Q99PA8_MOUSE Loading...

Mage-e2

AlphaFold DB , UniProt , Accession Q99PA8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 135 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
1S70.9Confident81.9Confident7 Ų745.6 Ų45.65%0.04924%0.242CC..  0127.10-44.60000110.2E3 E57 F58 N123S1-E3 PolarHBondContact O-N 3.23Å; S1-E57 CarbonylContact O-C 3.48Å; S1-E57 WeakPolarHBondContact O-CA 3.26Å; S1-E57 VanDerWaalsContact O-CB 3.24Å; S1-E57 WeakPolarHBondContact O-CB 3.24Å; S1-F58 PolarHBondContact N-O 3.22Å; S1-F58 PolarHBondContact O-N 3.41Å; S1-N123 WeakPolarHBondContact CA-ND2 3.33Å; S1-N123 WeakPolarHBondContact CA-OD1 3.32Å; S1-N123 WeakPolarHBondContact CB-OD1 3.46Å; S1-N123 WeakPolarHBondContact OG-CA 3.29Å; S1-N123 WeakPolarHBondContact OG-CB 3.49Å; S1-N123 PolarHBondContact OG-N 3.26Å; S1-N123 PolarHBondContact OG-OD1 2.73Å
2R84.4Confident81.4Confident127 Ų12750.4 Ų50.448%0.47926%0.259SS..BIsolated β-bridgetrans-57137.7178.2-68-174.5-174.5-159.810.5109.9A4 S5 I6 E55R2-A4 PolarHBondContact O-N 2.87Å; R2-S5 PolarHBondContact O-N 3.22Å; R2-S5 VanDerWaalsContact O-N 3.15Å; R2-I6 PolarHBondContact O-N 3.06Å; R2-E55 WeakPolarHBondContact CD-OE2 3.33Å; R2-E55 IonicContact CZ-OE2 3.31Å; R2-E55 IonicContact NE-OE2 3.03Å; R2-E55 PolarHBondContact NE-OE2 2.99Å; R2-E55 IonicContact NH1-OE1 2.68Å; R2-E55 PolarHBondContact NH1-OE1 3.24Å; R2-E55 IonicContact NH1-OE2 3.6Å; R2-E55 PolarHBondContact NH1-OE2 3.29Å
3E87.1Confident80.8Confident25 Ų2552.2 Ų52.212%0.11727%0.273CS..Hα-helixtrans-51.9-42.7-179.5173.7-174.618000110.8S1 S5 I6 W7 R21 Y45 F56 F58S1-E3 PolarHBondContact O-N 3.23Å; E3-S5 PolarHBondContact O-N 3.5Å; E3-I6 PolarHBondContact O-N 2.79Å; E3-I6 VanDerWaalsContact O-N 3.17Å; E3-W7 VanDerWaalsContact CD-NE1 3.34Å; E3-W7 VanDerWaalsContact CG-CD1 3.48Å; E3-W7 PolarHBondContact O-N 3.31Å; E3-W7 VanDerWaalsContact O-N 3.13Å; E3-W7 PolarHBondContact OE1-NE1 3.44Å; E3-R21 IonicContact OE1-CZ 3.88Å; E3-R21 IonicContact OE1-NH1 2.97Å; E3-R21 PolarHBondContact OE1-NH1 2.97Å; E3-R21 IonicContact OE1-NH2 3.96Å; E3-Y45 PolarHBondContact OE2-OH 3.14Å; E3-F56 HydrophobicContact CB-CB 4.2Å; E3-F56 WeakPolarHBondContact CB-O 3.31Å; E3-F56 PolarHBondContact N-O 2.68Å; E3-F58 HydrophobicContact CB-CE2 4.21Å; E3-F58 HydrophobicContact CG-CE2 3.98Å
4A84.7Confident80.1Confident60 Ų6058.2 Ų58.250%0.49631%0.306SS..Hα-helixtrans-55.1-48.2179.500000113R2 I6 W7 D8R2-A4 PolarHBondContact O-N 2.87Å; A4-I6 VanDerWaalsContact C-N 3.28Å; A4-I6 PolarHBondContact O-N 3.24Å; A4-W7 PolarHBondContact O-N 3.45Å; A4-W7 VanDerWaalsContact O-N 3.12Å; A4-D8 PolarHBondContact O-N 3.04Å
5S82.9Confident79.5Confident25 Ų2557.2 Ų57.218%0.17530%0.303CS..Hα-helixtrans-63.3-33.7-179.9-54.60000112.7R2 E3 D8 L9 I130R2-S5 PolarHBondContact O-N 3.22Å; R2-S5 VanDerWaalsContact O-N 3.15Å; E3-S5 PolarHBondContact O-N 3.5Å; S5-D8 PolarHBondContact O-N 3.43Å; S5-L9 PolarHBondContact O-N 3.01Å; S5-I130 WeakPolarHBondContact O-CD1 3.32Å
6I84Confident79Confident26 Ų2653.9 Ų53.913%0.13329%0.286CS..Hα-helixtrans-67.7-40.9175.7-63.2-69.6000110.6R2 E3 A4 L9 L10 L33 F58 V126R2-I6 PolarHBondContact O-N 3.06Å; E3-I6 PolarHBondContact O-N 2.79Å; E3-I6 VanDerWaalsContact O-N 3.17Å; A4-I6 VanDerWaalsContact C-N 3.28Å; A4-I6 PolarHBondContact O-N 3.24Å; I6-L9 PolarHBondContact O-N 3.37Å; I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 HydrophobicContact CG2-CG 4.43Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.24Å; I6-L10 PolarHBondContact O-N 3.13Å; I6-L33 HydrophobicContact CG2-CD1 4.2Å; I6-F58 HydrophobicContact CB-CD2 4.29Å; I6-F58 HydrophobicContact CG1-CD2 3.96Å; I6-F58 HydrophobicContact CG2-CD2 4.4Å; I6-F58 HydrophobicContact CG2-CE2 4.42Å; I6-V126 HydrophobicContact CD1-CB 4.26Å; I6-V126 HydrophobicContact CD1-CG1 3.58Å; I6-V126 HydrophobicContact CD1-CG2 3.7Å
7W84.4Confident78.1Confident10 Ų1057.9 Ų57.94%0.03831%0.307CS..Hα-helixtrans-65.2-41.2175.8-64.8118.9000112.6E3 A4 L9 L10 L11 I16 R21 T29 R30 L33E3-W7 VanDerWaalsContact CD-NE1 3.34Å; E3-W7 VanDerWaalsContact CG-CD1 3.48Å; E3-W7 PolarHBondContact O-N 3.31Å; E3-W7 VanDerWaalsContact O-N 3.13Å; E3-W7 PolarHBondContact OE1-NE1 3.44Å; A4-W7 PolarHBondContact O-N 3.45Å; A4-W7 VanDerWaalsContact O-N 3.12Å; W7-L9 VanDerWaalsContact C-N 3.32Å; W7-L9 PolarHBondContact O-N 2.98Å; W7-L10 HydrophobicContact CE3-CD1 3.94Å; W7-L10 HydrophobicContact CZ3-CD1 3.9Å; W7-L10 PolarHBondContact O-N 3.01Å; W7-L11 WeakPolarHBondContact O-CG 3.33Å; W7-L11 PolarHBondContact O-N 2.92Å; W7-I16 HydrophobicContact CE3-CD1 3.91Å; W7-I16 HydrophobicContact CZ3-CD1 4.43Å; W7-R21 VanDerWaalsContact CD1-CZ 3.46Å; W7-R21 HydrophobicContact CD2-CG 4.45Å; W7-R21 HydrophobicContact CE3-CG 4.01Å; W7-R21 HydrophobicContact CZ3-CB 4.14Å; W7-R21 HydrophobicContact CZ3-CG 4.08Å; W7-T29 HydrophobicContact CZ3-CG2 4.07Å; W7-R30 HydrophobicContact CH2-CB 4.13Å; W7-R30 HydrophobicContact CH2-CG 4.44Å; W7-R30 HydrophobicContact CZ2-CB 4.42Å; W7-R30 HydrophobicContact CZ2-CG 4.25Å; W7-L33 HydrophobicContact CH2-CD1 3.55Å; W7-L33 HydrophobicContact CH2-CG 4.44Å; W7-L33 HydrophobicContact CZ2-CD1 4.12Å; W7-L33 HydrophobicContact CZ3-CD1 3.91Å
8D82.3Confident77.3Confident89 Ų8956.7 Ų56.748%0.47631%0.311SS..Hα-helixtrans-62.2-41.9176.8-67-22.4000111.1A4 S5 L11 K12A4-D8 PolarHBondContact O-N 3.04Å; S5-D8 PolarHBondContact O-N 3.43Å; D8-L11 PolarHBondContact O-N 3.32Å; D8-K12 VanDerWaalsContact O-CG 3.3Å; D8-K12 WeakPolarHBondContact O-CG 3.5Å; D8-K12 PolarHBondContact O-N 3.1Å
9L80.4Confident76.4Confident33 Ų3360.2 Ų60.217%0.17334%0.339CS..Hα-helixtrans-61.1-49.7174-177.3153.2000111.2S5 I6 W7 L11 K12 V13 V126 A129 I130S5-L9 PolarHBondContact O-N 3.01Å; I6-L9 PolarHBondContact O-N 3.37Å; W7-L9 VanDerWaalsContact C-N 3.32Å; W7-L9 PolarHBondContact O-N 2.98Å; L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.92Å; L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.24Å; L9-V13 HydrophobicContact CD2-CG1 4.43Å; L9-V13 HydrophobicContact CD2-CG2 4.2Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.46Å; L9-V126 HydrophobicContact CD1-CG1 4.16Å; L9-A129 HydrophobicContact CD1-CB 3.63Å; L9-I130 HydrophobicContact CB-CD1 4.4Å; L9-I130 HydrophobicContact CB-CG1 4.05Å; L9-I130 HydrophobicContact CD1-CG1 4.1Å
10L80.5Confident75.7Confident25 Ų2564.5 Ų64.513%0.13136%0.356CS..Hα-helixtrans-63.5-31-178-69.2172.3000113I6 W7 V15 I16 T29 L33I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 HydrophobicContact CG2-CG 4.43Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.24Å; I6-L10 PolarHBondContact O-N 3.13Å; W7-L10 HydrophobicContact CE3-CD1 3.94Å; W7-L10 HydrophobicContact CZ3-CD1 3.9Å; W7-L10 PolarHBondContact O-N 3.01Å; L10-V15 HydrophobicContact CD2-CB 4.13Å; L10-V15 HydrophobicContact CD2-CG1 3.92Å; L10-V15 PolarHBondContact O-N 3.23Å; L10-I16 HydrophobicContact CB-CD1 4.02Å; L10-I16 HydrophobicContact CB-CG1 3.98Å; L10-I16 PolarHBondContact O-N 2.99Å; L10-T29 HydrophobicContact CD1-CG2 4.31Å; L10-L33 HydrophobicContact CD1-CD1 3.76Å
11L79.4Confident75.4Confident75 Ų7564.8 Ų64.839%0.39335%0.352SS..Hα-helixtrans-68.3-44.7170.4-76.1165000111.4W7 D8 L9 V13 D14 I16W7-L11 WeakPolarHBondContact O-CG 3.33Å; W7-L11 PolarHBondContact O-N 2.92Å; D8-L11 PolarHBondContact O-N 3.32Å; L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.92Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.04Å; L11-D14 PolarHBondContact O-N 3.09Å; L11-I16 HydrophobicContact CD2-CD1 3.87Å; L11-I16 HydrophobicContact CD2-CG1 3.83Å; L11-I16 HydrophobicContact CG-CD1 3.73Å; L11-I16 HydrophobicContact CG-CG1 3.97Å
12K76Confident75.5Confident103 Ų10367.7 Ų67.745%0.44837%0.367SS..Hα-helixtrans-63.6-36.5-179.3-76.2175.9173.4-167.60112.8D8 L9 D14 T133D8-K12 VanDerWaalsContact O-CG 3.3Å; D8-K12 WeakPolarHBondContact O-CG 3.5Å; D8-K12 PolarHBondContact O-N 3.1Å; L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.24Å; K12-D14 VanDerWaalsContact C-N 3.26Å; K12-D14 PolarHBondContact O-N 3.42Å; K12-T133 WeakPolarHBondContact CD-OG1 3.26Å; K12-T133 PolarHBondContact NZ-OG1 3.05Å
13V73.8Confident75.1Confident73 Ų7362.7 Ų62.744%0.44235%0.349SS..THydrogen-bonded Turntrans-87.313.3178.7-59.30000113.8L9 L11 V15L9-V13 HydrophobicContact CD2-CG1 4.43Å; L9-V13 HydrophobicContact CD2-CG2 4.2Å; L9-V13 WeakPolarHBondContact O-CG2 3.29Å; L9-V13 PolarHBondContact O-N 3.46Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.04Å; V13-V15 HydrophobicContact CB-CG2 4.35Å; V13-V15 HydrophobicContact CG2-CB 3.97Å; V13-V15 HydrophobicContact CG2-CG2 3.46Å; V13-V15 VanDerWaalsContact CG2-CG2 3.46Å; V13-V15 PolarHBondContact O-N 3.44Å; V13-V15 VanDerWaalsContact O-N 3.09Å
14D70.9Confident74.3Confident137 Ų13769 Ų6973%0.73338%0.384SS*.THydrogen-bonded Turntrans55.327.4178.8-154.229000114.2L11 K12L11-D14 PolarHBondContact O-N 3.09Å; K12-D14 VanDerWaalsContact C-N 3.26Å; K12-D14 PolarHBondContact O-N 3.42Å
15V70.6Confident73.8Confident43 Ų4374 Ų7426%0.26140%0.397SS..  trans-83.4-16.5178.2171.50000111.2L10 V13 N23 F26L10-V15 HydrophobicContact CD2-CB 4.13Å; L10-V15 HydrophobicContact CD2-CG1 3.92Å; L10-V15 PolarHBondContact O-N 3.23Å; V13-V15 HydrophobicContact CB-CG2 4.35Å; V13-V15 HydrophobicContact CG2-CB 3.97Å; V13-V15 HydrophobicContact CG2-CG2 3.46Å; V13-V15 VanDerWaalsContact CG2-CG2 3.46Å; V13-V15 PolarHBondContact O-N 3.44Å; V13-V15 VanDerWaalsContact O-N 3.09Å; V15-N23 VanDerWaalsContact O-CB 3.24Å; V15-N23 WeakPolarHBondContact O-CB 3.47Å; V15-N23 VanDerWaalsContact O-CG 3.26Å; V15-N23 PolarHBondContact O-ND2 2.79Å; V15-F26 HydrophobicContact CG1-CD2 4.38Å; V15-F26 HydrophobicContact CG1-CE2 4.31Å
16I71.9Confident73.3Confident5 Ų578.2 Ų78.23%0.02641%0.412CS..SBendtrans-133.7136.8175.349.4169.2000111.6W7 L10 L11 G18 R21 T29W7-I16 HydrophobicContact CE3-CD1 3.91Å; W7-I16 HydrophobicContact CZ3-CD1 4.43Å; L10-I16 HydrophobicContact CB-CD1 4.02Å; L10-I16 HydrophobicContact CB-CG1 3.98Å; L10-I16 PolarHBondContact O-N 2.99Å; L11-I16 HydrophobicContact CD2-CD1 3.87Å; L11-I16 HydrophobicContact CD2-CG1 3.83Å; L11-I16 HydrophobicContact CG-CD1 3.73Å; L11-I16 HydrophobicContact CG-CG1 3.97Å; I16-G18 PolarHBondContact O-N 3.02Å; I16-R21 HydrophobicContact CD1-CG 4.41Å; I16-T29 HydrophobicContact CG2-CG2 3.73Å; I16-T29 VanDerWaalsContact CG2-OG1 3.26Å; I16-T29 WeakPolarHBondContact CG2-OG1 3.1Å
17D64.3Low73.3Confident122 Ų12278.6 Ų78.665%0.65242%0.423SS*.BIsolated β-bridgetrans-86.2102.9179.6-161.3-2.1000109.6I22D17-I22 PolarHBondContact N-O 3.04Å
18G63.5Low73.4Confident36 Ų3681.5 Ų81.537%0.37144%0.439SS..G310 helixtrans60.7-154.1173.300000116.2I16 Q20I16-G18 PolarHBondContact O-N 3.02Å; G18-Q20 PolarHBondContact O-N 3.3Å
19S60.2Low73.6Confident122 Ų12277.4 Ų77.485%0.85342%0.417SS*.G310 helixtrans-73.6-7.6-172630000115
20Q62Low73.9Confident146 Ų14681.7 Ų81.768%0.68243%0.431SS*.G310 helixtrans-84.3-9.9-175.6-61-157.610.500113.4G18 I22G18-Q20 PolarHBondContact O-N 3.3Å; Q20-I22 HydrophobicContact CB-CD1 4.02Å; Q20-I22 HydrophobicContact CB-CG1 4.23Å; Q20-I22 WeakPolarHBondContact O-CG1 3.35Å; Q20-I22 PolarHBondContact O-N 3.29Å
21R69.9Low74.3Confident72 Ų7283.7 Ų83.727%0.27244%0.442SS..THydrogen-bonded Turntrans52.537.7-176.9-54.7178-179.7-176.9-0.2111.7E3 W7 I16 T29E3-R21 IonicContact OE1-CZ 3.88Å; E3-R21 IonicContact OE1-NH1 2.97Å; E3-R21 PolarHBondContact OE1-NH1 2.97Å; E3-R21 IonicContact OE1-NH2 3.96Å; W7-R21 VanDerWaalsContact CD1-CZ 3.46Å; W7-R21 HydrophobicContact CD2-CG 4.45Å; W7-R21 HydrophobicContact CE3-CG 4.01Å; W7-R21 HydrophobicContact CZ3-CB 4.14Å; W7-R21 HydrophobicContact CZ3-CG 4.08Å; I16-R21 HydrophobicContact CD1-CG 4.41Å; R21-T29 VanDerWaalsContact O-CB 3.31Å; R21-T29 WeakPolarHBondContact O-CB 3.41Å; R21-T29 PolarHBondContact O-N 2.98Å; R21-T29 PolarHBondContact O-OG1 3.45Å
22I71.9Confident74.8Confident68 Ų6882 Ų8235%0.34943%0.433SS..EExtended strand (participates in β ladder)trans-112.8138.9177-65.9168.9000107.5D17 Q20 G27D17-I22 PolarHBondContact N-O 3.04Å; Q20-I22 HydrophobicContact CB-CD1 4.02Å; Q20-I22 HydrophobicContact CB-CG1 4.23Å; Q20-I22 WeakPolarHBondContact O-CG1 3.35Å; Q20-I22 PolarHBondContact O-N 3.29Å; I22-G27 CarbonylContact C-O 3.56Å; I22-G27 VanDerWaalsContact CA-O 3.29Å; I22-G27 WeakPolarHBondContact CA-O 3.33Å
23N75.8Confident75.4Confident21 Ų2178 Ų7811%0.11242%0.416CS..EExtended strand (participates in β ladder)trans-123.7142.2172.4177.5-80.8000109.3V15 Q25 F26 G27V15-N23 VanDerWaalsContact O-CB 3.24Å; V15-N23 WeakPolarHBondContact O-CB 3.47Å; V15-N23 VanDerWaalsContact O-CG 3.26Å; V15-N23 PolarHBondContact O-ND2 2.79Å; N23-Q25 PolarHBondContact O-N 3.48Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.3Å; N23-Q25 VanDerWaalsContact OD1-CB 3.29Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; N23-Q25 PolarHBondContact OD1-N 3Å; N23-F26 HydrophobicContact CB-CB 4.12Å; N23-F26 HydrophobicContact CB-CD2 4Å; N23-F26 VanDerWaalsContact CG-CD2 3.47Å; N23-F26 PolarHBondContact O-N 3.48Å; N23-F26 VanDerWaalsContact OD1-CD2 3.24Å; N23-F26 WeakPolarHBondContact OD1-CD2 3.19Å; N23-F26 PolarHBondContact OD1-N 3.4Å; N23-G27 PolarHBondContact N-O 3.4Å; N23-G27 VanDerWaalsContact O-CA 3.26Å; N23-G27 WeakPolarHBondContact O-CA 3.42Å; N23-G27 PolarHBondContact O-N 2.97Å
24N71.5Confident76.3Confident157 Ų15775.8 Ų75.884%0.8440%0.403SS*.THydrogen-bonded Turntrans-65.7-24-177.4-72.4-24.1000114
25Q73.9Confident77.3Confident167 Ų16772.4 Ų72.478%0.7838%0.384SS*.THydrogen-bonded Turntrans-95.1-41.3177.6-59.2170.826.900111.7N23N23-Q25 PolarHBondContact O-N 3.48Å; N23-Q25 WeakPolarHBondContact OD1-CA 3.3Å; N23-Q25 VanDerWaalsContact OD1-CB 3.29Å; N23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; N23-Q25 PolarHBondContact OD1-N 3Å
26F72.6Confident78.4Confident113 Ų11373.6 Ų73.650%0.49639%0.389SS..THydrogen-bonded Turntrans-95.3-7.1-175.2-54.2-65.4000114.7V15 N23 N28 L32V15-F26 HydrophobicContact CG1-CD2 4.38Å; V15-F26 HydrophobicContact CG1-CE2 4.31Å; N23-F26 HydrophobicContact CB-CB 4.12Å; N23-F26 HydrophobicContact CB-CD2 4Å; N23-F26 VanDerWaalsContact CG-CD2 3.47Å; N23-F26 PolarHBondContact O-N 3.48Å; N23-F26 VanDerWaalsContact OD1-CD2 3.24Å; N23-F26 WeakPolarHBondContact OD1-CD2 3.19Å; N23-F26 PolarHBondContact OD1-N 3.4Å; F26-N28 PolarHBondContact O-N 3.05Å; F26-L32 HydrophobicContact CB-CD2 4.09Å; F26-L32 HydrophobicContact CD1-CD2 4.41Å; F26-L32 HydrophobicContact CG-CD2 4.41Å
27G83.8Confident79.4Confident34 Ų3476.6 Ų76.635%0.35140%0.402SS..EExtended strand (participates in β ladder)trans68.2-126.5-176.300000111.7I22 N23 T29I22-G27 CarbonylContact C-O 3.56Å; I22-G27 VanDerWaalsContact CA-O 3.29Å; I22-G27 WeakPolarHBondContact CA-O 3.33Å; N23-G27 PolarHBondContact N-O 3.4Å; N23-G27 VanDerWaalsContact O-CA 3.26Å; N23-G27 WeakPolarHBondContact O-CA 3.42Å; N23-G27 PolarHBondContact O-N 2.97Å; G27-T29 PolarHBondContact O-N 3.06Å
28N86.4Confident80.8Confident70 Ų7073 Ų7337%0.37438%0.384SS..EExtended strand (participates in β ladder)trans-82.997.4-180-174.1-39.2000110.5F26 R30 N31 L32F26-N28 PolarHBondContact O-N 3.05Å; N28-R30 PolarHBondContact O-N 2.92Å; N28-R30 WeakPolarHBondContact OD1-CA 3.38Å; N28-R30 WeakPolarHBondContact OD1-CB 3.27Å; N28-R30 PolarHBondContact OD1-N 2.85Å; N28-R30 VanDerWaalsContact OD1-N 3.1Å; N28-N31 HydrophobicContact CB-CB 4.24Å; N28-N31 PolarHBondContact O-N 3.39Å; N28-N31 VanDerWaalsContact O-N 3.13Å; N28-N31 PolarHBondContact OD1-N 3.17Å; N28-L32 PolarHBondContact O-N 3.03Å
29T85.9Confident82.2Confident4 Ų478.2 Ų78.23%0.02540%0.399CS..Hα-helixtrans-62-29.3-177.4-47.90000112.5W7 L10 I16 R21 G27 L32 L33W7-T29 HydrophobicContact CZ3-CG2 4.07Å; L10-T29 HydrophobicContact CD1-CG2 4.31Å; I16-T29 HydrophobicContact CG2-CG2 3.73Å; I16-T29 VanDerWaalsContact CG2-OG1 3.26Å; I16-T29 WeakPolarHBondContact CG2-OG1 3.1Å; R21-T29 VanDerWaalsContact O-CB 3.31Å; R21-T29 WeakPolarHBondContact O-CB 3.41Å; R21-T29 PolarHBondContact O-N 2.98Å; R21-T29 PolarHBondContact O-OG1 3.45Å; G27-T29 PolarHBondContact O-N 3.06Å; T29-L32 PolarHBondContact O-N 3.32Å; T29-L33 WeakPolarHBondContact O-CG 3.4Å; T29-L33 PolarHBondContact O-N 3.21Å
30R87Confident83.8Confident123 Ų12377 Ų7746%0.46438%0.381SS..Hα-helixtrans-62.9-50.3173.6-169.6179.6-174-130.40.9111.6W7 N28 L32 L33 T34W7-R30 HydrophobicContact CH2-CB 4.13Å; W7-R30 HydrophobicContact CH2-CG 4.44Å; W7-R30 HydrophobicContact CZ2-CB 4.42Å; W7-R30 HydrophobicContact CZ2-CG 4.25Å; N28-R30 PolarHBondContact O-N 2.92Å; N28-R30 WeakPolarHBondContact OD1-CA 3.38Å; N28-R30 WeakPolarHBondContact OD1-CB 3.27Å; N28-R30 PolarHBondContact OD1-N 2.85Å; N28-R30 VanDerWaalsContact OD1-N 3.1Å; R30-L32 VanDerWaalsContact C-N 3.3Å; R30-L32 PolarHBondContact O-N 3.43Å; R30-L33 PolarHBondContact O-N 3.12Å; R30-T34 HydrophobicContact CG-CG2 4.5Å; R30-T34 PolarHBondContact O-N 3.13Å; R30-T34 PolarHBondContact O-OG1 3.4Å
31N89.5Confident85.2Confident67 Ų6778 Ų7836%0.35838%0.379SS..Hα-helixtrans-63-39.7177.4-72.1-1.4000111.4N28 L33 I35 D36N28-N31 HydrophobicContact CB-CB 4.24Å; N28-N31 PolarHBondContact O-N 3.39Å; N28-N31 VanDerWaalsContact O-N 3.13Å; N28-N31 PolarHBondContact OD1-N 3.17Å; N31-L33 PolarHBondContact O-N 2.81Å; N31-I35 HydrophobicContact CB-CD1 4.01Å; N31-I35 WeakPolarHBondContact O-CA 3.34Å; N31-I35 WeakPolarHBondContact O-CB 3.31Å; N31-I35 PolarHBondContact O-N 3.01Å; N31-D36 PolarHBondContact O-N 2.82Å
32L89.8Confident86.2Confident38 Ų3876.6 Ų76.620%0.19937%0.374CS..Iπ-helixtrans-56.1-49.3176.4-178.166.8000111.6F26 N28 T29 R30 D36 F37F26-L32 HydrophobicContact CB-CD2 4.09Å; F26-L32 HydrophobicContact CD1-CD2 4.41Å; F26-L32 HydrophobicContact CG-CD2 4.41Å; N28-L32 PolarHBondContact O-N 3.03Å; T29-L32 PolarHBondContact O-N 3.32Å; R30-L32 VanDerWaalsContact C-N 3.3Å; R30-L32 PolarHBondContact O-N 3.43Å; L32-D36 HydrophobicContact CD1-CB 4.17Å; L32-D36 PolarHBondContact O-N 3.29Å; L32-F37 HydrophobicContact CD1-CE1 4.26Å; L32-F37 HydrophobicContact CD1-CE2 4.35Å; L32-F37 HydrophobicContact CD1-CZ 4.08Å; L32-F37 HydrophobicContact CD2-CE2 4.21Å; L32-F37 HydrophobicContact CD2-CZ 4.31Å; L32-F37 HydrophobicContact CG-CD2 4.32Å; L32-F37 HydrophobicContact CG-CE2 3.9Å; L32-F37 HydrophobicContact CG-CZ 4.1Å; L32-F37 PolarHBondContact O-N 3.15Å
33L89.1Confident87.1Confident19 Ų1974.8 Ų74.810%0.09937%0.365CS..Iπ-helixtrans-73.6-45.2-178.4-64.6-178.6000113.4I6 W7 L10 T29 R30 N31 F37 L43 F58I6-L33 HydrophobicContact CG2-CD1 4.2Å; W7-L33 HydrophobicContact CH2-CD1 3.55Å; W7-L33 HydrophobicContact CH2-CG 4.44Å; W7-L33 HydrophobicContact CZ2-CD1 4.12Å; W7-L33 HydrophobicContact CZ3-CD1 3.91Å; L10-L33 HydrophobicContact CD1-CD1 3.76Å; T29-L33 WeakPolarHBondContact O-CG 3.4Å; T29-L33 PolarHBondContact O-N 3.21Å; R30-L33 PolarHBondContact O-N 3.12Å; N31-L33 PolarHBondContact O-N 2.81Å; L33-F37 HydrophobicContact CD2-CD2 3.8Å; L33-F37 HydrophobicContact CD2-CE2 4Å; L33-L43 HydrophobicContact CD2-CD1 4.08Å; L33-F58 HydrophobicContact CB-CE1 4.01Å; L33-F58 HydrophobicContact CB-CZ 3.89Å; L33-F58 HydrophobicContact CD1-CZ 4.34Å
34T91.1Very high87.8Confident28 Ų2877.3 Ų77.317%0.17238%0.376CS..Iπ-helixtrans-92.8-16.2-170.564.80000114.2R30 V38 Y45 F58R30-T34 HydrophobicContact CG-CG2 4.5Å; R30-T34 PolarHBondContact O-N 3.13Å; R30-T34 PolarHBondContact O-OG1 3.4Å; T34-V38 WeakPolarHBondContact O-CG2 3.4Å; T34-Y45 HydrophobicContact CG2-CD2 4.19Å; T34-Y45 HydrophobicContact CG2-CE1 4.41Å; T34-Y45 HydrophobicContact CG2-CE2 4.01Å; T34-Y45 HydrophobicContact CG2-CG 4.41Å; T34-F58 HydrophobicContact CG2-CE1 3.98Å; T34-F58 HydrophobicContact CG2-CZ 3.77Å
35I92.1Very high88.7Confident65 Ų6572.4 Ų72.433%0.33335%0.346SS..Iπ-helixtrans-116.3-62.1-178.2-53178.2000109.4N31 V38 H39N31-I35 HydrophobicContact CB-CD1 4.01Å; N31-I35 WeakPolarHBondContact O-CA 3.34Å; N31-I35 WeakPolarHBondContact O-CB 3.31Å; N31-I35 PolarHBondContact O-N 3.01Å; I35-V38 PolarHBondContact O-N 3.31Å; I35-H39 VanDerWaalsContact CG2-CE1 3.47Å; I35-H39 WeakPolarHBondContact CG2-CE1 3.4Å; I35-H39 VanDerWaalsContact O-CB 3.3Å; I35-H39 WeakPolarHBondContact O-CB 3.5Å; I35-H39 PolarHBondContact O-N 3.25Å; I35-H39 PolarHBondContact O-ND1 2.73Å
36D94Very high89.3Confident69 Ų6970.6 Ų70.637%0.36933%0.332SS..Iπ-helixtrans-70.4-51.1-168.6-60.6-29.2000111.6N31 L32 V38 H39 M40N31-D36 PolarHBondContact O-N 2.82Å; L32-D36 HydrophobicContact CD1-CB 4.17Å; L32-D36 PolarHBondContact O-N 3.29Å; D36-V38 VanDerWaalsContact C-N 3.29Å; D36-V38 PolarHBondContact O-N 2.97Å; D36-H39 PolarHBondContact O-N 3.34Å; D36-M40 WeakPolarHBondContact O-CB 3.32Å; D36-M40 VanDerWaalsContact O-CG 3.28Å; D36-M40 WeakPolarHBondContact O-CG 3.43Å; D36-M40 PolarHBondContact O-N 3.5Å
37F93.3Very high90.1Very high68 Ų6867 Ų6730%0.29832%0.321SS..Hα-helixtrans-68.4-27.1177.1-71.4-28.9000113.7L32 L33 R41 F42 L43L32-F37 HydrophobicContact CD1-CE1 4.26Å; L32-F37 HydrophobicContact CD1-CE2 4.35Å; L32-F37 HydrophobicContact CD1-CZ 4.08Å; L32-F37 HydrophobicContact CD2-CE2 4.21Å; L32-F37 HydrophobicContact CD2-CZ 4.31Å; L32-F37 HydrophobicContact CG-CD2 4.32Å; L32-F37 HydrophobicContact CG-CE2 3.9Å; L32-F37 HydrophobicContact CG-CZ 4.1Å; L32-F37 PolarHBondContact O-N 3.15Å; L33-F37 HydrophobicContact CD2-CD2 3.8Å; L33-F37 HydrophobicContact CD2-CE2 4Å; F37-R41 PolarHBondContact O-N 2.88Å; F37-R41 VanDerWaalsContact O-N 3.16Å; F37-F42 HydrophobicContact CB-CB 4.27Å; F37-F42 PolarHBondContact O-N 2.68Å; F37-L43 HydrophobicContact CB-CB 4.25Å; F37-L43 HydrophobicContact CB-CD1 3.89Å; F37-L43 HydrophobicContact CB-CG 4.03Å; F37-L43 HydrophobicContact CD2-CD1 3.99Å; F37-L43 HydrophobicContact CG-CD1 4.41Å; F37-L43 PolarHBondContact O-N 2.83Å; F37-L43 VanDerWaalsContact O-N 3.14Å
38V92.8Very high90.2Very high45 Ų4566.9 Ų66.927%0.27331%0.313SS..Hα-helixtrans-70.4-46.5172.1176.50000110.6T34 I35 D36 M40 R41 L43T34-V38 WeakPolarHBondContact O-CG2 3.4Å; I35-V38 PolarHBondContact O-N 3.31Å; D36-V38 VanDerWaalsContact C-N 3.29Å; D36-V38 PolarHBondContact O-N 2.97Å; V38-M40 VanDerWaalsContact C-N 3.29Å; V38-M40 PolarHBondContact O-N 3.33Å; V38-R41 WeakPolarHBondContact O-CA 3.21Å; V38-R41 PolarHBondContact O-N 3.38Å; V38-L43 WeakPolarHBondContact CA-O 3.49Å; V38-L43 HydrophobicContact CG2-CB 4.39Å
39H94.1Very high90.2Very high147 Ų14773.2 Ų73.268%0.68133%0.333SS*.Hα-helixtrans-61.6-37.5175.1-74.5158.9000112.5I35 D36 R41I35-H39 VanDerWaalsContact CG2-CE1 3.47Å; I35-H39 WeakPolarHBondContact CG2-CE1 3.4Å; I35-H39 VanDerWaalsContact O-CB 3.3Å; I35-H39 WeakPolarHBondContact O-CB 3.5Å; I35-H39 PolarHBondContact O-N 3.25Å; I35-H39 PolarHBondContact O-ND1 2.73Å; D36-H39 PolarHBondContact O-N 3.34Å; H39-R41 PolarHBondContact O-N 3.39Å
40M94.3Very high90.1Very high95 Ų9577.3 Ų77.347%0.46838%0.376SS..THydrogen-bonded Turntrans-76.2-2.5174.7-65.9-175.4-164.700113.5D36 V38 F42 R63D36-M40 WeakPolarHBondContact O-CB 3.32Å; D36-M40 VanDerWaalsContact O-CG 3.28Å; D36-M40 WeakPolarHBondContact O-CG 3.43Å; D36-M40 PolarHBondContact O-N 3.5Å; V38-M40 VanDerWaalsContact C-N 3.29Å; V38-M40 PolarHBondContact O-N 3.33Å; M40-F42 HydrophobicContact CB-CD2 3.68Å; M40-F42 HydrophobicContact CB-CE2 4.19Å; M40-F42 PolarHBondContact O-N 3.45Å; M40-R63 WeakPolarHBondContact O-CD 3.48Å
41R91.4Very high90Very high169 Ų16973 Ų7364%0.63836%0.363SS*.THydrogen-bonded Turntrans60.824.2-177.9-53.5-179.3177.8-179.9-2.9114.5F37 V38 H39 G61 S62 R63F37-R41 PolarHBondContact O-N 2.88Å; F37-R41 VanDerWaalsContact O-N 3.16Å; V38-R41 WeakPolarHBondContact O-CA 3.21Å; V38-R41 PolarHBondContact O-N 3.38Å; H39-R41 PolarHBondContact O-N 3.39Å; R41-G61 CarbonylContact O-C 3.23Å; R41-G61 VanDerWaalsContact O-CA 3.24Å; R41-G61 WeakPolarHBondContact O-CA 3.28Å; R41-S62 PolarHBondContact O-N 3.28Å; R41-R63 HydrophobicContact CB-CB 3.99Å; R41-R63 WeakPolarHBondContact O-CB 3.14Å; R41-R63 PolarHBondContact O-N 3.34Å
42F89.1Confident89.8Confident41 Ų4177.4 Ų77.418%0.1839%0.387CS..SBendtrans-79.9-34.3169.9-81.2-73.5000111.7F37 M40 G61 R63 A64 E67 I68F37-F42 HydrophobicContact CB-CB 4.27Å; F37-F42 PolarHBondContact O-N 2.68Å; M40-F42 HydrophobicContact CB-CD2 3.68Å; M40-F42 HydrophobicContact CB-CE2 4.19Å; M40-F42 PolarHBondContact O-N 3.45Å; F42-G61 PolarHBondContact O-N 2.83Å; F42-R63 HydrophobicContact CE1-CG 4.16Å; F42-R63 HydrophobicContact CE2-CG 4.4Å; F42-R63 HydrophobicContact CZ-CG 4.07Å; F42-A64 HydrophobicContact CB-CB 4.47Å; F42-A64 HydrophobicContact CD1-CB 3.83Å; F42-A64 VanDerWaalsContact O-CB 3.22Å; F42-A64 WeakPolarHBondContact O-CB 3.23Å; F42-E67 VanDerWaalsContact CZ-OE2 3.3Å; F42-E67 WeakPolarHBondContact CZ-OE2 3.46Å; F42-I68 HydrophobicContact CD1-CD1 4.41Å; F42-I68 HydrophobicContact CE1-CD1 4.32Å
43L91.9Very high89.6Confident31 Ų3180.4 Ų80.416%0.16241%0.409CS..EExtended strand (participates in β ladder)trans-123153176.3-65.5176.3000110.7L33 F37 V38 F58 L59L33-L43 HydrophobicContact CD2-CD1 4.08Å; F37-L43 HydrophobicContact CB-CB 4.25Å; F37-L43 HydrophobicContact CB-CD1 3.89Å; F37-L43 HydrophobicContact CB-CG 4.03Å; F37-L43 HydrophobicContact CD2-CD1 3.99Å; F37-L43 HydrophobicContact CG-CD1 4.41Å; F37-L43 PolarHBondContact O-N 2.83Å; F37-L43 VanDerWaalsContact O-N 3.14Å; V38-L43 WeakPolarHBondContact CA-O 3.49Å; V38-L43 HydrophobicContact CG2-CB 4.39Å; L43-F58 HydrophobicContact CB-CD1 4.49Å; L43-F58 HydrophobicContact CD1-CD1 4.07Å; L43-F58 HydrophobicContact CD1-CE1 4.41Å; L43-L59 CarbonylContact C-O 3.5Å; L43-L59 VanDerWaalsContact CA-O 3.31Å; L43-L59 WeakPolarHBondContact CA-O 3.14Å
44E90.4Very high89.6Confident74 Ų7484.8 Ų84.835%0.34643%0.432SS..EExtended strand (participates in β ladder)trans-112.8148.3159.3-45.3-169.9171.300108.7W46 F58 L59E44-W46 PolarHBondContact OE2-NE1 2.87Å; E44-F58 WeakPolarHBondContact O-CA 3.44Å; E44-L59 HydrophobicContact CB-CB 4.22Å; E44-L59 PolarHBondContact N-O 3.43Å; E44-L59 PolarHBondContact O-N 3.44Å
45Y89.7Confident89.5Confident53 Ų5386.4 Ų86.421%0.20844%0.437CS..EExtended strand (participates in β ladder)trans-132.1108.5-176.2-178.8-107.6000109.1E3 T34 F56 E57 F58E3-Y45 PolarHBondContact OE2-OH 3.14Å; T34-Y45 HydrophobicContact CG2-CD2 4.19Å; T34-Y45 HydrophobicContact CG2-CE1 4.41Å; T34-Y45 HydrophobicContact CG2-CE2 4.01Å; T34-Y45 HydrophobicContact CG2-CG 4.41Å; Y45-F56 HydrophobicContact CD1-CD1 4.12Å; Y45-F56 HydrophobicContact CD2-CB 4.36Å; Y45-F56 HydrophobicContact CE1-CB 4.3Å; Y45-F56 AromaticContact CE1-CD1 3.38Å; Y45-F56 HydrophobicContact CE1-CD1 3.38Å; Y45-F56 AromaticContact CE1-CE1 3.81Å; Y45-F56 HydrophobicContact CE1-CE1 3.81Å; Y45-F56 AromaticContact CE1-CG 3.91Å; Y45-F56 HydrophobicContact CE1-CG 3.91Å; Y45-F56 HydrophobicContact CE2-CB 3.51Å; Y45-F56 HydrophobicContact CE2-CD1 4.17Å; Y45-F56 HydrophobicContact CE2-CG 4.02Å; Y45-F56 VanDerWaalsContact CZ-CB 3.48Å; Y45-F56 AromaticContact CZ-CD1 3.43Å; Y45-F56 VanDerWaalsContact CZ-CD1 3.43Å; Y45-F56 AromaticContact CZ-CG 3.43Å; Y45-F56 VanDerWaalsContact CZ-CG 3.43Å; Y45-F56 WeakPolarHBondContact OH-CB 3.44Å; Y45-F56 WeakPolarHBondContact OH-CD1 3.48Å; Y45-F56 WeakPolarHBondContact OH-CD2 3.39Å; Y45-F56 WeakPolarHBondContact OH-CG 3.46Å; Y45-E57 WeakPolarHBondContact CA-O 3.3Å; Y45-F58 AromaticContact CD2-CD1 3.74Å; Y45-F58 HydrophobicContact CD2-CD1 3.74Å; Y45-F58 AromaticContact CD2-CE1 3.4Å; Y45-F58 HydrophobicContact CD2-CE1 3.4Å; Y45-F58 VanDerWaalsContact CD2-CE1 3.4Å; Y45-F58 HydrophobicContact CD2-CE2 4.31Å; Y45-F58 HydrophobicContact CD2-CG 4.33Å; Y45-F58 AromaticContact CD2-CZ 3.73Å; Y45-F58 HydrophobicContact CD2-CZ 3.73Å; Y45-F58 HydrophobicContact CE2-CE1 4.03Å; Y45-F58 HydrophobicContact CE2-CE2 4.27Å; Y45-F58 AromaticContact CE2-CZ 3.85Å; Y45-F58 HydrophobicContact CE2-CZ 3.85Å; Y45-F58 HydrophobicContact CG-CE1 4.2Å
46W87.8Confident89.4Confident129 Ų12986 Ų8649%0.48943%0.433SS..EExtended strand (participates in β ladder)trans-124.9143.6-170.7-69.8103.5000112.1E44 F56 E57E44-W46 PolarHBondContact OE2-NE1 2.87Å; W46-F56 CarbonylContact O-C 3.53Å; W46-F56 VanDerWaalsContact O-CA 3.31Å; W46-F56 WeakPolarHBondContact O-CA 3.47Å; W46-E57 PolarHBondContact N-O 3.14Å; W46-E57 PolarHBondContact O-N 3.36Å
47P88.7Confident89.2Confident38 Ų3885.5 Ų85.525%0.24743%0.428CS..EExtended strand (participates in β ladder)trans-70.6142.3169.429.8-32.8000110.8Y49 L54 E55 F56P47-Y49 PolarHBondContact O-N 2.91Å; P47-L54 HydrophobicContact CB-CD1 4.04Å; P47-E55 WeakPolarHBondContact CA-O 3.37Å; P47-F56 HydrophobicContact CB-CD1 4.15Å; P47-F56 HydrophobicContact CB-CE1 3.93Å
48V86.8Confident88.9Confident31 Ų3182.8 Ų82.819%0.18842%0.416CS..EExtended strand (participates in β ladder)trans-87.8107.3174.9-173.30000109.1T51 E55 E57V48-T51 HydrophobicContact CB-CG2 3.91Å; V48-T51 HydrophobicContact CG1-CG2 3.63Å; V48-T51 PolarHBondContact O-OG1 3.16Å; V48-E55 HydrophobicContact CB-CB 4.33Å; V48-E55 HydrophobicContact CG2-CB 4.36Å; V48-E55 PolarHBondContact N-O 3.24Å; V48-E57 HydrophobicContact CG2-CB 4.12Å; V48-E57 HydrophobicContact CG2-CG 4.04Å
49Y85Confident88.7Confident204 Ų20482.6 Ų82.680%0.841%0.414SS*.THydrogen-bonded Turntrans-62.2138179.2-66.2-74.4000112P47P47-Y49 PolarHBondContact O-N 2.91Å
50G83.8Confident88.3Confident89 Ų8979.3 Ų79.392%0.91840%0.395SS*.THydrogen-bonded Turntrans855.7176.900000115.2
51T85.8Confident88Confident32 Ų3274.8 Ų74.820%0.19637%0.373CS..  trans-88.1140.317257.10000111.4V48 P53 E55V48-T51 HydrophobicContact CB-CG2 3.91Å; V48-T51 HydrophobicContact CG1-CG2 3.63Å; V48-T51 PolarHBondContact O-OG1 3.16Å; T51-P53 CarbonylContact C-O 3.21Å; T51-P53 WeakPolarHBondContact CB-O 3.47Å; T51-P53 PolarHBondContact OG1-O 3.19Å; T51-E55 HydrophobicContact CG2-CB 4.13Å; T51-E55 HydrophobicContact CG2-CG 4.22Å; T51-E55 PolarHBondContact OG1-N 2.91Å
52N83.9Confident87.8Confident161 Ų16168.6 Ų68.686%0.86136%0.356SS*.SBendtrans-139.2108.3171.7-176.227.2000109.6
53P86.8Confident87.7Confident101 Ų10171.1 Ų71.166%0.65636%0.364SS*.SBendcis-67.41666.130.2-36.4000113.7T51 E55T51-P53 CarbonylContact C-O 3.21Å; T51-P53 WeakPolarHBondContact CB-O 3.47Å; T51-P53 PolarHBondContact OG1-O 3.19Å; P53-E55 PolarHBondContact O-N 3.12Å
54L87.9Confident87.6Confident111 Ų11169.8 Ų69.858%0.58136%0.358SS*.  trans-61.9120.8178.8-178.568.1000110.7P47 F56P47-L54 HydrophobicContact CB-CD1 4.04Å; L54-F56 HydrophobicContact CD2-CE2 3.97Å; L54-F56 HydrophobicContact CD2-CZ 3.81Å; L54-F56 HydrophobicContact CG-CE2 4.1Å; L54-F56 HydrophobicContact CG-CZ 4.3Å
55E89.9Confident87.2Confident62 Ų6269.1 Ų69.129%0.2935%0.354SS..EExtended strand (participates in β ladder)trans-104.4161.5174.8-64-179.4-156.200111.5R2 P47 V48 T51 P53R2-E55 WeakPolarHBondContact CD-OE2 3.33Å; R2-E55 IonicContact CZ-OE2 3.31Å; R2-E55 IonicContact NE-OE2 3.03Å; R2-E55 PolarHBondContact NE-OE2 2.99Å; R2-E55 IonicContact NH1-OE1 2.68Å; R2-E55 PolarHBondContact NH1-OE1 3.24Å; R2-E55 IonicContact NH1-OE2 3.6Å; R2-E55 PolarHBondContact NH1-OE2 3.29Å; P47-E55 WeakPolarHBondContact CA-O 3.37Å; V48-E55 HydrophobicContact CB-CB 4.33Å; V48-E55 HydrophobicContact CG2-CB 4.36Å; V48-E55 PolarHBondContact N-O 3.24Å; T51-E55 HydrophobicContact CG2-CB 4.13Å; T51-E55 HydrophobicContact CG2-CG 4.22Å; T51-E55 PolarHBondContact OG1-N 2.91Å; P53-E55 PolarHBondContact O-N 3.12Å
56F89.3Confident86.9Confident57 Ų5769.9 Ų69.925%0.2537%0.367CS..EExtended strand (participates in β ladder)trans-127.2158.5176.1-68.1-95.2000111.2E3 Y45 W46 P47 L54E3-F56 HydrophobicContact CB-CB 4.2Å; E3-F56 WeakPolarHBondContact CB-O 3.31Å; E3-F56 PolarHBondContact N-O 2.68Å; Y45-F56 HydrophobicContact CD1-CD1 4.12Å; Y45-F56 HydrophobicContact CD2-CB 4.36Å; Y45-F56 HydrophobicContact CE1-CB 4.3Å; Y45-F56 AromaticContact CE1-CD1 3.38Å; Y45-F56 HydrophobicContact CE1-CD1 3.38Å; Y45-F56 AromaticContact CE1-CE1 3.81Å; Y45-F56 HydrophobicContact CE1-CE1 3.81Å; Y45-F56 AromaticContact CE1-CG 3.91Å; Y45-F56 HydrophobicContact CE1-CG 3.91Å; Y45-F56 HydrophobicContact CE2-CB 3.51Å; Y45-F56 HydrophobicContact CE2-CD1 4.17Å; Y45-F56 HydrophobicContact CE2-CG 4.02Å; Y45-F56 VanDerWaalsContact CZ-CB 3.48Å; Y45-F56 AromaticContact CZ-CD1 3.43Å; Y45-F56 VanDerWaalsContact CZ-CD1 3.43Å; Y45-F56 AromaticContact CZ-CG 3.43Å; Y45-F56 VanDerWaalsContact CZ-CG 3.43Å; Y45-F56 WeakPolarHBondContact OH-CB 3.44Å; Y45-F56 WeakPolarHBondContact OH-CD1 3.48Å; Y45-F56 WeakPolarHBondContact OH-CD2 3.39Å; Y45-F56 WeakPolarHBondContact OH-CG 3.46Å; W46-F56 CarbonylContact O-C 3.53Å; W46-F56 VanDerWaalsContact O-CA 3.31Å; W46-F56 WeakPolarHBondContact O-CA 3.47Å; P47-F56 HydrophobicContact CB-CD1 4.15Å; P47-F56 HydrophobicContact CB-CE1 3.93Å; L54-F56 HydrophobicContact CD2-CE2 3.97Å; L54-F56 HydrophobicContact CD2-CZ 3.81Å; L54-F56 HydrophobicContact CG-CE2 4.1Å; L54-F56 HydrophobicContact CG-CZ 4.3Å
57E89.8Confident87Confident57 Ų5768.4 Ų68.427%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-134.8149.8172.765.3178.7176.600113S1 Y45 W46 V48S1-E57 CarbonylContact O-C 3.48Å; S1-E57 WeakPolarHBondContact O-CA 3.26Å; S1-E57 VanDerWaalsContact O-CB 3.24Å; S1-E57 WeakPolarHBondContact O-CB 3.24Å; Y45-E57 WeakPolarHBondContact CA-O 3.3Å; W46-E57 PolarHBondContact N-O 3.14Å; W46-E57 PolarHBondContact O-N 3.36Å; V48-E57 HydrophobicContact CG2-CB 4.12Å; V48-E57 HydrophobicContact CG2-CG 4.04Å
58F88.3Confident86.9Confident11 Ų1169.3 Ų69.35%0.04837%0.368CS..EExtended strand (participates in β ladder)trans-95.3135.5168.7-68.3-76.1000110.5S1 E3 I6 L33 T34 L43 E44 Y45S1-F58 PolarHBondContact N-O 3.22Å; S1-F58 PolarHBondContact O-N 3.41Å; E3-F58 HydrophobicContact CB-CE2 4.21Å; E3-F58 HydrophobicContact CG-CE2 3.98Å; I6-F58 HydrophobicContact CB-CD2 4.29Å; I6-F58 HydrophobicContact CG1-CD2 3.96Å; I6-F58 HydrophobicContact CG2-CD2 4.4Å; I6-F58 HydrophobicContact CG2-CE2 4.42Å; L33-F58 HydrophobicContact CB-CE1 4.01Å; L33-F58 HydrophobicContact CB-CZ 3.89Å; L33-F58 HydrophobicContact CD1-CZ 4.34Å; T34-F58 HydrophobicContact CG2-CE1 3.98Å; T34-F58 HydrophobicContact CG2-CZ 3.77Å; L43-F58 HydrophobicContact CB-CD1 4.49Å; L43-F58 HydrophobicContact CD1-CD1 4.07Å; L43-F58 HydrophobicContact CD1-CE1 4.41Å; E44-F58 WeakPolarHBondContact O-CA 3.44Å; Y45-F58 AromaticContact CD2-CD1 3.74Å; Y45-F58 HydrophobicContact CD2-CD1 3.74Å; Y45-F58 AromaticContact CD2-CE1 3.4Å; Y45-F58 HydrophobicContact CD2-CE1 3.4Å; Y45-F58 VanDerWaalsContact CD2-CE1 3.4Å; Y45-F58 HydrophobicContact CD2-CE2 4.31Å; Y45-F58 HydrophobicContact CD2-CG 4.33Å; Y45-F58 AromaticContact CD2-CZ 3.73Å; Y45-F58 HydrophobicContact CD2-CZ 3.73Å; Y45-F58 HydrophobicContact CE2-CE1 4.03Å; Y45-F58 HydrophobicContact CE2-CE2 4.27Å; Y45-F58 AromaticContact CE2-CZ 3.85Å; Y45-F58 HydrophobicContact CE2-CZ 3.85Å; Y45-F58 HydrophobicContact CG-CE1 4.2Å
59L87.4Confident87.1Confident41 Ų4169.5 Ų69.522%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-123162.7169.8-54.7173.1000109.2L43 E44L43-L59 CarbonylContact C-O 3.5Å; L43-L59 VanDerWaalsContact CA-O 3.31Å; L43-L59 WeakPolarHBondContact CA-O 3.14Å; E44-L59 HydrophobicContact CB-CB 4.22Å; E44-L59 PolarHBondContact N-O 3.43Å; E44-L59 PolarHBondContact O-N 3.44Å
60W87.1Confident87.1Confident78 Ų7862 Ų6230%0.29534%0.341SS..EExtended strand (participates in β ladder)trans-76.1129.7173.1-83.450.8000109.7A64 H65 I68 A73 A122W60-A64 HydrophobicContact CB-CB 4.42Å; W60-A64 HydrophobicContact CD2-CB 3.9Å; W60-A64 HydrophobicContact CE3-CB 3.19Å; W60-A64 HydrophobicContact CG-CB 4.46Å; W60-A64 HydrophobicContact CZ3-CB 3.61Å; W60-H65 WeakPolarHBondContact CB-CE1 3.24Å; W60-H65 PolarHBondContact O-CE1 2.93Å; W60-H65 PolarHBondContact O-ND1 3.28Å; W60-I68 HydrophobicContact CH2-CB 4.04Å; W60-I68 HydrophobicContact CH2-CD1 3.83Å; W60-I68 HydrophobicContact CH2-CG2 3.78Å; W60-I68 HydrophobicContact CZ3-CB 3.77Å; W60-I68 HydrophobicContact CZ3-CD1 3.9Å; W60-I68 HydrophobicContact CZ3-CG1 4.38Å; W60-I68 HydrophobicContact CZ3-CG2 3.99Å; W60-A73 HydrophobicContact CH2-CB 4.35Å; W60-A122 HydrophobicContact CD2-CB 4.5Å; W60-A122 HydrophobicContact CG-CB 3.92Å
61G87.6Confident87.5Confident1 Ų158.7 Ų58.71%0.0130%0.302CS..  trans-79.8166.5175.500000112.2R41 F42 R63 A64 H65R41-G61 CarbonylContact O-C 3.23Å; R41-G61 VanDerWaalsContact O-CA 3.24Å; R41-G61 WeakPolarHBondContact O-CA 3.28Å; F42-G61 PolarHBondContact O-N 2.83Å; G61-R63 PolarHBondContact O-N 2.85Å; G61-R63 VanDerWaalsContact O-N 3.14Å; G61-A64 PolarHBondContact O-N 2.86Å; G61-A64 VanDerWaalsContact O-N 3.08Å; G61-H65 PolarHBondContact O-N 2.72Å; G61-H65 VanDerWaalsContact O-N 3.15Å; G61-H65 PolarHBondContact O-ND1 2.96Å
62S87.1Confident87.8Confident38 Ų3861.9 Ų61.927%0.26631%0.314SS..Hα-helixtrans-48.4-39.5177.953.80000114.4R41 H65 S66R41-S62 PolarHBondContact O-N 3.28Å; S62-H65 PolarHBondContact O-N 2.94Å; S62-S66 PolarHBondContact O-N 3.39Å; S62-S66 VanDerWaalsContact O-N 3.12Å; S62-S66 PolarHBondContact O-OG 3.44Å
63R87.9Confident88Confident95 Ų9555 Ų5536%0.35828%0.28SS..Hα-helixtrans-70.9-39.8-178.3-169175.6-175-166.7-11.5111.8M40 R41 F42 G61 H65 S66 E67M40-R63 WeakPolarHBondContact O-CD 3.48Å; R41-R63 HydrophobicContact CB-CB 3.99Å; R41-R63 WeakPolarHBondContact O-CB 3.14Å; R41-R63 PolarHBondContact O-N 3.34Å; F42-R63 HydrophobicContact CE1-CG 4.16Å; F42-R63 HydrophobicContact CE2-CG 4.4Å; F42-R63 HydrophobicContact CZ-CG 4.07Å; G61-R63 PolarHBondContact O-N 2.85Å; G61-R63 VanDerWaalsContact O-N 3.14Å; R63-H65 VanDerWaalsContact C-N 3.32Å; R63-H65 PolarHBondContact O-N 3.17Å; R63-S66 WeakPolarHBondContact CA-OG 3.5Å; R63-S66 PolarHBondContact O-N 2.95Å; R63-S66 PolarHBondContact O-OG 2.86Å; R63-E67 HydrophobicContact CG-CG 4.08Å; R63-E67 WeakPolarHBondContact CG-OE1 2.93Å; R63-E67 IonicContact CZ-OE1 2.73Å; R63-E67 VanDerWaalsContact CZ-OE1 3.31Å; R63-E67 IonicContact CZ-OE2 2.9Å; R63-E67 IonicContact NE-OE1 3.5Å; R63-E67 PolarHBondContact NE-OE1 3.4Å; R63-E67 IonicContact NE-OE2 2.81Å; R63-E67 IonicContact NH2-OE1 3.33Å; R63-E67 PolarHBondContact NH2-OE1 3.01Å; R63-E67 IonicContact NH2-OE2 3.03Å; R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 WeakPolarHBondContact O-CG 3.02Å; R63-E67 PolarHBondContact O-N 3.38Å
64A87.9Confident88.1Confident3 Ų350.1 Ų50.13%0.02525%0.249CC..Hα-helixtrans-63.7-41.117700000111F42 W60 G61 S66 E67 I68F42-A64 HydrophobicContact CB-CB 4.47Å; F42-A64 HydrophobicContact CD1-CB 3.83Å; F42-A64 VanDerWaalsContact O-CB 3.22Å; F42-A64 WeakPolarHBondContact O-CB 3.23Å; W60-A64 HydrophobicContact CB-CB 4.42Å; W60-A64 HydrophobicContact CD2-CB 3.9Å; W60-A64 HydrophobicContact CE3-CB 3.19Å; W60-A64 HydrophobicContact CG-CB 4.46Å; W60-A64 HydrophobicContact CZ3-CB 3.61Å; G61-A64 PolarHBondContact O-N 2.86Å; G61-A64 VanDerWaalsContact O-N 3.08Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 3.4Å; A64-E67 PolarHBondContact O-N 2.85Å; A64-I68 PolarHBondContact O-N 3.45Å
65H83.1Confident88.1Confident59 Ų5950.2 Ų50.227%0.27324%0.244SC..Hα-helixtrans-60.8-37.5173.9-74.281000112.9W60 G61 S62 R63 K102 T117W60-H65 WeakPolarHBondContact CB-CE1 3.24Å; W60-H65 PolarHBondContact O-CE1 2.93Å; W60-H65 PolarHBondContact O-ND1 3.28Å; G61-H65 PolarHBondContact O-N 2.72Å; G61-H65 VanDerWaalsContact O-N 3.15Å; G61-H65 PolarHBondContact O-ND1 2.96Å; S62-H65 PolarHBondContact O-N 2.94Å; R63-H65 VanDerWaalsContact C-N 3.32Å; R63-H65 PolarHBondContact O-N 3.17Å; H65-K102 WeakPolarHBondContact O-CE 3.29Å; H65-K102 PolarHBondContact O-NZ 2.89Å; H65-T117 PolarHBondContact NE2-O 3.41Å
66S84.1Confident88Confident69 Ų6954.5 Ų54.548%0.48326%0.262SS..Hα-helixtrans-74.9-46.3177.759.20000112.6S62 R63 A64 K102S62-S66 PolarHBondContact O-N 3.39Å; S62-S66 VanDerWaalsContact O-N 3.12Å; S62-S66 PolarHBondContact O-OG 3.44Å; R63-S66 WeakPolarHBondContact CA-OG 3.5Å; R63-S66 PolarHBondContact O-N 2.95Å; R63-S66 PolarHBondContact O-OG 2.86Å; A64-S66 VanDerWaalsContact C-N 3.3Å; A64-S66 PolarHBondContact O-N 3.4Å; S66-K102 PolarHBondContact O-NZ 2.76Å
67E88.4Confident87.8Confident99 Ų9953.1 Ų53.146%0.46326%0.258SS..Hα-helixtrans-88.7-26.5-166.1-68.4-170.4-171.400113.9F42 R63 A64F42-E67 VanDerWaalsContact CZ-OE2 3.3Å; F42-E67 WeakPolarHBondContact CZ-OE2 3.46Å; R63-E67 HydrophobicContact CG-CG 4.08Å; R63-E67 WeakPolarHBondContact CG-OE1 2.93Å; R63-E67 IonicContact CZ-OE1 2.73Å; R63-E67 VanDerWaalsContact CZ-OE1 3.31Å; R63-E67 IonicContact CZ-OE2 2.9Å; R63-E67 IonicContact NE-OE1 3.5Å; R63-E67 PolarHBondContact NE-OE1 3.4Å; R63-E67 IonicContact NE-OE2 2.81Å; R63-E67 IonicContact NH2-OE1 3.33Å; R63-E67 PolarHBondContact NH2-OE1 3.01Å; R63-E67 IonicContact NH2-OE2 3.03Å; R63-E67 WeakPolarHBondContact O-CB 3.46Å; R63-E67 WeakPolarHBondContact O-CG 3.02Å; R63-E67 PolarHBondContact O-N 3.38Å; A64-E67 PolarHBondContact O-N 2.85Å
68I88.3Confident87.6Confident56 Ų5650.4 Ų50.429%0.28725%0.245SC..  trans-117.4137.8-174.7-52167.3000108.6F42 W60 A64 E72 A73 K102F42-I68 HydrophobicContact CD1-CD1 4.41Å; F42-I68 HydrophobicContact CE1-CD1 4.32Å; W60-I68 HydrophobicContact CH2-CB 4.04Å; W60-I68 HydrophobicContact CH2-CD1 3.83Å; W60-I68 HydrophobicContact CH2-CG2 3.78Å; W60-I68 HydrophobicContact CZ3-CB 3.77Å; W60-I68 HydrophobicContact CZ3-CD1 3.9Å; W60-I68 HydrophobicContact CZ3-CG1 4.38Å; W60-I68 HydrophobicContact CZ3-CG2 3.99Å; A64-I68 PolarHBondContact O-N 3.45Å; I68-E72 HydrophobicContact CG2-CB 4.28Å; I68-A73 HydrophobicContact CG2-CB 4.4Å; I68-K102 PolarHBondContact O-NZ 2.76Å
69T88.9Confident87.5Confident36 Ų3656.8 Ų56.822%0.22128%0.276CS..  trans-94.5158.5173.291.80000111.7M71 E72 A73 D99T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 PolarHBondContact OG1-N 3.34Å; T69-E72 HydrophobicContact CG2-CG 4.46Å; T69-E72 PolarHBondContact N-OE2 2.9Å; T69-E72 PolarHBondContact O-N 2.99Å; T69-E72 WeakPolarHBondContact OG1-CG 3.3Å; T69-E72 PolarHBondContact OG1-N 3.47Å; T69-A73 PolarHBondContact O-N 3.43Å; T69-D99 VanDerWaalsContact CB-CG 3.46Å; T69-D99 VanDerWaalsContact CB-OD1 3.29Å; T69-D99 WeakPolarHBondContact CB-OD1 3.43Å; T69-D99 WeakPolarHBondContact CB-OD2 3.22Å; T69-D99 PolarHBondContact OG1-OD2 2.81Å
70K86.6Confident87.1Confident47 Ų4758.2 Ų58.220%0.20429%0.293CS..Hα-helixtrans-66.7-31.9-178.9-159.4165.2-165.7157.30110.4L74 A95 A98 D99 D120K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.04Å; K70-A95 HydrophobicContact CB-CB 4.09Å; K70-A95 HydrophobicContact CG-CB 4.02Å; K70-A98 HydrophobicContact CB-CB 4.05Å; K70-A98 HydrophobicContact CD-CB 3.55Å; K70-A98 HydrophobicContact CG-CB 4.43Å; K70-D99 PolarHBondContact N-OD1 3.03Å; K70-D120 IonicContact NZ-OD1 3.99Å; K70-D120 PolarHBondContact NZ-OD1 2.68Å; K70-D120 IonicContact NZ-OD2 3.33Å; K70-D120 PolarHBondContact NZ-OD2 3.16Å
71M91.9Very high86.8Confident18 Ų1857 Ų579%0.08929%0.29CS..Hα-helixtrans-68.8-38.8173.4-173.559.16400112.8T69 L74 K75 Y92 A95 L96 D99T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 PolarHBondContact OG1-N 3.34Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD2 4.44Å; M71-K75 HydrophobicContact CG-CD 4.38Å; M71-K75 WeakPolarHBondContact O-CB 3.24Å; M71-K75 VanDerWaalsContact O-CG 3.32Å; M71-K75 WeakPolarHBondContact O-CG 3.47Å; M71-K75 PolarHBondContact O-N 3.48Å; M71-Y92 HydrophobicContact CE-CD2 3.7Å; M71-Y92 HydrophobicContact CE-CE2 3.54Å; M71-Y92 HydrophobicContact CE-CG 4.28Å; M71-Y92 HydrophobicContact SD-CD2 3.84Å; M71-Y92 HydrophobicContact SD-CE2 3.63Å; M71-A95 HydrophobicContact CB-CB 4.42Å; M71-A95 HydrophobicContact CE-CB 3.88Å; M71-L96 HydrophobicContact CE-CB 4.06Å; M71-D99 WeakPolarHBondContact CB-OD2 3.45Å; M71-D99 PolarHBondContact N-OD2 3.31Å; M71-D99 VanDerWaalsContact N-OD2 3.16Å
72E91.3Very high86.9Confident99 Ų9964.7 Ų64.746%0.46333%0.332SS..Hα-helixtrans-64.7-44175.4-71.4174150.500111.5I68 T69 L74 K75 F76I68-E72 HydrophobicContact CG2-CB 4.28Å; T69-E72 HydrophobicContact CG2-CG 4.46Å; T69-E72 PolarHBondContact N-OE2 2.9Å; T69-E72 PolarHBondContact O-N 2.99Å; T69-E72 WeakPolarHBondContact OG1-CG 3.3Å; T69-E72 PolarHBondContact OG1-N 3.47Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L74 PolarHBondContact O-N 3.32Å; E72-K75 PolarHBondContact O-N 3.33Å; E72-F76 PolarHBondContact O-N 2.82Å
73A89Confident87Confident16 Ų1666.5 Ų66.513%0.13234%0.336CS..Hα-helixtrans-60.9-43.8174.600000111.7W60 I68 T69 F76 V77 L125W60-A73 HydrophobicContact CH2-CB 4.35Å; I68-A73 HydrophobicContact CG2-CB 4.4Å; T69-A73 PolarHBondContact O-N 3.43Å; A73-F76 PolarHBondContact O-N 2.87Å; A73-V77 WeakPolarHBondContact O-CG2 3.02Å; A73-V77 PolarHBondContact O-N 3.38Å; A73-V77 VanDerWaalsContact O-N 3.13Å; A73-L125 HydrophobicContact CB-CD1 4.19Å
74L88.1Confident87.3Confident0 Ų066.6 Ų66.60%034%0.34CS..Hα-helixtrans-62.7-42.8177.1-179.963.5000112.2K70 M71 E72 F76 V77 A78 P85 W88 E91 Y92 A95 L125K70-L74 WeakPolarHBondContact O-CB 3.22Å; K70-L74 PolarHBondContact O-N 3.04Å; M71-L74 PolarHBondContact O-N 2.85Å; M71-L74 HydrophobicContact SD-CD2 4.44Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L74 PolarHBondContact O-N 3.32Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 2.9Å; L74-V77 PolarHBondContact O-N 3.01Å; L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 3.28Å; L74-P85 HydrophobicContact CD2-CB 4.2Å; L74-P85 HydrophobicContact CG-CB 4.22Å; L74-W88 HydrophobicContact CD1-CE3 3.68Å; L74-W88 HydrophobicContact CD1-CZ3 4.22Å; L74-E91 HydrophobicContact CD1-CB 3.85Å; L74-E91 HydrophobicContact CD2-CB 4.19Å; L74-Y92 VanDerWaalsContact CD2-CA 3.45Å; L74-Y92 HydrophobicContact CD2-CD2 4.26Å; L74-A95 HydrophobicContact CD2-CB 4.08Å; L74-L125 HydrophobicContact CD1-CD2 4.09Å
75K89.4Confident87.3Confident113 Ų11366.9 Ų66.949%0.49134%0.342SS..Hα-helixtrans-59.1-45.3176.1-79.3170.3177.9-178.10112.4M71 E72 V77 A78 E79 P85M71-K75 HydrophobicContact CG-CD 4.38Å; M71-K75 WeakPolarHBondContact O-CB 3.24Å; M71-K75 VanDerWaalsContact O-CG 3.32Å; M71-K75 WeakPolarHBondContact O-CG 3.47Å; M71-K75 PolarHBondContact O-N 3.48Å; E72-K75 PolarHBondContact O-N 3.33Å; K75-V77 VanDerWaalsContact C-N 3.3Å; K75-V77 PolarHBondContact O-N 2.93Å; K75-A78 PolarHBondContact O-N 3.13Å; K75-E79 WeakPolarHBondContact O-CB 3.24Å; K75-E79 PolarHBondContact O-N 3.48Å; K75-P85 HydrophobicContact CB-CG 4.29Å; K75-P85 HydrophobicContact CG-CB 4.33Å; K75-P85 HydrophobicContact CG-CG 3.5Å; K75-P85 VanDerWaalsContact CG-CG 3.5Å
76F86.6Confident87.7Confident152 Ų15271.6 Ų71.667%0.66736%0.358SS*.Hα-helixtrans-60.1-42.2177.8178-96.3000111.9E72 A73 L74 A80E72-F76 PolarHBondContact O-N 2.82Å; A73-F76 PolarHBondContact O-N 2.87Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-F76 PolarHBondContact O-N 2.9Å; F76-A80 PolarHBondContact O-N 3.27Å; F76-A80 VanDerWaalsContact O-N 3.16Å
77V84.2Confident88.1Confident27 Ų2771.2 Ų71.216%0.16436%0.355CS..Hα-helixtrans-67.3-46.2177.2178.30000110.8A73 L74 K75 E79 A80 H81 W88 A129A73-V77 WeakPolarHBondContact O-CG2 3.02Å; A73-V77 PolarHBondContact O-N 3.38Å; A73-V77 VanDerWaalsContact O-N 3.13Å; L74-V77 PolarHBondContact O-N 3.01Å; K75-V77 VanDerWaalsContact C-N 3.3Å; K75-V77 PolarHBondContact O-N 2.93Å; V77-E79 VanDerWaalsContact C-N 3.33Å; V77-E79 PolarHBondContact O-N 3.42Å; V77-A80 WeakPolarHBondContact O-CB 3.31Å; V77-A80 PolarHBondContact O-N 2.8Å; V77-A80 VanDerWaalsContact O-N 3.14Å; V77-H81 PolarHBondContact O-CD2 3.42Å; V77-H81 VanDerWaalsContact O-CD2 3.22Å; V77-H81 PolarHBondContact O-N 2.88Å; V77-W88 HydrophobicContact CB-CZ3 4.32Å; V77-W88 HydrophobicContact CG1-CH2 3.57Å; V77-W88 HydrophobicContact CG1-CZ3 3.52Å; V77-A129 HydrophobicContact CG1-CB 4.17Å
78A86.8Confident88.1Confident0 Ų067.4 Ų67.40%034%0.336CS..Hα-helixtrans-59.6-43.7178.800000111.9L74 K75 A80 H81 D82 E83 P85L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 3.28Å; K75-A78 PolarHBondContact O-N 3.13Å; A78-A80 VanDerWaalsContact C-N 3.3Å; A78-A80 PolarHBondContact O-N 3.25Å; A78-H81 CarbonylContact O-C 3.55Å; A78-H81 WeakPolarHBondContact O-CA 3.17Å; A78-H81 PolarHBondContact O-N 2.85Å; A78-D82 PolarHBondContact O-N 2.79Å; A78-E83 CarbonylContact C-O 3.21Å; A78-E83 VanDerWaalsContact C-O 3.23Å; A78-E83 WeakPolarHBondContact CB-O 3.11Å; A78-E83 PolarHBondContact O-N 2.91Å; A78-E83 VanDerWaalsContact O-O 3.09Å; A78-P85 HydrophobicContact CB-CG 4.19Å
79E85.8Confident88.2Confident146 Ų14668.5 Ų68.568%0.68235%0.347SS*.Hα-helixtrans-59.4-39.5175.5-175.8176.5-174.800112K75 V77 H81 D82K75-E79 WeakPolarHBondContact O-CB 3.24Å; K75-E79 PolarHBondContact O-N 3.48Å; V77-E79 VanDerWaalsContact C-N 3.33Å; V77-E79 PolarHBondContact O-N 3.42Å; E79-H81 PolarHBondContact O-N 3.06Å; E79-D82 PolarHBondContact O-N 3.44Å; E79-D82 VanDerWaalsContact O-N 3.12Å
80A79.6Confident88.2Confident71 Ų7173.2 Ų73.259%0.58737%0.367SS*.Hα-helixtrans-65.8-19.8176.100000113.6F76 V77 A78F76-A80 PolarHBondContact O-N 3.27Å; F76-A80 VanDerWaalsContact O-N 3.16Å; V77-A80 WeakPolarHBondContact O-CB 3.31Å; V77-A80 PolarHBondContact O-N 2.8Å; V77-A80 VanDerWaalsContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.3Å; A78-A80 PolarHBondContact O-N 3.25Å
81H81.3Confident88.2Confident51 Ų5172.4 Ų72.424%0.23636%0.364CS..THydrogen-bonded Turntrans-100.57.8176-73.3-77000113.3V77 A78 E79 E83 W88V77-H81 PolarHBondContact O-CD2 3.42Å; V77-H81 VanDerWaalsContact O-CD2 3.22Å; V77-H81 PolarHBondContact O-N 2.88Å; A78-H81 CarbonylContact O-C 3.55Å; A78-H81 WeakPolarHBondContact O-CA 3.17Å; A78-H81 PolarHBondContact O-N 2.85Å; E79-H81 PolarHBondContact O-N 3.06Å; H81-E83 HydrophobicContact CB-CB 4.36Å; H81-E83 HydrophobicContact CB-CG 4.37Å; H81-E83 PolarHBondContact O-N 3.17Å; H81-W88 AromaticContact CD2-CH2 3.78Å
82D87.9Confident88.2Confident164 Ų16475.2 Ų75.288%0.87737%0.374SS*.THydrogen-bonded Turntrans53.629.7-171-66.2-53.9000112.8A78 E79A78-D82 PolarHBondContact O-N 2.79Å; E79-D82 PolarHBondContact O-N 3.44Å; E79-D82 VanDerWaalsContact O-N 3.12Å
83E90.9Very high88.2Confident75 Ų7574.9 Ų74.935%0.3538%0.375SS..  trans-114.5165.5-179.7-75.5-170.8-156.100111.7A78 H81 W88A78-E83 CarbonylContact C-O 3.21Å; A78-E83 VanDerWaalsContact C-O 3.23Å; A78-E83 WeakPolarHBondContact CB-O 3.11Å; A78-E83 PolarHBondContact O-N 2.91Å; A78-E83 VanDerWaalsContact O-O 3.09Å; H81-E83 HydrophobicContact CB-CB 4.36Å; H81-E83 HydrophobicContact CB-CG 4.37Å; H81-E83 PolarHBondContact O-N 3.17Å; E83-W88 PolarHBondContact OE2-NE1 2.98Å
84E92.8Very high88.1Confident97 Ų9778.1 Ų78.145%0.45339%0.386SS..  trans-98.5144.8175.8-69-77.7-167.100110.3W86 S87E84-W86 HydrophobicContact CB-CD2 3.67Å; E84-W86 HydrophobicContact CB-CE3 3.89Å; E84-W86 HydrophobicContact CB-CG 4.39Å; E84-W86 HydrophobicContact CB-CH2 3.6Å; E84-W86 HydrophobicContact CB-CZ2 3.35Å; E84-W86 HydrophobicContact CB-CZ3 3.84Å; E84-W86 HydrophobicContact CG-CH2 3.42Å; E84-W86 VanDerWaalsContact CG-CH2 3.42Å; E84-W86 HydrophobicContact CG-CZ2 3.29Å; E84-W86 HydrophobicContact CG-CZ3 4.09Å; E84-W86 PolarHBondContact O-N 2.85Å; E84-W86 WeakPolarHBondContact OE1-CH2 3.47Å; E84-W86 WeakPolarHBondContact OE2-CH2 3.41Å; E84-W86 WeakPolarHBondContact OE2-CZ3 3.46Å; E84-S87 WeakPolarHBondContact O-CB 3.16Å; E84-S87 PolarHBondContact O-N 3.46Å; E84-S87 PolarHBondContact O-OG 3.12Å
85P89.1Confident88.2Confident10 Ų1078.2 Ų78.27%0.06539%0.387CS..G310 helixtrans-57.2-30.1-175.8-22.629.7000114L74 K75 A78 S87 W88 Y92L74-P85 HydrophobicContact CD2-CB 4.2Å; L74-P85 HydrophobicContact CG-CB 4.22Å; K75-P85 HydrophobicContact CB-CG 4.29Å; K75-P85 HydrophobicContact CG-CB 4.33Å; K75-P85 HydrophobicContact CG-CG 3.5Å; K75-P85 VanDerWaalsContact CG-CG 3.5Å; A78-P85 HydrophobicContact CB-CG 4.19Å; P85-S87 VanDerWaalsContact C-N 3.28Å; P85-S87 PolarHBondContact O-N 3.19Å; P85-W88 PolarHBondContact O-N 3.48Å; P85-Y92 HydrophobicContact CB-CD2 3.93Å; P85-Y92 HydrophobicContact CB-CE2 4.31Å
86W91.4Very high88.3Confident157 Ų15775.5 Ų75.560%0.59538%0.378SS*.G310 helixtrans-78-1117962.676.2000113.5E84 W88E84-W86 HydrophobicContact CB-CD2 3.67Å; E84-W86 HydrophobicContact CB-CE3 3.89Å; E84-W86 HydrophobicContact CB-CG 4.39Å; E84-W86 HydrophobicContact CB-CH2 3.6Å; E84-W86 HydrophobicContact CB-CZ2 3.35Å; E84-W86 HydrophobicContact CB-CZ3 3.84Å; E84-W86 HydrophobicContact CG-CH2 3.42Å; E84-W86 VanDerWaalsContact CG-CH2 3.42Å; E84-W86 HydrophobicContact CG-CZ2 3.29Å; E84-W86 HydrophobicContact CG-CZ3 4.09Å; E84-W86 PolarHBondContact O-N 2.85Å; E84-W86 WeakPolarHBondContact OE1-CH2 3.47Å; E84-W86 WeakPolarHBondContact OE2-CH2 3.41Å; E84-W86 WeakPolarHBondContact OE2-CZ3 3.46Å; W86-W88 PolarHBondContact O-N 3.38Å
87S92Very high88.4Confident61 Ų6173.1 Ų73.143%0.42737%0.368SS..G310 helixtrans-62.1-21.3169.7-63.50000111.4E84 P85 P89E84-S87 WeakPolarHBondContact O-CB 3.16Å; E84-S87 PolarHBondContact O-N 3.46Å; E84-S87 PolarHBondContact O-OG 3.12Å; P85-S87 VanDerWaalsContact C-N 3.28Å; P85-S87 PolarHBondContact O-N 3.19Å; S87-P89 VanDerWaalsContact C-CD 3.44Å; S87-P89 WeakPolarHBondContact O-CD 3.22Å
88W88.8Confident88.5Confident20 Ų2073.3 Ų73.38%0.07637%0.373CS..SBendtrans-111.176.7176.9-56.3-6.6000109.7L74 V77 H81 E83 P85 W86 E90 E91 Y92 L128 V132L74-W88 HydrophobicContact CD1-CE3 3.68Å; L74-W88 HydrophobicContact CD1-CZ3 4.22Å; V77-W88 HydrophobicContact CB-CZ3 4.32Å; V77-W88 HydrophobicContact CG1-CH2 3.57Å; V77-W88 HydrophobicContact CG1-CZ3 3.52Å; H81-W88 AromaticContact CD2-CH2 3.78Å; E83-W88 PolarHBondContact OE2-NE1 2.98Å; P85-W88 PolarHBondContact O-N 3.48Å; W86-W88 PolarHBondContact O-N 3.38Å; W88-E90 VanDerWaalsContact C-N 3.31Å; W88-E90 PolarHBondContact O-N 3.46Å; W88-E91 HydrophobicContact CB-CB 4.13Å; W88-E91 HydrophobicContact CB-CG 4.4Å; W88-E91 PolarHBondContact O-N 3.15Å; W88-Y92 VanDerWaalsContact O-CB 3.29Å; W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.08Å; W88-L128 HydrophobicContact CD2-CD2 3.57Å; W88-L128 HydrophobicContact CE3-CD2 3.01Å; W88-L128 HydrophobicContact CE3-CG 4.38Å; W88-L128 HydrophobicContact CH2-CD2 3.29Å; W88-L128 HydrophobicContact CZ2-CD2 3.85Å; W88-L128 HydrophobicContact CZ3-CD2 2.88Å; W88-L128 HydrophobicContact CZ3-CG 4.37Å; W88-V132 HydrophobicContact CH2-CG2 4.23Å; W88-V132 HydrophobicContact CZ2-CG1 4.35Å; W88-V132 HydrophobicContact CZ2-CG2 3.76Å
89P90.4Very high88.6Confident79 Ų7974.4 Ų74.451%0.51338%0.379SS..Hα-helixtrans-65.6-29.6-166.123.5-34.2000113.8S87 N93S87-P89 VanDerWaalsContact C-CD 3.44Å; S87-P89 WeakPolarHBondContact O-CD 3.22Å; P89-N93 WeakPolarHBondContact O-CB 3.49Å; P89-N93 VanDerWaalsContact O-CG 3.24Å; P89-N93 PolarHBondContact O-N 3.14Å; P89-N93 VanDerWaalsContact O-N 3.15Å; P89-N93 PolarHBondContact O-ND2 3.2Å
90E88.6Confident88.8Confident135 Ų13571 Ų7163%0.63136%0.362SS*.Hα-helixtrans-68.5-48176.7-66.7-167.1178.700110.9W88 N93 K94W88-E90 VanDerWaalsContact C-N 3.31Å; W88-E90 PolarHBondContact O-N 3.46Å; E90-N93 PolarHBondContact O-N 3.19Å; E90-K94 VanDerWaalsContact O-CG 3.32Å; E90-K94 WeakPolarHBondContact O-CG 3.08Å; E90-K94 PolarHBondContact O-N 3.41Å
91E86.9Confident89.1Confident30 Ų3069.9 Ų69.914%0.1435%0.353CS..Hα-helixtrans-65.8-43.5-179.8-69.657.6-129.900110.7L74 W88 N93 K94 A95 L125 L128L74-E91 HydrophobicContact CD1-CB 3.85Å; L74-E91 HydrophobicContact CD2-CB 4.19Å; W88-E91 HydrophobicContact CB-CB 4.13Å; W88-E91 HydrophobicContact CB-CG 4.4Å; W88-E91 PolarHBondContact O-N 3.15Å; E91-N93 VanDerWaalsContact C-N 3.35Å; E91-N93 PolarHBondContact O-N 2.91Å; E91-K94 PolarHBondContact O-N 3.04Å; E91-A95 VanDerWaalsContact O-CB 3.22Å; E91-A95 WeakPolarHBondContact O-CB 3.2Å; E91-A95 PolarHBondContact O-N 3.36Å; E91-L125 HydrophobicContact CG-CD2 4.41Å; E91-L128 HydrophobicContact CG-CD1 3.43Å; E91-L128 VanDerWaalsContact CG-CD1 3.43Å; E91-L128 HydrophobicContact CG-CD2 4.49Å; E91-L128 WeakPolarHBondContact OE1-CD1 3.38Å
92Y91.1Very high89.2Confident76 Ų7669.7 Ų69.730%0.29835%0.351SS..Hα-helixtrans-58.7-46.4176.4-175.2-95.1000111.7M71 L74 P85 W88 A95 L96M71-Y92 HydrophobicContact CE-CD2 3.7Å; M71-Y92 HydrophobicContact CE-CE2 3.54Å; M71-Y92 HydrophobicContact CE-CG 4.28Å; M71-Y92 HydrophobicContact SD-CD2 3.84Å; M71-Y92 HydrophobicContact SD-CE2 3.63Å; L74-Y92 VanDerWaalsContact CD2-CA 3.45Å; L74-Y92 HydrophobicContact CD2-CD2 4.26Å; P85-Y92 HydrophobicContact CB-CD2 3.93Å; P85-Y92 HydrophobicContact CB-CE2 4.31Å; W88-Y92 VanDerWaalsContact O-CB 3.29Å; W88-Y92 WeakPolarHBondContact O-CB 3.24Å; W88-Y92 PolarHBondContact O-N 3.08Å; Y92-A95 PolarHBondContact O-N 2.71Å; Y92-L96 VanDerWaalsContact O-CB 3.32Å; Y92-L96 WeakPolarHBondContact O-CB 3.43Å; Y92-L96 PolarHBondContact O-N 3.44Å
93N91.5Very high89.1Confident93 Ų9368.1 Ų68.150%0.49734%0.339SS..Hα-helixtrans-66.8-42.5177.7-74.9-41.2000111.9P89 E90 E91 A95 L96 E97P89-N93 WeakPolarHBondContact O-CB 3.49Å; P89-N93 VanDerWaalsContact O-CG 3.24Å; P89-N93 PolarHBondContact O-N 3.14Å; P89-N93 VanDerWaalsContact O-N 3.15Å; P89-N93 PolarHBondContact O-ND2 3.2Å; E90-N93 PolarHBondContact O-N 3.19Å; E91-N93 VanDerWaalsContact C-N 3.35Å; E91-N93 PolarHBondContact O-N 2.91Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 2.86Å; N93-L96 PolarHBondContact O-N 3.04Å; N93-E97 WeakPolarHBondContact O-CG 3.13Å; N93-E97 PolarHBondContact O-N 2.9Å
94K87.5Confident88.9Confident84 Ų8472.8 Ų72.837%0.36535%0.353SS..Hα-helixtrans-60-44.2174.5-74.3172.5-176.5173.70111.7E90 E91 E97 A98 E124E90-K94 VanDerWaalsContact O-CG 3.32Å; E90-K94 WeakPolarHBondContact O-CG 3.08Å; E90-K94 PolarHBondContact O-N 3.41Å; E91-K94 PolarHBondContact O-N 3.04Å; K94-E97 PolarHBondContact O-N 3.45Å; K94-A98 WeakPolarHBondContact O-CB 3.48Å; K94-A98 PolarHBondContact O-N 3.16Å; K94-E124 IonicContact NZ-OE2 2.82Å; K94-E124 PolarHBondContact NZ-OE2 2.98Å
95A89Confident88.3Confident2 Ų269.8 Ų69.82%0.01734%0.343CS..Hα-helixtrans-63.3-44.5178.200000111.5K70 M71 L74 E91 Y92 N93 E97 A98 D99K70-A95 HydrophobicContact CB-CB 4.09Å; K70-A95 HydrophobicContact CG-CB 4.02Å; M71-A95 HydrophobicContact CB-CB 4.42Å; M71-A95 HydrophobicContact CE-CB 3.88Å; L74-A95 HydrophobicContact CD2-CB 4.08Å; E91-A95 VanDerWaalsContact O-CB 3.22Å; E91-A95 WeakPolarHBondContact O-CB 3.2Å; E91-A95 PolarHBondContact O-N 3.36Å; Y92-A95 PolarHBondContact O-N 2.71Å; N93-A95 VanDerWaalsContact C-N 3.34Å; N93-A95 PolarHBondContact O-N 2.86Å; A95-E97 PolarHBondContact O-N 3.07Å; A95-A98 PolarHBondContact O-N 3.15Å; A95-D99 PolarHBondContact O-N 3.03Å
96L91.7Very high87.8Confident56 Ų5675.3 Ų75.329%0.29337%0.367SS..Hα-helixtrans-62.3-43177.9-176.264.6000112.5M71 Y92 N93 K100M71-L96 HydrophobicContact CE-CB 4.06Å; Y92-L96 VanDerWaalsContact O-CB 3.32Å; Y92-L96 WeakPolarHBondContact O-CB 3.43Å; Y92-L96 PolarHBondContact O-N 3.44Å; N93-L96 PolarHBondContact O-N 3.04Å; L96-K100 VanDerWaalsContact O-CG 3.31Å; L96-K100 WeakPolarHBondContact O-CG 3.32Å; L96-K100 PolarHBondContact O-N 3.27Å; L96-K100 VanDerWaalsContact O-N 3.12Å
97E89.6Confident87.3Confident101 Ų10172.2 Ų72.247%0.47238%0.375SS..Hα-helixtrans-70.3-38.2178.2-69.7-55124.400112.4N93 K94 A95 D99 K100 A101N93-E97 WeakPolarHBondContact O-CG 3.13Å; N93-E97 PolarHBondContact O-N 2.9Å; K94-E97 PolarHBondContact O-N 3.45Å; A95-E97 PolarHBondContact O-N 3.07Å; E97-D99 PolarHBondContact O-N 2.85Å; E97-K100 IonicContact OE1-NZ 3.62Å; E97-K100 PolarHBondContact OE1-NZ 3.13Å; E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.5Å
98A85.8Confident86.7Confident31 Ų3172.4 Ų72.426%0.25638%0.381SS..Hα-helixtrans-61.3-43.817500000111.9K70 K94 A95 A101 K102K70-A98 HydrophobicContact CB-CB 4.05Å; K70-A98 HydrophobicContact CD-CB 3.55Å; K70-A98 HydrophobicContact CG-CB 4.43Å; K94-A98 WeakPolarHBondContact O-CB 3.48Å; K94-A98 PolarHBondContact O-N 3.16Å; A95-A98 PolarHBondContact O-N 3.15Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.27Å; A98-K102 PolarHBondContact O-N 3.3Å
99D88.6Confident85.8Confident24 Ų2474.6 Ų74.613%0.12841%0.41CS..Hα-helixtrans-69.2-41.8-179-722.1000111.6T69 K70 M71 A95 E97 A101 K102 E103T69-D99 VanDerWaalsContact CB-CG 3.46Å; T69-D99 VanDerWaalsContact CB-OD1 3.29Å; T69-D99 WeakPolarHBondContact CB-OD1 3.43Å; T69-D99 WeakPolarHBondContact CB-OD2 3.22Å; T69-D99 PolarHBondContact OG1-OD2 2.81Å; K70-D99 PolarHBondContact N-OD1 3.03Å; M71-D99 WeakPolarHBondContact CB-OD2 3.45Å; M71-D99 PolarHBondContact N-OD2 3.31Å; M71-D99 VanDerWaalsContact N-OD2 3.16Å; A95-D99 PolarHBondContact O-N 3.03Å; E97-D99 PolarHBondContact O-N 2.85Å; D99-A101 VanDerWaalsContact C-N 3.3Å; D99-A101 PolarHBondContact O-N 3.27Å; D99-K102 WeakPolarHBondContact O-CB 3.41Å; D99-K102 PolarHBondContact O-N 3.46Å; D99-E103 WeakPolarHBondContact O-CG 3.29Å; D99-E103 PolarHBondContact O-N 3.5Å
100K90Very high84.6Confident73 Ų7375.7 Ų75.732%0.31741%0.411SS..Hα-helixtrans-59.7-40.1171.6-73.1172.3-169.5162.50112.2L96 E97 E103 R104L96-K100 VanDerWaalsContact O-CG 3.31Å; L96-K100 WeakPolarHBondContact O-CG 3.32Å; L96-K100 PolarHBondContact O-N 3.27Å; L96-K100 VanDerWaalsContact O-N 3.12Å; E97-K100 IonicContact OE1-NZ 3.62Å; E97-K100 PolarHBondContact OE1-NZ 3.13Å; K100-E103 PolarHBondContact O-N 3.02Å; K100-R104 VanDerWaalsContact O-CG 3.32Å; K100-R104 WeakPolarHBondContact O-CG 3.33Å; K100-R104 PolarHBondContact O-N 3.08Å
101A86.8Confident83Confident48 Ų4877.5 Ų77.540%0.39742%0.419SS..Hα-helixtrans-65.5-42177.300000111E97 A98 D99 R104 S105E97-A101 WeakPolarHBondContact O-CB 3.22Å; E97-A101 PolarHBondContact O-N 3.5Å; A98-A101 WeakPolarHBondContact O-CB 3.39Å; A98-A101 PolarHBondContact O-N 3.27Å; D99-A101 VanDerWaalsContact C-N 3.3Å; D99-A101 PolarHBondContact O-N 3.27Å; A101-R104 PolarHBondContact O-N 2.88Å; A101-S105 PolarHBondContact O-N 3.28Å; A101-S105 PolarHBondContact O-OG 3.4Å; A101-S105 VanDerWaalsContact O-OG 3.1Å
102K82.5Confident81Confident48 Ų4882.3 Ų82.321%0.20944%0.44CS..Hα-helixtrans-58.6-48.9174.1-176.6176.3175.3177.20111.5H65 S66 I68 A98 D99 R104 S105 Q106H65-K102 WeakPolarHBondContact O-CE 3.29Å; H65-K102 PolarHBondContact O-NZ 2.89Å; S66-K102 PolarHBondContact O-NZ 2.76Å; I68-K102 PolarHBondContact O-NZ 2.76Å; A98-K102 PolarHBondContact O-N 3.3Å; D99-K102 WeakPolarHBondContact O-CB 3.41Å; D99-K102 PolarHBondContact O-N 3.46Å; K102-R104 PolarHBondContact O-N 2.81Å; K102-S105 PolarHBondContact O-N 3.3Å; K102-Q106 WeakPolarHBondContact O-CG 3.3Å; K102-Q106 PolarHBondContact O-N 2.82Å
103E86.9Confident78.7Confident131 Ų13186.5 Ų86.561%0.61246%0.455SS*.Hα-helixtrans-59.3-43.4177-73.3177.8176.300112.3D99 K100 Q106 A107D99-E103 WeakPolarHBondContact O-CG 3.29Å; D99-E103 PolarHBondContact O-N 3.5Å; K100-E103 PolarHBondContact O-N 3.02Å; E103-Q106 PolarHBondContact O-N 3.03Å; E103-A107 WeakPolarHBondContact O-CB 2.98Å; E103-A107 PolarHBondContact O-N 3.49Å
104R85.1Confident76.4Confident173 Ų17383.1 Ų83.165%0.65344%0.439SS*.Hα-helixtrans-63.3-43.6177.1-73.4176.2-167.9163.46.7112.3K100 A101 K102 A107 A108K100-R104 VanDerWaalsContact O-CG 3.32Å; K100-R104 WeakPolarHBondContact O-CG 3.33Å; K100-R104 PolarHBondContact O-N 3.08Å; A101-R104 PolarHBondContact O-N 2.88Å; K102-R104 PolarHBondContact O-N 2.81Å; R104-A107 PolarHBondContact O-N 3.39Å; R104-A108 WeakPolarHBondContact O-CB 2.96Å; R104-A108 PolarHBondContact O-N 3.41Å
105S80.6Confident74.1Confident34 Ų3487.4 Ų87.424%0.23846%0.46CS..Hα-helixtrans-62.6-44.6177.7-63.70000111.2A101 K102 A108 G109 L110A101-S105 PolarHBondContact O-N 3.28Å; A101-S105 PolarHBondContact O-OG 3.4Å; A101-S105 VanDerWaalsContact O-OG 3.1Å; K102-S105 PolarHBondContact O-N 3.3Å; S105-A108 PolarHBondContact O-N 3.48Å; S105-G109 PolarHBondContact O-N 2.8Å; S105-L110 CarbonylContact C-O 3.48Å; S105-L110 PolarHBondContact O-N 2.81Å; S105-L110 VanDerWaalsContact O-O 3.11Å
106Q79.5Confident72.1Confident125 Ų12593.8 Ų93.858%0.58449%0.494SS*.Hα-helixtrans-61.6-45.4175.5-71.9176.6-15.800112K102 E103 A108 G109K102-Q106 WeakPolarHBondContact O-CG 3.3Å; K102-Q106 PolarHBondContact O-N 2.82Å; E103-Q106 PolarHBondContact O-N 3.03Å; Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 2.91Å; Q106-G109 PolarHBondContact O-N 3.35Å; Q106-G109 VanDerWaalsContact O-N 3.1Å
107A80.4Confident70.2Confident92 Ų9293.6 Ų93.676%0.7650%0.495SS*.Hα-helixtrans-64.3-30.3177.800000113E103 R104 G109E103-A107 WeakPolarHBondContact O-CB 2.98Å; E103-A107 PolarHBondContact O-N 3.49Å; R104-A107 PolarHBondContact O-N 3.39Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3Å
108A80.1Confident68Low65 Ų6594.7 Ų94.754%0.53750%0.502SS..THydrogen-bonded Turntrans-80.1-3.3176.500000113.7R104 S105 Q106 L110R104-A108 WeakPolarHBondContact O-CB 2.96Å; R104-A108 PolarHBondContact O-N 3.41Å; S105-A108 PolarHBondContact O-N 3.48Å; Q106-A108 VanDerWaalsContact C-N 3.26Å; Q106-A108 PolarHBondContact O-N 2.91Å; A108-L110 HydrophobicContact CB-CB 4.34Å; A108-L110 HydrophobicContact CB-CD1 3.79Å; A108-L110 HydrophobicContact CB-CG 3.96Å; A108-L110 PolarHBondContact O-N 3.49Å
109G69.6Low66.3Low67 Ų6799.4 Ų99.469%0.69152%0.523SS*.THydrogen-bonded Turntrans62.918.5-17200000112.9S105 Q106 A107S105-G109 PolarHBondContact O-N 2.8Å; Q106-G109 PolarHBondContact O-N 3.35Å; Q106-G109 VanDerWaalsContact O-N 3.1Å; A107-G109 VanDerWaalsContact C-N 3.27Å; A107-G109 PolarHBondContact O-N 3Å
110L64.2Low64.5Low102 Ų102101 Ų10153%0.53453%0.531SS..  trans-92.7102.8175.6-67.5168.3000106.7S105 A108 F112S105-L110 CarbonylContact C-O 3.48Å; S105-L110 PolarHBondContact O-N 2.81Å; S105-L110 VanDerWaalsContact O-O 3.11Å; A108-L110 HydrophobicContact CB-CB 4.34Å; A108-L110 HydrophobicContact CB-CD1 3.79Å; A108-L110 HydrophobicContact CB-CG 3.96Å; A108-L110 PolarHBondContact O-N 3.49Å; L110-F112 HydrophobicContact CB-CB 4.19Å; L110-F112 PolarHBondContact O-N 3.08Å
111E55.6Low62.7Low172 Ų172103.2 Ų103.280%0.80454%0.541SS*.  trans-6871.2156.3-69.8-172.5-178.600107.3W113E111-W113 VanDerWaalsContact O-CD1 3.23Å; E111-W113 PolarHBondContact O-N 3.39Å
112F44.3Very low60.9Low131 Ų131101.8 Ų101.858%0.57553%0.529SS*.  trans-78.289.7-174-170.4-116.4000108.6L110 S114L110-F112 HydrophobicContact CB-CB 4.19Å; L110-F112 PolarHBondContact O-N 3.08Å; F112-S114 VanDerWaalsContact CD1-CB 3.42Å; F112-S114 PolarHBondContact O-N 2.99Å
113W44.4Very low59.3Low164 Ų164102 Ų10262%0.62153%0.533SS*.  trans-67.482.7159.9-58.988.8000107.4E111 M118E111-W113 VanDerWaalsContact O-CD1 3.23Å; E111-W113 PolarHBondContact O-N 3.39Å; W113-M118 HydrophobicContact CB-SD 4.49Å; W113-M118 HydrophobicContact CE3-CG 4.38Å
114S43.2Very low57.9Low22 Ų2299 Ų9915%0.15452%0.518CS..  trans-77.9144.7171.4108.90000109F112 D116 T117 M118F112-S114 VanDerWaalsContact CD1-CB 3.42Å; F112-S114 PolarHBondContact O-N 2.99Å; S114-D116 PolarHBondContact O-N 2.92Å; S114-D116 WeakPolarHBondContact OG-CB 3.16Å; S114-D116 PolarHBondContact OG-N 3.09Å; S114-D116 VanDerWaalsContact OG-N 3.13Å; S114-T117 WeakPolarHBondContact CA-OG1 3.4Å; S114-T117 WeakPolarHBondContact CB-OG1 3.32Å; S114-T117 PolarHBondContact N-OG1 2.83Å; S114-T117 WeakPolarHBondContact O-CA 3.38Å; S114-T117 PolarHBondContact O-N 3.19Å; S114-T117 PolarHBondContact O-OG1 3.15Å; S114-T117 PolarHBondContact OG-N 3.13Å; S114-T117 VanDerWaalsContact OG-N 3.09Å; S114-T117 PolarHBondContact OG-OG1 2.95Å; S114-T117 VanDerWaalsContact OG-OG1 3.08Å; S114-M118 PolarHBondContact O-N 3.38Å
115E39.1Very low56.4Low175 Ų17592 Ų9282%0.81849%0.494SS*.Hα-helixtrans-58.2-28.8174.2-124.4155.8172.400111.9N119E115-N119 VanDerWaalsContact O-CB 3.27Å; E115-N119 WeakPolarHBondContact O-CB 3.29Å; E115-N119 PolarHBondContact O-N 3.43Å; E115-N119 VanDerWaalsContact O-N 3.08Å
116D46.5Very low55.3Low135 Ų13591.6 Ų91.672%0.72249%0.49SS*.Hα-helixtrans-72-26.5172.6-82.5-23.5000113.4S114 D120S114-D116 PolarHBondContact O-N 2.92Å; S114-D116 WeakPolarHBondContact OG-CB 3.16Å; S114-D116 PolarHBondContact OG-N 3.09Å; S114-D116 VanDerWaalsContact OG-N 3.13Å; D116-D120 VanDerWaalsContact O-CA 3.29Å; D116-D120 WeakPolarHBondContact O-CA 3.36Å; D116-D120 VanDerWaalsContact O-CB 3.3Å; D116-D120 WeakPolarHBondContact O-CB 3.5Å; D116-D120 PolarHBondContact O-N 3.29Å; D116-D120 VanDerWaalsContact O-N 3.13Å
117T51.2Low54.1Low52 Ų5289.9 Ų89.932%0.31948%0.482SS..Hα-helixtrans-81.3-3817423.10000111.3H65 S114 N119 D120H65-T117 PolarHBondContact NE2-O 3.41Å; S114-T117 WeakPolarHBondContact CA-OG1 3.4Å; S114-T117 WeakPolarHBondContact CB-OG1 3.32Å; S114-T117 PolarHBondContact N-OG1 2.83Å; S114-T117 WeakPolarHBondContact O-CA 3.38Å; S114-T117 PolarHBondContact O-N 3.19Å; S114-T117 PolarHBondContact O-OG1 3.15Å; S114-T117 PolarHBondContact OG-N 3.13Å; S114-T117 VanDerWaalsContact OG-N 3.09Å; S114-T117 PolarHBondContact OG-OG1 2.95Å; S114-T117 VanDerWaalsContact OG-OG1 3.08Å; T117-N119 PolarHBondContact O-N 2.97Å; T117-D120 PolarHBondContact O-N 2.78Å
118M43.7Very low52.9Low125 Ų12587.2 Ų87.262%0.61646%0.455SS*.Hα-helixtrans-68.7-24.4174.7-67.5-171.865.700113.3W113 S114W113-M118 HydrophobicContact CB-SD 4.49Å; W113-M118 HydrophobicContact CE3-CG 4.38Å; S114-M118 PolarHBondContact O-N 3.38Å
119N50.3Low51.8Low129 Ų12984.6 Ų84.669%0.6943%0.434SS*.THydrogen-bonded Turntrans-10611.9176.7-132.326.3000112.2E115 T117 K121E115-N119 VanDerWaalsContact O-CB 3.27Å; E115-N119 WeakPolarHBondContact O-CB 3.29Å; E115-N119 PolarHBondContact O-N 3.43Å; E115-N119 VanDerWaalsContact O-N 3.08Å; T117-N119 PolarHBondContact O-N 2.97Å; N119-K121 PolarHBondContact O-N 2.99Å
120D51.6Low51.1Low58 Ų5882.5 Ų82.531%0.3141%0.406SS..  trans-64.3129.9-169.7-155.12.7000110.6K70 D116 T117 A122K70-D120 IonicContact NZ-OD1 3.99Å; K70-D120 PolarHBondContact NZ-OD1 2.68Å; K70-D120 IonicContact NZ-OD2 3.33Å; K70-D120 PolarHBondContact NZ-OD2 3.16Å; D116-D120 VanDerWaalsContact O-CA 3.29Å; D116-D120 WeakPolarHBondContact O-CA 3.36Å; D116-D120 VanDerWaalsContact O-CB 3.3Å; D116-D120 WeakPolarHBondContact O-CB 3.5Å; D116-D120 PolarHBondContact O-N 3.29Å; D116-D120 VanDerWaalsContact O-N 3.13Å; T117-D120 PolarHBondContact O-N 2.78Å; D120-A122 PolarHBondContact O-N 3.12Å
121K51.3Low50.3Low119 Ų11979.6 Ų79.652%0.51740%0.401SS..  trans-79.469.8-169.7-57.8169.8177.3173.50110N119 N123 E124N119-K121 PolarHBondContact O-N 2.99Å; K121-N123 PolarHBondContact O-N 2.92Å; K121-E124 HydrophobicContact CB-CB 4.37Å; K121-E124 HydrophobicContact CB-CG 3.9Å; K121-E124 HydrophobicContact CD-CG 3.93Å; K121-E124 WeakPolarHBondContact CD-OE1 3.27Å; K121-E124 IonicContact NZ-OE1 2.78Å; K121-E124 PolarHBondContact NZ-OE1 3.1Å; K121-E124 WeakPolarHBondContact O-CB 3.33Å; K121-E124 PolarHBondContact O-N 3.33Å
122A48.6Very low50.1Low18 Ų1873.9 Ų73.915%0.14938%0.378CS..Hα-helixtrans-54.9-18.2156.100000112.4W60 D120 E124 L125 V126W60-A122 HydrophobicContact CD2-CB 4.5Å; W60-A122 HydrophobicContact CG-CB 3.92Å; D120-A122 PolarHBondContact O-N 3.12Å; A122-E124 VanDerWaalsContact C-N 3.27Å; A122-E124 PolarHBondContact O-N 2.92Å; A122-L125 PolarHBondContact O-N 3.5Å; A122-V126 PolarHBondContact O-N 3.21Å
123N49.9Very low50Low53 Ų5370.4 Ų70.428%0.28337%0.367SS..Hα-helixtrans-56.4-34.5166.4-142.83.4000113.1S1 K121 Q127S1-N123 WeakPolarHBondContact CA-ND2 3.33Å; S1-N123 WeakPolarHBondContact CA-OD1 3.32Å; S1-N123 WeakPolarHBondContact CB-OD1 3.46Å; S1-N123 WeakPolarHBondContact OG-CA 3.29Å; S1-N123 WeakPolarHBondContact OG-CB 3.49Å; S1-N123 PolarHBondContact OG-N 3.26Å; S1-N123 PolarHBondContact OG-OD1 2.73Å; K121-N123 PolarHBondContact O-N 2.92Å; N123-Q127 VanDerWaalsContact O-CB 3.24Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 WeakPolarHBondContact O-CG 3.48Å; N123-Q127 PolarHBondContact O-N 3.38Å
124E57Low49.9Very low67 Ų6770 Ų7031%0.31337%0.372SS..Hα-helixtrans-66.8-42.1178.2-76.2-176.6-168.700112.3K94 K121 A122 Q127 L128K94-E124 IonicContact NZ-OE2 2.82Å; K94-E124 PolarHBondContact NZ-OE2 2.98Å; K121-E124 HydrophobicContact CB-CB 4.37Å; K121-E124 HydrophobicContact CB-CG 3.9Å; K121-E124 HydrophobicContact CD-CG 3.93Å; K121-E124 WeakPolarHBondContact CD-OE1 3.27Å; K121-E124 IonicContact NZ-OE1 2.78Å; K121-E124 PolarHBondContact NZ-OE1 3.1Å; K121-E124 WeakPolarHBondContact O-CB 3.33Å; K121-E124 PolarHBondContact O-N 3.33Å; A122-E124 VanDerWaalsContact C-N 3.27Å; A122-E124 PolarHBondContact O-N 2.92Å; E124-Q127 PolarHBondContact O-N 3.27Å; E124-L128 WeakPolarHBondContact O-CB 3.41Å; E124-L128 PolarHBondContact O-N 2.97Å
125L53.8Low49.6Very low26 Ų2681.1 Ų81.114%0.13642%0.422CS..Hα-helixtrans-68.5-37.7178.1-68.5175.7000112.4A73 L74 E91 A122 L128 A129A73-L125 HydrophobicContact CB-CD1 4.19Å; L74-L125 HydrophobicContact CD1-CD2 4.09Å; E91-L125 HydrophobicContact CG-CD2 4.41Å; A122-L125 PolarHBondContact O-N 3.5Å; L125-L128 PolarHBondContact O-N 2.94Å; L125-A129 WeakPolarHBondContact O-CB 3.45Å; L125-A129 PolarHBondContact O-N 2.89Å
126V56.4Low50.1Low26 Ų2676.4 Ų76.416%0.15840%0.402CS..Hα-helixtrans-66.5-45.2173.5169.20000111I6 L9 A122 L128 A129 I130I6-V126 HydrophobicContact CD1-CB 4.26Å; I6-V126 HydrophobicContact CD1-CG1 3.58Å; I6-V126 HydrophobicContact CD1-CG2 3.7Å; L9-V126 HydrophobicContact CD1-CG1 4.16Å; A122-V126 PolarHBondContact O-N 3.21Å; V126-L128 PolarHBondContact O-N 2.78Å; V126-A129 PolarHBondContact O-N 3.38Å; V126-I130 HydrophobicContact CG1-CD1 3.83Å; V126-I130 WeakPolarHBondContact O-CB 3.33Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.42Å
127Q54Low50.3Low89 Ų8973.3 Ų73.342%0.41639%0.385SS..Hα-helixtrans-64-32.8176.9-73-63.1-31.200111.8N123 E124 I130 G131N123-Q127 VanDerWaalsContact O-CB 3.24Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 WeakPolarHBondContact O-CG 3.48Å; N123-Q127 PolarHBondContact O-N 3.38Å; E124-Q127 PolarHBondContact O-N 3.27Å; Q127-I130 PolarHBondContact O-N 3.32Å; Q127-G131 PolarHBondContact O-N 3.47Å
128L57.3Low50.3Low36 Ų3674.5 Ų74.519%0.18839%0.389CS..Hα-helixtrans-73.7-43.5176.9-169.5139.4000112W88 E91 E124 L125 V126 I130 G131 V132W88-L128 HydrophobicContact CD2-CD2 3.57Å; W88-L128 HydrophobicContact CE3-CD2 3.01Å; W88-L128 HydrophobicContact CE3-CG 4.38Å; W88-L128 HydrophobicContact CH2-CD2 3.29Å; W88-L128 HydrophobicContact CZ2-CD2 3.85Å; W88-L128 HydrophobicContact CZ3-CD2 2.88Å; W88-L128 HydrophobicContact CZ3-CG 4.37Å; E91-L128 HydrophobicContact CG-CD1 3.43Å; E91-L128 VanDerWaalsContact CG-CD1 3.43Å; E91-L128 HydrophobicContact CG-CD2 4.49Å; E91-L128 WeakPolarHBondContact OE1-CD1 3.38Å; E124-L128 WeakPolarHBondContact O-CB 3.41Å; E124-L128 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 2.94Å; V126-L128 PolarHBondContact O-N 2.78Å; L128-I130 PolarHBondContact O-N 3Å; L128-G131 PolarHBondContact O-N 3.1Å; L128-G131 VanDerWaalsContact O-N 3.17Å; L128-V132 HydrophobicContact CD2-CG2 4.16Å; L128-V132 HydrophobicContact CG-CG2 4.48Å; L128-V132 WeakPolarHBondContact O-CB 3.5Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.35Å
129A56.8Low50.7Low11 Ų1171.5 Ų71.59%0.09138%0.375CS..Hα-helixtrans-58.8-33.4169.800000112.4L9 V77 L125 V126L9-A129 HydrophobicContact CD1-CB 3.63Å; V77-A129 HydrophobicContact CG1-CB 4.17Å; L125-A129 WeakPolarHBondContact O-CB 3.45Å; L125-A129 PolarHBondContact O-N 2.89Å; V126-A129 PolarHBondContact O-N 3.38Å
130I54.8Low50.7Low22 Ų2267.9 Ų67.911%0.11336%0.356CS..Hα-helixtrans-72.1-44.9173.5-68.1166.4000111.5S5 L9 V126 Q127 L128 T133S5-I130 WeakPolarHBondContact O-CD1 3.32Å; L9-I130 HydrophobicContact CB-CD1 4.4Å; L9-I130 HydrophobicContact CB-CG1 4.05Å; L9-I130 HydrophobicContact CD1-CG1 4.1Å; V126-I130 HydrophobicContact CG1-CD1 3.83Å; V126-I130 WeakPolarHBondContact O-CB 3.33Å; V126-I130 WeakPolarHBondContact O-CG1 3.35Å; V126-I130 PolarHBondContact O-N 3.42Å; Q127-I130 PolarHBondContact O-N 3.32Å; L128-I130 PolarHBondContact O-N 3Å; I130-T133 PolarHBondContact O-N 3.25Å; I130-T133 PolarHBondContact O-OG1 3.21Å
131G47.4Very low50.6Low42 Ų4268.6 Ų68.643%0.43336%0.359SS..Hα-helixtrans-70.1-29.2-177.100000114.4Q127 L128 T133 E134Q127-G131 PolarHBondContact O-N 3.47Å; L128-G131 PolarHBondContact O-N 3.1Å; L128-G131 VanDerWaalsContact O-N 3.17Å; G131-T133 PolarHBondContact O-N 2.98Å; G131-E134 PolarHBondContact O-N 3.04Å
132V50.3Low50.6Low52 Ų5265 Ų6532%0.31535%0.348SS..G310 helixtrans-67.2-20.1174170.70000112.1W88 L128W88-V132 HydrophobicContact CH2-CG2 4.23Å; W88-V132 HydrophobicContact CZ2-CG1 4.35Å; W88-V132 HydrophobicContact CZ2-CG2 3.76Å; L128-V132 HydrophobicContact CD2-CG2 4.16Å; L128-V132 HydrophobicContact CG-CG2 4.48Å; L128-V132 WeakPolarHBondContact O-CB 3.5Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.35Å
133T42.5Very low50.7Low57 Ų5768.6 Ų68.635%0.3536%0.363SS..G310 helixtrans-92.510.8178.563.30000114.6K12 I130 G131K12-T133 WeakPolarHBondContact CD-OG1 3.26Å; K12-T133 PolarHBondContact NZ-OG1 3.05Å; I130-T133 PolarHBondContact O-N 3.25Å; I130-T133 PolarHBondContact O-OG1 3.21Å; G131-T133 PolarHBondContact O-N 2.98Å
134E41.3Very low50.8Low156 Ų15669.9 Ų69.973%0.72937%0.369SS*.G310 helixtrans-103.59178.2-68.3-166.9160.600114.9G131G131-E134 PolarHBondContact O-N 3.04Å
135E38.1Very low50.2Low255 Ų25570.2 Ų70.2100%1.19238%0.375SS*.  trans-102.60166.8-72.6-168.1158.900112.5

Retrieved 135 of 135 residues in 317.8 ms (Link to these results)

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