A0A087XCC6_POEFO Loading...

Sorcin

AlphaFold DB (A0A3B3V041), UniProt , Accession A0A087XCC6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low43.9Very low245 Ų245133.3 Ų133.3100%1.20785%0.852SS**  0115.30-82.2167170.800107.2
2A36.4Very low43.4Very low98 Ų98128.5 Ų128.581%0.8185%0.846SS**PPolyproline II helixtrans-90.9138.2-171.500000110.7
3Y38.7Very low43.8Very low228 Ų228131.6 Ų131.689%0.89484%0.838SS**PPolyproline II helixtrans-75.1134.1171-70.2-88.8000110.2
4P48.4Very low43.7Very low127 Ų127131.9 Ų131.983%0.82584%0.841SS**PPolyproline II helixtrans-91.6124.4169.528.3-19.8000111.6
5G38.8Very low44.4Very low75 Ų75128.5 Ų128.577%0.77384%0.841SS**  83.287.4129.700000118.5G7G5-G7 PolarHBondContact O-N 3.26Å
6Y54.7Low45Very low252 Ų252126.2 Ų126.299%0.98882%0.817SS**  trans-60.7125.7153.5-101.8-101.1000110.3
7G36Very low45.9Very low71 Ų71122.1 Ų122.173%0.73279%0.79SS**  trans-162.5100.5177.600000113.4G5G5-G7 PolarHBondContact O-N 3.26Å
8A49Very low46.9Very low103 Ų103121.3 Ų121.385%0.85179%0.785SS**  trans95.6142.4152.500000120.5
9P52Low47.7Very low121 Ų121119 Ų11979%0.78676%0.763SS**  trans-103.2156.8-161.639.1-28.9000113.4
10G49.6Very low48.5Very low87 Ų87116.5 Ų116.590%0.89774%0.741SS**  trans65.491.3149.900000116.7
11G37.7Very low49.3Very low59 Ų59117.6 Ų117.661%0.60874%0.737SS**  trans-153.568.7168.400000110.5F13G11-F13 PolarHBondContact O-N 3.38Å; G11-F13 VanDerWaalsContact O-N 3.11Å
12G38.3Very low51Low76 Ų76107.4 Ų107.478%0.78469%0.687SS**  trans-64.3109169.200000109P14G12-P14 WeakPolarHBondContact O-CD 3.4Å
13F48Very low52.9Low169 Ų169108.7 Ų108.774%0.74169%0.687SS**  trans-66.5118.3172.3-73.1-89.2000108.8G11 G15G11-F13 PolarHBondContact O-N 3.38Å; G11-F13 VanDerWaalsContact O-N 3.11Å; F13-G15 PolarHBondContact O-N 3.4Å
14P42.2Very low54.7Low135 Ų135100.7 Ų100.788%0.87766%0.659SS**THydrogen-bonded Turntrans-72.9118.1-179.128.6-30.4000109G12G12-P14 WeakPolarHBondContact O-CD 3.4Å
15G55.3Low56.3Low82 Ų8297.4 Ų97.485%0.84563%0.631SS**THydrogen-bonded Turntrans120.6-2.4174.900000115.8F13F13-G15 PolarHBondContact O-N 3.4Å
16M53.1Low58.3Low91 Ų9196.4 Ų96.445%0.44862%0.621SS.*  trans-78.2126.3176.4-138.4166.8-178.800109.9Q20M16-Q20 HydrophobicContact CE-CB 3.96Å; M16-Q20 HydrophobicContact CE-CG 4.26Å; M16-Q20 HydrophobicContact CG-CB 3.7Å; M16-Q20 HydrophobicContact CG-CG 4.43Å; M16-Q20 HydrophobicContact SD-CB 4.19Å
17P60.3Low59.5Low56 Ų5687.6 Ų87.636%0.36459%0.586SS.*  trans-53.7144.2179.318.8-30.9000110.5Q19 Q20P17-Q19 PolarHBondContact O-N 3.11Å; P17-Q20 VanDerWaalsContact CD-OE1 3.32Å; P17-Q20 HydrophobicContact CG-CB 4.33Å; P17-Q20 HydrophobicContact CG-CG 4.08Å; P17-Q20 WeakPolarHBondContact O-CB 3.3Å; P17-Q20 PolarHBondContact O-N 2.88Å
18P64.4Low61.8Low109 Ų10984.6 Ų84.671%0.70855%0.553SS**G310 helixtrans-53.1-30-171.4-2632.4000114.1Q20 Q21P18-Q20 VanDerWaalsContact C-N 3.34Å; P18-Q20 PolarHBondContact O-N 3.49Å; P18-Q21 PolarHBondContact O-N 2.93Å
19Q62.7Low63.5Low77 Ų7782.5 Ų82.536%0.3653%0.532SS..G310 helixtrans-65.5-34.6179-66164.1-50.800112.5P17 Q21 D22 Y25 F81 N82P17-Q19 PolarHBondContact O-N 3.11Å; Q19-Q21 PolarHBondContact O-N 3.41Å; Q19-D22 WeakPolarHBondContact O-CB 3.44Å; Q19-D22 PolarHBondContact O-N 3.4Å; Q19-Y25 HydrophobicContact CB-CD2 4.1Å; Q19-Y25 HydrophobicContact CB-CE2 4.15Å; Q19-Y25 WeakPolarHBondContact O-CB 3.32Å; Q19-Y25 WeakPolarHBondContact O-CD2 3.46Å; Q19-F81 HydrophobicContact CB-CD1 3.68Å; Q19-F81 HydrophobicContact CB-CE1 3.87Å; Q19-F81 HydrophobicContact CG-CD1 3.79Å; Q19-F81 HydrophobicContact CG-CE1 4.16Å; Q19-N82 PolarHBondContact NE2-ND2 3.15Å; Q19-N82 PolarHBondContact NE2-OD1 2.71Å
20Q62.2Low65Low68 Ų6883.7 Ų83.732%0.31853%0.527SS..G310 helixtrans-72.9-9.7-179.9-86171.614.300114.1M16 P17 P18 Y25M16-Q20 HydrophobicContact CE-CB 3.96Å; M16-Q20 HydrophobicContact CE-CG 4.26Å; M16-Q20 HydrophobicContact CG-CB 3.7Å; M16-Q20 HydrophobicContact CG-CG 4.43Å; M16-Q20 HydrophobicContact SD-CB 4.19Å; P17-Q20 VanDerWaalsContact CD-OE1 3.32Å; P17-Q20 HydrophobicContact CG-CB 4.33Å; P17-Q20 HydrophobicContact CG-CG 4.08Å; P17-Q20 WeakPolarHBondContact O-CB 3.3Å; P17-Q20 PolarHBondContact O-N 2.88Å; P18-Q20 VanDerWaalsContact C-N 3.34Å; P18-Q20 PolarHBondContact O-N 3.49Å; Q20-Y25 HydrophobicContact CB-CD1 4.3Å; Q20-Y25 HydrophobicContact CB-CE1 4.31Å; Q20-Y25 HydrophobicContact CG-CD1 3.68Å; Q20-Y25 HydrophobicContact CG-CE1 3.24Å; Q20-Y25 HydrophobicContact CG-CE2 4.21Å; Q20-Y25 HydrophobicContact CG-CG 4.33Å; Q20-Y25 PolarHBondContact NE2-OH 2.9Å
21Q65.7Low66.7Low140 Ų14080.4 Ų80.465%0.65449%0.49SS*.G310 helixtrans-89.4-10.6175.8-58.5179.214.900112.3P18 Q19P18-Q21 PolarHBondContact O-N 2.93Å; Q19-Q21 PolarHBondContact O-N 3.41Å
22D77.1Confident68.9Low32 Ų3277.7 Ų77.717%0.17146%0.461CS..SBendtrans-79.7130.5-179.3-163.2-57000110.1Q19 L24 Y25 F81 K85Q19-D22 WeakPolarHBondContact O-CB 3.44Å; Q19-D22 PolarHBondContact O-N 3.4Å; D22-L24 PolarHBondContact O-N 3.02Å; D22-L24 VanDerWaalsContact O-N 3.08Å; D22-L24 WeakPolarHBondContact OD1-CB 3.37Å; D22-L24 PolarHBondContact OD1-N 3.25Å; D22-Y25 VanDerWaalsContact O-CB 3.25Å; D22-Y25 WeakPolarHBondContact O-CB 3.45Å; D22-Y25 PolarHBondContact O-N 3.23Å; D22-F81 HydrophobicContact CB-CE1 4.16Å; D22-F81 HydrophobicContact CB-CZ 3.68Å; D22-K85 WeakPolarHBondContact OD2-CE 3.46Å; D22-K85 IonicContact OD2-NZ 2.71Å; D22-K85 PolarHBondContact OD2-NZ 3.4Å
23P76.1Confident71.1Confident124 Ų12476 Ų7681%0.80545%0.445SS*.Hα-helixtrans-59.4-22.1179.722.8-33.3000113.4Y25P23-Y25 VanDerWaalsContact C-N 3.33Å
24L77.8Confident72.6Confident60 Ų6077.9 Ų77.931%0.31446%0.456SS..Hα-helixtrans-77-18.1174.9-66.1171.8000113.1D22 G26 Y27 F28 F81 K85D22-L24 PolarHBondContact O-N 3.02Å; D22-L24 VanDerWaalsContact O-N 3.08Å; D22-L24 WeakPolarHBondContact OD1-CB 3.37Å; D22-L24 PolarHBondContact OD1-N 3.25Å; L24-G26 PolarHBondContact O-N 3.37Å; L24-Y27 PolarHBondContact O-N 3.36Å; L24-F28 PolarHBondContact O-N 3.24Å; L24-F81 HydrophobicContact CB-CE2 4.23Å; L24-K85 HydrophobicContact CD1-CG 4.32Å
25Y81.7Confident74.6Confident58 Ų5876.8 Ų76.823%0.22744%0.442CS..Hα-helixtrans-67.4-36.7-176.1-171.7-90.1000112.7Q19 Q20 D22 P23 Y27 F28 S29 F81Q19-Y25 HydrophobicContact CB-CD2 4.1Å; Q19-Y25 HydrophobicContact CB-CE2 4.15Å; Q19-Y25 WeakPolarHBondContact O-CB 3.32Å; Q19-Y25 WeakPolarHBondContact O-CD2 3.46Å; Q20-Y25 HydrophobicContact CB-CD1 4.3Å; Q20-Y25 HydrophobicContact CB-CE1 4.31Å; Q20-Y25 HydrophobicContact CG-CD1 3.68Å; Q20-Y25 HydrophobicContact CG-CE1 3.24Å; Q20-Y25 HydrophobicContact CG-CE2 4.21Å; Q20-Y25 HydrophobicContact CG-CG 4.33Å; Q20-Y25 PolarHBondContact NE2-OH 2.9Å; D22-Y25 VanDerWaalsContact O-CB 3.25Å; D22-Y25 WeakPolarHBondContact O-CB 3.45Å; D22-Y25 PolarHBondContact O-N 3.23Å; P23-Y25 VanDerWaalsContact C-N 3.33Å; Y25-Y27 VanDerWaalsContact C-N 3.27Å; Y25-Y27 PolarHBondContact O-N 3.27Å; Y25-F28 HydrophobicContact CE2-CD1 4.45Å; Y25-F28 PolarHBondContact O-N 3.37Å; Y25-S29 WeakPolarHBondContact O-CB 3.19Å; Y25-S29 PolarHBondContact O-N 3.08Å; Y25-F81 VanDerWaalsContact CA-CE2 3.43Å; Y25-F81 HydrophobicContact CD2-CB 4.47Å; Y25-F81 AromaticContact CD2-CD1 3.94Å; Y25-F81 HydrophobicContact CD2-CD1 3.94Å; Y25-F81 AromaticContact CD2-CD2 3.7Å; Y25-F81 HydrophobicContact CD2-CD2 3.7Å; Y25-F81 HydrophobicContact CD2-CE1 4.09Å; Y25-F81 AromaticContact CD2-CE2 3.88Å; Y25-F81 HydrophobicContact CD2-CE2 3.88Å; Y25-F81 AromaticContact CD2-CG 3.74Å; Y25-F81 HydrophobicContact CD2-CG 3.74Å; Y25-F81 HydrophobicContact CD2-CZ 4.07Å; Y25-F81 HydrophobicContact CE2-CD2 4.48Å; Y25-F81 HydrophobicContact CE2-CG 4.23Å; Y25-F81 HydrophobicContact CG-CD2 4.48Å; Y25-F81 HydrophobicContact CG-CE2 4.31Å
26G80.5Confident75.9Confident54 Ų5474.6 Ų74.656%0.55742%0.42SS*.Hα-helixtrans-61.1-39174.200000112L24 Q30L24-G26 PolarHBondContact O-N 3.37Å; G26-Q30 PolarHBondContact O-N 2.77Å
27Y79.5Confident77.6Confident67 Ų6772.8 Ų72.826%0.26341%0.41SS..Hα-helixtrans-70.9-44.8177-160.6-111.7000111.6L24 Y25 S29 Q30 V31 C46 S50 F84L24-Y27 PolarHBondContact O-N 3.36Å; Y25-Y27 VanDerWaalsContact C-N 3.27Å; Y25-Y27 PolarHBondContact O-N 3.27Å; Y27-S29 PolarHBondContact O-N 3.1Å; Y27-Q30 PolarHBondContact O-N 3.4Å; Y27-V31 HydrophobicContact CE1-CG2 4.46Å; Y27-V31 VanDerWaalsContact O-CG2 3.3Å; Y27-V31 WeakPolarHBondContact O-CG2 3.25Å; Y27-V31 PolarHBondContact O-N 3.2Å; Y27-C46 WeakPolarHBondContact CE1-SG 3.35Å; Y27-C46 PolarHBondContact OH-O 3.31Å; Y27-S50 VanDerWaalsContact OH-CA 3.32Å; Y27-S50 WeakPolarHBondContact OH-CA 3.06Å; Y27-S50 VanDerWaalsContact OH-CB 3.24Å; Y27-S50 WeakPolarHBondContact OH-CB 3.45Å; Y27-S50 PolarHBondContact OH-N 3.47Å; Y27-S50 VanDerWaalsContact OH-N 3.11Å; Y27-F84 HydrophobicContact CD1-CE1 4.46Å; Y27-F84 HydrophobicContact CD1-CZ 4.09Å
28F84.6Confident78.9Confident8 Ų870.1 Ų70.14%0.03539%0.393CS..Hα-helixtrans-55.8-51173.3172.5-94.3000111.8L24 Y25 Q30 V31 A32 G36 I38 G80 F81 F84L24-F28 PolarHBondContact O-N 3.24Å; Y25-F28 HydrophobicContact CE2-CD1 4.45Å; Y25-F28 PolarHBondContact O-N 3.37Å; F28-Q30 PolarHBondContact O-N 2.83Å; F28-V31 PolarHBondContact O-N 3.36Å; F28-A32 HydrophobicContact CD1-CB 4.22Å; F28-A32 HydrophobicContact CE1-CB 3.81Å; F28-A32 HydrophobicContact CE2-CB 4.15Å; F28-A32 HydrophobicContact CZ-CB 3.76Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.44Å; F28-A32 PolarHBondContact O-N 3.4Å; F28-G36 WeakPolarHBondContact CZ-O 3.29Å; F28-I38 HydrophobicContact CD2-CD1 3.29Å; F28-I38 HydrophobicContact CD2-CG1 3.93Å; F28-I38 HydrophobicContact CE2-CD1 3.46Å; F28-I38 VanDerWaalsContact CE2-CD1 3.46Å; F28-I38 HydrophobicContact CE2-CG1 3.6Å; F28-I38 HydrophobicContact CG-CD1 4.31Å; F28-I38 HydrophobicContact CZ-CG1 4.37Å; F28-G80 VanDerWaalsContact CE2-C 3.49Å; F28-F81 HydrophobicContact CB-CD2 3.63Å; F28-F81 HydrophobicContact CB-CE2 4.07Å; F28-F81 HydrophobicContact CD1-CB 3.98Å; F28-F81 AromaticContact CD1-CD2 3.88Å; F28-F81 HydrophobicContact CD1-CD2 3.88Å; F28-F81 HydrophobicContact CD1-CG 4.35Å; F28-F81 HydrophobicContact CD2-CB 4.28Å; F28-F81 HydrophobicContact CD2-CD2 4.05Å; F28-F81 HydrophobicContact CE1-CB 3.88Å; F28-F81 HydrophobicContact CE2-CB 4.18Å; F28-F81 HydrophobicContact CG-CB 4.2Å; F28-F81 AromaticContact CG-CD2 3.58Å; F28-F81 HydrophobicContact CG-CD2 3.58Å; F28-F81 HydrophobicContact CG-CE2 4.49Å; F28-F81 HydrophobicContact CG-CG 4.37Å; F28-F81 HydrophobicContact CZ-CB 3.99Å; F28-F81 VanDerWaalsContact CZ-N 3.34Å; F28-F84 HydrophobicContact CB-CD1 4.03Å; F28-F84 HydrophobicContact CB-CE1 4.24Å; F28-F84 HydrophobicContact CD2-CB 3.77Å; F28-F84 AromaticContact CD2-CD1 3.9Å; F28-F84 HydrophobicContact CD2-CD1 3.9Å; F28-F84 AromaticContact CD2-CG 3.83Å; F28-F84 HydrophobicContact CD2-CG 3.83Å; F28-F84 HydrophobicContact CE2-CB 4.12Å; F28-F84 HydrophobicContact CG-CD1 4.45Å
29S84.5Confident80.1Confident59 Ų5966.7 Ų66.741%0.41337%0.372SS..Hα-helixtrans-63.2-29.1-178.3-179.50000112.7Y25 Y27 V31Y25-S29 WeakPolarHBondContact O-CB 3.19Å; Y25-S29 PolarHBondContact O-N 3.08Å; Y27-S29 PolarHBondContact O-N 3.1Å; S29-V31 VanDerWaalsContact C-N 3.35Å
30Q83.6Confident81.3Confident147 Ų14763.6 Ų63.669%0.68736%0.359SS*.Hα-helixtrans-71.6-33.3174.9-172.4178.28.200111.8G26 Y27 F28G26-Q30 PolarHBondContact O-N 2.77Å; Y27-Q30 PolarHBondContact O-N 3.4Å; F28-Q30 PolarHBondContact O-N 2.83Å
31V84.6Confident82.5Confident18 Ų1863.9 Ų63.911%0.10936%0.363CS..Hα-helixtrans-84.9-42.5-177.5174.20000111.6Y27 F28 S29 G33 I38 E42 C46Y27-V31 HydrophobicContact CE1-CG2 4.46Å; Y27-V31 VanDerWaalsContact O-CG2 3.3Å; Y27-V31 WeakPolarHBondContact O-CG2 3.25Å; Y27-V31 PolarHBondContact O-N 3.2Å; F28-V31 PolarHBondContact O-N 3.36Å; S29-V31 VanDerWaalsContact C-N 3.35Å; V31-G33 PolarHBondContact O-N 2.84Å; V31-I38 HydrophobicContact CB-CD1 4.17Å; V31-I38 HydrophobicContact CG1-CD1 3.78Å; V31-I38 HydrophobicContact CG1-CG1 3.97Å; V31-I38 HydrophobicContact CG1-CG2 4.12Å; V31-E42 HydrophobicContact CG1-CB 3.88Å; V31-E42 WeakPolarHBondContact CG1-O 3.3Å; V31-E42 WeakPolarHBondContact O-CG 3.23Å; V31-C46 HydrophobicContact CB-CB 4.23Å; V31-C46 HydrophobicContact CG1-CB 3.56Å; V31-C46 HydrophobicContact CG2-CB 3.58Å
32A85.4Confident83.7Confident1 Ų159.4 Ų59.41%0.00834%0.342CS..SBendtrans-77.3-2.1-177.900000114F28 Q34 G36 Q37 I38F28-A32 HydrophobicContact CD1-CB 4.22Å; F28-A32 HydrophobicContact CE1-CB 3.81Å; F28-A32 HydrophobicContact CE2-CB 4.15Å; F28-A32 HydrophobicContact CZ-CB 3.76Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.44Å; F28-A32 PolarHBondContact O-N 3.4Å; A32-Q34 PolarHBondContact O-N 2.9Å; A32-G36 PolarHBondContact O-N 3.21Å; A32-Q37 VanDerWaalsContact CA-O 3.3Å; A32-Q37 WeakPolarHBondContact CA-O 3.22Å; A32-Q37 WeakPolarHBondContact CB-O 3.35Å; A32-I38 HydrophobicContact CB-CG1 3.7Å
33G83.4Confident84.2Confident42 Ų4257.9 Ų57.943%0.43333%0.334SS..THydrogen-bonded Turntrans53-136176.200000114.8V31V31-G33 PolarHBondContact O-N 2.84Å
34Q79.3Confident84.7Confident208 Ų20854.6 Ų54.697%0.97231%0.308SS*.THydrogen-bonded Turntrans-93.4-20.8-173.4-71.3-171.5-14.700114.4A32 G36A32-Q34 PolarHBondContact O-N 2.9Å; Q34-G36 VanDerWaalsContact C-N 3.3Å
35D84.3Confident84.9Confident111 Ų11159.4 Ų59.459%0.59432%0.322SS*.THydrogen-bonded Turntrans-82.4-13.6178.263.2-0.5000111.9Q37D35-Q37 PolarHBondContact O-N 2.89Å; D35-Q37 PolarHBondContact OD1-N 2.85Å
36G84.1Confident85Confident37 Ų3756.7 Ų56.738%0.38131%0.311SS..THydrogen-bonded Turntrans7120175.400000112.6F28 A32 Q34F28-G36 WeakPolarHBondContact CZ-O 3.29Å; A32-G36 PolarHBondContact O-N 3.21Å; Q34-G36 VanDerWaalsContact C-N 3.3Å
37Q87.6Confident84.9Confident53 Ų5354.2 Ų54.225%0.24829%0.285CS..  trans-128.8149.3178.8-67.3-7319.600109.4A32 D35 T78 M79 G80A32-Q37 VanDerWaalsContact CA-O 3.3Å; A32-Q37 WeakPolarHBondContact CA-O 3.22Å; A32-Q37 WeakPolarHBondContact CB-O 3.35Å; D35-Q37 PolarHBondContact O-N 2.89Å; D35-Q37 PolarHBondContact OD1-N 2.85Å; Q37-T78 HydrophobicContact CB-CG2 4.41Å; Q37-M79 VanDerWaalsContact OE1-C 3.28Å; Q37-M79 PolarHBondContact OE1-O 2.79Å; Q37-G80 VanDerWaalsContact OE1-CA 3.27Å
38I88.6Confident84.9Confident0 Ų054 Ų540%029%0.291CS..BIsolated β-bridgetrans-103.3118.2177.5-65179.7000109.4F28 V31 A32 E42 L43 M79 F84F28-I38 HydrophobicContact CD2-CD1 3.29Å; F28-I38 HydrophobicContact CD2-CG1 3.93Å; F28-I38 HydrophobicContact CE2-CD1 3.46Å; F28-I38 VanDerWaalsContact CE2-CD1 3.46Å; F28-I38 HydrophobicContact CE2-CG1 3.6Å; F28-I38 HydrophobicContact CG-CD1 4.31Å; F28-I38 HydrophobicContact CZ-CG1 4.37Å; V31-I38 HydrophobicContact CB-CD1 4.17Å; V31-I38 HydrophobicContact CG1-CD1 3.78Å; V31-I38 HydrophobicContact CG1-CG1 3.97Å; V31-I38 HydrophobicContact CG1-CG2 4.12Å; A32-I38 HydrophobicContact CB-CG1 3.7Å; I38-E42 HydrophobicContact CG2-CB 4.07Å; I38-L43 HydrophobicContact CG2-CB 3.73Å; I38-L43 HydrophobicContact CG2-CD1 4.48Å; I38-M79 HydrophobicContact CB-CB 4.1Å; I38-M79 PolarHBondContact N-O 2.95Å; I38-M79 PolarHBondContact O-N 3.06Å; I38-F84 HydrophobicContact CD1-CB 4.35Å; I38-F84 HydrophobicContact CD1-CD2 3.54Å; I38-F84 HydrophobicContact CD1-CE2 3.92Å; I38-F84 HydrophobicContact CD1-CG 3.93Å
39S89.6Confident84.3Confident37 Ų3760.6 Ų60.626%0.25932%0.322SS..  trans-79166.3168.265.70000112.2D41 E42 L43 I68S39-D41 VanDerWaalsContact C-N 3.27Å; S39-D41 PolarHBondContact O-N 2.76Å; S39-E42 VanDerWaalsContact CB-OE2 3.31Å; S39-E42 WeakPolarHBondContact CB-OE2 3.46Å; S39-E42 PolarHBondContact N-OE2 3Å; S39-E42 PolarHBondContact O-N 3.24Å; S39-E42 VanDerWaalsContact OG-CD 3.24Å; S39-E42 WeakPolarHBondContact OG-CG 3.36Å; S39-E42 PolarHBondContact OG-N 3.21Å; S39-E42 PolarHBondContact OG-OE2 3.48Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 3.26Å; S39-I68 VanDerWaalsContact C-CD1 3.45Å
40A87.6Confident83.6Confident11 Ų1159.8 Ų59.89%0.09132%0.317CS..Hα-helixtrans-60.3-36.6178.300000113L43 Q44 L61 C64 R65 I68A40-L43 PolarHBondContact O-N 3.19Å; A40-Q44 WeakPolarHBondContact O-CB 3.45Å; A40-Q44 PolarHBondContact O-N 3.38Å; A40-L61 HydrophobicContact CB-CD1 3.84Å; A40-C64 HydrophobicContact CB-CB 4.4Å; A40-R65 HydrophobicContact CB-CB 4.38Å; A40-R65 HydrophobicContact CB-CG 3.42Å; A40-R65 VanDerWaalsContact CB-CG 3.42Å; A40-I68 VanDerWaalsContact CA-CD1 3.41Å; A40-I68 HydrophobicContact CB-CD1 3.98Å; A40-I68 VanDerWaalsContact N-CD1 3.27Å
41D87.9Confident82.7Confident74 Ų7454.4 Ų54.440%0.39630%0.3SS..Hα-helixtrans-67.1-41.2176.6-67.8-94000111.8S39 Q44 R45S39-D41 VanDerWaalsContact C-N 3.27Å; S39-D41 PolarHBondContact O-N 2.76Å; D41-Q44 PolarHBondContact O-N 2.97Å; D41-R45 WeakPolarHBondContact O-CG 3.31Å; D41-R45 PolarHBondContact O-N 3.01Å; D41-R45 VanDerWaalsContact O-N 3.12Å
42E89.8Confident81.8Confident46 Ų4655.6 Ų55.622%0.21531%0.305CS..Hα-helixtrans-68.2-41.2175.5-73.4161.7152.400111.4V31 I38 S39 Q44 R45 C46V31-E42 HydrophobicContact CG1-CB 3.88Å; V31-E42 WeakPolarHBondContact CG1-O 3.3Å; V31-E42 WeakPolarHBondContact O-CG 3.23Å; I38-E42 HydrophobicContact CG2-CB 4.07Å; S39-E42 VanDerWaalsContact CB-OE2 3.31Å; S39-E42 WeakPolarHBondContact CB-OE2 3.46Å; S39-E42 PolarHBondContact N-OE2 3Å; S39-E42 PolarHBondContact O-N 3.24Å; S39-E42 VanDerWaalsContact OG-CD 3.24Å; S39-E42 WeakPolarHBondContact OG-CG 3.36Å; S39-E42 PolarHBondContact OG-N 3.21Å; S39-E42 PolarHBondContact OG-OE2 3.48Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 2.76Å; E42-R45 PolarHBondContact O-N 3.28Å; E42-C46 WeakPolarHBondContact O-CB 3.48Å; E42-C46 PolarHBondContact O-N 3.33Å
43L87.3Confident80.6Confident0 Ų055.9 Ų55.90%031%0.307CS..Hα-helixtrans-60.6-44.5174.7-177.261.6000111I38 S39 A40 R45 C46 L47 C64 M67 I68 F84 L87I38-L43 HydrophobicContact CG2-CB 3.73Å; I38-L43 HydrophobicContact CG2-CD1 4.48Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 3.26Å; A40-L43 PolarHBondContact O-N 3.19Å; L43-R45 PolarHBondContact O-N 3.4Å; L43-C46 WeakPolarHBondContact O-CB 3.33Å; L43-C46 PolarHBondContact O-N 3.18Å; L43-L47 HydrophobicContact CD1-CD1 4.09Å; L43-L47 HydrophobicContact CD1-CD2 4.39Å; L43-L47 HydrophobicContact CD1-CG 3.97Å; L43-L47 HydrophobicContact CD2-CD1 4.46Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.2Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 2.83Å; L43-C64 HydrophobicContact CD2-CB 4.2Å; L43-C64 HydrophobicContact CG-CB 4.46Å; L43-M67 HydrophobicContact CD2-CB 4.06Å; L43-I68 HydrophobicContact CB-CD1 4.25Å; L43-I68 HydrophobicContact CD2-CD1 4.07Å; L43-I68 HydrophobicContact CD2-CG1 3.68Å; L43-F84 HydrophobicContact CD1-CD2 4.42Å; L43-F84 HydrophobicContact CD1-CE2 4.22Å; L43-L87 HydrophobicContact CD1-CD2 3.65Å; L43-L87 HydrophobicContact CD2-CD2 3.79Å; L43-L87 HydrophobicContact CG-CD2 4.36Å
44Q86.9Confident79.8Confident56 Ų5656.2 Ų56.226%0.26231%0.31SS..Hα-helixtrans-59.8-47.1178.3-168.9-169.825.800111.6A40 D41 E42 C46 L47 T48 F59 C64A40-Q44 WeakPolarHBondContact O-CB 3.45Å; A40-Q44 PolarHBondContact O-N 3.38Å; D41-Q44 PolarHBondContact O-N 2.97Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 2.76Å; Q44-C46 VanDerWaalsContact C-N 3.33Å; Q44-C46 PolarHBondContact O-N 3.37Å; Q44-L47 PolarHBondContact O-N 3.5Å; Q44-T48 WeakPolarHBondContact O-CB 3.42Å; Q44-T48 PolarHBondContact O-N 3.48Å; Q44-T48 PolarHBondContact O-OG1 2.87Å; Q44-F59 WeakPolarHBondContact CG-O 3.49Å; Q44-F59 PolarHBondContact NE2-O 2.8Å; Q44-C64 VanDerWaalsContact CA-SG 3.57Å; Q44-C64 HydrophobicContact CB-CB 4.44Å
45R83.1Confident79Confident160 Ų16051.2 Ų51.260%0.60430%0.299SS*.Hα-helixtrans-61.6-43.9176.9-70.6172.9-174.2176.34.7111D41 E42 L43 T48 Q49D41-R45 WeakPolarHBondContact O-CG 3.31Å; D41-R45 PolarHBondContact O-N 3.01Å; D41-R45 VanDerWaalsContact O-N 3.12Å; E42-R45 PolarHBondContact O-N 3.28Å; L43-R45 PolarHBondContact O-N 3.4Å; R45-T48 PolarHBondContact O-N 3.31Å; R45-Q49 WeakPolarHBondContact O-CB 3.5Å; R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.46Å; R45-Q49 PolarHBondContact O-N 2.64Å
46C82.2Confident78.3Confident2 Ų247.3 Ų47.31%0.01428%0.276CS..Hα-helixtrans-59.2-51.8176.7167.30000112.5Y27 V31 E42 L43 Q44 T48 Q49 S50Y27-C46 WeakPolarHBondContact CE1-SG 3.35Å; Y27-C46 PolarHBondContact OH-O 3.31Å; V31-C46 HydrophobicContact CB-CB 4.23Å; V31-C46 HydrophobicContact CG1-CB 3.56Å; V31-C46 HydrophobicContact CG2-CB 3.58Å; E42-C46 WeakPolarHBondContact O-CB 3.48Å; E42-C46 PolarHBondContact O-N 3.33Å; L43-C46 WeakPolarHBondContact O-CB 3.33Å; L43-C46 PolarHBondContact O-N 3.18Å; Q44-C46 VanDerWaalsContact C-N 3.33Å; Q44-C46 PolarHBondContact O-N 3.37Å; C46-T48 PolarHBondContact O-N 2.84Å; C46-Q49 PolarHBondContact O-N 3.2Å; C46-S50 VanDerWaalsContact O-CB 3.28Å; C46-S50 WeakPolarHBondContact O-CB 3.4Å; C46-S50 PolarHBondContact O-N 3.01Å; C46-S50 PolarHBondContact O-OG 3.42Å
47L80.1Confident77.8Confident1 Ų152.7 Ų52.71%0.00529%0.291CS..Hα-helixtrans-63.8-31179.4-67.4177.7000112.4L43 Q44 S50 M52 F59 M67 L91L43-L47 HydrophobicContact CD1-CD1 4.09Å; L43-L47 HydrophobicContact CD1-CD2 4.39Å; L43-L47 HydrophobicContact CD1-CG 3.97Å; L43-L47 HydrophobicContact CD2-CD1 4.46Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.2Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.3Å; L43-L47 WeakPolarHBondContact O-CG 3.5Å; L43-L47 PolarHBondContact O-N 2.83Å; Q44-L47 PolarHBondContact O-N 3.5Å; L47-S50 WeakPolarHBondContact CA-OG 3.4Å; L47-S50 PolarHBondContact O-OG 2.94Å; L47-M52 HydrophobicContact CD2-CB 4.09Å; L47-M52 HydrophobicContact CD2-CG 4.26Å; L47-M52 PolarHBondContact O-N 2.71Å; L47-F59 HydrophobicContact CB-CD2 3.72Å; L47-F59 HydrophobicContact CB-CE2 4.09Å; L47-F59 HydrophobicContact CD1-CD2 3.82Å; L47-F59 HydrophobicContact CD1-CE2 4.13Å; L47-F59 HydrophobicContact CD1-CG 4.15Å; L47-F59 HydrophobicContact CG-CD2 4.37Å; L47-M67 HydrophobicContact CD1-CE 4.49Å; L47-M67 HydrophobicContact CD1-SD 3.92Å; L47-L91 HydrophobicContact CD1-CD1 4.44Å; L47-L91 HydrophobicContact CD2-CD1 3.46Å; L47-L91 VanDerWaalsContact CD2-CD1 3.46Å
48T77.8Confident77.3Confident64 Ų6453.3 Ų53.339%0.39330%0.299SS..Hα-helixtrans-73-48.2175.1-53.70000111.3Q44 R45 C46 G51 P58Q44-T48 WeakPolarHBondContact O-CB 3.42Å; Q44-T48 PolarHBondContact O-N 3.48Å; Q44-T48 PolarHBondContact O-OG1 2.87Å; R45-T48 PolarHBondContact O-N 3.31Å; C46-T48 PolarHBondContact O-N 2.84Å; T48-G51 PolarHBondContact O-N 3.08Å; T48-P58 HydrophobicContact CG2-CB 4.42Å
49Q72.8Confident77Confident145 Ų14553.3 Ų53.368%0.67830%0.3SS*.Hα-helixtrans-72.3-33-176.9-72.9178.99.500113.5R45 C46 G51R45-Q49 WeakPolarHBondContact O-CB 3.5Å; R45-Q49 VanDerWaalsContact O-CG 3.27Å; R45-Q49 WeakPolarHBondContact O-CG 3.46Å; R45-Q49 PolarHBondContact O-N 2.64Å; C46-Q49 PolarHBondContact O-N 3.2Å; Q49-G51 PolarHBondContact O-N 3.42Å
50S68.9Low76.8Confident43 Ų4353.2 Ų53.230%0.30130%0.299SS..THydrogen-bonded Turntrans-67.1-11.4175.9500000113.1Y27 C46 L47 M52Y27-S50 VanDerWaalsContact OH-CA 3.32Å; Y27-S50 WeakPolarHBondContact OH-CA 3.06Å; Y27-S50 VanDerWaalsContact OH-CB 3.24Å; Y27-S50 WeakPolarHBondContact OH-CB 3.45Å; Y27-S50 PolarHBondContact OH-N 3.47Å; Y27-S50 VanDerWaalsContact OH-N 3.11Å; C46-S50 VanDerWaalsContact O-CB 3.28Å; C46-S50 WeakPolarHBondContact O-CB 3.4Å; C46-S50 PolarHBondContact O-N 3.01Å; C46-S50 PolarHBondContact O-OG 3.42Å; L47-S50 WeakPolarHBondContact CA-OG 3.4Å; L47-S50 PolarHBondContact O-OG 2.94Å; S50-M52 PolarHBondContact O-N 2.74Å; S50-M52 WeakPolarHBondContact OG-CB 3.16Å; S50-M52 WeakPolarHBondContact OG-CG 3.16Å; S50-M52 PolarHBondContact OG-N 3.47Å
51G66Low76.7Confident33 Ų3354.8 Ų54.834%0.3431%0.306SS..THydrogen-bonded Turntrans62.724-168.700000111.7T48 Q49 S53 G54 K95T48-G51 PolarHBondContact O-N 3.08Å; Q49-G51 PolarHBondContact O-N 3.42Å; G51-S53 PolarHBondContact O-N 3.48Å; G51-G54 VanDerWaalsContact C-N 3.32Å; G51-G54 VanDerWaalsContact O-CA 3.27Å; G51-G54 WeakPolarHBondContact O-CA 3.32Å; G51-G54 PolarHBondContact O-N 2.99Å; G51-K95 PolarHBondContact O-NZ 3.47Å; G51-K95 VanDerWaalsContact O-NZ 3.11Å
52M65.1Low76.5Confident44 Ų4458.2 Ų58.222%0.21732%0.319CS..SBendtrans-61.9-37.7173.6-81.3-67164.600110.5L47 S50 G54 K95L47-M52 HydrophobicContact CD2-CB 4.09Å; L47-M52 HydrophobicContact CD2-CG 4.26Å; L47-M52 PolarHBondContact O-N 2.71Å; S50-M52 PolarHBondContact O-N 2.74Å; S50-M52 WeakPolarHBondContact OG-CB 3.16Å; S50-M52 WeakPolarHBondContact OG-CG 3.16Å; S50-M52 PolarHBondContact OG-N 3.47Å; M52-G54 PolarHBondContact O-N 2.89Å; M52-K95 WeakPolarHBondContact O-CD 3.45Å; M52-K95 WeakPolarHBondContact O-CE 3.36Å; M52-K95 PolarHBondContact O-NZ 2.82Å
53S60Low76.3Confident6 Ų656.1 Ų56.14%0.04231%0.31CS..SBendtrans-68.5-21.5167.1-1480000113.4G51 S55 Y56 Q57G51-S53 PolarHBondContact O-N 3.48Å; S53-S55 PolarHBondContact O-N 2.9Å; S53-Y56 WeakPolarHBondContact O-CA 3.35Å; S53-Y56 WeakPolarHBondContact O-CB 3.4Å; S53-Y56 WeakPolarHBondContact O-CD2 3.32Å; S53-Y56 PolarHBondContact O-N 3.24Å; S53-Y56 WeakPolarHBondContact OG-CB 3.24Å; S53-Y56 PolarHBondContact OG-O 3.39Å; S53-Q57 PolarHBondContact OG-O 3.21Å
54G67.1Low76.3Confident49 Ų4956.1 Ų56.151%0.50531%0.31SS..THydrogen-bonded Turntrans62.9-121178.700000111.4G51 M52 Y56G51-G54 VanDerWaalsContact C-N 3.32Å; G51-G54 VanDerWaalsContact O-CA 3.27Å; G51-G54 WeakPolarHBondContact O-CA 3.32Å; G51-G54 PolarHBondContact O-N 2.99Å; M52-G54 PolarHBondContact O-N 2.89Å; G54-Y56 VanDerWaalsContact C-N 3.32Å
55S62.6Low76.3Confident104 Ų10459.6 Ų59.673%0.72732%0.32SS*.THydrogen-bonded Turntrans-83.5-5.4172.351.50000113.7S53S53-S55 PolarHBondContact O-N 2.9Å
56Y70.4Confident76.4Confident28 Ų2853 Ų5311%0.1130%0.297CS..SBendtrans-82.7162.1-177.4-49.3-54.8000111.7S53 G54 F98 D102 F145S53-Y56 WeakPolarHBondContact O-CA 3.35Å; S53-Y56 WeakPolarHBondContact O-CB 3.4Å; S53-Y56 WeakPolarHBondContact O-CD2 3.32Å; S53-Y56 PolarHBondContact O-N 3.24Å; S53-Y56 WeakPolarHBondContact OG-CB 3.24Å; S53-Y56 PolarHBondContact OG-O 3.39Å; G54-Y56 VanDerWaalsContact C-N 3.32Å; Y56-F98 HydrophobicContact CD1-CE1 4.49Å; Y56-F98 AromaticContact CE1-CE1 3.98Å; Y56-F98 HydrophobicContact CE1-CE1 3.98Å; Y56-F98 HydrophobicContact CE2-CD1 4.04Å; Y56-F98 HydrophobicContact CE2-CE1 4.12Å; Y56-F98 AromaticContact CZ-CD1 3.9Å; Y56-F98 AromaticContact CZ-CE1 3.73Å; Y56-D102 WeakPolarHBondContact CE1-OD2 3.46Å; Y56-D102 VanDerWaalsContact CZ-OD2 3.31Å; Y56-D102 PolarHBondContact OH-OD2 2.86Å; Y56-F145 HydrophobicContact CD2-CB 4.02Å; Y56-F145 AromaticContact CD2-CD1 3.76Å; Y56-F145 HydrophobicContact CD2-CD1 3.76Å; Y56-F145 HydrophobicContact CD2-CD2 4.38Å; Y56-F145 HydrophobicContact CD2-CE1 4.31Å; Y56-F145 AromaticContact CD2-CG 3.79Å; Y56-F145 HydrophobicContact CD2-CG 3.79Å; Y56-F145 HydrophobicContact CE2-CG 4.42Å; Y56-F145 HydrophobicContact CG-CB 3.92Å; Y56-F145 HydrophobicContact CG-CD1 4.24Å; Y56-F145 HydrophobicContact CG-CG 4.19Å
57Q73.1Confident76.6Confident150 Ų15053 Ų5370%0.70130%0.297SS*.PPolyproline II helixtrans-58.6148.2179-69.9-64.3-44.300111.2S53S53-Q57 PolarHBondContact OG-O 3.21Å
58P77.6Confident76.8Confident66 Ų6653 Ų5343%0.42930%0.297SS..PPolyproline II helixtrans-56.7145.3174.8-20.831.9000111.1T48 S60T48-P58 HydrophobicContact CG2-CB 4.42Å; P58-S60 PolarHBondContact O-N 2.99Å
59F82Confident77.1Confident1 Ų153.8 Ų53.80%0.00430%0.298CS..PPolyproline II helixtrans-59.9138.1174.5-71.7-85.2000110.7Q44 L47 M67 L91 F145 D146 V149Q44-F59 WeakPolarHBondContact CG-O 3.49Å; Q44-F59 PolarHBondContact NE2-O 2.8Å; L47-F59 HydrophobicContact CB-CD2 3.72Å; L47-F59 HydrophobicContact CB-CE2 4.09Å; L47-F59 HydrophobicContact CD1-CD2 3.82Å; L47-F59 HydrophobicContact CD1-CE2 4.13Å; L47-F59 HydrophobicContact CD1-CG 4.15Å; L47-F59 HydrophobicContact CG-CD2 4.37Å; F59-M67 HydrophobicContact CD1-CE 3.45Å; F59-M67 VanDerWaalsContact CD1-CE 3.45Å; F59-M67 HydrophobicContact CE1-CE 3.57Å; F59-M67 HydrophobicContact CG-CE 4.25Å; F59-M67 HydrophobicContact CZ-CE 4.44Å; F59-L91 HydrophobicContact CZ-CD2 4.4Å; F59-F145 HydrophobicContact CE1-CD1 4.37Å; F59-F145 HydrophobicContact CE1-CE1 4.18Å; F59-F145 HydrophobicContact CE2-CE1 4.04Å; F59-F145 AromaticContact CZ-CD1 3.92Å; F59-F145 HydrophobicContact CZ-CD1 3.92Å; F59-F145 AromaticContact CZ-CE1 3.39Å; F59-F145 HydrophobicContact CZ-CE1 3.39Å; F59-F145 HydrophobicContact CZ-CZ 4.13Å; F59-D146 HydrophobicContact CD1-CB 3.65Å; F59-D146 HydrophobicContact CE1-CB 4.15Å; F59-D146 HydrophobicContact CG-CB 4.36Å; F59-V149 HydrophobicContact CE1-CB 3.87Å; F59-V149 HydrophobicContact CE1-CG1 4.07Å; F59-V149 HydrophobicContact CE1-CG2 3.87Å; F59-V149 HydrophobicContact CZ-CG2 4.2Å
60S85.1Confident77.3Confident35 Ų3548.5 Ų48.525%0.24527%0.274CS..PPolyproline II helixtrans-66.2154.8169.878.20000111.1P58 E62 S63 C64P58-S60 PolarHBondContact O-N 2.99Å; S60-E62 PolarHBondContact O-N 2.92Å; S60-S63 WeakPolarHBondContact O-CB 3.47Å; S60-S63 PolarHBondContact O-N 3.4Å; S60-S63 WeakPolarHBondContact OG-CB 3.33Å; S60-S63 PolarHBondContact OG-N 3.24Å; S60-S63 VanDerWaalsContact OG-N 3.12Å; S60-S63 PolarHBondContact OG-OG 2.91Å; S60-C64 PolarHBondContact O-N 3.02Å; S60-C64 VanDerWaalsContact O-N 3.07Å; S60-C64 PolarHBondContact O-SG 3.45Å
61L85.3Confident77.8Confident44 Ų4447.3 Ų47.323%0.2327%0.265CS..Hα-helixtrans-63.3-32.7176.8-173.763.7000111.4A40 C64 R65A40-L61 HydrophobicContact CB-CD1 3.84Å; L61-C64 PolarHBondContact O-N 3.11Å; L61-R65 WeakPolarHBondContact O-CG 3.27Å; L61-R65 PolarHBondContact O-N 3.07Å
62E84.6Confident78.5Confident145 Ų14546.8 Ų46.868%0.67825%0.254SS*.Hα-helixtrans-64.2-44.9175.1-64.1-172.2156.800111.5S60 C64 R65 L66S60-E62 PolarHBondContact O-N 2.92Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 3.18Å; E62-R65 PolarHBondContact O-N 3.02Å; E62-L66 WeakPolarHBondContact O-CB 3.35Å; E62-L66 PolarHBondContact O-N 3.5Å
63S85Confident78.8Confident3 Ų353.1 Ų53.12%0.02128%0.276CS..Hα-helixtrans-59.4-40.3173.9-63.60000111.6S60 L66 M67 S150S60-S63 WeakPolarHBondContact O-CB 3.47Å; S60-S63 PolarHBondContact O-N 3.4Å; S60-S63 WeakPolarHBondContact OG-CB 3.33Å; S60-S63 PolarHBondContact OG-N 3.24Å; S60-S63 VanDerWaalsContact OG-N 3.12Å; S60-S63 PolarHBondContact OG-OG 2.91Å; S63-L66 PolarHBondContact O-N 3.26Å; S63-M67 VanDerWaalsContact O-CG 3.28Å; S63-M67 WeakPolarHBondContact O-CG 3.42Å; S63-M67 PolarHBondContact O-N 3.28Å; S63-S150 WeakPolarHBondContact CA-OG 3.42Å; S63-S150 WeakPolarHBondContact CB-OG 3.49Å; S63-S150 PolarHBondContact OG-OG 3.34Å
64C87.4Confident79.6Confident0 Ų057.4 Ų57.40%030%0.298CS..Hα-helixtrans-67.4-43.4177.1-61.80000112.3A40 L43 Q44 S60 L61 E62 L66 M67 I68A40-C64 HydrophobicContact CB-CB 4.4Å; L43-C64 HydrophobicContact CD2-CB 4.2Å; L43-C64 HydrophobicContact CG-CB 4.46Å; Q44-C64 VanDerWaalsContact CA-SG 3.57Å; Q44-C64 HydrophobicContact CB-CB 4.44Å; S60-C64 PolarHBondContact O-N 3.02Å; S60-C64 VanDerWaalsContact O-N 3.07Å; S60-C64 PolarHBondContact O-SG 3.45Å; L61-C64 PolarHBondContact O-N 3.11Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 3.18Å; C64-L66 VanDerWaalsContact C-N 3.3Å; C64-L66 PolarHBondContact O-N 3.29Å; C64-M67 WeakPolarHBondContact O-CB 3.28Å; C64-M67 PolarHBondContact O-N 2.85Å; C64-I68 WeakPolarHBondContact O-CG1 3.36Å; C64-I68 PolarHBondContact O-N 2.91Å
65R86.3Confident80Confident128 Ų12862.6 Ų62.648%0.48331%0.311SS..Hα-helixtrans-59.9-43.3174.4-73.6174.4-178.6170.60.4111.5A40 L61 E62 I68 N69A40-R65 HydrophobicContact CB-CB 4.38Å; A40-R65 HydrophobicContact CB-CG 3.42Å; A40-R65 VanDerWaalsContact CB-CG 3.42Å; L61-R65 WeakPolarHBondContact O-CG 3.27Å; L61-R65 PolarHBondContact O-N 3.07Å; E62-R65 PolarHBondContact O-N 3.02Å; R65-I68 PolarHBondContact O-N 3.24Å; R65-N69 WeakPolarHBondContact O-CB 3.4Å; R65-N69 VanDerWaalsContact O-CG 3.31Å; R65-N69 PolarHBondContact O-N 3.49Å
66L85.4Confident80.7Confident23 Ų2360.2 Ų60.212%0.1229%0.294CS..Hα-helixtrans-62.7-43177-171.2143.9000110.7E62 S63 C64 I68 M70 V153E62-L66 WeakPolarHBondContact O-CB 3.35Å; E62-L66 PolarHBondContact O-N 3.5Å; S63-L66 PolarHBondContact O-N 3.26Å; C64-L66 VanDerWaalsContact C-N 3.3Å; C64-L66 PolarHBondContact O-N 3.29Å; L66-I68 VanDerWaalsContact C-N 3.33Å; L66-I68 PolarHBondContact O-N 3.45Å; L66-M70 HydrophobicContact CD1-CE 4.03Å; L66-M70 HydrophobicContact CD2-CE 3.6Å; L66-M70 HydrophobicContact CD2-CG 4.36Å; L66-M70 HydrophobicContact CG-CE 3.52Å; L66-M70 HydrophobicContact CG-CG 4.5Å; L66-M70 WeakPolarHBondContact O-CB 3.45Å; L66-M70 WeakPolarHBondContact O-CG 3.27Å; L66-M70 PolarHBondContact O-N 3.45Å; L66-V153 HydrophobicContact CD2-CB 3.63Å; L66-V153 HydrophobicContact CD2-CG1 3.66Å; L66-V153 HydrophobicContact CD2-CG2 4.47Å
67M85.6Confident81.1Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-58.8-41.3173.6-72.6176.3-142.500113.4L43 L47 F59 S63 C64 L87 L91 V149 V153L43-M67 HydrophobicContact CD2-CB 4.06Å; L47-M67 HydrophobicContact CD1-CE 4.49Å; L47-M67 HydrophobicContact CD1-SD 3.92Å; F59-M67 HydrophobicContact CD1-CE 3.45Å; F59-M67 VanDerWaalsContact CD1-CE 3.45Å; F59-M67 HydrophobicContact CE1-CE 3.57Å; F59-M67 HydrophobicContact CG-CE 4.25Å; F59-M67 HydrophobicContact CZ-CE 4.44Å; S63-M67 VanDerWaalsContact O-CG 3.28Å; S63-M67 WeakPolarHBondContact O-CG 3.42Å; S63-M67 PolarHBondContact O-N 3.28Å; C64-M67 WeakPolarHBondContact O-CB 3.28Å; C64-M67 PolarHBondContact O-N 2.85Å; M67-L87 HydrophobicContact CB-CD1 3.96Å; M67-L87 HydrophobicContact CB-CD2 4.31Å; M67-L87 HydrophobicContact CG-CD1 4.05Å; M67-L87 HydrophobicContact SD-CD1 4.11Å; M67-L91 HydrophobicContact SD-CD2 4.13Å; M67-V149 HydrophobicContact CE-CB 4.26Å; M67-V149 HydrophobicContact CE-CG1 3.41Å; M67-V149 VanDerWaalsContact CE-CG1 3.41Å; M67-V149 HydrophobicContact SD-CG1 4.2Å; M67-V153 HydrophobicContact CG-CG2 3.87Å
68I85.7Confident81.7Confident2 Ų255.5 Ų55.51%0.0129%0.287CS..Hα-helixtrans-66.5-57.7178-67.5175.7000110.3S39 A40 L43 C64 R65 L66 M70 L71 D72 M79S39-I68 VanDerWaalsContact C-CD1 3.45Å; A40-I68 VanDerWaalsContact CA-CD1 3.41Å; A40-I68 HydrophobicContact CB-CD1 3.98Å; A40-I68 VanDerWaalsContact N-CD1 3.27Å; L43-I68 HydrophobicContact CB-CD1 4.25Å; L43-I68 HydrophobicContact CD2-CD1 4.07Å; L43-I68 HydrophobicContact CD2-CG1 3.68Å; C64-I68 WeakPolarHBondContact O-CG1 3.36Å; C64-I68 PolarHBondContact O-N 2.91Å; R65-I68 PolarHBondContact O-N 3.24Å; L66-I68 VanDerWaalsContact C-N 3.33Å; L66-I68 PolarHBondContact O-N 3.45Å; I68-M70 PolarHBondContact O-N 2.94Å; I68-L71 PolarHBondContact O-N 3.33Å; I68-D72 HydrophobicContact CG2-CB 4.47Å; I68-D72 WeakPolarHBondContact O-CB 3.5Å; I68-D72 PolarHBondContact O-N 3.12Å; I68-M79 HydrophobicContact CB-CE 4.41Å; I68-M79 HydrophobicContact CG1-CB 4.17Å; I68-M79 HydrophobicContact CG1-CE 3.96Å; I68-M79 HydrophobicContact CG2-CB 4.32Å
69N82.7Confident82.1Confident80 Ų8052.3 Ų52.343%0.42827%0.267SS..Hα-helixtrans-53.2-27.9-176.4-72.8-3.1000113.7R65R65-N69 WeakPolarHBondContact O-CB 3.4Å; R65-N69 VanDerWaalsContact O-CG 3.31Å; R65-N69 PolarHBondContact O-N 3.49Å
70M77.8Confident82.4Confident34 Ų3453 Ų5317%0.16727%0.274CS..Hα-helixtrans-87.3-22.3-174.2-61.5-88.9-157.700113L66 I68 V153 R154 A157 V187L66-M70 HydrophobicContact CD1-CE 4.03Å; L66-M70 HydrophobicContact CD2-CE 3.6Å; L66-M70 HydrophobicContact CD2-CG 4.36Å; L66-M70 HydrophobicContact CG-CE 3.52Å; L66-M70 HydrophobicContact CG-CG 4.5Å; L66-M70 WeakPolarHBondContact O-CB 3.45Å; L66-M70 WeakPolarHBondContact O-CG 3.27Å; L66-M70 PolarHBondContact O-N 3.45Å; I68-M70 PolarHBondContact O-N 2.94Å; M70-V153 HydrophobicContact CB-CG1 3.48Å; M70-V153 VanDerWaalsContact CB-CG1 3.48Å; M70-V153 HydrophobicContact CE-CG1 4.39Å; M70-V153 HydrophobicContact CG-CG1 3.47Å; M70-V153 VanDerWaalsContact CG-CG1 3.47Å; M70-V153 HydrophobicContact SD-CG1 4.38Å; M70-R154 HydrophobicContact CE-CB 3.94Å; M70-R154 HydrophobicContact CE-CG 4.26Å; M70-A157 HydrophobicContact CB-CB 4.3Å; M70-A157 HydrophobicContact CE-CB 4.37Å; M70-A157 HydrophobicContact CG-CB 4.24Å; M70-A157 HydrophobicContact SD-CB 3.02Å; M70-A157 WeakPolarHBondContact SD-CB 3.4Å; M70-V187 HydrophobicContact CE-CB 3.91Å; M70-V187 HydrophobicContact CE-CG1 3.27Å; M70-V187 HydrophobicContact CE-CG2 4.43Å; M70-V187 WeakPolarHBondContact CE-OXT 3.42Å; M70-V187 HydrophobicContact SD-CB 4.04Å; M70-V187 HydrophobicContact SD-CG1 3.67Å; M70-V187 HydrophobicContact SD-CG2 3.9Å
71L78.2Confident82.5Confident19 Ų1952 Ų5210%0.09927%0.265CS..Hα-helixtrans-106-16.7177.3-71168.3000112.4I68 R73 M79 E83 D86 L87I68-L71 PolarHBondContact O-N 3.33Å; L71-R73 WeakPolarHBondContact O-CG 3.02Å; L71-R73 PolarHBondContact O-N 3.46Å; L71-M79 HydrophobicContact CB-CE 4.01Å; L71-M79 HydrophobicContact CD1-CE 3.96Å; L71-E83 HydrophobicContact CB-CB 4.35Å; L71-E83 WeakPolarHBondContact O-CG 3.38Å; L71-D86 HydrophobicContact CD2-CB 4.26Å; L71-L87 HydrophobicContact CD1-CB 3.36Å; L71-L87 HydrophobicContact CD1-CD1 3.54Å; L71-L87 HydrophobicContact CD1-CG 3.94Å
72D80.7Confident82.5Confident22 Ų2254.2 Ų54.212%0.11828%0.277CS..  trans-62.693.6172.6179.67.5000109.9I68 D74 M75 S76 G77 E83I68-D72 HydrophobicContact CG2-CB 4.47Å; I68-D72 WeakPolarHBondContact O-CB 3.5Å; I68-D72 PolarHBondContact O-N 3.12Å; D72-D74 PolarHBondContact OD1-N 2.85Å; D72-M75 VanDerWaalsContact OD1-CA 3.22Å; D72-M75 WeakPolarHBondContact OD1-CA 3.4Å; D72-M75 PolarHBondContact OD1-N 3.33Å; D72-M75 VanDerWaalsContact OD2-CA 3.29Å; D72-M75 WeakPolarHBondContact OD2-CA 3.28Å; D72-S76 PolarHBondContact OD1-N 3.1Å; D72-S76 PolarHBondContact OD1-OG 3.46Å; D72-S76 PolarHBondContact OD2-N 3.33Å; D72-G77 WeakPolarHBondContact OD2-CA 3.32Å; D72-G77 PolarHBondContact OD2-N 3.36Å; D72-E83 WeakPolarHBondContact CA-OE1 3.16Å
73R72.6Confident82.6Confident177 Ų17748.1 Ų48.167%0.66825%0.249SC*.SBendtrans-82.2-23.7-178.6-67.8-179.1-172.4158.611.7111.8L71 E83 D86L71-R73 WeakPolarHBondContact O-CG 3.02Å; L71-R73 PolarHBondContact O-N 3.46Å; R73-E83 PolarHBondContact N-OE1 3.28Å; R73-D86 IonicContact CZ-OD2 3.7Å; R73-D86 IonicContact NH2-OD2 2.74Å; R73-D86 PolarHBondContact NH2-OD2 3.24Å
74D76.8Confident82.6Confident96 Ų9648 Ų4851%0.51325%0.248SC..SBendtrans-97.6-0.1-17767.35.1000113.4D72 S76D72-D74 PolarHBondContact OD1-N 2.85Å; D74-S76 PolarHBondContact O-N 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 2.85Å; D74-S76 PolarHBondContact OD1-N 3.48Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 2.84Å
75M74.7Confident82.5Confident158 Ų15851.2 Ų51.278%0.77826%0.262SS*.  trans55.932.5-176.9-58.2-178.6-64.900112D72 G77D72-M75 VanDerWaalsContact OD1-CA 3.22Å; D72-M75 WeakPolarHBondContact OD1-CA 3.4Å; D72-M75 PolarHBondContact OD1-N 3.33Å; D72-M75 VanDerWaalsContact OD2-CA 3.29Å; D72-M75 WeakPolarHBondContact OD2-CA 3.28Å; M75-G77 PolarHBondContact O-N 3.46Å
76S78.3Confident82.4Confident53 Ų5347.2 Ų47.237%0.37125%0.25SC..  trans-71.1-16.6177.860.90000112.6D72 D74 T78D72-S76 PolarHBondContact OD1-N 3.1Å; D72-S76 PolarHBondContact OD1-OG 3.46Å; D72-S76 PolarHBondContact OD2-N 3.33Å; D74-S76 PolarHBondContact O-N 3.3Å; D74-S76 WeakPolarHBondContact OD1-CB 2.85Å; D74-S76 PolarHBondContact OD1-N 3.48Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 2.84Å; S76-T78 PolarHBondContact O-N 2.75Å; S76-T78 PolarHBondContact OG-N 3.08Å; S76-T78 PolarHBondContact OG-O 2.82Å; S76-T78 PolarHBondContact OG-OG1 3.14Å
77G78.6Confident82.4Confident45 Ų4546.1 Ų46.146%0.46424%0.244SC..SBendtrans72.58.2-17000000112.9D72 M75D72-G77 WeakPolarHBondContact OD2-CA 3.32Å; D72-G77 PolarHBondContact OD2-N 3.36Å; M75-G77 PolarHBondContact O-N 3.46Å
78T84.5Confident82.3Confident34 Ų3446.7 Ų46.721%0.20925%0.248CC..SBendtrans-135.6168-177.959.90000109.8Q37 S76Q37-T78 HydrophobicContact CB-CG2 4.41Å; S76-T78 PolarHBondContact O-N 2.75Å; S76-T78 PolarHBondContact OG-N 3.08Å; S76-T78 PolarHBondContact OG-O 2.82Å; S76-T78 PolarHBondContact OG-OG1 3.14Å
79M87.8Confident82.2Confident0 Ų052.1 Ų52.10%027%0.273CS..BIsolated β-bridgetrans-116.7118-175.4175.9175.2-76.500111.8Q37 I38 I68 L71 E83 F84 L87Q37-M79 VanDerWaalsContact OE1-C 3.28Å; Q37-M79 PolarHBondContact OE1-O 2.79Å; I38-M79 HydrophobicContact CB-CB 4.1Å; I38-M79 PolarHBondContact N-O 2.95Å; I38-M79 PolarHBondContact O-N 3.06Å; I68-M79 HydrophobicContact CB-CE 4.41Å; I68-M79 HydrophobicContact CG1-CB 4.17Å; I68-M79 HydrophobicContact CG1-CE 3.96Å; I68-M79 HydrophobicContact CG2-CB 4.32Å; L71-M79 HydrophobicContact CB-CE 4.01Å; L71-M79 HydrophobicContact CD1-CE 3.96Å; M79-E83 HydrophobicContact CG-CB 3.82Å; M79-F84 HydrophobicContact CG-CB 4.02Å; M79-F84 VanDerWaalsContact SD-CA 3.58Å; M79-F84 HydrophobicContact SD-CB 3.97Å; M79-F84 HydrophobicContact SD-CD2 4.03Å; M79-L87 HydrophobicContact CE-CB 4.22Å; M79-L87 HydrophobicContact CE-CD2 3.75Å; M79-L87 HydrophobicContact CE-CG 4.47Å; M79-L87 HydrophobicContact SD-CB 4.29Å; M79-L87 HydrophobicContact SD-CD2 3.76Å
80G88Confident82.3Confident14 Ų1448.9 Ų48.914%0.14426%0.258CS..  trans-80.6173.617400000112.9F28 Q37 N82 E83 F84F28-G80 VanDerWaalsContact CE2-C 3.49Å; Q37-G80 VanDerWaalsContact OE1-CA 3.27Å; G80-N82 PolarHBondContact O-N 3.33Å; G80-E83 PolarHBondContact N-OE2 2.86Å; G80-E83 PolarHBondContact O-N 2.68Å; G80-F84 WeakPolarHBondContact O-CB 3.47Å; G80-F84 PolarHBondContact O-N 3.27Å
81F86.1Confident82.5Confident14 Ų1447.5 Ų47.56%0.06125%0.251CS..Hα-helixtrans-59.4-42-175176.9-112000114.1Q19 D22 L24 Y25 F28 E83 F84 K85Q19-F81 HydrophobicContact CB-CD1 3.68Å; Q19-F81 HydrophobicContact CB-CE1 3.87Å; Q19-F81 HydrophobicContact CG-CD1 3.79Å; Q19-F81 HydrophobicContact CG-CE1 4.16Å; D22-F81 HydrophobicContact CB-CE1 4.16Å; D22-F81 HydrophobicContact CB-CZ 3.68Å; L24-F81 HydrophobicContact CB-CE2 4.23Å; Y25-F81 VanDerWaalsContact CA-CE2 3.43Å; Y25-F81 HydrophobicContact CD2-CB 4.47Å; Y25-F81 AromaticContact CD2-CD1 3.94Å; Y25-F81 HydrophobicContact CD2-CD1 3.94Å; Y25-F81 AromaticContact CD2-CD2 3.7Å; Y25-F81 HydrophobicContact CD2-CD2 3.7Å; Y25-F81 HydrophobicContact CD2-CE1 4.09Å; Y25-F81 AromaticContact CD2-CE2 3.88Å; Y25-F81 HydrophobicContact CD2-CE2 3.88Å; Y25-F81 AromaticContact CD2-CG 3.74Å; Y25-F81 HydrophobicContact CD2-CG 3.74Å; Y25-F81 HydrophobicContact CD2-CZ 4.07Å; Y25-F81 HydrophobicContact CE2-CD2 4.48Å; Y25-F81 HydrophobicContact CE2-CG 4.23Å; Y25-F81 HydrophobicContact CG-CD2 4.48Å; Y25-F81 HydrophobicContact CG-CE2 4.31Å; F28-F81 HydrophobicContact CB-CD2 3.63Å; F28-F81 HydrophobicContact CB-CE2 4.07Å; F28-F81 HydrophobicContact CD1-CB 3.98Å; F28-F81 AromaticContact CD1-CD2 3.88Å; F28-F81 HydrophobicContact CD1-CD2 3.88Å; F28-F81 HydrophobicContact CD1-CG 4.35Å; F28-F81 HydrophobicContact CD2-CB 4.28Å; F28-F81 HydrophobicContact CD2-CD2 4.05Å; F28-F81 HydrophobicContact CE1-CB 3.88Å; F28-F81 HydrophobicContact CE2-CB 4.18Å; F28-F81 HydrophobicContact CG-CB 4.2Å; F28-F81 AromaticContact CG-CD2 3.58Å; F28-F81 HydrophobicContact CG-CD2 3.58Å; F28-F81 HydrophobicContact CG-CE2 4.49Å; F28-F81 HydrophobicContact CG-CG 4.37Å; F28-F81 HydrophobicContact CZ-CB 3.99Å; F28-F81 VanDerWaalsContact CZ-N 3.34Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 PolarHBondContact O-N 3.46Å; F81-F84 PolarHBondContact O-N 2.82Å; F81-K85 WeakPolarHBondContact O-CB 3.43Å; F81-K85 PolarHBondContact O-N 3.45Å
82N85.3Confident82.8Confident91 Ų9150.4 Ų50.449%0.48727%0.267SS..Hα-helixtrans-66.6-38.5-178.9-64.7-29.8000111.2Q19 G80 K85 D86Q19-N82 PolarHBondContact NE2-ND2 3.15Å; Q19-N82 PolarHBondContact NE2-OD1 2.71Å; G80-N82 PolarHBondContact O-N 3.33Å; N82-K85 PolarHBondContact O-N 2.97Å; N82-D86 PolarHBondContact O-N 3.19Å; N82-D86 VanDerWaalsContact O-N 3.08Å
83E86.8Confident82.9Confident18 Ų1851.1 Ų51.18%0.08428%0.28CS..Hα-helixtrans-70.9-40178.5-61.9168.9152.400110.7L71 D72 R73 M79 G80 F81 K85 D86 L87L71-E83 HydrophobicContact CB-CB 4.35Å; L71-E83 WeakPolarHBondContact O-CG 3.38Å; D72-E83 WeakPolarHBondContact CA-OE1 3.16Å; R73-E83 PolarHBondContact N-OE1 3.28Å; M79-E83 HydrophobicContact CG-CB 3.82Å; G80-E83 PolarHBondContact N-OE2 2.86Å; G80-E83 PolarHBondContact O-N 2.68Å; F81-E83 VanDerWaalsContact C-N 3.32Å; F81-E83 PolarHBondContact O-N 3.46Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.19Å; E83-D86 PolarHBondContact O-N 3.37Å; E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 PolarHBondContact O-N 3.37Å
84F85.3Confident83.6Confident1 Ų143.8 Ų43.80%0.00425%0.252CS..Hα-helixtrans-60.3-42.7172.3-179.3-104.6000112.1Y27 F28 I38 L43 M79 G80 F81 L87 C88Y27-F84 HydrophobicContact CD1-CE1 4.46Å; Y27-F84 HydrophobicContact CD1-CZ 4.09Å; F28-F84 HydrophobicContact CB-CD1 4.03Å; F28-F84 HydrophobicContact CB-CE1 4.24Å; F28-F84 HydrophobicContact CD2-CB 3.77Å; F28-F84 AromaticContact CD2-CD1 3.9Å; F28-F84 HydrophobicContact CD2-CD1 3.9Å; F28-F84 AromaticContact CD2-CG 3.83Å; F28-F84 HydrophobicContact CD2-CG 3.83Å; F28-F84 HydrophobicContact CE2-CB 4.12Å; F28-F84 HydrophobicContact CG-CD1 4.45Å; I38-F84 HydrophobicContact CD1-CB 4.35Å; I38-F84 HydrophobicContact CD1-CD2 3.54Å; I38-F84 HydrophobicContact CD1-CE2 3.92Å; I38-F84 HydrophobicContact CD1-CG 3.93Å; L43-F84 HydrophobicContact CD1-CD2 4.42Å; L43-F84 HydrophobicContact CD1-CE2 4.22Å; M79-F84 HydrophobicContact CG-CB 4.02Å; M79-F84 VanDerWaalsContact SD-CA 3.58Å; M79-F84 HydrophobicContact SD-CB 3.97Å; M79-F84 HydrophobicContact SD-CD2 4.03Å; G80-F84 WeakPolarHBondContact O-CB 3.47Å; G80-F84 PolarHBondContact O-N 3.27Å; F81-F84 PolarHBondContact O-N 2.82Å; F84-L87 WeakPolarHBondContact O-CB 3.43Å; F84-L87 PolarHBondContact O-N 3.28Å; F84-C88 VanDerWaalsContact CE1-SG 3.6Å; F84-C88 WeakPolarHBondContact CZ-SG 3.28Å; F84-C88 PolarHBondContact O-N 3.28Å; F84-C88 PolarHBondContact O-SG 3.29Å; F84-C88 VanDerWaalsContact O-SG 3.39Å
85K84.9Confident83.9Confident66 Ų6641.9 Ų41.929%0.28724%0.239SC..Hα-helixtrans-61.6-45.8175.9179.8173.7175.2168.90111.7D22 L24 F81 N82 E83 L87 C88 Q89D22-K85 WeakPolarHBondContact OD2-CE 3.46Å; D22-K85 IonicContact OD2-NZ 2.71Å; D22-K85 PolarHBondContact OD2-NZ 3.4Å; L24-K85 HydrophobicContact CD1-CG 4.32Å; F81-K85 WeakPolarHBondContact O-CB 3.43Å; F81-K85 PolarHBondContact O-N 3.45Å; N82-K85 PolarHBondContact O-N 2.97Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.19Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 2.86Å; K85-C88 PolarHBondContact O-N 2.92Å; K85-Q89 WeakPolarHBondContact O-CG 3.25Å; K85-Q89 PolarHBondContact O-N 3.32Å; K85-Q89 VanDerWaalsContact O-N 3.1Å
86D85.1Confident84.4Confident44 Ų4437.4 Ų37.424%0.23523%0.227CC..Hα-helixtrans-62.2-38.6175.9-75.5-9.3000111.2L71 R73 N82 E83 A90L71-D86 HydrophobicContact CD2-CB 4.26Å; R73-D86 IonicContact CZ-OD2 3.7Å; R73-D86 IonicContact NH2-OD2 2.74Å; R73-D86 PolarHBondContact NH2-OD2 3.24Å; N82-D86 PolarHBondContact O-N 3.19Å; N82-D86 VanDerWaalsContact O-N 3.08Å; E83-D86 PolarHBondContact O-N 3.37Å; D86-A90 WeakPolarHBondContact O-CB 3.4Å; D86-A90 PolarHBondContact O-N 3.25Å
87L85.4Confident84.7Confident0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-61.4-52174.3-176.660.2000111.4L43 M67 L71 M79 E83 F84 K85 Q89 A90 L91L43-L87 HydrophobicContact CD1-CD2 3.65Å; L43-L87 HydrophobicContact CD2-CD2 3.79Å; L43-L87 HydrophobicContact CG-CD2 4.36Å; M67-L87 HydrophobicContact CB-CD1 3.96Å; M67-L87 HydrophobicContact CB-CD2 4.31Å; M67-L87 HydrophobicContact CG-CD1 4.05Å; M67-L87 HydrophobicContact SD-CD1 4.11Å; L71-L87 HydrophobicContact CD1-CB 3.36Å; L71-L87 HydrophobicContact CD1-CD1 3.54Å; L71-L87 HydrophobicContact CD1-CG 3.94Å; M79-L87 HydrophobicContact CE-CB 4.22Å; M79-L87 HydrophobicContact CE-CD2 3.75Å; M79-L87 HydrophobicContact CE-CG 4.47Å; M79-L87 HydrophobicContact SD-CB 4.29Å; M79-L87 HydrophobicContact SD-CD2 3.76Å; E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 PolarHBondContact O-N 3.37Å; F84-L87 WeakPolarHBondContact O-CB 3.43Å; F84-L87 PolarHBondContact O-N 3.28Å; K85-L87 VanDerWaalsContact C-N 3.3Å; K85-L87 PolarHBondContact O-N 2.86Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 2.96Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.14Å; L87-L91 HydrophobicContact CD1-CD1 3.98Å; L87-L91 HydrophobicContact CD1-CG 3.93Å; L87-L91 HydrophobicContact CD2-CD1 4.17Å; L87-L91 HydrophobicContact CG-CD1 3.68Å; L87-L91 HydrophobicContact CG-CG 4.1Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 2.75Å
88C82.8Confident85Confident12 Ų1233.9 Ų33.98%0.08119%0.194CC..Hα-helixtrans-59.4-39.8-178.5-72.80000112F84 K85 N92F84-C88 VanDerWaalsContact CE1-SG 3.6Å; F84-C88 WeakPolarHBondContact CZ-SG 3.28Å; F84-C88 PolarHBondContact O-N 3.28Å; F84-C88 PolarHBondContact O-SG 3.29Å; F84-C88 VanDerWaalsContact O-SG 3.39Å; K85-C88 PolarHBondContact O-N 2.92Å; C88-N92 WeakPolarHBondContact O-CB 3.07Å; C88-N92 VanDerWaalsContact O-CG 3.3Å; C88-N92 PolarHBondContact O-N 3.26Å; C88-N92 PolarHBondContact O-ND2 3.31Å; C88-N92 VanDerWaalsContact O-ND2 3.13Å
89Q84.8Confident85Confident116 Ų11634.9 Ų34.954%0.54220%0.203SC..Hα-helixtrans-64.5-44.9175.5-70.7-177.57.700111.9K85 L87 N92 G93K85-Q89 WeakPolarHBondContact O-CG 3.25Å; K85-Q89 PolarHBondContact O-N 3.32Å; K85-Q89 VanDerWaalsContact O-N 3.1Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 2.96Å; Q89-N92 PolarHBondContact O-N 3.48Å; Q89-G93 PolarHBondContact O-N 3.49Å
90A83.4Confident84.8Confident13 Ų1337.8 Ų37.811%0.10722%0.223CC..Hα-helixtrans-63.3-46.2177.600000112D86 L87 N92 G93 W94D86-A90 WeakPolarHBondContact O-CB 3.4Å; D86-A90 PolarHBondContact O-N 3.25Å; L87-A90 PolarHBondContact O-N 3.2Å; L87-A90 VanDerWaalsContact O-N 3.14Å; A90-N92 VanDerWaalsContact C-N 3.33Å; A90-N92 PolarHBondContact O-N 2.92Å; A90-G93 PolarHBondContact O-N 2.75Å; A90-G93 VanDerWaalsContact O-N 3.14Å; A90-W94 HydrophobicContact CB-CE3 4.26Å; A90-W94 HydrophobicContact CB-CH2 3.82Å; A90-W94 HydrophobicContact CB-CZ2 4.1Å; A90-W94 HydrophobicContact CB-CZ3 3.9Å; A90-W94 PolarHBondContact O-N 3.26Å
91L82.9Confident84.6Confident5 Ų538.3 Ų38.33%0.02622%0.221CC..Hα-helixtrans-59.1-41.9177.5-76.5173.4000112.1L47 F59 M67 L87 G93 W94 K95 V149L47-L91 HydrophobicContact CD1-CD1 4.44Å; L47-L91 HydrophobicContact CD2-CD1 3.46Å; L47-L91 VanDerWaalsContact CD2-CD1 3.46Å; F59-L91 HydrophobicContact CZ-CD2 4.4Å; M67-L91 HydrophobicContact SD-CD2 4.13Å; L87-L91 HydrophobicContact CD1-CD1 3.98Å; L87-L91 HydrophobicContact CD1-CG 3.93Å; L87-L91 HydrophobicContact CD2-CD1 4.17Å; L87-L91 HydrophobicContact CG-CD1 3.68Å; L87-L91 HydrophobicContact CG-CG 4.1Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 2.75Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 2.94Å; L91-W94 HydrophobicContact CD2-CE3 4.08Å; L91-W94 HydrophobicContact CD2-CZ3 4.34Å; L91-W94 PolarHBondContact O-N 2.92Å; L91-K95 WeakPolarHBondContact O-CB 3.33Å; L91-K95 PolarHBondContact O-N 3.44Å; L91-V149 HydrophobicContact CD2-CG1 3.58Å; L91-V149 HydrophobicContact CD2-CG2 4.37Å
92N83.4Confident84.3Confident80 Ų8037.6 Ų37.643%0.42822%0.219SC..Hα-helixtrans-62.3-41.5175.9-77.5-33.3000112C88 Q89 A90 K95 A96C88-N92 WeakPolarHBondContact O-CB 3.07Å; C88-N92 VanDerWaalsContact O-CG 3.3Å; C88-N92 PolarHBondContact O-N 3.26Å; C88-N92 PolarHBondContact O-ND2 3.31Å; C88-N92 VanDerWaalsContact O-ND2 3.13Å; Q89-N92 PolarHBondContact O-N 3.48Å; A90-N92 VanDerWaalsContact C-N 3.33Å; A90-N92 PolarHBondContact O-N 2.92Å; N92-K95 PolarHBondContact O-N 3.12Å; N92-A96 WeakPolarHBondContact O-CB 3.38Å; N92-A96 PolarHBondContact O-N 2.95Å
93G84.6Confident83.7Confident37 Ų3743.4 Ų43.438%0.38123%0.234SC..Hα-helixtrans-63.3-46.1175.400000112.7Q89 A90 L91 A96 T97Q89-G93 PolarHBondContact O-N 3.49Å; A90-G93 PolarHBondContact O-N 2.75Å; A90-G93 VanDerWaalsContact O-N 3.14Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-G93 PolarHBondContact O-N 2.94Å; G93-A96 PolarHBondContact O-N 3.07Å; G93-T97 WeakPolarHBondContact O-CB 3.05Å; G93-T97 PolarHBondContact O-N 3.39Å; G93-T97 PolarHBondContact O-OG1 2.73Å
94W85.7Confident83.2Confident22 Ų2247.4 Ų47.48%0.08326%0.255CS..Hα-helixtrans-66.9-38.3177.2-62.9-33.9000112.5A90 L91 T97 F98 M121 F148 V149 C152 V153A90-W94 HydrophobicContact CB-CE3 4.26Å; A90-W94 HydrophobicContact CB-CH2 3.82Å; A90-W94 HydrophobicContact CB-CZ2 4.1Å; A90-W94 HydrophobicContact CB-CZ3 3.9Å; A90-W94 PolarHBondContact O-N 3.26Å; L91-W94 HydrophobicContact CD2-CE3 4.08Å; L91-W94 HydrophobicContact CD2-CZ3 4.34Å; L91-W94 PolarHBondContact O-N 2.92Å; W94-T97 PolarHBondContact O-N 3.16Å; W94-F98 VanDerWaalsContact O-CB 3.3Å; W94-F98 WeakPolarHBondContact O-CB 3.36Å; W94-F98 PolarHBondContact O-N 3.03Å; W94-M121 VanDerWaalsContact CD1-SD 3.54Å; W94-F148 HydrophobicContact CB-CE1 4.28Å; W94-V149 HydrophobicContact CE3-CG1 3.87Å; W94-V149 HydrophobicContact CZ3-CG1 4.07Å; W94-C152 HydrophobicContact CD2-CB 3.88Å; W94-C152 HydrophobicContact CG-CB 4.12Å; W94-C152 HydrophobicContact CZ2-CB 4Å; W94-V153 HydrophobicContact CE3-CG2 4.31Å; W94-V153 HydrophobicContact CH2-CB 4.07Å; W94-V153 HydrophobicContact CH2-CG2 3.33Å; W94-V153 HydrophobicContact CZ2-CG2 4.38Å; W94-V153 HydrophobicContact CZ3-CB 4.47Å; W94-V153 HydrophobicContact CZ3-CG2 3.3Å
95K83.3Confident82.8Confident56 Ų5653.7 Ų53.724%0.24329%0.285CS..Hα-helixtrans-63.4-44.5174.7-174.3177-178.4166.80111.7G51 M52 L91 N92 T97 F98 S99 F145G51-K95 PolarHBondContact O-NZ 3.47Å; G51-K95 VanDerWaalsContact O-NZ 3.11Å; M52-K95 WeakPolarHBondContact O-CD 3.45Å; M52-K95 WeakPolarHBondContact O-CE 3.36Å; M52-K95 PolarHBondContact O-NZ 2.82Å; L91-K95 WeakPolarHBondContact O-CB 3.33Å; L91-K95 PolarHBondContact O-N 3.44Å; N92-K95 PolarHBondContact O-N 3.12Å; K95-T97 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 3.24Å; K95-F98 PolarHBondContact O-N 3.36Å; K95-S99 VanDerWaalsContact O-CB 3.31Å; K95-S99 WeakPolarHBondContact O-CB 3.32Å; K95-S99 PolarHBondContact O-N 2.96Å; K95-F145 HydrophobicContact CB-CE2 4.37Å; K95-F145 HydrophobicContact CB-CZ 4.07Å; K95-F145 HydrophobicContact CG-CZ 4.21Å
96A85.8Confident82.4Confident64 Ų6453 Ų5353%0.52929%0.288SS..Hα-helixtrans-62.6-40.8176.300000111.5N92 G93 S100N92-A96 WeakPolarHBondContact O-CB 3.38Å; N92-A96 PolarHBondContact O-N 2.95Å; G93-A96 PolarHBondContact O-N 3.07Å; A96-S100 PolarHBondContact O-N 3.2Å; A96-S100 VanDerWaalsContact O-N 3.16Å
97T85.3Confident82.2Confident24 Ų2451.6 Ų51.615%0.14728%0.284CS..Hα-helixtrans-63.4-54.1175.4-57.80000109.7G93 W94 K95 S99 S100 F101 A117 M121 F148G93-T97 WeakPolarHBondContact O-CB 3.05Å; G93-T97 PolarHBondContact O-N 3.39Å; G93-T97 PolarHBondContact O-OG1 2.73Å; W94-T97 PolarHBondContact O-N 3.16Å; K95-T97 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 3.24Å; T97-S99 PolarHBondContact O-N 3.16Å; T97-S100 WeakPolarHBondContact O-CB 3.38Å; T97-S100 PolarHBondContact O-N 3.43Å; T97-S100 PolarHBondContact O-OG 2.87Å; T97-F101 HydrophobicContact CG2-CD2 4.03Å; T97-F101 HydrophobicContact CG2-CE2 3.66Å; T97-F101 WeakPolarHBondContact O-CD2 3.37Å; T97-F101 PolarHBondContact O-N 3.35Å; T97-A117 HydrophobicContact CG2-CB 4.04Å; T97-M121 HydrophobicContact CG2-CG 4.21Å; T97-M121 HydrophobicContact CG2-SD 4.48Å; T97-F148 HydrophobicContact CG2-CZ 4.48Å
98F84.4Confident82.2Confident0 Ų052.9 Ų52.90%029%0.292CS..Hα-helixtrans-55.3-48.9179.2-171.1-90.4000112.2Y56 W94 K95 S100 F101 D102 V109 F145 F148Y56-F98 HydrophobicContact CD1-CE1 4.49Å; Y56-F98 AromaticContact CE1-CE1 3.98Å; Y56-F98 HydrophobicContact CE1-CE1 3.98Å; Y56-F98 HydrophobicContact CE2-CD1 4.04Å; Y56-F98 HydrophobicContact CE2-CE1 4.12Å; Y56-F98 AromaticContact CZ-CD1 3.9Å; Y56-F98 AromaticContact CZ-CE1 3.73Å; W94-F98 VanDerWaalsContact O-CB 3.3Å; W94-F98 WeakPolarHBondContact O-CB 3.36Å; W94-F98 PolarHBondContact O-N 3.03Å; K95-F98 PolarHBondContact O-N 3.36Å; F98-S100 PolarHBondContact O-N 3.13Å; F98-F101 PolarHBondContact O-N 3.01Å; F98-D102 HydrophobicContact CD1-CB 4.02Å; F98-D102 HydrophobicContact CE1-CB 3.8Å; F98-D102 WeakPolarHBondContact O-CB 3.26Å; F98-D102 PolarHBondContact O-N 3.31Å; F98-V109 HydrophobicContact CD2-CG1 3.77Å; F98-V109 HydrophobicContact CD2-CG2 4.41Å; F98-V109 HydrophobicContact CE2-CB 4.23Å; F98-V109 HydrophobicContact CE2-CG1 3.49Å; F98-V109 VanDerWaalsContact CE2-CG1 3.49Å; F98-V109 HydrophobicContact CE2-CG2 3.88Å; F98-V109 HydrophobicContact CG-CG1 4.47Å; F98-V109 HydrophobicContact CZ-CG1 3.94Å; F98-F145 HydrophobicContact CB-CD2 3.97Å; F98-F145 HydrophobicContact CB-CE2 3.98Å; F98-F145 HydrophobicContact CD1-CB 4.43Å; F98-F145 AromaticContact CD1-CD2 3.64Å; F98-F145 HydrophobicContact CD1-CD2 3.64Å; F98-F145 HydrophobicContact CD1-CE2 4.34Å; F98-F145 HydrophobicContact CD1-CG 4.37Å; F98-F145 AromaticContact CD2-CD2 3.81Å; F98-F145 HydrophobicContact CD2-CD2 3.81Å; F98-F145 HydrophobicContact CE1-CB 3.94Å; F98-F145 HydrophobicContact CE1-CD2 4.02Å; F98-F145 HydrophobicContact CE1-CG 4.35Å; F98-F145 HydrophobicContact CE2-CB 4.2Å; F98-F145 HydrophobicContact CE2-CD2 4.14Å; F98-F145 AromaticContact CG-CD2 3.52Å; F98-F145 HydrophobicContact CG-CD2 3.52Å; F98-F145 HydrophobicContact CG-CE2 4.07Å; F98-F145 HydrophobicContact CZ-CB 3.8Å; F98-F145 HydrophobicContact CZ-CD2 4.24Å; F98-F148 HydrophobicContact CB-CD1 4.18Å; F98-F148 HydrophobicContact CB-CE1 4.03Å; F98-F148 HydrophobicContact CD2-CB 3.89Å; F98-F148 AromaticContact CD2-CD1 3.55Å; F98-F148 HydrophobicContact CD2-CD1 3.55Å; F98-F148 HydrophobicContact CD2-CD2 4.16Å; F98-F148 HydrophobicContact CD2-CE1 4.08Å; F98-F148 AromaticContact CD2-CG 3.59Å; F98-F148 HydrophobicContact CD2-CG 3.59Å; F98-F148 HydrophobicContact CE2-CB 3.86Å; F98-F148 HydrophobicContact CE2-CD1 4.38Å; F98-F148 HydrophobicContact CE2-CG 4.05Å; F98-F148 HydrophobicContact CG-CD1 4.29Å
99S83.4Confident82.3Confident56 Ų5652.3 Ų52.339%0.39229%0.288SS..Hα-helixtrans-63.9-22.9178.7-177.20000113.6K95 T97 F101K95-S99 VanDerWaalsContact O-CB 3.31Å; K95-S99 WeakPolarHBondContact O-CB 3.32Å; K95-S99 PolarHBondContact O-N 2.96Å; T97-S99 PolarHBondContact O-N 3.16Å; S99-F101 VanDerWaalsContact C-N 3.32Å
100S85.1Confident82.4Confident61 Ų6150 Ų5043%0.42728%0.277SS..Hα-helixtrans-76.2-23.8175.1770000113A96 T97 F98A96-S100 PolarHBondContact O-N 3.2Å; A96-S100 VanDerWaalsContact O-N 3.16Å; T97-S100 WeakPolarHBondContact O-CB 3.38Å; T97-S100 PolarHBondContact O-N 3.43Å; T97-S100 PolarHBondContact O-OG 2.87Å; F98-S100 PolarHBondContact O-N 3.13Å
101F82Confident82.3Confident24 Ų2450.5 Ų50.511%0.10528%0.284CS..Hα-helixtrans-96.2-40.7178.6-67.9-69.5000112.2T97 F98 S99 R103 V109 E113 Q116 A117T97-F101 HydrophobicContact CG2-CD2 4.03Å; T97-F101 HydrophobicContact CG2-CE2 3.66Å; T97-F101 WeakPolarHBondContact O-CD2 3.37Å; T97-F101 PolarHBondContact O-N 3.35Å; F98-F101 PolarHBondContact O-N 3.01Å; S99-F101 VanDerWaalsContact C-N 3.32Å; F101-R103 PolarHBondContact O-N 3.5Å; F101-V109 HydrophobicContact CB-CG1 4.22Å; F101-E113 HydrophobicContact CB-CB 4.23Å; F101-E113 HydrophobicContact CD1-CB 4.49Å; F101-Q116 HydrophobicContact CD1-CB 4.26Å; F101-Q116 HydrophobicContact CE1-CB 3.48Å; F101-Q116 VanDerWaalsContact CE1-CB 3.48Å; F101-Q116 HydrophobicContact CZ-CB 3.98Å; F101-A117 HydrophobicContact CD2-CB 3.59Å; F101-A117 HydrophobicContact CE2-CB 3.54Å; F101-A117 HydrophobicContact CG-CB 4.36Å; F101-A117 HydrophobicContact CZ-CB 4.21Å
102D80.1Confident82.3Confident0 Ų055 Ų550%030%0.304CS..  trans-72.561173.7-178.342.5000111.7Y56 F98 D104 H105 S106 G107Y56-D102 WeakPolarHBondContact CE1-OD2 3.46Å; Y56-D102 VanDerWaalsContact CZ-OD2 3.31Å; Y56-D102 PolarHBondContact OH-OD2 2.86Å; F98-D102 HydrophobicContact CD1-CB 4.02Å; F98-D102 HydrophobicContact CE1-CB 3.8Å; F98-D102 WeakPolarHBondContact O-CB 3.26Å; F98-D102 PolarHBondContact O-N 3.31Å; D102-D104 VanDerWaalsContact C-N 3.27Å; D102-D104 PolarHBondContact O-N 3.01Å; D102-H105 PolarHBondContact O-N 3.4Å; D102-H105 VanDerWaalsContact O-N 3.16Å; D102-H105 WeakPolarHBondContact OD2-CA 3.3Å; D102-S106 PolarHBondContact OD1-N 2.84Å; D102-S106 PolarHBondContact OD1-OG 2.9Å; D102-S106 VanDerWaalsContact OD1-OG 3.12Å; D102-G107 PolarHBondContact OD1-N 3.26Å; D102-G107 PolarHBondContact OD2-N 2.83Å
103R73.8Confident82.4Confident213 Ų21352.8 Ų52.880%0.80429%0.291SS*.THydrogen-bonded Turntrans-68.4-26.5-175.9-68.6-174.2178.1-179.30.7113.2F101 H105F101-R103 PolarHBondContact O-N 3.5Å; R103-H105 VanDerWaalsContact C-N 3.28Å
104D76.1Confident82.5Confident101 Ų10151.1 Ų51.154%0.5427%0.274SS..THydrogen-bonded Turntrans-86.6-1.517769.4-11.2000112.5D102 S106D102-D104 VanDerWaalsContact C-N 3.27Å; D102-D104 PolarHBondContact O-N 3.01Å; D104-S106 PolarHBondContact O-N 3.47Å; D104-S106 WeakPolarHBondContact OD1-CB 3.44Å; D104-S106 PolarHBondContact OD1-N 2.92Å; D104-S106 PolarHBondContact OD1-OG 3.35Å; D104-S106 WeakPolarHBondContact OD2-CB 3.47Å
105H75.5Confident82.5Confident134 Ų13454.3 Ų54.362%0.6229%0.29SS*.  trans52.632.1-174.9-59.5-57.8000112.7D102 R103 G107D102-H105 PolarHBondContact O-N 3.4Å; D102-H105 VanDerWaalsContact O-N 3.16Å; D102-H105 WeakPolarHBondContact OD2-CA 3.3Å; R103-H105 VanDerWaalsContact C-N 3.28Å; H105-G107 PolarHBondContact O-N 3.19Å
106S77.7Confident82.6Confident50 Ų5056.6 Ų56.635%0.3530%0.301SS..  trans-67.1-19.117666.60000112.4D102 D104 T108D102-S106 PolarHBondContact OD1-N 2.84Å; D102-S106 PolarHBondContact OD1-OG 2.9Å; D102-S106 VanDerWaalsContact OD1-OG 3.12Å; D104-S106 PolarHBondContact O-N 3.47Å; D104-S106 WeakPolarHBondContact OD1-CB 3.44Å; D104-S106 PolarHBondContact OD1-N 2.92Å; D104-S106 PolarHBondContact OD1-OG 3.35Å; D104-S106 WeakPolarHBondContact OD2-CB 3.47Å; S106-T108 PolarHBondContact OG-N 2.93Å; S106-T108 PolarHBondContact OG-O 3.14Å; S106-T108 VanDerWaalsContact OG-O 3.05Å; S106-T108 PolarHBondContact OG-OG1 3.41Å
107G80.4Confident82.7Confident15 Ų1553.6 Ų53.616%0.15528%0.276CS..SBendtrans74.317.2-173.200000113.6D102 H105D102-G107 PolarHBondContact OD1-N 3.26Å; D102-G107 PolarHBondContact OD2-N 2.83Å; H105-G107 PolarHBondContact O-N 3.19Å
108T84.8Confident82.8Confident27 Ų2752.6 Ų52.617%0.16627%0.27CS..EExtended strand (participates in β ladder)trans-139.5149.6177.159.70000110.5S106 R142 I143S106-T108 PolarHBondContact OG-N 2.93Å; S106-T108 PolarHBondContact OG-O 3.14Å; S106-T108 VanDerWaalsContact OG-O 3.05Å; S106-T108 PolarHBondContact OG-OG1 3.41Å; T108-R142 HydrophobicContact CG2-CB 4.11Å; T108-R142 PolarHBondContact OG1-NH1 2.95Å; T108-R142 VanDerWaalsContact OG1-NH1 3.12Å; T108-I143 CarbonylContact C-O 3.52Å; T108-I143 VanDerWaalsContact CA-O 3.23Å; T108-I143 WeakPolarHBondContact CA-O 3.3Å
109V86.6Confident82.9Confident1 Ų156.4 Ų56.41%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-111.9140.8168.7-670000110.7F98 F101 E113 I143 F148F98-V109 HydrophobicContact CD2-CG1 3.77Å; F98-V109 HydrophobicContact CD2-CG2 4.41Å; F98-V109 HydrophobicContact CE2-CB 4.23Å; F98-V109 HydrophobicContact CE2-CG1 3.49Å; F98-V109 VanDerWaalsContact CE2-CG1 3.49Å; F98-V109 HydrophobicContact CE2-CG2 3.88Å; F98-V109 HydrophobicContact CG-CG1 4.47Å; F98-V109 HydrophobicContact CZ-CG1 3.94Å; F101-V109 HydrophobicContact CB-CG1 4.22Å; V109-E113 WeakPolarHBondContact CA-OE2 3.47Å; V109-E113 HydrophobicContact CB-CB 4.14Å; V109-I143 HydrophobicContact CG2-CB 3.89Å; V109-I143 HydrophobicContact CG2-CG2 4.4Å; V109-I143 PolarHBondContact N-O 3.05Å; V109-I143 PolarHBondContact O-N 2.92Å; V109-F148 HydrophobicContact CG2-CD2 4.18Å
110E86Confident83Confident68 Ų6858.4 Ų58.432%0.31830%0.303SS..EExtended strand (participates in β ladder)trans-84.5165.8174-62.9-170.5170.300111.1H112 E113 L114 R142E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.8Å; E110-H112 IonicContact OE2-CE1 3.42Å; E110-H112 PolarHBondContact OE2-CE1 3.38Å; E110-H112 IonicContact OE2-ND1 3.72Å; E110-E113 PolarHBondContact N-OE2 3.43Å; E110-E113 WeakPolarHBondContact O-CB 3.35Å; E110-E113 PolarHBondContact O-N 3.47Å; E110-L114 PolarHBondContact O-N 2.96Å; E110-R142 HydrophobicContact CG-CG 4.33Å; E110-R142 IonicContact OE1-CZ 2.95Å; E110-R142 IonicContact OE1-NE 2.68Å; E110-R142 IonicContact OE1-NH2 3.19Å; E110-R142 PolarHBondContact OE1-NH2 3.32Å
111G82.3Confident82.9Confident23 Ų2357.5 Ų57.524%0.23729%0.293CS..Hα-helixtrans-62.6-30.7-172.600000115.6Q115 M134G111-Q115 PolarHBondContact O-N 3Å; G111-Q115 VanDerWaalsContact O-N 3.14Å; G111-M134 WeakPolarHBondContact CA-SD 3.21Å
112H82.4Confident83Confident98 Ų9859.1 Ų59.145%0.45432%0.316SS..Hα-helixtrans-71.2-33.5175.669.6-86.3000111.9E110 Q116E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.8Å; E110-H112 IonicContact OE2-CE1 3.42Å; E110-H112 PolarHBondContact OE2-CE1 3.38Å; E110-H112 IonicContact OE2-ND1 3.72Å; H112-Q116 WeakPolarHBondContact O-CG 3.48Å; H112-Q116 PolarHBondContact O-N 2.99Å
113E86.1Confident83.3Confident35 Ų3560.9 Ų60.916%0.16432%0.323CS..Hα-helixtrans-73.3-41175.8-61.9175139.600111F101 V109 E110 Q115 Q116 A117F101-E113 HydrophobicContact CB-CB 4.23Å; F101-E113 HydrophobicContact CD1-CB 4.49Å; V109-E113 WeakPolarHBondContact CA-OE2 3.47Å; V109-E113 HydrophobicContact CB-CB 4.14Å; E110-E113 PolarHBondContact N-OE2 3.43Å; E110-E113 WeakPolarHBondContact O-CB 3.35Å; E110-E113 PolarHBondContact O-N 3.47Å; E113-Q115 VanDerWaalsContact C-N 3.3Å; E113-Q115 PolarHBondContact O-N 3.42Å; E113-Q116 PolarHBondContact O-N 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.36Å; E113-A117 PolarHBondContact O-N 3.38Å
114L86.6Confident83.9Confident1 Ų158.3 Ų58.31%0.00533%0.326CS..Hα-helixtrans-56.1-46.3172.9-179.176.6000111E110 Q116 A117 I118 M130 I133 M134 I143 F148E110-L114 PolarHBondContact O-N 2.96Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.91Å; L114-A117 PolarHBondContact O-N 2.87Å; L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.25Å; L114-I118 HydrophobicContact CD2-CD1 4.07Å; L114-I118 HydrophobicContact CG-CD1 3.77Å; L114-I118 HydrophobicContact CG-CG1 4.28Å; L114-I118 WeakPolarHBondContact O-CB 3.44Å; L114-I118 WeakPolarHBondContact O-CG1 3.15Å; L114-I118 PolarHBondContact O-N 3.07Å; L114-M130 HydrophobicContact CD2-SD 3.77Å; L114-M130 HydrophobicContact CG-SD 4.22Å; L114-I133 HydrophobicContact CD2-CG2 3.79Å; L114-M134 HydrophobicContact CB-SD 4.24Å; L114-M134 HydrophobicContact CD2-CG 4.14Å; L114-M134 HydrophobicContact CD2-SD 3.48Å; L114-M134 WeakPolarHBondContact CD2-SD 3.18Å; L114-M134 HydrophobicContact CG-SD 4.48Å; L114-I143 HydrophobicContact CB-CD1 4.31Å; L114-I143 HydrophobicContact CD1-CD1 3.99Å; L114-I143 HydrophobicContact CD2-CD1 3.57Å; L114-I143 HydrophobicContact CG-CD1 4.13Å; L114-F148 HydrophobicContact CD1-CD2 3.69Å; L114-F148 HydrophobicContact CD1-CE2 3.89Å
115Q85.3Confident84.5Confident90 Ų9055.9 Ų55.942%0.42131%0.312SS..Hα-helixtrans-60.5-42.9179.3-177.1175.224.500111.7G111 E113 T119 M130G111-Q115 PolarHBondContact O-N 3Å; G111-Q115 VanDerWaalsContact O-N 3.14Å; E113-Q115 VanDerWaalsContact C-N 3.3Å; E113-Q115 PolarHBondContact O-N 3.42Å; Q115-T119 WeakPolarHBondContact O-CB 3.3Å; Q115-T119 PolarHBondContact O-N 3.46Å; Q115-T119 PolarHBondContact O-OG1 3.32Å; Q115-M130 HydrophobicContact CB-CE 4.25Å; Q115-M130 HydrophobicContact CB-CG 4.39Å; Q115-M130 HydrophobicContact CB-SD 4.33Å; Q115-M130 HydrophobicContact CG-CE 4.19Å
116Q85.6Confident85.2Confident104 Ų10452.2 Ų52.249%0.48630%0.301SS..Hα-helixtrans-66.1-41.2176.4-68.5177.134.100111.6F101 H112 E113 L114 T119 T120F101-Q116 HydrophobicContact CD1-CB 4.26Å; F101-Q116 HydrophobicContact CE1-CB 3.48Å; F101-Q116 VanDerWaalsContact CE1-CB 3.48Å; F101-Q116 HydrophobicContact CZ-CB 3.98Å; H112-Q116 WeakPolarHBondContact O-CG 3.48Å; H112-Q116 PolarHBondContact O-N 2.99Å; E113-Q116 PolarHBondContact O-N 3.27Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.91Å; Q116-T119 PolarHBondContact O-N 3.03Å; Q116-T120 WeakPolarHBondContact O-CB 3.08Å; Q116-T120 PolarHBondContact O-N 2.83Å; Q116-T120 PolarHBondContact O-OG1 3.41Å
117A86.8Confident85.7Confident1 Ų154.1 Ų54.11%0.00831%0.313CS..Hα-helixtrans-61.2-49.717700000111.9T97 F101 E113 L114 T119 T120 M121 F148T97-A117 HydrophobicContact CG2-CB 4.04Å; F101-A117 HydrophobicContact CD2-CB 3.59Å; F101-A117 HydrophobicContact CE2-CB 3.54Å; F101-A117 HydrophobicContact CG-CB 4.36Å; F101-A117 HydrophobicContact CZ-CB 4.21Å; E113-A117 WeakPolarHBondContact O-CB 3.36Å; E113-A117 PolarHBondContact O-N 3.38Å; L114-A117 PolarHBondContact O-N 2.87Å; A117-T119 VanDerWaalsContact C-N 3.3Å; A117-T119 PolarHBondContact O-N 3.47Å; A117-T120 WeakPolarHBondContact O-CB 3.27Å; A117-T120 PolarHBondContact O-N 3.37Å; A117-T120 VanDerWaalsContact O-N 3.16Å; A117-M121 HydrophobicContact CB-CE 4.48Å; A117-M121 WeakPolarHBondContact O-CE 3.35Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.81Å; A117-F148 HydrophobicContact CB-CE2 3.9Å; A117-F148 HydrophobicContact CB-CZ 4.13Å
118I87.1Confident86.2Confident3 Ų360.7 Ų60.72%0.01534%0.34CS..Hα-helixtrans-60.4-41.3178-71.6-179.7000111L114 M121 G122 Y123 L125 M130 I133L114-I118 HydrophobicContact CD1-CD1 3.95Å; L114-I118 HydrophobicContact CD1-CG1 4.25Å; L114-I118 HydrophobicContact CD2-CD1 4.07Å; L114-I118 HydrophobicContact CG-CD1 3.77Å; L114-I118 HydrophobicContact CG-CG1 4.28Å; L114-I118 WeakPolarHBondContact O-CB 3.44Å; L114-I118 WeakPolarHBondContact O-CG1 3.15Å; L114-I118 PolarHBondContact O-N 3.07Å; I118-M121 HydrophobicContact CG1-CE 4.03Å; I118-M121 PolarHBondContact O-N 2.84Å; I118-G122 PolarHBondContact O-N 2.75Å; I118-Y123 HydrophobicContact CG2-CD2 4.32Å; I118-Y123 HydrophobicContact CG2-CG 4.39Å; I118-Y123 WeakPolarHBondContact O-CB 3.49Å; I118-Y123 PolarHBondContact O-N 3.38Å; I118-L125 HydrophobicContact CD1-CD1 4.4Å; I118-L125 HydrophobicContact CG2-CD1 3.69Å; I118-L125 HydrophobicContact CG2-CG 4.12Å; I118-M130 HydrophobicContact CB-CE 4.12Å; I118-M130 HydrophobicContact CD1-CE 3.77Å; I118-M130 HydrophobicContact CD1-SD 3.91Å; I118-M130 HydrophobicContact CG1-CE 4.5Å; I118-M130 HydrophobicContact CG2-CE 4.01Å; I118-I133 HydrophobicContact CD1-CD1 4.24Å
119T86.8Confident86.5Confident80 Ų8061.1 Ų61.149%0.49135%0.345SS..Hα-helixtrans-65.4-41175.7-53.70000111.7Q115 Q116 A117 M121 G122 Y123Q115-T119 WeakPolarHBondContact O-CB 3.3Å; Q115-T119 PolarHBondContact O-N 3.46Å; Q115-T119 PolarHBondContact O-OG1 3.32Å; Q116-T119 PolarHBondContact O-N 3.03Å; A117-T119 VanDerWaalsContact C-N 3.3Å; A117-T119 PolarHBondContact O-N 3.47Å; T119-M121 VanDerWaalsContact C-N 3.28Å; T119-M121 PolarHBondContact O-N 3.43Å; T119-G122 WeakPolarHBondContact O-CA 3.49Å; T119-G122 PolarHBondContact O-N 3.31Å; T119-Y123 WeakPolarHBondContact CA-O 3.31Å
120T85.3Confident86.6Confident98 Ų9861.6 Ų61.660%0.60135%0.348SS*.Hα-helixtrans-65.2-33.7177.9-58.60000111.5Q116 A117 G122Q116-T120 WeakPolarHBondContact O-CB 3.08Å; Q116-T120 PolarHBondContact O-N 2.83Å; Q116-T120 PolarHBondContact O-OG1 3.41Å; A117-T120 WeakPolarHBondContact O-CB 3.27Å; A117-T120 PolarHBondContact O-N 3.37Å; A117-T120 VanDerWaalsContact O-N 3.16Å; T120-G122 PolarHBondContact O-N 3.11Å
121M83Confident86.8Confident42 Ų4263.1 Ų63.121%0.20736%0.358CS..THydrogen-bonded Turntrans-73.7-0.8171.9-69-175.4-70.800113.5W94 T97 A117 I118 T119 Y123 F148 C152W94-M121 VanDerWaalsContact CD1-SD 3.54Å; T97-M121 HydrophobicContact CG2-CG 4.21Å; T97-M121 HydrophobicContact CG2-SD 4.48Å; A117-M121 HydrophobicContact CB-CE 4.48Å; A117-M121 WeakPolarHBondContact O-CE 3.35Å; A117-M121 WeakPolarHBondContact O-CG 3.44Å; A117-M121 PolarHBondContact O-N 2.81Å; I118-M121 HydrophobicContact CG1-CE 4.03Å; I118-M121 PolarHBondContact O-N 2.84Å; T119-M121 VanDerWaalsContact C-N 3.28Å; T119-M121 PolarHBondContact O-N 3.43Å; M121-Y123 HydrophobicContact CB-CD2 3.73Å; M121-Y123 HydrophobicContact CB-CE2 3.77Å; M121-F148 HydrophobicContact CE-CE2 4.28Å; M121-F148 HydrophobicContact CE-CZ 3.89Å; M121-F148 HydrophobicContact SD-CZ 4.46Å; M121-C152 VanDerWaalsContact CE-SG 3.55Å
122G85.8Confident87.2Confident58 Ų5866.2 Ų66.260%0.59838%0.375SS*.THydrogen-bonded Turntrans90.312.4174.800000114.9I118 T119 T120I118-G122 PolarHBondContact O-N 2.75Å; T119-G122 WeakPolarHBondContact O-CA 3.49Å; T119-G122 PolarHBondContact O-N 3.31Å; T120-G122 PolarHBondContact O-N 3.11Å
123Y86.2Confident87.6Confident36 Ų3662.7 Ų62.714%0.14136%0.359CS..  trans-97.8124.8178.1-56.3-73.3000111I118 T119 M121 L155 R156 T159I118-Y123 HydrophobicContact CG2-CD2 4.32Å; I118-Y123 HydrophobicContact CG2-CG 4.39Å; I118-Y123 WeakPolarHBondContact O-CB 3.49Å; I118-Y123 PolarHBondContact O-N 3.38Å; T119-Y123 WeakPolarHBondContact CA-O 3.31Å; M121-Y123 HydrophobicContact CB-CD2 3.73Å; M121-Y123 HydrophobicContact CB-CE2 3.77Å; Y123-L155 HydrophobicContact CD1-CD2 3.2Å; Y123-L155 HydrophobicContact CD2-CD2 3.39Å; Y123-L155 HydrophobicContact CE1-CD2 3.25Å; Y123-L155 HydrophobicContact CE2-CD2 3.44Å; Y123-L155 VanDerWaalsContact CE2-CD2 3.44Å; Y123-L155 HydrophobicContact CG-CD2 3.25Å; Y123-R156 WeakPolarHBondContact OH-CA 3.37Å; Y123-T159 HydrophobicContact CE1-CG2 4.05Å
124N85.7Confident87.7Confident160 Ų16062.2 Ų62.286%0.85636%0.358SS*.  trans-106.791.5178.1-160.9-16.7000109.6
125L87.9Confident87.8Confident50 Ų5070.7 Ų70.726%0.26239%0.394SS..  trans-101.4145.2-176.4-56.9179000111.1I118 A129 M130 I133 L155I118-L125 HydrophobicContact CD1-CD1 4.4Å; I118-L125 HydrophobicContact CG2-CD1 3.69Å; I118-L125 HydrophobicContact CG2-CG 4.12Å; L125-A129 HydrophobicContact CB-CB 4.31Å; L125-M130 HydrophobicContact CB-CE 4.25Å; L125-M130 HydrophobicContact CD1-CE 4.05Å; L125-I133 HydrophobicContact CD1-CD1 3.51Å; L125-L155 HydrophobicContact CD1-CD1 3.59Å
126S90.8Very high88Confident56 Ų5673.6 Ų73.639%0.39240%0.402SS..  trans-65.6154.4172.975.20000111.2Q128 A129 M130S126-Q128 PolarHBondContact O-N 2.62Å; S126-Q128 VanDerWaalsContact O-N 3.12Å; S126-A129 PolarHBondContact O-N 2.84Å; S126-A129 VanDerWaalsContact O-N 3.09Å; S126-A129 PolarHBondContact OG-N 2.91Å; S126-M130 PolarHBondContact O-N 3.2Å
127P88.5Confident88.1Confident90 Ų9069.5 Ų69.558%0.58438%0.382SS*.Hα-helixtrans-56.2-30.5175.6-26.234.7000113.4N131P127-N131 WeakPolarHBondContact O-CB 3.37Å; P127-N131 PolarHBondContact O-N 3.32Å; P127-N131 PolarHBondContact O-ND2 3.19Å; P127-N131 VanDerWaalsContact O-ND2 3.12Å
128Q90.9Very high88.1Confident154 Ų15471.2 Ų71.272%0.7239%0.393SS*.Hα-helixtrans-68.5-46.8177.1-66.1160-6.800111.2S126 M130 N131 C132S126-Q128 PolarHBondContact O-N 2.62Å; S126-Q128 VanDerWaalsContact O-N 3.12Å; Q128-M130 VanDerWaalsContact C-N 3.32Å; Q128-M130 PolarHBondContact O-N 2.92Å; Q128-N131 PolarHBondContact O-N 3.19Å; Q128-C132 PolarHBondContact O-N 2.68Å; Q128-C132 VanDerWaalsContact O-N 3.12Å
129A90.3Very high87.9Confident35 Ų3576 Ų7629%0.28942%0.419SS..Hα-helixtrans-62.6-41175.400000111.4L125 S126 N131 C132 I133L125-A129 HydrophobicContact CB-CB 4.31Å; S126-A129 PolarHBondContact O-N 2.84Å; S126-A129 VanDerWaalsContact O-N 3.09Å; S126-A129 PolarHBondContact OG-N 2.91Å; A129-N131 VanDerWaalsContact C-N 3.34Å; A129-N131 PolarHBondContact O-N 3.4Å; A129-C132 WeakPolarHBondContact O-CB 3.33Å; A129-C132 PolarHBondContact O-N 3.36Å; A129-I133 WeakPolarHBondContact O-CG1 3.5Å; A129-I133 PolarHBondContact O-N 3.47Å
130M89.7Confident87.8Confident12 Ų1280.9 Ų80.96%0.05944%0.436CS..Hα-helixtrans-59.8-43.4175.3-169.158.36000112.1L114 Q115 I118 L125 S126 Q128 C132 I133 M134L114-M130 HydrophobicContact CD2-SD 3.77Å; L114-M130 HydrophobicContact CG-SD 4.22Å; Q115-M130 HydrophobicContact CB-CE 4.25Å; Q115-M130 HydrophobicContact CB-CG 4.39Å; Q115-M130 HydrophobicContact CB-SD 4.33Å; Q115-M130 HydrophobicContact CG-CE 4.19Å; I118-M130 HydrophobicContact CB-CE 4.12Å; I118-M130 HydrophobicContact CD1-CE 3.77Å; I118-M130 HydrophobicContact CD1-SD 3.91Å; I118-M130 HydrophobicContact CG1-CE 4.5Å; I118-M130 HydrophobicContact CG2-CE 4.01Å; L125-M130 HydrophobicContact CB-CE 4.25Å; L125-M130 HydrophobicContact CD1-CE 4.05Å; S126-M130 PolarHBondContact O-N 3.2Å; Q128-M130 VanDerWaalsContact C-N 3.32Å; Q128-M130 PolarHBondContact O-N 2.92Å; M130-C132 VanDerWaalsContact C-N 3.31Å; M130-C132 PolarHBondContact O-N 2.93Å; M130-I133 PolarHBondContact O-N 2.92Å; M130-M134 WeakPolarHBondContact O-CG 3.3Å; M130-M134 PolarHBondContact O-N 2.89Å
131N89.6Confident87.6Confident99 Ų9978 Ų7853%0.52943%0.425SS..Hα-helixtrans-62.7-35.9176.1-81.2-39.1000112.9P127 Q128 A129 K135P127-N131 WeakPolarHBondContact O-CB 3.37Å; P127-N131 PolarHBondContact O-N 3.32Å; P127-N131 PolarHBondContact O-ND2 3.19Å; P127-N131 VanDerWaalsContact O-ND2 3.12Å; Q128-N131 PolarHBondContact O-N 3.19Å; A129-N131 VanDerWaalsContact C-N 3.34Å; A129-N131 PolarHBondContact O-N 3.4Å; N131-K135 WeakPolarHBondContact O-CG 3.43Å; N131-K135 PolarHBondContact O-N 2.99Å
132C90.9Very high87.7Confident88 Ų8880.2 Ų80.260%0.59543%0.432SS*.Hα-helixtrans-64.3-44173.8-70.70000111.6Q128 A129 M130 K135 R136Q128-C132 PolarHBondContact O-N 2.68Å; Q128-C132 VanDerWaalsContact O-N 3.12Å; A129-C132 WeakPolarHBondContact O-CB 3.33Å; A129-C132 PolarHBondContact O-N 3.36Å; M130-C132 VanDerWaalsContact C-N 3.31Å; M130-C132 PolarHBondContact O-N 2.93Å; C132-K135 PolarHBondContact O-N 3.43Å; C132-R136 WeakPolarHBondContact O-CB 3.25Å; C132-R136 PolarHBondContact O-N 3.47Å; C132-R136 VanDerWaalsContact O-N 3.11Å
133I90.3Very high87.9Confident24 Ų2477.4 Ų77.412%0.12340%0.403CS..Hα-helixtrans-61.4-49176.2-66.3170.4000110.1L114 I118 L125 A129 M130 K135 R136 Y137 C151 L155L114-I133 HydrophobicContact CD2-CG2 3.79Å; I118-I133 HydrophobicContact CD1-CD1 4.24Å; L125-I133 HydrophobicContact CD1-CD1 3.51Å; A129-I133 WeakPolarHBondContact O-CG1 3.5Å; A129-I133 PolarHBondContact O-N 3.47Å; M130-I133 PolarHBondContact O-N 2.92Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 2.98Å; I133-R136 PolarHBondContact O-N 2.87Å; I133-Y137 HydrophobicContact CG2-CD2 3.93Å; I133-Y137 HydrophobicContact CG2-CE2 4.49Å; I133-Y137 WeakPolarHBondContact O-CD2 3.46Å; I133-Y137 PolarHBondContact O-N 3.49Å; I133-C151 WeakPolarHBondContact CG2-SG 3.18Å; I133-L155 HydrophobicContact CD1-CD1 3.74Å
134M87.9Confident87.9Confident26 Ų2677.3 Ų77.313%0.12841%0.407CS..Hα-helixtrans-55-47.7177.3-77.7-59.6-61.200112.1G111 L114 M130 R136 S138 I143G111-M134 WeakPolarHBondContact CA-SD 3.21Å; L114-M134 HydrophobicContact CB-SD 4.24Å; L114-M134 HydrophobicContact CD2-CG 4.14Å; L114-M134 HydrophobicContact CD2-SD 3.48Å; L114-M134 WeakPolarHBondContact CD2-SD 3.18Å; L114-M134 HydrophobicContact CG-SD 4.48Å; M130-M134 WeakPolarHBondContact O-CG 3.3Å; M130-M134 PolarHBondContact O-N 2.89Å; M134-R136 PolarHBondContact O-N 3.4Å; M134-S138 WeakPolarHBondContact O-CA 3.41Å; M134-S138 WeakPolarHBondContact O-CB 3.18Å; M134-S138 PolarHBondContact O-N 3.13Å; M134-S138 PolarHBondContact O-OG 2.86Å; M134-I143 HydrophobicContact CE-CD1 4.28Å; M134-I143 HydrophobicContact SD-CD1 3.55Å; M134-I143 VanDerWaalsContact SD-CD1 3.55Å; M134-I143 HydrophobicContact SD-CG1 4.45Å
135K89.4Confident87.9Confident179 Ų17970 Ų7078%0.77837%0.367SS*.Hα-helixtrans-64.9-26.9178.5-75.1179.8178.1-177.10113.6N131 C132 I133N131-K135 WeakPolarHBondContact O-CG 3.43Å; N131-K135 PolarHBondContact O-N 2.99Å; C132-K135 PolarHBondContact O-N 3.43Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 2.98Å
136R89.3Confident87.8Confident151 Ų15168.6 Ų68.657%0.5736%0.36SS*.Hα-helixtrans-84.6-34.5-175.6-178.562.1-176.581.1-3.2113.6C132 I133 M134C132-R136 WeakPolarHBondContact O-CB 3.25Å; C132-R136 PolarHBondContact O-N 3.47Å; C132-R136 VanDerWaalsContact O-N 3.11Å; I133-R136 PolarHBondContact O-N 2.87Å; M134-R136 PolarHBondContact O-N 3.4Å
137Y87.8Confident87.7Confident18 Ų1868 Ų687%0.07135%0.351CS..Hα-helixtrans-116.1-15-170.3-68.1-82.4000113.6I133 E147 C151 R154I133-Y137 HydrophobicContact CG2-CD2 3.93Å; I133-Y137 HydrophobicContact CG2-CE2 4.49Å; I133-Y137 WeakPolarHBondContact O-CD2 3.46Å; I133-Y137 PolarHBondContact O-N 3.49Å; Y137-E147 HydrophobicContact CD1-CB 4.23Å; Y137-E147 VanDerWaalsContact CD1-O 3.31Å; Y137-E147 WeakPolarHBondContact CD1-O 3.36Å; Y137-E147 WeakPolarHBondContact CD1-OE2 3.31Å; Y137-C151 HydrophobicContact CD1-CB 3.95Å; Y137-C151 HydrophobicContact CD2-CB 3.86Å; Y137-C151 HydrophobicContact CE1-CB 3.97Å; Y137-C151 HydrophobicContact CE2-CB 3.87Å; Y137-C151 HydrophobicContact CG-CB 3.92Å; Y137-R154 WeakPolarHBondContact OH-CD 3.45Å
138S88Confident87.6Confident36 Ų3663.8 Ų63.825%0.25232%0.324SS..  trans-81.8139177.775.20000111.8M134 R142M134-S138 WeakPolarHBondContact O-CA 3.41Å; M134-S138 WeakPolarHBondContact O-CB 3.18Å; M134-S138 PolarHBondContact O-N 3.13Å; M134-S138 PolarHBondContact O-OG 2.86Å; S138-R142 WeakPolarHBondContact CA-O 3.31Å
139N82.9Confident87.5Confident104 Ų10456.5 Ų56.556%0.55629%0.289SS*.BIsolated β-bridgetrans-110115.1165.2-169.69.5000107.9G141 R142N139-G141 PolarHBondContact O-N 2.92Å; N139-R142 PolarHBondContact N-O 2.86Å; N139-R142 PolarHBondContact O-N 2.78Å; N139-R142 VanDerWaalsContact O-N 3.1Å
140H82.8Confident87.3Confident182 Ų18255 Ų5584%0.84328%0.277SS*.THydrogen-bonded Turntrans5434.8-175-56.7-69.6000114.7R142H140-R142 VanDerWaalsContact C-N 3.3Å; H140-R142 PolarHBondContact O-N 3.31Å
141G81.4Confident87.3Confident37 Ų3754.6 Ų54.638%0.38128%0.275SS..THydrogen-bonded Turntrans82.53.1178.900000114.9N139N139-G141 PolarHBondContact O-N 2.92Å
142R85.9Confident87.2Confident89 Ų8950 Ų5034%0.33625%0.251SS..EExtended strand (participates in β ladder)trans-119.7137.4177.5-76.7-179.7174.6-112.3-5.6110.2T108 E110 S138 N139 H140T108-R142 HydrophobicContact CG2-CB 4.11Å; T108-R142 PolarHBondContact OG1-NH1 2.95Å; T108-R142 VanDerWaalsContact OG1-NH1 3.12Å; E110-R142 HydrophobicContact CG-CG 4.33Å; E110-R142 IonicContact OE1-CZ 2.95Å; E110-R142 IonicContact OE1-NE 2.68Å; E110-R142 IonicContact OE1-NH2 3.19Å; E110-R142 PolarHBondContact OE1-NH2 3.32Å; S138-R142 WeakPolarHBondContact CA-O 3.31Å; N139-R142 PolarHBondContact N-O 2.86Å; N139-R142 PolarHBondContact O-N 2.78Å; N139-R142 VanDerWaalsContact O-N 3.1Å; H140-R142 VanDerWaalsContact C-N 3.3Å; H140-R142 PolarHBondContact O-N 3.31Å
143I89.4Confident87Confident0 Ų046.1 Ų46.10%023%0.225CC..EExtended strand (participates in β ladder)trans-107.6114.4-179.2-62.6171.9000108T108 V109 L114 M134 E147 F148T108-I143 CarbonylContact C-O 3.52Å; T108-I143 VanDerWaalsContact CA-O 3.23Å; T108-I143 WeakPolarHBondContact CA-O 3.3Å; V109-I143 HydrophobicContact CG2-CB 3.89Å; V109-I143 HydrophobicContact CG2-CG2 4.4Å; V109-I143 PolarHBondContact N-O 3.05Å; V109-I143 PolarHBondContact O-N 2.92Å; L114-I143 HydrophobicContact CB-CD1 4.31Å; L114-I143 HydrophobicContact CD1-CD1 3.99Å; L114-I143 HydrophobicContact CD2-CD1 3.57Å; L114-I143 HydrophobicContact CG-CD1 4.13Å; M134-I143 HydrophobicContact CE-CD1 4.28Å; M134-I143 HydrophobicContact SD-CD1 3.55Å; M134-I143 VanDerWaalsContact SD-CD1 3.55Å; M134-I143 HydrophobicContact SD-CG1 4.45Å; I143-E147 HydrophobicContact CG2-CB 3.89Å; I143-F148 HydrophobicContact CG2-CB 3.93Å
144P87.5Confident86.9Confident33 Ų3348.2 Ų48.221%0.21423%0.231CC..EExtended strand (participates in β ladder)trans-67.7161.4174.930.3-34.9000111.1D146 E147 F148P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 WeakPolarHBondContact CB-OD1 3.35Å; P144-D146 WeakPolarHBondContact CG-OD1 3.42Å; P144-D146 PolarHBondContact O-N 3.24Å; P144-E147 HydrophobicContact CG-CB 3.84Å; P144-E147 HydrophobicContact CG-CG 3.63Å; P144-E147 PolarHBondContact O-N 3.27Å; P144-F148 PolarHBondContact O-N 3.24Å
145F85.3Confident86.9Confident6 Ų648 Ų483%0.02623%0.23CC..Hα-helixtrans-55.6-41-176.1177.9-121.7000113.7Y56 F59 K95 F98 F148 V149Y56-F145 HydrophobicContact CD2-CB 4.02Å; Y56-F145 AromaticContact CD2-CD1 3.76Å; Y56-F145 HydrophobicContact CD2-CD1 3.76Å; Y56-F145 HydrophobicContact CD2-CD2 4.38Å; Y56-F145 HydrophobicContact CD2-CE1 4.31Å; Y56-F145 AromaticContact CD2-CG 3.79Å; Y56-F145 HydrophobicContact CD2-CG 3.79Å; Y56-F145 HydrophobicContact CE2-CG 4.42Å; Y56-F145 HydrophobicContact CG-CB 3.92Å; Y56-F145 HydrophobicContact CG-CD1 4.24Å; Y56-F145 HydrophobicContact CG-CG 4.19Å; F59-F145 HydrophobicContact CE1-CD1 4.37Å; F59-F145 HydrophobicContact CE1-CE1 4.18Å; F59-F145 HydrophobicContact CE2-CE1 4.04Å; F59-F145 AromaticContact CZ-CD1 3.92Å; F59-F145 HydrophobicContact CZ-CD1 3.92Å; F59-F145 AromaticContact CZ-CE1 3.39Å; F59-F145 HydrophobicContact CZ-CE1 3.39Å; F59-F145 HydrophobicContact CZ-CZ 4.13Å; K95-F145 HydrophobicContact CB-CE2 4.37Å; K95-F145 HydrophobicContact CB-CZ 4.07Å; K95-F145 HydrophobicContact CG-CZ 4.21Å; F98-F145 HydrophobicContact CB-CD2 3.97Å; F98-F145 HydrophobicContact CB-CE2 3.98Å; F98-F145 HydrophobicContact CD1-CB 4.43Å; F98-F145 AromaticContact CD1-CD2 3.64Å; F98-F145 HydrophobicContact CD1-CD2 3.64Å; F98-F145 HydrophobicContact CD1-CE2 4.34Å; F98-F145 HydrophobicContact CD1-CG 4.37Å; F98-F145 AromaticContact CD2-CD2 3.81Å; F98-F145 HydrophobicContact CD2-CD2 3.81Å; F98-F145 HydrophobicContact CE1-CB 3.94Å; F98-F145 HydrophobicContact CE1-CD2 4.02Å; F98-F145 HydrophobicContact CE1-CG 4.35Å; F98-F145 HydrophobicContact CE2-CB 4.2Å; F98-F145 HydrophobicContact CE2-CD2 4.14Å; F98-F145 AromaticContact CG-CD2 3.52Å; F98-F145 HydrophobicContact CG-CD2 3.52Å; F98-F145 HydrophobicContact CG-CE2 4.07Å; F98-F145 HydrophobicContact CZ-CB 3.8Å; F98-F145 HydrophobicContact CZ-CD2 4.24Å; F145-F148 WeakPolarHBondContact O-CB 3.47Å; F145-F148 PolarHBondContact O-N 3.05Å; F145-V149 HydrophobicContact CD2-CG2 4.16Å; F145-V149 HydrophobicContact CE1-CG2 4.29Å; F145-V149 HydrophobicContact CE2-CG2 3.69Å; F145-V149 HydrophobicContact CZ-CG2 3.76Å; F145-V149 WeakPolarHBondContact O-CG2 3.18Å; F145-V149 PolarHBondContact O-N 3.48Å
146D85.1Confident86.7Confident21 Ų2143.5 Ų43.511%0.11221%0.208CC..Hα-helixtrans-66.4-43.1-179.767.7-42.8000112.3F59 P144 F148 V149 S150F59-D146 HydrophobicContact CD1-CB 3.65Å; F59-D146 HydrophobicContact CE1-CB 4.15Å; F59-D146 HydrophobicContact CG-CB 4.36Å; P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 WeakPolarHBondContact CB-OD1 3.35Å; P144-D146 WeakPolarHBondContact CG-OD1 3.42Å; P144-D146 PolarHBondContact O-N 3.24Å; D146-F148 VanDerWaalsContact C-N 3.34Å; D146-V149 PolarHBondContact O-N 2.9Å; D146-S150 PolarHBondContact O-N 3.4Å; D146-S150 PolarHBondContact O-OG 2.91Å
147E87.9Confident86.5Confident45 Ų4537 Ų3721%0.2119%0.186CC..Hα-helixtrans-66-36.2173.8-70.2-65.5130.300111.9Y137 I143 P144 S150 C151Y137-E147 HydrophobicContact CD1-CB 4.23Å; Y137-E147 VanDerWaalsContact CD1-O 3.31Å; Y137-E147 WeakPolarHBondContact CD1-O 3.36Å; Y137-E147 WeakPolarHBondContact CD1-OE2 3.31Å; I143-E147 HydrophobicContact CG2-CB 3.89Å; P144-E147 HydrophobicContact CG-CB 3.84Å; P144-E147 HydrophobicContact CG-CG 3.63Å; P144-E147 PolarHBondContact O-N 3.27Å; E147-S150 PolarHBondContact O-N 2.94Å; E147-C151 WeakPolarHBondContact O-CB 3.41Å; E147-C151 PolarHBondContact O-N 3.42Å
148F88.3Confident86.5Confident1 Ų139.3 Ų39.30%0.00420%0.2CC..Hα-helixtrans-61.1-46.8173173.4-96.1000111.1W94 T97 F98 V109 L114 A117 M121 I143 P144 F145 D146 C151 C152W94-F148 HydrophobicContact CB-CE1 4.28Å; T97-F148 HydrophobicContact CG2-CZ 4.48Å; F98-F148 HydrophobicContact CB-CD1 4.18Å; F98-F148 HydrophobicContact CB-CE1 4.03Å; F98-F148 HydrophobicContact CD2-CB 3.89Å; F98-F148 AromaticContact CD2-CD1 3.55Å; F98-F148 HydrophobicContact CD2-CD1 3.55Å; F98-F148 HydrophobicContact CD2-CD2 4.16Å; F98-F148 HydrophobicContact CD2-CE1 4.08Å; F98-F148 AromaticContact CD2-CG 3.59Å; F98-F148 HydrophobicContact CD2-CG 3.59Å; F98-F148 HydrophobicContact CE2-CB 3.86Å; F98-F148 HydrophobicContact CE2-CD1 4.38Å; F98-F148 HydrophobicContact CE2-CG 4.05Å; F98-F148 HydrophobicContact CG-CD1 4.29Å; V109-F148 HydrophobicContact CG2-CD2 4.18Å; L114-F148 HydrophobicContact CD1-CD2 3.69Å; L114-F148 HydrophobicContact CD1-CE2 3.89Å; A117-F148 HydrophobicContact CB-CE2 3.9Å; A117-F148 HydrophobicContact CB-CZ 4.13Å; M121-F148 HydrophobicContact CE-CE2 4.28Å; M121-F148 HydrophobicContact CE-CZ 3.89Å; M121-F148 HydrophobicContact SD-CZ 4.46Å; I143-F148 HydrophobicContact CG2-CB 3.93Å; P144-F148 PolarHBondContact O-N 3.24Å; F145-F148 WeakPolarHBondContact O-CB 3.47Å; F145-F148 PolarHBondContact O-N 3.05Å; D146-F148 VanDerWaalsContact C-N 3.34Å; F148-C151 WeakPolarHBondContact O-CB 3.41Å; F148-C151 PolarHBondContact O-N 3.16Å; F148-C152 VanDerWaalsContact CE1-SG 3.55Å; F148-C152 VanDerWaalsContact CZ-SG 3.52Å; F148-C152 PolarHBondContact O-N 3.4Å; F148-C152 PolarHBondContact O-SG 3.02Å
149V86.9Confident86.6Confident0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-62.7-46.1176.5174.20000110.4F59 M67 L91 W94 F145 D146 C151 C152 V153F59-V149 HydrophobicContact CE1-CB 3.87Å; F59-V149 HydrophobicContact CE1-CG1 4.07Å; F59-V149 HydrophobicContact CE1-CG2 3.87Å; F59-V149 HydrophobicContact CZ-CG2 4.2Å; M67-V149 HydrophobicContact CE-CB 4.26Å; M67-V149 HydrophobicContact CE-CG1 3.41Å; M67-V149 VanDerWaalsContact CE-CG1 3.41Å; M67-V149 HydrophobicContact SD-CG1 4.2Å; L91-V149 HydrophobicContact CD2-CG1 3.58Å; L91-V149 HydrophobicContact CD2-CG2 4.37Å; W94-V149 HydrophobicContact CE3-CG1 3.87Å; W94-V149 HydrophobicContact CZ3-CG1 4.07Å; F145-V149 HydrophobicContact CD2-CG2 4.16Å; F145-V149 HydrophobicContact CE1-CG2 4.29Å; F145-V149 HydrophobicContact CE2-CG2 3.69Å; F145-V149 HydrophobicContact CZ-CG2 3.76Å; F145-V149 WeakPolarHBondContact O-CG2 3.18Å; F145-V149 PolarHBondContact O-N 3.48Å; D146-V149 PolarHBondContact O-N 2.9Å; V149-C151 VanDerWaalsContact C-N 3.28Å; V149-C151 PolarHBondContact O-N 3.26Å; V149-C152 WeakPolarHBondContact O-CB 2.99Å; V149-C152 PolarHBondContact O-N 3.05Å; V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.34Å; V149-V153 PolarHBondContact O-N 3.16Å
150S87.3Confident86.7Confident4 Ų437 Ų373%0.02819%0.185CC..Hα-helixtrans-58.2-39.4176.6-75.20000112.9S63 D146 E147 R154S63-S150 WeakPolarHBondContact CA-OG 3.42Å; S63-S150 WeakPolarHBondContact CB-OG 3.49Å; S63-S150 PolarHBondContact OG-OG 3.34Å; D146-S150 PolarHBondContact O-N 3.4Å; D146-S150 PolarHBondContact O-OG 2.91Å; E147-S150 PolarHBondContact O-N 2.94Å; S150-R154 VanDerWaalsContact O-CB 3.3Å; S150-R154 WeakPolarHBondContact O-CB 3.39Å; S150-R154 PolarHBondContact O-N 2.63Å; S150-R154 VanDerWaalsContact O-N 3.07Å
151C89.3Confident86.9Confident3 Ų330.7 Ų30.72%0.0216%0.156CC..Hα-helixtrans-61.4-49.5171.2175.20000111.4I133 Y137 E147 F148 V149 V153 R154 L155I133-C151 WeakPolarHBondContact CG2-SG 3.18Å; Y137-C151 HydrophobicContact CD1-CB 3.95Å; Y137-C151 HydrophobicContact CD2-CB 3.86Å; Y137-C151 HydrophobicContact CE1-CB 3.97Å; Y137-C151 HydrophobicContact CE2-CB 3.87Å; Y137-C151 HydrophobicContact CG-CB 3.92Å; E147-C151 WeakPolarHBondContact O-CB 3.41Å; E147-C151 PolarHBondContact O-N 3.42Å; F148-C151 WeakPolarHBondContact O-CB 3.41Å; F148-C151 PolarHBondContact O-N 3.16Å; V149-C151 VanDerWaalsContact C-N 3.28Å; V149-C151 PolarHBondContact O-N 3.26Å; C151-V153 PolarHBondContact O-N 3.2Å; C151-R154 PolarHBondContact O-N 3.39Å; C151-L155 WeakPolarHBondContact O-CB 3.5Å; C151-L155 PolarHBondContact O-N 3.36Å
152C88.1Confident87.3Confident4 Ų432.3 Ų32.33%0.02715%0.153CC..Hα-helixtrans-62.2-42.6-178.5-66.50000112.7W94 M121 F148 V149 L155 R156W94-C152 HydrophobicContact CD2-CB 3.88Å; W94-C152 HydrophobicContact CG-CB 4.12Å; W94-C152 HydrophobicContact CZ2-CB 4Å; M121-C152 VanDerWaalsContact CE-SG 3.55Å; F148-C152 VanDerWaalsContact CE1-SG 3.55Å; F148-C152 VanDerWaalsContact CZ-SG 3.52Å; F148-C152 PolarHBondContact O-N 3.4Å; F148-C152 PolarHBondContact O-SG 3.02Å; V149-C152 WeakPolarHBondContact O-CB 2.99Å; V149-C152 PolarHBondContact O-N 3.05Å; C152-L155 PolarHBondContact O-N 3.33Å; C152-R156 VanDerWaalsContact O-CB 3.3Å; C152-R156 WeakPolarHBondContact O-CB 3.48Å; C152-R156 PolarHBondContact O-N 2.84Å
153V86Confident87.4Confident6 Ų635.2 Ų35.24%0.03616%0.164CC..Hα-helixtrans-62.5-50.9177.4-179.40000109.7L66 M67 M70 W94 V149 C151 L155 R156 A157L66-V153 HydrophobicContact CD2-CB 3.63Å; L66-V153 HydrophobicContact CD2-CG1 3.66Å; L66-V153 HydrophobicContact CD2-CG2 4.47Å; M67-V153 HydrophobicContact CG-CG2 3.87Å; M70-V153 HydrophobicContact CB-CG1 3.48Å; M70-V153 VanDerWaalsContact CB-CG1 3.48Å; M70-V153 HydrophobicContact CE-CG1 4.39Å; M70-V153 HydrophobicContact CG-CG1 3.47Å; M70-V153 VanDerWaalsContact CG-CG1 3.47Å; M70-V153 HydrophobicContact SD-CG1 4.38Å; W94-V153 HydrophobicContact CE3-CG2 4.31Å; W94-V153 HydrophobicContact CH2-CB 4.07Å; W94-V153 HydrophobicContact CH2-CG2 3.33Å; W94-V153 HydrophobicContact CZ2-CG2 4.38Å; W94-V153 HydrophobicContact CZ3-CB 4.47Å; W94-V153 HydrophobicContact CZ3-CG2 3.3Å; V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.34Å; V149-V153 PolarHBondContact O-N 3.16Å; C151-V153 PolarHBondContact O-N 3.2Å; V153-L155 VanDerWaalsContact C-N 3.3Å; V153-L155 PolarHBondContact O-N 2.87Å; V153-R156 PolarHBondContact O-N 3.02Å; V153-A157 PolarHBondContact O-N 3.17Å
154R87.8Confident87.3Confident67 Ų6743.7 Ų43.725%0.25320%0.196SC..Hα-helixtrans-59.2-43.7179.2-178.1163.8-151.9150.215.2112M70 Y137 S150 C151 A157 L158 V187M70-R154 HydrophobicContact CE-CB 3.94Å; M70-R154 HydrophobicContact CE-CG 4.26Å; Y137-R154 WeakPolarHBondContact OH-CD 3.45Å; S150-R154 VanDerWaalsContact O-CB 3.3Å; S150-R154 WeakPolarHBondContact O-CB 3.39Å; S150-R154 PolarHBondContact O-N 2.63Å; S150-R154 VanDerWaalsContact O-N 3.07Å; C151-R154 PolarHBondContact O-N 3.39Å; R154-A157 PolarHBondContact O-N 3.44Å; R154-L158 HydrophobicContact CG-CD1 3.97Å; R154-L158 HydrophobicContact CG-CG 4.49Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 WeakPolarHBondContact O-CG 3.05Å; R154-L158 PolarHBondContact O-N 3.07Å; R154-V187 HydrophobicContact CG-CG1 3.71Å; R154-V187 PolarHBondContact NH2-O 2.74Å
155L89Confident87.3Confident21 Ų2145.2 Ų45.211%0.1120%0.198CC..Hα-helixtrans-67.4-40.4-178.9-164.3136.6000111.7Y123 L125 I133 C151 C152 V153 T159Y123-L155 HydrophobicContact CD1-CD2 3.2Å; Y123-L155 HydrophobicContact CD2-CD2 3.39Å; Y123-L155 HydrophobicContact CE1-CD2 3.25Å; Y123-L155 HydrophobicContact CE2-CD2 3.44Å; Y123-L155 VanDerWaalsContact CE2-CD2 3.44Å; Y123-L155 HydrophobicContact CG-CD2 3.25Å; L125-L155 HydrophobicContact CD1-CD1 3.59Å; I133-L155 HydrophobicContact CD1-CD1 3.74Å; C151-L155 WeakPolarHBondContact O-CB 3.5Å; C151-L155 PolarHBondContact O-N 3.36Å; C152-L155 PolarHBondContact O-N 3.33Å; V153-L155 VanDerWaalsContact C-N 3.3Å; V153-L155 PolarHBondContact O-N 2.87Å; L155-T159 VanDerWaalsContact O-CB 3.25Å; L155-T159 WeakPolarHBondContact O-CB 3.42Å; L155-T159 PolarHBondContact O-N 2.88Å; L155-T159 PolarHBondContact O-OG1 3.3Å
156R85.5Confident87.6Confident86 Ų8645.5 Ų45.533%0.32520%0.199SC..Hα-helixtrans-59.6-50.6173.5-179.6178.5176.7177.6-0.3111.3Y123 C152 V153 T159 D160Y123-R156 WeakPolarHBondContact OH-CA 3.37Å; C152-R156 VanDerWaalsContact O-CB 3.3Å; C152-R156 WeakPolarHBondContact O-CB 3.48Å; C152-R156 PolarHBondContact O-N 2.84Å; V153-R156 PolarHBondContact O-N 3.02Å; R156-T159 WeakPolarHBondContact O-CB 3.48Å; R156-T159 PolarHBondContact O-N 2.69Å; R156-D160 PolarHBondContact O-N 3.26Å
157A84.6Confident87.7Confident13 Ų1350.4 Ų50.411%0.10723%0.23CC..Hα-helixtrans-65.7-43.3-176.800000113.2M70 V153 R154 T159 D160 Q161 V187M70-A157 HydrophobicContact CB-CB 4.3Å; M70-A157 HydrophobicContact CE-CB 4.37Å; M70-A157 HydrophobicContact CG-CB 4.24Å; M70-A157 HydrophobicContact SD-CB 3.02Å; M70-A157 WeakPolarHBondContact SD-CB 3.4Å; V153-A157 PolarHBondContact O-N 3.17Å; R154-A157 PolarHBondContact O-N 3.44Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.28Å; A157-D160 PolarHBondContact O-N 3.04Å; A157-Q161 WeakPolarHBondContact O-CB 3.35Å; A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.12Å; A157-V187 HydrophobicContact CB-CG2 4.48Å
158L88.3Confident87.7Confident67 Ų6751.9 Ų51.935%0.35125%0.246SC..Hα-helixtrans-62-39.2173.8-70.4174.1000111.2R154 Q161 F162 V183 V187R154-L158 HydrophobicContact CG-CD1 3.97Å; R154-L158 HydrophobicContact CG-CG 4.49Å; R154-L158 WeakPolarHBondContact O-CB 3.43Å; R154-L158 WeakPolarHBondContact O-CG 3.05Å; R154-L158 PolarHBondContact O-N 3.07Å; L158-Q161 PolarHBondContact O-N 3.02Å; L158-F162 VanDerWaalsContact O-CB 3.26Å; L158-F162 WeakPolarHBondContact O-CB 3.44Å; L158-F162 PolarHBondContact O-N 3.11Å; L158-V183 HydrophobicContact CD2-CG1 4.42Å; L158-V187 HydrophobicContact CD1-CG1 4.42Å; L158-V187 HydrophobicContact CD2-CB 4.49Å; L158-V187 HydrophobicContact CD2-CG1 3.95Å; L158-V187 HydrophobicContact CD2-CG2 4.43Å; L158-V187 HydrophobicContact CG-CG1 3.88Å
159T88.9Confident87.6Confident30 Ų3059.4 Ų59.418%0.18428%0.28CS..Hα-helixtrans-64.8-42.4175.7-58.60000111.5Y123 L155 R156 A157 F162 R163Y123-T159 HydrophobicContact CE1-CG2 4.05Å; L155-T159 VanDerWaalsContact O-CB 3.25Å; L155-T159 WeakPolarHBondContact O-CB 3.42Å; L155-T159 PolarHBondContact O-N 2.88Å; L155-T159 PolarHBondContact O-OG1 3.3Å; R156-T159 WeakPolarHBondContact O-CB 3.48Å; R156-T159 PolarHBondContact O-N 2.69Å; A157-T159 VanDerWaalsContact C-N 3.28Å; A157-T159 PolarHBondContact O-N 3.28Å; T159-F162 PolarHBondContact O-N 3.29Å; T159-R163 HydrophobicContact CG2-CG 4.29Å; T159-R163 WeakPolarHBondContact O-CB 3.46Å; T159-R163 VanDerWaalsContact O-CG 3.3Å; T159-R163 WeakPolarHBondContact O-CG 3.48Å; T159-R163 PolarHBondContact O-N 3.39Å
160D86.1Confident87.8Confident61 Ų6162.7 Ų62.733%0.32630%0.303SS..Hα-helixtrans-64.9-43.1178.1-74.2-16.9000111.1R156 A157 F162 R163 R164R156-D160 PolarHBondContact O-N 3.26Å; A157-D160 PolarHBondContact O-N 3.04Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 3.34Å; D160-R163 PolarHBondContact O-N 3.01Å; D160-R164 VanDerWaalsContact O-CG 3.28Å; D160-R164 WeakPolarHBondContact O-CG 3.14Å; D160-R164 PolarHBondContact O-N 2.63Å
161Q86.8Confident87.8Confident50 Ų5064.8 Ų64.823%0.23433%0.326CS..Hα-helixtrans-65-37.6175.4-70.4-69.4-7.600112.6A157 L158 R165 V183A157-Q161 WeakPolarHBondContact O-CB 3.35Å; A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.12Å; L158-Q161 PolarHBondContact O-N 3.02Å; Q161-R165 PolarHBondContact O-NH1 2.73Å; Q161-R165 VanDerWaalsContact O-NH1 3.08Å; Q161-V183 HydrophobicContact CB-CG1 3.75Å; Q161-V183 HydrophobicContact CG-CG1 3.94Å
162F89.5Confident87.8Confident71 Ų7170.3 Ų70.331%0.31136%0.355SS..Hα-helixtrans-65.1-49.9173.8-176.5-86.1000111.3L158 T159 D160 R164 R165 D166 G171 A173 F175L158-F162 VanDerWaalsContact O-CB 3.26Å; L158-F162 WeakPolarHBondContact O-CB 3.44Å; L158-F162 PolarHBondContact O-N 3.11Å; T159-F162 PolarHBondContact O-N 3.29Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 3.34Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 2.83Å; F162-R165 CarbonylContact O-C 3.59Å; F162-R165 PolarHBondContact O-N 2.8Å; F162-D166 HydrophobicContact CD1-CB 4.32Å; F162-D166 HydrophobicContact CE1-CB 3.97Å; F162-D166 PolarHBondContact O-N 2.75Å; F162-G171 WeakPolarHBondContact CZ-O 3.42Å; F162-A173 HydrophobicContact CD2-CB 3.81Å; F162-A173 HydrophobicContact CE2-CB 3.57Å; F162-A173 HydrophobicContact CG-CB 4.39Å; F162-A173 HydrophobicContact CZ-CB 3.94Å; F162-F175 HydrophobicContact CD2-CE2 4.34Å; F162-F175 HydrophobicContact CD2-CZ 4.44Å
163R88.4Confident87.8Confident150 Ų15071.4 Ų71.457%0.56636%0.364SS*.Hα-helixtrans-62.4-35-179.2-77.8178.9173.7179-0.8113.2T159 D160 R165T159-R163 HydrophobicContact CG2-CG 4.29Å; T159-R163 WeakPolarHBondContact O-CB 3.46Å; T159-R163 VanDerWaalsContact O-CG 3.3Å; T159-R163 WeakPolarHBondContact O-CG 3.48Å; T159-R163 PolarHBondContact O-N 3.39Å; D160-R163 PolarHBondContact O-N 3.01Å; R163-R165 PolarHBondContact O-N 2.92Å
164R87.1Confident88Confident179 Ų17976.7 Ų76.768%0.67540%0.402SS*.Hα-helixtrans-61.5-28.5174-75.6174.4-176.1-164.83.2112.8D160 F162D160-R164 VanDerWaalsContact O-CG 3.28Å; D160-R164 WeakPolarHBondContact O-CG 3.14Å; D160-R164 PolarHBondContact O-N 2.63Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 2.83Å
165R87.4Confident88.1Confident65 Ų6576.7 Ų76.725%0.24540%0.404CS..Hα-helixtrans-97.7-26.7-179.4-71.5172.8-179.1730.3113.3Q161 F162 R163 T167 A173 D179Q161-R165 PolarHBondContact O-NH1 2.73Å; Q161-R165 VanDerWaalsContact O-NH1 3.08Å; F162-R165 CarbonylContact O-C 3.59Å; F162-R165 PolarHBondContact O-N 2.8Å; R163-R165 PolarHBondContact O-N 2.92Å; R165-T167 PolarHBondContact O-N 3.23Å; R165-A173 HydrophobicContact CB-CB 4.02Å; R165-D179 IonicContact CZ-OD1 3.71Å; R165-D179 IonicContact CZ-OD2 3.24Å; R165-D179 VanDerWaalsContact CZ-OD2 3.24Å; R165-D179 IonicContact NE-OD1 3.99Å; R165-D179 IonicContact NE-OD2 2.75Å; R165-D179 PolarHBondContact NE-OD2 3.21Å; R165-D179 IonicContact NH2-OD1 2.74Å; R165-D179 PolarHBondContact NH2-OD1 3.21Å; R165-D179 IonicContact NH2-OD2 3.57Å; R165-D179 PolarHBondContact NH2-OD2 3.4Å
166D91.4Very high88.3Confident11 Ų1183.4 Ų83.46%0.05944%0.435CS..  trans-78.566.8170.4-175.314.4000111.1F162 S168 H169 S170 G171F162-D166 HydrophobicContact CD1-CB 4.32Å; F162-D166 HydrophobicContact CE1-CB 3.97Å; F162-D166 PolarHBondContact O-N 2.75Å; D166-S168 PolarHBondContact O-N 2.85Å; D166-S168 VanDerWaalsContact O-N 3.16Å; D166-S168 PolarHBondContact OD1-OG 3.42Å; D166-H169 PolarHBondContact O-N 3.36Å; D166-H169 VanDerWaalsContact O-N 3.16Å; D166-H169 WeakPolarHBondContact OD1-CA 3.05Å; D166-H169 PolarHBondContact OD1-N 3.28Å; D166-H169 VanDerWaalsContact OD2-CA 3.31Å; D166-H169 WeakPolarHBondContact OD2-CA 3.49Å; D166-S170 PolarHBondContact OD1-N 3.19Å; D166-S170 PolarHBondContact OD1-OG 3.16Å; D166-S170 PolarHBondContact OD2-N 3.14Å; D166-G171 WeakPolarHBondContact OD2-CA 3.49Å; D166-G171 PolarHBondContact OD2-N 3.03Å
167T86.6Confident88.6Confident124 Ų12487.4 Ų87.476%0.76145%0.451SS*.THydrogen-bonded Turntrans-63.3-19.2178.257.60000112.9R165R165-T167 PolarHBondContact O-N 3.23Å
168S89.4Confident89Confident77 Ų7792.8 Ų92.854%0.53848%0.478SS..THydrogen-bonded Turntrans-90-9.8179.659.70000114.2D166 S170D166-S168 PolarHBondContact O-N 2.85Å; D166-S168 VanDerWaalsContact O-N 3.16Å; D166-S168 PolarHBondContact OD1-OG 3.42Å; S168-S170 PolarHBondContact O-N 2.83Å; S168-S170 WeakPolarHBondContact OG-CB 3.37Å; S168-S170 PolarHBondContact OG-N 3.38Å; S168-S170 PolarHBondContact OG-OG 3.4Å
169H85.8Confident89Confident158 Ų15891.7 Ų91.773%0.73147%0.472SS*.  trans49.335.1-168.6-59.5-60.3000113.3D166 G171D166-H169 PolarHBondContact O-N 3.36Å; D166-H169 VanDerWaalsContact O-N 3.16Å; D166-H169 WeakPolarHBondContact OD1-CA 3.05Å; D166-H169 PolarHBondContact OD1-N 3.28Å; D166-H169 VanDerWaalsContact OD2-CA 3.31Å; D166-H169 WeakPolarHBondContact OD2-CA 3.49Å; H169-G171 VanDerWaalsContact C-N 3.34Å
170S89.8Confident89Confident69 Ų6995 Ų9548%0.48349%0.485SS..SBendtrans-84.6-12.4-177.961.40000112.7D166 S168 N172D166-S170 PolarHBondContact OD1-N 3.19Å; D166-S170 PolarHBondContact OD1-OG 3.16Å; D166-S170 PolarHBondContact OD2-N 3.14Å; S168-S170 PolarHBondContact O-N 2.83Å; S168-S170 WeakPolarHBondContact OG-CB 3.37Å; S168-S170 PolarHBondContact OG-N 3.38Å; S168-S170 PolarHBondContact OG-OG 3.4Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-OD1 2.79Å; S170-N172 PolarHBondContact OG-N 3.25Å
171G87.8Confident89.3Confident49 Ų4994.9 Ų94.951%0.50548%0.483SS..SBendtrans8211.8-168.900000112.9F162 D166 H169F162-G171 WeakPolarHBondContact CZ-O 3.42Å; D166-G171 WeakPolarHBondContact OD2-CA 3.49Å; D166-G171 PolarHBondContact OD2-N 3.03Å; H169-G171 VanDerWaalsContact C-N 3.34Å
172N89.2Confident89.2Confident119 Ų11998.7 Ų98.764%0.63650%0.501SS*.  trans-128130.7178.8-67.269.5000110S170S170-N172 VanDerWaalsContact C-N 3.31Å; S170-N172 PolarHBondContact O-OD1 2.79Å; S170-N172 PolarHBondContact OG-N 3.25Å
173A88.8Confident88.9Confident26 Ų2695.8 Ų95.822%0.21549%0.489CS..  trans-126.1137.5173.400000109.8F162 R165 F175F162-A173 HydrophobicContact CD2-CB 3.81Å; F162-A173 HydrophobicContact CE2-CB 3.57Å; F162-A173 HydrophobicContact CG-CB 4.39Å; F162-A173 HydrophobicContact CZ-CB 3.94Å; R165-A173 HydrophobicContact CB-CB 4.02Å; A173-F175 HydrophobicContact CB-CD2 4.37Å; A173-F175 HydrophobicContact CB-CE2 3.63Å; A173-F175 HydrophobicContact CB-CZ 4.18Å
174S89Confident88.7Confident118 Ų11890.2 Ų90.283%0.82547%0.472SS*.  trans-96.5133.2173.8-65.30000109.7
175F90.1Very high88.6Confident67 Ų6788.7 Ų88.729%0.29447%0.474SS..  trans-121.8136.5177.6-65.7-98000110F162 A173 F180F162-F175 HydrophobicContact CD2-CE2 4.34Å; F162-F175 HydrophobicContact CD2-CZ 4.44Å; A173-F175 HydrophobicContact CB-CD2 4.37Å; A173-F175 HydrophobicContact CB-CE2 3.63Å; A173-F175 HydrophobicContact CB-CZ 4.18Å; F175-F180 HydrophobicContact CB-CB 3.96Å; F175-F180 HydrophobicContact CG-CB 4.5Å; F175-F180 HydrophobicContact CG-CD2 4.42Å
176Q93.6Very high87.9Confident161 Ų16188.4 Ų88.475%0.75248%0.482SS*.  trans-72.4152.8160.2-67.3-168.6-45.700109.1D178 D179 F180Q176-D178 PolarHBondContact O-N 2.97Å; Q176-D179 HydrophobicContact CB-CB 4.23Å; Q176-D179 PolarHBondContact O-N 3.12Å; Q176-F180 WeakPolarHBondContact O-CB 3.5Å; Q176-F180 PolarHBondContact O-N 2.9Å
177Y92Very high86.9Confident171 Ų17188.9 Ų88.967%0.67149%0.485SS*.Hα-helixtrans-57.6-51.3-175.3175.5-103.4000112.4D179 F180 I181Y177-D179 VanDerWaalsContact C-N 3.3Å; Y177-D179 PolarHBondContact O-N 3.12Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.79Å; Y177-I181 HydrophobicContact CD1-CG1 4.44Å; Y177-I181 HydrophobicContact CD2-CG1 4.37Å; Y177-I181 HydrophobicContact CE1-CG1 4Å; Y177-I181 HydrophobicContact CE2-CD1 3.98Å; Y177-I181 HydrophobicContact CE2-CG1 3.92Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 3.02Å
178D92.6Very high86.9Confident125 Ų12587.2 Ų87.267%0.66847%0.471SS*.Hα-helixtrans-60.8-40.7179.1-67-74.3000112.3Q176 I181 Q182Q176-D178 PolarHBondContact O-N 2.97Å; D178-I181 PolarHBondContact O-N 3.48Å; D178-Q182 WeakPolarHBondContact O-CB 3.23Å; D178-Q182 PolarHBondContact O-N 3.09Å
179D87.9Confident86.8Confident45 Ų4587.7 Ų87.724%0.24147%0.468CS..Hα-helixtrans-64.8-40.3177.2-174.643.7000111.8R165 Q176 Y177 Q182 V183R165-D179 IonicContact CZ-OD1 3.71Å; R165-D179 IonicContact CZ-OD2 3.24Å; R165-D179 VanDerWaalsContact CZ-OD2 3.24Å; R165-D179 IonicContact NE-OD1 3.99Å; R165-D179 IonicContact NE-OD2 2.75Å; R165-D179 PolarHBondContact NE-OD2 3.21Å; R165-D179 IonicContact NH2-OD1 2.74Å; R165-D179 PolarHBondContact NH2-OD1 3.21Å; R165-D179 IonicContact NH2-OD2 3.57Å; R165-D179 PolarHBondContact NH2-OD2 3.4Å; Q176-D179 HydrophobicContact CB-CB 4.23Å; Q176-D179 PolarHBondContact O-N 3.12Å; Y177-D179 VanDerWaalsContact C-N 3.3Å; Y177-D179 PolarHBondContact O-N 3.12Å; D179-Q182 PolarHBondContact O-N 3.01Å; D179-V183 WeakPolarHBondContact O-CB 3.38Å; D179-V183 VanDerWaalsContact O-CG2 3.27Å; D179-V183 WeakPolarHBondContact O-CG2 3.41Å; D179-V183 PolarHBondContact O-N 2.89Å
180F89.9Confident86.8Confident100 Ų10083.8 Ų83.844%0.43945%0.453SS..Hα-helixtrans-62.4-45173.8177.1-102.7000111.9F175 Q176 Y177 V183 T184F175-F180 HydrophobicContact CB-CB 3.96Å; F175-F180 HydrophobicContact CG-CB 4.5Å; F175-F180 HydrophobicContact CG-CD2 4.42Å; Q176-F180 WeakPolarHBondContact O-CB 3.5Å; Q176-F180 PolarHBondContact O-N 2.9Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.79Å; F180-V183 PolarHBondContact O-N 3.2Å; F180-T184 HydrophobicContact CD2-CG2 4.12Å; F180-T184 HydrophobicContact CE1-CG2 4.16Å; F180-T184 HydrophobicContact CE2-CG2 3.7Å; F180-T184 HydrophobicContact CZ-CG2 3.73Å; F180-T184 WeakPolarHBondContact O-CB 3.47Å; F180-T184 WeakPolarHBondContact O-CG2 3.35Å; F180-T184 PolarHBondContact O-N 3.27Å; F180-T184 PolarHBondContact O-OG1 3.1Å
181I91.5Very high86.6Confident58 Ų5884.6 Ų84.630%0.29745%0.452SS..Hα-helixtrans-63.6-44.8177-63.8-60.5000110.4Y177 D178 V183 T184 M185Y177-I181 HydrophobicContact CD1-CG1 4.44Å; Y177-I181 HydrophobicContact CD2-CG1 4.37Å; Y177-I181 HydrophobicContact CE1-CG1 4Å; Y177-I181 HydrophobicContact CE2-CD1 3.98Å; Y177-I181 HydrophobicContact CE2-CG1 3.92Å; Y177-I181 WeakPolarHBondContact O-CG1 3.47Å; Y177-I181 PolarHBondContact O-N 3.02Å; D178-I181 PolarHBondContact O-N 3.48Å; I181-V183 PolarHBondContact O-N 2.96Å; I181-T184 PolarHBondContact O-N 3.48Å; I181-T184 PolarHBondContact O-OG1 3.12Å; I181-M185 HydrophobicContact CG2-CG 4.02Å; I181-M185 VanDerWaalsContact O-CB 3.25Å; I181-M185 WeakPolarHBondContact O-CB 3.48Å; I181-M185 VanDerWaalsContact O-CG 3.23Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.19Å
182Q84.9Confident86.6Confident130 Ų13086.9 Ų86.961%0.60745%0.448SS*.Hα-helixtrans-59.9-48.5178.4-175.3176.7-1300111.5D178 D179 T184 M185 S186D178-Q182 WeakPolarHBondContact O-CB 3.23Å; D178-Q182 PolarHBondContact O-N 3.09Å; D179-Q182 PolarHBondContact O-N 3.01Å; Q182-T184 VanDerWaalsContact C-N 3.34Å; Q182-T184 PolarHBondContact O-N 3.05Å; Q182-M185 PolarHBondContact O-N 3.12Å; Q182-S186 WeakPolarHBondContact O-CB 3.33Å; Q182-S186 PolarHBondContact O-N 2.87Å; Q182-S186 PolarHBondContact O-OG 3.04Å; Q182-S186 VanDerWaalsContact O-OG 3.07Å
183V84.2Confident86.4Confident9 Ų984.7 Ų84.76%0.05544%0.436CS..Hα-helixtrans-63.1-38.9178.8167.30000112.2L158 Q161 D179 F180 I181 S186 V187L158-V183 HydrophobicContact CD2-CG1 4.42Å; Q161-V183 HydrophobicContact CB-CG1 3.75Å; Q161-V183 HydrophobicContact CG-CG1 3.94Å; D179-V183 WeakPolarHBondContact O-CB 3.38Å; D179-V183 VanDerWaalsContact O-CG2 3.27Å; D179-V183 WeakPolarHBondContact O-CG2 3.41Å; D179-V183 PolarHBondContact O-N 2.89Å; F180-V183 PolarHBondContact O-N 3.2Å; I181-V183 PolarHBondContact O-N 2.96Å; V183-S186 PolarHBondContact O-OG 3.19Å; V183-V187 WeakPolarHBondContact O-CG2 3.19Å
184T84.8Confident86.2Confident34 Ų3488.9 Ų88.921%0.20945%0.451CS..Hα-helixtrans-80.2-28.5-176.751.10000113.3F180 I181 Q182F180-T184 HydrophobicContact CD2-CG2 4.12Å; F180-T184 HydrophobicContact CE1-CG2 4.16Å; F180-T184 HydrophobicContact CE2-CG2 3.7Å; F180-T184 HydrophobicContact CZ-CG2 3.73Å; F180-T184 WeakPolarHBondContact O-CB 3.47Å; F180-T184 WeakPolarHBondContact O-CG2 3.35Å; F180-T184 PolarHBondContact O-N 3.27Å; F180-T184 PolarHBondContact O-OG1 3.1Å; I181-T184 PolarHBondContact O-N 3.48Å; I181-T184 PolarHBondContact O-OG1 3.12Å; Q182-T184 VanDerWaalsContact C-N 3.34Å; Q182-T184 PolarHBondContact O-N 3.05Å
185M83.6Confident86Confident147 Ų14786.7 Ų86.772%0.72442%0.423SS*.Hα-helixtrans-89.3-22.9-179.7-66.8-65170.600113.8I181 Q182 V187I181-M185 HydrophobicContact CG2-CG 4.02Å; I181-M185 VanDerWaalsContact O-CB 3.25Å; I181-M185 WeakPolarHBondContact O-CB 3.48Å; I181-M185 VanDerWaalsContact O-CG 3.23Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.19Å; Q182-M185 PolarHBondContact O-N 3.12Å; M185-V187 PolarHBondContact O-N 2.97Å
186S73.5Confident85.7Confident58 Ų5888.3 Ų88.341%0.40643%0.433SS..  trans-71.8-5.3172.263.60000113.4Q182 V183Q182-S186 WeakPolarHBondContact O-CB 3.33Å; Q182-S186 PolarHBondContact O-N 2.87Å; Q182-S186 PolarHBondContact O-OG 3.04Å; Q182-S186 VanDerWaalsContact O-OG 3.07Å; V183-S186 PolarHBondContact O-OG 3.19Å
187V69.8Low85Confident22 Ų2281.7 Ų81.713%0.13340%0.404CS..  trans-121.50-165.9170.70000110.3M70 R154 A157 L158 V183 M185M70-V187 HydrophobicContact CE-CB 3.91Å; M70-V187 HydrophobicContact CE-CG1 3.27Å; M70-V187 HydrophobicContact CE-CG2 4.43Å; M70-V187 WeakPolarHBondContact CE-OXT 3.42Å; M70-V187 HydrophobicContact SD-CB 4.04Å; M70-V187 HydrophobicContact SD-CG1 3.67Å; M70-V187 HydrophobicContact SD-CG2 3.9Å; R154-V187 HydrophobicContact CG-CG1 3.71Å; R154-V187 PolarHBondContact NH2-O 2.74Å; A157-V187 HydrophobicContact CB-CG2 4.48Å; L158-V187 HydrophobicContact CD1-CG1 4.42Å; L158-V187 HydrophobicContact CD2-CB 4.49Å; L158-V187 HydrophobicContact CD2-CG1 3.95Å; L158-V187 HydrophobicContact CD2-CG2 4.43Å; L158-V187 HydrophobicContact CG-CG1 3.88Å; V183-V187 WeakPolarHBondContact O-CG2 3.19Å; M185-V187 PolarHBondContact O-N 2.97Å

Retrieved 187 of 187 residues in 173.6 ms (Link to these results)

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