact O-N 3.13Å; Y600-G603 PolarHBondContact O-N 3.45Å; G603-L614 WeakPolarHBondContact O-CD2 3.45Å
604S84.9Confident86.8Confident19 Ų1947.7 Ų47.713%0.13327%0.265CS..Hα-helixtrans-86.2-23.4174.9-1700000113.4N464 Y600 A601 I602 R607N464-S604 PolarHBondContact ND2-OG 3.46Å; Y600-S604 VanDerWaalsContact O-CB 3.29Å; Y600-S604 WeakPolarHBondContact O-CB 3.38Å; Y600-S604 PolarHBondContact O-N 3.15Å; A601-S604 PolarHBondContact O-N 3.46Å; I602-S604 PolarHBondContact O-N 2.99Å; S604-R607 WeakPolarHBondContact O-CB 3.47Å
605V84.4Confident86.4Confident124 Ų12446.4 Ų46.475%0.75226%0.262SS*.Hα-helixtrans-82.2-39.7172.1169.40000110.6A601 I602 R607A601-V605 WeakPolarHBondContact O-CG2 3.32Å; A601-V605 PolarHBondContact O-N 3.4Å; I602-V605 PolarHBondContact O-N 3.49Å; I602-V605 VanDerWaalsContact O-N 3.11Å; V605-R607 PolarHBondContact O-N 2.9Å
606E85.3Confident86.1Confident64 Ų6447.9 Ų47.930%0.29927%0.272SS..G310 helixtrans-8113.3175.8-61.9-165.6160.500113.6I602 N608 G609 T663 S665I602-E606 PolarHBondContact O-N 3.36Å; E606-N608 PolarHBondContact O-N 3.2Å; E606-G609 PolarHBondContact O-N 3.4Å; E606-T663 VanDerWaalsContact OE2-CB 3.23Å; E606-T663 WeakPolarHBondContact OE2-CB 3.49Å; E606-T663 VanDerWaalsContact OE2-CG2 3.27Å; E606-T663 WeakPolarHBondContact OE2-CG2 3.33Å; E606-T663 PolarHBondContact OE2-OG1 3.24Å; E606-S665 WeakPolarHBondContact OE1-CB 3.4Å; E606-S665 PolarHBondContact OE1-OG 2.99Å; E606-S665 PolarHBondContact OE2-OG 3.27Å; E606-S665 VanDerWaalsContact OE2-OG 3.07Å
607R73.9Confident85.8Confident111 Ų11148.1 Ų48.142%0.41927%0.273SS..G310 helixtrans-55.6-26.6-174.2-178172.1177.7166.8-1.6114.5S604 V605 G609 F625S604-R607 WeakPolarHBondContact O-CB 3.47Å; V605-R607 PolarHBondContact O-N 2.9Å; R607-G609 PolarHBondContact O-N 2.94Å; R607-F625 VanDerWaalsContact NH2-CD1 3.33Å
608N69.1Low85.5Confident150 Ų15047.9 Ų47.980%0.80227%0.272SS*.G310 helixtrans-76.7-7.7178.5-60.715.9000112.9E606E606-N608 PolarHBondContact O-N 3.2Å
609G70Confident85.2Confident38 Ų3847.2 Ų47.239%0.39227%0.269SS..  trans-96.3117174.600000112E606 R607 I611 G612E606-G609 PolarHBondContact O-N 3.4Å; R607-G609 PolarHBondContact O-N 2.94Å; G609-I611 PolarHBondContact O-N 3.32Å; G609-G612 PolarHBondContact O-N 2.98Å
610S70.7Confident84.8Confident90 Ų9052.6 Ų52.663%0.62929%0.294SS*.THydrogen-bonded Turntrans-66.312.9-179.855.40000116
611I82.8Confident84.6Confident113 Ų11355.4 Ų55.458%0.57931%0.309SS*.THydrogen-bonded Turntrans-120.3-18-171.1-56.8173.3000111.6G609 N662G609-I611 PolarHBondContact O-N 3.32Å; I611-N662 HydrophobicContact CG2-CB 4.1Å; I611-N662 VanDerWaalsContact O-CB 3.26Å; I611-N662 WeakPolarHBondContact O-CB 3.28Å; I611-N662 PolarHBondContact O-ND2 3.38Å
612G88.7Confident84.3Confident7 Ų756.1 Ų56.17%0.07232%0.321CS..SBendtrans-67.4156.6-17700000114G609 L614 H615 T616 E666G609-G612 PolarHBondContact O-N 2.98Å; G612-L614 PolarHBondContact O-N 2.93Å; G612-H615 WeakPolarHBondContact O-CB 3.49Å; G612-H615 PolarHBondContact O-N 3.5Å; G612-T616 PolarHBondContact O-N 2.92Å; G612-E666 VanDerWaalsContact CA-OE1 3.31Å; G612-E666 WeakPolarHBondContact CA-OE1 3.44Å
613W91.1Very high84.1Confident5 Ų558.6 Ų58.62%0.01933%0.33CS..Hα-helixtrans-53.5-33.2-173.680.2-97000113.4W599 Y600 T616 L617 T642 A643 V659 E666W599-W613 AromaticContact CD1-CE2 3.51Å; W599-W613 AromaticContact CD1-CH2 3.98Å; W599-W613 AromaticContact CD1-CZ2 3.43Å; W599-W613 VanDerWaalsContact CD1-CZ2 3.43Å; W599-W613 AromaticContact CD1-NE1 3.79Å; W599-W613 AromaticContact CD2-NE1 3.83Å; W599-W613 AromaticContact CE2-CD1 3.49Å; W599-W613 VanDerWaalsContact CE2-CD1 3.49Å; W599-W613 AromaticContact CE2-CD2 3.77Å; W599-W613 AromaticContact CE2-CE2 3.7Å; W599-W613 AromaticContact CE2-CG 3.68Å; W599-W613 AromaticContact CE2-NE1 3.49Å; W599-W613 HydrophobicContact CG-CZ2 4.31Å; W599-W613 HydrophobicContact CH2-CB 4.4Å; W599-W613 AromaticContact CH2-CD1 3.98Å; W599-W613 HydrophobicContact CH2-CG 4.28Å; W599-W613 HydrophobicContact CZ2-CB 3.72Å; W599-W613 AromaticContact CZ2-CD1 3.43Å; W599-W613 VanDerWaalsContact CZ2-CD1 3.43Å; W599-W613 AromaticContact CZ2-CD2 3.99Å; W599-W613 HydrophobicContact CZ2-CD2 3.99Å; W599-W613 AromaticContact CZ2-CG 3.44Å; W599-W613 HydrophobicContact CZ2-CG 3.44Å; W599-W613 VanDerWaalsContact CZ2-CG 3.44Å; W599-W613 AromaticContact CZ2-NE1 3.94Å; W599-W613 AromaticContact NE1-CD1 3.8Å; W599-W613 AromaticContact NE1-CD2 3.31Å; W599-W613 VanDerWaalsContact NE1-CD2 3.31Å; W599-W613 AromaticContact NE1-CE2 3.15Å; W599-W613 AromaticContact NE1-CE3 3.76Å; W599-W613 AromaticContact NE1-CG 3.76Å; W599-W613 AromaticContact NE1-CH2 3.94Å; W599-W613 AromaticContact NE1-CZ2 3.5Å; W599-W613 AromaticContact NE1-NE1 3.44Å; W599-W613 PolarHBondContact O-NE1 3.03Å; W599-W613 VanDerWaalsContact O-NE1 3.11Å; Y600-W613 HydrophobicContact CD2-CZ2 4.37Å; W613-T616 PolarHBondContact O-N 3.5Å; W613-L617 HydrophobicContact CZ3-CD2 3.99Å; W613-L617 PolarHBondContact O-N 2.99Å; W613-T642 HydrophobicContact CE3-CG2 4.49Å; W613-T642 HydrophobicContact CZ3-CG2 3.81Å; W613-A643 HydrophobicContact CH2-CB 4Å; W613-A643 HydrophobicContact CZ2-CB 4.36Å; W613-V659 HydrophobicContact CB-CG1 4.42Å; W613-V659 HydrophobicContact CE3-CG1 4.01Å; W613-E666 VanDerWaalsContact CD1-OE1 3.23Å; W613-E666 PolarHBondContact N-OE1 2.83Å
614L89.2Confident83.6Confident5 Ų563.7 Ų63.73%0.02635%0.353CS..Hα-helixtrans-68.4-34.5-179.3-177.759.7000112.2Y600 G603 G612 G618 F625 P634 K639Y600-L614 HydrophobicContact CE2-CD2 4.49Å; G603-L614 WeakPolarHBondContact O-CD2 3.45Å; G612-L614 PolarHBondContact O-N 2.93Å; L614-G618 PolarHBondContact O-N 2.78Å; L614-F625 HydrophobicContact CD1-CE2 4.49Å; L614-F625 HydrophobicContact CD1-CZ 4.09Å; L614-F625 HydrophobicContact CD2-CZ 4.03Å; L614-F625 HydrophobicContact CG-CE2 3.9Å; L614-F625 HydrophobicContact CG-CZ 3.72Å; L614-F625 WeakPolarHBondContact O-CE2 3.41Å; L614-P634 HydrophobicContact CD1-CG 4.36Å; L614-K639 HydrophobicContact CD1-CG 3.99Å
615H88Confident83.3Confident57 Ų5764.9 Ų64.926%0.26436%0.356SS..Hα-helixtrans-67.8-49.1173.8-166.2-63.1000110.2G612 L617 G618 D619G612-H615 WeakPolarHBondContact O-CB 3.49Å; G612-H615 PolarHBondContact O-N 3.5Å; H615-L617 PolarHBondContact O-N 3.36Å; H615-G618 WeakPolarHBondContact O-CA 3.3Å; H615-G618 PolarHBondContact O-N 3.19Å; H615-D619 IonicContact CE1-OD1 3.35Å; H615-D619 PolarHBondContact CE1-OD1 3.21Å; H615-D619 IonicContact CE1-OD2 3.42Å; H615-D619 PolarHBondContact CE1-OD2 3.41Å; H615-D619 IonicContact CG-OD2 3.99Å; H615-D619 IonicContact ND1-OD1 3.42Å; H615-D619 PolarHBondContact ND1-OD1 3.21Å; H615-D619 IonicContact ND1-OD2 2.78Å; H615-D619 PolarHBondContact ND1-OD2 2.95Å; H615-D619 PolarHBondContact O-N 3.3Å; H615-D619 VanDerWaalsContact O-OD2 3.08Å
616T88.6Confident82.9Confident48 Ų4862.8 Ų62.829%0.29434%0.341SS..Hα-helixtrans-56.4-36.5176.9-48.20000112.1G612 W613 D619 Q620G612-T616 PolarHBondContact O-N 2.92Å; W613-T616 PolarHBondContact O-N 3.5Å; T616-D619 PolarHBondContact O-N 2.82Å; T616-Q620 WeakPolarHBondContact O-CB 3.49Å; T616-Q620 VanDerWaalsContact O-CG 3.3Å; T616-Q620 WeakPolarHBondContact O-CG 3.35Å; T616-Q620 PolarHBondContact O-N 2.96Å
617L90.1Very high82.1Confident6 Ų668.7 Ų68.73%0.03137%0.368CS..Hα-helixtrans-65.1-41.6172.1-179.866000112.5W613 H615 D619 Q620 L621 P634 T642W613-L617 HydrophobicContact CZ3-CD2 3.99Å; W613-L617 PolarHBondContact O-N 2.99Å; H615-L617 PolarHBondContact O-N 3.36Å; L617-D619 VanDerWaalsContact C-N 3.29Å; L617-D619 PolarHBondContact O-N 3.46Å; L617-Q620 PolarHBondContact O-N 3.34Å; L617-L621 HydrophobicContact CD1-CD1 3.66Å; L617-L621 HydrophobicContact CD1-CD2 4.47Å; L617-L621 HydrophobicContact CG-CD1 4.44Å; L617-L621 PolarHBondContact O-N 2.9Å; L617-P634 HydrophobicContact CD2-CG 4.29Å; L617-T642 HydrophobicContact CD1-CG2 3.84Å; L617-T642 HydrophobicContact CD2-CG2 3.96Å; L617-T642 HydrophobicContact CG-CG2 4.44Å
618G87.6Confident82Confident0 Ų067.9 Ų67.90%038%0.379CS..Hα-helixtrans-57.5-44.1174.200000111.6L614 H615 L621 G622 K623L614-G618 PolarHBondContact O-N 2.78Å; H615-G618 WeakPolarHBondContact O-CA 3.3Å; H615-G618 PolarHBondContact O-N 3.19Å; G618-L621 PolarHBondContact O-N 3.18Å; G618-G622 PolarHBondContact O-N 3.42Å; G618-G622 VanDerWaalsContact O-N 3.15Å; G618-K623 WeakPolarHBondContact CA-O 3.33Å; G618-K623 CarbonylContact O-C 3.36Å; G618-K623 PolarHBondContact O-N 2.92Å
619D87.4Confident82.1Confident67 Ų6764.2 Ų64.236%0.35836%0.362SS..Hα-helixtrans-65.6-46.8177.4-53.2-43.1000112H615 T616 L617 L621 G622 H624H615-D619 IonicContact CE1-OD1 3.35Å; H615-D619 PolarHBondContact CE1-OD1 3.21Å; H615-D619 IonicContact CE1-OD2 3.42Å; H615-D619 PolarHBondContact CE1-OD2 3.41Å; H615-D619 IonicContact CG-OD2 3.99Å; H615-D619 IonicContact ND1-OD1 3.42Å; H615-D619 PolarHBondContact ND1-OD1 3.21Å; H615-D619 IonicContact ND1-OD2 2.78Å; H615-D619 PolarHBondContact ND1-OD2 2.95Å; H615-D619 PolarHBondContact O-N 3.3Å; H615-D619 VanDerWaalsContact O-OD2 3.08Å; T616-D619 PolarHBondContact O-N 2.82Å; L617-D619 VanDerWaalsContact C-N 3.29Å; L617-D619 PolarHBondContact O-N 3.46Å; D619-L621 PolarHBondContact O-N 2.99Å; D619-G622 PolarHBondContact O-N 2.87Å; D619-G622 VanDerWaalsContact O-N 3.14Å; D619-H624 IonicContact OD1-CE1 3.91Å; D619-H624 PolarHBondContact OD1-CE1 3.15Å; D619-H624 IonicContact OD1-CG 2.73Å; D619-H624 IonicContact OD1-ND1 2.72Å; D619-H624 PolarHBondContact OD1-ND1 3.4Å
620Q87.8Confident81.7Confident112 Ų11268.5 Ų68.552%0.52338%0.383SS..Hα-helixtrans-60-30.8176.8-75.6177.4600113.5T616 L617 N658T616-Q620 WeakPolarHBondContact O-CB 3.49Å; T616-Q620 VanDerWaalsContact O-CG 3.3Å; T616-Q620 WeakPolarHBondContact O-CG 3.35Å; T616-Q620 PolarHBondContact O-N 2.96Å; L617-Q620 PolarHBondContact O-N 3.34Å; Q620-N658 PolarHBondContact NE2-O 3.4Å
621L87.8Confident81.5Confident70 Ų7068 Ų6837%0.36639%0.392SS..THydrogen-bonded Turntrans-93-3.7179-92.360000113.8L617 G618 D619 K623 P634 D638L617-L621 HydrophobicContact CD1-CD1 3.66Å; L617-L621 HydrophobicContact CD1-CD2 4.47Å; L617-L621 HydrophobicContact CG-CD1 4.44Å; L617-L621 PolarHBondContact O-N 2.9Å; G618-L621 PolarHBondContact O-N 3.18Å; D619-L621 PolarHBondContact O-N 2.99Å; L621-K623 HydrophobicContact CB-CB 4.33Å; L621-K623 HydrophobicContact CB-CD 4.28Å; L621-K623 HydrophobicContact CB-CG 4.17Å; L621-K623 HydrophobicContact CD2-CD 4.4Å; L621-K623 PolarHBondContact O-N 2.95Å; L621-P634 HydrophobicContact CD2-CB 4.23Å; L621-D638 HydrophobicContact CD2-CB 3.82Å
622G83.7Confident81Confident55 Ų5563.6 Ų63.657%0.56737%0.371SS*.THydrogen-bonded Turntrans63.422.9-17000000113.5G618 D619G618-G622 PolarHBondContact O-N 3.42Å; G618-G622 VanDerWaalsContact O-N 3.15Å; D619-G622 PolarHBondContact O-N 2.87Å; D619-G622 VanDerWaalsContact O-N 3.14Å
623K85.4Confident80.7Confident86 Ų8664.2 Ų64.237%0.37438%0.378SS..  trans-116.462.4-179-62.2-179.2-167.2-178.70109.4G618 L621 G633 P634 D638G618-K623 WeakPolarHBondContact CA-O 3.33Å; G618-K623 CarbonylContact O-C 3.36Å; G618-K623 PolarHBondContact O-N 2.92Å; L621-K623 HydrophobicContact CB-CB 4.33Å; L621-K623 HydrophobicContact CB-CD 4.28Å; L621-K623 HydrophobicContact CB-CG 4.17Å; L621-K623 HydrophobicContact CD2-CD 4.4Å; L621-K623 PolarHBondContact O-N 2.95Å; K623-G633 CarbonylContact O-C 3.56Å; K623-G633 WeakPolarHBondContact O-CA 3.22Å; K623-P634 HydrophobicContact CD-CB 4.42Å; K623-P634 WeakPolarHBondContact O-CD 3.48Å; K623-D638 IonicContact NZ-OD2 2.89Å; K623-D638 PolarHBondContact NZ-OD2 2.72Å
624H79.9Confident80.4Confident110 Ų11064.1 Ų64.151%0.50938%0.378SS..  trans-60153.1180-51.6-77.3000111.9D619D619-H624 IonicContact OD1-CE1 3.91Å; D619-H624 PolarHBondContact OD1-CE1 3.15Å; D619-H624 IonicContact OD1-CG 2.73Å; D619-H624 IonicContact OD1-ND1 2.72Å; D619-H624 PolarHBondContact OD1-ND1 3.4Å
625F77.1Confident80.3Confident44 Ų4466.3 Ų66.319%0.19339%0.394CS..  trans-77.5139.1168.2-67.1-78.4000110R607 L614 S632 P634R607-F625 VanDerWaalsContact NH2-CD1 3.33Å; L614-F625 HydrophobicContact CD1-CE2 4.49Å; L614-F625 HydrophobicContact CD1-CZ 4.09Å; L614-F625 HydrophobicContact CD2-CZ 4.03Å; L614-F625 HydrophobicContact CG-CE2 3.9Å; L614-F625 HydrophobicContact CG-CZ 3.72Å; L614-F625 WeakPolarHBondContact O-CE2 3.41Å; F625-S632 VanDerWaalsContact CD1-O 3.28Å; F625-S632 WeakPolarHBondContact CD1-O 3.48Å; F625-S632 WeakPolarHBondContact CE1-O 3.46Å; F625-P634 HydrophobicContact CZ-CG 4.24Å
626N77.4Confident80.2Confident81 Ų8166.1 Ų66.143%0.43339%0.394SS..  trans-138.2112.8176.2177.6-1.4000108.2S628 V629 S632N626-S628 PolarHBondContact ND2-OG 2.89Å; N626-S628 VanDerWaalsContact ND2-OG 3.14Å; N626-S628 PolarHBondContact O-N 3.4Å; N626-S628 PolarHBondContact OD1-N 3.03Å; N626-S628 VanDerWaalsContact OD1-N 3.12Å; N626-S628 PolarHBondContact OD1-OG 2.91Å; N626-V629 PolarHBondContact O-N 3.4Å; N626-S632 PolarHBondContact N-OG 3.19Å; N626-S632 PolarHBondContact O-OG 3.22Å
627E68.7Low80.2Confident187 Ų18771.4 Ų71.487%0.87441%0.413SS*.THydrogen-bonded Turntrans-64-22.6-174.5-57.2-162.414400113.3V629E627-V629 PolarHBondContact O-N 3.4Å
628S71.6Confident80.2Confident94 Ų9472.9 Ų72.966%0.65742%0.421SS*.THydrogen-bonded Turntrans-71.5-10.1174.865.40000114.5N626N626-S628 PolarHBondContact ND2-OG 2.89Å; N626-S628 VanDerWaalsContact ND2-OG 3.14Å; N626-S628 PolarHBondContact O-N 3.4Å; N626-S628 PolarHBondContact OD1-N 3.03Å; N626-S628 VanDerWaalsContact OD1-N 3.12Å; N626-S628 PolarHBondContact OD1-OG 2.91Å
629V69.9Low80.4Confident74 Ų7473.8 Ų73.845%0.44843%0.425SS..SBendtrans-127.7106.4-179.7-177.80000110.2N626 E627 G631 S632N626-V629 PolarHBondContact O-N 3.4Å; E627-V629 PolarHBondContact O-N 3.4Å; V629-G631 PolarHBondContact O-N 3.12Å; V629-S632 VanDerWaalsContact O-CB 3.26Å; V629-S632 WeakPolarHBondContact O-CB 3.46Å; V629-S632 PolarHBondContact O-N 3.39Å; V629-S632 VanDerWaalsContact O-N 3.15Å; V629-S632 PolarHBondContact O-OG 2.86Å
630P62.8Low80.7Confident127 Ų12773.3 Ų73.383%0.82542%0.418SS*.THydrogen-bonded Turntrans-61.6136.9172.426.4-33.3000110.1
631G65.8Low81Confident80 Ų8071.7 Ų71.783%0.82542%0.416SS*.THydrogen-bonded Turntrans86.10.4-173.200000115.4V629V629-G631 PolarHBondContact O-N 3.12Å
632S72Confident81.3Confident20 Ų2069.5 Ų69.514%0.1441%0.405CS..  trans-60.8152.7172.863.20000113.3F625 N626 V629F625-S632 VanDerWaalsContact CD1-O 3.28Å; F625-S632 WeakPolarHBondContact CD1-O 3.48Å; F625-S632 WeakPolarHBondContact CE1-O 3.46Å; N626-S632 PolarHBondContact N-OG 3.19Å; N626-S632 PolarHBondContact O-OG 3.22Å; V629-S632 VanDerWaalsContact O-CB 3.26Å; V629-S632 WeakPolarHBondContact O-CB 3.46Å; V629-S632 PolarHBondContact O-N 3.39Å; V629-S632 VanDerWaalsContact O-N 3.15Å; V629-S632 PolarHBondContact O-OG 2.86Å
633G81.9Confident81.8Confident20 Ų2066.9 Ų66.921%0.20638%0.378CS..SBendtrans111.2-171.9-179.800000115.3K623K623-G633 CarbonylContact O-C 3.56Å; K623-G633 WeakPolarHBondContact O-CA 3.22Å
634P86.1Confident82.3Confident3 Ų365 Ų652%0.01937%0.372CS..SBendtrans-68.4154.417626.1-32.1000112.8L614 L617 L621 K623 F625 D638 K639L614-P634 HydrophobicContact CD1-CG 4.36Å; L617-P634 HydrophobicContact CD2-CG 4.29Å; L621-P634 HydrophobicContact CD2-CB 4.23Å; K623-P634 HydrophobicContact CD-CB 4.42Å; K623-P634 WeakPolarHBondContact O-CD 3.48Å; F625-P634 HydrophobicContact CZ-CG 4.24Å; P634-D638 HydrophobicContact CB-CB 4.12Å; P634-K639 HydrophobicContact CG-CG 4.16Å; P634-K639 WeakPolarHBondContact O-CD 3.13Å; P634-K639 WeakPolarHBondContact O-CE 3.27Å; P634-K639 PolarHBondContact O-NZ 2.97Å
635S86.8Confident83.1Confident51 Ų5163.3 Ų63.336%0.35736%0.362SS..  trans-71.9160.8-176.574.90000112.2K637 D638 K639S635-K637 PolarHBondContact O-N 2.95Å; S635-D638 WeakPolarHBondContact CB-OD2 3.27Å; S635-D638 PolarHBondContact N-OD2 2.98Å; S635-D638 PolarHBondContact O-N 3.46Å; S635-D638 PolarHBondContact OG-N 3.01Å; S635-D638 PolarHBondContact OG-OD1 2.69Å; S635-D638 PolarHBondContact OG-OD2 3.33Å; S635-K639 WeakPolarHBondContact O-CD 3.39Å; S635-K639 WeakPolarHBondContact O-CG 3.35Å; S635-K639 PolarHBondContact O-N 3.23Å
636I84.9Confident83.9Confident53 Ų5361.7 Ų61.727%0.27236%0.355SS..Hα-helixtrans-55.9-38.3177-56.8170.3000110.9F461 D465 Y640F461-I636 HydrophobicContact CB-CG2 4.28Å; F461-I636 HydrophobicContact CD1-CG2 4.12Å; D465-I636 VanDerWaalsContact OD2-CD1 3.31Å; D465-I636 WeakPolarHBondContact OD2-CD1 3.41Å; I636-Y640 VanDerWaalsContact O-CB 3.32Å; I636-Y640 WeakPolarHBondContact O-CB 3.43Å; I636-Y640 PolarHBondContact O-N 3.35Å
637K89Confident84.8Confident159 Ų15957.8 Ų57.869%0.69133%0.334SS*.Hα-helixtrans-62.7-47.5174.5-175.3-175176.9-172.60111.8S635 V641S635-K637 PolarHBondContact O-N 2.95Å; K637-V641 HydrophobicContact CG-CG2 4.38Å; K637-V641 WeakPolarHBondContact O-CB 3.31Å; K637-V641 VanDerWaalsContact O-CG2 3.26Å; K637-V641 WeakPolarHBondContact O-CG2 3.26Å; K637-V641 PolarHBondContact O-N 3.37Å
638D90.8Very high86Confident37 Ų3751.9 Ų51.920%0.19831%0.305CS..Hα-helixtrans-61.7-48.8179-52.8-35.9000110.1L621 K623 P634 S635 Y640 V641 T642L621-D638 HydrophobicContact CD2-CB 3.82Å; K623-D638 IonicContact NZ-OD2 2.89Å; K623-D638 PolarHBondContact NZ-OD2 2.72Å; P634-D638 HydrophobicContact CB-CB 4.12Å; S635-D638 WeakPolarHBondContact CB-OD2 3.27Å; S635-D638 PolarHBondContact N-OD2 2.98Å; S635-D638 PolarHBondContact O-N 3.46Å; S635-D638 PolarHBondContact OG-N 3.01Å; S635-D638 PolarHBondContact OG-OD1 2.69Å; S635-D638 PolarHBondContact OG-OD2 3.33Å; D638-Y640 PolarHBondContact O-N 2.9Å; D638-V641 PolarHBondContact O-N 2.91Å; D638-T642 WeakPolarHBondContact O-CB 3.44Å; D638-T642 PolarHBondContact O-N 3.24Å; D638-T642 PolarHBondContact O-OG1 2.96Å
639K90.7Very high87.1Confident19 Ų1947.9 Ų47.98%0.08328%0.277CS..Hα-helixtrans-54.8-51.7177-72.8159.2166.3151.40112.2F461 Y600 L614 P634 S635 A643F461-K639 HydrophobicContact CE1-CB 4.23Å; Y600-K639 HydrophobicContact CD2-CB 4.2Å; Y600-K639 HydrophobicContact CE2-CB 3.9Å; Y600-K639 HydrophobicContact CE2-CD 3.78Å; Y600-K639 HydrophobicContact CE2-CG 3.95Å; L614-K639 HydrophobicContact CD1-CG 3.99Å; P634-K639 HydrophobicContact CG-CG 4.16Å; P634-K639 WeakPolarHBondContact O-CD 3.13Å; P634-K639 WeakPolarHBondContact O-CE 3.27Å; P634-K639 PolarHBondContact O-NZ 2.97Å; S635-K639 WeakPolarHBondContact O-CD 3.39Å; S635-K639 WeakPolarHBondContact O-CG 3.35Å; S635-K639 PolarHBondContact O-N 3.23Å; K639-A643 WeakPolarHBondContact O-CB 3.33Å; K639-A643 PolarHBondContact O-N 3.04Å
640Y93.8Very high88.2Confident57 Ų5745 Ų4522%0.22426%0.261CS..Hα-helixtrans-66.6-47.1-178.3173.1-107.8000112.6Y457 F461 H593 I636 D638 T642 A643 L644Y457-Y640 HydrophobicContact CD2-CD2 4.01Å; Y457-Y640 HydrophobicContact CD2-CE2 4.11Å; Y457-Y640 HydrophobicContact CE2-CD2 4.08Å; Y457-Y640 HydrophobicContact CE2-CG 4.17Å; F461-Y640 AromaticContact CE2-CD2 3.79Å; F461-Y640 HydrophobicContact CE2-CD2 3.79Å; F461-Y640 AromaticContact CZ-CD2 3.8Å; F461-Y640 HydrophobicContact CZ-CD2 3.8Å; F461-Y640 HydrophobicContact CZ-CG 4.4Å; H593-Y640 AromaticContact CE1-CE2 3.67Å; H593-Y640 AromaticContact ND1-CE2 3.55Å; H593-Y640 AromaticContact ND1-CZ 3.83Å; H593-Y640 PolarHBondContact ND1-OH 3.47Å; I636-Y640 VanDerWaalsContact O-CB 3.32Å; I636-Y640 WeakPolarHBondContact O-CB 3.43Å; I636-Y640 PolarHBondContact O-N 3.35Å; D638-Y640 PolarHBondContact O-N 2.9Å; Y640-T642 VanDerWaalsContact C-N 3.34Å; Y640-T642 PolarHBondContact O-N 3.31Å; Y640-A643 PolarHBondContact O-N 2.86Å; Y640-L644 HydrophobicContact CE1-CD1 4.26Å; Y640-L644 HydrophobicContact CE2-CD1 4.25Å; Y640-L644 WeakPolarHBondContact O-CB 3.36Å; Y640-L644 PolarHBondContact O-N 3.46Å; Y640-L644 WeakPolarHBondContact OH-CD1 3.37Å
641V94.6Very high89.7Confident79 Ų7939 Ų3948%0.47922%0.222SC..Hα-helixtrans-63.5-41.2-180171.80000110.9K637 D638 Y645K637-V641 HydrophobicContact CG-CG2 4.38Å; K637-V641 WeakPolarHBondContact O-CB 3.31Å; K637-V641 VanDerWaalsContact O-CG2 3.26Å; K637-V641 WeakPolarHBondContact O-CG2 3.26Å; K637-V641 PolarHBondContact O-N 3.37Å; D638-V641 PolarHBondContact O-N 2.91Å; V641-Y645 VanDerWaalsContact O-CB 3.27Å; V641-Y645 WeakPolarHBondContact O-CB 3.33Å; V641-Y645 PolarHBondContact O-N 3.34Å
642T94.4Very high90.9Very high23 Ų2337.3 Ų37.314%0.14120%0.196CC..Hα-helixtrans-66.6-44176.1-61.50000112.3W613 L617 D638 Y640 L644 Y645 F646 V659W613-T642 HydrophobicContact CE3-CG2 4.49Å; W613-T642 HydrophobicContact CZ3-CG2 3.81Å; L617-T642 HydrophobicContact CD1-CG2 3.84Å; L617-T642 HydrophobicContact CD2-CG2 3.96Å; L617-T642 HydrophobicContact CG-CG2 4.44Å; D638-T642 WeakPolarHBondContact O-CB 3.44Å; D638-T642 PolarHBondContact O-N 3.24Å; D638-T642 PolarHBondContact O-OG1 2.96Å; Y640-T642 VanDerWaalsContact C-N 3.34Å; Y640-T642 PolarHBondContact O-N 3.31Å; T642-L644 VanDerWaalsContact C-N 3.32Å; T642-L644 PolarHBondContact O-N 2.92Å; T642-Y645 PolarHBondContact O-N 2.8Å; T642-F646 PolarHBondContact O-N 3.47Å; T642-V659 HydrophobicContact CG2-CG2 3.49Å; T642-V659 VanDerWaalsContact CG2-CG2 3.49Å
643A95.1Very high91.8Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-60.8-42.5177.400000111.9A596 W613 K639 Y640 F646 T647A596-A643 HydrophobicContact CB-CB 4.17Å; W613-A643 HydrophobicContact CH2-CB 4Å; W613-A643 HydrophobicContact CZ2-CB 4.36Å; K639-A643 WeakPolarHBondContact O-CB 3.33Å; K639-A643 PolarHBondContact O-N 3.04Å; Y640-A643 PolarHBondContact O-N 2.86Å; A643-F646 PolarHBondContact O-N 2.99Å; A643-T647 PolarHBondContact O-N 2.87Å; A643-T647 VanDerWaalsContact O-N 3.09Å; A643-T647 PolarHBondContact O-OG1 3.32Å
644L95.6Very high92.4Very high46 Ų4644 Ų4424%0.24124%0.235CC..Hα-helixtrans-69.1-39.9177-174.5146.8000111.9A596 Y640 T642 T647 F648A596-L644 HydrophobicContact CB-CB 4.1Å; Y640-L644 HydrophobicContact CE1-CD1 4.26Å; Y640-L644 HydrophobicContact CE2-CD1 4.25Å; Y640-L644 WeakPolarHBondContact O-CB 3.36Å; Y640-L644 PolarHBondContact O-N 3.46Å; Y640-L644 WeakPolarHBondContact OH-CD1 3.37Å; T642-L644 VanDerWaalsContact C-N 3.32Å; T642-L644 PolarHBondContact O-N 2.92Å; L644-T647 PolarHBondContact O-N 2.94Å; L644-T647 PolarHBondContact O-OG1 3.15Å; L644-F648 HydrophobicContact CD1-CE2 4.3Å; L644-F648 HydrophobicContact CD2-CD2 3.5Å; L644-F648 HydrophobicContact CD2-CE2 3.66Å; L644-F648 HydrophobicContact CG-CD2 3.77Å; L644-F648 HydrophobicContact CG-CE2 3.83Å; L644-F648 WeakPolarHBondContact O-CB 3.5Å; L644-F648 WeakPolarHBondContact O-CD2 3.36Å; L644-F648 PolarHBondContact O-N 3.45Å
645Y95.3Very high92.6Very high76 Ų7646.4 Ų46.430%0.29826%0.261SS..Hα-helixtrans-59.8-45.6172.6166-103.3000112.1V641 T642 S649 F656 N658V641-Y645 VanDerWaalsContact O-CB 3.27Å; V641-Y645 WeakPolarHBondContact O-CB 3.33Å; V641-Y645 PolarHBondContact O-N 3.34Å; T642-Y645 PolarHBondContact O-N 2.8Å; Y645-S649 WeakPolarHBondContact O-CB 3.26Å; Y645-S649 PolarHBondContact O-N 3.24Å; Y645-S649 PolarHBondContact O-OG 2.89Å; Y645-F656 AromaticContact CE2-CD2 3.77Å; Y645-F656 HydrophobicContact CE2-CD2 3.77Å; Y645-F656 AromaticContact CE2-CE2 3.99Å; Y645-F656 HydrophobicContact CE2-CE2 3.99Å; Y645-F656 AromaticContact CZ-CD2 3.69Å; Y645-F656 VanDerWaalsContact OH-CB 3.27Å; Y645-F656 WeakPolarHBondContact OH-CB 3.42Å; Y645-F656 WeakPolarHBondContact OH-CD2 3.45Å; Y645-F656 WeakPolarHBondContact OH-CG 3.36Å; Y645-N658 HydrophobicContact CE1-CB 4.27Å; Y645-N658 PolarHBondContact OH-ND2 3.49Å
646F95.1Very high92.7Very high9 Ų949.8 Ų49.84%0.03927%0.27CS..Hα-helixtrans-57.8-54175.9171.8-106.5000111.1W599 T642 A643 F648 S649 S650 V659W599-F646 AromaticContact CD1-CD1 3.83Å; W599-F646 AromaticContact CD2-CD1 3.65Å; W599-F646 HydrophobicContact CD2-CD1 3.65Å; W599-F646 AromaticContact CD2-CE1 3.56Å; W599-F646 HydrophobicContact CD2-CE1 3.56Å; W599-F646 AromaticContact CE2-CD1 3.41Å; W599-F646 VanDerWaalsContact CE2-CD1 3.41Å; W599-F646 AromaticContact CE2-CE1 3.51Å; W599-F646 HydrophobicContact CE3-CD1 4.29Å; W599-F646 AromaticContact CE3-CE1 3.73Å; W599-F646 HydrophobicContact CE3-CE1 3.73Å; W599-F646 AromaticContact CG-CD1 3.89Å; W599-F646 HydrophobicContact CG-CD1 3.89Å; W599-F646 HydrophobicContact CG-CE1 4.22Å; W599-F646 HydrophobicContact CH2-CD1 4.45Å; W599-F646 AromaticContact CH2-CE1 3.76Å; W599-F646 HydrophobicContact CH2-CE1 3.76Å; W599-F646 AromaticContact CH2-CZ 3.81Å; W599-F646 HydrophobicContact CH2-CZ 3.81Å; W599-F646 AromaticContact CZ2-CD1 3.86Å; W599-F646 HydrophobicContact CZ2-CD1 3.86Å; W599-F646 HydrophobicContact CZ2-CD2 4.5Å; W599-F646 AromaticContact CZ2-CE1 3.63Å; W599-F646 HydrophobicContact CZ2-CE1 3.63Å; W599-F646 HydrophobicContact CZ2-CE2 4.3Å; W599-F646 HydrophobicContact CZ2-CG 4.3Å; W599-F646 AromaticContact CZ2-CZ 3.87Å; W599-F646 HydrophobicContact CZ2-CZ 3.87Å; W599-F646 AromaticContact CZ3-CE1 3.8Å; W599-F646 HydrophobicContact CZ3-CE1 3.8Å; W599-F646 HydrophobicContact CZ3-CZ 4.14Å; W599-F646 AromaticContact NE1-CD1 3.54Å; W599-F646 AromaticContact NE1-CG 3.96Å; T642-F646 PolarHBondContact O-N 3.47Å; A643-F646 PolarHBondContact O-N 2.99Å; F646-F648 PolarHBondContact O-N 2.98Å; F646-S649 PolarHBondContact O-N 2.86Å; F646-S649 PolarHBondContact O-OG 3.01Å; F646-S650 PolarHBondContact O-N 2.97Å; F646-V659 HydrophobicContact CB-CB 4.3Å; F646-V659 HydrophobicContact CB-CG1 4.13Å; F646-V659 HydrophobicContact CD2-CB 4.08Å; F646-V659 HydrophobicContact CD2-CG1 3.96Å; F646-V659 HydrophobicContact CG-CG1 4.15Å
647T95.4Very high92.7Very high0 Ų049.7 Ų49.70%028%0.282CS..Hα-helixtrans-67.1-39.7-176.559.80000113A592 L595 A596 W599 A643 L644 S649 S650 L651A592-T647 PolarHBondContact O-OG1 3.34Å; L595-T647 HydrophobicContact CB-CG2 3.92Å; A596-T647 HydrophobicContact CB-CG2 4.31Å; W599-T647 HydrophobicContact CB-CG2 4.45Å; A643-T647 PolarHBondContact O-N 2.87Å; A643-T647 VanDerWaalsContact O-N 3.09Å; A643-T647 PolarHBondContact O-OG1 3.32Å; L644-T647 PolarHBondContact O-N 2.94Å; L644-T647 PolarHBondContact O-OG1 3.15Å; T647-S649 PolarHBondContact O-N 2.82Å; T647-S650 PolarHBondContact O-N 2.96Å; T647-L651 WeakPolarHBondContact O-CB 3.09Å; T647-L651 WeakPolarHBondContact O-CD1 3.47Å; T647-L651 PolarHBondContact O-N 3.44Å
648F94.3Very high92.6Very high62 Ų6246.8 Ų46.827%0.27227%0.274SS..Hα-helixtrans-59.3-45.7171.3-92.3-84.1000111.5F588 A589 A592 L644 F646 S650 L651 T652F588-F648 HydrophobicContact CD1-CE1 4.09Å; F588-F648 AromaticContact CE1-CD1 3.92Å; F588-F648 HydrophobicContact CE1-CD1 3.92Å; F588-F648 AromaticContact CE1-CE1 3.61Å; F588-F648 HydrophobicContact CE1-CE1 3.61Å; F588-F648 HydrophobicContact CZ-CD1 4.31Å; F588-F648 HydrophobicContact CZ-CE1 4.38Å; A589-F648 HydrophobicContact CB-CZ 4.26Å; A592-F648 HydrophobicContact CB-CD1 4.29Å; A592-F648 HydrophobicContact CB-CD2 3.7Å; A592-F648 HydrophobicContact CB-CE1 4.07Å; A592-F648 HydrophobicContact CB-CE2 3.45Å; A592-F648 VanDerWaalsContact CB-CE2 3.45Å; A592-F648 HydrophobicContact CB-CG 4.13Å; A592-F648 HydrophobicContact CB-CZ 3.66Å; L644-F648 HydrophobicContact CD1-CE2 4.3Å; L644-F648 HydrophobicContact CD2-CD2 3.5Å; L644-F648 HydrophobicContact CD2-CE2 3.66Å; L644-F648 HydrophobicContact CG-CD2 3.77Å; L644-F648 HydrophobicContact CG-CE2 3.83Å; L644-F648 WeakPolarHBondContact O-CB 3.5Å; L644-F648 WeakPolarHBondContact O-CD2 3.36Å; L644-F648 PolarHBondContact O-N 3.45Å; F646-F648 PolarHBondContact O-N 2.98Å; F648-S650 VanDerWaalsContact C-N 3.27Å; F648-S650 PolarHBondContact O-N 3.37Å; F648-L651 PolarHBondContact O-N 3.44Å; F648-T652 WeakPolarHBondContact O-CG2 3.33Å; F648-T652 PolarHBondContact O-N 3.48Å; F648-T652 PolarHBondContact O-OG1 3.34Å
649S94.4Very high92.6Very high10 Ų1046 Ų467%0.0727%0.27CS..Hα-helixtrans-64.2-29.9-179.477.70000113.7Y645 F646 T647 V654 G655Y645-S649 WeakPolarHBondContact O-CB 3.26Å; Y645-S649 PolarHBondContact O-N 3.24Å; Y645-S649 PolarHBondContact O-OG 2.89Å; F646-S649 PolarHBondContact O-N 2.86Å; F646-S649 PolarHBondContact O-OG 3.01Å; T647-S649 PolarHBondContact O-N 2.82Å; S649-V654 PolarHBondContact O-N 3.29Å; S649-G655 PolarHBondContact O-N 3.12Å
650S94.2Very high92.5Very high15 Ų1547.4 Ų47.411%0.10528%0.283CS..Hα-helixtrans-79.2-44175.1-168.40000111.7F646 T647 F648 T652 S653 V673F646-S650 PolarHBondContact O-N 2.97Å; T647-S650 PolarHBondContact O-N 2.96Å; F648-S650 VanDerWaalsContact C-N 3.27Å; F648-S650 PolarHBondContact O-N 3.37Å; S650-T652 VanDerWaalsContact C-N 3.31Å; S650-T652 PolarHBondContact O-N 2.99Å; S650-S653 PolarHBondContact O-N 3.05Å; S650-V673 WeakPolarHBondContact OG-CG1 3.29Å
651L93Very high92.5Very high1 Ų146.3 Ų46.31%0.00528%0.283CS..Hα-helixtrans-61.5-34.1175.2-97.952.7000113.5F588 A592 L595 T647 F648 S653 V673 M680F588-L651 HydrophobicContact CE2-CB 4.01Å; F588-L651 HydrophobicContact CE2-CD2 4.15Å; F588-L651 HydrophobicContact CE2-CG 4.39Å; F588-L651 HydrophobicContact CZ-CB 4.22Å; A592-L651 HydrophobicContact CB-CD2 3.6Å; L595-L651 HydrophobicContact CD1-CD1 3.76Å; L595-L651 HydrophobicContact CD1-CD2 4.41Å; T647-L651 WeakPolarHBondContact O-CB 3.09Å; T647-L651 WeakPolarHBondContact O-CD1 3.47Å; T647-L651 PolarHBondContact O-N 3.44Å; F648-L651 PolarHBondContact O-N 3.44Å; L651-S653 VanDerWaalsContact C-N 3.3Å; L651-V673 HydrophobicContact CD1-CG1 3.46Å; L651-V673 VanDerWaalsContact CD1-CG1 3.46Å; L651-M680 HydrophobicContact CD2-CE 3.48Å; L651-M680 VanDerWaalsContact CD2-CE 3.48Å; L651-M680 HydrophobicContact CG-CE 3.7Å
652T92.6Very high92.3Very high44 Ų4444.8 Ų44.827%0.2727%0.272SS..THydrogen-bonded Turntrans-87.55.317561.10000113.3F588 F648 S650 V654F588-T652 HydrophobicContact CZ-CG2 3.89Å; F648-T652 WeakPolarHBondContact O-CG2 3.33Å; F648-T652 PolarHBondContact O-N 3.48Å; F648-T652 PolarHBondContact O-OG1 3.34Å; S650-T652 VanDerWaalsContact C-N 3.31Å; S650-T652 PolarHBondContact O-N 2.99Å; T652-V654 PolarHBondContact O-N 3.19Å; T652-V654 WeakPolarHBondContact OG1-CG2 3.34Å
653S90.9Very high92.2Very high100 Ų10045 Ų4570%0.69927%0.273SS*.THydrogen-bonded Turntrans56.624.4-176.7640000115.7S650 L651S650-S653 PolarHBondContact O-N 3.05Å; L651-S653 VanDerWaalsContact C-N 3.3Å
654V94.3Very high92.1Very high79 Ų7951 Ų5148%0.47931%0.305SS..  trans-87.7-37.5-178.2178.40000112.2S649 T652 F656S649-V654 PolarHBondContact O-N 3.29Å; T652-V654 PolarHBondContact O-N 3.19Å; T652-V654 WeakPolarHBondContact OG1-CG2 3.34Å; V654-F656 HydrophobicContact CB-CE2 4.41Å; V654-F656 HydrophobicContact CG1-CD1 3.93Å; V654-F656 HydrophobicContact CG1-CD2 4Å; V654-F656 HydrophobicContact CG1-CE1 3.57Å; V654-F656 HydrophobicContact CG1-CE2 3.64Å; V654-F656 HydrophobicContact CG1-CG 4.14Å; V654-F656 HydrophobicContact CG1-CZ 3.42Å; V654-F656 VanDerWaalsContact CG1-CZ 3.42Å; V654-F656 PolarHBondContact O-N 2.79Å
655G89.1Confident91.9Very high55 Ų5550.7 Ų50.757%0.56731%0.307SS*.  trans55.447.9165.500000116.4S649 G657S649-G655 PolarHBondContact O-N 3.12Å; G655-G657 PolarHBondContact O-N 3.02Å
656F89.4Confident91.8Very high121 Ų12147 Ų4753%0.53129%0.293SS..  trans-54.8-15.1-172.9-66.9-71.5000117.1Y645 V654 N658Y645-F656 AromaticContact CE2-CD2 3.77Å; Y645-F656 HydrophobicContact CE2-CD2 3.77Å; Y645-F656 AromaticContact CE2-CE2 3.99Å; Y645-F656 HydrophobicContact CE2-CE2 3.99Å; Y645-F656 AromaticContact CZ-CD2 3.69Å; Y645-F656 VanDerWaalsContact OH-CB 3.27Å; Y645-F656 WeakPolarHBondContact OH-CB 3.42Å; Y645-F656 WeakPolarHBondContact OH-CD2 3.45Å; Y645-F656 WeakPolarHBondContact OH-CG 3.36Å; V654-F656 HydrophobicContact CB-CE2 4.41Å; V654-F656 HydrophobicContact CG1-CD1 3.93Å; V654-F656 HydrophobicContact CG1-CD2 4Å; V654-F656 HydrophobicContact CG1-CE1 3.57Å; V654-F656 HydrophobicContact CG1-CE2 3.64Å; V654-F656 HydrophobicContact CG1-CG 4.14Å; V654-F656 HydrophobicContact CG1-CZ 3.42Å; V654-F656 VanDerWaalsContact CG1-CZ 3.42Å; V654-F656 PolarHBondContact O-N 2.79Å; F656-N658 PolarHBondContact O-N 2.98Å; F656-N658 VanDerWaalsContact O-N 3.13Å
657G85.2Confident91.8Very high52 Ų5251.1 Ų51.154%0.53631%0.31SS..SBendtrans78.7-15.1175.500000116.7G655 V659G655-G657 PolarHBondContact O-N 3.02Å; G657-V659 PolarHBondContact O-N 3.48Å; G657-V659 VanDerWaalsContact O-N 3.12Å
658N86.6Confident91.8Very high98 Ų9856.3 Ų56.352%0.52434%0.337SS..SBendtrans-55.8-29.4177.4-66.3-24.5000113.8Q620 Y645 F656Q620-N658 PolarHBondContact NE2-O 3.4Å; Y645-N658 HydrophobicContact CE1-CB 4.27Å; Y645-N658 PolarHBondContact OH-ND2 3.49Å; F656-N658 PolarHBondContact O-N 2.98Å; F656-N658 VanDerWaalsContact O-N 3.13Å
659V90.1Very high91.9Very high19 Ų1954.5 Ų54.512%0.11533%0.329CS..SBendtrans-128.2125.8171.9-177.40000106.5W599 W613 T642 F646 G657W599-V659 HydrophobicContact CZ2-CG1 4.25Å; W613-V659 HydrophobicContact CB-CG1 4.42Å; W613-V659 HydrophobicContact CE3-CG1 4.01Å; T642-V659 HydrophobicContact CG2-CG2 3.49Å; T642-V659 VanDerWaalsContact CG2-CG2 3.49Å; F646-V659 HydrophobicContact CB-CB 4.3Å; F646-V659 HydrophobicContact CB-CG1 4.13Å; F646-V659 HydrophobicContact CD2-CB 4.08Å; F646-V659 HydrophobicContact CD2-CG1 3.96Å; F646-V659 HydrophobicContact CG-CG1 4.15Å; G657-V659 PolarHBondContact O-N 3.48Å; G657-V659 VanDerWaalsContact O-N 3.12Å
660S89.8Confident91.9Very high50 Ų5054.7 Ų54.735%0.3533%0.33SS..  trans-133.9148.6-174.857.30000111.9N662S660-N662 PolarHBondContact O-N 2.84Å; S660-N662 PolarHBondContact O-OD1 3.02Å; S660-N662 PolarHBondContact OG-OD1 3.46Å
661P92.3Very high92Very high33 Ų3359.3 Ų59.321%0.21435%0.353CS..  trans-75115.1172.431.7-35.5000111.3W599 E666 K667W599-P661 HydrophobicContact CH2-CB 4.02Å; P661-E666 VanDerWaalsContact CB-C 3.45Å; P661-E666 HydrophobicContact CB-CB 3.68Å; P661-E666 WeakPolarHBondContact CB-O 3.26Å; P661-K667 HydrophobicContact CB-CG 3.95Å; P661-K667 HydrophobicContact CG-CG 4.25Å; P661-K667 VanDerWaalsContact O-CE 3.26Å; P661-K667 WeakPolarHBondContact O-CE 3.33Å
662N90.8Very high92.1Very high47 Ų4762.3 Ų62.325%0.25137%0.373SS..  trans-99.3-42.8-178.8-63.1-19.1000111.4I611 S660 E666 K667I611-N662 HydrophobicContact CG2-CB 4.1Å; I611-N662 VanDerWaalsContact O-CB 3.26Å; I611-N662 WeakPolarHBondContact O-CB 3.28Å; I611-N662 PolarHBondContact O-ND2 3.38Å; S660-N662 PolarHBondContact O-N 2.84Å; S660-N662 PolarHBondContact O-OD1 3.02Å; S660-N662 PolarHBondContact OG-OD1 3.46Å; N662-E666 WeakPolarHBondContact CA-OE2 3.28Å; N662-E666 PolarHBondContact N-OE2 3.32Å; N662-K667 VanDerWaalsContact O-CE 3.31Å; N662-K667 WeakPolarHBondContact O-CE 3.36Å; N662-K667 PolarHBondContact O-NZ 3Å
663T92.3Very high92.2Very high28 Ų2860.2 Ų60.217%0.17236%0.36CS..SBendtrans-82167.9-179.580.90000112.1E606 S665 E666 K667E606-T663 VanDerWaalsContact OE2-CB 3.23Å; E606-T663 WeakPolarHBondContact OE2-CB 3.49Å; E606-T663 VanDerWaalsContact OE2-CG2 3.27Å; E606-T663 WeakPolarHBondContact OE2-CG2 3.33Å; E606-T663 PolarHBondContact OE2-OG1 3.24Å; T663-S665 PolarHBondContact OG1-OG 3.21Å; T663-E666 HydrophobicContact CG2-CG 4.49Å; T663-E666 PolarHBondContact N-OE2 3.13Å; T663-E666 WeakPolarHBondContact OG1-CB 3.48Å; T663-E666 WeakPolarHBondContact OG1-CG 3.28Å; T663-E666 PolarHBondContact OG1-N 3.33Å; T663-K667 WeakPolarHBondContact O-CB 3.39Å; T663-K667 WeakPolarHBondContact O-CD 3.48Å; T663-K667 WeakPolarHBondContact O-CG 3.41Å; T663-K667 PolarHBondContact O-N 3.44Å
664N92.9Very high92.4Very high126 Ų12660.8 Ų60.867%0.67435%0.353SS*.Hα-helixtrans-70.5-35.5-178.6-69.5-18.2000112.3K667 I668N664-K667 PolarHBondContact O-N 2.91Å; N664-I668 WeakPolarHBondContact O-CD1 3.22Å; N664-I668 VanDerWaalsContact O-CG1 3.25Å; N664-I668 WeakPolarHBondContact O-CG1 3.43Å; N664-I668 PolarHBondContact O-N 3.11Å
665S92.2Very high92.4Very high39 Ų3962 Ų6227%0.27336%0.357SS..Hα-helixtrans-69.7-43.7176.267.50000111E606 T663 K667 I668 F669E606-S665 WeakPolarHBondContact OE1-CB 3.4Å; E606-S665 PolarHBondContact OE1-OG 2.99Å; E606-S665 PolarHBondContact OE2-OG 3.27Å; E606-S665 VanDerWaalsContact OE2-OG 3.07Å; T663-S665 PolarHBondContact OG1-OG 3.21Å; S665-K667 VanDerWaalsContact C-N 3.3Å; S665-K667 PolarHBondContact O-N 3.36Å; S665-I668 PolarHBondContact O-N 2.89Å; S665-F669 WeakPolarHBondContact O-CB 3.43Å; S665-F669 PolarHBondContact O-N 2.94Å
666E93.8Very high92.7Very high0 Ų062.9 Ų62.90%035%0.347CS..Hα-helixtrans-56.9-42.9173.5-72.9172.5173.100111.4W599 I602 G612 W613 P661 N662 T663 S670W599-E666 HydrophobicContact CH2-CB 3.81Å; W599-E666 HydrophobicContact CH2-CG 3.84Å; W599-E666 HydrophobicContact CZ3-CB 3.73Å; W599-E666 HydrophobicContact CZ3-CG 3.82Å; I602-E666 HydrophobicContact CG2-CG 4.22Å; G612-E666 VanDerWaalsContact CA-OE1 3.31Å; G612-E666 WeakPolarHBondContact CA-OE1 3.44Å; W613-E666 VanDerWaalsContact CD1-OE1 3.23Å; W613-E666 PolarHBondContact N-OE1 2.83Å; P661-E666 VanDerWaalsContact CB-C 3.45Å; P661-E666 HydrophobicContact CB-CB 3.68Å; P661-E666 WeakPolarHBondContact CB-O 3.26Å; N662-E666 WeakPolarHBondContact CA-OE2 3.28Å; N662-E666 PolarHBondContact N-OE2 3.32Å; T663-E666 HydrophobicContact CG2-CG 4.49Å; T663-E666 PolarHBondContact N-OE2 3.13Å; T663-E666 WeakPolarHBondContact OG1-CB 3.48Å; T663-E666 WeakPolarHBondContact OG1-CG 3.28Å; T663-E666 PolarHBondContact OG1-N 3.33Å; E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 3.23Å
667K94.9Very high92.9Very high94 Ų9457.2 Ų57.241%0.40932%0.323SS..Hα-helixtrans-66.6-46.5177.8-76.3164.5178.81540112.3P661 N662 T663 N664 S665 F669 S670 I671P661-K667 HydrophobicContact CB-CG 3.95Å; P661-K667 HydrophobicContact CG-CG 4.25Å; P661-K667 VanDerWaalsContact O-CE 3.26Å; P661-K667 WeakPolarHBondContact O-CE 3.33Å; N662-K667 VanDerWaalsContact O-CE 3.31Å; N662-K667 WeakPolarHBondContact O-CE 3.36Å; N662-K667 PolarHBondContact O-NZ 3Å; T663-K667 WeakPolarHBondContact O-CB 3.39Å; T663-K667 WeakPolarHBondContact O-CD 3.48Å; T663-K667 WeakPolarHBondContact O-CG 3.41Å; T663-K667 PolarHBondContact O-N 3.44Å; N664-K667 PolarHBondContact O-N 2.91Å; S665-K667 VanDerWaalsContact C-N 3.3Å; S665-K667 PolarHBondContact O-N 3.36Å; K667-F669 VanDerWaalsContact C-N 3.34Å; K667-F669 PolarHBondContact O-N 3.11Å; K667-S670 PolarHBondContact O-N 3.43Å; K667-I671 WeakPolarHBondContact O-CG1 3.47Å; K667-I671 PolarHBondContact O-N 2.96Å
668I95.9Very high93.2Very high110 Ų11058.1 Ų58.156%0.56432%0.321SS*.Hα-helixtrans-60.1-46.3175.9-69.9164000110.2N664 S665 S670 I671 C672N664-I668 WeakPolarHBondContact O-CD1 3.22Å; N664-I668 VanDerWaalsContact O-CG1 3.25Å; N664-I668 WeakPolarHBondContact O-CG1 3.43Å; N664-I668 PolarHBondContact O-N 3.11Å; S665-I668 PolarHBondContact O-N 2.89Å; I668-S670 PolarHBondContact O-N 2.92Å; I668-I671 PolarHBondContact O-N 3.11Å; I668-C672 PolarHBondContact O-N 3.22Å; I668-C672 VanDerWaalsContact O-N 3.08Å; I668-C672 PolarHBondContact O-SG 2.93Å; I668-C672 VanDerWaalsContact O-SG 3.41Å
669F95.9Very high93.5Very high24 Ų2459.1 Ų59.111%0.10533%0.326CS..Hα-helixtrans-59.2-45.7175.4178.3-98.8000111.6L595 I598 W599 I602 S665 K667 I671 C672 V673L595-F669 HydrophobicContact CB-CZ 4.15Å; L595-F669 HydrophobicContact CD2-CE2 4.01Å; L595-F669 HydrophobicContact CD2-CZ 3.97Å; L595-F669 WeakPolarHBondContact O-CZ 3.38Å; I598-F669 HydrophobicContact CB-CE2 4.01Å; I598-F669 HydrophobicContact CB-CZ 4.24Å; I598-F669 HydrophobicContact CG2-CD2 4.05Å; I598-F669 HydrophobicContact CG2-CE2 3.46Å; I598-F669 VanDerWaalsContact CG2-CE2 3.46Å; I598-F669 HydrophobicContact CG2-CZ 4.1Å; W599-F669 HydrophobicContact CB-CE1 3.88Å; W599-F669 HydrophobicContact CB-CZ 4.28Å; W599-F669 HydrophobicContact CD2-CD1 4.41Å; W599-F669 HydrophobicContact CD2-CE1 4.25Å; W599-F669 AromaticContact CE3-CD1 3.38Å; W599-F669 HydrophobicContact CE3-CD1 3.38Å; W599-F669 AromaticContact CE3-CE1 3.63Å; W599-F669 HydrophobicContact CE3-CE1 3.63Å; W599-F669 HydrophobicContact CE3-CG 4.4Å; W599-F669 HydrophobicContact CG-CE1 4.4Å; W599-F669 AromaticContact CZ3-CD1 3.87Å; W599-F669 HydrophobicContact CZ3-CD1 3.87Å; W599-F669 HydrophobicContact CZ3-CE1 4.49Å; I602-F669 HydrophobicContact CD1-CB 3.84Å; I602-F669 HydrophobicContact CD1-CD1 4.29Å; I602-F669 HydrophobicContact CD1-CD2 3.73Å; I602-F669 HydrophobicContact CD1-CE2 4.36Å; I602-F669 HydrophobicContact CD1-CG 3.68Å; S665-F669 WeakPolarHBondContact O-CB 3.43Å; S665-F669 PolarHBondContact O-N 2.94Å; K667-F669 VanDerWaalsContact C-N 3.34Å; K667-F669 PolarHBondContact O-N 3.11Å; F669-I671 VanDerWaalsContact C-N 3.31Å; F669-I671 PolarHBondContact O-N 2.76Å; F669-C672 WeakPolarHBondContact O-CB 3.27Å; F669-C672 PolarHBondContact O-N 2.87Å; F669-C672 VanDerWaalsContact O-N 3.15Å; F669-V673 HydrophobicContact CD1-CG2 3.8Å; F669-V673 HydrophobicContact CD2-CG2 4.35Å; F669-V673 HydrophobicContact CE1-CG2 3.41Å; F669-V673 VanDerWaalsContact CE1-CG2 3.41Å; F669-V673 HydrophobicContact CE2-CG2 3.98Å; F669-V673 HydrophobicContact CG-CG2 4.27Å; F669-V673 HydrophobicContact CZ-CG2 3.52Å; F669-V673 VanDerWaalsContact O-CG2 3.28Å; F669-V673 WeakPolarHBondContact O-CG2 3.38Å; F669-V673 PolarHBondContact O-N 3.19Å
670S94.6Very high93.5Very high13 Ų1359.4 Ų59.49%0.09133%0.326CS..Hα-helixtrans-60.4-37.6177.4-168.10000112.7E666 K667 I668 V673 M674E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 3.23Å; K667-S670 PolarHBondContact O-N 3.43Å; I668-S670 PolarHBondContact O-N 2.92Å; S670-V673 PolarHBondContact O-N 3.15Å; S670-M674 WeakPolarHBondContact O-CB 3.26Å; S670-M674 VanDerWaalsContact O-CG 3.25Å; S670-M674 WeakPolarHBondContact O-CG 3.43Å; S670-M674 PolarHBondContact O-N 3Å
671I95.3Very high93.5Very high113 Ų11361.3 Ų61.358%0.57933%0.326SS*.Hα-helixtrans-63.5-45.7174.5-68163.1000110.5K667 I668 F669 V673 M674 L675K667-I671 WeakPolarHBondContact O-CG1 3.47Å; K667-I671 PolarHBondContact O-N 2.96Å; I668-I671 PolarHBondContact O-N 3.11Å; F669-I671 VanDerWaalsContact C-N 3.31Å; F669-I671 PolarHBondContact O-N 2.76Å; I671-V673 PolarHBondContact O-N 3.08Å; I671-M674 PolarHBondContact O-N 3.07Å; I671-L675 PolarHBondContact O-N 2.89Å
672C95.7Very high93.5Very high64 Ų6462.7 Ų62.743%0.43234%0.34SS..Hα-helixtrans-61.4-42.2175-64.10000112.3I668 F669 L675 I676I668-C672 PolarHBondContact O-N 3.22Å; I668-C672 VanDerWaalsContact O-N 3.08Å; I668-C672 PolarHBondContact O-SG 2.93Å; I668-C672 VanDerWaalsContact O-SG 3.41Å; F669-C672 WeakPolarHBondContact O-CB 3.27Å; F669-C672 PolarHBondContact O-N 2.87Å; F669-C672 VanDerWaalsContact O-N 3.15Å; C672-L675 PolarHBondContact O-N 2.8Å; C672-I676 WeakPolarHBondContact O-CB 3.38Å; C672-I676 VanDerWaalsContact O-CG1 3.29Å; C672-I676 WeakPolarHBondContact O-CG1 3.29Å; C672-I676 PolarHBondContact O-N 3.03Å
673V95.1Very high93.4Very high0 Ų063.2 Ų63.20%035%0.348CS..Hα-helixtrans-63.4-42.2177.4171.30000111.6L595 S650 L651 F669 S670 I671 G677L595-V673 HydrophobicContact CD1-CG2 4.29Å; L595-V673 HydrophobicContact CD2-CG2 4.14Å; S650-V673 WeakPolarHBondContact OG-CG1 3.29Å; L651-V673 HydrophobicContact CD1-CG1 3.46Å; L651-V673 VanDerWaalsContact CD1-CG1 3.46Å; F669-V673 HydrophobicContact CD1-CG2 3.8Å; F669-V673 HydrophobicContact CD2-CG2 4.35Å; F669-V673 HydrophobicContact CE1-CG2 3.41Å; F669-V673 VanDerWaalsContact CE1-CG2 3.41Å; F669-V673 HydrophobicContact CE2-CG2 3.98Å; F669-V673 HydrophobicContact CG-CG2 4.27Å; F669-V673 HydrophobicContact CZ-CG2 3.52Å; F669-V673 VanDerWaalsContact O-CG2 3.28Å; F669-V673 WeakPolarHBondContact O-CG2 3.38Å; F669-V673 PolarHBondContact O-N 3.19Å; S670-V673 PolarHBondContact O-N 3.15Å; I671-V673 PolarHBondContact O-N 3.08Å; V673-G677 WeakPolarHBondContact O-CA 3.46Å; V673-G677 PolarHBondContact O-N 3.19Å
674M94.6Very high93.3Very high112 Ų11262.4 Ų62.455%0.55234%0.342SS*.Hα-helixtrans-65.3-40.8176.3-72169.267.700111.9S670 I671 G677 S678S670-M674 WeakPolarHBondContact O-CB 3.26Å; S670-M674 VanDerWaalsContact O-CG 3.25Å; S670-M674 WeakPolarHBondContact O-CG 3.43Å; S670-M674 PolarHBondContact O-N 3Å; I671-M674 PolarHBondContact O-N 3.07Å; M674-G677 PolarHBondContact O-N 3.37Å; M674-S678 WeakPolarHBondContact O-CB 3.21Å; M674-S678 PolarHBondContact O-N 3.47Å
675L94.9Very high93.1Very high105 Ų10561.4 Ų61.455%0.5533%0.332SS..Hα-helixtrans-64-52.4177-168.4160.1000110.8I671 C672 G677 S678 L679I671-L675 PolarHBondContact O-N 2.89Å; C672-L675 PolarHBondContact O-N 2.8Å; L675-G677 VanDerWaalsContact C-N 3.3Å; L675-G677 PolarHBondContact O-N 3.31Å; L675-S678 PolarHBondContact O-N 3.47Å; L675-S678 PolarHBondContact O-OG 2.87Å; L675-L679 HydrophobicContact CD2-CD1 3.79Å; L675-L679 PolarHBondContact O-N 3.41Å
676I94Very high93Very high73 Ų7361.4 Ų61.437%0.37434%0.339SS..Hα-helixtrans-59.6-42.7176.8-67.4166.4000110.7C672 L679 M680C672-I676 WeakPolarHBondContact O-CB 3.38Å; C672-I676 VanDerWaalsContact O-CG1 3.29Å; C672-I676 WeakPolarHBondContact O-CG1 3.29Å; C672-I676 PolarHBondContact O-N 3.03Å; I676-L679 PolarHBondContact O-N 2.98Å; I676-M680 VanDerWaalsContact O-CB 3.26Å; I676-M680 WeakPolarHBondContact O-CB 3.33Å; I676-M680 PolarHBondContact O-N 3.21Å
677G93.6Very high92.8Very high2 Ų264.5 Ų64.52%0.02136%0.355CS..Hα-helixtrans-56.7-49.9176.100000112.2V673 M674 L675 L679 M680 Y681V673-G677 WeakPolarHBondContact O-CA 3.46Å; V673-G677 PolarHBondContact O-N 3.19Å; M674-G677 PolarHBondContact O-N 3.37Å; L675-G677 VanDerWaalsContact C-N 3.3Å; L675-G677 PolarHBondContact O-N 3.31Å; G677-L679 PolarHBondContact O-N 2.99Å; G677-M680 PolarHBondContact O-N 3.38Å; G677-Y681 WeakPolarHBondContact O-CB 3.39Å; G677-Y681 PolarHBondContact O-N 2.69Å
678S92.5Very high92.4Very high71 Ų7161.4 Ų61.450%0.49734%0.344SS..Hα-helixtrans-60.4-45.5-179.172.40000113.2M674 L675 A682M674-S678 WeakPolarHBondContact O-CB 3.21Å; M674-S678 PolarHBondContact O-N 3.47Å; L675-S678 PolarHBondContact O-N 3.47Å; L675-S678 PolarHBondContact O-OG 2.87Å; S678-A682 WeakPolarHBondContact O-CB 3.39Å; S678-A682 PolarHBondContact O-N 3.35Å
679L91.7Very high92.1Very high118 Ų11858.8 Ų58.862%0.61834%0.336SS*.Hα-helixtrans-65.6-43.3177.8-67.4175.5000111.8L675 I676 G677 S683L675-L679 HydrophobicContact CD2-CD1 3.79Å; L675-L679 PolarHBondContact O-N 3.41Å; I676-L679 PolarHBondContact O-N 2.98Å; G677-L679 PolarHBondContact O-N 2.99Å; L679-S683 WeakPolarHBondContact O-CB 3.45Å; L679-S683 PolarHBondContact O-N 3.46Å
680M90.8Very high91.8Very high25 Ų2560.1 Ų60.112%0.12335%0.351CS..Hα-helixtrans-68.4-42.2179.1-179.5165.354.700111.7F588 I591 L651 I676 G677 S683 I684F588-M680 HydrophobicContact CD2-CE 3.65Å; F588-M680 HydrophobicContact CD2-CG 4.08Å; F588-M680 HydrophobicContact CD2-SD 3.8Å; F588-M680 HydrophobicContact CE2-CE 3.97Å; I591-M680 HydrophobicContact CB-CE 4.13Å; I591-M680 HydrophobicContact CB-SD 4.09Å; I591-M680 HydrophobicContact CD1-SD 3.54Å; I591-M680 VanDerWaalsContact CD1-SD 3.54Å; I591-M680 HydrophobicContact CG1-SD 4.41Å; I591-M680 HydrophobicContact CG2-CE 3.65Å; I591-M680 HydrophobicContact CG2-SD 4.08Å; L651-M680 HydrophobicContact CD2-CE 3.48Å; L651-M680 VanDerWaalsContact CD2-CE 3.48Å; L651-M680 HydrophobicContact CG-CE 3.7Å; I676-M680 VanDerWaalsContact O-CB 3.26Å; I676-M680 WeakPolarHBondContact O-CB 3.33Å; I676-M680 PolarHBondContact O-N 3.21Å; G677-M680 PolarHBondContact O-N 3.38Å; M680-S683 PolarHBondContact O-N 2.87Å; M680-I684 HydrophobicContact CG-CD1 3.67Å; M680-I684 HydrophobicContact CG-CG1 4.37Å; M680-I684 WeakPolarHBondContact O-CD1 3.37Å; M680-I684 VanDerWaalsContact O-CG1 3.22Å; M680-I684 WeakPolarHBondContact O-CG1 3.28Å; M680-I684 PolarHBondContact O-N 2.91Å
681Y90.4Very high91.4Very high90 Ų9061.2 Ų61.235%0.35336%0.355SS..Hα-helixtrans-60.2-48.3176-172.6-86.4000111G677 S683 I684 F685G677-Y681 WeakPolarHBondContact O-CB 3.39Å; G677-Y681 PolarHBondContact O-N 2.69Å; Y681-S683 VanDerWaalsContact C-N 3.34Å; Y681-S683 PolarHBondContact O-N 2.94Å; Y681-I684 PolarHBondContact O-N 3.31Å; Y681-F685 AromaticContact CD1-CD2 3.88Å; Y681-F685 HydrophobicContact CD1-CD2 3.88Å; Y681-F685 HydrophobicContact CD1-CE2 4.26Å; Y681-F685 HydrophobicContact CD2-CD2 4.21Å; Y681-F685 AromaticContact CD2-CE2 3.95Å; Y681-F685 HydrophobicContact CD2-CE2 3.95Å; Y681-F685 AromaticContact CE1-CD2 3.65Å; Y681-F685 HydrophobicContact CE1-CD2 3.65Å; Y681-F685 AromaticContact CE1-CE2 3.75Å; Y681-F685 HydrophobicContact CE1-CE2 3.75Å; Y681-F685 HydrophobicContact CE1-CG 4.28Å; Y681-F685 HydrophobicContact CE1-CZ 4.44Å; Y681-F685 HydrophobicContact CE2-CD2 4.01Å; Y681-F685 AromaticContact CE2-CE2 3.4Å; Y681-F685 HydrophobicContact CE2-CE2 3.4Å; Y681-F685 HydrophobicContact CE2-CZ 4.17Å; Y681-F685 HydrophobicContact CG-CD2 4.16Å; Y681-F685 HydrophobicContact CG-CE2 4.35Å; Y681-F685 AromaticContact CZ-CD2 3.72Å; Y681-F685 AromaticContact CZ-CE2 3.28Å; Y681-F685 AromaticContact CZ-CZ 3.81Å; Y681-F685 WeakPolarHBondContact O-CD2 3.45Å; Y681-F685 PolarHBondContact O-N 3.19Å
682A92.1Very high91Very high62 Ų6259.8 Ų59.851%0.51235%0.348SS..Hα-helixtrans-58.4-43.617500000112.3S678 G686S678-A682 WeakPolarHBondContact O-CB 3.39Å; S678-A682 PolarHBondContact O-N 3.35Å; A682-G686 PolarHBondContact O-N 2.95Å
683S88.9Confident90.7Very high59 Ų5963.6 Ų63.641%0.41336%0.36SS..Hα-helixtrans-63.1-42.7175.9-175.80000112.8L679 M680 Y681 N687L679-S683 WeakPolarHBondContact O-CB 3.45Å; L679-S683 PolarHBondContact O-N 3.46Å; M680-S683 PolarHBondContact O-N 2.87Å; Y681-S683 VanDerWaalsContact C-N 3.34Å; Y681-S683 PolarHBondContact O-N 2.94Å; S683-N687 WeakPolarHBondContact O-CB 3.33Å; S683-N687 PolarHBondContact O-N 3.48Å; S683-N687 PolarHBondContact O-ND2 3.01Å; S683-N687 PolarHBondContact OG-ND2 3.35Å
684I89.9Confident90.3Very high10 Ų1071.7 Ų71.75%0.05139%0.39CS..Hα-helixtrans-63.8-51.5178.1-68.2160.7000110.5L584 M585 F588 M680 Y681 G686 N687 V688L584-I684 HydrophobicContact CD1-CG1 4.18Å; L584-I684 HydrophobicContact CD2-CG1 4.38Å; L584-I684 HydrophobicContact CG-CG1 4.04Å; M585-I684 HydrophobicContact CE-CG2 3.77Å; M585-I684 HydrophobicContact SD-CG2 4.29Å; F588-I684 HydrophobicContact CB-CD1 3.73Å; F588-I684 HydrophobicContact CD2-CD1 3.3Å; F588-I684 HydrophobicContact CE2-CD1 4.05Å; F588-I684 HydrophobicContact CG-CD1 3.65Å; M680-I684 HydrophobicContact CG-CD1 3.67Å; M680-I684 HydrophobicContact CG-CG1 4.37Å; M680-I684 WeakPolarHBondContact O-CD1 3.37Å; M680-I684 VanDerWaalsContact O-CG1 3.22Å; M680-I684 WeakPolarHBondContact O-CG1 3.28Å; M680-I684 PolarHBondContact O-N 2.91Å; Y681-I684 PolarHBondContact O-N 3.31Å; I684-G686 VanDerWaalsContact C-N 3.34Å; I684-G686 PolarHBondContact O-N 3.09Å; I684-N687 PolarHBondContact O-N 3.39Å; I684-V688 HydrophobicContact CG2-CG2 4.25Å; I684-V688 WeakPolarHBondContact O-CB 3.39Å; I684-V688 VanDerWaalsContact O-CG2 3.26Å; I684-V688 WeakPolarHBondContact O-CG2 3.38Å; I684-V688 PolarHBondContact O-N 3.46Å
685F88.8Confident89.9Confident105 Ų10572.5 Ų72.546%0.46140%0.396SS..Hα-helixtrans-66.6-34.9-179.3-85.2-95.7000112.6Y681 S689Y681-F685 AromaticContact CD1-CD2 3.88Å; Y681-F685 HydrophobicContact CD1-CD2 3.88Å; Y681-F685 HydrophobicContact CD1-CE2 4.26Å; Y681-F685 HydrophobicContact CD2-CD2 4.21Å; Y681-F685 AromaticContact CD2-CE2 3.95Å; Y681-F685 HydrophobicContact CD2-CE2 3.95Å; Y681-F685 AromaticContact CE1-CD2 3.65Å; Y681-F685 HydrophobicContact CE1-CD2 3.65Å; Y681-F685 AromaticContact CE1-CE2 3.75Å; Y681-F685 HydrophobicContact CE1-CE2 3.75Å; Y681-F685 HydrophobicContact CE1-CG 4.28Å; Y681-F685 HydrophobicContact CE1-CZ 4.44Å; Y681-F685 HydrophobicContact CE2-CD2 4.01Å; Y681-F685 AromaticContact CE2-CE2 3.4Å; Y681-F685 HydrophobicContact CE2-CE2 3.4Å; Y681-F685 HydrophobicContact CE2-CZ 4.17Å; Y681-F685 HydrophobicContact CG-CD2 4.16Å; Y681-F685 HydrophobicContact CG-CE2 4.35Å; Y681-F685 AromaticContact CZ-CD2 3.72Å; Y681-F685 AromaticContact CZ-CE2 3.28Å; Y681-F685 AromaticContact CZ-CZ 3.81Å; Y681-F685 WeakPolarHBondContact O-CD2 3.45Å; Y681-F685 PolarHBondContact O-N 3.19Å; F685-S689 VanDerWaalsContact O-CB 3.23Å; F685-S689 WeakPolarHBondContact O-CB 3.48Å; F685-S689 PolarHBondContact O-N 3.36Å; F685-S689 PolarHBondContact O-OG 3.32Å
686G90.8Very high89.5Confident40 Ų4074 Ų7441%0.41240%0.395SS..Hα-helixtrans-61.8-50.717200000112.6A682 I684 S689 A690A682-G686 PolarHBondContact O-N 2.95Å; I684-G686 VanDerWaalsContact C-N 3.34Å; I684-G686 PolarHBondContact O-N 3.09Å; G686-S689 PolarHBondContact O-N 2.98Å; G686-A690 WeakPolarHBondContact O-CB 3.45Å; G686-A690 PolarHBondContact O-N 3.31Å
687N87.9Confident89.3Confident64 Ų6473.7 Ų73.734%0.34240%0.4SS..Hα-helixtrans-65.1-43.4178.6-80.8-73.1000112.7L584 S683 I684 S689 A690 I691L584-N687 HydrophobicContact CD2-CB 3.41Å; L584-N687 VanDerWaalsContact CD2-CB 3.41Å; S683-N687 WeakPolarHBondContact O-CB 3.33Å; S683-N687 PolarHBondContact O-N 3.48Å; S683-N687 PolarHBondContact O-ND2 3.01Å; S683-N687 PolarHBondContact OG-ND2 3.35Å; I684-N687 PolarHBondContact O-N 3.39Å; N687-S689 VanDerWaalsContact C-N 3.33Å; N687-S689 PolarHBondContact O-N 3.48Å; N687-A690 PolarHBondContact O-N 2.95Å; N687-I691 WeakPolarHBondContact O-CB 3.46Å; N687-I691 VanDerWaalsContact O-CG1 3.24Å; N687-I691 WeakPolarHBondContact O-CG1 3.27Å; N687-I691 PolarHBondContact O-N 2.8Å
688V87.7Confident89Confident30 Ų3075.3 Ų75.318%0.18242%0.417CS..Hα-helixtrans-60.5-43.9175.3169.40000110.5L581 M585 I684 I691 I692L581-V688 HydrophobicContact CD1-CG2 4.16Å; L581-V688 HydrophobicContact CG-CG2 4.44Å; M585-V688 HydrophobicContact CE-CG2 3.77Å; I684-V688 HydrophobicContact CG2-CG2 4.25Å; I684-V688 WeakPolarHBondContact O-CB 3.39Å; I684-V688 VanDerWaalsContact O-CG2 3.26Å; I684-V688 WeakPolarHBondContact O-CG2 3.38Å; I684-V688 PolarHBondContact O-N 3.46Å; V688-I691 PolarHBondContact O-N 3.31Å; V688-I692 HydrophobicContact CG1-CD1 3.74Å; V688-I692 HydrophobicContact CG1-CG1 4.46Å; V688-I692 WeakPolarHBondContact O-CB 3.29Å; V688-I692 VanDerWaalsContact O-CG1 3.27Å; V688-I692 WeakPolarHBondContact O-CG1 3.23Å; V688-I692 PolarHBondContact O-N 2.93Å
689S89.8Confident88.8Confident55 Ų5575.3 Ų75.339%0.38541%0.413SS..Hα-helixtrans-62.2-45.2176.6-60.10000112.2F685 G686 N687 I691 I692 Q693F685-S689 VanDerWaalsContact O-CB 3.23Å; F685-S689 WeakPolarHBondContact O-CB 3.48Å; F685-S689 PolarHBondContact O-N 3.36Å; F685-S689 PolarHBondContact O-OG 3.32Å; G686-S689 PolarHBondContact O-N 2.98Å; N687-S689 VanDerWaalsContact C-N 3.33Å; N687-S689 PolarHBondContact O-N 3.48Å; S689-I691 VanDerWaalsContact C-N 3.34Å; S689-I691 PolarHBondContact O-N 3.41Å; S689-I692 PolarHBondContact O-N 2.65Å; S689-Q693 WeakPolarHBondContact O-CB 3.5Å; S689-Q693 VanDerWaalsContact O-CG 3.29Å; S689-Q693 WeakPolarHBondContact O-CG 3.36Å; S689-Q693 PolarHBondContact O-N 3.03Å
690A88.7Confident88.8Confident51 Ų5172.1 Ų72.142%0.42140%0.404SS..Hα-helixtrans-63.9-37.2176.800000112.6G686 N687 R694G686-A690 WeakPolarHBondContact O-CB 3.45Å; G686-A690 PolarHBondContact O-N 3.31Å; N687-A690 PolarHBondContact O-N 2.95Å; A690-R694 VanDerWaalsContact O-CB 3.29Å; A690-R694 WeakPolarHBondContact O-CB 3.37Å; A690-R694 PolarHBondContact O-N 2.95Å
691I86.5Confident88.8Confident36 Ų3677 Ų7719%0.18542%0.421CS..Hα-helixtrans-69.4-40.2176.1-70.1167.9000111.1V580 L581 N687 V688 S689 R694 L695V580-I691 HydrophobicContact CB-CD1 4.41Å; V580-I691 HydrophobicContact CG1-CD1 4.29Å; L581-I691 HydrophobicContact CB-CD1 3.98Å; L581-I691 HydrophobicContact CD1-CG2 4.3Å; N687-I691 WeakPolarHBondContact O-CB 3.46Å; N687-I691 VanDerWaalsContact O-CG1 3.24Å; N687-I691 WeakPolarHBondContact O-CG1 3.27Å; N687-I691 PolarHBondContact O-N 2.8Å; V688-I691 PolarHBondContact O-N 3.31Å; S689-I691 VanDerWaalsContact C-N 3.34Å; S689-I691 PolarHBondContact O-N 3.41Å; I691-R694 PolarHBondContact O-N 2.91Å; I691-L695 WeakPolarHBondContact O-CB 3.33Å; I691-L695 PolarHBondContact O-N 2.79Å
692I87.1Confident88.9Confident84 Ų8475.1 Ų75.143%0.43141%0.414SS..Hα-helixtrans-62.7-49.4173.4-71.9168.7000110.4V688 S689 R694 L695 Y696V688-I692 HydrophobicContact CG1-CD1 3.74Å; V688-I692 HydrophobicContact CG1-CG1 4.46Å; V688-I692 WeakPolarHBondContact O-CB 3.29Å; V688-I692 VanDerWaalsContact O-CG1 3.27Å; V688-I692 WeakPolarHBondContact O-CG1 3.23Å; V688-I692 PolarHBondContact O-N 2.93Å; S689-I692 PolarHBondContact O-N 2.65Å; I692-R694 VanDerWaalsContact C-N 3.29Å; I692-R694 PolarHBondContact O-N 3.14Å; I692-L695 PolarHBondContact O-N 3.32Å; I692-Y696 HydrophobicContact CG2-CD2 3.83Å; I692-Y696 HydrophobicContact CG2-CE2 4.11Å; I692-Y696 WeakPolarHBondContact O-CD2 3.44Å; I692-Y696 PolarHBondContact O-N 2.94Å
693Q88.8Confident89Confident143 Ų14377 Ų7767%0.66841%0.412SS*.Hα-helixtrans-57.1-41.8175.6-73.9172.2-2.700111.9S689 S697S689-Q693 WeakPolarHBondContact O-CB 3.5Å; S689-Q693 VanDerWaalsContact O-CG 3.29Å; S689-Q693 WeakPolarHBondContact O-CG 3.36Å; S689-Q693 PolarHBondContact O-N 3.03Å; Q693-S697 WeakPolarHBondContact O-CA 3.49Å; Q693-S697 WeakPolarHBondContact O-CB 3.45Å; Q693-S697 PolarHBondContact O-N 2.92Å
694R86.3Confident89.2Confident170 Ų17077.5 Ų77.564%0.64241%0.413SS*.Hα-helixtrans-66.9-42.1176.3-176.1174.7174.8-170.8-4.5112.4A690 I691 I692 S697A690-R694 VanDerWaalsContact O-CB 3.29Å; A690-R694 WeakPolarHBondContact O-CB 3.37Å; A690-R694 PolarHBondContact O-N 2.95Å; I691-R694 PolarHBondContact O-N 2.91Å; I692-R694 VanDerWaalsContact C-N 3.29Å; I692-R694 PolarHBondContact O-N 3.14Å; R694-S697 WeakPolarHBondContact O-CB 3.45Å; R694-S697 PolarHBondContact O-N 3.33Å; R694-S697 PolarHBondContact O-OG 2.87Å
695L85.8Confident89.3Confident129 Ų12979.6 Ų79.668%0.67542%0.422SS*.Hα-helixtrans-64.1-46.8179-179.463.5000111.6I691 I692 S697I691-L695 WeakPolarHBondContact O-CB 3.33Å; I691-L695 PolarHBondContact O-N 2.79Å; I692-L695 PolarHBondContact O-N 3.32Å; L695-S697 VanDerWaalsContact C-N 3.3Å; L695-S697 PolarHBondContact O-N 3.28Å
696Y88.2Confident89.5Confident137 Ų13774.8 Ų74.854%0.53740%0.401SS..THydrogen-bonded Turntrans-84.61.8179.4-68.5-72.8000114I692 G698 T699 A700I692-Y696 HydrophobicContact CG2-CD2 3.83Å; I692-Y696 HydrophobicContact CG2-CE2 4.11Å; I692-Y696 WeakPolarHBondContact O-CD2 3.44Å; I692-Y696 PolarHBondContact O-N 2.94Å; Y696-G698 VanDerWaalsContact C-N 3.31Å; Y696-G698 PolarHBondContact O-N 2.98Å; Y696-T699 PolarHBondContact O-N 3.03Å; Y696-T699 VanDerWaalsContact O-N 3.12Å; Y696-A700 WeakPolarHBondContact O-CB 3.45Å; Y696-A700 PolarHBondContact O-N 3.39Å
697S88.8Confident89.8Confident67 Ų6777.5 Ų77.547%0.46941%0.406SS..Hα-helixtrans-55.2-40.6-17661.30000113.9Q693 R694 L695 R701Q693-S697 WeakPolarHBondContact O-CA 3.49Å; Q693-S697 WeakPolarHBondContact O-CB 3.45Å; Q693-S697 PolarHBondContact O-N 2.92Å; R694-S697 WeakPolarHBondContact O-CB 3.45Å; R694-S697 PolarHBondContact O-N 3.33Å; R694-S697 PolarHBondContact O-OG 2.87Å; L695-S697 VanDerWaalsContact C-N 3.3Å; L695-S697 PolarHBondContact O-N 3.28Å; S697-R701 VanDerWaalsContact O-CB 3.31Å; S697-R701 WeakPolarHBondContact O-CB 3.45Å; S697-R701 PolarHBondContact O-N 3.45Å
698G87.3Confident90.1Very high36 Ų3681.2 Ų81.237%0.37142%0.415SS..Hα-helixtrans-64.8-47.3175.800000112.7Y696 R701 Y702Y696-G698 VanDerWaalsContact C-N 3.31Å; Y696-G698 PolarHBondContact O-N 2.98Å; G698-R701 PolarHBondContact O-N 3.03Å; G698-Y702 WeakPolarHBondContact O-CB 3.32Å; G698-Y702 PolarHBondContact O-N 3.45Å
699T89.7Confident90.5Very high70 Ų7081.1 Ų81.143%0.42941%0.414SS..Hα-helixtrans-66.7-40.2178.6-45.40000111.9Y696 Y702 H703Y696-T699 PolarHBondContact O-N 3.03Å; Y696-T699 VanDerWaalsContact O-N 3.12Å; T699-Y702 WeakPolarHBondContact O-CB 3.19Å; T699-Y702 PolarHBondContact O-N 2.87Å; T699-H703 PolarHBondContact O-CD2 3.37Å; T699-H703 PolarHBondContact O-N 3.15Å
700A90.4Very high90.7Very high52 Ų5283.6 Ų83.643%0.4342%0.415SS..Hα-helixtrans-61.7-49.2173.800000110.8Y696 Y702 H703 T704Y696-A700 WeakPolarHBondContact O-CB 3.45Å; Y696-A700 PolarHBondContact O-N 3.39Å; A700-Y702 VanDerWaalsContact C-N 3.33Å; A700-Y702 PolarHBondContact O-N 3.35Å; A700-H703 PolarHBondContact O-N 2.85Å; A700-T704 PolarHBondContact O-N 2.8Å; A700-T704 PolarHBondContact O-OG1 3.24Å; A700-T704 VanDerWaalsContact O-OG1 3.07Å
701R91.3Very high91Very high126 Ų12685.9 Ų85.948%0.47542%0.417SS..Hα-helixtrans-60.7-40.9177-167.4-177172.5-154.3-6.8111.8S697 G698 T704 Q705 W734 G739S697-R701 VanDerWaalsContact O-CB 3.31Å; S697-R701 WeakPolarHBondContact O-CB 3.45Å; S697-R701 PolarHBondContact O-N 3.45Å; G698-R701 PolarHBondContact O-N 3.03Å; R701-T704 PolarHBondContact O-N 3.05Å; R701-Q705 WeakPolarHBondContact O-CG 3.31Å; R701-Q705 PolarHBondContact O-N 2.8Å; R701-W734 HydrophobicContact CB-CH2 4.11Å; R701-W734 HydrophobicContact CG-CH2 3.87Å; R701-G739 PolarHBondContact NH1-O 3.01Å
702Y92.9Very high91.5Very high52 Ų5289.3 Ų89.320%0.20443%0.431CS..Hα-helixtrans-55.7-52.8172.7170.1-110.6000111.5G698 T699 A700 T704 Q705 M706 F730 Q731 W734G698-Y702 WeakPolarHBondContact O-CB 3.32Å; G698-Y702 PolarHBondContact O-N 3.45Å; T699-Y702 WeakPolarHBondContact O-CB 3.19Å; T699-Y702 PolarHBondContact O-N 2.87Å; A700-Y702 VanDerWaalsContact C-N 3.33Å; A700-Y702 PolarHBondContact O-N 3.35Å; Y702-T704 PolarHBondContact O-N 3.37Å; Y702-Q705 PolarHBondContact O-N 3.48Å; Y702-M706 HydrophobicContact CE2-CE 4.25Å; Y702-M706 WeakPolarHBondContact O-CB 3.22Å; Y702-M706 PolarHBondContact O-N 3.41Å; Y702-M706 WeakPolarHBondContact OH-CE 3.32Å; Y702-F730 AromaticContact CD2-CE1 3.87Å; Y702-F730 HydrophobicContact CD2-CE1 3.87Å; Y702-F730 HydrophobicContact CE2-CD1 4.19Å; Y702-F730 AromaticContact CE2-CE1 3.73Å; Y702-F730 HydrophobicContact CE2-CE1 3.73Å; Y702-Q731 WeakPolarHBondContact OH-CG 3.34Å; Y702-W734 HydrophobicContact CD2-CB 4.2Å; Y702-W734 AromaticContact CD2-CD1 3.65Å; Y702-W734 AromaticContact CD2-CD2 3.72Å; Y702-W734 HydrophobicContact CD2-CD2 3.72Å; Y702-W734 AromaticContact CD2-CE2 3.94Å; Y702-W734 HydrophobicContact CD2-CE3 4.37Å; Y702-W734 AromaticContact CD2-CG 3.58Å; Y702-W734 HydrophobicContact CD2-CG 3.58Å; Y702-W734 AromaticContact CD2-NE1 3.87Å; Y702-W734 HydrophobicContact CE2-CB 4.34Å; Y702-W734 HydrophobicContact CE2-CG 4.17Å; Y702-W734 HydrophobicContact CG-CD2 4.45Å
703H93.2Very high91.9Very high102 Ų10285.9 Ų85.947%0.47241%0.413SS..Hα-helixtrans-63.2-41179.3-71.4-56.7000112.6T699 A700 Q705 M706 L707T699-H703 PolarHBondContact O-CD2 3.37Å; T699-H703 PolarHBondContact O-N 3.15Å; A700-H703 PolarHBondContact O-N 2.85Å; H703-Q705 PolarHBondContact O-N 3.37Å; H703-M706 PolarHBondContact O-N 3.47Å; H703-L707 WeakPolarHBondContact O-CB 3.27Å; H703-L707 VanDerWaalsContact O-CG 3.3Å; H703-L707 WeakPolarHBondContact O-CG 3.49Å; H703-L707 PolarHBondContact O-N 3.03Å
704T93.5Very high92.2Very high69 Ų6987.9 Ų87.942%0.42342%0.415SS..Hα-helixtrans-62.2-41175.9-54.40000112.5A700 R701 Y702 R708A700-T704 PolarHBondContact O-N 2.8Å; A700-T704 PolarHBondContact O-OG1 3.24Å; A700-T704 VanDerWaalsContact O-OG1 3.07Å; R701-T704 PolarHBondContact O-N 3.05Å; Y702-T704 PolarHBondContact O-N 3.37Å; T704-R708 WeakPolarHBondContact O-CG 3.44Å; T704-R708 PolarHBondContact O-N 2.91Å
705Q92.7Very high92.7Very high53 Ų5387.6 Ų87.625%0.24842%0.419CS..Hα-helixtrans-73-39.3176.3-61.8-47.9-40.900112.1R701 Y702 H703 L707 R708 V709 F730 W734R701-Q705 WeakPolarHBondContact O-CG 3.31Å; R701-Q705 PolarHBondContact O-N 2.8Å; Y702-Q705 PolarHBondContact O-N 3.48Å; H703-Q705 PolarHBondContact O-N 3.37Å; Q705-L707 VanDerWaalsContact C-N 3.29Å; Q705-L707 PolarHBondContact O-N 2.96Å; Q705-R708 VanDerWaalsContact NE2-NH1 3.15Å; Q705-R708 WeakPolarHBondContact O-CB 3.41Å; Q705-R708 PolarHBondContact O-N 3.5Å; Q705-V709 WeakPolarHBondContact O-CG2 3.39Å; Q705-V709 PolarHBondContact O-N 3.27Å; Q705-F730 HydrophobicContact CB-CE2 4.12Å; Q705-F730 HydrophobicContact CB-CZ 3.59Å; Q705-W734 HydrophobicContact CG-CZ3 4.3Å
706M92.5Very high93.2Very high4 Ų486.5 Ų86.52%0.0241%0.41CS..Hα-helixtrans-61.4-35.2174.2177.859.481.500112.3Y702 H703 V709 R710 F730 Q731Y702-M706 HydrophobicContact CE2-CE 4.25Å; Y702-M706 WeakPolarHBondContact O-CB 3.22Å; Y702-M706 PolarHBondContact O-N 3.41Å; Y702-M706 WeakPolarHBondContact OH-CE 3.32Å; H703-M706 PolarHBondContact O-N 3.47Å; M706-V709 PolarHBondContact O-N 2.78Å; M706-R710 WeakPolarHBondContact O-CB 3.28Å; M706-R710 WeakPolarHBondContact O-CG 3.46Å; M706-R710 PolarHBondContact O-N 2.89Å; M706-R710 HydrophobicContact SD-CG 4.3Å; M706-F730 HydrophobicContact CB-CE1 4.2Å; M706-F730 HydrophobicContact CE-CD1 3.62Å; M706-F730 HydrophobicContact CE-CE1 4.21Å; M706-F730 HydrophobicContact SD-CD1 4.39Å; M706-Q731 HydrophobicContact CE-CG 3.83Å
707L95.9Very high93.5Very high97 Ų9788.2 Ų88.251%0.50842%0.423SS..Hα-helixtrans-62.9-48.8172.6-76.6168.1000111.5H703 Q705 V709 R710 E711H703-L707 WeakPolarHBondContact O-CB 3.27Å; H703-L707 VanDerWaalsContact O-CG 3.3Å; H703-L707 WeakPolarHBondContact O-CG 3.49Å; H703-L707 PolarHBondContact O-N 3.03Å; Q705-L707 VanDerWaalsContact C-N 3.29Å; Q705-L707 PolarHBondContact O-N 2.96Å; L707-V709 VanDerWaalsContact C-N 3.3Å; L707-V709 PolarHBondContact O-N 2.61Å; L707-R710 CarbonylContact O-C 3.56Å; L707-R710 PolarHBondContact O-N 3.38Å; L707-E711 WeakPolarHBondContact O-CB 3.23Å; L707-E711 WeakPolarHBondContact O-CG 3.36Å; L707-E711 PolarHBondContact O-N 3.07Å
708R95.4Very high93.8Very high142 Ų14286.4 Ų86.454%0.53641%0.408SS..Hα-helixtrans-57.2-41.3175.1-67.2166.7176.1-167.1-7.9112.6T704 Q705 E711 F712T704-R708 WeakPolarHBondContact O-CG 3.44Å; T704-R708 PolarHBondContact O-N 2.91Å; Q705-R708 VanDerWaalsContact NE2-NH1 3.15Å; Q705-R708 WeakPolarHBondContact O-CB 3.41Å; Q705-R708 PolarHBondContact O-N 3.5Å; R708-E711 PolarHBondContact O-N 2.56Å; R708-F712 WeakPolarHBondContact O-CB 3.34Å; R708-F712 PolarHBondContact O-N 3.18Å
709V94.9Very high94.2Very high28 Ų2888.5 Ų88.517%0.1742%0.415CS..Hα-helixtrans-62.1-42.8175.51700000111Q705 M706 L707 F712 I713 L726 F730Q705-V709 WeakPolarHBondContact O-CG2 3.39Å; Q705-V709 PolarHBondContact O-N 3.27Å; M706-V709 PolarHBondContact O-N 2.78Å; L707-V709 VanDerWaalsContact C-N 3.3Å; L707-V709 PolarHBondContact O-N 2.61Å; V709-F712 PolarHBondContact O-N 3.3Å; V709-I713 HydrophobicContact CG1-CD1 3.99Å; V709-I713 WeakPolarHBondContact O-CD1 3.3Å; V709-I713 VanDerWaalsContact O-CG1 3.29Å; V709-I713 WeakPolarHBondContact O-CG1 3.49Å; V709-I713 PolarHBondContact O-N 3.31Å; V709-L726 HydrophobicContact CG1-CD2 3.88Å; V709-L726 HydrophobicContact CG1-CG 4.42Å; V709-F730 HydrophobicContact CG2-CD2 3.91Å; V709-F730 HydrophobicContact CG2-CE2 4.18Å; V709-F730 HydrophobicContact CG2-CG 4.33Å
710R94.2Very high94.3Very high107 Ų10790.9 Ų90.940%0.40443%0.425SS..Hα-helixtrans-71.2-32.1177.1-73.3171.7171.7171.8-0.2113.5M706 L707 R714 E727M706-R710 WeakPolarHBondContact O-CB 3.28Å; M706-R710 WeakPolarHBondContact O-CG 3.46Å; M706-R710 PolarHBondContact O-N 2.89Å; M706-R710 HydrophobicContact SD-CG 4.3Å; L707-R710 CarbonylContact O-C 3.56Å; L707-R710 PolarHBondContact O-N 3.38Å; R710-R714 WeakPolarHBondContact O-CB 3.46Å; R710-R714 PolarHBondContact O-N 2.87Å; R710-E727 IonicContact CZ-OE2 2.78Å; R710-E727 VanDerWaalsContact CZ-OE2 3.27Å; R710-E727 IonicContact NE-OE2 2.79Å; R710-E727 PolarHBondContact NE-OE2 3.15Å; R710-E727 IonicContact NH2-OE2 3.23Å; R710-E727 PolarHBondContact NH2-OE2 3.33Å
711E96.1Very high94.5Very high100 Ų10092.8 Ų92.847%0.46743%0.432SS..Hα-helixtrans-67.8-44.1172.3-74159.8-178.800110.9L707 R708 R714 F715L707-E711 WeakPolarHBondContact O-CB 3.23Å; L707-E711 WeakPolarHBondContact O-CG 3.36Å; L707-E711 PolarHBondContact O-N 3.07Å; R708-E711 PolarHBondContact O-N 2.56Å; E711-R714 PolarHBondContact O-N 3.08Å; E711-F715 VanDerWaalsContact O-CB 3.32Å; E711-F715 WeakPolarHBondContact O-CB 3.44Å; E711-F715 PolarHBondContact O-N 3.49Å
712F96.1Very high94.7Very high107 Ų10791.4 Ų91.447%0.46943%0.434SS..Hα-helixtrans-59.7-46.6172.8178.9-94.6000112.3R708 V709 R714 F715 H716 I718R708-F712 WeakPolarHBondContact O-CB 3.34Å; R708-F712 PolarHBondContact O-N 3.18Å; V709-F712 PolarHBondContact O-N 3.3Å; F712-R714 VanDerWaalsContact C-N 3.31Å; F712-R714 PolarHBondContact O-N 2.9Å; F712-F715 PolarHBondContact O-N 3.39Å; F712-H716 AromaticContact CD2-CD2 3.51Å; F712-H716 AromaticContact CD2-NE2 3.74Å; F712-H716 AromaticContact CE2-CD2 3.29Å; F712-H716 WeakPolarHBondContact CE2-CD2 3.29Å; F712-H716 AromaticContact CE2-NE2 3.33Å; F712-H716 VanDerWaalsContact CE2-NE2 3.33Å; F712-H716 WeakPolarHBondContact CE2-NE2 3.37Å; F712-H716 AromaticContact CZ-CD2 3.64Å; F712-H716 AromaticContact CZ-NE2 3.99Å; F712-H716 PolarHBondContact O-CD2 3.23Å; F712-H716 PolarHBondContact O-N 3.49Å; F712-I718 HydrophobicContact CD1-CD1 3.97Å; F712-I718 HydrophobicContact CE1-CD1 3.75Å
713I95.1Very high94.7Very high12 Ų1293.5 Ų93.56%0.06244%0.442CS..Hα-helixtrans-54.4-46.3172.5-75.8157.9000111.4V709 Q717 I718 R723 L726 E727V709-I713 HydrophobicContact CG1-CD1 3.99Å; V709-I713 WeakPolarHBondContact O-CD1 3.3Å; V709-I713 VanDerWaalsContact O-CG1 3.29Å; V709-I713 WeakPolarHBondContact O-CG1 3.49Å; V709-I713 PolarHBondContact O-N 3.31Å; I713-Q717 PolarHBondContact O-N 3.41Å; I713-I718 HydrophobicContact CG1-CD1 4.27Å; I713-I718 HydrophobicContact CG2-CB 4.38Å; I713-I718 PolarHBondContact O-N 3.32Å; I713-R723 HydrophobicContact CD1-CG 3.99Å; I713-R723 HydrophobicContact CG1-CG 4.38Å; I713-R723 HydrophobicContact CG2-CB 4.33Å; I713-R723 HydrophobicContact CG2-CG 3.81Å; I713-L726 HydrophobicContact CD1-CD2 3.87Å; I713-L726 HydrophobicContact CG1-CD2 3.73Å; I713-E727 HydrophobicContact CD1-CG 3.91Å
714R95.1Very high94.8Very high185 Ų18594.1 Ų94.170%0.69845%0.445SS*.Hα-helixtrans-68.5-43.8-178.6-173.4-170.7-64.8142.4-1.7111.8R710 E711 F712 Q717R710-R714 WeakPolarHBondContact O-CB 3.46Å; R710-R714 PolarHBondContact O-N 2.87Å; E711-R714 PolarHBondContact O-N 3.08Å; F712-R714 VanDerWaalsContact C-N 3.31Å; F712-R714 PolarHBondContact O-N 2.9Å; R714-Q717 PolarHBondContact O-N 2.95Å
715F97.1Very high94.9Very high165 Ų16599.3 Ų99.372%0.72446%0.456SS*.Hα-helixtrans-64.6-44.3-177.8-177.5-99.2000112.1E711 F712 Q717E711-F715 VanDerWaalsContact O-CB 3.32Å; E711-F715 WeakPolarHBondContact O-CB 3.44Å; E711-F715 PolarHBondContact O-N 3.49Å; F712-F715 PolarHBondContact O-N 3.39Å; F715-Q717 VanDerWaalsContact C-N 3.33Å
716H96.4Very high95Very high106 Ų10699.5 Ų99.549%0.49146%0.459SS..THydrogen-bonded Turntrans-88.27.3177.5-66.7-69.6000114.4F712 I718F712-H716 AromaticContact CD2-CD2 3.51Å; F712-H716 AromaticContact CD2-NE2 3.74Å; F712-H716 AromaticContact CE2-CD2 3.29Å; F712-H716 WeakPolarHBondContact CE2-CD2 3.29Å; F712-H716 AromaticContact CE2-NE2 3.33Å; F712-H716 VanDerWaalsContact CE2-NE2 3.33Å; F712-H716 WeakPolarHBondContact CE2-NE2 3.37Å; F712-H716 AromaticContact CZ-CD2 3.64Å; F712-H716 AromaticContact CZ-NE2 3.99Å; F712-H716 PolarHBondContact O-CD2 3.23Å; F712-H716 PolarHBondContact O-N 3.49Å; H716-I718 VanDerWaalsContact C-N 3.26Å; H716-I718 HydrophobicContact CB-CD1 4.38Å; H716-I718 HydrophobicContact CB-CG1 3.9Å; H716-I718 PolarHBondContact O-N 2.95Å
717Q96Very high95.1Very high173 Ų173100.2 Ų100.281%0.80846%0.462SS*.THydrogen-bonded Turntrans47.644.2-178.8-57-1707.800113.8I713 R714 F715I713-Q717 PolarHBondContact O-N 3.41Å; R714-Q717 PolarHBondContact O-N 2.95Å; F715-Q717 VanDerWaalsContact C-N 3.33Å
718I95.1Very high95.1Very high29 Ų29100.1 Ų100.115%0.14946%0.459CS..  trans-63.9128.2-170.8-60.9-173.9000110.9F712 I713 H716 L722 R723F712-I718 HydrophobicContact CD1-CD1 3.97Å; F712-I718 HydrophobicContact CE1-CD1 3.75Å; I713-I718 HydrophobicContact CG1-CD1 4.27Å; I713-I718 HydrophobicContact CG2-CB 4.38Å; I713-I718 PolarHBondContact O-N 3.32Å; H716-I718 VanDerWaalsContact C-N 3.26Å; H716-I718 HydrophobicContact CB-CD1 4.38Å; H716-I718 HydrophobicContact CB-CG1 3.9Å; H716-I718 PolarHBondContact O-N 2.95Å; I718-L722 HydrophobicContact CG2-CB 3.91Å; I718-L722 HydrophobicContact CG2-CD2 4Å; I718-L722 HydrophobicContact CG2-CG 3.88Å; I718-R723 HydrophobicContact CG2-CB 4.31Å
719P94.9Very high95.1Very high80 Ų80101.2 Ų101.252%0.51947%0.465SS..  trans-66.5145-176.426.8-35.6000112.5P721 L722 R723P719-P721 VanDerWaalsContact C-CD 3.48Å; P719-P721 VanDerWaalsContact O-N 3.14Å; P719-L722 HydrophobicContact CG-CB 4.43Å; P719-L722 PolarHBondContact O-N 2.78Å; P719-R723 PolarHBondContact O-N 2.76Å
720N92.2Very high95.1Very high120 Ų120101.8 Ų101.864%0.64247%0.465SS*.Hα-helixtrans-41.6-48.9-174.3-71.2-27.1000116.5L722 R723 Q724N720-L722 VanDerWaalsContact C-N 3.33Å; N720-L722 PolarHBondContact O-N 2.79Å; N720-R723 WeakPolarHBondContact O-CB 3.35Å; N720-R723 PolarHBondContact O-N 2.89Å; N720-Q724 PolarHBondContact O-N 3.45Å
721P94.9Very high95.1Very high91 Ų91101 Ų10159%0.59147%0.466SS*.Hα-helixtrans-66.6-29.8-179.525.4-35.5000114P719 R725P719-P721 VanDerWaalsContact C-CD 3.48Å; P719-P721 VanDerWaalsContact O-N 3.14Å; P721-R725 WeakPolarHBondContact O-CG 3.49Å
722L94.2Very high95Very high97 Ų97102.1 Ų102.151%0.50847%0.471SS..Hα-helixtrans-81.4-38.1174.4-176.957.5000110.9I718 P719 N720 Q724 R725 L726I718-L722 HydrophobicContact CG2-CB 3.91Å; I718-L722 HydrophobicContact CG2-CD2 4Å; I718-L722 HydrophobicContact CG2-CG 3.88Å; P719-L722 HydrophobicContact CG-CB 4.43Å; P719-L722 PolarHBondContact O-N 2.78Å; N720-L722 VanDerWaalsContact C-N 3.33Å; N720-L722 PolarHBondContact O-N 2.79Å; L722-Q724 PolarHBondContact O-N 3.01Å; L722-R725 PolarHBondContact O-N 3.29Å; L722-L726 PolarHBondContact O-N 3.33Å
723R93.8Very high94.9Very high97 Ų9798.3 Ų98.337%0.36646%0.459SS..Hα-helixtrans-55.6-49.2172.7171.3-177.9174.4-155.1-11.8111.9I713 I718 P719 N720 L726 E727I713-R723 HydrophobicContact CD1-CG 3.99Å; I713-R723 HydrophobicContact CG1-CG 4.38Å; I713-R723 HydrophobicContact CG2-CB 4.33Å; I713-R723 HydrophobicContact CG2-CG 3.81Å; I718-R723 HydrophobicContact CG2-CB 4.31Å; P719-R723 PolarHBondContact O-N 2.76Å; N720-R723 WeakPolarHBondContact O-CB 3.35Å; N720-R723 PolarHBondContact O-N 2.89Å; R723-L726 WeakPolarHBondContact O-CB 3.33Å; R723-L726 PolarHBondContact O-N 3.38Å; R723-L726 VanDerWaalsContact O-N 3.15Å; R723-E727 IonicContact CZ-OE1 3.34Å; R723-E727 VanDerWaalsContact CZ-OE1 3.23Å; R723-E727 IonicContact NE-OE1 3.99Å; R723-E727 PolarHBondContact NE-OE1 2.81Å; R723-E727 IonicContact NH2-OE1 2.76Å; R723-E727 PolarHBondContact NH2-OE1 3.14Å; R723-E727 PolarHBondContact O-N 2.9Å
724Q94.6Very high94.8Very high115 Ų11599.8 Ų99.854%0.53746%0.464SS..Hα-helixtrans-59.3-50.1-179.1176.9172.1-7.800110.9N720 L722 L726 E727 E728N720-Q724 PolarHBondContact O-N 3.45Å; L722-Q724 PolarHBondContact O-N 3.01Å; Q724-L726 PolarHBondContact O-N 3.06Å; Q724-E727 PolarHBondContact O-N 3.45Å; Q724-E728 HydrophobicContact CG-CG 4.25Å; Q724-E728 WeakPolarHBondContact CG-OE1 3.2Å; Q724-E728 PolarHBondContact NE2-OE1 2.88Å; Q724-E728 WeakPolarHBondContact O-CB 3.35Å; Q724-E728 WeakPolarHBondContact O-CG 3.27Å; Q724-E728 PolarHBondContact O-N 2.97Å
725R96.1Very high94.7Very high177 Ų17794.6 Ų94.667%0.66846%0.456SS*.Hα-helixtrans-56.1-36.4175.3-69.6174.1178.5-174-0.2112.8P721 L722 Y729P721-R725 WeakPolarHBondContact O-CG 3.49Å; L722-R725 PolarHBondContact O-N 3.29Å; R725-Y729 WeakPolarHBondContact O-CB 3.34Å; R725-Y729 PolarHBondContact O-N 3.06Å
726L94.8Very high94.5Very high58 Ų5895.7 Ų95.730%0.30446%0.457SS..Hα-helixtrans-70.4-45.6177.5-159.884.5000112.2V709 I713 L722 R723 Q724 F730V709-L726 HydrophobicContact CG1-CD2 3.88Å; V709-L726 HydrophobicContact CG1-CG 4.42Å; I713-L726 HydrophobicContact CD1-CD2 3.87Å; I713-L726 HydrophobicContact CG1-CD2 3.73Å; L722-L726 PolarHBondContact O-N 3.33Å; R723-L726 WeakPolarHBondContact O-CB 3.33Å; R723-L726 PolarHBondContact O-N 3.38Å; R723-L726 VanDerWaalsContact O-N 3.15Å; Q724-L726 PolarHBondContact O-N 3.06Å; L726-F730 WeakPolarHBondContact O-CB 3.29Å; L726-F730 PolarHBondContact O-N 3.27Å
727E94.6Very high94.2Very high18 Ų1892.4 Ų92.48%0.08444%0.444CS..Hα-helixtrans-66.8-36.8176.9-69.7-164.8-124.800111.7R710 I713 R723 Q724 Q731R710-E727 IonicContact CZ-OE2 2.78Å; R710-E727 VanDerWaalsContact CZ-OE2 3.27Å; R710-E727 IonicContact NE-OE2 2.79Å; R710-E727 PolarHBondContact NE-OE2 3.15Å; R710-E727 IonicContact NH2-OE2 3.23Å; R710-E727 PolarHBondContact NH2-OE2 3.33Å; I713-E727 HydrophobicContact CD1-CG 3.91Å; R723-E727 IonicContact CZ-OE1 3.34Å; R723-E727 VanDerWaalsContact CZ-OE1 3.23Å; R723-E727 IonicContact NE-OE1 3.99Å; R723-E727 PolarHBondContact NE-OE1 2.81Å; R723-E727 IonicContact NH2-OE1 2.76Å; R723-E727 PolarHBondContact NH2-OE1 3.14Å; R723-E727 PolarHBondContact O-N 2.9Å; Q724-E727 PolarHBondContact O-N 3.45Å; E727-Q731 WeakPolarHBondContact O-CB 3.3Å; E727-Q731 VanDerWaalsContact O-CG 3.28Å; E727-Q731 WeakPolarHBondContact O-CG 3.46Å; E727-Q731 PolarHBondContact O-N 3.02Å; E727-Q731 VanDerWaalsContact O-N 3.15Å; E727-Q731 PolarHBondContact O-NE2 2.97Å
728E95.2Very high93.9Very high96 Ų9690 Ų9045%0.44944%0.436SS..Hα-helixtrans-68.8-48.7174.8-73.4170172.600112.2Q724 F730 Q731 H732Q724-E728 HydrophobicContact CG-CG 4.25Å; Q724-E728 WeakPolarHBondContact CG-OE1 3.2Å; Q724-E728 PolarHBondContact NE2-OE1 2.88Å; Q724-E728 WeakPolarHBondContact O-CB 3.35Å; Q724-E728 WeakPolarHBondContact O-CG 3.27Å; Q724-E728 PolarHBondContact O-N 2.97Å; E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 3.41Å; E728-Q731 PolarHBondContact O-N 3.34Å; E728-H732 WeakPolarHBondContact O-CB 3.26Å; E728-H732 PolarHBondContact O-N 3.46Å
729Y95Very high93.4Very high165 Ų16588.9 Ų88.965%0.64743%0.432SS*.Hα-helixtrans-59-43.2177.1173.8-99.3000111.5R725 H732 A733R725-Y729 WeakPolarHBondContact O-CB 3.34Å; R725-Y729 PolarHBondContact O-N 3.06Å; Y729-H732 PolarHBondContact O-N 3.4Å; Y729-A733 HydrophobicContact CE1-CB 4.48Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.18Å
730F95Very high93.1Very high40 Ų4089.2 Ų89.218%0.17543%0.429CS..Hα-helixtrans-63.7-42.6177.1-176.6-90000112.2Y702 Q705 M706 V709 L726 E728 W734Y702-F730 AromaticContact CD2-CE1 3.87Å; Y702-F730 HydrophobicContact CD2-CE1 3.87Å; Y702-F730 HydrophobicContact CE2-CD1 4.19Å; Y702-F730 AromaticContact CE2-CE1 3.73Å; Y702-F730 HydrophobicContact CE2-CE1 3.73Å; Q705-F730 HydrophobicContact CB-CE2 4.12Å; Q705-F730 HydrophobicContact CB-CZ 3.59Å; M706-F730 HydrophobicContact CB-CE1 4.2Å; M706-F730 HydrophobicContact CE-CD1 3.62Å; M706-F730 HydrophobicContact CE-CE1 4.21Å; M706-F730 HydrophobicContact SD-CD1 4.39Å; V709-F730 HydrophobicContact CG2-CD2 3.91Å; V709-F730 HydrophobicContact CG2-CE2 4.18Å; V709-F730 HydrophobicContact CG2-CG 4.33Å; L726-F730 WeakPolarHBondContact O-CB 3.29Å; L726-F730 PolarHBondContact O-N 3.27Å; E728-F730 VanDerWaalsContact C-N 3.31Å; E728-F730 PolarHBondContact O-N 3.41Å; F730-W734 HydrophobicContact CE1-CE3 4.39Å; F730-W734 AromaticContact CZ-CE3 3.84Å; F730-W734 HydrophobicContact CZ-CE3 3.84Å; F730-W734 HydrophobicContact CZ-CZ3 4.4Å; F730-W734 VanDerWaalsContact O-CB 3.27Å; F730-W734 WeakPolarHBondContact O-CB 3.46Å; F730-W734 PolarHBondContact O-N 2.88Å
731Q94.6Very high92.9Very high90 Ų9087.5 Ų87.542%0.42142%0.42SS..Hα-helixtrans-61.7-47.5175.2-78.8170.476.600112Y702 M706 E727 E728 W734 S735Y702-Q731 WeakPolarHBondContact OH-CG 3.34Å; M706-Q731 HydrophobicContact CE-CG 3.83Å; E727-Q731 WeakPolarHBondContact O-CB 3.3Å; E727-Q731 VanDerWaalsContact O-CG 3.28Å; E727-Q731 WeakPolarHBondContact O-CG 3.46Å; E727-Q731 PolarHBondContact O-N 3.02Å; E727-Q731 VanDerWaalsContact O-N 3.15Å; E727-Q731 PolarHBondContact O-NE2 2.97Å; E728-Q731 PolarHBondContact O-N 3.34Å; Q731-W734 PolarHBondContact O-N 2.76Å; Q731-S735 WeakPolarHBondContact O-CB 3.39Å; Q731-S735 PolarHBondContact O-N 2.81Å; Q731-S735 PolarHBondContact O-OG 2.95Å
732H95.1Very high92.5Very high123 Ų12388.2 Ų88.257%0.56942%0.417SS*.Hα-helixtrans-60.9-53.6177.3178.6-100.2000111.4E728 Y729 W734 S735 Y736E728-H732 WeakPolarHBondContact O-CB 3.26Å; E728-H732 PolarHBondContact O-N 3.46Å; Y729-H732 PolarHBondContact O-N 3.4Å; H732-W734 VanDerWaalsContact C-N 3.28Å; H732-W734 PolarHBondContact O-N 3.41Å; H732-S735 PolarHBondContact O-N 2.94Å; H732-S735 VanDerWaalsContact O-N 3.13Å; H732-S735 PolarHBondContact O-OG 3.12Å; H732-Y736 WeakPolarHBondContact O-CB 3.44Å; H732-Y736 PolarHBondContact O-N 2.99Å
733A92.8Very high92Very high27 Ų2789.5 Ų89.522%0.22342%0.424CS..Hα-helixtrans-58.6-37.8178.600000112.5Y729 T737Y729-A733 HydrophobicContact CE1-CB 4.48Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.18Å; A733-T737 WeakPolarHBondContact O-CB 3.25Å; A733-T737 WeakPolarHBondContact O-CG2 3.48Å; A733-T737 PolarHBondContact O-N 2.88Å; A733-T737 PolarHBondContact O-OG1 3.35Å
734W93.6Very high91.6Very high43 Ų4386.5 Ų86.516%0.16342%0.42CS..Hα-helixtrans-68.1-44.4174.8-169.2-82.9000112.3R701 Y702 Q705 F730 Q731 H732 Y736 T737 N738R701-W734 HydrophobicContact CB-CH2 4.11Å; R701-W734 HydrophobicContact CG-CH2 3.87Å; Y702-W734 HydrophobicContact CD2-CB 4.2Å; Y702-W734 AromaticContact CD2-CD1 3.65Å; Y702-W734 AromaticContact CD2-CD2 3.72Å; Y702-W734 HydrophobicContact CD2-CD2 3.72Å; Y702-W734 AromaticContact CD2-CE2 3.94Å; Y702-W734 HydrophobicContact CD2-CE3 4.37Å; Y702-W734 AromaticContact CD2-CG 3.58Å; Y702-W734 HydrophobicContact CD2-CG 3.58Å; Y702-W734 AromaticContact CD2-NE1 3.87Å; Y702-W734 HydrophobicContact CE2-CB 4.34Å; Y702-W734 HydrophobicContact CE2-CG 4.17Å; Y702-W734 HydrophobicContact CG-CD2 4.45Å; Q705-W734 HydrophobicContact CG-CZ3 4.3Å; F730-W734 HydrophobicContact CE1-CE3 4.39Å; F730-W734 AromaticContact CZ-CE3 3.84Å; F730-W734 HydrophobicContact CZ-CE3 3.84Å; F730-W734 HydrophobicContact CZ-CZ3 4.4Å; F730-W734 VanDerWaalsContact O-CB 3.27Å; F730-W734 WeakPolarHBondContact O-CB 3.46Å; F730-W734 PolarHBondContact O-N 2.88Å; Q731-W734 PolarHBondContact O-N 2.76Å; H732-W734 VanDerWaalsContact C-N 3.28Å; H732-W734 PolarHBondContact O-N 3.41Å; W734-Y736 VanDerWaalsContact C-N 3.3Å; W734-Y736 PolarHBondContact O-N 3.2Å; W734-T737 PolarHBondContact O-N 3.01Å; W734-N738 WeakPolarHBondContact O-CA 3.42Å; W734-N738 PolarHBondContact O-N 3.21Å
735S92.4Very high91.1Very high77 Ų7784.8 Ų84.854%0.53842%0.417SS..Hα-helixtrans-62.5-36.6177.672.20000112.7Q731 H732Q731-S735 WeakPolarHBondContact O-CB 3.39Å; Q731-S735 PolarHBondContact O-N 2.81Å; Q731-S735 PolarHBondContact O-OG 2.95Å; H732-S735 PolarHBondContact O-N 2.94Å; H732-S735 VanDerWaalsContact O-N 3.13Å; H732-S735 PolarHBondContact O-OG 3.12Å
736Y93.1Very high90.1Very high188 Ų18879 Ų7974%0.73740%0.404SS*.Hα-helixtrans-72.6-41177.4-175.3-103.3000113.2H732 W734H732-Y736 WeakPolarHBondContact O-CB 3.44Å; H732-Y736 PolarHBondContact O-N 2.99Å; W734-Y736 VanDerWaalsContact C-N 3.3Å; W734-Y736 PolarHBondContact O-N 3.2Å
737T91.1Very high89.3Confident37 Ų3780.9 Ų80.923%0.22742%0.422CS..Hα-helixtrans-93.7-12.6-176.859.40000114.5A733 W734 G739 I740 M742A733-T737 WeakPolarHBondContact O-CB 3.25Å; A733-T737 WeakPolarHBondContact O-CG2 3.48Å; A733-T737 PolarHBondContact O-N 2.88Å; A733-T737 PolarHBondContact O-OG1 3.35Å; W734-T737 PolarHBondContact O-N 3.01Å; T737-G739 PolarHBondContact O-N 3.42Å; T737-G739 VanDerWaalsContact O-N 3.16Å; T737-G739 PolarHBondContact OG1-N 3.42Å; T737-I740 VanDerWaalsContact O-CB 3.31Å; T737-I740 WeakPolarHBondContact O-CB 3.48Å; T737-I740 WeakPolarHBondContact O-CG1 3.2Å; T737-I740 PolarHBondContact O-N 2.78Å; T737-M742 HydrophobicContact CG2-CE 4.41Å
738N88.1Confident88.3Confident121 Ų12187.7 Ų87.765%0.64745%0.453SS*.THydrogen-bonded Turntrans51.725.1-164.2-67.1-83.2000113.9W734 I740W734-N738 WeakPolarHBondContact O-CA 3.42Å; W734-N738 PolarHBondContact O-N 3.21Å; N738-I740 VanDerWaalsContact C-N 3.29Å; N738-I740 PolarHBondContact O-N 3.44Å
739G85.7Confident87.3Confident6 Ų685 Ų856%0.06245%0.447CS..THydrogen-bonded Turntrans73.914.6-174.800000114.8R701 T737R701-G739 PolarHBondContact NH1-O 3.01Å; T737-G739 PolarHBondContact O-N 3.42Å; T737-G739 VanDerWaalsContact O-N 3.16Å; T737-G739 PolarHBondContact OG1-N 3.42Å
740I89.4Confident85.8Confident88 Ų8883 Ų8345%0.45146%0.455SS..  trans-85.2128.6177.2-57.1173.9000109.5T737 N738 M742 V745T737-I740 VanDerWaalsContact O-CB 3.31Å; T737-I740 WeakPolarHBondContact O-CB 3.48Å; T737-I740 WeakPolarHBondContact O-CG1 3.2Å; T737-I740 PolarHBondContact O-N 2.78Å; N738-I740 VanDerWaalsContact C-N 3.29Å; N738-I740 PolarHBondContact O-N 3.44Å; I740-M742 HydrophobicContact CB-CE 4.44Å; I740-M742 HydrophobicContact CG2-SD 4.48Å; I740-M742 PolarHBondContact O-N 2.84Å; I740-V745 HydrophobicContact CG2-CG2 3.72Å
741D86.9Confident83.8Confident83 Ų8384.7 Ų84.744%0.44447%0.471SS..  trans-81.5108.2170177.9-7000109.5N743 A744 V745D741-N743 VanDerWaalsContact C-N 3.26Å; D741-N743 PolarHBondContact O-N 3.4Å; D741-N743 WeakPolarHBondContact OD1-CA 3.39Å; D741-N743 WeakPolarHBondContact OD1-CB 3.45Å; D741-N743 PolarHBondContact OD1-N 3.38Å; D741-A744 HydrophobicContact CB-CB 3.89Å; D741-A744 PolarHBondContact O-N 2.89Å; D741-A744 PolarHBondContact OD1-N 3.38Å; D741-A744 VanDerWaalsContact OD1-N 3.15Å; D741-A744 WeakPolarHBondContact OD2-CB 3.25Å; D741-V745 WeakPolarHBondContact O-CG2 3.36Å; D741-V745 PolarHBondContact O-N 3.01Å
742M85.7Confident81.6Confident107 Ų10786.6 Ų86.653%0.52748%0.483SS..Hα-helixtrans-65.5-28.3-178.7-58.3-61.9171.200112.7T737 I740 S746T737-M742 HydrophobicContact CG2-CE 4.41Å; I740-M742 HydrophobicContact CB-CE 4.44Å; I740-M742 HydrophobicContact CG2-SD 4.48Å; I740-M742 PolarHBondContact O-N 2.84Å; M742-S746 WeakPolarHBondContact O-CB 3.35Å; M742-S746 PolarHBondContact O-N 2.99Å
743N85.3Confident79.3Confident123 Ų12383.9 Ų83.966%0.65848%0.477SS*.Hα-helixtrans-76.2-41.7178.2-66.2-25.2000110.6D741 V745 S746 S747D741-N743 VanDerWaalsContact C-N 3.26Å; D741-N743 PolarHBondContact O-N 3.4Å; D741-N743 WeakPolarHBondContact OD1-CA 3.39Å; D741-N743 WeakPolarHBondContact OD1-CB 3.45Å; D741-N743 PolarHBondContact OD1-N 3.38Å; N743-V745 VanDerWaalsContact C-N 3.31Å; N743-V745 PolarHBondContact O-N 3.48Å; N743-S746 PolarHBondContact O-N 3.21Å; N743-S746 VanDerWaalsContact O-N 3.16Å; N743-S747 PolarHBondContact O-N 2.9Å; N743-S747 PolarHBondContact O-OG 2.71Å
744A84.1Confident77.1Confident35 Ų3587 Ų8729%0.28949%0.49SS..Hα-helixtrans-65.3-32173.900000113D741 S747 Q748D741-A744 HydrophobicContact CB-CB 3.89Å; D741-A744 PolarHBondContact O-N 2.89Å; D741-A744 PolarHBondContact OD1-N 3.38Å; D741-A744 VanDerWaalsContact OD1-N 3.15Å; D741-A744 WeakPolarHBondContact OD2-CB 3.25Å; A744-S747 PolarHBondContact O-OG 3.48Å; A744-S747 VanDerWaalsContact O-OG 3.14Å; A744-Q748 WeakPolarHBondContact O-CG 3.38Å
745V84.4Confident74.7Confident79 Ų7989.1 Ų89.148%0.47951%0.507SS..Hα-helixtrans-70.4-41.9169.8173.40000110.8I740 D741 N743 S747 Q748I740-V745 HydrophobicContact CG2-CG2 3.72Å; D741-V745 WeakPolarHBondContact O-CG2 3.36Å; D741-V745 PolarHBondContact O-N 3.01Å; N743-V745 VanDerWaalsContact C-N 3.31Å; N743-V745 PolarHBondContact O-N 3.48Å; V745-S747 VanDerWaalsContact C-N 3.29Å; V745-S747 PolarHBondContact O-N 3.02Å; V745-Q748 PolarHBondContact O-N 3.03Å
746S75.8Confident72.4Confident55 Ų5594.4 Ų94.439%0.38552%0.515SS..Hα-helixtrans-67.7-23.8179.3-1720000114.1M742 N743M742-S746 WeakPolarHBondContact O-CB 3.35Å; M742-S746 PolarHBondContact O-N 2.99Å; N743-S746 PolarHBondContact O-N 3.21Å; N743-S746 VanDerWaalsContact O-N 3.16Å
747S77.4Confident70.1Confident97 Ų9788.9 Ų88.968%0.67851%0.508SS*.Hα-helixtrans-85.2-19.8176.462.20000113.7N743 A744 V745N743-S747 PolarHBondContact O-N 2.9Å; N743-S747 PolarHBondContact O-OG 2.71Å; A744-S747 PolarHBondContact O-OG 3.48Å; A744-S747 VanDerWaalsContact O-OG 3.14Å; V745-S747 VanDerWaalsContact C-N 3.29Å; V745-S747 PolarHBondContact O-N 3.02Å
748Q73.8Confident67.7Low161 Ų16197.6 Ų97.675%0.75254%0.537SS*.Hα-helixtrans-80.2-17173.6-70.4173.320.100113.1A744 V745A744-Q748 WeakPolarHBondContact O-CG 3.38Å; V745-Q748 PolarHBondContact O-N 3.03Å
749A73.4Confident65.4Low39 Ų3998.2 Ų98.232%0.32254%0.539SS..SBendtrans-86.2121.8177.200000111.1C751A749-C751 PolarHBondContact O-N 3.02Å
750P64.4Low62.8Low123 Ų123102.7 Ų102.780%0.79957%0.566SS**SBendtrans-65.5111.117925.2-33000111.6I752P750-I752 PolarHBondContact O-N 3.37Å
751C52.3Low60.6Low77 Ų77104.4 Ų104.452%0.5258%0.583SS.*SBendtrans54.934.2161.4-690000119.3A749 I754A749-C751 PolarHBondContact O-N 3.02Å; C751-I754 HydrophobicContact CB-CD1 3.75Å; C751-I754 HydrophobicContact CB-CG1 3.92Å
752I50Low58.3Low129 Ų129109.6 Ų109.666%0.66263%0.625SS**SBendtrans-65.5-25.6149.3-65.8176.8000110.1P750 I754 V755P750-I752 PolarHBondContact O-N 3.37Å; I752-I754 VanDerWaalsContact C-N 3.29Å; I752-I754 PolarHBondContact O-N 2.83Å; I752-V755 PolarHBondContact O-N 3.39Å
753S46.2Very low56.9Low66 Ų66109.7 Ų109.746%0.46263%0.63SS.*Hα-helixtrans-58.1-29.917643.40000114.9V755 R756 A757S753-V755 VanDerWaalsContact C-N 3.32Å; S753-V755 PolarHBondContact O-N 3.17Å; S753-R756 WeakPolarHBondContact O-CB 3.32Å; S753-R756 PolarHBondContact O-N 3.07Å; S753-R756 VanDerWaalsContact O-N 3.15Å; S753-A757 PolarHBondContact O-N 3.13Å
754I45.5Very low55.4Low94 Ų94109 Ų10948%0.48263%0.629SS.*Hα-helixtrans-62.9-39.9177.4-65.6-179.8000111C751 I752 R756 A757 W758C751-I754 HydrophobicContact CB-CD1 3.75Å; C751-I754 HydrophobicContact CB-CG1 3.92Å; I752-I754 VanDerWaalsContact C-N 3.29Å; I752-I754 PolarHBondContact O-N 2.83Å; I754-R756 PolarHBondContact O-N 3.32Å; I754-A757 PolarHBondContact O-N 2.91Å; I754-A757 VanDerWaalsContact O-N 3.13Å; I754-W758 PolarHBondContact O-N 3.2Å
755V44.8Very low53.8Low86 Ų86113.1 Ų113.152%0.52165%0.648SS.*Hα-helixtrans-63.3-29178.6-176.80000111.3I752 S753 W758 L759I752-V755 PolarHBondContact O-N 3.39Å; S753-V755 VanDerWaalsContact C-N 3.32Å; S753-V755 PolarHBondContact O-N 3.17Å; V755-W758 PolarHBondContact O-N 3.49Å; V755-L759 HydrophobicContact CG1-CD1 3.89Å; V755-L759 WeakPolarHBondContact O-CG 3.26Å; V755-L759 PolarHBondContact O-N 3.35Å
756R43.2Very low52Low189 Ų189115.1 Ų115.171%0.71366%0.658SS**Hα-helixtrans-71.9-32.4177.4-150.7176.4-160.5166.24.9112.7S753 I754 W758 L759S753-R756 WeakPolarHBondContact O-CB 3.32Å; S753-R756 PolarHBondContact O-N 3.07Å; S753-R756 VanDerWaalsContact O-N 3.15Å; I754-R756 PolarHBondContact O-N 3.32Å; R756-W758 VanDerWaalsContact C-N 3.33Å; R756-L759 PolarHBondContact O-N 3.22Å
757A44.6Very low50.5Low71 Ų71118.9 Ų118.959%0.58768%0.675SS**Hα-helixtrans-74-22.617600000113.3S753 I754 T760S753-A757 PolarHBondContact O-N 3.13Å; I754-A757 PolarHBondContact O-N 2.91Å; I754-A757 VanDerWaalsContact O-N 3.13Å; A757-T760 PolarHBondContact O-OG1 2.72Å
758W40.5Very low48.7Very low220 Ų220120.3 Ų120.383%0.83367%0.674SS**THydrogen-bonded Turntrans-90-8.4174.9-81.686.3000114.2I754 V755 R756I754-W758 PolarHBondContact O-N 3.2Å; V755-W758 PolarHBondContact O-N 3.49Å; R756-W758 VanDerWaalsContact C-N 3.33Å
759L40.1Very low46.9Very low134 Ų134117.4 Ų117.470%0.70267%0.669SS**SBendtrans-112.15-178.5-72.7175.7000114.1V755 R756 P761V755-L759 HydrophobicContact CG1-CD1 3.89Å; V755-L759 WeakPolarHBondContact O-CG 3.26Å; V755-L759 PolarHBondContact O-N 3.35Å; R756-L759 PolarHBondContact O-N 3.22Å; L759-P761 VanDerWaalsContact O-CD 3.23Å; L759-P761 WeakPolarHBondContact O-CD 3.31Å
760T32.1Very low44.9Very low100 Ų100123.5 Ų123.561%0.61370%0.696SS**  trans-91.7101.9163.246.10000109.1A757A757-T760 PolarHBondContact O-OG1 2.72Å
761P41.9Very low43.3Very low124 Ų124123.5 Ų123.581%0.80569%0.687SS**  trans-63.1140.2164.328.9-33.8000109.2L759L759-P761 VanDerWaalsContact O-CD 3.23Å; L759-P761 WeakPolarHBondContact O-CD 3.31Å
762S38.3Very low42.5Very low192 Ų192127.7 Ų127.7100%1.34370%0.702SS**  trans-760171.957.50000111.7

Retrieved 762 of 762 residues in 1050.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).