A0A087XL04_POEFO Loading...

Tetraspanin

Part of TspanC8 subgroup, composed of 6 members that interact with the transmembrane metalloprotease ADAM10. This interaction is required for ADAM10 exit from the endoplasmic reticulum and for enzymatic maturation and trafficking to the cell surface as well as substrate specificity. Different TspanC8/ADAM10 complexes have distinct substrates.

AlphaFold DB , UniProt , Accession A0A087XL04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1P47.5Very low55.2Low182 Ų182127.2 Ų127.2100%1.18265%0.653SS**  093.7022.1-0.1000111R3P1-R3 PolarHBondContact O-N 2.93Å; P1-R3 VanDerWaalsContact O-N 3.16Å
2T46.4Very low57.2Low134 Ų134126.8 Ų126.882%0.82265%0.652SS**  trans-65.5106.5170.733.90000108.4I4T2-I4 VanDerWaalsContact C-N 3.29Å; T2-I4 PolarHBondContact O-N 3.16Å
3R50.7Low59.1Low232 Ų232125.7 Ų125.788%0.87565%0.645SS**  trans-70.290.8171.5-175.4-177.5-89.8-176.8-5.8107P1 R5P1-R3 PolarHBondContact O-N 2.93Å; P1-R3 VanDerWaalsContact O-N 3.16Å; R3-R5 PolarHBondContact O-N 3.45Å
4I53.3Low60.7Low146 Ų146118.2 Ų118.275%0.74961%0.607SS**  trans-60.1102.4169.3-58.9172.1000105.6T2 P6T2-I4 VanDerWaalsContact C-N 3.29Å; T2-I4 PolarHBondContact O-N 3.16Å; I4-P6 VanDerWaalsContact O-CD 3.28Å; I4-P6 WeakPolarHBondContact O-CD 3.35Å
5R51.6Low62.3Low156 Ų156117.3 Ų117.359%0.58959%0.593SS**  trans-67.6118.4167.5-74.7-168.1-164.4-161.710.1106.1R3 H7 H266 A267R3-R5 PolarHBondContact O-N 3.45Å; R5-H7 PolarHBondContact O-N 3.17Å; R5-H266 PolarHBondContact NH1-O 2.88Å; R5-H266 VanDerWaalsContact NH1-O 3.07Å; R5-A267 VanDerWaalsContact NH1-C 3.29Å; R5-A267 PolarHBondContact NH1-O 3.09Å
6P51.1Low63.9Low80 Ų80118.3 Ų118.352%0.51959%0.593SS.*  trans-63.1112.3168.725.8-29.7000106.9I4 Y8I4-P6 VanDerWaalsContact O-CD 3.28Å; I4-P6 WeakPolarHBondContact O-CD 3.35Å; P6-Y8 PolarHBondContact O-N 3.08Å
7H48.1Very low65.3Low182 Ų182114.2 Ų114.284%0.84357%0.573SS**  trans-72.589.1171.4-152-66.4000106.1R5 S9R5-H7 PolarHBondContact O-N 3.17Å; H7-S9 PolarHBondContact O-N 3.08Å; H7-S9 VanDerWaalsContact O-N 3.08Å
8Y54.3Low66.5Low97 Ų97109.1 Ų109.138%0.3855%0.547SS..  trans-63.9114174.7-143.6-99.7000106.1P6 R262 H263P6-Y8 PolarHBondContact O-N 3.08Å; Y8-R262 PolarHBondContact OH-NH2 2.92Å; Y8-R262 VanDerWaalsContact OH-NH2 3.08Å; Y8-H263 PolarHBondContact O-CE1 3.15Å
9S60.8Low67.8Low93 Ų93110.5 Ų110.565%0.6555%0.546SS*.PPolyproline II helixtrans-97.6140.4172.5-170.20000107H7 S11H7-S9 PolarHBondContact O-N 3.08Å; H7-S9 VanDerWaalsContact O-N 3.08Å; S9-S11 PolarHBondContact O-N 3.01Å; S9-S11 VanDerWaalsContact O-N 3.17Å
10Y65.2Low68.9Low33 Ų33110.2 Ų110.213%0.12954%0.541CS..PPolyproline II helixtrans-54.9124.1174.6-87.5-91.8000108.9D14 Y15 N259 H263Y10-D14 HydrophobicContact CD1-CB 3.67Å; Y10-D14 HydrophobicContact CE1-CB 4.38Å; Y10-Y15 HydrophobicContact CG-CE2 4.23Å; Y10-N259 HydrophobicContact CE1-CB 4.48Å; Y10-H263 AromaticContact CD2-CE1 3.65Å; Y10-H263 AromaticContact CD2-NE2 3.36Å; Y10-H263 WeakPolarHBondContact CD2-NE2 3.13Å; Y10-H263 AromaticContact CE2-CD2 3.49Å; Y10-H263 VanDerWaalsContact CE2-CD2 3.49Å; Y10-H263 WeakPolarHBondContact CE2-CD2 3.22Å; Y10-H263 AromaticContact CE2-CE1 3.68Å; Y10-H263 AromaticContact CE2-NE2 3.27Å; Y10-H263 VanDerWaalsContact CE2-NE2 3.27Å; Y10-H263 WeakPolarHBondContact CE2-NE2 3.34Å; Y10-H263 AromaticContact CG-NE2 3.94Å; Y10-H263 AromaticContact CZ-CD2 3.7Å; Y10-H263 AromaticContact CZ-NE2 3.79Å
11S77.9Confident70Confident64 Ų64105.1 Ų105.145%0.44852%0.517SS..PPolyproline II helixtrans-66.3149.6171.4-179.30000108.4S9 M13 D14 Y15S9-S11 PolarHBondContact O-N 3.01Å; S9-S11 VanDerWaalsContact O-N 3.17Å; S11-M13 PolarHBondContact O-N 3.27Å; S11-M13 VanDerWaalsContact O-N 3.09Å; S11-M13 PolarHBondContact OG-N 3.31Å; S11-D14 WeakPolarHBondContact CB-OD2 3.28Å; S11-D14 PolarHBondContact N-OD2 3.4Å; S11-D14 WeakPolarHBondContact O-CB 3.16Å; S11-D14 PolarHBondContact O-N 2.95Å; S11-Y15 WeakPolarHBondContact O-CD2 3.46Å; S11-Y15 PolarHBondContact O-N 2.86Å
12L79.8Confident72.2Confident122 Ų12298.7 Ų98.764%0.63947%0.47SS*.Hα-helixtrans-49.2-36.6170.3170.3149.5000111D14 Y15 F16L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.07Å; L12-Y15 PolarHBondContact O-N 2.78Å; L12-F16 HydrophobicContact CD1-CE2 4.2Å; L12-F16 HydrophobicContact CD2-CD2 3.48Å; L12-F16 VanDerWaalsContact CD2-CD2 3.48Å; L12-F16 HydrophobicContact CD2-CE2 3.33Å; L12-F16 HydrophobicContact CG-CD2 3.86Å; L12-F16 HydrophobicContact CG-CE2 3.57Å; L12-F16 WeakPolarHBondContact O-CD2 3.41Å; L12-F16 PolarHBondContact O-N 2.79Å
13M81.8Confident74.5Confident113 Ų11396.8 Ų96.856%0.55746%0.455SS*.Hα-helixtrans-58.4-40.7174.2-173.362.971.100113.3S11 Y15 F16 L17S11-M13 PolarHBondContact O-N 3.27Å; S11-M13 VanDerWaalsContact O-N 3.09Å; S11-M13 PolarHBondContact OG-N 3.31Å; M13-Y15 VanDerWaalsContact C-N 3.34Å; M13-Y15 PolarHBondContact O-N 2.94Å; M13-F16 PolarHBondContact O-N 3.48Å; M13-L17 HydrophobicContact CG-CD1 4.32Å; M13-L17 VanDerWaalsContact O-CG 3.32Å; M13-L17 WeakPolarHBondContact O-CG 3.36Å; M13-L17 PolarHBondContact O-N 3.49Å
14D81.5Confident76.5Confident21 Ų2187.5 Ų87.511%0.11243%0.425CS..Hα-helixtrans-69.9-35.2-177.9-59.1-45.5000111.4Y10 S11 L12 K18 N259Y10-D14 HydrophobicContact CD1-CB 3.67Å; Y10-D14 HydrophobicContact CE1-CB 4.38Å; S11-D14 WeakPolarHBondContact CB-OD2 3.28Å; S11-D14 PolarHBondContact N-OD2 3.4Å; S11-D14 WeakPolarHBondContact O-CB 3.16Å; S11-D14 PolarHBondContact O-N 2.95Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 3.07Å; D14-K18 WeakPolarHBondContact O-CB 3.27Å; D14-K18 PolarHBondContact O-N 2.86Å; D14-N259 PolarHBondContact OD1-ND2 3.33Å
15Y84.8Confident78.4Confident104 Ų10480.9 Ų80.941%0.40839%0.391SS..Hα-helixtrans-64-47.3170.8-72.3-71.4000111.2Y10 S11 L12 M13 L17 K18 Y19Y10-Y15 HydrophobicContact CG-CE2 4.23Å; S11-Y15 WeakPolarHBondContact O-CD2 3.46Å; S11-Y15 PolarHBondContact O-N 2.86Å; L12-Y15 PolarHBondContact O-N 2.78Å; M13-Y15 VanDerWaalsContact C-N 3.34Å; M13-Y15 PolarHBondContact O-N 2.94Å; Y15-L17 VanDerWaalsContact C-N 3.35Å; Y15-L17 PolarHBondContact O-N 2.97Å; Y15-K18 PolarHBondContact O-N 2.94Å; Y15-Y19 HydrophobicContact CD1-CE2 4.23Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.45Å; Y15-Y19 PolarHBondContact O-N 3.46Å
16F87.8Confident80.5Confident133 Ų13376.8 Ų76.858%0.58338%0.38SS*.Hα-helixtrans-56.6-48.1176.3-85-72.1000111.9L12 M13 K18 Y19 F20L12-F16 HydrophobicContact CD1-CE2 4.2Å; L12-F16 HydrophobicContact CD2-CD2 3.48Å; L12-F16 VanDerWaalsContact CD2-CD2 3.48Å; L12-F16 HydrophobicContact CD2-CE2 3.33Å; L12-F16 HydrophobicContact CG-CD2 3.86Å; L12-F16 HydrophobicContact CG-CE2 3.57Å; L12-F16 WeakPolarHBondContact O-CD2 3.41Å; L12-F16 PolarHBondContact O-N 2.79Å; M13-F16 PolarHBondContact O-N 3.48Å; F16-K18 PolarHBondContact O-N 3.07Å; F16-Y19 PolarHBondContact O-N 2.74Å; F16-F20 WeakPolarHBondContact O-CB 3.11Å; F16-F20 PolarHBondContact O-N 3.43Å
17L86.8Confident82.6Confident50 Ų5077.8 Ų77.826%0.26238%0.381SS..Hα-helixtrans-61.4-41.9178.1-72.3-179.2000112.8M13 Y15 L21 V252M13-L17 HydrophobicContact CG-CD1 4.32Å; M13-L17 VanDerWaalsContact O-CG 3.32Å; M13-L17 WeakPolarHBondContact O-CG 3.36Å; M13-L17 PolarHBondContact O-N 3.49Å; Y15-L17 VanDerWaalsContact C-N 3.35Å; Y15-L17 PolarHBondContact O-N 2.97Å; L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 PolarHBondContact O-N 2.98Å; L17-V252 HydrophobicContact CB-CG1 4.02Å; L17-V252 HydrophobicContact CD2-CG1 4.31Å; L17-V252 HydrophobicContact CD2-CG2 4.01Å
18K88.1Confident84.8Confident22 Ų2273.2 Ų73.210%0.09636%0.359CS..Hα-helixtrans-61.6-51.3176.9179.9-177.7179.8177.70111.8D14 Y15 F16 L21 F22 A83 E86 L256D14-K18 WeakPolarHBondContact O-CB 3.27Å; D14-K18 PolarHBondContact O-N 2.86Å; Y15-K18 PolarHBondContact O-N 2.94Å; F16-K18 PolarHBondContact O-N 3.07Å; K18-L21 PolarHBondContact O-N 3.26Å; K18-F22 WeakPolarHBondContact O-CB 3.38Å; K18-F22 PolarHBondContact O-N 2.98Å; K18-A83 WeakPolarHBondContact CE-O 3.46Å; K18-E86 IonicContact NZ-OE1 3.06Å; K18-E86 PolarHBondContact NZ-OE1 3.4Å; K18-L256 HydrophobicContact CB-CD1 4.3Å; K18-L256 HydrophobicContact CG-CD1 4.47Å; K18-L256 HydrophobicContact CG-CD2 4.39Å
19Y90.8Very high86.9Confident135 Ų13568.9 Ų68.953%0.52934%0.342SS..Hα-helixtrans-70.3-33.9-178.7-72.8-67.5000112.3Y15 F16 F22 L23Y15-Y19 HydrophobicContact CD1-CE2 4.23Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.45Å; Y15-Y19 PolarHBondContact O-N 3.46Å; F16-Y19 PolarHBondContact O-N 2.74Å; Y19-F22 PolarHBondContact O-N 3.19Å; Y19-L23 VanDerWaalsContact O-CB 3.3Å; Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 3.47Å
20F90.4Very high88.6Confident104 Ų10468.2 Ų68.246%0.45633%0.334SS..Hα-helixtrans-62.4-51.2173.1178.3-102.2000111.5F16 F22 L23 C24 L248F16-F20 WeakPolarHBondContact O-CB 3.11Å; F16-F20 PolarHBondContact O-N 3.43Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.48Å; F20-L23 PolarHBondContact O-N 2.88Å; F20-C24 PolarHBondContact O-N 3.08Å; F20-C24 PolarHBondContact O-SG 3.4Å; F20-C24 VanDerWaalsContact O-SG 3.39Å; F20-L248 HydrophobicContact CE1-CD2 4.28Å
21L91.7Very high90.1Very high5 Ų571.4 Ų71.43%0.02635%0.353CS..Hα-helixtrans-59.4-42.8177.1-176.167.5000111.5L17 K18 N25 A83 L91 F94 A249 V252 A253 L256L17-L21 WeakPolarHBondContact O-CB 3.32Å; L17-L21 PolarHBondContact O-N 2.98Å; K18-L21 PolarHBondContact O-N 3.26Å; L21-N25 VanDerWaalsContact CD1-ND2 3.34Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.32Å; L21-N25 WeakPolarHBondContact O-CB 3.14Å; L21-N25 PolarHBondContact O-N 3.48Å; L21-N25 PolarHBondContact O-ND2 3.42Å; L21-A83 HydrophobicContact CD2-CB 4.34Å; L21-L91 HydrophobicContact CD2-CD1 4.1Å; L21-F94 HydrophobicContact CD1-CE1 4.44Å; L21-A249 HydrophobicContact CD1-CB 4.37Å; L21-V252 HydrophobicContact CB-CG1 3.85Å; L21-V252 HydrophobicContact CD1-CG1 4.42Å; L21-V252 HydrophobicContact CD2-CG1 4.24Å; L21-V252 HydrophobicContact CG-CG1 4.39Å; L21-A253 HydrophobicContact CD2-CB 4.18Å; L21-L256 HydrophobicContact CD2-CD2 4.42Å
22F93.9Very high91Very high47 Ų4768.3 Ų68.321%0.20633%0.332CS..Hα-helixtrans-60.6-49.3175.7168.5-108.4000111.9K18 Y19 F20 N25 L26 C80 L84K18-F22 WeakPolarHBondContact O-CB 3.38Å; K18-F22 PolarHBondContact O-N 2.98Å; Y19-F22 PolarHBondContact O-N 3.19Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 3.48Å; F22-N25 PolarHBondContact O-N 3.47Å; F22-L26 HydrophobicContact CE1-CD2 4.25Å; F22-L26 HydrophobicContact CZ-CD2 4.01Å; F22-L26 VanDerWaalsContact O-CB 3.3Å; F22-L26 WeakPolarHBondContact O-CB 3.23Å; F22-L26 PolarHBondContact O-N 3.46Å; F22-C80 HydrophobicContact CD2-CB 4.09Å; F22-C80 HydrophobicContact CE2-CB 4.19Å; F22-L84 HydrophobicContact CD1-CD2 4.43Å; F22-L84 HydrophobicContact CD2-CD1 3.75Å; F22-L84 HydrophobicContact CD2-CD2 4.01Å; F22-L84 HydrophobicContact CD2-CG 3.57Å; F22-L84 HydrophobicContact CE2-CD1 3.3Å; F22-L84 HydrophobicContact CE2-CD2 4.18Å; F22-L84 HydrophobicContact CE2-CG 3.7Å; F22-L84 HydrophobicContact CG-CD2 4.14Å; F22-L84 HydrophobicContact CG-CG 4.18Å; F22-L84 HydrophobicContact CZ-CD1 3.86Å; F22-L84 HydrophobicContact CZ-CD2 4.44Å; F22-L84 HydrophobicContact CZ-CG 4.39Å
23L93.6Very high91.8Very high94 Ų9466.9 Ų66.949%0.49232%0.324SS..Hα-helixtrans-62.8-46.1-178.3-176.965.7000111.6Y19 F20 L26 L27Y19-L23 VanDerWaalsContact O-CB 3.3Å; Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 3.47Å; F20-L23 PolarHBondContact O-N 2.88Å; L23-L26 PolarHBondContact O-N 2.95Å; L23-L27 HydrophobicContact CG-CD1 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.98Å
24C92.7Very high92.6Very high37 Ų3765.4 Ų65.425%0.2532%0.321CS..Hα-helixtrans-60.1-48.6177.1-68.90000111.6F20 L26 L27 F28F20-C24 PolarHBondContact O-N 3.08Å; F20-C24 PolarHBondContact O-SG 3.4Å; F20-C24 VanDerWaalsContact O-SG 3.39Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 2.98Å; C24-L27 PolarHBondContact O-N 3.4Å; C24-F28 WeakPolarHBondContact O-CD2 3.4Å; C24-F28 PolarHBondContact O-N 3.38Å
25N94.9Very high93.2Very high7 Ų766.5 Ų66.54%0.03733%0.329CS..Hα-helixtrans-64.2-35.4177.8-79.7-78.8000112L21 F22 F28 T29 C76 C80 F94L21-N25 VanDerWaalsContact CD1-ND2 3.34Å; L21-N25 WeakPolarHBondContact CD1-ND2 3.32Å; L21-N25 WeakPolarHBondContact O-CB 3.14Å; L21-N25 PolarHBondContact O-N 3.48Å; L21-N25 PolarHBondContact O-ND2 3.42Å; F22-N25 PolarHBondContact O-N 3.47Å; N25-F28 PolarHBondContact O-N 3.47Å; N25-T29 WeakPolarHBondContact O-CB 3.29Å; N25-T29 PolarHBondContact O-N 3.39Å; N25-T29 PolarHBondContact O-OG1 3.02Å; N25-T29 VanDerWaalsContact O-OG1 3.11Å; N25-C76 WeakPolarHBondContact O-CB 3.23Å; N25-C80 WeakPolarHBondContact CB-SG 3.32Å; N25-F94 VanDerWaalsContact OD1-CE2 3.27Å; N25-F94 WeakPolarHBondContact OD1-CE2 3.41Å
26L95.4Very high93.8Very high69 Ų6962.9 Ų62.936%0.36132%0.316SS..Hα-helixtrans-64.2-43.7177.2-179.766.9000111F22 L23 C24 T29 V30 C80F22-L26 HydrophobicContact CE1-CD2 4.25Å; F22-L26 HydrophobicContact CZ-CD2 4.01Å; F22-L26 VanDerWaalsContact O-CB 3.3Å; F22-L26 WeakPolarHBondContact O-CB 3.23Å; F22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 2.95Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 2.98Å; L26-T29 WeakPolarHBondContact O-CB 3.47Å; L26-T29 PolarHBondContact O-N 3.41Å; L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.32Å; L26-C80 PolarHBondContact N-SG 3.05Å
27L95.2Very high94.1Very high102 Ų10258.2 Ų58.253%0.53431%0.305SS..Hα-helixtrans-59.5-47.5174.9-68.8171.5000111L23 C24 T29 V30 L31L23-L27 HydrophobicContact CG-CD1 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.98Å; C24-L27 PolarHBondContact O-N 3.4Å; L27-T29 VanDerWaalsContact C-N 3.34Å; L27-T29 PolarHBondContact O-N 3.13Å; L27-V30 PolarHBondContact O-N 3.2Å; L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.96Å
28F94.5Very high94.4Very high85 Ų8560.7 Ų60.737%0.37332%0.318SS..Hα-helixtrans-66-33.2177.3-72.5-62.5000113.4C24 N25 L31 G32 C76C24-F28 WeakPolarHBondContact O-CD2 3.4Å; C24-F28 PolarHBondContact O-N 3.38Å; N25-F28 PolarHBondContact O-N 3.47Å; F28-L31 HydrophobicContact CD1-CD1 4.15Å; F28-L31 PolarHBondContact O-N 3.26Å; F28-G32 PolarHBondContact O-N 2.96Å; F28-C76 HydrophobicContact CB-CB 4.15Å; F28-C76 WeakPolarHBondContact CB-SG 3.33Å
29T96.8Very high94.5Very high6 Ų659.7 Ų59.74%0.03731%0.314CS..Hα-helixtrans-61.7-45.1171-70.90000111.3N25 L26 L27 G32 L33 T73 C76 L77N25-T29 WeakPolarHBondContact O-CB 3.29Å; N25-T29 PolarHBondContact O-N 3.39Å; N25-T29 PolarHBondContact O-OG1 3.02Å; N25-T29 VanDerWaalsContact O-OG1 3.11Å; L26-T29 WeakPolarHBondContact O-CB 3.47Å; L26-T29 PolarHBondContact O-N 3.41Å; L27-T29 VanDerWaalsContact C-N 3.34Å; L27-T29 PolarHBondContact O-N 3.13Å; T29-G32 PolarHBondContact O-N 2.96Å; T29-L33 HydrophobicContact CG2-CD1 4.32Å; T29-L33 WeakPolarHBondContact O-CG 3.4Å; T29-L33 PolarHBondContact O-N 3.45Å; T29-T73 HydrophobicContact CG2-CG2 4.26Å; T29-C76 WeakPolarHBondContact OG1-CB 3.48Å; T29-L77 HydrophobicContact CG2-CD2 3.59Å; T29-L77 HydrophobicContact CG2-CG 3.74Å; T29-L77 PolarHBondContact OG1-N 3.06Å
30V97.2Very high94.6Very high80 Ų8057.6 Ų57.649%0.48531%0.311SS..Hα-helixtrans-62.9-44.7177.3172.70000110.5L26 L27 G32 L33 V34L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 3.32Å; L27-V30 PolarHBondContact O-N 3.2Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 2.9Å; V30-L33 PolarHBondContact O-N 3.3Å; V30-V34 WeakPolarHBondContact O-CG2 3.13Å; V30-V34 PolarHBondContact O-N 2.97Å
31L96.1Very high94.6Very high99 Ų9961.6 Ų61.652%0.51832%0.323SS..Hα-helixtrans-59.6-43.8174.8-67.7173.6000111.7L27 F28 L33 V34 V35L27-L31 WeakPolarHBondContact O-CG 3.33Å; L27-L31 PolarHBondContact O-N 2.96Å; F28-L31 HydrophobicContact CD1-CD1 4.15Å; F28-L31 PolarHBondContact O-N 3.26Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.04Å; L31-V34 PolarHBondContact O-N 3.19Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 2.9Å
32G96.8Very high94.3Very high0 Ų061.8 Ų61.80%033%0.326CS..Hα-helixtrans-60-40.5175.400000113F28 T29 V30 V35 L36 T73F28-G32 PolarHBondContact O-N 2.96Å; T29-G32 PolarHBondContact O-N 2.96Å; V30-G32 VanDerWaalsContact C-N 3.33Å; V30-G32 PolarHBondContact O-N 2.9Å; G32-V35 PolarHBondContact O-N 3.39Å; G32-L36 VanDerWaalsContact O-CB 3.27Å; G32-L36 WeakPolarHBondContact O-CB 3.3Å; G32-L36 PolarHBondContact O-N 3.37Å; G32-T73 WeakPolarHBondContact CA-OG1 3.43Å; G32-T73 PolarHBondContact O-OG1 2.89Å
33L97.3Very high93.8Very high91 Ų9161.1 Ų61.148%0.47632%0.324SS..Hα-helixtrans-67-36.8175.7-74.1172.9000112.4T29 V30 L31 L36 G37 T73T29-L33 HydrophobicContact CG2-CD1 4.32Å; T29-L33 WeakPolarHBondContact O-CG 3.4Å; T29-L33 PolarHBondContact O-N 3.45Å; V30-L33 PolarHBondContact O-N 3.3Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.04Å; L33-L36 HydrophobicContact CD2-CD2 4.45Å; L33-G37 PolarHBondContact O-N 3.22Å; L33-T73 HydrophobicContact CD2-CG2 3.71Å; L33-T73 HydrophobicContact CG-CG2 3.88Å; L33-T73 PolarHBondContact N-OG1 3.37Å
34V97.5Very high93.4Very high82 Ų8259.3 Ų59.350%0.49732%0.323SS..Hα-helixtrans-63.2-49.3173.71720000110V30 L31 L36 G37 L38V30-V34 WeakPolarHBondContact O-CG2 3.13Å; V30-V34 PolarHBondContact O-N 2.97Å; L31-V34 PolarHBondContact O-N 3.19Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 2.86Å; V34-G37 PolarHBondContact O-N 2.87Å; V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.36Å; V34-L38 PolarHBondContact O-N 3.01Å
35V95.9Very high92.9Very high45 Ų4559.4 Ų59.427%0.27332%0.324SS..Hα-helixtrans-60.6-43.8177.5174.70000111.4L31 G32 G37 L38 G39 L65L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 2.9Å; G32-V35 PolarHBondContact O-N 3.39Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.37Å; V35-L38 PolarHBondContact O-N 2.96Å; V35-G39 PolarHBondContact O-N 3.5Å; V35-L65 HydrophobicContact CG1-CD2 4.33Å
36L95.8Very high91.8Very high28 Ų2860.7 Ų60.715%0.14733%0.329CS..Hα-helixtrans-60.6-43.9175.6-179.762.2000111.6G32 L33 V34 G39 I40 L66 F70G32-L36 VanDerWaalsContact O-CB 3.27Å; G32-L36 WeakPolarHBondContact O-CB 3.3Å; G32-L36 PolarHBondContact O-N 3.37Å; L33-L36 HydrophobicContact CD2-CD2 4.45Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 2.86Å; L36-G39 PolarHBondContact O-N 2.67Å; L36-I40 HydrophobicContact CD1-CD1 4.3Å; L36-I40 HydrophobicContact CG-CD1 4.06Å; L36-I40 WeakPolarHBondContact O-CG1 3.34Å; L36-I40 PolarHBondContact O-N 2.95Å; L36-L66 HydrophobicContact CD1-CG 3.95Å; L36-L66 WeakPolarHBondContact CD1-O 3.41Å; L36-F70 HydrophobicContact CD1-CB 3.98Å
37G95.1Very high90.4Very high34 Ų3464 Ų6435%0.35134%0.343SS..Hα-helixtrans-62.1-41.4176.600000112.6L33 V34 V35 I40 W41L33-G37 PolarHBondContact O-N 3.22Å; V34-G37 PolarHBondContact O-N 2.87Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.37Å; G37-I40 PolarHBondContact O-N 3.48Å; G37-W41 VanDerWaalsContact O-CB 3.29Å; G37-W41 WeakPolarHBondContact O-CB 3.31Å; G37-W41 PolarHBondContact O-N 3.19Å
38L93.1Very high88.7Confident103 Ų10363.2 Ų63.254%0.53935%0.346SS..Hα-helixtrans-63-42.5173.9-68.7174.5000111.8V34 V35 W41 G42V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.36Å; V34-L38 PolarHBondContact O-N 3.01Å; V35-L38 PolarHBondContact O-N 2.96Å; L38-W41 PolarHBondContact O-N 3.25Å; L38-G42 PolarHBondContact O-N 2.99Å
39G90.9Very high86.9Confident0 Ų066.3 Ų66.30%036%0.36CS..Hα-helixtrans-62-44.7175.400000112.7V35 L36 G42 L43V35-G39 PolarHBondContact O-N 3.5Å; L36-G39 PolarHBondContact O-N 2.67Å; G39-G42 PolarHBondContact O-N 3.48Å; G39-L43 WeakPolarHBondContact O-CG 3.43Å; G39-L43 PolarHBondContact O-N 3.46Å
40I91.2Very high84.8Confident92 Ų9268.2 Ų68.247%0.47238%0.376SS..Hα-helixtrans-63.7-45.7176-66.7166.5000110.9L36 G37 G42 L43 A44 L66L36-I40 HydrophobicContact CD1-CD1 4.3Å; L36-I40 HydrophobicContact CG-CD1 4.06Å; L36-I40 WeakPolarHBondContact O-CG1 3.34Å; L36-I40 PolarHBondContact O-N 2.95Å; G37-I40 PolarHBondContact O-N 3.48Å; I40-G42 PolarHBondContact O-N 2.99Å; I40-L43 PolarHBondContact O-N 2.81Å; I40-A44 VanDerWaalsContact O-CB 3.31Å; I40-A44 WeakPolarHBondContact O-CB 3.39Å; I40-A44 PolarHBondContact O-N 3.46Å; I40-L66 HydrophobicContact CG1-CD1 3.91Å
41W90.7Very high82.7Confident188 Ų18873.5 Ų73.571%0.71240%0.395SS*.Hα-helixtrans-60.4-44.3177.6175.1-92.1000111.9G37 L38 A44 S45G37-W41 VanDerWaalsContact O-CB 3.29Å; G37-W41 WeakPolarHBondContact O-CB 3.31Å; G37-W41 PolarHBondContact O-N 3.19Å; L38-W41 PolarHBondContact O-N 3.25Å; W41-A44 PolarHBondContact O-N 2.7Å; W41-S45 WeakPolarHBondContact O-CB 3.41Å; W41-S45 PolarHBondContact O-N 2.88Å; W41-S45 PolarHBondContact O-OG 2.97Å
42G85.7Confident80.5Confident8 Ų877.5 Ų77.58%0.08241%0.412CS..Hα-helixtrans-60.4-47.817700000112.2L38 G39 I40 S45 K46L38-G42 PolarHBondContact O-N 2.99Å; G39-G42 PolarHBondContact O-N 3.48Å; I40-G42 PolarHBondContact O-N 2.99Å; G42-S45 PolarHBondContact O-N 3.45Å; G42-K46 WeakPolarHBondContact O-CG 3.43Å; G42-K46 PolarHBondContact O-N 3.44Å
43L83.9Confident78.2Confident33 Ų3384.4 Ų84.417%0.17344%0.442CS..Hα-helixtrans-64.3-44.4176.6-70165.6000112.4G39 I40 S45 K46 E47 M62 L63 L66G39-L43 WeakPolarHBondContact O-CG 3.43Å; G39-L43 PolarHBondContact O-N 3.46Å; I40-L43 PolarHBondContact O-N 2.81Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.32Å; L43-K46 WeakPolarHBondContact O-CB 3.31Å; L43-K46 PolarHBondContact O-N 3.21Å; L43-K46 VanDerWaalsContact O-N 3.12Å; L43-E47 WeakPolarHBondContact O-CG 3.48Å; L43-E47 PolarHBondContact O-N 3.32Å; L43-M62 HydrophobicContact CD2-CB 3.92Å; L43-M62 HydrophobicContact CG-CB 3.85Å; L43-L63 HydrophobicContact CD1-CD2 3.83Å; L43-L63 HydrophobicContact CD2-CD2 3.98Å; L43-L63 HydrophobicContact CD2-CG 4.09Å; L43-L66 HydrophobicContact CD1-CB 4.33Å; L43-L66 HydrophobicContact CD1-CD1 3.48Å; L43-L66 VanDerWaalsContact CD1-CD1 3.48Å
44A84.9Confident76Confident57 Ų5788.8 Ų88.847%0.47146%0.464SS..Hα-helixtrans-63.1-37.8178.500000112.1I40 W41 K46 S48I40-A44 VanDerWaalsContact O-CB 3.31Å; I40-A44 WeakPolarHBondContact O-CB 3.39Å; I40-A44 PolarHBondContact O-N 3.46Å; W41-A44 PolarHBondContact O-N 2.7Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-S48 PolarHBondContact O-N 2.87Å
45S81.6Confident73.7Confident38 Ų3888.3 Ų88.327%0.26648%0.475SS..Hα-helixtrans-63.2-42.1174.2-58.30000110.3W41 G42 L43 S48 F49W41-S45 WeakPolarHBondContact O-CB 3.41Å; W41-S45 PolarHBondContact O-N 2.88Å; W41-S45 PolarHBondContact O-OG 2.97Å; G42-S45 PolarHBondContact O-N 3.45Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.32Å; S45-S48 PolarHBondContact O-N 3.27Å; S45-S48 PolarHBondContact O-OG 3.45Å; S45-F49 WeakPolarHBondContact O-CD2 3.31Å; S45-F49 WeakPolarHBondContact O-CE2 3.36Å
46K72.6Confident71.5Confident34 Ų3489.9 Ų89.915%0.14849%0.493CS..Hα-helixtrans-64.9-46.1176.4-71.5179.2-168-177.70113.9G42 L43 A44 S48 F49 A50 D60 D139G42-K46 WeakPolarHBondContact O-CG 3.43Å; G42-K46 PolarHBondContact O-N 3.44Å; L43-K46 WeakPolarHBondContact O-CB 3.31Å; L43-K46 PolarHBondContact O-N 3.21Å; L43-K46 VanDerWaalsContact O-N 3.12Å; A44-K46 VanDerWaalsContact C-N 3.33Å; K46-S48 PolarHBondContact O-N 3.24Å; K46-S48 VanDerWaalsContact O-N 3.14Å; K46-F49 CarbonylContact O-C 3.44Å; K46-F49 WeakPolarHBondContact O-CA 3.42Å; K46-F49 PolarHBondContact O-N 2.89Å; K46-A50 WeakPolarHBondContact O-CB 3.46Å; K46-A50 PolarHBondContact O-N 2.92Å; K46-D60 IonicContact NZ-OD1 2.65Å; K46-D60 PolarHBondContact NZ-OD1 2.87Å; K46-D60 IonicContact NZ-OD2 2.81Å; K46-D60 PolarHBondContact NZ-OD2 3.42Å; K46-D139 WeakPolarHBondContact CE-OD1 3.34Å; K46-D139 WeakPolarHBondContact CE-OD2 3.23Å; K46-D139 IonicContact NZ-OD1 2.74Å; K46-D139 PolarHBondContact NZ-OD1 2.94Å; K46-D139 IonicContact NZ-OD2 2.53Å; K46-D139 PolarHBondContact NZ-OD2 3.38Å
47E64.9Low69.3Low138 Ų13895.8 Ų95.865%0.64552%0.523SS*.Hα-helixtrans-55.2-33.8179.1-71.4-69.7157.900111.7L43 F49 A50L43-E47 WeakPolarHBondContact O-CG 3.48Å; L43-E47 PolarHBondContact O-N 3.32Å; E47-F49 PolarHBondContact O-N 3.01Å; E47-A50 PolarHBondContact O-N 3.32Å
48S59.4Low67.2Low87 Ų8797 Ų9761%0.60854%0.535SS*.THydrogen-bonded Turntrans-66.4-20.9174.377.80000114.4A44 S45 K46A44-S48 PolarHBondContact O-N 2.87Å; S45-S48 PolarHBondContact O-N 3.27Å; S45-S48 PolarHBondContact O-OG 3.45Å; K46-S48 PolarHBondContact O-N 3.24Å; K46-S48 VanDerWaalsContact O-N 3.14Å
49F57.4Low65.7Low149 Ų14998 Ų9865%0.65455%0.546SS*.THydrogen-bonded Turntrans-103.6-23.6174.5-61.3-70.7000113.4S45 K46 E47 Q51 L138S45-F49 WeakPolarHBondContact O-CD2 3.31Å; S45-F49 WeakPolarHBondContact O-CE2 3.36Å; K46-F49 CarbonylContact O-C 3.44Å; K46-F49 WeakPolarHBondContact O-CA 3.42Å; K46-F49 PolarHBondContact O-N 2.89Å; E47-F49 PolarHBondContact O-N 3.01Å; F49-Q51 PolarHBondContact O-N 3.26Å; F49-L138 HydrophobicContact CB-CD1 4.5Å
50A53.9Low64.9Low46 Ų4699.4 Ų99.438%0.3855%0.553SS.*  trans-92.610.7-165.600000115.1K46 E47 E52 K53K46-A50 WeakPolarHBondContact O-CB 3.46Å; K46-A50 PolarHBondContact O-N 2.92Å; E47-A50 PolarHBondContact O-N 3.32Å; A50-E52 PolarHBondContact O-N 3.25Å; A50-K53 PolarHBondContact O-N 3.47Å
51Q51.6Low64.4Low191 Ų19197.1 Ų97.189%0.89354%0.544SS*.THydrogen-bonded Turntrans-61.31.7175.5-153.3161.8-34.600113.7F49F49-Q51 PolarHBondContact O-N 3.26Å
52E49.6Very low64.1Low184 Ų18490.5 Ų90.586%0.8652%0.522SS*.THydrogen-bonded Turntrans-121.8-7.4-178-118.7-171.7178.700117.8A50A50-E52 PolarHBondContact O-N 3.25Å
53K49.4Very low64.1Low144 Ų14493 Ų9363%0.62653%0.533SS*.  trans-140.999.2179.5-86.9-177176.1179.90112.6A50 D136A50-K53 PolarHBondContact O-N 3.47Å; K53-D136 IonicContact NZ-OD1 2.92Å; K53-D136 PolarHBondContact NZ-OD1 2.95Å
54I50.3Low64.3Low184 Ų18496.1 Ų96.194%0.94455%0.549SS*.  trans-80.9114.4166.8-60.1170.9000107.9
55G50.2Low64.6Low71 Ų7196.7 Ų96.773%0.73254%0.544SS*.  trans146.880.3157.900000116.4
56A48.6Very low65.1Low78 Ų7897.2 Ų97.265%0.64554%0.543SS*.  trans179.377.5140.200000108.8G58A56-G58 PolarHBondContact O-N 3.44Å
57I51.5Low66Low153 Ų15399.1 Ų99.179%0.78556%0.558SS**  trans-71.4-12.3177.6-60.3173.1000111.3T59 L63I57-T59 PolarHBondContact O-N 2.93Å; I57-L63 HydrophobicContact CG2-CD1 4.48Å
58G49.9Very low67.4Low58 Ų5897.5 Ų97.560%0.59855%0.553SS**SBendtrans-87.8103.9175.900000110.8A56A56-G58 PolarHBondContact O-N 3.44Å
59T61.1Low69.2Low126 Ų12693.4 Ų93.477%0.77352%0.524SS*.  trans91.437.4169.778.40000118.6I57 P61I57-T59 PolarHBondContact O-N 2.93Å; T59-P61 WeakPolarHBondContact O-CD 3.41Å
60D75.1Confident71Confident29 Ų2991.7 Ų91.716%0.15552%0.517CS..  trans-67.9122.3160.6-178.2-29.5000110.1K46 M62 L63 I64K46-D60 IonicContact NZ-OD1 2.65Å; K46-D60 PolarHBondContact NZ-OD1 2.87Å; K46-D60 IonicContact NZ-OD2 2.81Å; K46-D60 PolarHBondContact NZ-OD2 3.42Å; D60-M62 PolarHBondContact O-N 3.41Å; D60-M62 WeakPolarHBondContact OD1-CA 3.3Å; D60-M62 VanDerWaalsContact OD1-CB 3.26Å; D60-M62 WeakPolarHBondContact OD1-CB 3.28Å; D60-M62 PolarHBondContact OD1-N 3.47Å; D60-L63 HydrophobicContact CB-CB 4.27Å; D60-L63 HydrophobicContact CB-CD1 3.92Å; D60-L63 HydrophobicContact CB-CG 3.96Å; D60-L63 WeakPolarHBondContact O-CB 3.44Å; D60-L63 PolarHBondContact O-N 3.38Å; D60-L63 VanDerWaalsContact O-N 3.07Å; D60-I64 PolarHBondContact O-N 3.22Å
61P79.4Confident73Confident44 Ų4494.7 Ų94.729%0.28653%0.526SS..Hα-helixtrans-55.2-32.6176.9-24.433.6000114.4T59 I64 L65 D139 I143T59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-I64 WeakPolarHBondContact O-CB 3.38Å; P61-I64 PolarHBondContact O-N 3.22Å; P61-L65 PolarHBondContact O-N 2.89Å; P61-D139 HydrophobicContact CG-CB 4.3Å; P61-I143 HydrophobicContact CG-CD1 3.81Å
62M85.3Confident75.1Confident48 Ų4888.6 Ų88.624%0.23650%0.499CS..Hα-helixtrans-70.9-32.4178.2-59.8-63.6-179.300112.1L43 D60 I64 L65 L66L43-M62 HydrophobicContact CD2-CB 3.92Å; L43-M62 HydrophobicContact CG-CB 3.85Å; D60-M62 PolarHBondContact O-N 3.41Å; D60-M62 WeakPolarHBondContact OD1-CA 3.3Å; D60-M62 VanDerWaalsContact OD1-CB 3.26Å; D60-M62 WeakPolarHBondContact OD1-CB 3.28Å; D60-M62 PolarHBondContact OD1-N 3.47Å; M62-I64 VanDerWaalsContact C-N 3.31Å; M62-L65 PolarHBondContact O-N 3.34Å; M62-L65 HydrophobicContact SD-CD1 4.04Å; M62-L66 WeakPolarHBondContact O-CB 3.3Å; M62-L66 PolarHBondContact O-N 3.23Å
63L86.3Confident77.4Confident61 Ų6180.3 Ų80.332%0.31946%0.461SS..Hα-helixtrans-66-36171-71.4176.5000111.2L43 I57 D60 L66 T67L43-L63 HydrophobicContact CD1-CD2 3.83Å; L43-L63 HydrophobicContact CD2-CD2 3.98Å; L43-L63 HydrophobicContact CD2-CG 4.09Å; I57-L63 HydrophobicContact CG2-CD1 4.48Å; D60-L63 HydrophobicContact CB-CB 4.27Å; D60-L63 HydrophobicContact CB-CD1 3.92Å; D60-L63 HydrophobicContact CB-CG 3.96Å; D60-L63 WeakPolarHBondContact O-CB 3.44Å; D60-L63 PolarHBondContact O-N 3.38Å; D60-L63 VanDerWaalsContact O-N 3.07Å; L63-L66 PolarHBondContact O-N 2.85Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.27Å; L63-T67 WeakPolarHBondContact O-CG2 3.34Å; L63-T67 PolarHBondContact O-N 3.18Å; L63-T67 PolarHBondContact O-OG1 3.38Å
64I88.4Confident79.6Confident98 Ų9877.8 Ų77.850%0.50345%0.454SS..Hα-helixtrans-64.1-47.6174.2-59.4174.5000109.8D60 P61 M62 L66 T67 L68D60-I64 PolarHBondContact O-N 3.22Å; P61-I64 WeakPolarHBondContact O-CB 3.38Å; P61-I64 PolarHBondContact O-N 3.22Å; M62-I64 VanDerWaalsContact C-N 3.31Å; I64-L66 PolarHBondContact O-N 2.9Å; I64-T67 PolarHBondContact O-N 3.27Å; I64-T67 PolarHBondContact O-OG1 2.98Å; I64-T67 VanDerWaalsContact O-OG1 3.04Å; I64-L68 WeakPolarHBondContact O-CB 3.38Å; I64-L68 PolarHBondContact O-N 3.02Å
65L90.6Very high81.8Confident69 Ų6970 Ų7036%0.36141%0.414SS..Hα-helixtrans-59.9-43.5176.3-69177.4000112.3V35 P61 M62 G69V35-L65 HydrophobicContact CG1-CD2 4.33Å; P61-L65 PolarHBondContact O-N 2.89Å; M62-L65 PolarHBondContact O-N 3.34Å; M62-L65 HydrophobicContact SD-CD1 4.04Å; L65-G69 PolarHBondContact O-N 3.06Å
66L92.7Very high84Confident49 Ų4967 Ų6726%0.25738%0.382SS..Hα-helixtrans-61.9-50.2177.5-178.1150.7000111.4L36 I40 L43 M62 L63 I64 F70L36-L66 HydrophobicContact CD1-CG 3.95Å; L36-L66 WeakPolarHBondContact CD1-O 3.41Å; I40-L66 HydrophobicContact CG1-CD1 3.91Å; L43-L66 HydrophobicContact CD1-CB 4.33Å; L43-L66 HydrophobicContact CD1-CD1 3.48Å; L43-L66 VanDerWaalsContact CD1-CD1 3.48Å; M62-L66 WeakPolarHBondContact O-CB 3.3Å; M62-L66 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 2.85Å; I64-L66 PolarHBondContact O-N 2.9Å; L66-F70 VanDerWaalsContact O-CB 3.29Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.34Å
67T91.6Very high86.2Confident74 Ų7467 Ų6745%0.45437%0.37SS..Hα-helixtrans-66.5-44.4-177.952.60000111.8L63 I64 F70 L71L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.27Å; L63-T67 WeakPolarHBondContact O-CG2 3.34Å; L63-T67 PolarHBondContact O-N 3.18Å; L63-T67 PolarHBondContact O-OG1 3.38Å; I64-T67 PolarHBondContact O-N 3.27Å; I64-T67 PolarHBondContact O-OG1 2.98Å; I64-T67 VanDerWaalsContact O-OG1 3.04Å; T67-F70 PolarHBondContact O-N 3.3Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.09Å; T67-L71 PolarHBondContact O-N 3.04Å
68L93.8Very high88.4Confident105 Ų10561 Ų6155%0.5534%0.341SS..Hα-helixtrans-63.8-46.9177.4-173.468.4000111.6I64 F70 L71 L72I64-L68 WeakPolarHBondContact O-CB 3.38Å; I64-L68 PolarHBondContact O-N 3.02Å; L68-F70 VanDerWaalsContact C-N 3.33Å; L68-F70 PolarHBondContact O-N 2.89Å; L68-L71 PolarHBondContact O-N 2.88Å; L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.25Å
69G95.9Very high90.5Very high0 Ų058.3 Ų58.30%031%0.313CS..Hα-helixtrans-61.2-40.8177.700000112.5L65 T73L65-G69 PolarHBondContact O-N 3.06Å; G69-T73 VanDerWaalsContact O-CB 3.29Å; G69-T73 WeakPolarHBondContact O-CB 3.27Å; G69-T73 PolarHBondContact O-N 3.11Å; G69-T73 PolarHBondContact O-OG1 2.93Å
70F96.1Very high92.1Very high113 Ų11352.6 Ų52.650%0.49628%0.278SS..Hα-helixtrans-63.4-49.4175.4178.6-103000112.3L36 L66 T67 L68 T73 L74L36-F70 HydrophobicContact CD1-CB 3.98Å; L66-F70 VanDerWaalsContact O-CB 3.29Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.34Å; T67-F70 PolarHBondContact O-N 3.3Å; L68-F70 VanDerWaalsContact C-N 3.33Å; L68-F70 PolarHBondContact O-N 2.89Å; F70-T73 PolarHBondContact O-N 2.83Å; F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 2.99Å
71L95.9Very high93Very high110 Ų11054.3 Ų54.358%0.57629%0.29SS*.Hα-helixtrans-63-43.9-180-71.2175.6000112T67 L68 L74 L75T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.09Å; T67-L71 PolarHBondContact O-N 3.04Å; L68-L71 PolarHBondContact O-N 2.88Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 PolarHBondContact O-N 3.4Å
72L95.6Very high93.6Very high63 Ų6352.2 Ų52.233%0.3328%0.276SS..Hα-helixtrans-61-46.6176.5-178.463.8000111.2L68 L74 L75 C76L68-L72 WeakPolarHBondContact O-CB 3.22Å; L68-L72 PolarHBondContact O-N 3.25Å; L72-L74 PolarHBondContact O-N 3.28Å; L72-L75 PolarHBondContact O-N 3.28Å; L72-C76 WeakPolarHBondContact O-CB 3.35Å; L72-C76 PolarHBondContact O-N 2.85Å; L72-C76 PolarHBondContact O-SG 3.28Å; L72-C76 VanDerWaalsContact O-SG 3.39Å
73T97.2Very high94Very high10 Ų1049.9 Ų49.96%0.06127%0.265CS..Hα-helixtrans-58.5-48.7177.6-600000111.1T29 G32 L33 G69 F70 C76 L77T29-T73 HydrophobicContact CG2-CG2 4.26Å; G32-T73 WeakPolarHBondContact CA-OG1 3.43Å; G32-T73 PolarHBondContact O-OG1 2.89Å; L33-T73 HydrophobicContact CD2-CG2 3.71Å; L33-T73 HydrophobicContact CG-CG2 3.88Å; L33-T73 PolarHBondContact N-OG1 3.37Å; G69-T73 VanDerWaalsContact O-CB 3.29Å; G69-T73 WeakPolarHBondContact O-CB 3.27Å; G69-T73 PolarHBondContact O-N 3.11Å; G69-T73 PolarHBondContact O-OG1 2.93Å; F70-T73 PolarHBondContact O-N 2.83Å; T73-C76 PolarHBondContact O-N 3.49Å; T73-L77 HydrophobicContact CG2-CD1 3.77Å; T73-L77 HydrophobicContact CG2-CG 4.28Å; T73-L77 VanDerWaalsContact O-CB 3.26Å; T73-L77 WeakPolarHBondContact O-CB 3.22Å; T73-L77 WeakPolarHBondContact O-CG 3.43Å; T73-L77 PolarHBondContact O-N 2.88Å
74L96.8Very high94.2Very high90 Ų9051 Ų5147%0.47127%0.27SS..Hα-helixtrans-62.1-47.5-180-176.965.2000111.5F70 L71 L72 C76 L77 T78F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 2.99Å; L71-L74 PolarHBondContact O-N 3.39Å; L72-L74 PolarHBondContact O-N 3.28Å; L74-C76 PolarHBondContact O-N 3.48Å; L74-L77 PolarHBondContact O-N 3.11Å; L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.91Å
75L96.5Very high94.3Very high22 Ų2256 Ų5612%0.11528%0.283CS..Hα-helixtrans-57.7-51.8178.7178.459.1000111.1L71 L72 L77 T78 G79 F94 I97 V98 L101L71-L75 WeakPolarHBondContact O-CB 3.48Å; L71-L75 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 3.28Å; L75-L77 PolarHBondContact O-N 3.11Å; L75-T78 PolarHBondContact O-N 2.89Å; L75-T78 PolarHBondContact O-OG1 3.49Å; L75-G79 PolarHBondContact O-N 2.94Å; L75-G79 VanDerWaalsContact O-N 3.14Å; L75-F94 HydrophobicContact CD1-CD2 3.87Å; L75-F94 HydrophobicContact CD1-CE2 4.35Å; L75-F94 HydrophobicContact CG-CD2 4.38Å; L75-F94 HydrophobicContact CG-CE2 4.43Å; L75-I97 HydrophobicContact CD1-CB 3.8Å; L75-I97 HydrophobicContact CD1-CD1 4.24Å; L75-I97 HydrophobicContact CD1-CG2 3.56Å; L75-I97 HydrophobicContact CD2-CG2 4.18Å; L75-I97 HydrophobicContact CG-CG2 4.46Å; L75-V98 HydrophobicContact CD1-CG2 4.35Å; L75-V98 HydrophobicContact CD2-CG2 4.35Å; L75-L101 HydrophobicContact CD2-CD1 3.56Å
76C96.1Very high94.2Very high8 Ų855.7 Ų55.75%0.05428%0.279CS..Hα-helixtrans-68.3-33.5-178.7-660000112.7N25 F28 T29 L72 T73 L74 G79 C80N25-C76 WeakPolarHBondContact O-CB 3.23Å; F28-C76 HydrophobicContact CB-CB 4.15Å; F28-C76 WeakPolarHBondContact CB-SG 3.33Å; T29-C76 WeakPolarHBondContact OG1-CB 3.48Å; L72-C76 WeakPolarHBondContact O-CB 3.35Å; L72-C76 PolarHBondContact O-N 2.85Å; L72-C76 PolarHBondContact O-SG 3.28Å; L72-C76 VanDerWaalsContact O-SG 3.39Å; T73-C76 PolarHBondContact O-N 3.49Å; L74-C76 PolarHBondContact O-N 3.48Å; C76-G79 PolarHBondContact O-N 2.85Å; C76-C80 PolarHBondContact O-N 3.45Å; C76-C80 PolarHBondContact O-SG 3.43Å
77L95.6Very high94.1Very high76 Ų7656.5 Ų56.540%0.39828%0.284SS..Hα-helixtrans-62.8-41.7172.2-79.2173.4000111.7T29 T73 L74 L75 G79 C80 V81T29-L77 HydrophobicContact CG2-CD2 3.59Å; T29-L77 HydrophobicContact CG2-CG 3.74Å; T29-L77 PolarHBondContact OG1-N 3.06Å; T73-L77 HydrophobicContact CG2-CD1 3.77Å; T73-L77 HydrophobicContact CG2-CG 4.28Å; T73-L77 VanDerWaalsContact O-CB 3.26Å; T73-L77 WeakPolarHBondContact O-CB 3.22Å; T73-L77 WeakPolarHBondContact O-CG 3.43Å; T73-L77 PolarHBondContact O-N 2.88Å; L74-L77 PolarHBondContact O-N 3.11Å; L75-L77 PolarHBondContact O-N 3.11Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3.32Å; L77-C80 PolarHBondContact O-N 3.17Å; L77-V81 WeakPolarHBondContact O-CB 3.38Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.97Å
78T95.8Very high94.1Very high29 Ų2954.2 Ų54.218%0.17827%0.271CS..Hα-helixtrans-62.4-38.1175.164.60000111.8L74 L75 G82L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.91Å; L75-T78 PolarHBondContact O-N 2.89Å; L75-T78 PolarHBondContact O-OG1 3.49Å; T78-G82 WeakPolarHBondContact O-CA 3.42Å; T78-G82 PolarHBondContact O-N 3.37Å
79G94.7Very high94.1Very high0 Ų053.3 Ų53.30%027%0.273CS..Hα-helixtrans-62.1-48.2172.400000112.5L75 C76 L77 G82 A83L75-G79 PolarHBondContact O-N 2.94Å; L75-G79 VanDerWaalsContact O-N 3.14Å; C76-G79 PolarHBondContact O-N 2.85Å; L77-G79 VanDerWaalsContact C-N 3.29Å; L77-G79 PolarHBondContact O-N 3.32Å; G79-G82 PolarHBondContact O-N 3.47Å; G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 3Å
80C94.4Very high94Very high7 Ų755.7 Ų55.75%0.04729%0.285CS..Hα-helixtrans-59.2-53.6177.6-70.60000112.3F22 N25 L26 C76 L77 G82 A83 L84F22-C80 HydrophobicContact CD2-CB 4.09Å; F22-C80 HydrophobicContact CE2-CB 4.19Å; N25-C80 WeakPolarHBondContact CB-SG 3.32Å; L26-C80 PolarHBondContact N-SG 3.05Å; C76-C80 PolarHBondContact O-N 3.45Å; C76-C80 PolarHBondContact O-SG 3.43Å; L77-C80 PolarHBondContact O-N 3.17Å; C80-G82 VanDerWaalsContact C-N 3.35Å; C80-A83 PolarHBondContact O-N 2.79Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 3.07Å
81V94.6Very high93.9Very high64 Ų6450.3 Ų50.339%0.38826%0.262SS..Hα-helixtrans-67.3-39.7-177.8177.80000110.2L77 A83 L84 R85 L90L77-V81 WeakPolarHBondContact O-CB 3.38Å; L77-V81 WeakPolarHBondContact O-CG2 3.33Å; L77-V81 PolarHBondContact O-N 2.97Å; V81-A83 PolarHBondContact O-N 3.32Å; V81-L84 PolarHBondContact O-N 3.46Å; V81-R85 HydrophobicContact CG1-CG 3.93Å; V81-R85 VanDerWaalsContact O-CB 3.22Å; V81-R85 WeakPolarHBondContact O-CB 3.27Å; V81-R85 PolarHBondContact O-N 3.41Å; V81-L90 HydrophobicContact CB-CD1 4.21Å; V81-L90 HydrophobicContact CG1-CD1 3.65Å
82G92.9Very high93.9Very high0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-58.8-44.8175.200000112.5T78 G79 C80 E86 N87T78-G82 WeakPolarHBondContact O-CA 3.42Å; T78-G82 PolarHBondContact O-N 3.37Å; G79-G82 PolarHBondContact O-N 3.47Å; C80-G82 VanDerWaalsContact C-N 3.35Å; G82-E86 WeakPolarHBondContact O-CA 3.41Å; G82-E86 PolarHBondContact O-N 3.09Å; G82-N87 PolarHBondContact O-N 3.44Å; G82-N87 VanDerWaalsContact O-N 3.11Å
83A91.8Very high93.9Very high0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-68.1-49.9176.800000112.3K18 L21 G79 C80 V81 E86 L256K18-A83 WeakPolarHBondContact CE-O 3.46Å; L21-A83 HydrophobicContact CD2-CB 4.34Å; G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 3Å; C80-A83 PolarHBondContact O-N 2.79Å; V81-A83 PolarHBondContact O-N 3.32Å; A83-E86 PolarHBondContact O-N 2.96Å; A83-L256 HydrophobicContact CB-CD2 4.16Å
84L90.7Very high93.8Very high83 Ų8353.1 Ų53.144%0.43527%0.268SS..Hα-helixtrans-67.2-45.5-176.9-77.9-179.9000113.4F22 C80 V81 E86F22-L84 HydrophobicContact CD1-CD2 4.43Å; F22-L84 HydrophobicContact CD2-CD1 3.75Å; F22-L84 HydrophobicContact CD2-CD2 4.01Å; F22-L84 HydrophobicContact CD2-CG 3.57Å; F22-L84 HydrophobicContact CE2-CD1 3.3Å; F22-L84 HydrophobicContact CE2-CD2 4.18Å; F22-L84 HydrophobicContact CE2-CG 3.7Å; F22-L84 HydrophobicContact CG-CD2 4.14Å; F22-L84 HydrophobicContact CG-CG 4.18Å; F22-L84 HydrophobicContact CZ-CD1 3.86Å; F22-L84 HydrophobicContact CZ-CD2 4.44Å; F22-L84 HydrophobicContact CZ-CG 4.39Å; C80-L84 WeakPolarHBondContact O-CB 3.45Å; C80-L84 PolarHBondContact O-N 3.07Å; V81-L84 PolarHBondContact O-N 3.46Å; L84-E86 PolarHBondContact O-N 2.71Å
85R90.8Very high93.8Very high204 Ų20449.5 Ų49.577%0.7725%0.251SS*.THydrogen-bonded Turntrans-82.9-1.7-178.4-64-67.7-169.1169.30.7113V81 N87V81-R85 HydrophobicContact CG1-CG 3.93Å; V81-R85 VanDerWaalsContact O-CB 3.22Å; V81-R85 WeakPolarHBondContact O-CB 3.27Å; V81-R85 PolarHBondContact O-N 3.41Å; R85-N87 HydrophobicContact CB-CB 4.3Å; R85-N87 PolarHBondContact O-N 3.23Å; R85-N87 VanDerWaalsContact O-N 3.11Å
86E88.5Confident93.8Very high62 Ų6252.1 Ų52.129%0.2927%0.267SS..THydrogen-bonded Turntrans50.136.4-173.7-65178.6-176.900111.8K18 G82 A83 L84 S88 I260K18-E86 IonicContact NZ-OE1 3.06Å; K18-E86 PolarHBondContact NZ-OE1 3.4Å; G82-E86 WeakPolarHBondContact O-CA 3.41Å; G82-E86 PolarHBondContact O-N 3.09Å; A83-E86 PolarHBondContact O-N 2.96Å; L84-E86 PolarHBondContact O-N 2.71Å; E86-S88 PolarHBondContact O-N 3.33Å; E86-I260 HydrophobicContact CB-CD1 3.77Å; E86-I260 HydrophobicContact CB-CG1 4.03Å; E86-I260 HydrophobicContact CG-CD1 4.18Å; E86-I260 HydrophobicContact CG-CG1 4.32Å
87N91.9Very high93.9Very high66 Ų6655 Ų5535%0.35328%0.281SS..  trans-85.4101.9-177.4-173.9-21.3000109.5G82 R85 C89 L90 L91G82-N87 PolarHBondContact O-N 3.44Å; G82-N87 VanDerWaalsContact O-N 3.11Å; R85-N87 HydrophobicContact CB-CB 4.3Å; R85-N87 PolarHBondContact O-N 3.23Å; R85-N87 VanDerWaalsContact O-N 3.11Å; N87-C89 PolarHBondContact O-N 2.77Å; N87-C89 WeakPolarHBondContact OD1-CB 3.49Å; N87-C89 PolarHBondContact OD1-N 3.02Å; N87-L90 HydrophobicContact CB-CB 4.29Å; N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.29Å; N87-L90 PolarHBondContact O-N 3.07Å; N87-L91 PolarHBondContact O-N 3.32Å; N87-L91 VanDerWaalsContact O-N 3.07Å
88S91.6Very high93.9Very high27 Ų2751.7 Ų51.719%0.18927%0.265CS..Hα-helixtrans-56.2-33.1-178.9-42.80000113.3E86 K92 I260 K264E86-S88 PolarHBondContact O-N 3.33Å; S88-K92 VanDerWaalsContact O-CB 3.27Å; S88-K92 WeakPolarHBondContact O-CB 3.49Å; S88-K92 PolarHBondContact O-N 2.87Å; S88-I260 WeakPolarHBondContact OG-CG2 3.4Å; S88-K264 PolarHBondContact OG-NZ 2.92Å
89C93.4Very high94Very high86 Ų8655.1 Ų55.158%0.58128%0.281SS*.Hα-helixtrans-68.1-50.4179.4-175.80000111.1N87 L91 K92 M93N87-C89 PolarHBondContact O-N 2.77Å; N87-C89 WeakPolarHBondContact OD1-CB 3.49Å; N87-C89 PolarHBondContact OD1-N 3.02Å; C89-L91 VanDerWaalsContact C-N 3.35Å; C89-L91 PolarHBondContact O-N 3.18Å; C89-K92 PolarHBondContact O-N 3.33Å; C89-M93 WeakPolarHBondContact O-CG 3.36Å; C89-M93 PolarHBondContact O-N 3.44Å
90L94.3Very high94.1Very high49 Ų4958.1 Ų58.126%0.25730%0.3SS..Hα-helixtrans-62-42.3178.9-69.5176.7000112V81 N87 K92 M93 F94V81-L90 HydrophobicContact CB-CD1 4.21Å; V81-L90 HydrophobicContact CG1-CD1 3.65Å; N87-L90 HydrophobicContact CB-CB 4.29Å; N87-L90 HydrophobicContact CB-CD1 4.08Å; N87-L90 HydrophobicContact CB-CG 4.29Å; N87-L90 PolarHBondContact O-N 3.07Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.95Å; L90-M93 PolarHBondContact O-N 3.07Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 2.88Å
91L93.5Very high94.2Very high0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-66.6-34.2179-165.463.5000112.2L21 N87 C89 S95 A253 L256 L257 I260L21-L91 HydrophobicContact CD2-CD1 4.1Å; N87-L91 PolarHBondContact O-N 3.32Å; N87-L91 VanDerWaalsContact O-N 3.07Å; C89-L91 VanDerWaalsContact C-N 3.35Å; C89-L91 PolarHBondContact O-N 3.18Å; L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.03Å; L91-S95 PolarHBondContact O-OG 3.23Å; L91-A253 HydrophobicContact CD1-CB 3.75Å; L91-A253 VanDerWaalsContact CD2-O 3.31Å; L91-A253 WeakPolarHBondContact CD2-O 3.41Å; L91-A253 HydrophobicContact CG-CB 4.12Å; L91-L256 HydrophobicContact CD2-CB 3.98Å; L91-L256 HydrophobicContact CD2-CD2 3.91Å; L91-L256 HydrophobicContact CD2-CG 3.88Å; L91-L257 HydrophobicContact CD2-CB 3.99Å; L91-I260 HydrophobicContact CD2-CD1 4.33Å
92K94.8Very high94.3Very high137 Ų13759 Ų5960%0.59630%0.301SS*.Hα-helixtrans-69.2-44.2174.4-154.2177.3-170.2-177.50111.2S88 C89 L90 S95 V96 L257S88-K92 VanDerWaalsContact O-CB 3.27Å; S88-K92 WeakPolarHBondContact O-CB 3.49Å; S88-K92 PolarHBondContact O-N 2.87Å; C89-K92 PolarHBondContact O-N 3.33Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.95Å; K92-S95 PolarHBondContact O-N 2.99Å; K92-V96 VanDerWaalsContact O-CG2 3.28Å; K92-V96 WeakPolarHBondContact O-CG2 3.48Å; K92-V96 PolarHBondContact O-N 3.42Å; K92-L257 HydrophobicContact CB-CD1 3.86Å; K92-L257 HydrophobicContact CG-CD1 4.18Å
93M95.6Very high94.5Very high100 Ų10062.2 Ų62.249%0.49332%0.321SS..Hα-helixtrans-60.2-47.2174.7-71.1-57.8-61.900111.6C89 L90 S95 V96 I97C89-M93 WeakPolarHBondContact O-CG 3.36Å; C89-M93 PolarHBondContact O-N 3.44Å; L90-M93 PolarHBondContact O-N 3.07Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 3.16Å; M93-V96 PolarHBondContact O-N 3.28Å; M93-I97 VanDerWaalsContact O-CG1 3.3Å; M93-I97 WeakPolarHBondContact O-CG1 3.46Å; M93-I97 PolarHBondContact O-N 3.42Å
94F96.1Very high94.8Very high5 Ų568.4 Ų68.42%0.02235%0.348CS..Hα-helixtrans-53.5-50.9173.6171-98.9000111.4L21 N25 L75 L90 V96 I97 V98 A249 A253L21-F94 HydrophobicContact CD1-CE1 4.44Å; N25-F94 VanDerWaalsContact OD1-CE2 3.27Å; N25-F94 WeakPolarHBondContact OD1-CE2 3.41Å; L75-F94 HydrophobicContact CD1-CD2 3.87Å; L75-F94 HydrophobicContact CD1-CE2 4.35Å; L75-F94 HydrophobicContact CG-CD2 4.38Å; L75-F94 HydrophobicContact CG-CE2 4.43Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 2.88Å; F94-V96 PolarHBondContact O-N 3.36Å; F94-I97 PolarHBondContact O-N 3.41Å; F94-V98 HydrophobicContact CD2-CG2 4.2Å; F94-V98 HydrophobicContact CE1-CG2 4.22Å; F94-V98 HydrophobicContact CE2-CG2 3.82Å; F94-V98 HydrophobicContact CZ-CG2 3.83Å; F94-V98 WeakPolarHBondContact O-CG2 3.4Å; F94-V98 PolarHBondContact O-N 3.32Å; F94-A249 HydrophobicContact CE1-CB 4.48Å; F94-A249 HydrophobicContact CZ-CB 4.37Å; F94-A253 HydrophobicContact CD1-CB 4.12Å; F94-A253 HydrophobicContact CE1-CB 4.21Å
95S96.3Very high95Very high14 Ų1467.3 Ų67.310%0.09834%0.341CS..Hα-helixtrans-62.1-40.8-179.1-55.20000112.7L91 K92 M93 L99 A253L91-S95 WeakPolarHBondContact O-CB 3.39Å; L91-S95 PolarHBondContact O-N 3.03Å; L91-S95 PolarHBondContact O-OG 3.23Å; K92-S95 PolarHBondContact O-N 2.99Å; M93-S95 VanDerWaalsContact C-N 3.34Å; M93-S95 PolarHBondContact O-N 3.16Å; S95-L99 WeakPolarHBondContact O-CB 3.28Å; S95-L99 PolarHBondContact O-N 3.08Å; S95-A253 WeakPolarHBondContact OG-CB 3.25Å
96V97.1Very high95.2Very high77 Ų7761 Ų6147%0.46733%0.325SS..Hα-helixtrans-66.5-45178.2170.80000111K92 M93 F94 L99 V100K92-V96 VanDerWaalsContact O-CG2 3.28Å; K92-V96 WeakPolarHBondContact O-CG2 3.48Å; K92-V96 PolarHBondContact O-N 3.42Å; M93-V96 PolarHBondContact O-N 3.28Å; F94-V96 PolarHBondContact O-N 3.36Å; V96-L99 PolarHBondContact O-N 3.37Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 2.95Å
97I96.8Very high95.6Very high68 Ų6863 Ų6335%0.34934%0.336SS..Hα-helixtrans-64.4-45.5179.4-64.7164.7000110.4L75 M93 F94 L99 V100 L101L75-I97 HydrophobicContact CD1-CB 3.8Å; L75-I97 HydrophobicContact CD1-CD1 4.24Å; L75-I97 HydrophobicContact CD1-CG2 3.56Å; L75-I97 HydrophobicContact CD2-CG2 4.18Å; L75-I97 HydrophobicContact CG-CG2 4.46Å; M93-I97 VanDerWaalsContact O-CG1 3.3Å; M93-I97 WeakPolarHBondContact O-CG1 3.46Å; M93-I97 PolarHBondContact O-N 3.42Å; F94-I97 PolarHBondContact O-N 3.41Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 3.49Å; I97-V100 WeakPolarHBondContact O-CB 3.37Å; I97-V100 PolarHBondContact O-N 3.29Å; I97-V100 VanDerWaalsContact O-N 3.16Å; I97-L101 HydrophobicContact CG2-CD1 4.48Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.42Å
98V96.9Very high95.8Very high8 Ų867.2 Ų67.25%0.04835%0.352CS..Hα-helixtrans-61.6-40.3176.8176.10000111.2L75 F94 V100 L101 I102 Q246 V250L75-V98 HydrophobicContact CD1-CG2 4.35Å; L75-V98 HydrophobicContact CD2-CG2 4.35Å; F94-V98 HydrophobicContact CD2-CG2 4.2Å; F94-V98 HydrophobicContact CE1-CG2 4.22Å; F94-V98 HydrophobicContact CE2-CG2 3.82Å; F94-V98 HydrophobicContact CZ-CG2 3.83Å; F94-V98 WeakPolarHBondContact O-CG2 3.4Å; F94-V98 PolarHBondContact O-N 3.32Å; V98-V100 VanDerWaalsContact C-N 3.32Å; V98-V100 PolarHBondContact O-N 3.05Å; V98-L101 WeakPolarHBondContact O-CB 3.43Å; V98-L101 PolarHBondContact O-N 3.19Å; V98-L101 VanDerWaalsContact O-N 3.16Å; V98-I102 HydrophobicContact CG1-CD1 4.31Å; V98-I102 WeakPolarHBondContact O-CG1 3.26Å; V98-I102 PolarHBondContact O-N 3.44Å; V98-Q246 HydrophobicContact CG1-CB 3.8Å; V98-Q246 HydrophobicContact CG1-CG 4.2Å; V98-V250 HydrophobicContact CB-CG2 3.86Å; V98-V250 HydrophobicContact CG1-CG2 3.54Å
99L97Very high95.9Very high100 Ų10068.6 Ų68.652%0.52437%0.365SS..Hα-helixtrans-61.3-41.4175.4-17467.1000112S95 V96 I97 L101 I102 T103S95-L99 WeakPolarHBondContact O-CB 3.28Å; S95-L99 PolarHBondContact O-N 3.08Å; V96-L99 PolarHBondContact O-N 3.37Å; I97-L99 VanDerWaalsContact C-N 3.31Å; I97-L99 PolarHBondContact O-N 3.49Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-I102 PolarHBondContact O-N 3.29Å; L99-T103 WeakPolarHBondContact O-CG2 3.48Å; L99-T103 PolarHBondContact O-N 2.84Å; L99-T103 VanDerWaalsContact O-N 3.08Å
100V97.3Very high96Very high64 Ų6469 Ų6939%0.38836%0.361SS..Hα-helixtrans-61.9-42174.4169.20000110.7V96 I97 V98 T103 F104V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 2.95Å; I97-V100 WeakPolarHBondContact O-CB 3.37Å; I97-V100 PolarHBondContact O-N 3.29Å; I97-V100 VanDerWaalsContact O-N 3.16Å; V98-V100 VanDerWaalsContact C-N 3.32Å; V98-V100 PolarHBondContact O-N 3.05Å; V100-T103 WeakPolarHBondContact CA-OG1 3.44Å; V100-T103 PolarHBondContact O-N 3.39Å; V100-T103 PolarHBondContact O-OG1 3.39Å; V100-F104 HydrophobicContact CG1-CD2 3.59Å; V100-F104 HydrophobicContact CG1-CE2 3.47Å; V100-F104 VanDerWaalsContact CG1-CE2 3.47Å; V100-F104 VanDerWaalsContact O-CD2 3.27Å; V100-F104 WeakPolarHBondContact O-CD2 3.39Å; V100-F104 PolarHBondContact O-N 3.46Å
101L96.4Very high96Very high67 Ų6770.5 Ų70.535%0.35137%0.372SS..Hα-helixtrans-61.4-45175.6-67.7177.1000112.3L75 I97 V98 L99 T103 F104 E105L75-L101 HydrophobicContact CD2-CD1 3.56Å; I97-L101 HydrophobicContact CG2-CD1 4.48Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 3.42Å; V98-L101 WeakPolarHBondContact O-CB 3.43Å; V98-L101 PolarHBondContact O-N 3.19Å; V98-L101 VanDerWaalsContact O-N 3.16Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L101-T103 VanDerWaalsContact C-N 3.26Å; L101-T103 PolarHBondContact O-N 2.97Å; L101-F104 PolarHBondContact O-N 3.2Å; L101-F104 VanDerWaalsContact O-N 3.07Å; L101-E105 WeakPolarHBondContact O-CG 3.35Å; L101-E105 PolarHBondContact O-N 2.99Å
102I97.3Very high95.8Very high21 Ų2171.9 Ų71.911%0.10838%0.383CS..Hα-helixtrans-55.6-44.4174.3-65.1167000110.3V98 L99 F104 E105 V106 V243 Q246 I247V98-I102 HydrophobicContact CG1-CD1 4.31Å; V98-I102 WeakPolarHBondContact O-CG1 3.26Å; V98-I102 PolarHBondContact O-N 3.44Å; L99-I102 PolarHBondContact O-N 3.29Å; I102-F104 PolarHBondContact O-N 2.83Å; I102-E105 PolarHBondContact O-N 3.3Å; I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.98Å; I102-V243 HydrophobicContact CG2-CG1 4.38Å; I102-Q246 HydrophobicContact CD1-CB 3.87Å; I102-Q246 HydrophobicContact CG1-CB 3.73Å; I102-I247 HydrophobicContact CD1-CG1 3.91Å
103T97.3Very high95.6Very high69 Ų6973.4 Ų73.442%0.42339%0.387SS..Hα-helixtrans-64.6-40.1178.360.30000112.3L99 V100 L101 L107L99-T103 WeakPolarHBondContact O-CG2 3.48Å; L99-T103 PolarHBondContact O-N 2.84Å; L99-T103 VanDerWaalsContact O-N 3.08Å; V100-T103 WeakPolarHBondContact CA-OG1 3.44Å; V100-T103 PolarHBondContact O-N 3.39Å; V100-T103 PolarHBondContact O-OG1 3.39Å; L101-T103 VanDerWaalsContact C-N 3.26Å; L101-T103 PolarHBondContact O-N 2.97Å; T103-L107 WeakPolarHBondContact O-CB 3.16Å; T103-L107 WeakPolarHBondContact O-CG 3.34Å; T103-L107 PolarHBondContact O-N 3.44Å
104F96.5Very high95.5Very high129 Ų12973 Ų7357%0.56639%0.39SS*.Hα-helixtrans-65.4-41.1175.8-86.5-68.3000112.1V100 L101 I102 L107 F108V100-F104 HydrophobicContact CG1-CD2 3.59Å; V100-F104 HydrophobicContact CG1-CE2 3.47Å; V100-F104 VanDerWaalsContact CG1-CE2 3.47Å; V100-F104 VanDerWaalsContact O-CD2 3.27Å; V100-F104 WeakPolarHBondContact O-CD2 3.39Å; V100-F104 PolarHBondContact O-N 3.46Å; L101-F104 PolarHBondContact O-N 3.2Å; L101-F104 VanDerWaalsContact O-N 3.07Å; I102-F104 PolarHBondContact O-N 2.83Å; F104-L107 PolarHBondContact O-N 3.34Å; F104-F108 WeakPolarHBondContact O-CB 3.49Å; F104-F108 PolarHBondContact O-N 2.88Å
105E95.6Very high95.3Very high61 Ų6174.8 Ų74.829%0.28540%0.401SS..Hα-helixtrans-62.8-44.9177.8-74.1178.3-18000111.9L101 I102 F108 A109 V243 Q246L101-E105 WeakPolarHBondContact O-CG 3.35Å; L101-E105 PolarHBondContact O-N 2.99Å; I102-E105 PolarHBondContact O-N 3.3Å; E105-F108 PolarHBondContact O-N 3.24Å; E105-A109 WeakPolarHBondContact O-CB 3.4Å; E105-A109 PolarHBondContact O-N 3.49Å; E105-V243 WeakPolarHBondContact OE2-CG2 3.49Å; E105-Q246 PolarHBondContact OE1-NE2 3.01Å; E105-Q246 PolarHBondContact OE2-NE2 3.35Å; E105-Q246 PolarHBondContact OE2-OE1 3.49Å
106V96.1Very high94.8Very high72 Ų7278.7 Ų78.744%0.43642%0.418SS..Hα-helixtrans-64.7-44.4176.8173.50000111I102 A109 I110I102-V106 WeakPolarHBondContact O-CG2 3.5Å; I102-V106 PolarHBondContact O-N 2.98Å; V106-A109 PolarHBondContact O-N 2.64Å; V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 VanDerWaalsContact O-CG1 3.26Å; V106-I110 WeakPolarHBondContact O-CG1 3.35Å; V106-I110 PolarHBondContact O-N 3.14Å
107L97.1Very high94.2Very high102 Ų10281.6 Ų81.653%0.53443%0.43SS..Hα-helixtrans-62.8-44.1176.6-73174000111.6T103 F104 I110 V111T103-L107 WeakPolarHBondContact O-CB 3.16Å; T103-L107 WeakPolarHBondContact O-CG 3.34Å; T103-L107 PolarHBondContact O-N 3.44Å; F104-L107 PolarHBondContact O-N 3.34Å; L107-I110 PolarHBondContact O-N 3.21Å; L107-V111 WeakPolarHBondContact O-CG2 3.39Å; L107-V111 PolarHBondContact O-N 2.96Å
108F94.6Very high93.9Very high155 Ų15583.6 Ų83.668%0.6844%0.439SS*.Hα-helixtrans-60.5-45.5177179.2-94.2000111.1F104 E105 I110 V111 A112F104-F108 WeakPolarHBondContact O-CB 3.49Å; F104-F108 PolarHBondContact O-N 2.88Å; E105-F108 PolarHBondContact O-N 3.24Å; F108-I110 PolarHBondContact O-N 3.43Å; F108-V111 PolarHBondContact O-N 3.49Å; F108-A112 HydrophobicContact CE1-CB 4.5Å; F108-A112 VanDerWaalsContact O-CB 3.26Å; F108-A112 WeakPolarHBondContact O-CB 3.43Å; F108-A112 PolarHBondContact O-N 2.9Å
109A93.9Very high93.5Very high57 Ų5786.2 Ų86.247%0.47145%0.451SS..Hα-helixtrans-61.1-42.917700000112.3E105 V106 Y113E105-A109 WeakPolarHBondContact O-CB 3.4Å; E105-A109 PolarHBondContact O-N 3.49Å; V106-A109 PolarHBondContact O-N 2.64Å; A109-Y113 WeakPolarHBondContact O-CB 3.43Å; A109-Y113 PolarHBondContact O-N 3.14Å
110I94.8Very high93.2Very high94 Ų9485.6 Ų85.648%0.48245%0.446SS..Hα-helixtrans-62.1-48.8175.7-67163.9000110.2V106 L107 F108 Y113 T114V106-I110 HydrophobicContact CG1-CD1 3.92Å; V106-I110 VanDerWaalsContact O-CG1 3.26Å; V106-I110 WeakPolarHBondContact O-CG1 3.35Å; V106-I110 PolarHBondContact O-N 3.14Å; L107-I110 PolarHBondContact O-N 3.21Å; F108-I110 PolarHBondContact O-N 3.43Å; I110-Y113 PolarHBondContact O-N 3.48Å; I110-T114 HydrophobicContact CG2-CG2 4.4Å; I110-T114 WeakPolarHBondContact O-CG2 3.37Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 2.85Å
111V94.4Very high93Very high80 Ų8084.2 Ų84.249%0.48545%0.445SS..Hα-helixtrans-60.6-51.2179.8171.10000110.2L107 F108 Y113 T114 V115L107-V111 WeakPolarHBondContact O-CG2 3.39Å; L107-V111 PolarHBondContact O-N 2.96Å; F108-V111 PolarHBondContact O-N 3.49Å; V111-Y113 PolarHBondContact O-N 2.88Å; V111-T114 WeakPolarHBondContact CA-OG1 3.44Å; V111-T114 PolarHBondContact O-N 2.9Å; V111-T114 PolarHBondContact O-OG1 3.07Å; V111-V115 HydrophobicContact CG1-CG2 4.26Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.29Å
112A91.1Very high92.7Very high30 Ų3088.7 Ų88.725%0.24846%0.458CS..Hα-helixtrans-53.9-42179.200000112F108 Q116F108-A112 HydrophobicContact CE1-CB 4.5Å; F108-A112 VanDerWaalsContact O-CB 3.26Å; F108-A112 WeakPolarHBondContact O-CB 3.43Å; F108-A112 PolarHBondContact O-N 2.9Å; A112-Q116 PolarHBondContact O-N 3.42Å
113Y90.6Very high92.4Very high169 Ų16990.9 Ų90.966%0.66347%0.47SS*.Hα-helixtrans-65.9-43.8174.5-174.9-96.7000112.5A109 I110 V111 V115 Q116A109-Y113 WeakPolarHBondContact O-CB 3.43Å; A109-Y113 PolarHBondContact O-N 3.14Å; I110-Y113 PolarHBondContact O-N 3.48Å; V111-Y113 PolarHBondContact O-N 2.88Å; Y113-V115 VanDerWaalsContact C-N 3.35Å; Y113-V115 PolarHBondContact O-N 3.24Å; Y113-Q116 WeakPolarHBondContact O-CG 3.26Å
114T92.5Very high92.3Very high92 Ų9291.5 Ų91.556%0.56446%0.464SS*.Hα-helixtrans-69-29.8-178.857.60000114.2I110 V111I110-T114 HydrophobicContact CG2-CG2 4.4Å; I110-T114 WeakPolarHBondContact O-CG2 3.37Å; I110-T114 PolarHBondContact O-N 2.94Å; I110-T114 PolarHBondContact O-OG1 2.85Å; V111-T114 WeakPolarHBondContact CA-OG1 3.44Å; V111-T114 PolarHBondContact O-N 2.9Å; V111-T114 PolarHBondContact O-OG1 3.07Å
115V91.8Very high92.2Very high42 Ų4289 Ų8926%0.25546%0.463SS..THydrogen-bonded Turntrans-104.513.5-178.7-58.30000113.1V111 Y113 D117 Q118 I119V111-V115 HydrophobicContact CG1-CG2 4.26Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.29Å; Y113-V115 VanDerWaalsContact C-N 3.35Å; Y113-V115 PolarHBondContact O-N 3.24Å; V115-D117 PolarHBondContact O-N 2.94Å; V115-D117 VanDerWaalsContact O-N 3.1Å; V115-Q118 HydrophobicContact CB-CB 4.44Å; V115-Q118 WeakPolarHBondContact O-CA 3.46Å; V115-Q118 WeakPolarHBondContact O-CB 3.3Å; V115-Q118 PolarHBondContact O-N 2.99Å; V115-I119 HydrophobicContact CG2-CD1 4.18Å; V115-I119 HydrophobicContact CG2-CG1 4Å; V115-I119 WeakPolarHBondContact O-CG1 3.43Å; V115-I119 PolarHBondContact O-N 3.18Å
116Q86.4Confident92.1Very high96 Ų9688 Ų8845%0.44947%0.47SS..Hα-helixtrans-50.6-40.2-175.267-175.61.100113.2A112 Y113 Q118 I119A112-Q116 PolarHBondContact O-N 3.42Å; Y113-Q116 WeakPolarHBondContact O-CG 3.26Å; Q116-Q118 VanDerWaalsContact C-N 3.27Å; Q116-Q118 PolarHBondContact O-N 2.94Å; Q116-I119 PolarHBondContact O-N 3.16Å
117D84.9Confident92Very high137 Ų13785.9 Ų85.973%0.73346%0.455SS*.Hα-helixtrans-69.3-25.5179.5-55.6-39.6000112.5V115V115-D117 PolarHBondContact O-N 2.94Å; V115-D117 VanDerWaalsContact O-N 3.1Å
118Q90.3Very high92Very high111 Ų11183.6 Ų83.652%0.51944%0.443SS..Hα-helixtrans-87.8-26.4177.8-58.5-179.722.200112.1V115 Q116 E120 G121 Y122V115-Q118 HydrophobicContact CB-CB 4.44Å; V115-Q118 WeakPolarHBondContact O-CA 3.46Å; V115-Q118 WeakPolarHBondContact O-CB 3.3Å; V115-Q118 PolarHBondContact O-N 2.99Å; Q116-Q118 VanDerWaalsContact C-N 3.27Å; Q116-Q118 PolarHBondContact O-N 2.94Å; Q118-E120 PolarHBondContact O-N 3.24Å; Q118-G121 PolarHBondContact O-N 2.81Å; Q118-Y122 HydrophobicContact CB-CD2 4.34Å; Q118-Y122 HydrophobicContact CB-CE2 4.05Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.26Å; Q118-Y122 PolarHBondContact O-N 3.32Å; Q118-Y122 VanDerWaalsContact O-N 3.15Å
119I88.2Confident91.9Very high62 Ų6279.1 Ų79.132%0.31844%0.435SS..Hα-helixtrans-56-40.1179.7-70.2174.8000110.4V115 Q116 G121 Y122 L123V115-I119 HydrophobicContact CG2-CD1 4.18Å; V115-I119 HydrophobicContact CG2-CG1 4Å; V115-I119 WeakPolarHBondContact O-CG1 3.43Å; V115-I119 PolarHBondContact O-N 3.18Å; Q116-I119 PolarHBondContact O-N 3.16Å; I119-G121 VanDerWaalsContact C-N 3.3Å; I119-G121 PolarHBondContact O-N 3.46Å; I119-Y122 PolarHBondContact O-N 3.01Å; I119-L123 HydrophobicContact CG2-CD1 3.74Å; I119-L123 HydrophobicContact CG2-CG 4Å; I119-L123 WeakPolarHBondContact O-CB 3.2Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.04Å
120E89.9Confident91.8Very high87 Ų8777.1 Ų77.141%0.40742%0.418SS..Hα-helixtrans-57.3-43.7176.8-171.7-173.9150.900111.8Q118 L123 R124 L221Q118-E120 PolarHBondContact O-N 3.24Å; E120-L123 PolarHBondContact O-N 3.33Å; E120-R124 VanDerWaalsContact O-CB 3.25Å; E120-R124 WeakPolarHBondContact O-CB 3.19Å; E120-R124 PolarHBondContact O-N 2.89Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.39Å; E120-R124 VanDerWaalsContact OE1-NH2 3.12Å; E120-L221 HydrophobicContact CG-CD1 4.04Å; E120-L221 HydrophobicContact CG-CD2 3.72Å; E120-L221 HydrophobicContact CG-CG 3.96Å
121G92.7Very high91.8Very high36 Ų3672.8 Ų72.837%0.37140%0.396SS..Hα-helixtrans-65.7-38.417800000113.3Q118 I119 S125Q118-G121 PolarHBondContact O-N 2.81Å; I119-G121 VanDerWaalsContact C-N 3.3Å; I119-G121 PolarHBondContact O-N 3.46Å; G121-S125 WeakPolarHBondContact O-CB 3.27Å; G121-S125 PolarHBondContact O-N 2.99Å; G121-S125 PolarHBondContact O-OG 2.65Å
122Y90.9Very high91.9Very high160 Ų16071 Ų7163%0.62739%0.389SS*.Hα-helixtrans-67.3-43.9174.2-71.4-65.1000111.9Q118 I119 S125 G126Q118-Y122 HydrophobicContact CB-CD2 4.34Å; Q118-Y122 HydrophobicContact CB-CE2 4.05Å; Q118-Y122 WeakPolarHBondContact O-CD2 3.26Å; Q118-Y122 PolarHBondContact O-N 3.32Å; Q118-Y122 VanDerWaalsContact O-N 3.15Å; I119-Y122 PolarHBondContact O-N 3.01Å; Y122-S125 PolarHBondContact O-N 2.95Å; Y122-G126 PolarHBondContact O-N 2.97Å
123L92Very high91.9Very high68 Ų6870.3 Ų70.336%0.35639%0.385SS..Hα-helixtrans-61.7-47.3175.8-73.5176.1000111I119 E120 S125 G126 M127 L221I119-L123 HydrophobicContact CG2-CD1 3.74Å; I119-L123 HydrophobicContact CG2-CG 4Å; I119-L123 WeakPolarHBondContact O-CB 3.2Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.04Å; E120-L123 PolarHBondContact O-N 3.33Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; L123-G126 PolarHBondContact O-N 3.38Å; L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 VanDerWaalsContact O-CG 3.23Å; L123-M127 WeakPolarHBondContact O-CG 3.32Å; L123-M127 PolarHBondContact O-N 2.95Å; L123-L221 HydrophobicContact CB-CD1 3.72Å; L123-L221 HydrophobicContact CD1-CD1 4.5Å
124R94.9Very high92Very high81 Ų8162.6 Ų62.631%0.30636%0.355SS..Hα-helixtrans-53.3-51.7175.3-176.8-176.2-65.8-101.3-6.7111.6E120 G126 M127 L128 V156 D157 L221E120-R124 VanDerWaalsContact O-CB 3.25Å; E120-R124 WeakPolarHBondContact O-CB 3.19Å; E120-R124 PolarHBondContact O-N 2.89Å; E120-R124 IonicContact OE1-NH2 2.67Å; E120-R124 PolarHBondContact OE1-NH2 3.39Å; E120-R124 VanDerWaalsContact OE1-NH2 3.12Å; R124-G126 PolarHBondContact O-N 3.4Å; R124-M127 PolarHBondContact O-N 3.44Å; R124-L128 HydrophobicContact CG-CD1 4.32Å; R124-L128 WeakPolarHBondContact O-CG 3.48Å; R124-L128 PolarHBondContact O-N 2.79Å; R124-V156 HydrophobicContact CB-CG1 4.29Å; R124-V156 HydrophobicContact CG-CG1 3.89Å; R124-D157 IonicContact CZ-OD1 2.77Å; R124-D157 IonicContact CZ-OD2 3.3Å; R124-D157 VanDerWaalsContact CZ-OD2 3.3Å; R124-D157 IonicContact NH1-OD1 2.74Å; R124-D157 PolarHBondContact NH1-OD1 3.49Å; R124-D157 IonicContact NH1-OD2 2.59Å; R124-D157 PolarHBondContact NH1-OD2 2.92Å; R124-D157 IonicContact NH2-OD1 3.12Å; R124-D157 PolarHBondContact NH2-OD1 2.84Å; R124-D157 IonicContact NH2-OD2 3.81Å; R124-L221 HydrophobicContact CB-CD2 3.76Å; R124-L221 HydrophobicContact CG-CD2 4.14Å
125S94.4Very high91.9Very high77 Ų7761 Ų6154%0.53834%0.341SS..Hα-helixtrans-63.3-42.2-179.6-55.30000111.9G121 Y122 L123 L128 A129G121-S125 WeakPolarHBondContact O-CB 3.27Å; G121-S125 PolarHBondContact O-N 2.99Å; G121-S125 PolarHBondContact O-OG 2.65Å; Y122-S125 PolarHBondContact O-N 2.95Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; S125-L128 PolarHBondContact O-N 2.9Å; S125-A129 WeakPolarHBondContact O-CB 3.38Å; S125-A129 PolarHBondContact O-N 3.21Å
126G92.1Very high91.7Very high41 Ų4162.6 Ų62.642%0.42335%0.348SS..Hα-helixtrans-64.5-41.7176.700000112.9Y122 L123 R124 A129 A130Y122-G126 PolarHBondContact O-N 2.97Å; L123-G126 PolarHBondContact O-N 3.38Å; R124-G126 PolarHBondContact O-N 3.4Å; G126-A129 PolarHBondContact O-N 3Å; G126-A130 WeakPolarHBondContact O-CB 3.42Å; G126-A130 PolarHBondContact O-N 2.98Å
127M94.8Very high91.6Very high27 Ų2760.8 Ų60.813%0.13334%0.342CS..Hα-helixtrans-67.5-41.3177.1-69.1172.871.700111.8L123 R124 A129 A130 M131 V156 C220 L221 I224L123-M127 WeakPolarHBondContact O-CB 3.4Å; L123-M127 VanDerWaalsContact O-CG 3.23Å; L123-M127 WeakPolarHBondContact O-CG 3.32Å; L123-M127 PolarHBondContact O-N 2.95Å; R124-M127 PolarHBondContact O-N 3.44Å; M127-A129 VanDerWaalsContact C-N 3.32Å; M127-A129 PolarHBondContact O-N 3.32Å; M127-A130 WeakPolarHBondContact O-CB 3.33Å; M127-A130 PolarHBondContact O-N 2.75Å; M127-M131 WeakPolarHBondContact O-CB 3.41Å; M127-M131 WeakPolarHBondContact O-CG 3.44Å; M127-M131 PolarHBondContact O-N 3.43Å; M127-V156 HydrophobicContact CB-CG1 4.26Å; M127-V156 HydrophobicContact CB-CG2 3.68Å; M127-V156 HydrophobicContact CE-CG1 4.47Å; M127-V156 HydrophobicContact SD-CG1 4.31Å; M127-C220 HydrophobicContact CE-CB 3.45Å; M127-C220 VanDerWaalsContact CE-CB 3.45Å; M127-L221 HydrophobicContact SD-CB 4.43Å; M127-L221 HydrophobicContact SD-CD1 4.2Å; M127-I224 HydrophobicContact CE-CD1 4.19Å; M127-I224 HydrophobicContact SD-CD1 3.87Å
128L96.3Very high91.6Very high54 Ų5459.2 Ų59.228%0.28333%0.333SS..Hα-helixtrans-62.1-40.7173.9-71.8172.4000111.6R124 S125 M131 A132 V156 D161 V164R124-L128 HydrophobicContact CG-CD1 4.32Å; R124-L128 WeakPolarHBondContact O-CG 3.48Å; R124-L128 PolarHBondContact O-N 2.79Å; S125-L128 PolarHBondContact O-N 2.9Å; L128-M131 PolarHBondContact O-N 3.27Å; L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 3.37Å; L128-V156 HydrophobicContact CD2-CB 4.35Å; L128-V156 HydrophobicContact CD2-CG2 3.66Å; L128-V156 HydrophobicContact CG-CG2 3.89Å; L128-D161 HydrophobicContact CD2-CB 4.3Å; L128-V164 HydrophobicContact CD2-CG1 4.12Å; L128-V164 HydrophobicContact CD2-CG2 4.41Å
129A93.1Very high91.2Very high61 Ų6155 Ų5550%0.50431%0.314SS..Hα-helixtrans-64.3-41.3174.100000112S125 G126 M127 A132 G133S125-A129 WeakPolarHBondContact O-CB 3.38Å; S125-A129 PolarHBondContact O-N 3.21Å; G126-A129 PolarHBondContact O-N 3Å; M127-A129 VanDerWaalsContact C-N 3.32Å; M127-A129 PolarHBondContact O-N 3.32Å; A129-A132 PolarHBondContact O-N 3.22Å; A129-G133 PolarHBondContact O-N 3.45Å
130A92.1Very high91.3Very high14 Ų1454.6 Ų54.612%0.11631%0.312CS..Hα-helixtrans-61.4-43.9174.700000111.8G126 M127 G133 Y134 L140G126-A130 WeakPolarHBondContact O-CB 3.42Å; G126-A130 PolarHBondContact O-N 2.98Å; M127-A130 WeakPolarHBondContact O-CB 3.33Å; M127-A130 PolarHBondContact O-N 2.75Å; A130-G133 CarbonylContact O-C 3.49Å; A130-G133 PolarHBondContact O-N 3.4Å; A130-Y134 PolarHBondContact O-N 2.93Å; A130-L140 HydrophobicContact CB-CB 4.45Å; A130-L140 HydrophobicContact CB-CD2 4.07Å
131M95.3Very high91.3Very high4 Ų455.4 Ų55.42%0.0231%0.311CS..Hα-helixtrans-64.1-40.6175.6-72.9173.760.400112.2M127 L128 G133 Y134 T144 V156 D161 W162 V164 N165M127-M131 WeakPolarHBondContact O-CB 3.41Å; M127-M131 WeakPolarHBondContact O-CG 3.44Å; M127-M131 PolarHBondContact O-N 3.43Å; L128-M131 PolarHBondContact O-N 3.27Å; M131-G133 VanDerWaalsContact C-N 3.31Å; M131-G133 PolarHBondContact O-N 2.7Å; M131-Y134 WeakPolarHBondContact O-CB 3.29Å; M131-Y134 PolarHBondContact O-N 2.85Å; M131-T144 HydrophobicContact CG-CG2 4.36Å; M131-V156 HydrophobicContact SD-CG2 3.47Å; M131-V156 WeakPolarHBondContact SD-CG2 3.42Å; M131-D161 VanDerWaalsContact CE-C 3.47Å; M131-D161 HydrophobicContact CE-CB 3.92Å; M131-D161 WeakPolarHBondContact CE-O 3.2Å; M131-W162 HydrophobicContact CB-CZ3 4.32Å; M131-W162 HydrophobicContact CE-CB 4.33Å; M131-W162 HydrophobicContact CE-CD2 3.57Å; M131-W162 HydrophobicContact CE-CE3 3.93Å; M131-W162 HydrophobicContact CE-CG 3.77Å; M131-W162 HydrophobicContact CE-CZ2 4.29Å; M131-W162 HydrophobicContact CE-CZ3 4.43Å; M131-W162 HydrophobicContact CG-CH2 4.18Å; M131-W162 HydrophobicContact CG-CZ2 4.43Å; M131-W162 HydrophobicContact CG-CZ3 4.35Å; M131-V164 HydrophobicContact CB-CG2 4.02Å; M131-N165 PolarHBondContact O-ND2 2.92Å
132A95Very high91.1Very high42 Ų4259.4 Ų59.435%0.34732%0.319SS..Hα-helixtrans-61-40.7175.700000111.7L128 A129 N165L128-A132 WeakPolarHBondContact O-CB 3.38Å; L128-A132 PolarHBondContact O-N 3.37Å; A129-A132 PolarHBondContact O-N 3.22Å; A132-N165 PolarHBondContact O-ND2 3.44Å
133G91.8Very high91.1Very high16 Ų1654.8 Ų54.817%0.16530%0.304CS..THydrogen-bonded Turntrans-84.71.617700000115.7A129 A130 M131 Q135 D136 D137A129-G133 PolarHBondContact O-N 3.45Å; A130-G133 CarbonylContact O-C 3.49Å; A130-G133 PolarHBondContact O-N 3.4Å; M131-G133 VanDerWaalsContact C-N 3.31Å; M131-G133 PolarHBondContact O-N 2.7Å; G133-Q135 VanDerWaalsContact C-N 3.28Å; G133-Q135 PolarHBondContact O-N 3.29Å; G133-Q135 VanDerWaalsContact O-N 3.09Å; G133-D136 PolarHBondContact O-N 3.48Å; G133-D137 PolarHBondContact O-N 3.35Å
134Y92.8Very high91.3Very high6 Ų652.1 Ų52.12%0.02429%0.291CS..THydrogen-bonded Turntrans-55-33.3-168.8174.4-89.6000115.3A130 M131 R141 T144 D145 W162 Y168 P181A130-Y134 PolarHBondContact O-N 2.93Å; M131-Y134 WeakPolarHBondContact O-CB 3.29Å; M131-Y134 PolarHBondContact O-N 2.85Å; Y134-R141 HydrophobicContact CD2-CB 4.28Å; Y134-R141 HydrophobicContact CD2-CG 4.11Å; Y134-R141 HydrophobicContact CE1-CG 4.24Å; Y134-R141 HydrophobicContact CE2-CB 4.26Å; Y134-R141 HydrophobicContact CE2-CG 3.63Å; Y134-R141 VanDerWaalsContact O-CB 3.31Å; Y134-R141 WeakPolarHBondContact O-CB 3.33Å; Y134-T144 HydrophobicContact CD2-CG2 3.99Å; Y134-T144 HydrophobicContact CE2-CG2 4.25Å; Y134-D145 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-D145 PolarHBondContact OH-OD1 2.83Å; Y134-D145 PolarHBondContact OH-OD2 3.1Å; Y134-W162 HydrophobicContact CD1-CH2 4.24Å; Y134-W162 HydrophobicContact CD1-CZ3 4.1Å; Y134-W162 AromaticContact CD2-CH2 3.71Å; Y134-W162 HydrophobicContact CD2-CH2 3.71Å; Y134-W162 HydrophobicContact CD2-CZ3 4.24Å; Y134-W162 HydrophobicContact CE2-CH2 4.05Å; Y134-W162 AromaticContact CG-CH2 3.82Å; Y134-W162 HydrophobicContact CG-CH2 3.82Å; Y134-W162 AromaticContact CG-CZ3 3.86Å; Y134-W162 HydrophobicContact CG-CZ3 3.86Å; Y134-Y168 HydrophobicContact CD1-CE2 4.02Å; Y134-Y168 HydrophobicContact CE1-CE2 4.13Å; Y134-P181 HydrophobicContact CE1-CB 4.47Å; Y134-P181 HydrophobicContact CE1-CG 4.05Å; Y134-P181 HydrophobicContact CE2-CG 4.37Å
135Q89.9Confident91.2Very high59 Ų5949.6 Ų49.628%0.27628%0.283SS..THydrogen-bonded Turntrans-92.6-19178.2-66.3-65-4.800113.1G133 Y167 Y168G133-Q135 VanDerWaalsContact C-N 3.28Å; G133-Q135 PolarHBondContact O-N 3.29Å; G133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-Y167 HydrophobicContact CB-CD2 3.52Å; Q135-Y167 HydrophobicContact CB-CE2 3.43Å; Q135-Y167 VanDerWaalsContact CB-CE2 3.43Å; Q135-Y167 HydrophobicContact CB-CG 4.39Å; Q135-Y167 HydrophobicContact CG-CD2 3.43Å; Q135-Y167 VanDerWaalsContact CG-CD2 3.43Å; Q135-Y167 HydrophobicContact CG-CE2 3.91Å; Q135-Y167 HydrophobicContact CG-CG 3.95Å; Q135-Y168 PolarHBondContact NE2-OH 2.96Å
136D87.8Confident91.2Very high75 Ų7550.8 Ų50.840%0.40128%0.281SS..THydrogen-bonded Turntrans-93.7-21.8-174-75.6-61.8000112.9K53 G133K53-D136 IonicContact NZ-OD1 2.92Å; K53-D136 PolarHBondContact NZ-OD1 2.95Å; G133-D136 PolarHBondContact O-N 3.48Å
137D84.4Confident91.3Very high59 Ų5951.1 Ų51.132%0.31627%0.272SS..  trans-130.5121.9-176.1-170.1-47.4000110.9G133 D139 L140 R141G133-D137 PolarHBondContact O-N 3.35Å; D137-D139 VanDerWaalsContact C-N 3.32Å; D137-D139 PolarHBondContact O-N 2.99Å; D137-D139 WeakPolarHBondContact OD1-CA 3.27Å; D137-D139 WeakPolarHBondContact OD1-CB 3.18Å; D137-D139 PolarHBondContact OD1-N 2.93Å; D137-L140 HydrophobicContact CB-CB 4.05Å; D137-L140 HydrophobicContact CB-CD1 3.79Å; D137-L140 HydrophobicContact CB-CG 3.84Å; D137-L140 PolarHBondContact O-N 2.95Å; D137-L140 PolarHBondContact OD1-N 3.35Å; D137-R141 WeakPolarHBondContact O-CB 3.36Å; D137-R141 PolarHBondContact O-N 3.44Å
138L84.4Confident91.4Very high104 Ų10449.9 Ų49.955%0.54527%0.266SS..Hα-helixtrans-67.8-28.6-178.2-68.3172.4000113F49 F142F49-L138 HydrophobicContact CB-CD1 4.5Å; L138-F142 WeakPolarHBondContact O-CB 3.49Å; L138-F142 PolarHBondContact O-N 3.16Å
139D83.3Confident91.2Very high22 Ų2250.2 Ų50.212%0.11827%0.268CS..Hα-helixtrans-74.5-45.8177.2-59.6-54.2000111.2K46 P61 D137 R141 F142 I143K46-D139 WeakPolarHBondContact CE-OD1 3.34Å; K46-D139 WeakPolarHBondContact CE-OD2 3.23Å; K46-D139 IonicContact NZ-OD1 2.74Å; K46-D139 PolarHBondContact NZ-OD1 2.94Å; K46-D139 IonicContact NZ-OD2 2.53Å; K46-D139 PolarHBondContact NZ-OD2 3.38Å; P61-D139 HydrophobicContact CG-CB 4.3Å; D137-D139 VanDerWaalsContact C-N 3.32Å; D137-D139 PolarHBondContact O-N 2.99Å; D137-D139 WeakPolarHBondContact OD1-CA 3.27Å; D137-D139 WeakPolarHBondContact OD1-CB 3.18Å; D137-D139 PolarHBondContact OD1-N 2.93Å; D139-R141 PolarHBondContact O-N 3.22Å; D139-F142 PolarHBondContact O-N 3.39Å; D139-I143 WeakPolarHBondContact O-CB 3.42Å; D139-I143 VanDerWaalsContact O-CG1 3.31Å; D139-I143 WeakPolarHBondContact O-CG1 3.35Å; D139-I143 PolarHBondContact O-N 3.41Å
140L88.8Confident91.2Very high53 Ų5350.3 Ų50.328%0.27727%0.274SS..Hα-helixtrans-61.8-38.9177.2-60.8-179.1000110.1A130 D137 T144A130-L140 HydrophobicContact CB-CB 4.45Å; A130-L140 HydrophobicContact CB-CD2 4.07Å; D137-L140 HydrophobicContact CB-CB 4.05Å; D137-L140 HydrophobicContact CB-CD1 3.79Å; D137-L140 HydrophobicContact CB-CG 3.84Å; D137-L140 PolarHBondContact O-N 2.95Å; D137-L140 PolarHBondContact OD1-N 3.35Å; L140-T144 VanDerWaalsContact O-CB 3.24Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.24Å; L140-T144 PolarHBondContact O-OG1 3Å
141R91Very high91.3Very high104 Ų10451.8 Ų51.839%0.39228%0.28SS..Hα-helixtrans-57.4-57.4170.6-172.3166.4175.5176.5-3.3112.2Y134 D137 D139 I143 T144 D145Y134-R141 HydrophobicContact CD2-CB 4.28Å; Y134-R141 HydrophobicContact CD2-CG 4.11Å; Y134-R141 HydrophobicContact CE1-CG 4.24Å; Y134-R141 HydrophobicContact CE2-CB 4.26Å; Y134-R141 HydrophobicContact CE2-CG 3.63Å; Y134-R141 VanDerWaalsContact O-CB 3.31Å; Y134-R141 WeakPolarHBondContact O-CB 3.33Å; D137-R141 WeakPolarHBondContact O-CB 3.36Å; D137-R141 PolarHBondContact O-N 3.44Å; D139-R141 PolarHBondContact O-N 3.22Å; R141-I143 PolarHBondContact O-N 2.8Å; R141-T144 PolarHBondContact O-N 3.2Å; R141-D145 IonicContact NE-OD2 3.83Å; R141-D145 WeakPolarHBondContact O-CB 3.45Å; R141-D145 PolarHBondContact O-N 3.42Å
142F89.1Confident91.2Very high120 Ų12057.7 Ų57.753%0.52631%0.308SS..Hα-helixtrans-57.8-48.2-177.7176.1-99.5000111.9L138 D139 T144 D145 E146L138-F142 WeakPolarHBondContact O-CB 3.49Å; L138-F142 PolarHBondContact O-N 3.16Å; D139-F142 PolarHBondContact O-N 3.39Å; F142-T144 PolarHBondContact O-N 3.11Å; F142-D145 PolarHBondContact O-N 3.11Å; F142-E146 HydrophobicContact CD1-CG 4.31Å; F142-E146 HydrophobicContact CD2-CG 4.23Å; F142-E146 HydrophobicContact CE1-CG 3.9Å; F142-E146 HydrophobicContact CE2-CG 3.8Å; F142-E146 HydrophobicContact CG-CG 4.47Å; F142-E146 HydrophobicContact CZ-CG 3.62Å; F142-E146 WeakPolarHBondContact O-CB 3.28Å; F142-E146 VanDerWaalsContact O-CG 3.3Å; F142-E146 WeakPolarHBondContact O-CG 3.46Å; F142-E146 PolarHBondContact O-N 2.93Å
143I90.6Very high91.3Very high64 Ų6455.8 Ų55.833%0.32829%0.291SS..Hα-helixtrans-62.5-43.9179.5-68.9164.5000110.8P61 D139 R141 I147P61-I143 HydrophobicContact CG-CD1 3.81Å; D139-I143 WeakPolarHBondContact O-CB 3.42Å; D139-I143 VanDerWaalsContact O-CG1 3.31Å; D139-I143 WeakPolarHBondContact O-CG1 3.35Å; D139-I143 PolarHBondContact O-N 3.41Å; R141-I143 PolarHBondContact O-N 2.8Å; I143-I147 HydrophobicContact CG2-CD1 3.71Å; I143-I147 HydrophobicContact CG2-CG1 4.45Å; I143-I147 WeakPolarHBondContact O-CB 3.41Å; I143-I147 WeakPolarHBondContact O-CD1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.25Å
144T94.6Very high91.5Very high12 Ų1255 Ų557%0.07428%0.284CS..Hα-helixtrans-64.7-43.6179-56.20000111.2M131 Y134 L140 R141 F142 I147 Q148 W162M131-T144 HydrophobicContact CG-CG2 4.36Å; Y134-T144 HydrophobicContact CD2-CG2 3.99Å; Y134-T144 HydrophobicContact CE2-CG2 4.25Å; L140-T144 VanDerWaalsContact O-CB 3.24Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.24Å; L140-T144 PolarHBondContact O-OG1 3Å; R141-T144 PolarHBondContact O-N 3.2Å; F142-T144 PolarHBondContact O-N 3.11Å; T144-I147 PolarHBondContact O-N 2.88Å; T144-Q148 WeakPolarHBondContact O-CB 3.25Å; T144-Q148 WeakPolarHBondContact O-CG 3.27Å; T144-Q148 PolarHBondContact O-N 3.31Å; T144-W162 HydrophobicContact CG2-CH2 3.93Å; T144-W162 HydrophobicContact CG2-CZ2 4.06Å
145D94.1Very high91.7Very high27 Ų2754.8 Ų54.814%0.14428%0.283CS..Hα-helixtrans-61.6-47177.6-80.5-20.5000111.7Y134 R141 F142 I147 Q148 L149 T183Y134-D145 WeakPolarHBondContact CE2-OD1 3.43Å; Y134-D145 PolarHBondContact OH-OD1 2.83Å; Y134-D145 PolarHBondContact OH-OD2 3.1Å; R141-D145 IonicContact NE-OD2 3.83Å; R141-D145 WeakPolarHBondContact O-CB 3.45Å; R141-D145 PolarHBondContact O-N 3.42Å; F142-D145 PolarHBondContact O-N 3.11Å; D145-I147 PolarHBondContact O-N 3.34Å; D145-Q148 PolarHBondContact O-N 3.3Å; D145-L149 WeakPolarHBondContact O-CB 3.29Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.38Å; D145-L149 PolarHBondContact O-N 2.92Å; D145-T183 HydrophobicContact CB-CG2 3.79Å; D145-T183 WeakPolarHBondContact OD1-CG2 3.41Å; D145-T183 PolarHBondContact OD1-OG1 3.27Å
146E93.1Very high92.1Very high103 Ų10352 Ų5248%0.48127%0.27SS..Hα-helixtrans-63.7-39.7177.6-72.4-63.7133.900112.2F142 G150F142-E146 HydrophobicContact CD1-CG 4.31Å; F142-E146 HydrophobicContact CD2-CG 4.23Å; F142-E146 HydrophobicContact CE1-CG 3.9Å; F142-E146 HydrophobicContact CE2-CG 3.8Å; F142-E146 HydrophobicContact CG-CG 4.47Å; F142-E146 HydrophobicContact CZ-CG 3.62Å; F142-E146 WeakPolarHBondContact O-CB 3.28Å; F142-E146 VanDerWaalsContact O-CG 3.3Å; F142-E146 WeakPolarHBondContact O-CG 3.46Å; F142-E146 PolarHBondContact O-N 2.93Å; E146-G150 WeakPolarHBondContact O-CA 3.24Å; E146-G150 PolarHBondContact O-N 3.29Å
147I95.1Very high92.4Very high47 Ų4751.1 Ų51.124%0.24127%0.265CS..Hα-helixtrans-63.7-47.1175.5-71.7169.3000110.3I143 T144 D145 G150 L151 C220I143-I147 HydrophobicContact CG2-CD1 3.71Å; I143-I147 HydrophobicContact CG2-CG1 4.45Å; I143-I147 WeakPolarHBondContact O-CB 3.41Å; I143-I147 WeakPolarHBondContact O-CD1 3.22Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 3.25Å; T144-I147 PolarHBondContact O-N 2.88Å; D145-I147 PolarHBondContact O-N 3.34Å; I147-G150 PolarHBondContact O-N 3.19Å; I147-L151 HydrophobicContact CG2-CD1 4.06Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 PolarHBondContact O-N 3.47Å; I147-C220 HydrophobicContact CG2-CB 3.95Å
148Q95.9Very high93Very high2 Ų251 Ų511%0.00927%0.267CS..Hα-helixtrans-65.3-44.7-177.9-74.9-174.6-20.700112.5T144 D145 Q152 C153 W162 T183 C184T144-Q148 WeakPolarHBondContact O-CB 3.25Å; T144-Q148 WeakPolarHBondContact O-CG 3.27Å; T144-Q148 PolarHBondContact O-N 3.31Å; D145-Q148 PolarHBondContact O-N 3.3Å; Q148-Q152 VanDerWaalsContact O-CA 3.24Å; Q148-Q152 WeakPolarHBondContact O-CA 3.41Å; Q148-Q152 PolarHBondContact O-N 3.45Å; Q148-C153 WeakPolarHBondContact CG-O 3.34Å; Q148-C153 PolarHBondContact O-N 3.49Å; Q148-W162 VanDerWaalsContact NE2-CZ2 3.25Å; Q148-T183 PolarHBondContact OE1-OG1 2.84Å; Q148-T183 VanDerWaalsContact OE1-OG1 3.13Å; Q148-C184 PolarHBondContact OE1-SG 3.25Å
149L92.9Very high93.5Very high61 Ų6146.3 Ų46.332%0.31924%0.242SC..Hα-helixtrans-67.4-45.3176.2-69.6172.3000111.8D145 T183 W195D145-L149 WeakPolarHBondContact O-CB 3.29Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.38Å; D145-L149 PolarHBondContact O-N 2.92Å; L149-T183 HydrophobicContact CD1-CG2 3.76Å; L149-T183 HydrophobicContact CD2-CG2 4Å; L149-T183 HydrophobicContact CG-CG2 3.7Å; L149-W195 HydrophobicContact CD1-CH2 4.31Å; L149-W195 HydrophobicContact CD2-CH2 4.42Å; L149-W195 HydrophobicContact CD2-CZ3 4.45Å
150G93Very high94.1Very high62 Ų6251.2 Ų51.264%0.63926%0.259SS*.Hα-helixtrans-70.8-34.5-174.800000113.8E146 I147E146-G150 WeakPolarHBondContact O-CA 3.24Å; E146-G150 PolarHBondContact O-N 3.29Å; I147-G150 PolarHBondContact O-N 3.19Å
151L94.5Very high94.5Very high45 Ų4550.2 Ų50.224%0.23625%0.254CS..Hα-helixtrans-101.8-2.4179.2-62.7177.5000113.7I147 C153 I224 W227I147-L151 HydrophobicContact CG2-CD1 4.06Å; I147-L151 WeakPolarHBondContact O-CB 3.3Å; I147-L151 PolarHBondContact O-N 3.47Å; L151-C153 HydrophobicContact CB-CB 4.4Å; L151-C153 VanDerWaalsContact CB-SG 3.59Å; L151-C153 PolarHBondContact O-N 2.86Å; L151-I224 HydrophobicContact CD1-CB 4.43Å; L151-I224 HydrophobicContact CD1-CD1 4.47Å; L151-I224 HydrophobicContact CD1-CG1 3.45Å; L151-I224 VanDerWaalsContact CD1-CG1 3.45Å; L151-W227 HydrophobicContact CD2-CB 4.09Å; L151-W227 HydrophobicContact CD2-CG 4.23Å
152Q94.3Very high94.7Very high129 Ų12945.2 Ų45.260%0.60324%0.235SC*.THydrogen-bonded Turntrans51.556.8-178.8-62.8-174.3-45.500111.4Q148 F216Q148-Q152 VanDerWaalsContact O-CA 3.24Å; Q148-Q152 WeakPolarHBondContact O-CA 3.41Å; Q148-Q152 PolarHBondContact O-N 3.45Å; Q152-F216 HydrophobicContact CB-CD1 3.95Å; Q152-F216 HydrophobicContact CB-CD2 4.32Å; Q152-F216 HydrophobicContact CB-CE1 3.65Å; Q152-F216 HydrophobicContact CB-CE2 4.04Å; Q152-F216 HydrophobicContact CB-CG 4.29Å; Q152-F216 HydrophobicContact CB-CZ 3.7Å; Q152-F216 HydrophobicContact CG-CE1 4.18Å; Q152-F216 HydrophobicContact CG-CE2 4.35Å; Q152-F216 HydrophobicContact CG-CZ 3.86Å; Q152-F216 WeakPolarHBondContact O-CB 3.37Å; Q152-F216 WeakPolarHBondContact O-CD1 3.23Å; Q152-F216 VanDerWaalsContact O-CG 3.27Å; Q152-F216 WeakPolarHBondContact O-CG 3.47Å
153C96.3Very high95.1Very high1 Ų144.5 Ų44.51%0.00723%0.233CC..  trans-136.9164.2-171.8610000110.9Q148 L151 G218 C220Q148-C153 WeakPolarHBondContact CG-O 3.34Å; Q148-C153 PolarHBondContact O-N 3.49Å; L151-C153 HydrophobicContact CB-CB 4.4Å; L151-C153 VanDerWaalsContact CB-SG 3.59Å; L151-C153 PolarHBondContact O-N 2.86Å; C153-G218 CarbonylContact C-O 3.54Å; C153-G218 VanDerWaalsContact CA-O 3.24Å; C153-G218 WeakPolarHBondContact CA-O 3.43Å; C153-G218 WeakPolarHBondContact CB-O 3.33Å; C153-C220 VanDerWaalsContact C-SG 3.57Å; C153-C220 HydrophobicContact CB-CB 3.9Å; C153-C220 WeakPolarHBondContact CB-SG 3.48Å; C153-C220 WeakPolarHBondContact SG-CA 3.28Å; C153-C220 WeakPolarHBondContact SG-CB 3.37Å; C153-C220 CovalentContact SG-SG 2.02Å; C153-C220 PolarHBondContact SG-SG 2.9Å
154C96.4Very high95.3Very high0 Ų044.7 Ų44.70%024%0.237CC..  trans-139.9130.5175.9-166.90000112.1T158 Y159 W162 C184 F216 G218C154-T158 CarbonylContact O-C 3.41Å; C154-T158 VanDerWaalsContact O-C 3.29Å; C154-Y159 PolarHBondContact O-N 2.97Å; C154-W162 PolarHBondContact SG-NE1 3.2Å; C154-C184 VanDerWaalsContact CA-SG 3.52Å; C154-C184 HydrophobicContact CB-CB 3.61Å; C154-C184 WeakPolarHBondContact CB-SG 3.2Å; C154-C184 WeakPolarHBondContact SG-CB 3.36Å; C154-C184 CovalentContact SG-SG 2.04Å; C154-C184 PolarHBondContact SG-SG 3.23Å; C154-F216 WeakPolarHBondContact CB-O 3.45Å; C154-G218 PolarHBondContact N-O 3.44Å
155G96.9Very high95.4Very high1 Ų144.1 Ų44.11%0.0123%0.234CC..SBendtrans69-169.3-173.900000113.4T158 C220G155-T158 WeakPolarHBondContact CA-O 3.05Å; G155-C220 WeakPolarHBondContact O-CB 2.93Å; G155-C220 PolarHBondContact O-N 3.03Å; G155-C220 PolarHBondContact O-SG 2.71Å
156V96.9Very high95.4Very high0 Ų048.2 Ų48.20%025%0.254CS..SBendtrans-85.3-56.8-176.8-175.80000109.8R124 M127 L128 M131 D161 G219 C220 L221R124-V156 HydrophobicContact CB-CG1 4.29Å; R124-V156 HydrophobicContact CG-CG1 3.89Å; M127-V156 HydrophobicContact CB-CG1 4.26Å; M127-V156 HydrophobicContact CB-CG2 3.68Å; M127-V156 HydrophobicContact CE-CG1 4.47Å; M127-V156 HydrophobicContact SD-CG1 4.31Å; L128-V156 HydrophobicContact CD2-CB 4.35Å; L128-V156 HydrophobicContact CD2-CG2 3.66Å; L128-V156 HydrophobicContact CG-CG2 3.89Å; M131-V156 HydrophobicContact SD-CG2 3.47Å; M131-V156 WeakPolarHBondContact SD-CG2 3.42Å; V156-D161 WeakPolarHBondContact CA-OD2 3.24Å; V156-D161 PolarHBondContact N-OD2 3.04Å; V156-G219 CarbonylContact O-C 3.29Å; V156-G219 VanDerWaalsContact O-CA 3.25Å; V156-G219 WeakPolarHBondContact O-CA 3.45Å; V156-C220 PolarHBondContact O-N 2.96Å; V156-L221 HydrophobicContact CG1-CB 3.87Å; V156-L221 HydrophobicContact CG1-CD2 4.05Å; V156-L221 VanDerWaalsContact O-CB 3.22Å; V156-L221 WeakPolarHBondContact O-CB 3.36Å; V156-L221 PolarHBondContact O-N 3.19Å
157D95.9Very high95.4Very high57 Ų5747.9 Ų47.931%0.30525%0.25SC..SBendtrans-108.9-37174.3-60.6-91.1000111.1R124 D161 G219R124-D157 IonicContact CZ-OD1 2.77Å; R124-D157 IonicContact CZ-OD2 3.3Å; R124-D157 VanDerWaalsContact CZ-OD2 3.3Å; R124-D157 IonicContact NH1-OD1 2.74Å; R124-D157 PolarHBondContact NH1-OD1 3.49Å; R124-D157 IonicContact NH1-OD2 2.59Å; R124-D157 PolarHBondContact NH1-OD2 2.92Å; R124-D157 IonicContact NH2-OD1 3.12Å; R124-D157 PolarHBondContact NH2-OD1 2.84Å; R124-D157 IonicContact NH2-OD2 3.81Å; D157-D161 PolarHBondContact N-OD2 3.27Å; D157-G219 VanDerWaalsContact C-CA 3.45Å; D157-G219 WeakPolarHBondContact O-CA 3.06Å; D157-G219 PolarHBondContact O-N 3.32Å
158T95.7Very high95.5Very high58 Ų5846.1 Ų46.136%0.35624%0.24SC..SBendtrans-143.8157.1-177.976.90000111.5C154 G155 R160 D161C154-T158 CarbonylContact O-C 3.41Å; C154-T158 VanDerWaalsContact O-C 3.29Å; G155-T158 WeakPolarHBondContact CA-O 3.05Å; T158-R160 PolarHBondContact O-N 2.94Å; T158-R160 PolarHBondContact OG1-N 2.95Å; T158-D161 PolarHBondContact N-OD2 2.96Å; T158-D161 WeakPolarHBondContact O-CB 2.99Å; T158-D161 PolarHBondContact O-N 3.19Å; T158-D161 PolarHBondContact OG1-OD1 3.28Å
159Y95Very high95.5Very high5 Ų548 Ų482%0.0225%0.25CS..G310 helixtrans-59.9-16.5174.668.7-83.4000114.1C154 D161 A203 L206 I215 L217C154-Y159 PolarHBondContact O-N 2.97Å; Y159-D161 VanDerWaalsContact C-N 3.32Å; Y159-A203 WeakPolarHBondContact CE2-O 3.48Å; Y159-L206 PolarHBondContact OH-O 2.92Å; Y159-I215 HydrophobicContact CD1-CD1 4.34Å; Y159-I215 HydrophobicContact CD2-CD1 3.68Å; Y159-I215 HydrophobicContact CE2-CD1 4.43Å; Y159-I215 HydrophobicContact CG-CD1 3.63Å; Y159-L217 HydrophobicContact CD1-CD2 3.72Å; Y159-L217 HydrophobicContact CE1-CD2 3.62Å
160R95.9Very high95.5Very high124 Ų12447.5 Ų47.547%0.46825%0.251SS..G310 helixtrans-79.7-13.7177.5-65.8-174.9177164.62113.4T158 W162 E163T158-R160 PolarHBondContact O-N 2.94Å; T158-R160 PolarHBondContact OG1-N 2.95Å; R160-W162 PolarHBondContact O-N 3.38Å; R160-E163 WeakPolarHBondContact O-CB 3.32Å; R160-E163 PolarHBondContact O-N 2.87Å
161D97Very high95.6Very high32 Ų3249.9 Ų49.917%0.17126%0.258CS..G310 helixtrans-62.3-16.5178.2-57-22.3000112L128 M131 V156 D157 T158 Y159 E163 V164L128-D161 HydrophobicContact CD2-CB 4.3Å; M131-D161 VanDerWaalsContact CE-C 3.47Å; M131-D161 HydrophobicContact CE-CB 3.92Å; M131-D161 WeakPolarHBondContact CE-O 3.2Å; V156-D161 WeakPolarHBondContact CA-OD2 3.24Å; V156-D161 PolarHBondContact N-OD2 3.04Å; D157-D161 PolarHBondContact N-OD2 3.27Å; T158-D161 PolarHBondContact N-OD2 2.96Å; T158-D161 WeakPolarHBondContact O-CB 2.99Å; T158-D161 PolarHBondContact O-N 3.19Å; T158-D161 PolarHBondContact OG1-OD1 3.28Å; Y159-D161 VanDerWaalsContact C-N 3.32Å; D161-E163 PolarHBondContact O-N 3.38Å; D161-E163 VanDerWaalsContact O-N 3.09Å; D161-V164 WeakPolarHBondContact O-CG1 3.5Å; D161-V164 VanDerWaalsContact O-CG2 3.24Å; D161-V164 WeakPolarHBondContact O-CG2 3.2Å; D161-V164 PolarHBondContact O-N 2.02Å; D161-V164 VanDerWaalsContact O-N 3.16Å
162W96.5Very high95.5Very high0 Ų048.7 Ų48.70%025%0.254CS..G310 helixtrans-59.1-14.1171.1-79.6108.5000114.2M131 Y134 T144 Q148 C154 R160 V164 N165 Y168 V180 P181M131-W162 HydrophobicContact CB-CZ3 4.32Å; M131-W162 HydrophobicContact CE-CB 4.33Å; M131-W162 HydrophobicContact CE-CD2 3.57Å; M131-W162 HydrophobicContact CE-CE3 3.93Å; M131-W162 HydrophobicContact CE-CG 3.77Å; M131-W162 HydrophobicContact CE-CZ2 4.29Å; M131-W162 HydrophobicContact CE-CZ3 4.43Å; M131-W162 HydrophobicContact CG-CH2 4.18Å; M131-W162 HydrophobicContact CG-CZ2 4.43Å; M131-W162 HydrophobicContact CG-CZ3 4.35Å; Y134-W162 HydrophobicContact CD1-CH2 4.24Å; Y134-W162 HydrophobicContact CD1-CZ3 4.1Å; Y134-W162 AromaticContact CD2-CH2 3.71Å; Y134-W162 HydrophobicContact CD2-CH2 3.71Å; Y134-W162 HydrophobicContact CD2-CZ3 4.24Å; Y134-W162 HydrophobicContact CE2-CH2 4.05Å; Y134-W162 AromaticContact CG-CH2 3.82Å; Y134-W162 HydrophobicContact CG-CH2 3.82Å; Y134-W162 AromaticContact CG-CZ3 3.86Å; Y134-W162 HydrophobicContact CG-CZ3 3.86Å; T144-W162 HydrophobicContact CG2-CH2 3.93Å; T144-W162 HydrophobicContact CG2-CZ2 4.06Å; Q148-W162 VanDerWaalsContact NE2-CZ2 3.25Å; C154-W162 PolarHBondContact SG-NE1 3.2Å; R160-W162 PolarHBondContact O-N 3.38Å; W162-V164 PolarHBondContact O-N 2.88Å; W162-N165 HydrophobicContact CE3-CB 4.27Å; W162-N165 PolarHBondContact O-N 2.88Å; W162-N165 VanDerWaalsContact O-N 3.1Å; W162-Y168 AromaticContact CE3-CD2 3.64Å; W162-Y168 HydrophobicContact CE3-CD2 3.64Å; W162-Y168 HydrophobicContact CE3-CE2 4.05Å; W162-Y168 HydrophobicContact CE3-CG 4.21Å; W162-Y168 AromaticContact CZ3-CD2 3.97Å; W162-Y168 HydrophobicContact CZ3-CD2 3.97Å; W162-Y168 AromaticContact CZ3-CE2 3.98Å; W162-Y168 HydrophobicContact CZ3-CE2 3.98Å; W162-Y168 WeakPolarHBondContact O-CB 3.31Å; W162-V180 HydrophobicContact CB-CG1 4.27Å; W162-V180 VanDerWaalsContact CD1-CG1 3.45Å; W162-V180 HydrophobicContact CG-CB 4.33Å; W162-V180 HydrophobicContact CG-CG1 4Å; W162-P181 HydrophobicContact CD2-CG 4.15Å; W162-P181 HydrophobicContact CE3-CG 4.19Å; W162-P181 HydrophobicContact CH2-CG 3.28Å; W162-P181 HydrophobicContact CZ2-CB 4.43Å; W162-P181 HydrophobicContact CZ2-CG 3.2Å; W162-P181 HydrophobicContact CZ3-CG 3.78Å
163E95.8Very high95.3Very high104 Ų10449.4 Ų49.449%0.48627%0.27SS..G310 helixtrans-58.8-24.2171.7-171.1173.4-162.600113.3R160 D161 N165 N169R160-E163 WeakPolarHBondContact O-CB 3.32Å; R160-E163 PolarHBondContact O-N 2.87Å; D161-E163 PolarHBondContact O-N 3.38Å; D161-E163 VanDerWaalsContact O-N 3.09Å; E163-N165 PolarHBondContact O-N 3.38Å; E163-N169 WeakPolarHBondContact CG-ND2 3.43Å; E163-N169 PolarHBondContact O-ND2 2.99Å
164V95.8Very high94.9Very high69 Ų6951.3 Ų51.342%0.41829%0.29SS..G310 helixtrans-66.7-21176.3-55.70000113.4L128 M131 D161 W162L128-V164 HydrophobicContact CD2-CG1 4.12Å; L128-V164 HydrophobicContact CD2-CG2 4.41Å; M131-V164 HydrophobicContact CB-CG2 4.02Å; D161-V164 WeakPolarHBondContact O-CG1 3.5Å; D161-V164 VanDerWaalsContact O-CG2 3.24Å; D161-V164 WeakPolarHBondContact O-CG2 3.2Å; D161-V164 PolarHBondContact O-N 2.02Å; D161-V164 VanDerWaalsContact O-N 3.16Å; W162-V164 PolarHBondContact O-N 2.88Å
165N96.1Very high94.5Very high0 Ų057.5 Ų57.50%033%0.328CS..SBendtrans-87.6129.7178.7-176.8-74000110.6M131 A132 W162 E163 Y167 Y168 N169M131-N165 PolarHBondContact O-ND2 2.92Å; A132-N165 PolarHBondContact O-ND2 3.44Å; W162-N165 HydrophobicContact CE3-CB 4.27Å; W162-N165 PolarHBondContact O-N 2.88Å; W162-N165 VanDerWaalsContact O-N 3.1Å; E163-N165 PolarHBondContact O-N 3.38Å; N165-Y167 PolarHBondContact O-N 3.38Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.18Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.29Å; N165-Y167 PolarHBondContact OD1-N 3.46Å; N165-Y168 HydrophobicContact CB-CD2 4.05Å; N165-Y168 PolarHBondContact O-N 3.03Å; N165-Y168 VanDerWaalsContact O-N 3.15Å; N165-Y168 PolarHBondContact OD1-N 2.9Å; N165-N169 WeakPolarHBondContact O-CB 3.2Å; N165-N169 PolarHBondContact O-N 3.45Å
166I94.8Very high94.3Very high112 Ų11260.5 Ų60.557%0.57434%0.343SS*.THydrogen-bonded Turntrans-60-23.5-175.466.3175.9000114.6A172I166-A172 WeakPolarHBondContact O-CB 3.31Å
167Y93.8Very high94.1Very high97 Ų9761.5 Ų61.538%0.3835%0.351SS..THydrogen-bonded Turntrans-90.2-30.8-179.7-59.7-86.5000112.7Q135 N165 L176 A177Q135-Y167 HydrophobicContact CB-CD2 3.52Å; Q135-Y167 HydrophobicContact CB-CE2 3.43Å; Q135-Y167 VanDerWaalsContact CB-CE2 3.43Å; Q135-Y167 HydrophobicContact CB-CG 4.39Å; Q135-Y167 HydrophobicContact CG-CD2 3.43Å; Q135-Y167 VanDerWaalsContact CG-CD2 3.43Å; Q135-Y167 HydrophobicContact CG-CE2 3.91Å; Q135-Y167 HydrophobicContact CG-CG 3.95Å; N165-Y167 PolarHBondContact O-N 3.38Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.18Å; N165-Y167 WeakPolarHBondContact OD1-CD2 3.29Å; N165-Y167 PolarHBondContact OD1-N 3.46Å; Y167-L176 CarbonylContact O-C 3.41Å; Y167-A177 PolarHBondContact O-N 3.12Å
168Y95.6Very high94.1Very high10 Ų1059.4 Ų59.44%0.03934%0.341CS..THydrogen-bonded Turntrans-95.2-13.2-179.9-68.1-74000113.4Y134 Q135 W162 N165 C170 L176 C178 G179 P181 Q204Y134-Y168 HydrophobicContact CD1-CE2 4.02Å; Y134-Y168 HydrophobicContact CE1-CE2 4.13Å; Q135-Y168 PolarHBondContact NE2-OH 2.96Å; W162-Y168 AromaticContact CE3-CD2 3.64Å; W162-Y168 HydrophobicContact CE3-CD2 3.64Å; W162-Y168 HydrophobicContact CE3-CE2 4.05Å; W162-Y168 HydrophobicContact CE3-CG 4.21Å; W162-Y168 AromaticContact CZ3-CD2 3.97Å; W162-Y168 HydrophobicContact CZ3-CD2 3.97Å; W162-Y168 AromaticContact CZ3-CE2 3.98Å; W162-Y168 HydrophobicContact CZ3-CE2 3.98Å; W162-Y168 WeakPolarHBondContact O-CB 3.31Å; N165-Y168 HydrophobicContact CB-CD2 4.05Å; N165-Y168 PolarHBondContact O-N 3.03Å; N165-Y168 VanDerWaalsContact O-N 3.15Å; N165-Y168 PolarHBondContact OD1-N 2.9Å; Y168-C170 PolarHBondContact O-N 3.04Å; Y168-L176 HydrophobicContact CD1-CB 4.02Å; Y168-L176 WeakPolarHBondContact CD1-O 3.44Å; Y168-L176 HydrophobicContact CE1-CB 3.99Å; Y168-L176 HydrophobicContact CE1-CD1 4.48Å; Y168-L176 HydrophobicContact CE1-CD2 4.01Å; Y168-L176 HydrophobicContact CE1-CG 4.38Å; Y168-C178 PolarHBondContact O-N 3Å; Y168-G179 WeakPolarHBondContact CD1-O 3.27Å; Y168-P181 HydrophobicContact CE1-CG 4.49Å; Y168-P181 HydrophobicContact CE2-CG 4.04Å; Y168-Q204 PolarHBondContact O-NE2 3.43Å
169N95.7Very high94.1Very high41 Ų4156.7 Ų56.722%0.21933%0.325CS..SBendtrans-53.8135.8172.4-168.7-65.8000110.9E163 N165 S171 A172E163-N169 WeakPolarHBondContact CG-ND2 3.43Å; E163-N169 PolarHBondContact O-ND2 2.99Å; N165-N169 WeakPolarHBondContact O-CB 3.2Å; N165-N169 PolarHBondContact O-N 3.45Å; N169-S171 PolarHBondContact O-N 2.83Å; N169-S171 VanDerWaalsContact O-N 3.16Å; N169-S171 WeakPolarHBondContact OD1-CB 3.25Å; N169-S171 PolarHBondContact OD1-N 3Å; N169-A172 WeakPolarHBondContact O-CB 3.21Å; N169-A172 PolarHBondContact O-N 3.23Å
170C94.6Very high94.1Very high51 Ų5156.8 Ų56.835%0.34533%0.326SS..THydrogen-bonded Turntrans-61.7-22.7-179.1-85.60000115Y168 A172 C178Y168-C170 PolarHBondContact O-N 3.04Å; C170-A172 VanDerWaalsContact C-N 3.28Å; C170-C178 WeakPolarHBondContact CA-SG 3.29Å; C170-C178 HydrophobicContact CB-CB 4.27Å; C170-C178 WeakPolarHBondContact CB-SG 3.31Å; C170-C178 WeakPolarHBondContact SG-CA 3.25Å; C170-C178 WeakPolarHBondContact SG-CB 3.2Å; C170-C178 CovalentContact SG-SG 2.03Å; C170-C178 PolarHBondContact SG-SG 3.2Å
171S94.6Very high94Very high112 Ų11251 Ų5178%0.78330%0.304SS*.THydrogen-bonded Turntrans-83.9-3.9175.6-56.20000113N169N169-S171 PolarHBondContact O-N 2.83Å; N169-S171 VanDerWaalsContact O-N 3.16Å; N169-S171 WeakPolarHBondContact OD1-CB 3.25Å; N169-S171 PolarHBondContact OD1-N 3Å
172A92.6Very high93.7Very high19 Ų1950.7 Ų50.716%0.15731%0.307CS..  trans-70.4144.3179.400000110.9I166 N169 C170 G174 A177I166-A172 WeakPolarHBondContact O-CB 3.31Å; N169-A172 WeakPolarHBondContact O-CB 3.21Å; N169-A172 PolarHBondContact O-N 3.23Å; C170-A172 VanDerWaalsContact C-N 3.28Å; A172-G174 PolarHBondContact O-N 3.01Å; A172-A177 HydrophobicContact CB-CB 4.09Å; A172-A177 WeakPolarHBondContact O-CB 3.35Å
173P89.4Confident93.5Very high144 Ų14451.2 Ų51.294%0.93531%0.31SS*.SBendtrans-79.4-1.4179.232-35.6000113.7
174G88.7Confident93.4Very high42 Ų4246.2 Ų46.243%0.43329%0.286SS..SBendtrans-89163.4-172.500000114.2A172 L176 A177A172-G174 PolarHBondContact O-N 3.01Å; G174-L176 PolarHBondContact O-N 2.74Å; G174-L176 VanDerWaalsContact O-N 3.14Å; G174-A177 WeakPolarHBondContact O-CB 3.22Å; G174-A177 PolarHBondContact O-N 2.77Å
175V87.9Confident93.2Very high130 Ų13043 Ų4379%0.78827%0.266SS*.THydrogen-bonded Turntrans-64.6-15.7177.1-60.80000114.1
176L91.4Very high92.8Very high63 Ų6346.2 Ų46.233%0.3329%0.286SS..THydrogen-bonded Turntrans-86.7-7.3176.8-62.9172.9000112.6Y167 Y168 G174 G179Y167-L176 CarbonylContact O-C 3.41Å; Y168-L176 HydrophobicContact CD1-CB 4.02Å; Y168-L176 WeakPolarHBondContact CD1-O 3.44Å; Y168-L176 HydrophobicContact CE1-CB 3.99Å; Y168-L176 HydrophobicContact CE1-CD1 4.48Å; Y168-L176 HydrophobicContact CE1-CD2 4.01Å; Y168-L176 HydrophobicContact CE1-CG 4.38Å; G174-L176 PolarHBondContact O-N 2.74Å; G174-L176 VanDerWaalsContact O-N 3.14Å; L176-G179 WeakPolarHBondContact O-CA 3.43Å; L176-G179 PolarHBondContact O-N 3.15Å
177A94.6Very high91.9Very high21 Ų2145.4 Ų45.417%0.17428%0.283CS..THydrogen-bonded Turntrans-58.2139.7-17900000111.5Y167 A172 G174 G179Y167-A177 PolarHBondContact O-N 3.12Å; A172-A177 HydrophobicContact CB-CB 4.09Å; A172-A177 WeakPolarHBondContact O-CB 3.35Å; G174-A177 WeakPolarHBondContact O-CB 3.22Å; G174-A177 PolarHBondContact O-N 2.77Å; A177-G179 PolarHBondContact O-N 3.35Å; A177-G179 VanDerWaalsContact O-N 3.08Å
178C95.3Very high90.4Very high14 Ų1441.9 Ų41.910%0.09527%0.272CS..THydrogen-bonded Turntrans55.616.7-171.2-600000114.5Y168 C170 G202 A203 Q204 L205Y168-C178 PolarHBondContact O-N 3Å; C170-C178 WeakPolarHBondContact CA-SG 3.29Å; C170-C178 HydrophobicContact CB-CB 4.27Å; C170-C178 WeakPolarHBondContact CB-SG 3.31Å; C170-C178 WeakPolarHBondContact SG-CA 3.25Å; C170-C178 WeakPolarHBondContact SG-CB 3.2Å; C170-C178 CovalentContact SG-SG 2.03Å; C170-C178 PolarHBondContact SG-SG 3.2Å; C178-G202 CarbonylContact O-C 3.14Å; C178-G202 VanDerWaalsContact O-CA 3.24Å; C178-G202 WeakPolarHBondContact O-CA 2.96Å; C178-A203 PolarHBondContact O-N 3.31Å; C178-Q204 HydrophobicContact CB-CB 4.31Å; C178-Q204 VanDerWaalsContact O-CB 3.25Å; C178-Q204 WeakPolarHBondContact O-CB 3.37Å; C178-Q204 WeakPolarHBondContact O-CG 3.27Å; C178-Q204 PolarHBondContact O-N 3.46Å; C178-L205 HydrophobicContact CB-CD1 4.09Å; C178-L205 HydrophobicContact CB-CD2 4.38Å; C178-L205 HydrophobicContact CB-CG 3.85Å
179G94.6Very high88.8Confident1 Ų144.4 Ų44.41%0.0129%0.286CS..  trans-98.1179.7-179.600000113.2Y168 L176 A177 G200 Q204Y168-G179 WeakPolarHBondContact CD1-O 3.27Å; L176-G179 WeakPolarHBondContact O-CA 3.43Å; L176-G179 PolarHBondContact O-N 3.15Å; A177-G179 PolarHBondContact O-N 3.35Å; A177-G179 VanDerWaalsContact O-N 3.08Å; G179-G200 CarbonylContact C-O 3.21Å; G179-G200 WeakPolarHBondContact CA-O 3.07Å; G179-Q204 PolarHBondContact O-NE2 3.02Å
180V95.4Very high87Confident6 Ų647.9 Ų47.94%0.03630%0.301CS..  trans-132.2160.8166.5-58.10000108.8W162 C184 G200 A203 Q204 I215W162-V180 HydrophobicContact CB-CG1 4.27Å; W162-V180 VanDerWaalsContact CD1-CG1 3.45Å; W162-V180 HydrophobicContact CG-CB 4.33Å; W162-V180 HydrophobicContact CG-CG1 4Å; V180-C184 HydrophobicContact CB-CB 4.2Å; V180-C184 HydrophobicContact CG2-CB 3.68Å; V180-G200 PolarHBondContact N-O 2.78Å; V180-G200 WeakPolarHBondContact O-CA 3.31Å; V180-A203 HydrophobicContact CG1-CB 4.4Å; V180-A203 HydrophobicContact CG2-CB 3.92Å; V180-Q204 HydrophobicContact CG1-CG 4.2Å; V180-I215 HydrophobicContact CG2-CG2 4.03Å
181P94.1Very high85.3Confident2 Ų252.7 Ų52.71%0.01332%0.323CS..  trans-62156.9174.3-22.533.8000112.8Y134 W162 Y168 T183 C184Y134-P181 HydrophobicContact CE1-CB 4.47Å; Y134-P181 HydrophobicContact CE1-CG 4.05Å; Y134-P181 HydrophobicContact CE2-CG 4.37Å; W162-P181 HydrophobicContact CD2-CG 4.15Å; W162-P181 HydrophobicContact CE3-CG 4.19Å; W162-P181 HydrophobicContact CH2-CG 3.28Å; W162-P181 HydrophobicContact CZ2-CB 4.43Å; W162-P181 HydrophobicContact CZ2-CG 3.2Å; W162-P181 HydrophobicContact CZ3-CG 3.78Å; Y168-P181 HydrophobicContact CE1-CG 4.49Å; Y168-P181 HydrophobicContact CE2-CG 4.04Å; P181-T183 PolarHBondContact O-N 3.38Å; P181-T183 VanDerWaalsContact O-N 3.16Å; P181-C184 WeakPolarHBondContact O-CB 3.35Å; P181-C184 PolarHBondContact O-N 3Å
182A90.8Very high83.7Confident27 Ų2750 Ų5022%0.22331%0.313CS..G310 helixtrans-60.9-24.3178.200000113.4C184 C185A182-C184 PolarHBondContact O-N 2.96Å; A182-C185 WeakPolarHBondContact O-CB 3.36Å; A182-C185 PolarHBondContact O-N 2.87Å; A182-C185 VanDerWaalsContact O-N 3.11Å
183T92.1Very high82.1Confident10 Ų1054.9 Ų54.96%0.06134%0.341CS..G310 helixtrans-67.1-16.8176.143.60000113.6D145 Q148 L149 P181 C185D145-T183 HydrophobicContact CB-CG2 3.79Å; D145-T183 WeakPolarHBondContact OD1-CG2 3.41Å; D145-T183 PolarHBondContact OD1-OG1 3.27Å; Q148-T183 PolarHBondContact OE1-OG1 2.84Å; Q148-T183 VanDerWaalsContact OE1-OG1 3.13Å; L149-T183 HydrophobicContact CD1-CG2 3.76Å; L149-T183 HydrophobicContact CD2-CG2 4Å; L149-T183 HydrophobicContact CG-CG2 3.7Å; P181-T183 PolarHBondContact O-N 3.38Å; P181-T183 VanDerWaalsContact O-N 3.16Å; T183-C185 VanDerWaalsContact C-N 3.32Å
184C94.1Very high80.7Confident0 Ų052.5 Ų52.50%032%0.323CS..G310 helixtrans-78.6-9.3170.8-75.40000114.4Q148 C154 V180 P181 A182 I215 F216Q148-C184 PolarHBondContact OE1-SG 3.25Å; C154-C184 VanDerWaalsContact CA-SG 3.52Å; C154-C184 HydrophobicContact CB-CB 3.61Å; C154-C184 WeakPolarHBondContact CB-SG 3.2Å; C154-C184 WeakPolarHBondContact SG-CB 3.36Å; C154-C184 CovalentContact SG-SG 2.04Å; C154-C184 PolarHBondContact SG-SG 3.23Å; V180-C184 HydrophobicContact CB-CB 4.2Å; V180-C184 HydrophobicContact CG2-CB 3.68Å; P181-C184 WeakPolarHBondContact O-CB 3.35Å; P181-C184 PolarHBondContact O-N 3Å; A182-C184 PolarHBondContact O-N 2.96Å; C184-I215 CarbonylContact O-C 3.54Å; C184-I215 VanDerWaalsContact O-CA 3.27Å; C184-I215 WeakPolarHBondContact O-CA 3.42Å; C184-I215 WeakPolarHBondContact O-CB 3.27Å; C184-F216 VanDerWaalsContact O-CD2 3.25Å; C184-F216 WeakPolarHBondContact O-CD2 3.42Å; C184-F216 PolarHBondContact O-N 3.1Å
185C91.8Very high79.5Confident0 Ų056.9 Ų56.90%033%0.327CS..BIsolated β-bridgetrans-81.7142-171.7-61.10000112.8A182 T183 D187 P188 C199 V214 F216A182-C185 WeakPolarHBondContact O-CB 3.36Å; A182-C185 PolarHBondContact O-N 2.87Å; A182-C185 VanDerWaalsContact O-N 3.11Å; T183-C185 VanDerWaalsContact C-N 3.32Å; C185-D187 VanDerWaalsContact C-N 3.34Å; C185-D187 PolarHBondContact O-N 2.86Å; C185-P188 WeakPolarHBondContact O-CD 3.26Å; C185-C199 HydrophobicContact CB-CB 3.85Å; C185-C199 WeakPolarHBondContact CB-SG 3.38Å; C185-C199 WeakPolarHBondContact SG-CB 3.47Å; C185-C199 CovalentContact SG-SG 1.99Å; C185-C199 PolarHBondContact SG-SG 3.05Å; C185-V214 WeakPolarHBondContact CA-O 3.44Å; C185-F216 VanDerWaalsContact O-CE2 3.22Å; C185-F216 WeakPolarHBondContact O-CE2 3.36Å
186V87.6Confident78.6Confident69 Ų6952.4 Ų52.442%0.41830%0.298SS..SBendtrans-66.6-38.4-177.5179.70000111.5P188 V214 I215 F216V186-P188 WeakPolarHBondContact O-CD 3.36Å; V186-V214 PolarHBondContact N-O 3.32Å; V186-I215 VanDerWaalsContact CG2-C 3.46Å; V186-F216 HydrophobicContact CB-CE1 4.24Å; V186-F216 HydrophobicContact CB-CZ 4.48Å; V186-F216 HydrophobicContact CG1-CE1 4.22Å; V186-F216 HydrophobicContact CG2-CD1 3.95Å; V186-F216 HydrophobicContact CG2-CE1 3.98Å; V186-F216 HydrophobicContact CG2-CG 4.48Å
187D76.2Confident77.5Confident94 Ų9453.6 Ų53.650%0.50331%0.312SS..SBendtrans-117.784.5169.5-170.311.1000109.2C185 L189C185-D187 VanDerWaalsContact C-N 3.34Å; C185-D187 PolarHBondContact O-N 2.86Å; D187-L189 PolarHBondContact O-N 2.86Å; D187-L189 PolarHBondContact OD1-N 3.43Å; D187-L189 VanDerWaalsContact OD1-O 3.08Å
188P61.1Low76.8Confident23 Ų2359.9 Ų59.915%0.14934%0.338CS..SBendtrans-70-13.4-177.627.8-31.7000112.3C185 V186 W195 N196C185-P188 WeakPolarHBondContact O-CD 3.26Å; V186-P188 WeakPolarHBondContact O-CD 3.36Å; P188-W195 HydrophobicContact CB-CE3 3.84Å; P188-W195 HydrophobicContact CB-CZ3 3.54Å; P188-W195 HydrophobicContact CG-CZ3 4.32Å; P188-W195 CarbonylContact O-C 3.54Å; P188-W195 VanDerWaalsContact O-CA 3.27Å; P188-W195 WeakPolarHBondContact O-CA 3.33Å; P188-N196 PolarHBondContact O-N 3.49Å
189L63Low76.4Confident64 Ų6460 Ų6034%0.33534%0.338SS..EExtended strand (participates in β ladder)trans-123.387.5-176.5-74.6147.1000109.9D187 N191 G192 V194D187-L189 PolarHBondContact O-N 2.86Å; D187-L189 PolarHBondContact OD1-N 3.43Å; D187-L189 VanDerWaalsContact OD1-O 3.08Å; L189-N191 PolarHBondContact O-N 3.39Å; L189-G192 PolarHBondContact O-N 3.4Å; L189-V194 CarbonylContact C-O 3.4Å; L189-V194 WeakPolarHBondContact CA-O 3.35Å
190E57.8Low76.1Confident114 Ų11460 Ų6053%0.53334%0.339SS..EExtended strand (participates in β ladder)trans-58112.8177.1-162.6172.7-173.100109.5G192 V194 N196E190-G192 PolarHBondContact O-N 3.41Å; E190-V194 PolarHBondContact N-O 2.98Å; E190-V194 VanDerWaalsContact N-O 3.1Å; E190-N196 HydrophobicContact CB-CB 4.27Å
191N58.5Low75.9Confident152 Ų15263.8 Ų63.881%0.81336%0.362SS*.THydrogen-bonded Turntrans58.622.6-172.4-61.7-45.4000116L189 T193L189-N191 PolarHBondContact O-N 3.39Å; N191-T193 VanDerWaalsContact C-N 3.32Å; N191-T193 PolarHBondContact O-N 2.88Å
192G60.7Low75.8Confident54 Ų5464.6 Ų64.656%0.55737%0.371SS*.THydrogen-bonded Turntrans78.72.1169.700000116.5L189 E190L189-G192 PolarHBondContact O-N 3.4Å; E190-G192 PolarHBondContact O-N 3.41Å
193T59.3Low75.9Confident122 Ų12263.3 Ų63.375%0.74836%0.36SS*.THydrogen-bonded Turntrans-125.3-18.3-175.158.20000115.6N191N191-T193 VanDerWaalsContact C-N 3.32Å; N191-T193 PolarHBondContact O-N 2.88Å
194V60.5Low76Confident94 Ų9463.6 Ų63.657%0.5736%0.361SS*.EExtended strand (participates in β ladder)trans-134130.4-176.6-179.20000109.5L189 E190 N196L189-V194 CarbonylContact C-O 3.4Å; L189-V194 WeakPolarHBondContact CA-O 3.35Å; E190-V194 PolarHBondContact N-O 2.98Å; E190-V194 VanDerWaalsContact N-O 3.1Å; V194-N196 PolarHBondContact O-N 2.74Å
195W62.9Low76Confident135 Ų13569.8 Ų69.851%0.51139%0.393SS..EExtended strand (participates in β ladder)trans-63.1120.9172.6-75.895.3000109.9L149 P188 S197L149-W195 HydrophobicContact CD1-CH2 4.31Å; L149-W195 HydrophobicContact CD2-CH2 4.42Å; L149-W195 HydrophobicContact CD2-CZ3 4.45Å; P188-W195 HydrophobicContact CB-CE3 3.84Å; P188-W195 HydrophobicContact CB-CZ3 3.54Å; P188-W195 HydrophobicContact CG-CZ3 4.32Å; P188-W195 CarbonylContact O-C 3.54Å; P188-W195 VanDerWaalsContact O-CA 3.27Å; P188-W195 WeakPolarHBondContact O-CA 3.33Å; W195-S197 VanDerWaalsContact C-N 3.26Å; W195-S197 PolarHBondContact O-N 3.32Å
196N68.1Low76Confident35 Ų3572.2 Ų72.219%0.18741%0.406CS..  trans-75.184.5170.7-172.2-10.5000108.1P188 E190 V194 Q198 C199P188-N196 PolarHBondContact O-N 3.49Å; E190-N196 HydrophobicContact CB-CB 4.27Å; V194-N196 PolarHBondContact O-N 2.74Å; N196-Q198 PolarHBondContact O-N 2.98Å; N196-Q198 PolarHBondContact OD1-N 2.87Å; N196-Q198 VanDerWaalsContact OD1-N 3.09Å; N196-C199 PolarHBondContact O-SG 3.13Å; N196-C199 PolarHBondContact OD1-N 3.3Å
197S69.4Low76.3Confident88 Ų8872.9 Ų72.962%0.61541%0.407SS*.  trans-74-7.1175.555.90000113W195W195-S197 VanDerWaalsContact C-N 3.26Å; W195-S197 PolarHBondContact O-N 3.32Å
198Q79.8Confident77Confident153 Ų15374.7 Ų74.772%0.71541%0.413SS*.SBendtrans-93-22.2-175.1-64.3-170.6-24.800113.6N196 G200 V201N196-Q198 PolarHBondContact O-N 2.98Å; N196-Q198 PolarHBondContact OD1-N 2.87Å; N196-Q198 VanDerWaalsContact OD1-N 3.09Å; Q198-G200 PolarHBondContact O-N 3.11Å; Q198-V201 WeakPolarHBondContact O-CB 3.29Å; Q198-V201 PolarHBondContact O-N 2.86Å; Q198-V201 VanDerWaalsContact O-N 3.08Å
199C86.5Confident78.4Confident16 Ų1681.3 Ų81.311%0.10844%0.439CS..THydrogen-bonded Turntrans-55.7-33.6178.454.80000113.5C185 N196 V214C185-C199 HydrophobicContact CB-CB 3.85Å; C185-C199 WeakPolarHBondContact CB-SG 3.38Å; C185-C199 WeakPolarHBondContact SG-CB 3.47Å; C185-C199 CovalentContact SG-SG 1.99Å; C185-C199 PolarHBondContact SG-SG 3.05Å; N196-C199 PolarHBondContact O-SG 3.13Å; N196-C199 PolarHBondContact OD1-N 3.3Å; C199-V214 HydrophobicContact CB-CG1 3.82Å; C199-V214 WeakPolarHBondContact O-CG1 3.38Å
200G88.6Confident79.7Confident2 Ų280.9 Ų80.92%0.02144%0.44CS..THydrogen-bonded Turntrans-80.4-11.8-178.800000114.3G179 V180 Q198 G202 A203G179-G200 CarbonylContact C-O 3.21Å; G179-G200 WeakPolarHBondContact CA-O 3.07Å; V180-G200 PolarHBondContact N-O 2.78Å; V180-G200 WeakPolarHBondContact O-CA 3.31Å; Q198-G200 PolarHBondContact O-N 3.11Å; G200-G202 PolarHBondContact O-N 3.48Å; G200-A203 WeakPolarHBondContact O-CB 3.02Å; G200-A203 PolarHBondContact O-N 3.16Å
201V90.9Very high81.3Confident85 Ų8575.5 Ų75.552%0.51541%0.414SS..THydrogen-bonded Turntrans-70.8124.8-174.3178.40000110.4Q198 A203Q198-V201 WeakPolarHBondContact O-CB 3.29Å; Q198-V201 PolarHBondContact O-N 2.86Å; Q198-V201 VanDerWaalsContact O-N 3.08Å; V201-A203 PolarHBondContact O-N 2.91Å
202G91.8Very high82.8Confident20 Ų2073.2 Ų73.221%0.20640%0.399CS..THydrogen-bonded Turntrans66.710.6-17900000114.4C178 G200 Q204 L205C178-G202 CarbonylContact O-C 3.14Å; C178-G202 VanDerWaalsContact O-CA 3.24Å; C178-G202 WeakPolarHBondContact O-CA 2.96Å; G200-G202 PolarHBondContact O-N 3.48Å; G202-Q204 PolarHBondContact O-N 3.03Å; G202-Q204 VanDerWaalsContact O-N 3.17Å; G202-L205 WeakPolarHBondContact O-CB 3.34Å; G202-L205 PolarHBondContact O-N 3.22Å
203A92.6Very high84.1Confident0 Ų074.9 Ų74.90%040%0.402CS..G310 helixtrans-59.7-29.3-175.900000113.1Y159 C178 V180 G200 V201 L205 L206 I215Y159-A203 WeakPolarHBondContact CE2-O 3.48Å; C178-A203 PolarHBondContact O-N 3.31Å; V180-A203 HydrophobicContact CG1-CB 4.4Å; V180-A203 HydrophobicContact CG2-CB 3.92Å; G200-A203 WeakPolarHBondContact O-CB 3.02Å; G200-A203 PolarHBondContact O-N 3.16Å; V201-A203 PolarHBondContact O-N 2.91Å; A203-L205 PolarHBondContact O-N 3.35Å; A203-L206 WeakPolarHBondContact O-CB 3.47Å; A203-L206 PolarHBondContact O-N 2.71Å; A203-I215 HydrophobicContact CB-CD1 4.12Å; A203-I215 HydrophobicContact CB-CG2 4.32Å
204Q94.3Very high85.5Confident15 Ų1571.3 Ų71.37%0.0738%0.38CS..G310 helixtrans-66.4-21.2176.5-61.7-175.436.900113.5Y168 C178 G179 V180 G202Y168-Q204 PolarHBondContact O-NE2 3.43Å; C178-Q204 HydrophobicContact CB-CB 4.31Å; C178-Q204 VanDerWaalsContact O-CB 3.25Å; C178-Q204 WeakPolarHBondContact O-CB 3.37Å; C178-Q204 WeakPolarHBondContact O-CG 3.27Å; C178-Q204 PolarHBondContact O-N 3.46Å; G179-Q204 PolarHBondContact O-NE2 3.02Å; V180-Q204 HydrophobicContact CG1-CG 4.2Å; G202-Q204 PolarHBondContact O-N 3.03Å; G202-Q204 VanDerWaalsContact O-N 3.17Å
205L94.1Very high87.1Confident131 Ų13166.9 Ų66.969%0.68635%0.353SS*.G310 helixtrans-86.1-14.1178.4-61.6172.9000113.2C178 G202 A203C178-L205 HydrophobicContact CB-CD1 4.09Å; C178-L205 HydrophobicContact CB-CD2 4.38Å; C178-L205 HydrophobicContact CB-CG 3.85Å; G202-L205 WeakPolarHBondContact O-CB 3.34Å; G202-L205 PolarHBondContact O-N 3.22Å; A203-L205 PolarHBondContact O-N 3.35Å
206L92.9Very high88.6Confident51 Ų5162 Ų6227%0.26734%0.335SS..SBendtrans-71.6146.7179.2-61.7176.6000110.2Y159 A203 T210 A211Y159-L206 PolarHBondContact OH-O 2.92Å; A203-L206 WeakPolarHBondContact O-CB 3.47Å; A203-L206 PolarHBondContact O-N 2.71Å; L206-T210 HydrophobicContact CD1-CG2 4.47Å; L206-T210 HydrophobicContact CD2-CG2 4.05Å; L206-A211 HydrophobicContact CB-CB 4Å
207D92.6Very high89.7Confident83 Ų8362.9 Ų62.944%0.44434%0.34SS..  trans-70.6154.8164.864.4-80.9000110F209 T210 A211D207-F209 PolarHBondContact O-N 3.49Å; D207-F209 WeakPolarHBondContact OD2-CA 3.24Å; D207-F209 VanDerWaalsContact OD2-CB 3.29Å; D207-F209 WeakPolarHBondContact OD2-CB 3.31Å; D207-F209 PolarHBondContact OD2-N 3.1Å; D207-T210 VanDerWaalsContact CG-OG1 3.31Å; D207-T210 PolarHBondContact O-N 3.17Å; D207-T210 VanDerWaalsContact O-N 3.1Å; D207-T210 WeakPolarHBondContact OD1-CB 3.41Å; D207-T210 PolarHBondContact OD1-OG1 2.83Å; D207-T210 PolarHBondContact OD2-N 3.17Å; D207-T210 PolarHBondContact OD2-OG1 2.04Å; D207-A211 VanDerWaalsContact O-CB 3.31Å; D207-A211 WeakPolarHBondContact O-CB 3.4Å; D207-A211 PolarHBondContact O-N 3.42Å
208E91.2Very high90.8Very high131 Ų13160.4 Ų60.461%0.61233%0.328SS*.Hα-helixtrans-57.1-34.7-177.2-68.7179.717900112.7T210 A211 Q212 L217E208-T210 PolarHBondContact O-N 3.03Å; E208-A211 PolarHBondContact O-N 3.48Å; E208-Q212 PolarHBondContact O-N 2.9Å; E208-L217 HydrophobicContact CB-CD1 4.39Å
209F90.8Very high91.6Very high163 Ų16353.6 Ų53.672%0.71530%0.299SS*.Hα-helixtrans-68.5-34.8-179.5178.3-90.1000112.3D207 Q212D207-F209 PolarHBondContact O-N 3.49Å; D207-F209 WeakPolarHBondContact OD2-CA 3.24Å; D207-F209 VanDerWaalsContact OD2-CB 3.29Å; D207-F209 WeakPolarHBondContact OD2-CB 3.31Å; D207-F209 PolarHBondContact OD2-N 3.1Å; F209-Q212 VanDerWaalsContact CD2-NE2 3.33Å; F209-Q212 VanDerWaalsContact O-CG 3.28Å; F209-Q212 WeakPolarHBondContact O-CG 3.41Å; F209-Q212 PolarHBondContact O-NE2 2.99Å
210T91.3Very high92.1Very high55 Ų5552.9 Ų52.934%0.33729%0.294SS..Hα-helixtrans-78.2-44.6172.3-54.50000111.1L206 D207 E208 Q212 S213L206-T210 HydrophobicContact CD1-CG2 4.47Å; L206-T210 HydrophobicContact CD2-CG2 4.05Å; D207-T210 VanDerWaalsContact CG-OG1 3.31Å; D207-T210 PolarHBondContact O-N 3.17Å; D207-T210 VanDerWaalsContact O-N 3.1Å; D207-T210 WeakPolarHBondContact OD1-CB 3.41Å; D207-T210 PolarHBondContact OD1-OG1 2.83Å; D207-T210 PolarHBondContact OD2-N 3.17Å; D207-T210 PolarHBondContact OD2-OG1 2.04Å; E208-T210 PolarHBondContact O-N 3.03Å; T210-Q212 VanDerWaalsContact C-N 3.33Å; T210-Q212 PolarHBondContact O-N 3.43Å; T210-S213 PolarHBondContact O-N 2.85Å; T210-S213 PolarHBondContact O-OG 2.72Å
211A90.3Very high92.4Very high0 Ų052.9 Ų52.90%029%0.293CS..Hα-helixtrans-60.5-37-175.700000113.2L206 D207 E208 S213 V214 I215 L217L206-A211 HydrophobicContact CB-CB 4Å; D207-A211 VanDerWaalsContact O-CB 3.31Å; D207-A211 WeakPolarHBondContact O-CB 3.4Å; D207-A211 PolarHBondContact O-N 3.42Å; E208-A211 PolarHBondContact O-N 3.48Å; A211-S213 PolarHBondContact O-N 3.21Å; A211-V214 PolarHBondContact O-N 3.24Å; A211-I215 HydrophobicContact CB-CD1 4.36Å; A211-I215 HydrophobicContact CB-CG1 4.11Å; A211-I215 WeakPolarHBondContact O-CG1 3.44Å; A211-I215 PolarHBondContact O-N 3.07Å; A211-L217 HydrophobicContact CB-CD2 3.83Å
212Q90.2Very high92.6Very high104 Ų10450.6 Ų50.649%0.48629%0.288SS..THydrogen-bonded Turntrans-57.3-23.3178.773-169.4-29.600114.6E208 F209 T210 L217E208-Q212 PolarHBondContact O-N 2.9Å; F209-Q212 VanDerWaalsContact CD2-NE2 3.33Å; F209-Q212 VanDerWaalsContact O-CG 3.28Å; F209-Q212 WeakPolarHBondContact O-CG 3.41Å; F209-Q212 PolarHBondContact O-NE2 2.99Å; T210-Q212 VanDerWaalsContact C-N 3.33Å; T210-Q212 PolarHBondContact O-N 3.43Å; Q212-L217 HydrophobicContact CB-CD1 3.51Å; Q212-L217 HydrophobicContact CB-CG 4.12Å
213S87.9Confident92.7Very high90 Ų9049.9 Ų49.963%0.62928%0.28SS*.THydrogen-bonded Turntrans-86.7-10.4-179.667.90000113.4T210 A211T210-S213 PolarHBondContact O-N 2.85Å; T210-S213 PolarHBondContact O-OG 2.72Å; A211-S213 PolarHBondContact O-N 3.21Å
214V89.6Confident92.8Very high46 Ų4651.3 Ų51.328%0.27929%0.287SS..THydrogen-bonded Turntrans-120.9-41.3-172.8-173.20000111.3C185 V186 C199 A211C185-V214 WeakPolarHBondContact CA-O 3.44Å; V186-V214 PolarHBondContact N-O 3.32Å; C199-V214 HydrophobicContact CB-CG1 3.82Å; C199-V214 WeakPolarHBondContact O-CG1 3.38Å; A211-V214 PolarHBondContact O-N 3.24Å
215I94.1Very high92.7Very high1 Ų152.5 Ų52.51%0.00530%0.297CS..BIsolated β-bridgetrans-130158.3-176.662.1160.8000112.3Y159 V180 C184 V186 A203 A211 L217Y159-I215 HydrophobicContact CD1-CD1 4.34Å; Y159-I215 HydrophobicContact CD2-CD1 3.68Å; Y159-I215 HydrophobicContact CE2-CD1 4.43Å; Y159-I215 HydrophobicContact CG-CD1 3.63Å; V180-I215 HydrophobicContact CG2-CG2 4.03Å; C184-I215 CarbonylContact O-C 3.54Å; C184-I215 VanDerWaalsContact O-CA 3.27Å; C184-I215 WeakPolarHBondContact O-CA 3.42Å; C184-I215 WeakPolarHBondContact O-CB 3.27Å; V186-I215 VanDerWaalsContact CG2-C 3.46Å; A203-I215 HydrophobicContact CB-CD1 4.12Å; A203-I215 HydrophobicContact CB-CG2 4.32Å; A211-I215 HydrophobicContact CB-CD1 4.36Å; A211-I215 HydrophobicContact CB-CG1 4.11Å; A211-I215 WeakPolarHBondContact O-CG1 3.44Å; A211-I215 PolarHBondContact O-N 3.07Å; I215-L217 PolarHBondContact O-N 2.84Å
216F93.6Very high92.6Very high32 Ų3253.1 Ų53.114%0.1429%0.29CS..  trans-70121.1170.5-59.9-61.5000110.2Q152 C154 C184 C185 V186Q152-F216 HydrophobicContact CB-CD1 3.95Å; Q152-F216 HydrophobicContact CB-CD2 4.32Å; Q152-F216 HydrophobicContact CB-CE1 3.65Å; Q152-F216 HydrophobicContact CB-CE2 4.04Å; Q152-F216 HydrophobicContact CB-CG 4.29Å; Q152-F216 HydrophobicContact CB-CZ 3.7Å; Q152-F216 HydrophobicContact CG-CE1 4.18Å; Q152-F216 HydrophobicContact CG-CE2 4.35Å; Q152-F216 HydrophobicContact CG-CZ 3.86Å; Q152-F216 WeakPolarHBondContact O-CB 3.37Å; Q152-F216 WeakPolarHBondContact O-CD1 3.23Å; Q152-F216 VanDerWaalsContact O-CG 3.27Å; Q152-F216 WeakPolarHBondContact O-CG 3.47Å; C154-F216 WeakPolarHBondContact CB-O 3.45Å; C184-F216 VanDerWaalsContact O-CD2 3.25Å; C184-F216 WeakPolarHBondContact O-CD2 3.42Å; C184-F216 PolarHBondContact O-N 3.1Å; C185-F216 VanDerWaalsContact O-CE2 3.22Å; C185-F216 WeakPolarHBondContact O-CE2 3.36Å; V186-F216 HydrophobicContact CB-CE1 4.24Å; V186-F216 HydrophobicContact CB-CZ 4.48Å; V186-F216 HydrophobicContact CG1-CE1 4.22Å; V186-F216 HydrophobicContact CG2-CD1 3.95Å; V186-F216 HydrophobicContact CG2-CE1 3.98Å; V186-F216 HydrophobicContact CG2-CG 4.48Å
217L91.9Very high92.6Very high55 Ų5556.5 Ų56.529%0.28830%0.3SS..  trans-80.3-25.7178.6-74.3178.3000113.8Y159 E208 A211 Q212 I215Y159-L217 HydrophobicContact CD1-CD2 3.72Å; Y159-L217 HydrophobicContact CE1-CD2 3.62Å; E208-L217 HydrophobicContact CB-CD1 4.39Å; A211-L217 HydrophobicContact CB-CD2 3.83Å; Q212-L217 HydrophobicContact CB-CD1 3.51Å; Q212-L217 HydrophobicContact CB-CG 4.12Å; I215-L217 PolarHBondContact O-N 2.84Å
218G92.1Very high92.6Very high36 Ų3656.2 Ų56.237%0.37130%0.297SS..SBendtrans-70.9132.5-175.200000111.8C153 C154C153-G218 CarbonylContact C-O 3.54Å; C153-G218 VanDerWaalsContact CA-O 3.24Å; C153-G218 WeakPolarHBondContact CA-O 3.43Å; C153-G218 WeakPolarHBondContact CB-O 3.33Å; C154-G218 PolarHBondContact N-O 3.44Å
219G95.8Very high92.6Very high9 Ų956.3 Ų56.39%0.09330%0.298CS..  trans-65.4142.1170.500000112.8V156 D157 L221 G223V156-G219 CarbonylContact O-C 3.29Å; V156-G219 VanDerWaalsContact O-CA 3.25Å; V156-G219 WeakPolarHBondContact O-CA 3.45Å; D157-G219 VanDerWaalsContact C-CA 3.45Å; D157-G219 WeakPolarHBondContact O-CA 3.06Å; D157-G219 PolarHBondContact O-N 3.32Å; G219-L221 VanDerWaalsContact C-N 3.33Å; G219-L221 PolarHBondContact O-N 3.05Å; G219-G223 PolarHBondContact O-N 3.36Å; G219-G223 VanDerWaalsContact O-N 3.11Å
220C97.3Very high92.8Very high2 Ų255.9 Ų55.91%0.01430%0.298CS..Hα-helixtrans-68.6-28.9-178.8-65.90000113.4M127 I147 C153 G155 V156 G223 I224M127-C220 HydrophobicContact CE-CB 3.45Å; M127-C220 VanDerWaalsContact CE-CB 3.45Å; I147-C220 HydrophobicContact CG2-CB 3.95Å; C153-C220 VanDerWaalsContact C-SG 3.57Å; C153-C220 HydrophobicContact CB-CB 3.9Å; C153-C220 WeakPolarHBondContact CB-SG 3.48Å; C153-C220 WeakPolarHBondContact SG-CA 3.28Å; C153-C220 WeakPolarHBondContact SG-CB 3.37Å; C153-C220 CovalentContact SG-SG 2.02Å; C153-C220 PolarHBondContact SG-SG 2.9Å; G155-C220 WeakPolarHBondContact O-CB 2.93Å; G155-C220 PolarHBondContact O-N 3.03Å; G155-C220 PolarHBondContact O-SG 2.71Å; V156-C220 PolarHBondContact O-N 2.96Å; C220-G223 CarbonylContact O-C 3.54Å; C220-G223 WeakPolarHBondContact O-CA 3.45Å; C220-G223 PolarHBondContact O-N 2.82Å; C220-G223 VanDerWaalsContact O-N 3.16Å; C220-I224 VanDerWaalsContact O-CG1 3.31Å; C220-I224 WeakPolarHBondContact O-CG1 3.35Å; C220-I224 PolarHBondContact O-N 2.84Å
221L95.5Very high92.9Very high1 Ų156 Ų561%0.00529%0.294CS..Hα-helixtrans-63.3-48.5177.1-174.765.6000111.3E120 L123 R124 M127 V156 G219 G223 I224 S225E120-L221 HydrophobicContact CG-CD1 4.04Å; E120-L221 HydrophobicContact CG-CD2 3.72Å; E120-L221 HydrophobicContact CG-CG 3.96Å; L123-L221 HydrophobicContact CB-CD1 3.72Å; L123-L221 HydrophobicContact CD1-CD1 4.5Å; R124-L221 HydrophobicContact CB-CD2 3.76Å; R124-L221 HydrophobicContact CG-CD2 4.14Å; M127-L221 HydrophobicContact SD-CB 4.43Å; M127-L221 HydrophobicContact SD-CD1 4.2Å; V156-L221 HydrophobicContact CG1-CB 3.87Å; V156-L221 HydrophobicContact CG1-CD2 4.05Å; V156-L221 VanDerWaalsContact O-CB 3.22Å; V156-L221 WeakPolarHBondContact O-CB 3.36Å; V156-L221 PolarHBondContact O-N 3.19Å; G219-L221 VanDerWaalsContact C-N 3.33Å; G219-L221 PolarHBondContact O-N 3.05Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 2.96Å; L221-I224 PolarHBondContact O-N 3.4Å; L221-S225 PolarHBondContact O-N 2.9Å; L221-S225 PolarHBondContact O-OG 3.05Å
222G94.4Very high93Very high38 Ų3862.4 Ų62.439%0.39233%0.325SS..Hα-helixtrans-65.6-29.3172.700000112.8R226G222-R226 WeakPolarHBondContact O-CG 3.31Å; G222-R226 PolarHBondContact O-N 2.59Å; G222-R226 VanDerWaalsContact O-N 3.11Å; G222-R226 PolarHBondContact O-NE 2.93Å
223G94Very high93.2Very high4 Ų459.8 Ų59.84%0.04133%0.325CS..Hα-helixtrans-62.2-47169.300000112.9G219 C220 L221 R226 W227G219-G223 PolarHBondContact O-N 3.36Å; G219-G223 VanDerWaalsContact O-N 3.11Å; C220-G223 CarbonylContact O-C 3.54Å; C220-G223 WeakPolarHBondContact O-CA 3.45Å; C220-G223 PolarHBondContact O-N 2.82Å; C220-G223 VanDerWaalsContact O-N 3.16Å; L221-G223 VanDerWaalsContact C-N 3.26Å; L221-G223 PolarHBondContact O-N 2.96Å; G223-R226 PolarHBondContact O-N 3.48Å; G223-W227 WeakPolarHBondContact O-CB 2.93Å; G223-W227 PolarHBondContact O-N 3.02Å
224I93.9Very high93.5Very high31 Ų3160.8 Ų60.816%0.15932%0.323CS..Hα-helixtrans-61-48.5176.5-69.2165.3000110M127 L151 C220 L221 R226 W227 I228M127-I224 HydrophobicContact CE-CD1 4.19Å; M127-I224 HydrophobicContact SD-CD1 3.87Å; L151-I224 HydrophobicContact CD1-CB 4.43Å; L151-I224 HydrophobicContact CD1-CD1 4.47Å; L151-I224 HydrophobicContact CD1-CG1 3.45Å; L151-I224 VanDerWaalsContact CD1-CG1 3.45Å; C220-I224 VanDerWaalsContact O-CG1 3.31Å; C220-I224 WeakPolarHBondContact O-CG1 3.35Å; C220-I224 PolarHBondContact O-N 2.84Å; L221-I224 PolarHBondContact O-N 3.4Å; I224-R226 PolarHBondContact O-N 3.22Å; I224-W227 WeakPolarHBondContact O-CB 3.32Å; I224-W227 PolarHBondContact O-N 3.09Å; I224-W227 VanDerWaalsContact O-N 3.14Å; I224-I228 HydrophobicContact CG2-CD1 3.77Å; I224-I228 HydrophobicContact CG2-CG1 4.34Å; I224-I228 WeakPolarHBondContact O-CG1 3.39Å; I224-I228 PolarHBondContact O-N 1.99Å
225S92.3Very high93.7Very high39 Ų3962.3 Ų62.327%0.27333%0.329SS..Hα-helixtrans-57.8-47.5179.1-58.80000111.6L221 W227 I228 E229L221-S225 PolarHBondContact O-N 2.9Å; L221-S225 PolarHBondContact O-OG 3.05Å; S225-W227 VanDerWaalsContact C-N 3.34Å; S225-W227 PolarHBondContact O-N 2.88Å; S225-I228 PolarHBondContact O-N 3.31Å; S225-E229 WeakPolarHBondContact O-CG 3.45Å; S225-E229 PolarHBondContact O-N 2.81Å
226R93.2Very high93.7Very high144 Ų14464.3 Ų64.354%0.54335%0.349SS..Hα-helixtrans-62.4-39.7175.9-74.6-179-68121.2-6.7112.7G222 G223 I224 I228 E229 Q230G222-R226 WeakPolarHBondContact O-CG 3.31Å; G222-R226 PolarHBondContact O-N 2.59Å; G222-R226 VanDerWaalsContact O-N 3.11Å; G222-R226 PolarHBondContact O-NE 2.93Å; G223-R226 PolarHBondContact O-N 3.48Å; I224-R226 PolarHBondContact O-N 3.22Å; R226-I228 VanDerWaalsContact C-N 3.33Å; R226-E229 PolarHBondContact O-N 3.39Å; R226-Q230 WeakPolarHBondContact O-CB 3.48Å; R226-Q230 PolarHBondContact O-N 3.06Å
227W92.7Very high93.8Very high123 Ų12366.8 Ų66.847%0.46637%0.367SS..Hα-helixtrans-63-42.6177-177.492.9000111.2L151 G223 I224 S225 Q230 H231 I235L151-W227 HydrophobicContact CD2-CB 4.09Å; L151-W227 HydrophobicContact CD2-CG 4.23Å; G223-W227 WeakPolarHBondContact O-CB 2.93Å; G223-W227 PolarHBondContact O-N 3.02Å; I224-W227 WeakPolarHBondContact O-CB 3.32Å; I224-W227 PolarHBondContact O-N 3.09Å; I224-W227 VanDerWaalsContact O-N 3.14Å; S225-W227 VanDerWaalsContact C-N 3.34Å; S225-W227 PolarHBondContact O-N 2.88Å; W227-Q230 PolarHBondContact O-N 3.12Å; W227-H231 AromaticContact CD1-CE1 3.8Å; W227-H231 AromaticContact CD1-ND1 3.79Å; W227-H231 AromaticContact CD2-ND1 3.96Å; W227-H231 AromaticContact CE2-ND1 3.79Å; W227-H231 AromaticContact CG-ND1 3.96Å; W227-H231 AromaticContact NE1-CE1 3.62Å; W227-H231 AromaticContact NE1-ND1 3.68Å; W227-H231 WeakPolarHBondContact O-CB 3.39Å; W227-H231 PolarHBondContact O-N 2.91Å; W227-H231 PolarHBondContact O-ND1 3.43Å; W227-I235 HydrophobicContact CZ3-CD1 4.04Å
228I91.9Very high93.9Very high77 Ų7768 Ų6840%0.39538%0.377SS..Hα-helixtrans-63.8-50.7176.3-67.8171.1000110.2I224 S225 R226 Q230 H231 E232I224-I228 HydrophobicContact CG2-CD1 3.77Å; I224-I228 HydrophobicContact CG2-CG1 4.34Å; I224-I228 WeakPolarHBondContact O-CG1 3.39Å; I224-I228 PolarHBondContact O-N 1.99Å; S225-I228 PolarHBondContact O-N 3.31Å; R226-I228 VanDerWaalsContact C-N 3.33Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 2.77Å; I228-H231 CarbonylContact O-C 3.56Å; I228-H231 PolarHBondContact O-N 3.4Å; I228-H231 VanDerWaalsContact O-N 3.07Å; I228-E232 WeakPolarHBondContact O-CA 3.41Å; I228-E232 WeakPolarHBondContact O-CB 3.45Å; I228-E232 PolarHBondContact O-N 3.3Å
229E91.6Very high94.1Very high132 Ų13268 Ų6862%0.61738%0.377SS*.Hα-helixtrans-57.4-41.1178-73.1173.5-178.800111.7S225 R226 H231 E232S225-E229 WeakPolarHBondContact O-CG 3.45Å; S225-E229 PolarHBondContact O-N 2.81Å; R226-E229 PolarHBondContact O-N 3.39Å; E229-H231 VanDerWaalsContact C-N 3.31Å; E229-H231 PolarHBondContact O-N 3.4Å; E229-E232 WeakPolarHBondContact O-CG 3.33Å
230Q94.9Very high94.1Very high155 Ų15572.8 Ų72.872%0.72440%0.404SS*.Hα-helixtrans-68.9-29.4178.7-173.8175.52.600112.9R226 W227 I228R226-Q230 WeakPolarHBondContact O-CB 3.48Å; R226-Q230 PolarHBondContact O-N 3.06Å; W227-Q230 PolarHBondContact O-N 3.12Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 2.77Å
231H94.3Very high94.1Very high56 Ų5676.8 Ų76.826%0.25943%0.428SS..Hα-helixtrans-110.69.4-175.8-62.986.4000113.8W227 I228 E229 G233 L234 I235W227-H231 AromaticContact CD1-CE1 3.8Å; W227-H231 AromaticContact CD1-ND1 3.79Å; W227-H231 AromaticContact CD2-ND1 3.96Å; W227-H231 AromaticContact CE2-ND1 3.79Å; W227-H231 AromaticContact CG-ND1 3.96Å; W227-H231 AromaticContact NE1-CE1 3.62Å; W227-H231 AromaticContact NE1-ND1 3.68Å; W227-H231 WeakPolarHBondContact O-CB 3.39Å; W227-H231 PolarHBondContact O-N 2.91Å; W227-H231 PolarHBondContact O-ND1 3.43Å; I228-H231 CarbonylContact O-C 3.56Å; I228-H231 PolarHBondContact O-N 3.4Å; I228-H231 VanDerWaalsContact O-N 3.07Å; E229-H231 VanDerWaalsContact C-N 3.31Å; E229-H231 PolarHBondContact O-N 3.4Å; H231-G233 PolarHBondContact O-N 2.94Å; H231-G233 VanDerWaalsContact O-N 3.17Å; H231-L234 WeakPolarHBondContact O-CB 3.4Å; H231-L234 PolarHBondContact O-N 3.25Å; H231-I235 HydrophobicContact CB-CD1 4.33Å; H231-I235 WeakPolarHBondContact O-CG1 3.49Å; H231-I235 PolarHBondContact O-N 3.23Å
232E91.8Very high94Very high136 Ų13679.6 Ų79.664%0.63645%0.445SS*.Hα-helixtrans-56.4-39.5-173.868.5175.6-17500112.1I228 E229 L234 I235 G236I228-E232 WeakPolarHBondContact O-CA 3.41Å; I228-E232 WeakPolarHBondContact O-CB 3.45Å; I228-E232 PolarHBondContact O-N 3.3Å; E229-E232 WeakPolarHBondContact O-CG 3.33Å; E232-L234 PolarHBondContact O-N 3.43Å; E232-I235 PolarHBondContact O-N 2.74Å; E232-G236 PolarHBondContact O-N 2.95Å
233G94.1Very high94.1Very high48 Ų4879.4 Ų79.450%0.49544%0.436SS..Hα-helixtrans-66.6-37.6178.900000112.5H231 T237H231-G233 PolarHBondContact O-N 2.94Å; H231-G233 VanDerWaalsContact O-N 3.17Å; G233-T237 VanDerWaalsContact O-CB 3.31Å; G233-T237 WeakPolarHBondContact O-CB 3.46Å; G233-T237 PolarHBondContact O-N 2.87Å; G233-T237 PolarHBondContact O-OG1 3.01Å
234L95.3Very high94.2Very high111 Ų11181 Ų8158%0.58145%0.452SS*.Hα-helixtrans-68.3-46.9175.5-179.367.5000110.5H231 E232 G236 T237 V238H231-L234 WeakPolarHBondContact O-CB 3.4Å; H231-L234 PolarHBondContact O-N 3.25Å; E232-L234 PolarHBondContact O-N 3.43Å; L234-G236 PolarHBondContact O-N 2.97Å; L234-T237 PolarHBondContact O-N 3.17Å; L234-V238 HydrophobicContact CD1-CG2 4.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.47Å; L234-V238 PolarHBondContact O-N 3.49Å
235I93.2Very high94.3Very high79 Ų7982.8 Ų82.841%0.40547%0.465SS..Hα-helixtrans-59.2-48.5179.2-64.2165.6000110.1W227 H231 E232 T237 V238 G239W227-I235 HydrophobicContact CZ3-CD1 4.04Å; H231-I235 HydrophobicContact CB-CD1 4.33Å; H231-I235 WeakPolarHBondContact O-CG1 3.49Å; H231-I235 PolarHBondContact O-N 3.23Å; E232-I235 PolarHBondContact O-N 2.74Å; I235-T237 VanDerWaalsContact C-N 3.34Å; I235-T237 PolarHBondContact O-N 2.9Å; I235-V238 PolarHBondContact O-N 3.26Å; I235-G239 PolarHBondContact O-N 2.78Å
236G93.9Very high94.4Very high42 Ų4282.4 Ų82.443%0.43346%0.459SS..Hα-helixtrans-60.2-43176.200000112.5E232 L234 G239 V240E232-G236 PolarHBondContact O-N 2.95Å; L234-G236 PolarHBondContact O-N 2.97Å; G236-G239 PolarHBondContact O-N 3.44Å; G236-V240 WeakPolarHBondContact O-CG2 3.47Å; G236-V240 PolarHBondContact O-N 3.23Å
237T95.1Very high94.6Very high85 Ų8579.3 Ų79.352%0.52145%0.452SS..Hα-helixtrans-62.5-45.8177.4-59.80000111.6G233 L234 I235 G239 V240 V241G233-T237 VanDerWaalsContact O-CB 3.31Å; G233-T237 WeakPolarHBondContact O-CB 3.46Å; G233-T237 PolarHBondContact O-N 2.87Å; G233-T237 PolarHBondContact O-OG1 3.01Å; L234-T237 PolarHBondContact O-N 3.17Å; I235-T237 VanDerWaalsContact C-N 3.34Å; I235-T237 PolarHBondContact O-N 2.9Å; T237-G239 VanDerWaalsContact C-N 3.33Å; T237-G239 PolarHBondContact O-N 3.28Å; T237-V240 PolarHBondContact O-N 2.67Å; T237-V241 HydrophobicContact CG2-CG2 4.45Å; T237-V241 VanDerWaalsContact O-CG2 3.31Å; T237-V241 WeakPolarHBondContact O-CG2 3.24Å; T237-V241 PolarHBondContact O-N 3.39Å
238V95.6Very high94.7Very high81 Ų8177.4 Ų77.449%0.49145%0.451SS..Hα-helixtrans-59.7-45176.9171.30000110.5L234 I235 V240 V241 V242L234-V238 HydrophobicContact CD1-CG2 4.47Å; L234-V238 WeakPolarHBondContact O-CG2 3.47Å; L234-V238 PolarHBondContact O-N 3.49Å; I235-V238 PolarHBondContact O-N 3.26Å; V238-V240 PolarHBondContact O-N 2.53Å; V238-V241 PolarHBondContact O-N 2.65Å; V238-V242 HydrophobicContact CG1-CG2 4.37Å; V238-V242 VanDerWaalsContact O-CG2 3.32Å; V238-V242 WeakPolarHBondContact O-CG2 3.33Å; V238-V242 PolarHBondContact O-N 3.33Å
239G95.1Very high94.8Very high36 Ų3674.8 Ų74.837%0.37144%0.44SS..Hα-helixtrans-58.7-46.2176.900000113.2I235 G236 T237 V241 V242 V243I235-G239 PolarHBondContact O-N 2.78Å; G236-G239 PolarHBondContact O-N 3.44Å; T237-G239 VanDerWaalsContact C-N 3.33Å; T237-G239 PolarHBondContact O-N 3.28Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 3.15Å; G239-V242 PolarHBondContact O-N 3.16Å; G239-V243 WeakPolarHBondContact O-CG2 3.49Å; G239-V243 PolarHBondContact O-N 3.09Å; G239-V243 VanDerWaalsContact O-N 3.09Å
240V96.1Very high95Very high108 Ų10869.6 Ų69.666%0.65542%0.418SS*.Hα-helixtrans-62.9-40.7176.9172.30000111.6G236 T237 V238 G244G236-V240 WeakPolarHBondContact O-CG2 3.47Å; G236-V240 PolarHBondContact O-N 3.23Å; T237-V240 PolarHBondContact O-N 2.67Å; V238-V240 PolarHBondContact O-N 2.53Å; V240-G244 PolarHBondContact O-N 2.81Å
241V96.3Very high95Very high86 Ų8666.7 Ų66.752%0.52141%0.407SS..Hα-helixtrans-64-43.7177.1170.20000111T237 V238 G239 G244 V245T237-V241 HydrophobicContact CG2-CG2 4.45Å; T237-V241 VanDerWaalsContact O-CG2 3.31Å; T237-V241 WeakPolarHBondContact O-CG2 3.24Å; T237-V241 PolarHBondContact O-N 3.39Å; V238-V241 PolarHBondContact O-N 2.65Å; G239-V241 VanDerWaalsContact C-N 3.34Å; G239-V241 PolarHBondContact O-N 3.15Å; V241-G244 PolarHBondContact O-N 3.01Å; V241-V245 HydrophobicContact CG1-CG2 4.31Å; V241-V245 VanDerWaalsContact O-CG2 3.31Å; V241-V245 WeakPolarHBondContact O-CG2 3.45Å; V241-V245 PolarHBondContact O-N 3Å
242V95.1Very high95Very high60 Ų6064.5 Ų64.536%0.36440%0.397SS..Hα-helixtrans-59-52.1178.1170.10000110.7V238 G239 G244 V245 Q246V238-V242 HydrophobicContact CG1-CG2 4.37Å; V238-V242 VanDerWaalsContact O-CG2 3.32Å; V238-V242 WeakPolarHBondContact O-CG2 3.33Å; V238-V242 PolarHBondContact O-N 3.33Å; G239-V242 PolarHBondContact O-N 3.16Å; V242-G244 VanDerWaalsContact C-N 3.31Å; V242-G244 PolarHBondContact O-N 3.4Å; V242-V245 PolarHBondContact O-N 3.23Å; V242-Q246 WeakPolarHBondContact O-CG 3.47Å; V242-Q246 PolarHBondContact O-N 3.05Å
243V96.6Very high95.1Very high35 Ų3558 Ų5821%0.21237%0.367CS..Hα-helixtrans-60-42.7177.2173.40000111I102 E105 G239 V245 Q246 I247I102-V243 HydrophobicContact CG2-CG1 4.38Å; E105-V243 WeakPolarHBondContact OE2-CG2 3.49Å; G239-V243 WeakPolarHBondContact O-CG2 3.49Å; G239-V243 PolarHBondContact O-N 3.09Å; G239-V243 VanDerWaalsContact O-N 3.09Å; V243-V245 PolarHBondContact O-N 2.87Å; V243-Q246 PolarHBondContact O-N 3.32Å; V243-I247 HydrophobicContact CG1-CD1 3.75Å; V243-I247 HydrophobicContact CG1-CG1 4.33Å; V243-I247 VanDerWaalsContact O-CG1 3.3Å; V243-I247 WeakPolarHBondContact O-CG1 3.44Å; V243-I247 PolarHBondContact O-N 2.85Å
244G96.1Very high95Very high37 Ų3758.1 Ų58.138%0.38136%0.358SS..Hα-helixtrans-61-43177.900000113.2V240 V241 V242 I247 L248V240-G244 PolarHBondContact O-N 2.81Å; V241-G244 PolarHBondContact O-N 3.01Å; V242-G244 VanDerWaalsContact C-N 3.31Å; V242-G244 PolarHBondContact O-N 3.4Å; G244-I247 PolarHBondContact O-N 3.29Å; G244-L248 WeakPolarHBondContact O-CB 2.99Å; G244-L248 PolarHBondContact O-N 3.46Å
245V94.3Very high94.8Very high69 Ų6959.9 Ų59.942%0.41836%0.357SS..Hα-helixtrans-64.4-41.6175.8169.70000111V241 V242 V243 L248 A249V241-V245 HydrophobicContact CG1-CG2 4.31Å; V241-V245 VanDerWaalsContact O-CG2 3.31Å; V241-V245 WeakPolarHBondContact O-CG2 3.45Å; V241-V245 PolarHBondContact O-N 3Å; V242-V245 PolarHBondContact O-N 3.23Å; V243-V245 PolarHBondContact O-N 2.87Å; V245-L248 PolarHBondContact O-N 3.18Å; V245-A249 WeakPolarHBondContact O-CB 3.36Å; V245-A249 PolarHBondContact O-N 3.4Å
246Q95.9Very high94.7Very high31 Ų3156.3 Ų56.315%0.14534%0.339CS..Hα-helixtrans-64.6-44.6176.7-69.6178.31400112.1V98 I102 E105 V242 V243 L248 A249 V250V98-Q246 HydrophobicContact CG1-CB 3.8Å; V98-Q246 HydrophobicContact CG1-CG 4.2Å; I102-Q246 HydrophobicContact CD1-CB 3.87Å; I102-Q246 HydrophobicContact CG1-CB 3.73Å; E105-Q246 PolarHBondContact OE1-NE2 3.01Å; E105-Q246 PolarHBondContact OE2-NE2 3.35Å; E105-Q246 PolarHBondContact OE2-OE1 3.49Å; V242-Q246 WeakPolarHBondContact O-CG 3.47Å; V242-Q246 PolarHBondContact O-N 3.05Å; V243-Q246 PolarHBondContact O-N 3.32Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 3.3Å; Q246-A249 WeakPolarHBondContact O-CB 3.34Å; Q246-A249 PolarHBondContact O-N 3.14Å; Q246-V250 WeakPolarHBondContact O-CG2 3.46Å; Q246-V250 PolarHBondContact O-N 3.4Å
247I96.4Very high94.5Very high78 Ų7856.3 Ų56.340%0.433%0.328SS..Hα-helixtrans-59.4-47.3175-69.5168.9000110.1I102 V243 G244 A249 V250 L251I102-I247 HydrophobicContact CD1-CG1 3.91Å; V243-I247 HydrophobicContact CG1-CD1 3.75Å; V243-I247 HydrophobicContact CG1-CG1 4.33Å; V243-I247 VanDerWaalsContact O-CG1 3.3Å; V243-I247 WeakPolarHBondContact O-CG1 3.44Å; V243-I247 PolarHBondContact O-N 2.85Å; G244-I247 PolarHBondContact O-N 3.29Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 3.38Å; I247-V250 PolarHBondContact O-N 3.38Å; I247-L251 HydrophobicContact CG2-CD1 4.02Å; I247-L251 HydrophobicContact CG2-CG 4.31Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.08Å
248L94.6Very high94.3Very high84 Ų8457.1 Ų57.144%0.4433%0.326SS..Hα-helixtrans-59.3-44.3177-179.263.2000111.2F20 G244 V245 Q246 V250 L251 V252F20-L248 HydrophobicContact CE1-CD2 4.28Å; G244-L248 WeakPolarHBondContact O-CB 2.99Å; G244-L248 PolarHBondContact O-N 3.46Å; V245-L248 PolarHBondContact O-N 3.18Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 3.3Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.8Å; L248-L251 PolarHBondContact O-N 2.63Å; L248-V252 HydrophobicContact CD1-CG2 4.15Å; L248-V252 HydrophobicContact CG-CG2 4.4Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 2.91Å
249A94.3Very high93.9Very high21 Ų2153.6 Ų53.617%0.17431%0.305CS..Hα-helixtrans-59.4-42.4177.500000112.1L21 F94 V245 Q246 I247 V252 A253L21-A249 HydrophobicContact CD1-CB 4.37Å; F94-A249 HydrophobicContact CE1-CB 4.48Å; F94-A249 HydrophobicContact CZ-CB 4.37Å; V245-A249 WeakPolarHBondContact O-CB 3.36Å; V245-A249 PolarHBondContact O-N 3.4Å; Q246-A249 WeakPolarHBondContact O-CB 3.34Å; Q246-A249 PolarHBondContact O-N 3.14Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 3.38Å; A249-V252 PolarHBondContact O-N 3.39Å; A249-A253 VanDerWaalsContact O-CB 3.23Å; A249-A253 WeakPolarHBondContact O-CB 3.02Å; A249-A253 PolarHBondContact O-N 2.97Å
250V96.1Very high93.5Very high24 Ų2452.1 Ų52.115%0.14529%0.288CS..Hα-helixtrans-66.3-42.8175.4173.70000111.4V98 Q246 I247 L248 V252 A253 T254V98-V250 HydrophobicContact CB-CG2 3.86Å; V98-V250 HydrophobicContact CG1-CG2 3.54Å; Q246-V250 WeakPolarHBondContact O-CG2 3.46Å; Q246-V250 PolarHBondContact O-N 3.4Å; I247-V250 PolarHBondContact O-N 3.38Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.8Å; V250-V252 VanDerWaalsContact C-N 3.34Å; V250-V252 PolarHBondContact O-N 2.74Å; V250-A253 PolarHBondContact O-N 3.18Å; V250-T254 HydrophobicContact CG1-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CB 3Å; V250-T254 VanDerWaalsContact O-CG2 3.28Å; V250-T254 WeakPolarHBondContact O-CG2 3.18Å; V250-T254 PolarHBondContact O-N 2.91Å; V250-T254 PolarHBondContact O-OG1 2.97Å
251L94.4Very high93Very high94 Ų9452.5 Ų52.549%0.49228%0.282SS..Hα-helixtrans-61.1-44.8176.8-71.3176.3000111.2I247 L248 T254 R255I247-L251 HydrophobicContact CG2-CD1 4.02Å; I247-L251 HydrophobicContact CG2-CG 4.31Å; I247-L251 WeakPolarHBondContact O-CG 3.24Å; I247-L251 PolarHBondContact O-N 3.08Å; L248-L251 PolarHBondContact O-N 2.63Å; L251-T254 WeakPolarHBondContact CA-OG1 3.35Å; L251-T254 PolarHBondContact O-OG1 3.17Å; L251-R255 VanDerWaalsContact O-CG 3.23Å; L251-R255 WeakPolarHBondContact O-CG 3.39Å; L251-R255 PolarHBondContact O-N 3.31Å; L251-R255 VanDerWaalsContact O-N 3.08Å
252V94Very high92.4Very high10 Ų1052.7 Ų52.76%0.06127%0.274CS..Hα-helixtrans-65.9-43.5177.51770000111.2L17 L21 L248 A249 V250 R255 L256L17-V252 HydrophobicContact CB-CG1 4.02Å; L17-V252 HydrophobicContact CD2-CG1 4.31Å; L17-V252 HydrophobicContact CD2-CG2 4.01Å; L21-V252 HydrophobicContact CB-CG1 3.85Å; L21-V252 HydrophobicContact CD1-CG1 4.42Å; L21-V252 HydrophobicContact CD2-CG1 4.24Å; L21-V252 HydrophobicContact CG-CG1 4.39Å; L248-V252 HydrophobicContact CD1-CG2 4.15Å; L248-V252 HydrophobicContact CG-CG2 4.4Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 2.91Å; A249-V252 PolarHBondContact O-N 3.39Å; V250-V252 VanDerWaalsContact C-N 3.34Å; V250-V252 PolarHBondContact O-N 2.74Å; V252-R255 PolarHBondContact O-N 3.42Å; V252-L256 WeakPolarHBondContact O-CB 3.47Å; V252-L256 PolarHBondContact O-N 3.3Å
253A93.9Very high91.6Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-63.4-41.8178.100000112.6L21 L91 F94 S95 A249 V250 L256 L257L21-A253 HydrophobicContact CD2-CB 4.18Å; L91-A253 HydrophobicContact CD1-CB 3.75Å; L91-A253 VanDerWaalsContact CD2-O 3.31Å; L91-A253 WeakPolarHBondContact CD2-O 3.41Å; L91-A253 HydrophobicContact CG-CB 4.12Å; F94-A253 HydrophobicContact CD1-CB 4.12Å; F94-A253 HydrophobicContact CE1-CB 4.21Å; S95-A253 WeakPolarHBondContact OG-CB 3.25Å; A249-A253 VanDerWaalsContact O-CB 3.23Å; A249-A253 WeakPolarHBondContact O-CB 3.02Å; A249-A253 PolarHBondContact O-N 2.97Å; V250-A253 PolarHBondContact O-N 3.18Å; A253-L256 PolarHBondContact O-N 2.79Å; A253-L257 WeakPolarHBondContact O-CB 3.36Å; A253-L257 PolarHBondContact O-N 2.78Å
254T92.3Very high90.8Very high49 Ų4956.7 Ų56.730%0.30128%0.284SS..Hα-helixtrans-67.7-41.7178.350.70000111.8V250 L251 L256 L257 E258V250-T254 HydrophobicContact CG1-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CB 3Å; V250-T254 VanDerWaalsContact O-CG2 3.28Å; V250-T254 WeakPolarHBondContact O-CG2 3.18Å; V250-T254 PolarHBondContact O-N 2.91Å; V250-T254 PolarHBondContact O-OG1 2.97Å; L251-T254 WeakPolarHBondContact CA-OG1 3.35Å; L251-T254 PolarHBondContact O-OG1 3.17Å; T254-L256 PolarHBondContact O-N 3.09Å; T254-L257 WeakPolarHBondContact O-CB 3.45Å; T254-L257 PolarHBondContact O-N 3.23Å; T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 3.08Å
255R91.6Very high89.9Confident148 Ų14859.1 Ų59.156%0.55829%0.292SS*.Hα-helixtrans-61.4-42.9173.3-68-62.4-177.488.92.8112.3L251 V252 L257 E258 N259L251-R255 VanDerWaalsContact O-CG 3.23Å; L251-R255 WeakPolarHBondContact O-CG 3.39Å; L251-R255 PolarHBondContact O-N 3.31Å; L251-R255 VanDerWaalsContact O-N 3.08Å; V252-R255 PolarHBondContact O-N 3.42Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.17Å; R255-E258 PolarHBondContact O-N 3.47Å; R255-N259 PolarHBondContact O-N 2.88Å; R255-N259 PolarHBondContact O-ND2 3Å
256L90.4Very high88.6Confident5 Ų559.6 Ų59.63%0.02629%0.289CS..Hα-helixtrans-63.3-39.5175.1-178.262.1000111.3K18 L21 A83 L91 V252 A253 T254 N259 I260K18-L256 HydrophobicContact CB-CD1 4.3Å; K18-L256 HydrophobicContact CG-CD1 4.47Å; K18-L256 HydrophobicContact CG-CD2 4.39Å; L21-L256 HydrophobicContact CD2-CD2 4.42Å; A83-L256 HydrophobicContact CB-CD2 4.16Å; L91-L256 HydrophobicContact CD2-CB 3.98Å; L91-L256 HydrophobicContact CD2-CD2 3.91Å; L91-L256 HydrophobicContact CD2-CG 3.88Å; V252-L256 WeakPolarHBondContact O-CB 3.47Å; V252-L256 PolarHBondContact O-N 3.3Å; A253-L256 PolarHBondContact O-N 2.79Å; T254-L256 PolarHBondContact O-N 3.09Å; L256-N259 PolarHBondContact O-N 2.98Å; L256-I260 HydrophobicContact CD1-CD1 4.31Å; L256-I260 HydrophobicContact CG-CD1 3.99Å; L256-I260 WeakPolarHBondContact O-CD1 3.19Å; L256-I260 VanDerWaalsContact O-CG1 3.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.37Å; L256-I260 PolarHBondContact O-N 2.96Å
257L91.5Very high86.8Confident42 Ų4263.7 Ų63.722%0.2233%0.328CS..Hα-helixtrans-64.1-43.8176.5-170.1142.2000112.3L91 K92 A253 T254 R255 I260 H261L91-L257 HydrophobicContact CD2-CB 3.99Å; K92-L257 HydrophobicContact CB-CD1 3.86Å; K92-L257 HydrophobicContact CG-CD1 4.18Å; A253-L257 WeakPolarHBondContact O-CB 3.36Å; A253-L257 PolarHBondContact O-N 2.78Å; T254-L257 WeakPolarHBondContact O-CB 3.45Å; T254-L257 PolarHBondContact O-N 3.23Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.17Å; L257-I260 PolarHBondContact O-N 3.29Å; L257-H261 WeakPolarHBondContact O-CB 3.18Å; L257-H261 PolarHBondContact O-N 3.19Å
258E89.6Confident86.3Confident101 Ų10163 Ų6347%0.47232%0.324SS..Hα-helixtrans-59.9-44.9174.6-75.1176.6-179.900111.6T254 R255 H261 R262T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 3.08Å; R255-E258 PolarHBondContact O-N 3.47Å; E258-H261 PolarHBondContact O-N 2.92Å; E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 2.91Å
259N86.9Confident85.9Confident8 Ų861.8 Ų61.84%0.04332%0.318CS..Hα-helixtrans-60.9-49.3176.9-76.1-21000111.6Y10 D14 R255 L256 H261 R262 H263Y10-N259 HydrophobicContact CE1-CB 4.48Å; D14-N259 PolarHBondContact OD1-ND2 3.33Å; R255-N259 PolarHBondContact O-N 2.88Å; R255-N259 PolarHBondContact O-ND2 3Å; L256-N259 PolarHBondContact O-N 2.98Å; N259-H261 VanDerWaalsContact C-N 3.25Å; N259-H261 PolarHBondContact O-N 3.43Å; N259-R262 PolarHBondContact O-N 3.28Å; N259-R262 PolarHBondContact OD1-NH2 3.05Å; N259-H263 PolarHBondContact O-CD2 3.47Å; N259-H263 PolarHBondContact O-N 2.82Å
260I86.3Confident85.4Confident4 Ų464.1 Ų64.12%0.02133%0.326CS..Hα-helixtrans-58.2-40.8177.1-66.3161.9000110.7E86 S88 L91 L256 L257 H263 K264E86-I260 HydrophobicContact CB-CD1 3.77Å; E86-I260 HydrophobicContact CB-CG1 4.03Å; E86-I260 HydrophobicContact CG-CD1 4.18Å; E86-I260 HydrophobicContact CG-CG1 4.32Å; S88-I260 WeakPolarHBondContact OG-CG2 3.4Å; L91-I260 HydrophobicContact CD2-CD1 4.33Å; L256-I260 HydrophobicContact CD1-CD1 4.31Å; L256-I260 HydrophobicContact CG-CD1 3.99Å; L256-I260 WeakPolarHBondContact O-CD1 3.19Å; L256-I260 VanDerWaalsContact O-CG1 3.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.37Å; L256-I260 PolarHBondContact O-N 2.96Å; L257-I260 PolarHBondContact O-N 3.29Å; I260-H263 PolarHBondContact O-N 3.42Å; I260-K264 HydrophobicContact CG2-CD 4.38Å; I260-K264 WeakPolarHBondContact O-CG 3.45Å; I260-K264 PolarHBondContact O-N 3.1Å
261H86.1Confident84.8Confident116 Ų11666.5 Ų66.554%0.53734%0.337SS..Hα-helixtrans-65.8-45.3178.4-168.164.4000111.9L257 E258 N259 H263 K264 V265L257-H261 WeakPolarHBondContact O-CB 3.18Å; L257-H261 PolarHBondContact O-N 3.19Å; E258-H261 PolarHBondContact O-N 2.92Å; N259-H261 VanDerWaalsContact C-N 3.25Å; N259-H261 PolarHBondContact O-N 3.43Å; H261-H263 VanDerWaalsContact C-N 3.32Å; H261-H263 PolarHBondContact O-N 2.03Å; H261-K264 PolarHBondContact O-N 3.07Å; H261-V265 WeakPolarHBondContact O-CG2 2.91Å; H261-V265 PolarHBondContact O-N 2.88Å
262R83.2Confident84.2Confident91 Ų9164.8 Ų64.834%0.34333%0.327SS..Hα-helixtrans-59.4-42.5175.7-73.9-163.3-65.1-152.91112.1Y8 E258 N259 V265 H266Y8-R262 PolarHBondContact OH-NH2 2.92Å; Y8-R262 VanDerWaalsContact OH-NH2 3.08Å; E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 2.91Å; N259-R262 PolarHBondContact O-N 3.28Å; N259-R262 PolarHBondContact OD1-NH2 3.05Å; R262-V265 PolarHBondContact O-N 3.49Å; R262-H266 WeakPolarHBondContact O-CB 3.41Å; R262-H266 PolarHBondContact O-CD2 3.14Å; R262-H266 PolarHBondContact O-N 3.4Å
263H79.3Confident83.5Confident48 Ų4868.4 Ų68.422%0.22235%0.345CS..Hα-helixtrans-62.1-42.9175.6-82.7-79.4000112.2Y8 Y10 N259 I260 H261 V265 H266 A267Y8-H263 PolarHBondContact O-CE1 3.15Å; Y10-H263 AromaticContact CD2-CE1 3.65Å; Y10-H263 AromaticContact CD2-NE2 3.36Å; Y10-H263 WeakPolarHBondContact CD2-NE2 3.13Å; Y10-H263 AromaticContact CE2-CD2 3.49Å; Y10-H263 VanDerWaalsContact CE2-CD2 3.49Å; Y10-H263 WeakPolarHBondContact CE2-CD2 3.22Å; Y10-H263 AromaticContact CE2-CE1 3.68Å; Y10-H263 AromaticContact CE2-NE2 3.27Å; Y10-H263 VanDerWaalsContact CE2-NE2 3.27Å; Y10-H263 WeakPolarHBondContact CE2-NE2 3.34Å; Y10-H263 AromaticContact CG-NE2 3.94Å; Y10-H263 AromaticContact CZ-CD2 3.7Å; Y10-H263 AromaticContact CZ-NE2 3.79Å; N259-H263 PolarHBondContact O-CD2 3.47Å; N259-H263 PolarHBondContact O-N 2.82Å; I260-H263 PolarHBondContact O-N 3.42Å; H261-H263 VanDerWaalsContact C-N 3.32Å; H261-H263 PolarHBondContact O-N 2.03Å; H263-V265 VanDerWaalsContact C-N 3.34Å; H263-V265 PolarHBondContact O-N 3.16Å; H263-H266 PolarHBondContact O-N 2.95Å; H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.42Å; H263-A267 PolarHBondContact O-N 3.32Å
264K79.3Confident82.8Confident130 Ų13073.3 Ų73.357%0.56537%0.369SS*.Hα-helixtrans-65.6-33.2176.3-75.6179.3-178172.50113.7S88 I260 H261S88-K264 PolarHBondContact OG-NZ 2.92Å; I260-K264 HydrophobicContact CG2-CD 4.38Å; I260-K264 WeakPolarHBondContact O-CG 3.45Å; I260-K264 PolarHBondContact O-N 3.1Å; H261-K264 PolarHBondContact O-N 3.07Å
265V77.6Confident82.1Confident89 Ų8975.2 Ų75.254%0.53938%0.375SS..Hα-helixtrans-76-28.5178.7171.60000112H261 R262 H263H261-V265 WeakPolarHBondContact O-CG2 2.91Å; H261-V265 PolarHBondContact O-N 2.88Å; R262-V265 PolarHBondContact O-N 3.49Å; H263-V265 VanDerWaalsContact C-N 3.34Å; H263-V265 PolarHBondContact O-N 3.16Å
266H66.8Low81.3Confident79 Ų7969.1 Ų69.137%0.36636%0.359SS..Hα-helixtrans-101.3-16.3-175.4-66.9-50.8000115.4R5 R262 H263R5-H266 PolarHBondContact NH1-O 2.88Å; R5-H266 VanDerWaalsContact NH1-O 3.07Å; R262-H266 WeakPolarHBondContact O-CB 3.41Å; R262-H266 PolarHBondContact O-CD2 3.14Å; R262-H266 PolarHBondContact O-N 3.4Å; H263-H266 PolarHBondContact O-N 2.95Å
267A58.3Low80.5Confident116 Ų11674.9 Ų74.996%0.95939%0.39SS*.  trans-65.20166.300000111.1R5 H263R5-A267 VanDerWaalsContact NH1-C 3.29Å; R5-A267 PolarHBondContact NH1-O 3.09Å; H263-A267 VanDerWaalsContact O-CB 3.31Å; H263-A267 WeakPolarHBondContact O-CB 3.42Å; H263-A267 PolarHBondContact O-N 3.32Å

Retrieved 267 of 267 residues in 158.1 ms (Link to these results)

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