A0A5K4EJP5_SCHMA Loading...

G protein-coupled receptor

AlphaFold DB , UniProt , Accession A0A5K4EJP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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
1M37.9Very low45.8Very low214 Ų214148.7 Ų148.7100%1.05474%0.739SS**  096.70-70.9179.7-173.900108
2V35.2Very low46Very low125 Ų125144.8 Ų144.876%0.75874%0.737SS**  trans-90.5111.3-179.4177.30000107.9L4V2-L4 VanDerWaalsContact C-N 3.27Å; V2-L4 HydrophobicContact CG1-CB 4.29Å; V2-L4 HydrophobicContact CG1-CD1 3.45Å; V2-L4 VanDerWaalsContact CG1-CD1 3.45Å; V2-L4 HydrophobicContact CG1-CG 3.62Å; V2-L4 PolarHBondContact O-N 2.86Å; V2-L4 VanDerWaalsContact O-N 3.08Å
3W41.8Very low46.1Very low109 Ų109138.8 Ų138.841%0.41371%0.713SS.*  trans-81.967.4178.8-70.693.7000110.6I5 R26 P105W3-I5 PolarHBondContact O-N 3.5Å; W3-R26 VanDerWaalsContact CH2-NE 3.33Å; W3-P105 HydrophobicContact CH2-CB 3.62Å; W3-P105 HydrophobicContact CH2-CG 3.45Å; W3-P105 VanDerWaalsContact CH2-CG 3.45Å; W3-P105 HydrophobicContact CZ2-CG 4.16Å; W3-P105 HydrophobicContact CZ3-CB 3.82Å; W3-P105 HydrophobicContact CZ3-CG 4.02Å
4L39.8Very low46.9Very low152 Ų152140.3 Ų140.380%0.79672%0.721SS**  trans-95.593.9173.7-79.1164.3000109.6V2 R6V2-L4 VanDerWaalsContact C-N 3.27Å; V2-L4 HydrophobicContact CG1-CB 4.29Å; V2-L4 HydrophobicContact CG1-CD1 3.45Å; V2-L4 VanDerWaalsContact CG1-CD1 3.45Å; V2-L4 HydrophobicContact CG1-CG 3.62Å; V2-L4 PolarHBondContact O-N 2.86Å; V2-L4 VanDerWaalsContact O-N 3.08Å; L4-R6 PolarHBondContact O-N 2.88Å
5I47.9Very low46.5Very low98 Ų98140.8 Ų140.850%0.50372%0.716SS.*  trans-78.3117.1161.6-64.1174.1000106.7W3 R7W3-I5 PolarHBondContact O-N 3.5Å; I5-R7 PolarHBondContact O-N 2.89Å
6R46.1Very low46.4Very low247 Ų247139.7 Ų139.793%0.93272%0.721SS**  trans-53.8109.3172-147179.2-163.7-177.74.2108.1L4 K8L4-R6 PolarHBondContact O-N 2.88Å; R6-K8 PolarHBondContact O-N 3.44Å
7R48.8Very low46.5Very low163 Ų163140.3 Ų140.362%0.61573%0.725SS**  trans-58.3135.2176.4-84-173.8-176.6179.83108.6I5I5-R7 PolarHBondContact O-N 2.89Å
8K50.1Low46.2Very low186 Ų186141.6 Ų141.681%0.80972%0.719SS**  trans-81.6115.2167.2-164.1178-176.5-178.20106.4R6 G10R6-K8 PolarHBondContact O-N 3.44Å; K8-G10 PolarHBondContact O-N 3.01Å
9D51.6Low45.9Very low165 Ų165138.2 Ų138.288%0.88272%0.723SS**THydrogen-bonded Turntrans-67.310.7-170.8-61-41.5000115.5
10G52.6Low45.8Very low69 Ų69137 Ų13771%0.71173%0.726SS**THydrogen-bonded Turntrans-116.112.5-170.700000116.3K8K8-G10 PolarHBondContact O-N 3.01Å
11V52.1Low45.4Very low108 Ų108138.4 Ų138.466%0.65573%0.726SS**  trans-119.9105.5-178.8-169.50000110.4
12S48Very low45.8Very low102 Ų102133.2 Ų133.271%0.71371%0.71SS**  trans-74122.7168.9490000109.8
13P47.8Very low46.6Very low66 Ų66130.9 Ų130.943%0.42969%0.692SS.*  trans-68.3142.9172.527.7-32.3000110.5F15 R18P13-F15 PolarHBondContact O-N 3.5Å; P13-R18 HydrophobicContact CG-CG 4.18Å
14I56.5Low47.7Very low160 Ų160128.6 Ų128.682%0.82169%0.688SS**SBendtrans-65.3-15.8-179.1-66.7167.1000112.3
15F40.9Very low49.3Very low148 Ų148128.7 Ų128.765%0.64969%0.69SS**SBendtrans-127.5139.4-179.3-82.2-85.8000113P13 L17P13-F15 PolarHBondContact O-N 3.5Å; F15-L17 PolarHBondContact O-N 3.36Å; F15-L17 VanDerWaalsContact O-N 3.07Å
16P45.7Very low50.4Low123 Ų123126.3 Ų126.380%0.79967%0.674SS**  trans-82.632.9-175.536-36.8000113.8R18P16-R18 PolarHBondContact O-N 2.95Å; P16-R18 VanDerWaalsContact O-N 3.11Å
17L46.8Very low51.9Low150 Ų150118.4 Ų118.479%0.78565%0.65SS**  trans-83.228.2176.9-68.7169.9000112.9F15 G19F15-L17 PolarHBondContact O-N 3.36Å; F15-L17 VanDerWaalsContact O-N 3.07Å; L17-G19 PolarHBondContact O-N 3.25Å
18R42.6Very low53.4Low163 Ų163112 Ų11262%0.61563%0.634SS**THydrogen-bonded Turntrans-71.3-5.8-173.3-99.5-174.8170.3-177.60.2115.1P13 P16P13-R18 HydrophobicContact CG-CG 4.18Å; P16-R18 PolarHBondContact O-N 2.95Å; P16-R18 VanDerWaalsContact O-N 3.11Å
19G40.6Very low55Low78 Ų78104.6 Ų104.680%0.80461%0.606SS**THydrogen-bonded Turntrans-99.4-19.8-167.100000117.9L17L17-G19 PolarHBondContact O-N 3.25Å
20C43.5Very low56.6Low114 Ų11499.4 Ų99.477%0.7758%0.576SS**THydrogen-bonded Turntrans-123.6-15.2-168.8-106.80000116.2
21F37.2Very low58.4Low166 Ų16699.7 Ų99.773%0.72856%0.56SS**  trans-142.791.9179.4-74.2-82.6000110.8L23F21-L23 HydrophobicContact CD1-CD1 4.1Å; F21-L23 HydrophobicContact CD1-CG 4.45Å; F21-L23 PolarHBondContact O-N 3.32Å
22C46.3Very low60.2Low106 Ų10696.9 Ų96.972%0.71655%0.545SS*.  trans-73.747.4164.8-72.30000111.2D24C22-D24 PolarHBondContact O-N 3.03Å
23L51.9Low62.2Low75 Ų7592 Ų9239%0.39351%0.511SS..  trans-76.6112.1167.1-71.5171.3000106.8F21 N25 L27 I31F21-L23 HydrophobicContact CD1-CD1 4.1Å; F21-L23 HydrophobicContact CD1-CG 4.45Å; F21-L23 PolarHBondContact O-N 3.32Å; L23-N25 PolarHBondContact O-N 3.35Å; L23-L27 HydrophobicContact CD2-CD2 3.4Å; L23-L27 HydrophobicContact CD2-CG 3.81Å; L23-I31 HydrophobicContact CD2-CD1 3.88Å
24D65.7Low64.3Low61 Ų6191.7 Ų91.733%0.32651%0.505SS..  trans-52.7140.1167.6-80.2-35.4000109.1C22 R26 L27 G28C22-D24 PolarHBondContact O-N 3.03Å; D24-R26 CarbonylContact O-C 3.55Å; D24-R26 PolarHBondContact O-N 3.43Å; D24-L27 HydrophobicContact CB-CB 4.37Å; D24-L27 CarbonylContact O-C 3.59Å; D24-L27 WeakPolarHBondContact O-CA 3.43Å; D24-L27 WeakPolarHBondContact O-CB 3.47Å; D24-L27 PolarHBondContact O-N 3.39Å; D24-G28 PolarHBondContact O-N 3Å
25N72.3Confident66.1Low155 Ų15587.8 Ų87.883%0.82949%0.489SS*.Hα-helixtrans-49.7-31.1179.8-72-10.2000112.5L23 C29L23-N25 PolarHBondContact O-N 3.35Å; N25-C29 VanDerWaalsContact O-CB 3.23Å; N25-C29 WeakPolarHBondContact O-CB 3.4Å; N25-C29 PolarHBondContact O-N 3.25Å
26R70.3Confident68.6Low48 Ų4881.3 Ų81.318%0.18146%0.462CS..Hα-helixtrans-68.2-44.6174.1-172178.3-175141.44.9112.8W3 D24 C29 F30 I102W3-R26 VanDerWaalsContact CH2-NE 3.33Å; D24-R26 CarbonylContact O-C 3.55Å; D24-R26 PolarHBondContact O-N 3.43Å; R26-C29 PolarHBondContact O-N 3.19Å; R26-F30 WeakPolarHBondContact O-CB 3.23Å; R26-F30 PolarHBondContact O-N 3.08Å; R26-I102 HydrophobicContact CG-CG2 4.2Å; R26-I102 PolarHBondContact NH2-O 3.09Å
27L77.8Confident70.9Confident80 Ų8076.2 Ų76.242%0.41943%0.43SS..Hα-helixtrans-68-41.7177-175.862.9000110.8L23 D24 C29 F30 I31L23-L27 HydrophobicContact CD2-CD2 3.4Å; L23-L27 HydrophobicContact CD2-CG 3.81Å; D24-L27 HydrophobicContact CB-CB 4.37Å; D24-L27 CarbonylContact O-C 3.59Å; D24-L27 WeakPolarHBondContact O-CA 3.43Å; D24-L27 WeakPolarHBondContact O-CB 3.47Å; D24-L27 PolarHBondContact O-N 3.39Å; L27-C29 PolarHBondContact O-N 3.48Å; L27-F30 WeakPolarHBondContact O-CB 3.36Å; L27-F30 PolarHBondContact O-N 2.95Å; L27-I31 HydrophobicContact CD1-CD1 4.17Å; L27-I31 HydrophobicContact CD1-CG1 4.37Å; L27-I31 HydrophobicContact CG-CD1 3.91Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.1Å; L27-I31 PolarHBondContact O-N 3.31Å
28G81.7Confident73.2Confident28 Ų2873.7 Ų73.729%0.28942%0.416SS..Hα-helixtrans-59.4-45.6173.500000112.4D24 S32D24-G28 PolarHBondContact O-N 3Å; G28-S32 VanDerWaalsContact O-CB 3.25Å; G28-S32 WeakPolarHBondContact O-CB 3.45Å; G28-S32 PolarHBondContact O-N 3.08Å
29C82.8Confident75.6Confident31 Ų3168.9 Ų68.921%0.20941%0.407CS..Hα-helixtrans-64.2-39.7174.7-178.90000112.4N25 R26 L27 S32 T33 L117N25-C29 VanDerWaalsContact O-CB 3.23Å; N25-C29 WeakPolarHBondContact O-CB 3.4Å; N25-C29 PolarHBondContact O-N 3.25Å; R26-C29 PolarHBondContact O-N 3.19Å; L27-C29 PolarHBondContact O-N 3.48Å; C29-S32 PolarHBondContact O-N 3.07Å; C29-T33 WeakPolarHBondContact O-CB 3.3Å; C29-T33 PolarHBondContact O-N 3.43Å; C29-T33 PolarHBondContact O-OG1 3.38Å; C29-L117 WeakPolarHBondContact SG-CD2 3.26Å
30F86.5Confident78.1Confident57 Ų5765.3 Ų65.325%0.2537%0.37CS..Hα-helixtrans-62.5-49.5176.9-173.8-113.1000112.1R26 L27 S32 T33 I34 I99 I102R26-F30 WeakPolarHBondContact O-CB 3.23Å; R26-F30 PolarHBondContact O-N 3.08Å; L27-F30 WeakPolarHBondContact O-CB 3.36Å; L27-F30 PolarHBondContact O-N 2.95Å; F30-S32 VanDerWaalsContact C-N 3.34Å; F30-S32 PolarHBondContact O-N 3.48Å; F30-T33 PolarHBondContact O-N 2.89Å; F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CD2-CD1 4.42Å; F30-I34 HydrophobicContact CE1-CD1 3.3Å; F30-I34 HydrophobicContact CE2-CD1 4.09Å; F30-I34 HydrophobicContact CG-CD1 4.26Å; F30-I34 HydrophobicContact CZ-CD1 3.53Å; F30-I34 HydrophobicContact CZ-CG1 4.47Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 3.15Å; F30-I99 HydrophobicContact CE2-CG2 4.19Å; F30-I102 HydrophobicContact CB-CG2 4.12Å; F30-I102 HydrophobicContact CD2-CB 4Å; F30-I102 HydrophobicContact CD2-CD1 4.41Å; F30-I102 HydrophobicContact CD2-CG2 3.54Å; F30-I102 HydrophobicContact CE2-CG2 4.29Å; F30-I102 HydrophobicContact CG-CG2 4.14Å
31I88.8Confident80.5Confident74 Ų7461.4 Ų61.438%0.37935%0.346SS..Hα-helixtrans-61.8-43.8177-65.7166.7000110.4L23 L27 T33 I34 T35L23-I31 HydrophobicContact CD2-CD1 3.88Å; L27-I31 HydrophobicContact CD1-CD1 4.17Å; L27-I31 HydrophobicContact CD1-CG1 4.37Å; L27-I31 HydrophobicContact CG-CD1 3.91Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.1Å; L27-I31 PolarHBondContact O-N 3.31Å; I31-T33 VanDerWaalsContact C-N 3.32Å; I31-T33 PolarHBondContact O-N 3.47Å; I31-I34 PolarHBondContact O-N 2.99Å; I31-T35 HydrophobicContact CG2-CG2 4.43Å; I31-T35 WeakPolarHBondContact O-CB 3.39Å; I31-T35 WeakPolarHBondContact O-CG2 3.32Å; I31-T35 PolarHBondContact O-N 3.22Å; I31-T35 PolarHBondContact O-OG1 3.43Å
32S89.9Confident83.2Confident50 Ų5057.5 Ų57.535%0.3533%0.332SS..Hα-helixtrans-61-39.9176.1177.30000112.3G28 C29 F30 T35 T36G28-S32 VanDerWaalsContact O-CB 3.25Å; G28-S32 WeakPolarHBondContact O-CB 3.45Å; G28-S32 PolarHBondContact O-N 3.08Å; C29-S32 PolarHBondContact O-N 3.07Å; F30-S32 VanDerWaalsContact C-N 3.34Å; F30-S32 PolarHBondContact O-N 3.48Å; S32-T35 WeakPolarHBondContact CA-OG1 3.4Å; S32-T35 PolarHBondContact O-OG1 3.41Å; S32-T36 WeakPolarHBondContact O-CB 3.44Å; S32-T36 PolarHBondContact O-N 2.93Å; S32-T36 PolarHBondContact O-OG1 3.34Å
33T90.3Very high85.4Confident0 Ų054.8 Ų54.80%031%0.314CS..Hα-helixtrans-70.8-39.5178.6-48.70000111.4C29 F30 I31 T36 A37 S95 V98 I99 W120C29-T33 WeakPolarHBondContact O-CB 3.3Å; C29-T33 PolarHBondContact O-N 3.43Å; C29-T33 PolarHBondContact O-OG1 3.38Å; F30-T33 PolarHBondContact O-N 2.89Å; I31-T33 VanDerWaalsContact C-N 3.32Å; I31-T33 PolarHBondContact O-N 3.47Å; T33-T36 PolarHBondContact O-N 3.33Å; T33-A37 WeakPolarHBondContact O-CB 3.31Å; T33-A37 PolarHBondContact O-N 2.78Å; T33-S95 WeakPolarHBondContact CG2-O 3.41Å; T33-V98 HydrophobicContact CG2-CB 3.96Å; T33-V98 HydrophobicContact CG2-CG1 3.85Å; T33-I99 HydrophobicContact CG2-CD1 4.2Å; T33-I99 HydrophobicContact CG2-CG1 3.69Å; T33-W120 HydrophobicContact CG2-CZ2 4.26Å
34I92.9Very high87.3Confident58 Ų5854.7 Ų54.730%0.29731%0.309SS..Hα-helixtrans-63.7-48.5175.9-71.9171.5000111.1F30 I31 T36 A37 I38 I99F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CD2-CD1 4.42Å; F30-I34 HydrophobicContact CE1-CD1 3.3Å; F30-I34 HydrophobicContact CE2-CD1 4.09Å; F30-I34 HydrophobicContact CG-CD1 4.26Å; F30-I34 HydrophobicContact CZ-CD1 3.53Å; F30-I34 HydrophobicContact CZ-CG1 4.47Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 3.15Å; I31-I34 PolarHBondContact O-N 2.99Å; I34-T36 VanDerWaalsContact C-N 3.27Å; I34-T36 PolarHBondContact O-N 3.07Å; I34-A37 PolarHBondContact O-N 2.76Å; I34-A37 VanDerWaalsContact O-N 3.13Å; I34-I38 HydrophobicContact CG2-CD1 3.77Å; I34-I38 HydrophobicContact CG2-CG1 4.42Å; I34-I38 WeakPolarHBondContact O-CG1 3.33Å; I34-I38 PolarHBondContact O-N 3.11Å; I34-I99 HydrophobicContact CG1-CD1 4.12Å; I34-I99 HydrophobicContact CG1-CG1 4.27Å
35T93.3Very high88.7Confident78 Ų7856.2 Ų56.248%0.47932%0.316SS..Hα-helixtrans-61.6-38.3178.347.80000111.5I31 S32 S39I31-T35 HydrophobicContact CG2-CG2 4.43Å; I31-T35 WeakPolarHBondContact O-CB 3.39Å; I31-T35 WeakPolarHBondContact O-CG2 3.32Å; I31-T35 PolarHBondContact O-N 3.22Å; I31-T35 PolarHBondContact O-OG1 3.43Å; S32-T35 WeakPolarHBondContact CA-OG1 3.4Å; S32-T35 PolarHBondContact O-OG1 3.41Å; T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 3.49Å
36T93.5Very high89.6Confident13 Ų1354.6 Ų54.68%0.0830%0.302CS..Hα-helixtrans-62.9-45.3171.9-57.10000111.6S32 T33 I34 I38 S39 S40 L91 W120 M124S32-T36 WeakPolarHBondContact O-CB 3.44Å; S32-T36 PolarHBondContact O-N 2.93Å; S32-T36 PolarHBondContact O-OG1 3.34Å; T33-T36 PolarHBondContact O-N 3.33Å; I34-T36 VanDerWaalsContact C-N 3.27Å; I34-T36 PolarHBondContact O-N 3.07Å; T36-I38 PolarHBondContact O-N 3.45Å; T36-S39 WeakPolarHBondContact CA-OG 3.43Å; T36-S39 PolarHBondContact O-N 3.34Å; T36-S39 PolarHBondContact O-OG 3.23Å; T36-S39 VanDerWaalsContact O-OG 3.06Å; T36-S40 VanDerWaalsContact O-CB 3.24Å; T36-S40 WeakPolarHBondContact O-CB 3.23Å; T36-S40 PolarHBondContact O-N 2.97Å; T36-S40 PolarHBondContact O-OG 2.88Å; T36-L91 HydrophobicContact CG2-CD1 4.08Å; T36-L91 HydrophobicContact CG2-CD2 4Å; T36-L91 HydrophobicContact CG2-CG 4.15Å; T36-W120 HydrophobicContact CG2-CZ2 4.2Å; T36-M124 HydrophobicContact CG2-CE 3.81Å; T36-M124 HydrophobicContact CG2-SD 3.5Å; T36-M124 VanDerWaalsContact CG2-SD 3.5Å
37A93.7Very high90.5Very high16 Ų1653 Ų5313%0.13230%0.297CS..Hα-helixtrans-61.8-45.9178.700000111.7T33 I34 S40 A41 I99T33-A37 WeakPolarHBondContact O-CB 3.31Å; T33-A37 PolarHBondContact O-N 2.78Å; I34-A37 PolarHBondContact O-N 2.76Å; I34-A37 VanDerWaalsContact O-N 3.13Å; A37-S40 PolarHBondContact O-OG 3.42Å; A37-A41 VanDerWaalsContact O-CB 3.28Å; A37-A41 WeakPolarHBondContact O-CB 3.28Å; A37-A41 PolarHBondContact O-N 2.86Å; A37-I99 HydrophobicContact CB-CD1 3.91Å
38I95.2Very high91.2Very high97 Ų9751.2 Ų51.250%0.49729%0.289SS..Hα-helixtrans-64.6-49.2178.9-65.3168.8000110.9I34 T36 A41 I42I34-I38 HydrophobicContact CG2-CD1 3.77Å; I34-I38 HydrophobicContact CG2-CG1 4.42Å; I34-I38 WeakPolarHBondContact O-CG1 3.33Å; I34-I38 PolarHBondContact O-N 3.11Å; T36-I38 PolarHBondContact O-N 3.45Å; I38-A41 PolarHBondContact O-N 2.71Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.46Å; I38-I42 PolarHBondContact O-N 3.23Å
39S93.7Very high91.5Very high61 Ų6154.3 Ų54.343%0.42730%0.299SS..Hα-helixtrans-61.8-45.1178.850.70000111.9T35 T36 A41 I42 S43T35-S39 WeakPolarHBondContact O-CB 3.45Å; T35-S39 PolarHBondContact O-N 2.9Å; T35-S39 PolarHBondContact O-OG 3.49Å; T36-S39 WeakPolarHBondContact CA-OG 3.43Å; T36-S39 PolarHBondContact O-N 3.34Å; T36-S39 PolarHBondContact O-OG 3.23Å; T36-S39 VanDerWaalsContact O-OG 3.06Å; S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 3.12Å; S39-I42 PolarHBondContact O-N 3.25Å; S39-S43 WeakPolarHBondContact O-CB 3.33Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 3.49Å
40S92.4Very high91.7Very high3 Ų356.3 Ų56.32%0.02131%0.307CS..Hα-helixtrans-63.6-35.7175.867.70000113T36 A37 W44T36-S40 VanDerWaalsContact O-CB 3.24Å; T36-S40 WeakPolarHBondContact O-CB 3.23Å; T36-S40 PolarHBondContact O-N 2.97Å; T36-S40 PolarHBondContact O-OG 2.88Å; A37-S40 PolarHBondContact O-OG 3.42Å; S40-W44 WeakPolarHBondContact O-CB 3.27Å; S40-W44 PolarHBondContact O-N 3.35Å
41A94Very high91.7Very high32 Ų3255.8 Ų55.826%0.26431%0.307SS..Hα-helixtrans-67.3-43.4176.100000111.7A37 I38 S39 W44 I45 L92A37-A41 VanDerWaalsContact O-CB 3.28Å; A37-A41 WeakPolarHBondContact O-CB 3.28Å; A37-A41 PolarHBondContact O-N 2.86Å; I38-A41 PolarHBondContact O-N 2.71Å; S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 3.12Å; A41-W44 PolarHBondContact O-N 2.82Å; A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.49Å; A41-I45 PolarHBondContact O-N 2.9Å; A41-L92 HydrophobicContact CB-CD1 3.99Å
42I93.9Very high91.6Very high85 Ų8556.1 Ų56.144%0.43631%0.312SS..Hα-helixtrans-61.7-49.1174.9-67168.1000109.9I38 S39 W44 I45 F46I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.46Å; I38-I42 PolarHBondContact O-N 3.23Å; S39-I42 PolarHBondContact O-N 3.25Å; I42-W44 VanDerWaalsContact C-N 3.3Å; I42-W44 PolarHBondContact O-N 2.95Å; I42-I45 PolarHBondContact O-N 3.49Å; I42-F46 HydrophobicContact CG2-CD2 3.82Å; I42-F46 HydrophobicContact CG2-CE2 3.53Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.87Å; I42-F46 VanDerWaalsContact O-N 3.12Å
43S92Very high91.2Very high48 Ų4856.4 Ų56.434%0.33631%0.312SS..Hα-helixtrans-58.8-40.9176.3-66.70000112.3S39 F46 V47 N88S39-S43 WeakPolarHBondContact O-CB 3.33Å; S39-S43 PolarHBondContact O-N 3.46Å; S39-S43 PolarHBondContact O-OG 3.49Å; S43-F46 PolarHBondContact O-N 3.19Å; S43-V47 WeakPolarHBondContact O-CG2 3.37Å; S43-V47 PolarHBondContact O-N 2.97Å; S43-N88 WeakPolarHBondContact CB-OD1 3.27Å
44W93.7Very high90.4Very high74 Ų7459.1 Ų59.128%0.2832%0.322SS..Hα-helixtrans-63.1-41.2176.9-17181.2000112.2S40 A41 I42 V47 V48 F85 N88S40-W44 WeakPolarHBondContact O-CB 3.27Å; S40-W44 PolarHBondContact O-N 3.35Å; A41-W44 PolarHBondContact O-N 2.82Å; I42-W44 VanDerWaalsContact C-N 3.3Å; I42-W44 PolarHBondContact O-N 2.95Å; W44-V47 PolarHBondContact O-N 3.42Å; W44-V48 HydrophobicContact CD2-CG2 4.04Å; W44-V48 HydrophobicContact CE3-CG2 4.07Å; W44-V48 HydrophobicContact CH2-CG2 3.95Å; W44-V48 HydrophobicContact CZ2-CG2 3.9Å; W44-V48 HydrophobicContact CZ3-CG2 4.02Å; W44-V48 WeakPolarHBondContact O-CG2 3.5Å; W44-V48 PolarHBondContact O-N 3.08Å; W44-F85 AromaticContact CE2-CE2 3.51Å; W44-F85 HydrophobicContact CH2-CE2 4.47Å; W44-F85 HydrophobicContact CZ2-CD2 4.36Å; W44-F85 AromaticContact CZ2-CE2 3.41Å; W44-F85 HydrophobicContact CZ2-CE2 3.41Å; W44-F85 VanDerWaalsContact CZ2-CE2 3.41Å; W44-F85 AromaticContact CZ2-CZ 3.83Å; W44-F85 HydrophobicContact CZ2-CZ 3.83Å; W44-F85 AromaticContact NE1-CD2 3.48Å; W44-F85 AromaticContact NE1-CE2 3.32Å; W44-F85 VanDerWaalsContact NE1-CE2 3.32Å; W44-F85 AromaticContact NE1-CZ 3.9Å; W44-N88 HydrophobicContact CB-CB 3.95Å; W44-N88 HydrophobicContact CG-CB 4.27Å
45I93.2Very high89.6Confident92 Ų9260.1 Ų60.147%0.47234%0.339SS..Hα-helixtrans-60.4-46.2175.5-68.5162.7000110.7A41 I42 V47 V48 L49A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.49Å; A41-I45 PolarHBondContact O-N 2.9Å; I42-I45 PolarHBondContact O-N 3.49Å; I45-V47 PolarHBondContact O-N 3.48Å; I45-V48 PolarHBondContact O-N 3.19Å; I45-L49 HydrophobicContact CG2-CD1 4.1Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 WeakPolarHBondContact O-CG 3.38Å; I45-L49 PolarHBondContact O-N 3.35Å
46F91.4Very high88.8Confident122 Ų12260.5 Ų60.554%0.53534%0.337SS..Hα-helixtrans-60.6-45.7177.7-78.6-68.5000112.2I42 S43 V48 L49 D50I42-F46 HydrophobicContact CG2-CD2 3.82Å; I42-F46 HydrophobicContact CG2-CE2 3.53Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.87Å; I42-F46 VanDerWaalsContact O-N 3.12Å; S43-F46 PolarHBondContact O-N 3.19Å; F46-V48 VanDerWaalsContact C-N 3.28Å; F46-V48 PolarHBondContact O-N 2.9Å; F46-L49 WeakPolarHBondContact O-CB 3.26Å; F46-L49 PolarHBondContact O-N 3.37Å; F46-L49 VanDerWaalsContact O-N 3.11Å; F46-D50 PolarHBondContact O-N 3.24Å
47V90.7Very high87.3Confident14 Ų1465.7 Ų65.79%0.08537%0.372CS..Hα-helixtrans-61.7-37.5176.7173.90000111.8S43 W44 I45 D50 L51 D81 M84 F85S43-V47 WeakPolarHBondContact O-CG2 3.37Å; S43-V47 PolarHBondContact O-N 2.97Å; W44-V47 PolarHBondContact O-N 3.42Å; I45-V47 PolarHBondContact O-N 3.48Å; V47-D50 PolarHBondContact O-N 3.5Å; V47-L51 HydrophobicContact CG1-CD1 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.42Å; V47-D81 HydrophobicContact CG1-CB 4.38Å; V47-D81 WeakPolarHBondContact CG1-O 3.4Å; V47-M84 HydrophobicContact CG2-CB 4.07Å; V47-F85 HydrophobicContact CG1-CB 3.76Å
48V91.3Very high85.9Confident42 Ų4271.5 Ų71.526%0.25540%0.4SS..Hα-helixtrans-65-43.4174.2169.20000111.2W44 I45 F46 D50 L51 V52 F85W44-V48 HydrophobicContact CD2-CG2 4.04Å; W44-V48 HydrophobicContact CE3-CG2 4.07Å; W44-V48 HydrophobicContact CH2-CG2 3.95Å; W44-V48 HydrophobicContact CZ2-CG2 3.9Å; W44-V48 HydrophobicContact CZ3-CG2 4.02Å; W44-V48 WeakPolarHBondContact O-CG2 3.5Å; W44-V48 PolarHBondContact O-N 3.08Å; I45-V48 PolarHBondContact O-N 3.19Å; F46-V48 VanDerWaalsContact C-N 3.28Å; F46-V48 PolarHBondContact O-N 2.9Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 2.9Å; V48-L51 PolarHBondContact O-N 2.94Å; V48-V52 HydrophobicContact CG1-CG2 4.26Å; V48-V52 WeakPolarHBondContact O-CB 3.48Å; V48-V52 VanDerWaalsContact O-CG2 3.23Å; V48-V52 WeakPolarHBondContact O-CG2 3.22Å; V48-V52 PolarHBondContact O-N 3.5Å; V48-F85 HydrophobicContact CG2-CD2 3.81Å; V48-F85 HydrophobicContact CG2-CE2 3.61Å
49L89.2Confident84.2Confident93 Ų9370.7 Ų70.749%0.48739%0.393SS..Hα-helixtrans-61.5-39.4176.1-69.3172.4000111.6I45 F46 V52 T53I45-L49 HydrophobicContact CG2-CD1 4.1Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 WeakPolarHBondContact O-CG 3.38Å; I45-L49 PolarHBondContact O-N 3.35Å; F46-L49 WeakPolarHBondContact O-CB 3.26Å; F46-L49 PolarHBondContact O-N 3.37Å; F46-L49 VanDerWaalsContact O-N 3.11Å; L49-V52 PolarHBondContact O-N 3.03Å; L49-T53 WeakPolarHBondContact O-CB 3.32Å; L49-T53 PolarHBondContact O-N 3.35Å; L49-T53 PolarHBondContact O-OG1 3.15Å
50D85.9Confident82.3Confident73 Ų7372.8 Ų72.839%0.3940%0.403SS..Hα-helixtrans-62.9-49.1175.5-69.2-28.8000110.6F46 V47 V48 V52 T53 W54F46-D50 PolarHBondContact O-N 3.24Å; V47-D50 PolarHBondContact O-N 3.5Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 2.9Å; D50-V52 VanDerWaalsContact C-N 3.32Å; D50-V52 PolarHBondContact O-N 3.39Å; D50-T53 WeakPolarHBondContact O-CB 3.26Å; D50-T53 PolarHBondContact O-N 3.34Å; D50-T53 VanDerWaalsContact O-N 3.17Å; D50-W54 PolarHBondContact O-N 2.9Å; D50-W54 VanDerWaalsContact O-N 3.08Å
51L87Confident80.7Confident46 Ų4676.3 Ų76.324%0.24142%0.421CS..Hα-helixtrans-61.8-36.1176.5-70.5173.3000113.3V47 V48 W54 A55 D81 I82 F85V47-L51 HydrophobicContact CG1-CD1 4.25Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 3.42Å; V48-L51 PolarHBondContact O-N 2.94Å; L51-W54 PolarHBondContact O-N 3.43Å; L51-A55 PolarHBondContact O-N 3.4Å; L51-D81 HydrophobicContact CD2-CB 3.79Å; L51-D81 HydrophobicContact CG-CB 4.15Å; L51-I82 HydrophobicContact CD2-CG1 3.9Å; L51-F85 HydrophobicContact CD1-CB 4.07Å; L51-F85 HydrophobicContact CD1-CD2 4.13Å; L51-F85 HydrophobicContact CD1-CG 4.22Å
52V85.9Confident78.8Confident81 Ų8179.8 Ų79.849%0.49144%0.435SS..Hα-helixtrans-68-42175.6169.40000110.4V48 L49 D50 W54 A55 I56V48-V52 HydrophobicContact CG1-CG2 4.26Å; V48-V52 WeakPolarHBondContact O-CB 3.48Å; V48-V52 VanDerWaalsContact O-CG2 3.23Å; V48-V52 WeakPolarHBondContact O-CG2 3.22Å; V48-V52 PolarHBondContact O-N 3.5Å; L49-V52 PolarHBondContact O-N 3.03Å; D50-V52 VanDerWaalsContact C-N 3.32Å; D50-V52 PolarHBondContact O-N 3.39Å; V52-W54 PolarHBondContact O-N 3.26Å; V52-A55 PolarHBondContact O-N 3.47Å; V52-I56 PolarHBondContact O-N 2.87Å
53T81.2Confident76.7Confident56 Ų5680.4 Ų80.434%0.34445%0.445SS..Hα-helixtrans-55.4-42.1174.3-55.60000111.3L49 D50 A55 I56 F59L49-T53 WeakPolarHBondContact O-CB 3.32Å; L49-T53 PolarHBondContact O-N 3.35Å; L49-T53 PolarHBondContact O-OG1 3.15Å; D50-T53 WeakPolarHBondContact O-CB 3.26Å; D50-T53 PolarHBondContact O-N 3.34Å; D50-T53 VanDerWaalsContact O-N 3.17Å; T53-A55 VanDerWaalsContact C-N 3.27Å; T53-A55 PolarHBondContact O-N 2.69Å; T53-I56 PolarHBondContact O-N 3.27Å; T53-F59 HydrophobicContact CG2-CD2 3.66Å; T53-F59 HydrophobicContact CG2-CE2 3.48Å; T53-F59 VanDerWaalsContact CG2-CE2 3.48Å; T53-F59 HydrophobicContact CG2-CZ 4.32Å
54W74Confident74.6Confident57 Ų5785 Ų8522%0.21646%0.461CS..Hα-helixtrans-65.4-24.7175.9-72.7116.4000114.5D50 L51 V52 F59 I61 W74 I78 D81D50-W54 PolarHBondContact O-N 2.9Å; D50-W54 VanDerWaalsContact O-N 3.08Å; L51-W54 PolarHBondContact O-N 3.43Å; V52-W54 PolarHBondContact O-N 3.26Å; W54-F59 HydrophobicContact CE3-CD1 4.05Å; W54-F59 AromaticContact CE3-CE1 3.86Å; W54-F59 HydrophobicContact CE3-CE1 3.86Å; W54-F59 AromaticContact CH2-CE1 3.77Å; W54-F59 HydrophobicContact CH2-CE1 3.77Å; W54-F59 HydrophobicContact CH2-CZ 4.34Å; W54-F59 AromaticContact CZ3-CD1 3.89Å; W54-F59 HydrophobicContact CZ3-CD1 3.89Å; W54-F59 AromaticContact CZ3-CE1 3.37Å; W54-F59 HydrophobicContact CZ3-CE1 3.37Å; W54-F59 HydrophobicContact CZ3-CZ 4.3Å; W54-I61 HydrophobicContact CZ3-CD1 4.05Å; W54-I61 HydrophobicContact CZ3-CG1 4.27Å; W54-W74 HydrophobicContact CH2-CB 4.46Å; W54-W74 AromaticContact CH2-CD2 3.9Å; W54-W74 HydrophobicContact CH2-CD2 3.9Å; W54-W74 AromaticContact CH2-CE3 3.16Å; W54-W74 HydrophobicContact CH2-CE3 3.16Å; W54-W74 HydrophobicContact CH2-CG 4.49Å; W54-W74 HydrophobicContact CH2-CH2 4.44Å; W54-W74 AromaticContact CH2-CZ3 3.46Å; W54-W74 HydrophobicContact CH2-CZ3 3.46Å; W54-W74 VanDerWaalsContact CH2-CZ3 3.46Å; W54-W74 AromaticContact CZ2-CE3 3.55Å; W54-W74 HydrophobicContact CZ2-CE3 3.55Å; W54-W74 AromaticContact CZ2-CZ3 3.7Å; W54-W74 HydrophobicContact CZ2-CZ3 3.7Å; W54-W74 HydrophobicContact CZ3-CE3 4.34Å; W54-I78 HydrophobicContact CD2-CD1 3.95Å; W54-I78 HydrophobicContact CD2-CG1 3.7Å; W54-I78 HydrophobicContact CE3-CD1 3.87Å; W54-I78 HydrophobicContact CE3-CG1 4.13Å; W54-I78 HydrophobicContact CG-CD1 4.39Å; W54-I78 HydrophobicContact CG-CG1 3.96Å; W54-I78 HydrophobicContact CZ2-CG1 4.34Å; W54-I78 HydrophobicContact CZ3-CD1 4.31Å; W54-D81 PolarHBondContact NE1-OD2 2.92Å
55A76.4Confident72.3Confident80 Ų8087.3 Ų87.366%0.66147%0.473SS*.Hα-helixtrans-87.5-12.1-177.100000113.7L51 V52 T53L51-A55 PolarHBondContact O-N 3.4Å; V52-A55 PolarHBondContact O-N 3.47Å; T53-A55 VanDerWaalsContact C-N 3.27Å; T53-A55 PolarHBondContact O-N 2.69Å
56I77Confident70.2Confident85 Ų8588.6 Ų88.644%0.43649%0.488SS..  trans-72.4123.1179.2-64.2168.5000108.7V52 T53 D58 F59V52-I56 PolarHBondContact O-N 2.87Å; T53-I56 PolarHBondContact O-N 3.27Å; I56-D58 HydrophobicContact CG2-CB 4.25Å; I56-D58 PolarHBondContact O-N 2.91Å; I56-F59 VanDerWaalsContact O-CB 3.22Å; I56-F59 WeakPolarHBondContact O-CB 3.33Å; I56-F59 PolarHBondContact O-N 3.02Å
57P62.4Low68.6Low123 Ų12385.3 Ų85.380%0.79948%0.478SS*.THydrogen-bonded Turntrans-65.4-23.7-175.626-34.6000113.3F59P57-F59 VanDerWaalsContact C-N 3.25Å; P57-F59 PolarHBondContact O-N 3.19Å
58D63.7Low66.9Low138 Ų13894.3 Ų94.374%0.73851%0.512SS*.THydrogen-bonded Turntrans-85.87.5175.9-59.4-37.4000113I56 V60I56-D58 HydrophobicContact CG2-CB 4.25Å; I56-D58 PolarHBondContact O-N 2.91Å; D58-V60 PolarHBondContact O-N 2.9Å
59F59Low65.4Low79 Ų7998.2 Ų98.235%0.34652%0.522SS..  trans-70.979.7171.1-167.1-99.3000109.5T53 W54 I56 P57 I61T53-F59 HydrophobicContact CG2-CD2 3.66Å; T53-F59 HydrophobicContact CG2-CE2 3.48Å; T53-F59 VanDerWaalsContact CG2-CE2 3.48Å; T53-F59 HydrophobicContact CG2-CZ 4.32Å; W54-F59 HydrophobicContact CE3-CD1 4.05Å; W54-F59 AromaticContact CE3-CE1 3.86Å; W54-F59 HydrophobicContact CE3-CE1 3.86Å; W54-F59 AromaticContact CH2-CE1 3.77Å; W54-F59 HydrophobicContact CH2-CE1 3.77Å; W54-F59 HydrophobicContact CH2-CZ 4.34Å; W54-F59 AromaticContact CZ3-CD1 3.89Å; W54-F59 HydrophobicContact CZ3-CD1 3.89Å; W54-F59 AromaticContact CZ3-CE1 3.37Å; W54-F59 HydrophobicContact CZ3-CE1 3.37Å; W54-F59 HydrophobicContact CZ3-CZ 4.3Å; I56-F59 VanDerWaalsContact O-CB 3.22Å; I56-F59 WeakPolarHBondContact O-CB 3.33Å; I56-F59 PolarHBondContact O-N 3.02Å; P57-F59 VanDerWaalsContact C-N 3.25Å; P57-F59 PolarHBondContact O-N 3.19Å; F59-I61 HydrophobicContact CD1-CG1 3.96Å; F59-I61 HydrophobicContact CE1-CG1 3.74Å; F59-I61 PolarHBondContact O-N 2.9Å; F59-I61 VanDerWaalsContact O-N 3.11Å
60V55Low64Low105 Ų10597.9 Ų97.964%0.63651%0.514SS*.  trans-70.9104.2169-178.20000106.3D58 D62D58-V60 PolarHBondContact O-N 2.9Å; V60-D62 VanDerWaalsContact C-N 3.28Å; V60-D62 PolarHBondContact O-N 3.2Å
61I58.1Low62.7Low78 Ų7899.2 Ų99.240%0.452%0.52SS..  trans-60.2103.3160.7-60.4170.4000104.7W54 F59 P63 W74W54-I61 HydrophobicContact CZ3-CD1 4.05Å; W54-I61 HydrophobicContact CZ3-CG1 4.27Å; F59-I61 HydrophobicContact CD1-CG1 3.96Å; F59-I61 HydrophobicContact CE1-CG1 3.74Å; F59-I61 PolarHBondContact O-N 2.9Å; F59-I61 VanDerWaalsContact O-N 3.11Å; I61-P63 VanDerWaalsContact O-CD 3.3Å; I61-P63 WeakPolarHBondContact O-CD 3.25Å; I61-W74 HydrophobicContact CD1-CG 4.43Å; I61-W74 HydrophobicContact CG2-CZ2 4.21Å
62D53.4Low61.8Low104 Ų104106.7 Ų106.756%0.55655%0.545SS*.  trans-48.6117.3-178-102.8-36.4000108.7V60 Q64V60-D62 VanDerWaalsContact C-N 3.28Å; V60-D62 PolarHBondContact O-N 3.2Å; D62-Q64 HydrophobicContact CB-CG 4.29Å; D62-Q64 PolarHBondContact O-N 3.38Å
63P49.3Very low61Low98 Ų98105 Ų10564%0.63653%0.531SS*.THydrogen-bonded Turntrans-71.111.8-177.328.5-34.3000112.4I61 F65I61-P63 VanDerWaalsContact O-CD 3.3Å; I61-P63 WeakPolarHBondContact O-CD 3.25Å; P63-F65 CarbonylContact O-C 3.53Å; P63-F65 PolarHBondContact O-N 3.46Å
64Q48.7Very low60.6Low145 Ų145106.1 Ų106.168%0.67853%0.529SS*.THydrogen-bonded Turntrans-55.4-9.7177.2-69.9-173.8-4.200113.6D62D62-Q64 HydrophobicContact CB-CG 4.29Å; D62-Q64 PolarHBondContact O-N 3.38Å
65F45.4Very low60.7Low123 Ų123110.4 Ų110.454%0.53955%0.549SS..SBendtrans-12087.1167.7-57.3-75.7000111.6P63 T67P63-F65 CarbonylContact O-C 3.53Å; P63-F65 PolarHBondContact O-N 3.46Å; F65-T67 PolarHBondContact O-N 2.87Å
66P50Low61Low119 Ų119107.3 Ų107.377%0.77353%0.526SS*.  trans-72.325.3-16729.5-37.3000115.6
67T56.3Low61.3Low53 Ų53104.3 Ų104.333%0.32551%0.509SS..  trans-107.4119-170.951.60000112.7F65 W69 R70F65-T67 PolarHBondContact O-N 2.87Å; T67-W69 PolarHBondContact O-N 3.3Å; T67-W69 PolarHBondContact OG1-NE1 2.91Å; T67-W69 VanDerWaalsContact OG1-NE1 3.08Å; T67-R70 WeakPolarHBondContact O-CB 3.35Å; T67-R70 PolarHBondContact O-N 3.47Å
68Y55.8Low62.4Low203 Ų203101 Ų10180%0.79648%0.484SS*.Hα-helixtrans-49.9-27.6-180-75.3-81.8000115.6R70Y68-R70 VanDerWaalsContact C-N 3.33Å; Y68-R70 PolarHBondContact O-N 3Å
69W58.7Low63.5Low124 Ų124100.2 Ų100.247%0.4748%0.48SS..Hα-helixtrans-62.9-41.7176.864.6-85.3000110.4T67 I71 R72 F73 W141T67-W69 PolarHBondContact O-N 3.3Å; T67-W69 PolarHBondContact OG1-NE1 2.91Å; T67-W69 VanDerWaalsContact OG1-NE1 3.08Å; W69-I71 VanDerWaalsContact C-N 3.3Å; W69-I71 PolarHBondContact O-N 3.49Å; W69-R72 WeakPolarHBondContact O-CB 3.38Å; W69-R72 PolarHBondContact O-N 3.49Å; W69-F73 VanDerWaalsContact C-CE2 3.4Å; W69-F73 HydrophobicContact CB-CE2 3.98Å; W69-F73 AromaticContact CD2-CE2 3.93Å; W69-F73 HydrophobicContact CD2-CE2 3.93Å; W69-F73 AromaticContact CE3-CD2 3.87Å; W69-F73 HydrophobicContact CE3-CD2 3.87Å; W69-F73 AromaticContact CE3-CE2 3.1Å; W69-F73 HydrophobicContact CE3-CE2 3.1Å; W69-F73 AromaticContact CE3-CZ 3.67Å; W69-F73 HydrophobicContact CE3-CZ 3.67Å; W69-F73 HydrophobicContact CG-CE2 4.33Å; W69-F73 HydrophobicContact CZ3-CD2 4.29Å; W69-F73 AromaticContact CZ3-CE2 3.82Å; W69-F73 HydrophobicContact CZ3-CE2 3.82Å; W69-F73 HydrophobicContact CZ3-CZ 4.25Å; W69-F73 WeakPolarHBondContact O-CD2 3.5Å; W69-F73 WeakPolarHBondContact O-CE2 3.28Å; W69-W141 HydrophobicContact CZ3-CZ3 4.08Å
70R59.8Low65Low86 Ų8697.1 Ų97.133%0.32547%0.468SS..Hα-helixtrans-56.3-35.4-178.4-72.1-169.1-175.8-151.95114.3T67 Y68 R72 F73 W74T67-R70 WeakPolarHBondContact O-CB 3.35Å; T67-R70 PolarHBondContact O-N 3.47Å; Y68-R70 VanDerWaalsContact C-N 3.33Å; Y68-R70 PolarHBondContact O-N 3Å; R70-R72 VanDerWaalsContact C-N 3.28Å; R70-R72 PolarHBondContact O-N 2.69Å; R70-F73 PolarHBondContact O-N 2.93Å; R70-F73 VanDerWaalsContact O-N 3.08Å; R70-W74 PolarHBondContact O-N 2.82Å
71I60.6Low66.7Low101 Ų10193.2 Ų93.252%0.51844%0.443SS..Hα-helixtrans-61-35.4177-62.4169.2000111.9W69 F73 K75W69-I71 VanDerWaalsContact C-N 3.3Å; W69-I71 PolarHBondContact O-N 3.49Å; I71-F73 VanDerWaalsContact C-N 3.31Å; I71-F73 PolarHBondContact O-N 3.34Å; I71-K75 PolarHBondContact O-N 2.91Å
72R67Low68.2Low202 Ų20293.2 Ų93.276%0.76244%0.443SS*.Hα-helixtrans-69.3-30.5177.3-63.4-175.4-177.2178.40.7112.1W69 R70 K75 G76W69-R72 WeakPolarHBondContact O-CB 3.38Å; W69-R72 PolarHBondContact O-N 3.49Å; R70-R72 VanDerWaalsContact C-N 3.28Å; R70-R72 PolarHBondContact O-N 2.69Å; R72-K75 PolarHBondContact O-N 3.47Å; R72-G76 PolarHBondContact O-N 2.85Å
73F69.4Low70.1Confident46 Ų4693.5 Ų93.520%0.20244%0.44CS..Hα-helixtrans-72.2-40.1179-61.4-75.4000111.9W69 R70 I71 K75 G76 F77 Y137 W141W69-F73 VanDerWaalsContact C-CE2 3.4Å; W69-F73 HydrophobicContact CB-CE2 3.98Å; W69-F73 AromaticContact CD2-CE2 3.93Å; W69-F73 HydrophobicContact CD2-CE2 3.93Å; W69-F73 AromaticContact CE3-CD2 3.87Å; W69-F73 HydrophobicContact CE3-CD2 3.87Å; W69-F73 AromaticContact CE3-CE2 3.1Å; W69-F73 HydrophobicContact CE3-CE2 3.1Å; W69-F73 AromaticContact CE3-CZ 3.67Å; W69-F73 HydrophobicContact CE3-CZ 3.67Å; W69-F73 HydrophobicContact CG-CE2 4.33Å; W69-F73 HydrophobicContact CZ3-CD2 4.29Å; W69-F73 AromaticContact CZ3-CE2 3.82Å; W69-F73 HydrophobicContact CZ3-CE2 3.82Å; W69-F73 HydrophobicContact CZ3-CZ 4.25Å; W69-F73 WeakPolarHBondContact O-CD2 3.5Å; W69-F73 WeakPolarHBondContact O-CE2 3.28Å; R70-F73 PolarHBondContact O-N 2.93Å; R70-F73 VanDerWaalsContact O-N 3.08Å; I71-F73 VanDerWaalsContact C-N 3.31Å; I71-F73 PolarHBondContact O-N 3.34Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.43Å; F73-G76 CarbonylContact O-C 3.52Å; F73-G76 WeakPolarHBondContact O-CA 3.45Å; F73-G76 PolarHBondContact O-N 2.94Å; F73-F77 HydrophobicContact CB-CE2 4.47Å; F73-F77 WeakPolarHBondContact O-CD2 3.42Å; F73-F77 PolarHBondContact O-N 2.89Å; F73-Y137 PolarHBondContact O-OH 3.11Å; F73-W141 AromaticContact CD1-CD2 3.72Å; F73-W141 HydrophobicContact CD1-CD2 3.72Å; F73-W141 AromaticContact CD1-CE2 3.33Å; F73-W141 AromaticContact CD1-CE3 3.97Å; F73-W141 HydrophobicContact CD1-CE3 3.97Å; F73-W141 AromaticContact CD1-CH2 3.64Å; F73-W141 HydrophobicContact CD1-CH2 3.64Å; F73-W141 AromaticContact CD1-CZ2 3.35Å; F73-W141 HydrophobicContact CD1-CZ2 3.35Å; F73-W141 AromaticContact CD1-CZ3 3.92Å; F73-W141 HydrophobicContact CD1-CZ3 3.92Å; F73-W141 AromaticContact CD1-NE1 3.81Å; F73-W141 HydrophobicContact CE1-CD2 4.11Å; F73-W141 AromaticContact CE1-CE2 3.54Å; F73-W141 HydrophobicContact CE1-CE3 4.07Å; F73-W141 AromaticContact CE1-CH2 2.96Å; F73-W141 HydrophobicContact CE1-CH2 2.96Å; F73-W141 AromaticContact CE1-CZ2 2.99Å; F73-W141 HydrophobicContact CE1-CZ2 2.99Å; F73-W141 AromaticContact CE1-CZ3 3.52Å; F73-W141 HydrophobicContact CE1-CZ3 3.52Å; F73-W141 HydrophobicContact CG-CD2 4.41Å; F73-W141 HydrophobicContact CG-CE3 4.48Å; F73-W141 AromaticContact CZ-CH2 3.49Å; F73-W141 HydrophobicContact CZ-CH2 3.49Å; F73-W141 VanDerWaalsContact CZ-CH2 3.49Å; F73-W141 AromaticContact CZ-CZ2 3.99Å; F73-W141 HydrophobicContact CZ-CZ2 3.99Å; F73-W141 AromaticContact CZ-CZ3 3.79Å; F73-W141 HydrophobicContact CZ-CZ3 3.79Å
74W72.6Confident72.2Confident80 Ų8089.5 Ų89.530%0.30341%0.412SS..Hα-helixtrans-58.7-39.5173.8-68.7117000112.1W54 I61 R70 G76 F77 I78W54-W74 HydrophobicContact CH2-CB 4.46Å; W54-W74 AromaticContact CH2-CD2 3.9Å; W54-W74 HydrophobicContact CH2-CD2 3.9Å; W54-W74 AromaticContact CH2-CE3 3.16Å; W54-W74 HydrophobicContact CH2-CE3 3.16Å; W54-W74 HydrophobicContact CH2-CG 4.49Å; W54-W74 HydrophobicContact CH2-CH2 4.44Å; W54-W74 AromaticContact CH2-CZ3 3.46Å; W54-W74 HydrophobicContact CH2-CZ3 3.46Å; W54-W74 VanDerWaalsContact CH2-CZ3 3.46Å; W54-W74 AromaticContact CZ2-CE3 3.55Å; W54-W74 HydrophobicContact CZ2-CE3 3.55Å; W54-W74 AromaticContact CZ2-CZ3 3.7Å; W54-W74 HydrophobicContact CZ2-CZ3 3.7Å; W54-W74 HydrophobicContact CZ3-CE3 4.34Å; I61-W74 HydrophobicContact CD1-CG 4.43Å; I61-W74 HydrophobicContact CG2-CZ2 4.21Å; R70-W74 PolarHBondContact O-N 2.82Å; W74-G76 VanDerWaalsContact C-N 3.28Å; W74-G76 PolarHBondContact O-N 2.86Å; W74-F77 HydrophobicContact CE3-CD2 4.21Å; W74-F77 PolarHBondContact O-N 3.22Å; W74-I78 WeakPolarHBondContact O-CG1 3.48Å; W74-I78 PolarHBondContact O-N 2.94Å
75K76Confident74.4Confident146 Ų14684.9 Ų84.964%0.63539%0.39SS*.Hα-helixtrans-60.9-37.2170.8-67-175.6177.5-172.70112.7I71 R72 F73 L79I71-K75 PolarHBondContact O-N 2.91Å; R72-K75 PolarHBondContact O-N 3.47Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.43Å; K75-L79 WeakPolarHBondContact O-CB 3.46Å; K75-L79 PolarHBondContact O-N 3.31Å
76G82.2Confident76.7Confident16 Ų1684.3 Ų84.317%0.16539%0.388CS..Hα-helixtrans-68.4-37.9175.200000113.1R72 F73 W74 L79 C80 Y137R72-G76 PolarHBondContact O-N 2.85Å; F73-G76 CarbonylContact O-C 3.52Å; F73-G76 WeakPolarHBondContact O-CA 3.45Å; F73-G76 PolarHBondContact O-N 2.94Å; W74-G76 VanDerWaalsContact C-N 3.28Å; W74-G76 PolarHBondContact O-N 2.86Å; G76-L79 PolarHBondContact O-N 3.41Å; G76-C80 PolarHBondContact O-N 2.92Å; G76-C80 PolarHBondContact O-SG 3.06Å; G76-Y137 WeakPolarHBondContact CA-OH 3.28Å
77F83.3Confident78.8Confident21 Ų2179.5 Ų79.59%0.09236%0.358CS..Hα-helixtrans-61.4-48.4172.9-78-71.1000111.6F73 W74 L79 C80 D81 Y137 T138 W141 Y142F73-F77 HydrophobicContact CB-CE2 4.47Å; F73-F77 WeakPolarHBondContact O-CD2 3.42Å; F73-F77 PolarHBondContact O-N 2.89Å; W74-F77 HydrophobicContact CE3-CD2 4.21Å; W74-F77 PolarHBondContact O-N 3.22Å; F77-L79 VanDerWaalsContact C-N 3.26Å; F77-L79 PolarHBondContact O-N 3.44Å; F77-C80 WeakPolarHBondContact O-CA 3.41Å; F77-C80 WeakPolarHBondContact O-CB 3.42Å; F77-C80 PolarHBondContact O-N 3.42Å; F77-D81 PolarHBondContact O-N 3.49Å; F77-Y137 HydrophobicContact CD1-CE1 4.27Å; F77-Y137 HydrophobicContact CE1-CE1 4.36Å; F77-Y137 HydrophobicContact CG-CE1 4.38Å; F77-T138 HydrophobicContact CD1-CG2 4.08Å; F77-T138 HydrophobicContact CE1-CG2 3.74Å; F77-W141 HydrophobicContact CE2-CB 4.49Å; F77-W141 HydrophobicContact CZ-CB 4.02Å; F77-W141 HydrophobicContact CZ-CG 4.31Å; F77-Y142 HydrophobicContact CD1-CE2 4.41Å; F77-Y142 HydrophobicContact CE1-CD2 4.06Å; F77-Y142 AromaticContact CE1-CE2 3.43Å; F77-Y142 HydrophobicContact CE1-CE2 3.43Å; F77-Y142 VanDerWaalsContact CE1-CE2 3.43Å; F77-Y142 HydrophobicContact CE2-CE2 4.49Å; F77-Y142 AromaticContact CZ-CD2 4Å; F77-Y142 HydrophobicContact CZ-CD2 4Å; F77-Y142 AromaticContact CZ-CE2 3.48Å; F77-Y142 HydrophobicContact CZ-CE2 3.48Å; F77-Y142 VanDerWaalsContact CZ-CE2 3.48Å
78I85.3Confident80.6Confident53 Ų5377 Ų7727%0.27234%0.343SS..Hα-helixtrans-57.5-41.2175.2-65165.7000111W54 W74 D81 I82W54-I78 HydrophobicContact CD2-CD1 3.95Å; W54-I78 HydrophobicContact CD2-CG1 3.7Å; W54-I78 HydrophobicContact CE3-CD1 3.87Å; W54-I78 HydrophobicContact CE3-CG1 4.13Å; W54-I78 HydrophobicContact CG-CD1 4.39Å; W54-I78 HydrophobicContact CG-CG1 3.96Å; W54-I78 HydrophobicContact CZ2-CG1 4.34Å; W54-I78 HydrophobicContact CZ3-CD1 4.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.48Å; W74-I78 PolarHBondContact O-N 2.94Å; I78-D81 PolarHBondContact O-N 2.86Å; I78-I82 HydrophobicContact CG2-CD1 3.9Å; I78-I82 HydrophobicContact CG2-CG1 4.47Å; I78-I82 VanDerWaalsContact O-CG1 3.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.39Å; I78-I82 PolarHBondContact O-N 3.35Å
79L87.8Confident82.4Confident123 Ų12370 Ų7064%0.64432%0.319SS*.Hα-helixtrans-65.7-38.5177.4-172.8128000112.3K75 G76 F77 F83K75-L79 WeakPolarHBondContact O-CB 3.46Å; K75-L79 PolarHBondContact O-N 3.31Å; G76-L79 PolarHBondContact O-N 3.41Å; F77-L79 VanDerWaalsContact C-N 3.26Å; F77-L79 PolarHBondContact O-N 3.44Å; L79-F83 WeakPolarHBondContact O-CB 3.41Å; L79-F83 PolarHBondContact O-N 2.96Å
80C89.8Confident84.1Confident14 Ų1468.5 Ų68.510%0.09532%0.319CS..Hα-helixtrans-62.9-43.5172.6-72.40000111.9G76 F77 F83 M84 V134 Y137G76-C80 PolarHBondContact O-N 2.92Å; G76-C80 PolarHBondContact O-SG 3.06Å; F77-C80 WeakPolarHBondContact O-CA 3.41Å; F77-C80 WeakPolarHBondContact O-CB 3.42Å; F77-C80 PolarHBondContact O-N 3.42Å; C80-F83 PolarHBondContact O-N 3.31Å; C80-M84 WeakPolarHBondContact O-CB 3.28Å; C80-M84 WeakPolarHBondContact O-CG 3.17Å; C80-M84 PolarHBondContact O-N 2.99Å; C80-V134 HydrophobicContact CB-CG1 3.86Å; C80-V134 HydrophobicContact CB-CG2 4.33Å; C80-Y137 WeakPolarHBondContact SG-CD1 3.44Å
81D90.2Very high85.7Confident23 Ų2364.6 Ų64.612%0.12331%0.305CS..Hα-helixtrans-64.2-44.7178.9-65.1-19000111V47 L51 W54 F77 I78 F83 M84 F85V47-D81 HydrophobicContact CG1-CB 4.38Å; V47-D81 WeakPolarHBondContact CG1-O 3.4Å; L51-D81 HydrophobicContact CD2-CB 3.79Å; L51-D81 HydrophobicContact CG-CB 4.15Å; W54-D81 PolarHBondContact NE1-OD2 2.92Å; F77-D81 PolarHBondContact O-N 3.49Å; I78-D81 PolarHBondContact O-N 2.86Å; D81-F83 VanDerWaalsContact C-N 3.33Å; D81-F83 PolarHBondContact O-N 3.34Å; D81-M84 PolarHBondContact O-N 3.04Å; D81-F85 WeakPolarHBondContact O-CB 3.44Å; D81-F85 PolarHBondContact O-N 2.73Å
82I91.5Very high87.3Confident78 Ų7862 Ų6240%0.429%0.292SS..Hα-helixtrans-60.1-44174.8-67.2167.6000110.9L51 I78 F85 F86L51-I82 HydrophobicContact CD2-CG1 3.9Å; I78-I82 HydrophobicContact CG2-CD1 3.9Å; I78-I82 HydrophobicContact CG2-CG1 4.47Å; I78-I82 VanDerWaalsContact O-CG1 3.27Å; I78-I82 WeakPolarHBondContact O-CG1 3.39Å; I78-I82 PolarHBondContact O-N 3.35Å; I82-F85 WeakPolarHBondContact O-CB 3.38Å; I82-F85 PolarHBondContact O-N 3.33Å; I82-F86 HydrophobicContact CG2-CD2 4.12Å; I82-F86 HydrophobicContact CG2-CE2 3.77Å; I82-F86 WeakPolarHBondContact O-CD2 3.31Å; I82-F86 PolarHBondContact O-N 3.42Å
83F93Very high88.6Confident109 Ų10956.6 Ų56.648%0.47828%0.277SS..Hα-helixtrans-64.4-44.7178.6-178.8-106.9000111.8L79 C80 D81 F85 F86 A87 A130 V134L79-F83 WeakPolarHBondContact O-CB 3.41Å; L79-F83 PolarHBondContact O-N 2.96Å; C80-F83 PolarHBondContact O-N 3.31Å; D81-F83 VanDerWaalsContact C-N 3.33Å; D81-F83 PolarHBondContact O-N 3.34Å; F83-F85 VanDerWaalsContact C-N 3.3Å; F83-F85 PolarHBondContact O-N 2.94Å; F83-F86 PolarHBondContact O-N 3.3Å; F83-A87 WeakPolarHBondContact O-CB 3.29Å; F83-A87 PolarHBondContact O-N 3.31Å; F83-A130 HydrophobicContact CE1-CB 3.51Å; F83-A130 HydrophobicContact CZ-CB 3.99Å; F83-V134 HydrophobicContact CD1-CG2 4.1Å
84M93.2Very high89.6Confident14 Ų1455.9 Ų55.97%0.06927%0.274CS..Hα-helixtrans-67.3-30.4177.1-73-59.1-70.900112.6V47 C80 D81 A87 N88 Y127 N131 V134V47-M84 HydrophobicContact CG2-CB 4.07Å; C80-M84 WeakPolarHBondContact O-CB 3.28Å; C80-M84 WeakPolarHBondContact O-CG 3.17Å; C80-M84 PolarHBondContact O-N 2.99Å; D81-M84 PolarHBondContact O-N 3.04Å; M84-A87 PolarHBondContact O-N 2.88Å; M84-N88 WeakPolarHBondContact O-CB 3.37Å; M84-N88 PolarHBondContact O-N 3.36Å; M84-N88 PolarHBondContact O-ND2 3.47Å; M84-Y127 HydrophobicContact CE-CE2 4.33Å; M84-N131 HydrophobicContact CE-CB 4.26Å; M84-N131 WeakPolarHBondContact CE-OD1 3.3Å; M84-V134 HydrophobicContact CG-CB 4.23Å; M84-V134 HydrophobicContact CG-CG1 3.97Å; M84-V134 HydrophobicContact CG-CG2 3.9Å; M84-V134 HydrophobicContact SD-CB 4.24Å; M84-V134 HydrophobicContact SD-CG2 3.95Å
85F93.9Very high90.6Very high49 Ų4952 Ų5222%0.21526%0.26CS..Hα-helixtrans-58.7-51.1173.8174.3-93.7000110.5W44 V47 V48 L51 D81 I82 F83 L89W44-F85 AromaticContact CE2-CE2 3.51Å; W44-F85 HydrophobicContact CH2-CE2 4.47Å; W44-F85 HydrophobicContact CZ2-CD2 4.36Å; W44-F85 AromaticContact CZ2-CE2 3.41Å; W44-F85 HydrophobicContact CZ2-CE2 3.41Å; W44-F85 VanDerWaalsContact CZ2-CE2 3.41Å; W44-F85 AromaticContact CZ2-CZ 3.83Å; W44-F85 HydrophobicContact CZ2-CZ 3.83Å; W44-F85 AromaticContact NE1-CD2 3.48Å; W44-F85 AromaticContact NE1-CE2 3.32Å; W44-F85 VanDerWaalsContact NE1-CE2 3.32Å; W44-F85 AromaticContact NE1-CZ 3.9Å; V47-F85 HydrophobicContact CG1-CB 3.76Å; V48-F85 HydrophobicContact CG2-CD2 3.81Å; V48-F85 HydrophobicContact CG2-CE2 3.61Å; L51-F85 HydrophobicContact CD1-CB 4.07Å; L51-F85 HydrophobicContact CD1-CD2 4.13Å; L51-F85 HydrophobicContact CD1-CG 4.22Å; D81-F85 WeakPolarHBondContact O-CB 3.44Å; D81-F85 PolarHBondContact O-N 2.73Å; I82-F85 WeakPolarHBondContact O-CB 3.38Å; I82-F85 PolarHBondContact O-N 3.33Å; F83-F85 VanDerWaalsContact C-N 3.3Å; F83-F85 PolarHBondContact O-N 2.94Å; F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.21Å; F85-L89 PolarHBondContact O-N 2.83Å
86F94.2Very high91.4Very high110 Ų11048.4 Ų48.448%0.48225%0.25SC..Hα-helixtrans-68.4-40.1177.6-69.9-65.3000112.5I82 F83 L89 I90I82-F86 HydrophobicContact CG2-CD2 4.12Å; I82-F86 HydrophobicContact CG2-CE2 3.77Å; I82-F86 WeakPolarHBondContact O-CD2 3.31Å; I82-F86 PolarHBondContact O-N 3.42Å; F83-F86 PolarHBondContact O-N 3.3Å; F86-L89 PolarHBondContact O-N 3.15Å; F86-I90 VanDerWaalsContact O-CG1 3.29Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.04Å
87A93.7Very high91.8Very high18 Ų1850.9 Ų50.915%0.14926%0.258CS..Hα-helixtrans-61.5-46.6179.400000111.9F83 M84 L91 Y127F83-A87 WeakPolarHBondContact O-CB 3.29Å; F83-A87 PolarHBondContact O-N 3.31Å; M84-A87 PolarHBondContact O-N 2.88Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 2.9Å; A87-Y127 HydrophobicContact CB-CD2 3.99Å; A87-Y127 HydrophobicContact CB-CE2 4.14Å
88N93.6Very high92Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-64.4-41.7175.4-81.5-69000111.8S43 W44 M84 L91 L92 Y127S43-N88 WeakPolarHBondContact CB-OD1 3.27Å; W44-N88 HydrophobicContact CB-CB 3.95Å; W44-N88 HydrophobicContact CG-CB 4.27Å; M84-N88 WeakPolarHBondContact O-CB 3.37Å; M84-N88 PolarHBondContact O-N 3.36Å; M84-N88 PolarHBondContact O-ND2 3.47Å; N88-L91 PolarHBondContact O-N 2.86Å; N88-L92 VanDerWaalsContact O-CB 3.29Å; N88-L92 WeakPolarHBondContact O-CB 3.31Å; N88-L92 PolarHBondContact O-N 3.45Å; N88-Y127 PolarHBondContact OD1-OH 3.41Å
89L94Very high92.3Very high58 Ų5849.1 Ų49.130%0.30425%0.25SS..Hα-helixtrans-61-47.1178.6-175.369.3000111.9F85 F86 L91 L92 I93F85-L89 VanDerWaalsContact O-CB 3.31Å; F85-L89 WeakPolarHBondContact O-CB 3.21Å; F85-L89 PolarHBondContact O-N 2.83Å; F86-L89 PolarHBondContact O-N 3.15Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 3.06Å; L89-L92 PolarHBondContact O-N 2.72Å; L89-I93 HydrophobicContact CD1-CD1 4.44Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 3.33Å
90I94.4Very high92.2Very high92 Ų9246.1 Ų46.147%0.47224%0.237SC..Hα-helixtrans-61.6-44.6177.4-68.4166.5000110.3F86 L92 I93 M94 I123F86-I90 VanDerWaalsContact O-CG1 3.29Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.04Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 2.83Å; I90-I93 PolarHBondContact O-N 2.85Å; I90-M94 WeakPolarHBondContact O-CB 3.45Å; I90-M94 WeakPolarHBondContact O-CG 3.44Å; I90-M94 PolarHBondContact O-N 3.29Å; I90-M94 VanDerWaalsContact O-N 3.08Å; I90-I123 HydrophobicContact CG2-CG2 4.22Å
91L93.8Very high92Very high4 Ų445.6 Ų45.62%0.02123%0.233CC..Hα-helixtrans-63.4-40.5179-179.561.3000112T36 A87 N88 L89 S95 I123 M124 Y127T36-L91 HydrophobicContact CG2-CD1 4.08Å; T36-L91 HydrophobicContact CG2-CD2 4Å; T36-L91 HydrophobicContact CG2-CG 4.15Å; A87-L91 WeakPolarHBondContact O-CB 3.46Å; A87-L91 PolarHBondContact O-N 2.9Å; N88-L91 PolarHBondContact O-N 2.86Å; L89-L91 VanDerWaalsContact C-N 3.34Å; L89-L91 PolarHBondContact O-N 3.06Å; L91-S95 VanDerWaalsContact O-CB 3.28Å; L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 3.39Å; L91-S95 PolarHBondContact O-OG 2.91Å; L91-I123 HydrophobicContact CD1-CG2 4.22Å; L91-M124 HydrophobicContact CD1-CG 4.07Å; L91-M124 HydrophobicContact CD1-SD 3.42Å; L91-M124 WeakPolarHBondContact CD1-SD 2.99Å; L91-M124 HydrophobicContact CD2-SD 4.1Å; L91-M124 HydrophobicContact CG-SD 4.38Å; L91-Y127 HydrophobicContact CB-CD2 4.23Å; L91-Y127 HydrophobicContact CD2-CD1 3.79Å; L91-Y127 HydrophobicContact CD2-CD2 3.82Å; L91-Y127 HydrophobicContact CD2-CE1 3.97Å; L91-Y127 HydrophobicContact CD2-CE2 4.01Å; L91-Y127 HydrophobicContact CD2-CG 3.73Å
92L94Very high91.7Very high46 Ų4644.8 Ų44.824%0.24123%0.229CC..Hα-helixtrans-65-49.7178.6-167.1161.7000110.8A41 N88 L89 I90 M94 S95 V96A41-L92 HydrophobicContact CB-CD1 3.99Å; N88-L92 VanDerWaalsContact O-CB 3.29Å; N88-L92 WeakPolarHBondContact O-CB 3.31Å; N88-L92 PolarHBondContact O-N 3.45Å; L89-L92 PolarHBondContact O-N 2.72Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 2.83Å; L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 3.13Å; L92-S95 PolarHBondContact O-N 2.92Å; L92-V96 HydrophobicContact CD2-CG2 3.94Å; L92-V96 WeakPolarHBondContact O-CG2 3.38Å; L92-V96 PolarHBondContact O-N 3.49Å
93I93.9Very high91.4Very high88 Ų8843.6 Ų43.645%0.45123%0.228SC..Hα-helixtrans-55.6-47.9177.6-69.2166.8000110.5L89 I90 S95 V96 I97L89-I93 HydrophobicContact CD1-CD1 4.44Å; L89-I93 HydrophobicContact CG-CD1 4.1Å; L89-I93 VanDerWaalsContact O-CG1 3.31Å; L89-I93 WeakPolarHBondContact O-CG1 3.5Å; L89-I93 PolarHBondContact O-N 3.33Å; I90-I93 PolarHBondContact O-N 2.85Å; I93-S95 PolarHBondContact O-N 3.31Å; I93-V96 PolarHBondContact O-N 3.06Å; I93-I97 HydrophobicContact CG2-CD1 3.93Å; I93-I97 WeakPolarHBondContact O-CG1 3.24Å; I93-I97 PolarHBondContact O-N 2.96Å
94M92.2Very high90.8Very high31 Ų3144.8 Ų44.815%0.15323%0.229CC..Hα-helixtrans-67.7-37.2-179.3-72.2-65.2-54.700112.7I90 L92 I97 V98 A119 I123I90-M94 WeakPolarHBondContact O-CB 3.45Å; I90-M94 WeakPolarHBondContact O-CG 3.44Å; I90-M94 PolarHBondContact O-N 3.29Å; I90-M94 VanDerWaalsContact O-N 3.08Å; L92-M94 VanDerWaalsContact C-N 3.31Å; L92-M94 PolarHBondContact O-N 3.13Å; M94-I97 PolarHBondContact O-N 2.94Å; M94-I97 HydrophobicContact SD-CD1 4.1Å; M94-V98 WeakPolarHBondContact O-CG2 3.39Å; M94-V98 PolarHBondContact O-N 3.49Å; M94-A119 HydrophobicContact CE-CB 4.05Å; M94-I123 HydrophobicContact CB-CD1 4.28Å; M94-I123 HydrophobicContact CE-CD1 3.83Å; M94-I123 HydrophobicContact CG-CD1 3.53Å; M94-I123 HydrophobicContact SD-CD1 4.05Å
95S92.5Very high89.7Confident0 Ų046.8 Ų46.80%024%0.243CC..Hα-helixtrans-65.1-40.5175.6-600000111.3T33 L91 L92 I93 V98 I99 W120T33-S95 WeakPolarHBondContact CG2-O 3.41Å; L91-S95 VanDerWaalsContact O-CB 3.28Å; L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 3.39Å; L91-S95 PolarHBondContact O-OG 2.91Å; L92-S95 PolarHBondContact O-N 2.92Å; I93-S95 PolarHBondContact O-N 3.31Å; S95-V98 PolarHBondContact O-N 2.9Å; S95-I99 WeakPolarHBondContact O-CB 3.34Å; S95-I99 WeakPolarHBondContact O-CD1 3.49Å; S95-I99 VanDerWaalsContact O-CG1 3.22Å; S95-I99 WeakPolarHBondContact O-CG1 3.36Å; S95-I99 PolarHBondContact O-N 3.27Å; S95-W120 PolarHBondContact OG-NE1 3.25Å
96V92.3Very high88.6Confident69 Ų6949.1 Ų49.142%0.41827%0.272SS..Hα-helixtrans-62.7-44.9174.2172.90000111.3L92 I93 V98 I99 V100L92-V96 HydrophobicContact CD2-CG2 3.94Å; L92-V96 WeakPolarHBondContact O-CG2 3.38Å; L92-V96 PolarHBondContact O-N 3.49Å; I93-V96 PolarHBondContact O-N 3.06Å; V96-V98 VanDerWaalsContact C-N 3.32Å; V96-V98 PolarHBondContact O-N 3.32Å; V96-I99 PolarHBondContact O-N 2.87Å; V96-V100 HydrophobicContact CG1-CG2 4.44Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.27Å
97I90.6Very high87.4Confident68 Ų6852.6 Ų52.635%0.34928%0.281SS..Hα-helixtrans-58-45.2176.8-68.4165.6000110.8I93 M94 V100 A101 Y116I93-I97 HydrophobicContact CG2-CD1 3.93Å; I93-I97 WeakPolarHBondContact O-CG1 3.24Å; I93-I97 PolarHBondContact O-N 2.96Å; M94-I97 PolarHBondContact O-N 2.94Å; M94-I97 HydrophobicContact SD-CD1 4.1Å; I97-V100 PolarHBondContact O-N 2.85Å; I97-A101 VanDerWaalsContact O-CB 3.32Å; I97-A101 WeakPolarHBondContact O-CB 3.32Å; I97-A101 PolarHBondContact O-N 3.32Å; I97-Y116 HydrophobicContact CG2-CD1 3.86Å; I97-Y116 HydrophobicContact CG2-CE1 4.07Å
98V88.8Confident85.8Confident0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-66.7-41.1178.51730000111.6T33 M94 S95 V96 V100 A101 I102 L117 W120T33-V98 HydrophobicContact CG2-CB 3.96Å; T33-V98 HydrophobicContact CG2-CG1 3.85Å; M94-V98 WeakPolarHBondContact O-CG2 3.39Å; M94-V98 PolarHBondContact O-N 3.49Å; S95-V98 PolarHBondContact O-N 2.9Å; V96-V98 VanDerWaalsContact C-N 3.32Å; V96-V98 PolarHBondContact O-N 3.32Å; V98-V100 PolarHBondContact O-N 3.27Å; V98-A101 PolarHBondContact O-N 3Å; V98-I102 HydrophobicContact CG1-CD1 3.65Å; V98-I102 HydrophobicContact CG1-CG1 4.24Å; V98-I102 WeakPolarHBondContact O-CB 3.49Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 2.97Å; V98-L117 HydrophobicContact CG1-CD2 3.97Å; V98-W120 HydrophobicContact CG2-CB 3.77Å; V98-W120 HydrophobicContact CG2-CG 3.92Å
99I90Very high84.3Confident37 Ų3764.5 Ų64.519%0.1932%0.323CS..Hα-helixtrans-59-46.9175.2-71.5163.8000110.7F30 T33 I34 A37 S95 V96 I102 S103F30-I99 HydrophobicContact CE2-CG2 4.19Å; T33-I99 HydrophobicContact CG2-CD1 4.2Å; T33-I99 HydrophobicContact CG2-CG1 3.69Å; I34-I99 HydrophobicContact CG1-CD1 4.12Å; I34-I99 HydrophobicContact CG1-CG1 4.27Å; A37-I99 HydrophobicContact CB-CD1 3.91Å; S95-I99 WeakPolarHBondContact O-CB 3.34Å; S95-I99 WeakPolarHBondContact O-CD1 3.49Å; S95-I99 VanDerWaalsContact O-CG1 3.22Å; S95-I99 WeakPolarHBondContact O-CG1 3.36Å; S95-I99 PolarHBondContact O-N 3.27Å; V96-I99 PolarHBondContact O-N 2.87Å; I99-I102 PolarHBondContact O-N 3.42Å; I99-S103 VanDerWaalsContact O-CB 3.26Å; I99-S103 WeakPolarHBondContact O-CB 3.42Å; I99-S103 PolarHBondContact O-N 2.82Å; I99-S103 PolarHBondContact O-OG 2.91Å
100V87.6Confident82.7Confident60 Ų6067.5 Ų67.536%0.36434%0.339SS..Hα-helixtrans-63.3-44.1177.3173.20000110.9V96 I97 V98 I102 S103 W104V96-V100 HydrophobicContact CG1-CG2 4.44Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.27Å; I97-V100 PolarHBondContact O-N 2.85Å; V98-V100 PolarHBondContact O-N 3.27Å; V100-I102 VanDerWaalsContact C-N 3.34Å; V100-I102 PolarHBondContact O-N 3.36Å; V100-S103 PolarHBondContact O-N 2.94Å; V100-W104 HydrophobicContact CG1-CE3 4.38Å; V100-W104 PolarHBondContact O-N 3.06Å; V100-W104 VanDerWaalsContact O-N 3.15Å
101A85.1Confident81Confident3 Ų373.1 Ų73.13%0.02536%0.356CS..Hα-helixtrans-63.1-38.7179.200000112.4I97 V98 Y108 L113I97-A101 VanDerWaalsContact O-CB 3.32Å; I97-A101 WeakPolarHBondContact O-CB 3.32Å; I97-A101 PolarHBondContact O-N 3.32Å; V98-A101 PolarHBondContact O-N 3Å; A101-Y108 HydrophobicContact CB-CD2 4.29Å; A101-Y108 HydrophobicContact CB-CG 4.32Å; A101-L113 HydrophobicContact CB-CD1 3.63Å
102I84.1Confident79.9Confident6 Ų678.8 Ų78.83%0.03138%0.382CS..Hα-helixtrans-72.5-37.4176.1-65.7170.4000111.1R26 F30 V98 I99 V100 W104 L113R26-I102 HydrophobicContact CG-CG2 4.2Å; R26-I102 PolarHBondContact NH2-O 3.09Å; F30-I102 HydrophobicContact CB-CG2 4.12Å; F30-I102 HydrophobicContact CD2-CB 4Å; F30-I102 HydrophobicContact CD2-CD1 4.41Å; F30-I102 HydrophobicContact CD2-CG2 3.54Å; F30-I102 HydrophobicContact CE2-CG2 4.29Å; F30-I102 HydrophobicContact CG-CG2 4.14Å; V98-I102 HydrophobicContact CG1-CD1 3.65Å; V98-I102 HydrophobicContact CG1-CG1 4.24Å; V98-I102 WeakPolarHBondContact O-CB 3.49Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 2.97Å; I99-I102 PolarHBondContact O-N 3.42Å; V100-I102 VanDerWaalsContact C-N 3.34Å; V100-I102 PolarHBondContact O-N 3.36Å; I102-W104 VanDerWaalsContact C-N 3.31Å; I102-W104 PolarHBondContact O-N 2.81Å; I102-L113 HydrophobicContact CG1-CD1 4.22Å; I102-L113 HydrophobicContact CG1-CD2 4.37Å
103S83.7Confident79Confident53 Ų5377.1 Ų77.137%0.37137%0.373SS..Hα-helixtrans-70.8-22.3-177.2-59.20000113.7I99 V100 P105I99-S103 VanDerWaalsContact O-CB 3.26Å; I99-S103 WeakPolarHBondContact O-CB 3.42Å; I99-S103 PolarHBondContact O-N 2.82Å; I99-S103 PolarHBondContact O-OG 2.91Å; V100-S103 PolarHBondContact O-N 2.94Å; S103-P105 VanDerWaalsContact C-CD 3.41Å; S103-P105 WeakPolarHBondContact O-CD 3.28Å
104W80.9Confident78.4Confident135 Ų13580.6 Ų80.651%0.51139%0.385SS..  trans-111.673.5178.8-78.1-3.5000113.2V100 I102 A106 R107 Y108V100-W104 HydrophobicContact CG1-CE3 4.38Å; V100-W104 PolarHBondContact O-N 3.06Å; V100-W104 VanDerWaalsContact O-N 3.15Å; I102-W104 VanDerWaalsContact C-N 3.31Å; I102-W104 PolarHBondContact O-N 2.81Å; W104-A106 PolarHBondContact O-N 3.22Å; W104-A106 VanDerWaalsContact O-N 3.15Å; W104-R107 PolarHBondContact O-N 3.24Å; W104-Y108 HydrophobicContact CB-CD2 4.25Å; W104-Y108 PolarHBondContact O-N 2.67Å; W104-Y108 VanDerWaalsContact O-N 3.09Å
105P71.1Confident78.1Confident55 Ų5583.4 Ų83.436%0.35741%0.407SS..THydrogen-bonded Turntrans-61.7-24177.626.6-34.5000113.4W3 S103W3-P105 HydrophobicContact CH2-CB 3.62Å; W3-P105 HydrophobicContact CH2-CG 3.45Å; W3-P105 VanDerWaalsContact CH2-CG 3.45Å; W3-P105 HydrophobicContact CZ2-CG 4.16Å; W3-P105 HydrophobicContact CZ3-CB 3.82Å; W3-P105 HydrophobicContact CZ3-CG 4.02Å; S103-P105 VanDerWaalsContact C-CD 3.41Å; S103-P105 WeakPolarHBondContact O-CD 3.28Å
106A70.3Confident77.7Confident99 Ų9988.1 Ų88.182%0.81843%0.426SS*.THydrogen-bonded Turntrans-68.6-35-179.800000112.9W104W104-A106 PolarHBondContact O-N 3.22Å; W104-A106 VanDerWaalsContact O-N 3.15Å
107R68.9Low77.4Confident182 Ų18287 Ų8769%0.68742%0.417SS*.THydrogen-bonded Turntrans-93.1-39.1178.6-82.9-176.4175.1167-3.7112.4W104W104-R107 PolarHBondContact O-N 3.24Å
108Y60.5Low77.3Confident72 Ų7292.8 Ų92.828%0.28244%0.435SS..  trans-102.688.1-176.4-63.3-80.1000110.7A101 W104 H112A101-Y108 HydrophobicContact CB-CD2 4.29Å; A101-Y108 HydrophobicContact CB-CG 4.32Å; W104-Y108 HydrophobicContact CB-CD2 4.25Å; W104-Y108 PolarHBondContact O-N 2.67Å; W104-Y108 VanDerWaalsContact O-N 3.09Å; Y108-H112 HydrophobicContact CD1-CB 4.45Å
109R61.1Low77.4Confident196 Ų19694.6 Ų94.674%0.7445%0.449SS*.  trans-60.7147.5165.3-72.6-173.8-175.8176.22.5109.2Y111 H112R109-Y111 PolarHBondContact O-N 3.42Å; R109-H112 PolarHBondContact O-N 3.3Å
110L60.4Low77.4Confident122 Ų12293.6 Ų93.664%0.63944%0.443SS*.Hα-helixtrans-43.7-34.1-175.6-83.4133.8000114.8H112 L113 K114L110-H112 PolarHBondContact O-N 2.75Å; L110-L113 PolarHBondContact O-N 2.86Å; L110-K114 PolarHBondContact O-N 3.06Å
111Y59.3Low77.5Confident209 Ų20993.7 Ų93.782%0.8245%0.446SS*.Hα-helixtrans-64.4-36.4178.7-67.9-74.2000114R109R109-Y111 PolarHBondContact O-N 3.42Å
112H71.4Confident77.9Confident124 Ų12497.7 Ų97.757%0.57447%0.466SS*.Hα-helixtrans-78.1-29.5177.1-66.4-74.1000112Y108 R109 L110 K114 Y116Y108-H112 HydrophobicContact CD1-CB 4.45Å; R109-H112 PolarHBondContact O-N 3.3Å; L110-H112 PolarHBondContact O-N 2.75Å; H112-K114 VanDerWaalsContact C-N 3.32Å; H112-K114 PolarHBondContact O-N 3.19Å; H112-Y116 VanDerWaalsContact O-CD2 3.23Å; H112-Y116 WeakPolarHBondContact O-CD2 3.4Å
113L75.3Confident78.3Confident11 Ų1199.1 Ų99.16%0.05847%0.474CS..Hα-helixtrans-68.7-29.4-179.4-171.965.9000112.8A101 I102 L110 S115 Y116 L117A101-L113 HydrophobicContact CB-CD1 3.63Å; I102-L113 HydrophobicContact CG1-CD1 4.22Å; I102-L113 HydrophobicContact CG1-CD2 4.37Å; L110-L113 PolarHBondContact O-N 2.86Å; L113-S115 PolarHBondContact O-N 3.32Å; L113-Y116 PolarHBondContact O-N 3.49Å; L113-L117 HydrophobicContact CD1-CG 4.37Å; L113-L117 HydrophobicContact CD2-CD1 3.89Å; L113-L117 HydrophobicContact CG-CD1 3.68Å; L113-L117 HydrophobicContact CG-CG 3.99Å; L113-L117 PolarHBondContact O-N 3.36Å
114K80.1Confident78.7Confident161 Ų16198.3 Ų98.370%0.746%0.464SS*.Hα-helixtrans-57.3-42.7-174.6-172.1177.4180-179.20113.2L110 H112 R118L110-K114 PolarHBondContact O-N 3.06Å; H112-K114 VanDerWaalsContact C-N 3.32Å; H112-K114 PolarHBondContact O-N 3.19Å; K114-R118 WeakPolarHBondContact O-CB 3.15Å; K114-R118 PolarHBondContact O-N 2.92Å
115S85.6Confident79.3Confident89 Ų8997 Ų9762%0.62247%0.466SS*.Hα-helixtrans-69.4-40.5-179.5-61.10000112.2L113 R118 A119L113-S115 PolarHBondContact O-N 3.32Å; S115-R118 PolarHBondContact O-N 3.43Å; S115-A119 WeakPolarHBondContact O-CB 3.47Å; S115-A119 PolarHBondContact O-N 3.08Å
116Y85.3Confident80.4Confident99 Ų9999.5 Ų99.539%0.38848%0.476SS..Hα-helixtrans-64.7-43.4176.6-68-77.8000112.1I97 H112 L113 A119 W120I97-Y116 HydrophobicContact CG2-CD1 3.86Å; I97-Y116 HydrophobicContact CG2-CE1 4.07Å; H112-Y116 VanDerWaalsContact O-CD2 3.23Å; H112-Y116 WeakPolarHBondContact O-CD2 3.4Å; L113-Y116 PolarHBondContact O-N 3.49Å; Y116-A119 PolarHBondContact O-N 3.45Å; Y116-W120 WeakPolarHBondContact O-CB 3.27Å; Y116-W120 PolarHBondContact O-N 3.21Å
117L85.7Confident81.5Confident45 Ų4595.9 Ų95.924%0.23644%0.441CS..Hα-helixtrans-62.8-42.4175.7-74.5171.3000111.8C29 V98 L113 W120 C121C29-L117 WeakPolarHBondContact SG-CD2 3.26Å; V98-L117 HydrophobicContact CG1-CD2 3.97Å; L113-L117 HydrophobicContact CD1-CG 4.37Å; L113-L117 HydrophobicContact CD2-CD1 3.89Å; L113-L117 HydrophobicContact CG-CD1 3.68Å; L113-L117 HydrophobicContact CG-CG 3.99Å; L113-L117 PolarHBondContact O-N 3.36Å; L117-W120 PolarHBondContact O-N 3.01Å; L117-C121 PolarHBondContact O-N 2.93Å; L117-C121 PolarHBondContact O-SG 2.88Å; L117-C121 VanDerWaalsContact O-SG 3.38Å
118R88.3Confident82.6Confident191 Ų19192.1 Ų92.172%0.72143%0.431SS*.Hα-helixtrans-61.8-44.9176.1-172.8179.9-177.9-176.30.8111.4K114 S115 C121 I122K114-R118 WeakPolarHBondContact O-CB 3.15Å; K114-R118 PolarHBondContact O-N 2.92Å; S115-R118 PolarHBondContact O-N 3.43Å; R118-C121 PolarHBondContact O-N 3.38Å; R118-I122 HydrophobicContact CG-CD1 4.13Å; R118-I122 VanDerWaalsContact O-CG1 3.3Å; R118-I122 WeakPolarHBondContact O-CG1 3.13Å; R118-I122 PolarHBondContact O-N 3.28Å; R118-I122 VanDerWaalsContact O-N 3.08Å
119A90.1Very high84.2Confident37 Ų3793.9 Ų93.931%0.30645%0.445SS..Hα-helixtrans-61.8-44.6176.800000111.4M94 S115 Y116 C121 I122 I123M94-A119 HydrophobicContact CE-CB 4.05Å; S115-A119 WeakPolarHBondContact O-CB 3.47Å; S115-A119 PolarHBondContact O-N 3.08Å; Y116-A119 PolarHBondContact O-N 3.45Å; A119-C121 PolarHBondContact O-N 3.23Å; A119-I122 PolarHBondContact O-N 3.23Å; A119-I123 VanDerWaalsContact O-CG1 3.26Å; A119-I123 WeakPolarHBondContact O-CG1 3.35Å; A119-I123 PolarHBondContact O-N 3.33Å
120W90Very high85.7Confident16 Ų1685.3 Ų85.36%0.06142%0.416CS..Hα-helixtrans-61.3-43.6177-178.581.1000112.4T33 T36 S95 V98 Y116 L117 I122 I123 M124T33-W120 HydrophobicContact CG2-CZ2 4.26Å; T36-W120 HydrophobicContact CG2-CZ2 4.2Å; S95-W120 PolarHBondContact OG-NE1 3.25Å; V98-W120 HydrophobicContact CG2-CB 3.77Å; V98-W120 HydrophobicContact CG2-CG 3.92Å; Y116-W120 WeakPolarHBondContact O-CB 3.27Å; Y116-W120 PolarHBondContact O-N 3.21Å; L117-W120 PolarHBondContact O-N 3.01Å; W120-I122 PolarHBondContact O-N 3.33Å; W120-I123 PolarHBondContact O-N 3.04Å; W120-M124 HydrophobicContact CD2-CG 4.11Å; W120-M124 HydrophobicContact CE3-CG 4.43Å; W120-M124 HydrophobicContact CH2-CE 4.48Å; W120-M124 HydrophobicContact CH2-CG 4.27Å; W120-M124 HydrophobicContact CZ2-CE 4.32Å; W120-M124 HydrophobicContact CZ2-CG 3.93Å; W120-M124 HydrophobicContact CZ2-SD 4.25Å; W120-M124 WeakPolarHBondContact O-CB 3.19Å; W120-M124 WeakPolarHBondContact O-CG 3.49Å; W120-M124 PolarHBondContact O-N 3.2Å
121C90.6Very high87.2Confident63 Ų6382.6 Ų82.643%0.42640%0.402SS..Hα-helixtrans-59.2-43.2173.5-740000112.8L117 R118 A119 M124 I125L117-C121 PolarHBondContact O-N 2.93Å; L117-C121 PolarHBondContact O-SG 2.88Å; L117-C121 VanDerWaalsContact O-SG 3.38Å; R118-C121 PolarHBondContact O-N 3.38Å; A119-C121 PolarHBondContact O-N 3.23Å; C121-M124 PolarHBondContact O-N 3.27Å; C121-I125 WeakPolarHBondContact O-CG1 3.38Å; C121-I125 PolarHBondContact O-N 3.38Å
122I93.4Very high88.7Confident86 Ų8678.3 Ų78.344%0.44139%0.393SS..Hα-helixtrans-63.7-45.7178.5-68.2164.7000110.3R118 A119 W120 M124 I125 L126R118-I122 HydrophobicContact CG-CD1 4.13Å; R118-I122 VanDerWaalsContact O-CG1 3.3Å; R118-I122 WeakPolarHBondContact O-CG1 3.13Å; R118-I122 PolarHBondContact O-N 3.28Å; R118-I122 VanDerWaalsContact O-N 3.08Å; A119-I122 PolarHBondContact O-N 3.23Å; W120-I122 PolarHBondContact O-N 3.33Å; I122-M124 VanDerWaalsContact C-N 3.33Å; I122-M124 PolarHBondContact O-N 3.12Å; I122-I125 PolarHBondContact O-N 3.39Å; I122-L126 HydrophobicContact CG2-CD1 4.07Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 3.38Å
123I93.4Very high89.6Confident37 Ų3774.4 Ų74.419%0.1939%0.386CS..Hα-helixtrans-64.4-39.7179.6-68.2168.3000110.9I90 L91 M94 A119 W120 I125 L126 Y127I90-I123 HydrophobicContact CG2-CG2 4.22Å; L91-I123 HydrophobicContact CD1-CG2 4.22Å; M94-I123 HydrophobicContact CB-CD1 4.28Å; M94-I123 HydrophobicContact CE-CD1 3.83Å; M94-I123 HydrophobicContact CG-CD1 3.53Å; M94-I123 HydrophobicContact SD-CD1 4.05Å; A119-I123 VanDerWaalsContact O-CG1 3.26Å; A119-I123 WeakPolarHBondContact O-CG1 3.35Å; A119-I123 PolarHBondContact O-N 3.33Å; W120-I123 PolarHBondContact O-N 3.04Å; I123-I125 PolarHBondContact O-N 3.03Å; I123-L126 PolarHBondContact O-N 3.34Å; I123-Y127 VanDerWaalsContact O-CB 3.27Å; I123-Y127 WeakPolarHBondContact O-CB 3.31Å; I123-Y127 PolarHBondContact O-N 2.95Å
124M91.8Very high90.2Very high35 Ų3574.9 Ų74.917%0.17239%0.389CS..Hα-helixtrans-58.8-46.1173.2-80.6-68.5-80.600112.2T36 L91 W120 C121 I122 Y127 Q128T36-M124 HydrophobicContact CG2-CE 3.81Å; T36-M124 HydrophobicContact CG2-SD 3.5Å; T36-M124 VanDerWaalsContact CG2-SD 3.5Å; L91-M124 HydrophobicContact CD1-CG 4.07Å; L91-M124 HydrophobicContact CD1-SD 3.42Å; L91-M124 WeakPolarHBondContact CD1-SD 2.99Å; L91-M124 HydrophobicContact CD2-SD 4.1Å; L91-M124 HydrophobicContact CG-SD 4.38Å; W120-M124 HydrophobicContact CD2-CG 4.11Å; W120-M124 HydrophobicContact CE3-CG 4.43Å; W120-M124 HydrophobicContact CH2-CE 4.48Å; W120-M124 HydrophobicContact CH2-CG 4.27Å; W120-M124 HydrophobicContact CZ2-CE 4.32Å; W120-M124 HydrophobicContact CZ2-CG 3.93Å; W120-M124 HydrophobicContact CZ2-SD 4.25Å; W120-M124 WeakPolarHBondContact O-CB 3.19Å; W120-M124 WeakPolarHBondContact O-CG 3.49Å; W120-M124 PolarHBondContact O-N 3.2Å; C121-M124 PolarHBondContact O-N 3.27Å; I122-M124 VanDerWaalsContact C-N 3.33Å; I122-M124 PolarHBondContact O-N 3.12Å; M124-Y127 PolarHBondContact O-N 2.99Å; M124-Q128 VanDerWaalsContact O-CG 3.31Å; M124-Q128 WeakPolarHBondContact O-CG 3.32Å; M124-Q128 PolarHBondContact O-N 2.99Å
125I93.1Very high90.6Very high108 Ų10868.1 Ų68.155%0.55437%0.365SS*.Hα-helixtrans-62.6-46.1177.9-67.8165.9000110.7C121 I122 I123 Y127 Q128 I129C121-I125 WeakPolarHBondContact O-CG1 3.38Å; C121-I125 PolarHBondContact O-N 3.38Å; I122-I125 PolarHBondContact O-N 3.39Å; I123-I125 PolarHBondContact O-N 3.03Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.42Å; I125-Q128 PolarHBondContact O-N 3.32Å; I125-I129 HydrophobicContact CG2-CD1 4.19Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 2.99Å; I125-I129 VanDerWaalsContact O-N 3.12Å
126L93.9Very high90.6Very high107 Ų10768.3 Ų68.356%0.5636%0.362SS*.Hα-helixtrans-61.9-41.6177.6-69.6173.1000112I122 I123 Q128 I129 A130I122-L126 HydrophobicContact CG2-CD1 4.07Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 3.38Å; I123-L126 PolarHBondContact O-N 3.34Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-Q128 PolarHBondContact O-N 3.49Å; L126-I129 PolarHBondContact O-N 2.91Å; L126-A130 WeakPolarHBondContact O-CB 2.95Å; L126-A130 PolarHBondContact O-N 3.22Å
127Y93.6Very high90.6Very high24 Ų2466.4 Ų66.49%0.09436%0.355CS..Hα-helixtrans-61.2-42.1175.7178.3-90.1000111.7M84 A87 N88 L91 I123 M124 I125 I129 A130 N131M84-Y127 HydrophobicContact CE-CE2 4.33Å; A87-Y127 HydrophobicContact CB-CD2 3.99Å; A87-Y127 HydrophobicContact CB-CE2 4.14Å; N88-Y127 PolarHBondContact OD1-OH 3.41Å; L91-Y127 HydrophobicContact CB-CD2 4.23Å; L91-Y127 HydrophobicContact CD2-CD1 3.79Å; L91-Y127 HydrophobicContact CD2-CD2 3.82Å; L91-Y127 HydrophobicContact CD2-CE1 3.97Å; L91-Y127 HydrophobicContact CD2-CE2 4.01Å; L91-Y127 HydrophobicContact CD2-CG 3.73Å; I123-Y127 VanDerWaalsContact O-CB 3.27Å; I123-Y127 WeakPolarHBondContact O-CB 3.31Å; I123-Y127 PolarHBondContact O-N 2.95Å; M124-Y127 PolarHBondContact O-N 2.99Å; I125-Y127 VanDerWaalsContact C-N 3.33Å; I125-Y127 PolarHBondContact O-N 3.42Å; Y127-I129 VanDerWaalsContact C-N 3.35Å; Y127-I129 PolarHBondContact O-N 3.3Å; Y127-A130 WeakPolarHBondContact O-CB 3.21Å; Y127-A130 PolarHBondContact O-N 3.41Å; Y127-N131 HydrophobicContact CE1-CB 4.3Å; Y127-N131 VanDerWaalsContact O-CB 3.28Å; Y127-N131 WeakPolarHBondContact O-CB 3.2Å; Y127-N131 PolarHBondContact O-N 2.84Å
128Q92.8Very high90.4Very high102 Ų10265.9 Ų65.948%0.47735%0.354SS..Hα-helixtrans-64.6-38.6177.3-68-63.2-8.200112.3M124 I125 L126 N131 L132M124-Q128 VanDerWaalsContact O-CG 3.31Å; M124-Q128 WeakPolarHBondContact O-CG 3.32Å; M124-Q128 PolarHBondContact O-N 2.99Å; I125-Q128 PolarHBondContact O-N 3.32Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-Q128 PolarHBondContact O-N 3.49Å; Q128-N131 PolarHBondContact O-N 3.36Å; Q128-L132 VanDerWaalsContact O-CB 3.26Å; Q128-L132 WeakPolarHBondContact O-CB 3.41Å; Q128-L132 PolarHBondContact O-N 3.41Å
129I93.7Very high90Very high109 Ų10965 Ų6556%0.55935%0.352SS*.Hα-helixtrans-64.9-44.9174.9-65.1167000110.6I125 L126 Y127 L132 G133I125-I129 HydrophobicContact CG2-CD1 4.19Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 2.99Å; I125-I129 VanDerWaalsContact O-N 3.12Å; L126-I129 PolarHBondContact O-N 2.91Å; Y127-I129 VanDerWaalsContact C-N 3.35Å; Y127-I129 PolarHBondContact O-N 3.3Å; I129-L132 PolarHBondContact O-N 3.07Å; I129-G133 PolarHBondContact O-N 2.96Å
130A92.8Very high89.5Confident17 Ų1765.8 Ų65.814%0.1436%0.355CS..Hα-helixtrans-58.3-49.9175.300000111.8F83 L126 Y127 L132 G133 V134F83-A130 HydrophobicContact CE1-CB 3.51Å; F83-A130 HydrophobicContact CZ-CB 3.99Å; L126-A130 WeakPolarHBondContact O-CB 2.95Å; L126-A130 PolarHBondContact O-N 3.22Å; Y127-A130 WeakPolarHBondContact O-CB 3.21Å; Y127-A130 PolarHBondContact O-N 3.41Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.39Å; A130-G133 PolarHBondContact O-N 3.08Å; A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 2.86Å
131N90.5Very high88.6Confident65 Ų6569.3 Ų69.335%0.34837%0.368SS..Hα-helixtrans-62.9-39.8178.9-170.539.4000111.8M84 Y127 Q128 G135M84-N131 HydrophobicContact CE-CB 4.26Å; M84-N131 WeakPolarHBondContact CE-OD1 3.3Å; Y127-N131 HydrophobicContact CE1-CB 4.3Å; Y127-N131 VanDerWaalsContact O-CB 3.28Å; Y127-N131 WeakPolarHBondContact O-CB 3.2Å; Y127-N131 PolarHBondContact O-N 2.84Å; Q128-N131 PolarHBondContact O-N 3.36Å; N131-G135 PolarHBondContact O-N 3.21Å
132L91.2Very high87.5Confident119 Ų11972.5 Ų72.562%0.62337%0.372SS*.Hα-helixtrans-63.1-45.4173.5-177.368.1000111.3Q128 I129 A130 G135 V136Q128-L132 VanDerWaalsContact O-CB 3.26Å; Q128-L132 WeakPolarHBondContact O-CB 3.41Å; Q128-L132 PolarHBondContact O-N 3.41Å; I129-L132 PolarHBondContact O-N 3.07Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.39Å; L132-G135 PolarHBondContact O-N 2.78Å; L132-V136 HydrophobicContact CD1-CG2 4.41Å; L132-V136 HydrophobicContact CG-CG2 4.5Å; L132-V136 WeakPolarHBondContact O-CB 3.35Å; L132-V136 VanDerWaalsContact O-CG2 3.27Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.76Å
133G90.2Very high86Confident42 Ų4269.2 Ų69.243%0.43336%0.36SS..Hα-helixtrans-61.9-45.7179.100000112.7I129 A130 V136 Y137I129-G133 PolarHBondContact O-N 2.96Å; A130-G133 PolarHBondContact O-N 3.08Å; G133-V136 PolarHBondContact O-N 3.08Å; G133-Y137 PolarHBondContact O-N 3.45Å
134V89.3Confident84.5Confident20 Ų2073.4 Ų73.412%0.12138%0.382CS..Hα-helixtrans-65.3-43.8175.2173.70000110.6C80 F83 M84 A130 V136 Y137 T138C80-V134 HydrophobicContact CB-CG1 3.86Å; C80-V134 HydrophobicContact CB-CG2 4.33Å; F83-V134 HydrophobicContact CD1-CG2 4.1Å; M84-V134 HydrophobicContact CG-CB 4.23Å; M84-V134 HydrophobicContact CG-CG1 3.97Å; M84-V134 HydrophobicContact CG-CG2 3.9Å; M84-V134 HydrophobicContact SD-CB 4.24Å; M84-V134 HydrophobicContact SD-CG2 3.95Å; A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 2.86Å; V134-V136 PolarHBondContact O-N 3.17Å; V134-Y137 WeakPolarHBondContact O-CB 3.46Å; V134-Y137 PolarHBondContact O-N 2.92Å; V134-Y137 VanDerWaalsContact O-N 3.15Å; V134-T138 HydrophobicContact CG1-CG2 4.19Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 2.99Å; V134-T138 PolarHBondContact O-OG1 2.94Å
135G87Confident83.1Confident19 Ų1974.5 Ų74.520%0.19640%0.396CS..Hα-helixtrans-58.6-4617600000112.7N131 L132 Y137 T138 Y139N131-G135 PolarHBondContact O-N 3.21Å; L132-G135 PolarHBondContact O-N 2.78Å; G135-Y137 VanDerWaalsContact C-N 3.3Å; G135-Y137 PolarHBondContact O-N 3.38Å; G135-T138 PolarHBondContact O-N 3.32Å; G135-T138 PolarHBondContact O-OG1 3.5Å; G135-T138 VanDerWaalsContact O-OG1 3.06Å; G135-Y139 VanDerWaalsContact O-CB 3.31Å; G135-Y139 WeakPolarHBondContact O-CB 3.46Å; G135-Y139 WeakPolarHBondContact O-CD2 3.34Å; G135-Y139 PolarHBondContact O-N 3.34Å
136V86.5Confident81.5Confident93 Ų9372.2 Ų72.256%0.56439%0.394SS*.Hα-helixtrans-61.4-41.9175.7171.20000110.7L132 G133 V134 S140L132-V136 HydrophobicContact CD1-CG2 4.41Å; L132-V136 HydrophobicContact CG-CG2 4.5Å; L132-V136 WeakPolarHBondContact O-CB 3.35Å; L132-V136 VanDerWaalsContact O-CG2 3.27Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.76Å; G133-V136 PolarHBondContact O-N 3.08Å; V134-V136 PolarHBondContact O-N 3.17Å; V136-S140 WeakPolarHBondContact O-CB 3.23Å; V136-S140 PolarHBondContact O-N 3.35Å; V136-S140 PolarHBondContact O-OG 2.9Å
137Y84.9Confident80Confident59 Ų5976.5 Ų76.523%0.23140%0.403CS..Hα-helixtrans-61.3-52.4175.9178.9-97.5000111.5F73 G76 F77 C80 G133 V134 G135 S140 W141F73-Y137 PolarHBondContact O-OH 3.11Å; G76-Y137 WeakPolarHBondContact CA-OH 3.28Å; F77-Y137 HydrophobicContact CD1-CE1 4.27Å; F77-Y137 HydrophobicContact CE1-CE1 4.36Å; F77-Y137 HydrophobicContact CG-CE1 4.38Å; C80-Y137 WeakPolarHBondContact SG-CD1 3.44Å; G133-Y137 PolarHBondContact O-N 3.45Å; V134-Y137 WeakPolarHBondContact O-CB 3.46Å; V134-Y137 PolarHBondContact O-N 2.92Å; V134-Y137 VanDerWaalsContact O-N 3.15Å; G135-Y137 VanDerWaalsContact C-N 3.3Å; G135-Y137 PolarHBondContact O-N 3.38Å; Y137-S140 PolarHBondContact O-N 3.32Å; Y137-S140 PolarHBondContact O-OG 3.4Å; Y137-W141 AromaticContact CD2-NE1 3.76Å; Y137-W141 AromaticContact CE2-NE1 3.34Å; Y137-W141 VanDerWaalsContact CE2-NE1 3.34Å; Y137-W141 AromaticContact CZ-CD1 3.94Å; Y137-W141 AromaticContact CZ-NE1 3.55Å
138T82.3Confident78.8Confident35 Ų3580.5 Ų80.522%0.21543%0.425CS..Hα-helixtrans-63.7-46.2-178.459.20000111.9F77 V134 G135 S140 W141 Y142F77-T138 HydrophobicContact CD1-CG2 4.08Å; F77-T138 HydrophobicContact CE1-CG2 3.74Å; V134-T138 HydrophobicContact CG1-CG2 4.19Å; V134-T138 WeakPolarHBondContact O-CG2 3.34Å; V134-T138 PolarHBondContact O-N 2.99Å; V134-T138 PolarHBondContact O-OG1 2.94Å; G135-T138 PolarHBondContact O-N 3.32Å; G135-T138 PolarHBondContact O-OG1 3.5Å; G135-T138 VanDerWaalsContact O-OG1 3.06Å; T138-S140 VanDerWaalsContact C-N 3.33Å; T138-S140 PolarHBondContact O-N 3.44Å; T138-W141 PolarHBondContact O-N 3Å; T138-Y142 WeakPolarHBondContact O-CD2 3.22Å; T138-Y142 PolarHBondContact O-N 2.88Å
139Y79.2Confident77.4Confident173 Ų17383.9 Ų83.968%0.67843%0.434SS*.Hα-helixtrans-67.9-28.1177.9-81-69.5000113.4G135 W141 G143G135-Y139 VanDerWaalsContact O-CB 3.31Å; G135-Y139 WeakPolarHBondContact O-CB 3.46Å; G135-Y139 WeakPolarHBondContact O-CD2 3.34Å; G135-Y139 PolarHBondContact O-N 3.34Å; Y139-W141 PolarHBondContact O-N 3.33Å; Y139-G143 WeakPolarHBondContact O-CA 3.32Å; Y139-G143 PolarHBondContact O-N 2.98Å
140S79.1Confident76.3Confident53 Ų5381.7 Ų81.737%0.37143%0.427SS..Hα-helixtrans-61.7-28.817570.60000112.4V136 Y137 T138 L144V136-S140 WeakPolarHBondContact O-CB 3.23Å; V136-S140 PolarHBondContact O-N 3.35Å; V136-S140 PolarHBondContact O-OG 2.9Å; Y137-S140 PolarHBondContact O-N 3.32Å; Y137-S140 PolarHBondContact O-OG 3.4Å; T138-S140 VanDerWaalsContact C-N 3.33Å; T138-S140 PolarHBondContact O-N 3.44Å; S140-L144 WeakPolarHBondContact O-CB 3.49Å
141W70.8Confident75.4Confident90 Ų9089.5 Ų89.534%0.34145%0.453SS..Hα-helixtrans-92.8-54.1177.9-60.1111.7000112.2W69 F73 F77 Y137 T138 Y139 A145W69-W141 HydrophobicContact CZ3-CZ3 4.08Å; F73-W141 AromaticContact CD1-CD2 3.72Å; F73-W141 HydrophobicContact CD1-CD2 3.72Å; F73-W141 AromaticContact CD1-CE2 3.33Å; F73-W141 AromaticContact CD1-CE3 3.97Å; F73-W141 HydrophobicContact CD1-CE3 3.97Å; F73-W141 AromaticContact CD1-CH2 3.64Å; F73-W141 HydrophobicContact CD1-CH2 3.64Å; F73-W141 AromaticContact CD1-CZ2 3.35Å; F73-W141 HydrophobicContact CD1-CZ2 3.35Å; F73-W141 AromaticContact CD1-CZ3 3.92Å; F73-W141 HydrophobicContact CD1-CZ3 3.92Å; F73-W141 AromaticContact CD1-NE1 3.81Å; F73-W141 HydrophobicContact CE1-CD2 4.11Å; F73-W141 AromaticContact CE1-CE2 3.54Å; F73-W141 HydrophobicContact CE1-CE3 4.07Å; F73-W141 AromaticContact CE1-CH2 2.96Å; F73-W141 HydrophobicContact CE1-CH2 2.96Å; F73-W141 AromaticContact CE1-CZ2 2.99Å; F73-W141 HydrophobicContact CE1-CZ2 2.99Å; F73-W141 AromaticContact CE1-CZ3 3.52Å; F73-W141 HydrophobicContact CE1-CZ3 3.52Å; F73-W141 HydrophobicContact CG-CD2 4.41Å; F73-W141 HydrophobicContact CG-CE3 4.48Å; F73-W141 AromaticContact CZ-CH2 3.49Å; F73-W141 HydrophobicContact CZ-CH2 3.49Å; F73-W141 VanDerWaalsContact CZ-CH2 3.49Å; F73-W141 AromaticContact CZ-CZ2 3.99Å; F73-W141 HydrophobicContact CZ-CZ2 3.99Å; F73-W141 AromaticContact CZ-CZ3 3.79Å; F73-W141 HydrophobicContact CZ-CZ3 3.79Å; F77-W141 HydrophobicContact CE2-CB 4.49Å; F77-W141 HydrophobicContact CZ-CB 4.02Å; F77-W141 HydrophobicContact CZ-CG 4.31Å; Y137-W141 AromaticContact CD2-NE1 3.76Å; Y137-W141 AromaticContact CE2-NE1 3.34Å; Y137-W141 VanDerWaalsContact CE2-NE1 3.34Å; Y137-W141 AromaticContact CZ-CD1 3.94Å; Y137-W141 AromaticContact CZ-NE1 3.55Å; T138-W141 PolarHBondContact O-N 3Å; Y139-W141 PolarHBondContact O-N 3.33Å; W141-A145 WeakPolarHBondContact O-CB 3.46Å; W141-A145 PolarHBondContact O-N 3.11Å; W141-A145 VanDerWaalsContact O-N 3.07Å
142Y68.9Low74.8Confident129 Ų12990.9 Ų90.951%0.50646%0.459SS..Hα-helixtrans-69.8-37.7-178.6-74.8-70.1000112.2F77 T138 A145 A146F77-Y142 HydrophobicContact CD1-CE2 4.41Å; F77-Y142 HydrophobicContact CE1-CD2 4.06Å; F77-Y142 AromaticContact CE1-CE2 3.43Å; F77-Y142 HydrophobicContact CE1-CE2 3.43Å; F77-Y142 VanDerWaalsContact CE1-CE2 3.43Å; F77-Y142 HydrophobicContact CE2-CE2 4.49Å; F77-Y142 AromaticContact CZ-CD2 4Å; F77-Y142 HydrophobicContact CZ-CD2 4Å; F77-Y142 AromaticContact CZ-CE2 3.48Å; F77-Y142 HydrophobicContact CZ-CE2 3.48Å; F77-Y142 VanDerWaalsContact CZ-CE2 3.48Å; T138-Y142 WeakPolarHBondContact O-CD2 3.22Å; T138-Y142 PolarHBondContact O-N 2.88Å; Y142-A145 PolarHBondContact O-N 2.77Å; Y142-A146 VanDerWaalsContact O-CB 3.22Å; Y142-A146 WeakPolarHBondContact O-CB 3.38Å; Y142-A146 PolarHBondContact O-N 3.46Å
143G61Low74.1Confident18 Ų1888.7 Ų88.719%0.18645%0.448CS..Hα-helixtrans-62.3-47.5176.700000110.8Y139 A145 A146 W147Y139-G143 WeakPolarHBondContact O-CA 3.32Å; Y139-G143 PolarHBondContact O-N 2.98Å; G143-A145 VanDerWaalsContact C-N 3.32Å; G143-A145 PolarHBondContact O-N 2.83Å; G143-A146 PolarHBondContact O-N 3.29Å; G143-W147 WeakPolarHBondContact O-CB 3.32Å; G143-W147 PolarHBondContact O-N 2.8Å
144L63Low73.6Confident124 Ų12490.5 Ų90.565%0.64945%0.453SS*.Hα-helixtrans-65.4-37.1179.3-154.4138.8000111.8S140 L148S140-L144 WeakPolarHBondContact O-CB 3.49Å; L144-L148 WeakPolarHBondContact O-CB 3.22Å; L144-L148 PolarHBondContact O-N 3.36Å
145A60.7Low73.2Confident58 Ų5896.4 Ų96.448%0.47947%0.473SS..Hα-helixtrans-66.6-41.7172.400000112.7W141 Y142 G143 L148 W149W141-A145 WeakPolarHBondContact O-CB 3.46Å; W141-A145 PolarHBondContact O-N 3.11Å; W141-A145 VanDerWaalsContact O-N 3.07Å; Y142-A145 PolarHBondContact O-N 2.77Å; G143-A145 VanDerWaalsContact C-N 3.32Å; G143-A145 PolarHBondContact O-N 2.83Å; A145-L148 PolarHBondContact O-N 3.28Å; A145-W149 WeakPolarHBondContact O-CB 3.38Å; A145-W149 PolarHBondContact O-N 2.9Å
146A59.7Low72.6Confident60 Ų6098.5 Ų98.550%0.49649%0.485SS..Hα-helixtrans-67.2-39.917800000111.8Y142 G143 W149 C150Y142-A146 VanDerWaalsContact O-CB 3.22Å; Y142-A146 WeakPolarHBondContact O-CB 3.38Å; Y142-A146 PolarHBondContact O-N 3.46Å; G143-A146 PolarHBondContact O-N 3.29Å; A146-W149 PolarHBondContact O-N 3.47Å; A146-C150 WeakPolarHBondContact O-CB 3.3Å; A146-C150 PolarHBondContact O-N 2.99Å
147W63.5Low72.2Confident198 Ų198101 Ų10175%0.7549%0.485SS*.Hα-helixtrans-62.8-42.9172.3-81.2109.8000111.5G143 W149 C150 W151G143-W147 WeakPolarHBondContact O-CB 3.32Å; G143-W147 PolarHBondContact O-N 2.8Å; W147-W149 VanDerWaalsContact C-N 3.33Å; W147-C150 PolarHBondContact O-N 3.21Å; W147-W151 WeakPolarHBondContact O-CB 3.45Å; W147-W151 PolarHBondContact O-N 2.83Å
148L68.8Low72.1Confident108 Ų108103.3 Ų103.357%0.56550%0.496SS*.Hα-helixtrans-63.2-41.2174.5-160.6102.4000111.2L144 A145 W151 I152L144-L148 WeakPolarHBondContact O-CB 3.22Å; L144-L148 PolarHBondContact O-N 3.36Å; A145-L148 PolarHBondContact O-N 3.28Å; L148-W151 WeakPolarHBondContact O-CB 3.38Å; L148-W151 PolarHBondContact O-N 3.46Å; L148-I152 HydrophobicContact CD2-CD1 3.9Å; L148-I152 HydrophobicContact CG-CD1 4.26Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 2.84Å
149W62.4Low71.9Confident173 Ų173104.4 Ų104.466%0.65550%0.503SS*.Hα-helixtrans-66.9-43.4178.9-147.783000111.6A145 A146 W147 W151 I152 I153A145-W149 WeakPolarHBondContact O-CB 3.38Å; A145-W149 PolarHBondContact O-N 2.9Å; A146-W149 PolarHBondContact O-N 3.47Å; W147-W149 VanDerWaalsContact C-N 3.33Å; W149-W151 VanDerWaalsContact C-N 3.32Å; W149-W151 PolarHBondContact O-N 3.3Å; W149-I152 PolarHBondContact O-N 2.88Å; W149-I153 HydrophobicContact CD2-CD1 4.3Å; W149-I153 HydrophobicContact CD2-CG1 4.47Å; W149-I153 HydrophobicContact CE3-CD1 3.27Å; W149-I153 HydrophobicContact CE3-CG1 3.86Å; W149-I153 HydrophobicContact CH2-CD1 3.89Å; W149-I153 HydrophobicContact CH2-CG1 4.18Å; W149-I153 HydrophobicContact CZ3-CD1 3.04Å; W149-I153 HydrophobicContact CZ3-CG1 3.73Å; W149-I153 WeakPolarHBondContact O-CG1 3.28Å; W149-I153 PolarHBondContact O-N 3.33Å
150C70.7Confident71.7Confident63 Ų63102.3 Ų102.343%0.42650%0.499SS..Hα-helixtrans-59.2-44.3172.1-175.70000111.1A146 W147 I152 I153 C154A146-C150 WeakPolarHBondContact O-CB 3.3Å; A146-C150 PolarHBondContact O-N 2.99Å; W147-C150 PolarHBondContact O-N 3.21Å; C150-I152 PolarHBondContact O-N 3.46Å; C150-I153 PolarHBondContact O-N 3.21Å; C150-C154 WeakPolarHBondContact O-CB 3.35Å; C150-C154 PolarHBondContact O-N 2.87Å; C150-C154 PolarHBondContact O-SG 3.24Å
151W73.6Confident71.5Confident181 Ų181103.1 Ų103.169%0.68650%0.499SS*.Hα-helixtrans-60.3-43.6174.8-170.4-73.2000112.2W147 L148 W149 C154 W155W147-W151 WeakPolarHBondContact O-CB 3.45Å; W147-W151 PolarHBondContact O-N 2.83Å; L148-W151 WeakPolarHBondContact O-CB 3.38Å; L148-W151 PolarHBondContact O-N 3.46Å; W149-W151 VanDerWaalsContact C-N 3.32Å; W149-W151 PolarHBondContact O-N 3.3Å; W151-C154 PolarHBondContact O-N 2.96Å; W151-W155 VanDerWaalsContact O-CB 3.28Å; W151-W155 WeakPolarHBondContact O-CB 3.43Å; W151-W155 PolarHBondContact O-N 2.84Å
152I77.2Confident71.8Confident93 Ų93102.2 Ų102.248%0.47750%0.5SS..Hα-helixtrans-62-45.2178-70.6162.9000110.7L148 W149 C150 W155 S156L148-I152 HydrophobicContact CD2-CD1 3.9Å; L148-I152 HydrophobicContact CG-CD1 4.26Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 2.84Å; W149-I152 PolarHBondContact O-N 2.88Å; C150-I152 PolarHBondContact O-N 3.46Å; I152-W155 PolarHBondContact O-N 3.45Å; I152-S156 WeakPolarHBondContact O-CB 3.23Å; I152-S156 PolarHBondContact O-N 2.88Å; I152-S156 PolarHBondContact O-OG 2.89Å
153I77.6Confident72Confident74 Ų74100.6 Ų100.638%0.37950%0.499SS..Hα-helixtrans-63-46.9175.9-61.2166.8000111W149 C150 W155 S156 Y157W149-I153 HydrophobicContact CD2-CD1 4.3Å; W149-I153 HydrophobicContact CD2-CG1 4.47Å; W149-I153 HydrophobicContact CE3-CD1 3.27Å; W149-I153 HydrophobicContact CE3-CG1 3.86Å; W149-I153 HydrophobicContact CH2-CD1 3.89Å; W149-I153 HydrophobicContact CH2-CG1 4.18Å; W149-I153 HydrophobicContact CZ3-CD1 3.04Å; W149-I153 HydrophobicContact CZ3-CG1 3.73Å; W149-I153 WeakPolarHBondContact O-CG1 3.28Å; W149-I153 PolarHBondContact O-N 3.33Å; C150-I153 PolarHBondContact O-N 3.21Å; I153-W155 VanDerWaalsContact C-N 3.25Å; I153-W155 PolarHBondContact O-N 3.37Å; I153-S156 WeakPolarHBondContact CA-OG 3.39Å; I153-S156 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-OG 2.82Å; I153-Y157 VanDerWaalsContact O-CB 3.3Å; I153-Y157 WeakPolarHBondContact O-CB 3.39Å; I153-Y157 PolarHBondContact O-N 3.28Å
154C79.6Confident72.5Confident79 Ų79102.1 Ų102.153%0.53451%0.511SS..Hα-helixtrans-61.7-38.7-180-71.40000111.1C150 W151 K158C150-C154 WeakPolarHBondContact O-CB 3.35Å; C150-C154 PolarHBondContact O-N 2.87Å; C150-C154 PolarHBondContact O-SG 3.24Å; W151-C154 PolarHBondContact O-N 2.96Å; C154-K158 WeakPolarHBondContact O-CB 3.37Å; C154-K158 PolarHBondContact O-N 2.91Å
155W79.7Confident72.7Confident144 Ų144100.6 Ų100.655%0.54550%0.503SS..Hα-helixtrans-69.3-43.3175.9-168.9-91.3000112.1W151 I152 I153 Y157 K158 V159W151-W155 VanDerWaalsContact O-CB 3.28Å; W151-W155 WeakPolarHBondContact O-CB 3.43Å; W151-W155 PolarHBondContact O-N 2.84Å; I152-W155 PolarHBondContact O-N 3.45Å; I153-W155 VanDerWaalsContact C-N 3.25Å; I153-W155 PolarHBondContact O-N 3.37Å; W155-Y157 VanDerWaalsContact C-N 3.31Å; W155-Y157 PolarHBondContact O-N 3.37Å; W155-K158 PolarHBondContact O-N 2.95Å; W155-V159 WeakPolarHBondContact O-CG2 3.3Å; W155-V159 PolarHBondContact O-N 2.86Å
156S76.2Confident72.9Confident64 Ų64104.5 Ų104.545%0.44851%0.511SS..Hα-helixtrans-63.1-40.2176.863.90000111.4I152 I153 V159 E160I152-S156 WeakPolarHBondContact O-CB 3.23Å; I152-S156 PolarHBondContact O-N 2.88Å; I152-S156 PolarHBondContact O-OG 2.89Å; I153-S156 WeakPolarHBondContact CA-OG 3.39Å; I153-S156 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-OG 2.82Å; S156-V159 PolarHBondContact O-N 3.35Å; S156-E160 WeakPolarHBondContact O-CB 3.44Å; S156-E160 PolarHBondContact O-N 3.21Å
157Y78.2Confident72.8Confident145 Ų145105 Ų10557%0.56951%0.508SS*.Hα-helixtrans-66.3-39.2175.6-168.7-109.5000111.9I153 W155 E160 I161I153-Y157 VanDerWaalsContact O-CB 3.3Å; I153-Y157 WeakPolarHBondContact O-CB 3.39Å; I153-Y157 PolarHBondContact O-N 3.28Å; W155-Y157 VanDerWaalsContact C-N 3.31Å; W155-Y157 PolarHBondContact O-N 3.37Å; Y157-E160 PolarHBondContact O-N 3Å; Y157-I161 HydrophobicContact CD1-CD1 3.68Å; Y157-I161 HydrophobicContact CE1-CD1 3.37Å; Y157-I161 HydrophobicContact CE1-CG1 4.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.43Å; Y157-I161 PolarHBondContact O-N 3.43Å
158K81.8Confident72.4Confident108 Ų108101.6 Ų101.647%0.4750%0.501SS..Hα-helixtrans-61.9-47173.4-172.5-171.5171.6-169.40111.6C154 W155 E160 I161 D162C154-K158 WeakPolarHBondContact O-CB 3.37Å; C154-K158 PolarHBondContact O-N 2.91Å; W155-K158 PolarHBondContact O-N 2.95Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 2.85Å; K158-I161 PolarHBondContact O-N 2.93Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.39Å
159V77.5Confident71.7Confident58 Ų58101.8 Ų101.835%0.35250%0.502SS..Hα-helixtrans-62.2-39.2177.71710000111.2W155 S156 D162 I163W155-V159 WeakPolarHBondContact O-CG2 3.3Å; W155-V159 PolarHBondContact O-N 2.86Å; S156-V159 PolarHBondContact O-N 3.35Å; V159-D162 PolarHBondContact O-N 3.38Å; V159-I163 HydrophobicContact CG1-CD1 3.78Å; V159-I163 HydrophobicContact CG1-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.25Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 2.99Å
160E75.3Confident71.3Confident128 Ų12899 Ų9960%0.59850%0.5SS*.Hα-helixtrans-63.6-40.3175.5-169.6175.5-174.100112S156 Y157 K158 A164S156-E160 WeakPolarHBondContact O-CB 3.44Å; S156-E160 PolarHBondContact O-N 3.21Å; Y157-E160 PolarHBondContact O-N 3Å; K158-E160 VanDerWaalsContact C-N 3.31Å; K158-E160 PolarHBondContact O-N 2.85Å; E160-A164 WeakPolarHBondContact O-CB 3.42Å; E160-A164 PolarHBondContact O-N 3.42Å
161I76.1Confident70.6Confident70 Ų70103 Ų10336%0.35951%0.51SS..Hα-helixtrans-65.8-44.9173.1-70.3169.4000111.4Y157 K158 I163 A164 L165Y157-I161 HydrophobicContact CD1-CD1 3.68Å; Y157-I161 HydrophobicContact CE1-CD1 3.37Å; Y157-I161 HydrophobicContact CE1-CG1 4.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.43Å; Y157-I161 PolarHBondContact O-N 3.43Å; K158-I161 PolarHBondContact O-N 2.93Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 3.37Å; I161-A164 PolarHBondContact O-N 2.92Å; I161-L165 HydrophobicContact CG2-CD1 3.76Å; I161-L165 HydrophobicContact CG2-CG 4.39Å; I161-L165 WeakPolarHBondContact O-CG 3.36Å; I161-L165 PolarHBondContact O-N 3.46Å
162D76.4Confident69.7Low71 Ų7199.8 Ų99.838%0.3850%0.504SS..Hα-helixtrans-61.8-42.3-179.6-69.5-19.2000110.3K158 V159 L165 E166K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.39Å; V159-D162 PolarHBondContact O-N 3.38Å; D162-L165 PolarHBondContact O-N 3.2Å; D162-E166 PolarHBondContact O-N 2.94Å
163I73Confident68.8Low95 Ų9596.8 Ų96.849%0.48749%0.493SS..Hα-helixtrans-65.2-42.1174.2-67.2166000111.4V159 I161 L165 E166 T167V159-I163 HydrophobicContact CG1-CD1 3.78Å; V159-I163 HydrophobicContact CG1-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.25Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 2.99Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 3.37Å; I163-L165 VanDerWaalsContact C-N 3.32Å; I163-L165 PolarHBondContact O-N 2.99Å; I163-E166 PolarHBondContact O-N 3.31Å; I163-T167 WeakPolarHBondContact O-CG2 3.43Å; I163-T167 PolarHBondContact O-N 3.11Å; I163-T167 PolarHBondContact O-OG1 3.31Å
164A71Confident67.8Low51 Ų5198 Ų9842%0.42150%0.504SS..Hα-helixtrans-62.7-39.9178.400000111.8E160 I161 T167 E168E160-A164 WeakPolarHBondContact O-CB 3.42Å; E160-A164 PolarHBondContact O-N 3.42Å; I161-A164 PolarHBondContact O-N 2.92Å; A164-T167 PolarHBondContact O-N 3.07Å; A164-T167 PolarHBondContact O-OG1 3.41Å; A164-E168 PolarHBondContact O-N 3.33Å
165L68.1Low66.9Low92 Ų92101 Ų10148%0.48251%0.505SS..Hα-helixtrans-67.8-42.4175.6-74.2165.6000112.1I161 D162 I163 T167 E168 D169I161-L165 HydrophobicContact CG2-CD1 3.76Å; I161-L165 HydrophobicContact CG2-CG 4.39Å; I161-L165 WeakPolarHBondContact O-CG 3.36Å; I161-L165 PolarHBondContact O-N 3.46Å; D162-L165 PolarHBondContact O-N 3.2Å; I163-L165 VanDerWaalsContact C-N 3.32Å; I163-L165 PolarHBondContact O-N 2.99Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.45Å; L165-E168 PolarHBondContact O-N 2.77Å; L165-E168 VanDerWaalsContact O-N 3.07Å; L165-D169 PolarHBondContact O-N 3.41Å; L165-D169 VanDerWaalsContact O-N 3.11Å
166E64.5Low66Low139 Ų13998.6 Ų98.665%0.6550%0.502SS*.Hα-helixtrans-59.7-37.4174.7-78.2-178.1174.700111.8D162 I163 E168 D169 D170D162-E166 PolarHBondContact O-N 2.94Å; I163-E166 PolarHBondContact O-N 3.31Å; E166-E168 VanDerWaalsContact C-N 3.3Å; E166-E168 PolarHBondContact O-N 3.47Å; E166-D169 PolarHBondContact O-N 3.06Å; E166-D170 PolarHBondContact O-N 2.85Å
167T57.1Low64.9Low71 Ų71104 Ų10444%0.43651%0.514SS..Hα-helixtrans-71.4-20.6176.361.40000114.4I163 A164 L165 K171I163-T167 WeakPolarHBondContact O-CG2 3.43Å; I163-T167 PolarHBondContact O-N 3.11Å; I163-T167 PolarHBondContact O-OG1 3.31Å; A164-T167 PolarHBondContact O-N 3.07Å; A164-T167 PolarHBondContact O-OG1 3.41Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 3.45Å; T167-K171 WeakPolarHBondContact O-CG 3.32Å; T167-K171 PolarHBondContact O-N 2.77Å
168E55.2Low64Low127 Ų127100.1 Ų100.159%0.59351%0.507SS*.Hα-helixtrans-77.4-39.8170.1-77.3-165.8152.600111.5A164 L165 E166 D170 K171 M172A164-E168 PolarHBondContact O-N 3.33Å; L165-E168 PolarHBondContact O-N 2.77Å; L165-E168 VanDerWaalsContact O-N 3.07Å; E166-E168 VanDerWaalsContact C-N 3.3Å; E166-E168 PolarHBondContact O-N 3.47Å; E168-D170 VanDerWaalsContact C-N 3.31Å; E168-D170 PolarHBondContact O-N 3.32Å; E168-K171 PolarHBondContact O-N 3.27Å; E168-M172 PolarHBondContact O-N 2.95Å
169D54.5Low62.9Low111 Ų11198.7 Ų98.759%0.59450%0.502SS*.Hα-helixtrans-64.9-35.8174.6-84.2-18.5000111.7L165 E166 M172 A173L165-D169 PolarHBondContact O-N 3.41Å; L165-D169 VanDerWaalsContact O-N 3.11Å; E166-D169 PolarHBondContact O-N 3.06Å; D169-M172 PolarHBondContact O-N 3.33Å; D169-A173 WeakPolarHBondContact O-CB 3.43Å; D169-A173 PolarHBondContact O-N 2.97Å
170D54.5Low61.9Low114 Ų114100.1 Ų100.161%0.6151%0.511SS*.Hα-helixtrans-70.2-34.8176.4-12711000112E166 E168 M172 A173 V174E166-D170 PolarHBondContact O-N 2.85Å; E168-D170 VanDerWaalsContact C-N 3.31Å; E168-D170 PolarHBondContact O-N 3.32Å; D170-M172 VanDerWaalsContact C-N 3.35Å; D170-A173 PolarHBondContact O-N 3.46Å; D170-V174 WeakPolarHBondContact O-CB 3.22Å; D170-V174 WeakPolarHBondContact O-CG2 3.46Å; D170-V174 PolarHBondContact O-N 3.43Å
171K55.3Low61Low149 Ų14999 Ų9965%0.64851%0.509SS*.Hα-helixtrans-67.4-37171.4-75.1172.7-174.7168.80111.8T167 E168 Y175T167-K171 WeakPolarHBondContact O-CG 3.32Å; T167-K171 PolarHBondContact O-N 2.77Å; E168-K171 PolarHBondContact O-N 3.27Å; K171-Y175 WeakPolarHBondContact O-CB 3.26Å; K171-Y175 PolarHBondContact O-N 3.28Å
172M55.6Low60.1Low112 Ų112101.4 Ų101.455%0.55252%0.519SS*.Hα-helixtrans-71.1-37.8175.9-147.5-170.7-63.300111.1E168 D169 D170 Y175 I176E168-M172 PolarHBondContact O-N 2.95Å; D169-M172 PolarHBondContact O-N 3.33Å; D170-M172 VanDerWaalsContact C-N 3.35Å; M172-Y175 PolarHBondContact O-N 3.28Å; M172-I176 HydrophobicContact CG-CD1 4.39Å; M172-I176 WeakPolarHBondContact O-CB 3.22Å; M172-I176 WeakPolarHBondContact O-CG1 3.5Å; M172-I176 PolarHBondContact O-N 2.87Å
173A56.8Low59.2Low30 Ų30102.5 Ų102.525%0.24853%0.525CS..Hα-helixtrans-64-47.2173.600000111.2D169 D170 Y175 I176 Y177D169-A173 WeakPolarHBondContact O-CB 3.43Å; D169-A173 PolarHBondContact O-N 2.97Å; D170-A173 PolarHBondContact O-N 3.46Å; A173-Y175 VanDerWaalsContact C-N 3.29Å; A173-Y175 PolarHBondContact O-N 2.82Å; A173-I176 PolarHBondContact O-N 3.48Å; A173-Y177 HydrophobicContact CB-CD2 4.47Å; A173-Y177 WeakPolarHBondContact O-CB 3.1Å; A173-Y177 WeakPolarHBondContact O-CD2 3.35Å; A173-Y177 PolarHBondContact O-N 2.98Å
174V58Low58.4Low100 Ų100100.6 Ų100.661%0.60652%0.52SS*.Hα-helixtrans-60.3-39.1174.7172.20000111.2D170 S178D170-V174 WeakPolarHBondContact O-CB 3.22Å; D170-V174 WeakPolarHBondContact O-CG2 3.46Å; D170-V174 PolarHBondContact O-N 3.43Å; V174-S178 WeakPolarHBondContact O-CB 3.38Å; V174-S178 PolarHBondContact O-N 3.24Å; V174-S178 PolarHBondContact O-OG 3.39Å
175Y60.5Low57.5Low143 Ų143102.9 Ų102.956%0.56152%0.524SS*.Hα-helixtrans-65.1-45.3174.6-173.5-100.2000112.1K171 M172 A173 S178 Q179K171-Y175 WeakPolarHBondContact O-CB 3.26Å; K171-Y175 PolarHBondContact O-N 3.28Å; M172-Y175 PolarHBondContact O-N 3.28Å; A173-Y175 VanDerWaalsContact C-N 3.29Å; A173-Y175 PolarHBondContact O-N 2.82Å; Y175-S178 PolarHBondContact O-N 3.38Å; Y175-S178 PolarHBondContact O-OG 3.2Å; Y175-Q179 HydrophobicContact CD1-CG 4.23Å; Y175-Q179 HydrophobicContact CE1-CG 3.93Å; Y175-Q179 VanDerWaalsContact O-CG 3.28Å; Y175-Q179 WeakPolarHBondContact O-CG 3.34Å; Y175-Q179 PolarHBondContact O-N 3Å; Y175-Q179 PolarHBondContact OH-NE2 3.16Å
176I60Low56.9Low92 Ų92107.1 Ų107.147%0.47253%0.534SS..Hα-helixtrans-64-43.6177.7-68.6165.6000110.9M172 A173 S178 Q179 V180M172-I176 HydrophobicContact CG-CD1 4.39Å; M172-I176 WeakPolarHBondContact O-CB 3.22Å; M172-I176 WeakPolarHBondContact O-CG1 3.5Å; M172-I176 PolarHBondContact O-N 2.87Å; A173-I176 PolarHBondContact O-N 3.48Å; I176-S178 PolarHBondContact O-N 2.73Å; I176-Q179 PolarHBondContact O-N 3.3Å; I176-V180 HydrophobicContact CG2-CG2 4.39Å; I176-V180 VanDerWaalsContact O-CG2 3.26Å; I176-V180 WeakPolarHBondContact O-CG2 3.44Å; I176-V180 PolarHBondContact O-N 3.26Å
177Y53.3Low56.5Low179 Ų179105 Ų10570%0.70253%0.531SS*.Hα-helixtrans-65.8-36.9176.2-78.3-67.5000112.2A173 Q179 V180 D181A173-Y177 HydrophobicContact CB-CD2 4.47Å; A173-Y177 WeakPolarHBondContact O-CB 3.1Å; A173-Y177 WeakPolarHBondContact O-CD2 3.35Å; A173-Y177 PolarHBondContact O-N 2.98Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.17Å; Y177-V180 PolarHBondContact O-N 3.14Å; Y177-D181 PolarHBondContact O-N 3.47Å; Y177-D181 VanDerWaalsContact O-N 3.14Å
178S60.1Low56.2Low62 Ų62103.2 Ų103.243%0.43453%0.526SS..Hα-helixtrans-65-36.3174.674.20000112.8V174 Y175 I176 E182V174-S178 WeakPolarHBondContact O-CB 3.38Å; V174-S178 PolarHBondContact O-N 3.24Å; V174-S178 PolarHBondContact O-OG 3.39Å; Y175-S178 PolarHBondContact O-N 3.38Å; Y175-S178 PolarHBondContact O-OG 3.2Å; I176-S178 PolarHBondContact O-N 2.73Å; S178-E182 PolarHBondContact O-N 2.99Å
179Q58.1Low56Low79 Ų79101.8 Ų101.837%0.36952%0.522SS..Hα-helixtrans-74.1-33.5177-71.8-105.6-35.700112.8Y175 I176 Y177 N183Y175-Q179 HydrophobicContact CD1-CG 4.23Å; Y175-Q179 HydrophobicContact CE1-CG 3.93Å; Y175-Q179 VanDerWaalsContact O-CG 3.28Å; Y175-Q179 WeakPolarHBondContact O-CG 3.34Å; Y175-Q179 PolarHBondContact O-N 3Å; Y175-Q179 PolarHBondContact OH-NE2 3.16Å; I176-Q179 PolarHBondContact O-N 3.3Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 3.17Å; Q179-N183 WeakPolarHBondContact O-CB 3.28Å; Q179-N183 PolarHBondContact O-N 2.95Å; Q179-N183 VanDerWaalsContact O-N 3.16Å; Q179-N183 PolarHBondContact O-ND2 3.37Å; Q179-N183 VanDerWaalsContact O-ND2 3.17Å
180V57.5Low55.9Low88 Ų88100.6 Ų100.653%0.53352%0.522SS..Hα-helixtrans-69-37.7176.9170.60000110.8I176 Y177 S184I176-V180 HydrophobicContact CG2-CG2 4.39Å; I176-V180 VanDerWaalsContact O-CG2 3.26Å; I176-V180 WeakPolarHBondContact O-CG2 3.44Å; I176-V180 PolarHBondContact O-N 3.26Å; Y177-V180 PolarHBondContact O-N 3.14Å; V180-S184 WeakPolarHBondContact O-CB 3.34Å; V180-S184 PolarHBondContact O-N 3.25Å; V180-S184 PolarHBondContact O-OG 2.92Å
181D56.1Low55.8Low104 Ų10499.4 Ų99.456%0.55652%0.523SS*.Hα-helixtrans-72-35.4178.3-141.515.2000112.1Y177 S184 L185Y177-D181 PolarHBondContact O-N 3.47Å; Y177-D181 VanDerWaalsContact O-N 3.14Å; D181-S184 WeakPolarHBondContact CA-OG 3.47Å; D181-S184 PolarHBondContact O-OG 2.89Å; D181-L185 WeakPolarHBondContact O-CB 3.38Å; D181-L185 WeakPolarHBondContact O-CD1 3.46Å; D181-L185 PolarHBondContact O-N 3.21Å
182E56.9Low55.4Low121 Ų121100.5 Ų100.557%0.56553%0.528SS*.Hα-helixtrans-70.3-35.2177-151.1176.8-166.200112.5S178 R186S178-E182 PolarHBondContact O-N 2.99Å; E182-R186 PolarHBondContact O-N 2.75Å; E182-R186 VanDerWaalsContact O-N 3.11Å
183N57.2Low55Low94 Ų94104.6 Ų104.650%0.50354%0.539SS..Hα-helixtrans-78.3-32.1177-76.8-37.7000113.2Q179 T187Q179-N183 WeakPolarHBondContact O-CB 3.28Å; Q179-N183 PolarHBondContact O-N 2.95Å; Q179-N183 VanDerWaalsContact O-N 3.16Å; Q179-N183 PolarHBondContact O-ND2 3.37Å; Q179-N183 VanDerWaalsContact O-ND2 3.17Å; N183-T187 PolarHBondContact O-N 3.48Å; N183-T187 PolarHBondContact O-OG1 3.06Å
184S56.4Low54.2Low55 Ų55114.1 Ų114.139%0.38559%0.585SS.*Hα-helixtrans-69.8-37.8173.570.20000111.2V180 D181 T187 G188V180-S184 WeakPolarHBondContact O-CB 3.34Å; V180-S184 PolarHBondContact O-N 3.25Å; V180-S184 PolarHBondContact O-OG 2.92Å; D181-S184 WeakPolarHBondContact CA-OG 3.47Å; D181-S184 PolarHBondContact O-OG 2.89Å; S184-T187 WeakPolarHBondContact CA-OG1 3.46Å; S184-T187 PolarHBondContact O-N 3.05Å; S184-T187 PolarHBondContact O-OG1 2.95Å; S184-G188 PolarHBondContact O-N 3.11Å
185L51.9Low54Low98 Ų98114.9 Ų114.951%0.51358%0.584SS.*Hα-helixtrans-66.2-39.8172.4-94.8144.1000112.6D181 I189D181-L185 WeakPolarHBondContact O-CB 3.38Å; D181-L185 WeakPolarHBondContact O-CD1 3.46Å; D181-L185 PolarHBondContact O-N 3.21Å; L185-I189 HydrophobicContact CD2-CD1 4.05Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 WeakPolarHBondContact O-CD1 3.22Å; L185-I189 WeakPolarHBondContact O-CG1 3.47Å; L185-I189 PolarHBondContact O-N 3.38Å
186R54.8Low53.6Low181 Ų181113.4 Ų113.468%0.68359%0.586SS**Hα-helixtrans-68-36.1175.5-84.4-175.3173.5-151.9-0.1113.7E182 S190E182-R186 PolarHBondContact O-N 2.75Å; E182-R186 VanDerWaalsContact O-N 3.11Å; R186-S190 WeakPolarHBondContact O-CB 3.37Å; R186-S190 PolarHBondContact O-N 3.47Å; R186-S190 PolarHBondContact O-OG 3.42Å
187T56.6Low53.3Low96 Ų96114.6 Ų114.659%0.58959%0.592SS**Hα-helixtrans-78.1-30.3176.644.60000112.3N183 S184 S190 S191N183-T187 PolarHBondContact O-N 3.48Å; N183-T187 PolarHBondContact O-OG1 3.06Å; S184-T187 WeakPolarHBondContact CA-OG1 3.46Å; S184-T187 PolarHBondContact O-N 3.05Å; S184-T187 PolarHBondContact O-OG1 2.95Å; T187-S190 PolarHBondContact O-OG 3.35Å; T187-S191 PolarHBondContact O-N 2.77Å
188G51.7Low53.3Low33 Ų33110.8 Ų110.834%0.3459%0.585SS.*Hα-helixtrans-69.2-44.2171.800000113.3S184 S191S184-G188 PolarHBondContact O-N 3.11Å; G188-S191 PolarHBondContact O-N 2.76Å; G188-S191 PolarHBondContact O-OG 2.96Å
189I50.1Low52.8Low97 Ų97113.8 Ų113.850%0.49760%0.595SS.*Hα-helixtrans-74.2-33-177.6-66.3167.7000112.1L185 S191 F192 Y193L185-I189 HydrophobicContact CD2-CD1 4.05Å; L185-I189 WeakPolarHBondContact O-CB 3.44Å; L185-I189 WeakPolarHBondContact O-CD1 3.22Å; L185-I189 WeakPolarHBondContact O-CG1 3.47Å; L185-I189 PolarHBondContact O-N 3.38Å; I189-S191 VanDerWaalsContact C-N 3.28Å; I189-S191 PolarHBondContact O-N 3.22Å; I189-F192 PolarHBondContact O-N 3.2Å; I189-Y193 HydrophobicContact CG2-CD2 4.36Å
190S52.7Low52.5Low86 Ų86116.1 Ų116.160%0.60161%0.61SS**Hα-helixtrans-71.5-20.2174.851.90000113.6R186 T187 F192R186-S190 WeakPolarHBondContact O-CB 3.37Å; R186-S190 PolarHBondContact O-N 3.47Å; R186-S190 PolarHBondContact O-OG 3.42Å; T187-S190 PolarHBondContact O-OG 3.35Å; S190-F192 VanDerWaalsContact C-N 3.29Å
191S51.6Low52.1Low89 Ų89118.1 Ų118.162%0.62262%0.615SS**THydrogen-bonded Turntrans-77.7-12.7171.677.10000114T187 G188 I189T187-S191 PolarHBondContact O-N 2.77Å; G188-S191 PolarHBondContact O-N 2.76Å; G188-S191 PolarHBondContact O-OG 2.96Å; I189-S191 VanDerWaalsContact C-N 3.28Å; I189-S191 PolarHBondContact O-N 3.22Å
192F47.6Very low51.8Low172 Ų172119.2 Ų119.275%0.75462%0.62SS**SBendtrans-102.2-8-177.3-100.5-85.5000114.7I189 S190I189-F192 PolarHBondContact O-N 3.2Å; S190-F192 VanDerWaalsContact C-N 3.29Å
193Y47.9Very low51.4Low198 Ų198119.1 Ų119.178%0.77663%0.625SS**  trans-127.247.2-174.5-83-81.3000113.6I189I189-Y193 HydrophobicContact CG2-CD2 4.36Å
194N38.8Very low50.9Low230 Ų230121.4 Ų121.4100%1.2364%0.636SS**  trans-80.20143.4-92-21.6000109.3

Retrieved 194 of 194 residues in 156.1 ms (Link to these results)