A0A087YFE9_POEFO Loading...

DnaJ heat shock protein family (Hsp40) member B5

AlphaFold DB , UniProt , Accession A0A087YFE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M52.9Low81.5Confident240 Ų24061.5 Ų61.5100%1.18234%0.339SS*.  0122.80-81.7-177.617400106.7
2G66.9Low82.1Confident38 Ų3863.8 Ų63.839%0.39236%0.359SS..  trans-62.9150.5177.600000112.2E69G2-E69 WeakPolarHBondContact CA-OE2 3.4Å
3K77.6Confident82.3Confident70 Ų7070.5 Ų70.530%0.30438%0.382SS..  trans-60.6133.5174.9-65.2-178.3-175.2-174.50110Y5 E50 Y64 E69K3-Y5 HydrophobicContact CB-CD1 4.4Å; K3-Y5 HydrophobicContact CB-CE1 4.08Å; K3-Y5 HydrophobicContact CD-CE1 4.26Å; K3-E50 IonicContact NZ-OE2 3.98Å; K3-E50 PolarHBondContact NZ-OE2 2.94Å; K3-Y64 PolarHBondContact O-OH 2.74Å; K3-E69 WeakPolarHBondContact CG-OE2 3.48Å; K3-E69 PolarHBondContact N-OE2 2.92Å
4D86.5Confident82.2Confident49 Ų4969.9 Ų69.926%0.26240%0.4SS..  trans-92.695.7172.5-165-40.4000109.7Y6 K7 T8 K13 Y64D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.1Å; D4-Y6 WeakPolarHBondContact OD1-CB 3Å; D4-Y6 PolarHBondContact OD1-N 3.41Å; D4-K7 HydrophobicContact CB-CB 3.81Å; D4-K7 WeakPolarHBondContact O-CB 3.32Å; D4-K7 PolarHBondContact O-N 3.26Å; D4-K7 VanDerWaalsContact O-N 3.08Å; D4-K7 PolarHBondContact OD1-N 3.31Å; D4-K7 VanDerWaalsContact OD1-N 3.14Å; D4-T8 PolarHBondContact O-N 3.26Å; D4-T8 PolarHBondContact O-OG1 3.17Å; D4-T8 VanDerWaalsContact O-OG1 3.08Å; D4-K13 WeakPolarHBondContact OD2-CE 3.34Å; D4-K13 IonicContact OD2-NZ 2.89Å; D4-K13 PolarHBondContact OD2-NZ 2.82Å; D4-Y64 VanDerWaalsContact CA-OH 3.23Å; D4-Y64 WeakPolarHBondContact CA-OH 3.01Å
5Y87.4Confident82.5Confident3 Ų365.4 Ų65.41%0.01238%0.375CS..Hα-helixtrans-63.8-29.1-176.3-67.1-40.7000112.9K3 T8 L9 E50 A51 V54 Y64K3-Y5 HydrophobicContact CB-CD1 4.4Å; K3-Y5 HydrophobicContact CB-CE1 4.08Å; K3-Y5 HydrophobicContact CD-CE1 4.26Å; Y5-T8 PolarHBondContact O-N 3.06Å; Y5-L9 PolarHBondContact O-N 3.27Å; Y5-L9 VanDerWaalsContact O-N 3.12Å; Y5-E50 HydrophobicContact CE1-CG 3.91Å; Y5-E50 PolarHBondContact OH-OE1 2.66Å; Y5-A51 HydrophobicContact CD1-CB 3.63Å; Y5-A51 HydrophobicContact CG-CB 3.97Å; Y5-V54 HydrophobicContact CD2-CB 4.02Å; Y5-V54 HydrophobicContact CD2-CG1 3.89Å; Y5-V54 HydrophobicContact CD2-CG2 4.39Å; Y5-V54 HydrophobicContact CE2-CB 3.93Å; Y5-V54 HydrophobicContact CE2-CG1 3.87Å; Y5-V54 HydrophobicContact CE2-CG2 3.81Å; Y5-Y64 HydrophobicContact CD2-CD1 4.18Å; Y5-Y64 AromaticContact CD2-CD2 3.5Å; Y5-Y64 HydrophobicContact CD2-CD2 3.5Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.5Å; Y5-Y64 AromaticContact CD2-CE1 3.88Å; Y5-Y64 HydrophobicContact CD2-CE1 3.88Å; Y5-Y64 AromaticContact CD2-CE2 3.15Å; Y5-Y64 HydrophobicContact CD2-CE2 3.15Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.37Å; Y5-Y64 AromaticContact CE2-CD2 3.63Å; Y5-Y64 HydrophobicContact CE2-CD2 3.63Å; Y5-Y64 AromaticContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CE2 3.45Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CG 4.44Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.03Å; Y5-Y64 AromaticContact CG-CZ 3.86Å; Y5-Y64 PolarHBondContact N-OH 3.13Å
6Y87.6Confident82.8Confident2 Ų266.2 Ų66.21%0.00838%0.378CS..Hα-helixtrans-67.4-43173.1-68.8-79.9000110.6D4 L9 G10 I11 P12 K13 L55 R61 Y64 D65D4-Y6 VanDerWaalsContact C-N 3.25Å; D4-Y6 PolarHBondContact O-N 3.1Å; D4-Y6 WeakPolarHBondContact OD1-CB 3Å; D4-Y6 PolarHBondContact OD1-N 3.41Å; Y6-L9 PolarHBondContact O-N 2.93Å; Y6-G10 PolarHBondContact O-N 2.96Å; Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 WeakPolarHBondContact CB-O 3.32Å; Y6-I11 HydrophobicContact CD1-CD1 4.04Å; Y6-I11 HydrophobicContact CD1-CG1 4.05Å; Y6-I11 PolarHBondContact O-N 3.3Å; Y6-I11 VanDerWaalsContact O-O 3.1Å; Y6-P12 WeakPolarHBondContact CD1-O 3.4Å; Y6-K13 HydrophobicContact CD2-CB 4.44Å; Y6-K13 HydrophobicContact CD2-CD 4.43Å; Y6-K13 HydrophobicContact CD2-CG 3.74Å; Y6-K13 HydrophobicContact CE2-CG 4.32Å; Y6-K13 HydrophobicContact CG-CB 4.49Å; Y6-K13 HydrophobicContact CG-CG 3.9Å; Y6-L55 HydrophobicContact CD1-CD1 4.17Å; Y6-L55 HydrophobicContact CD2-CD2 4.4Å; Y6-L55 HydrophobicContact CE1-CD1 4.18Å; Y6-L55 HydrophobicContact CE1-CD2 4.05Å; Y6-L55 HydrophobicContact CE2-CD2 3.76Å; Y6-L55 HydrophobicContact CG-CD1 4.39Å; Y6-R61 PolarHBondContact OH-NE 2.93Å; Y6-R61 VanDerWaalsContact OH-NE 3.07Å; Y6-Y64 AromaticContact CD2-CE1 3.93Å; Y6-Y64 HydrophobicContact CD2-CE1 3.93Å; Y6-Y64 HydrophobicContact CE2-CD1 4.09Å; Y6-Y64 AromaticContact CE2-CE1 3.81Å; Y6-Y64 HydrophobicContact CE2-CE1 3.81Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.28Å; Y6-D65 PolarHBondContact OH-OD1 3.24Å; Y6-D65 VanDerWaalsContact OH-OD1 3.06Å; Y6-D65 PolarHBondContact OH-OD2 2.91Å
7K87.7Confident82.9Confident170 Ų17067.8 Ų67.874%0.73938%0.381SS*.Hα-helixtrans-65.6-38.4174.7-165177.2-179.2179.70112.2D4 L9 G10D4-K7 HydrophobicContact CB-CB 3.81Å; D4-K7 WeakPolarHBondContact O-CB 3.32Å; D4-K7 PolarHBondContact O-N 3.26Å; D4-K7 VanDerWaalsContact O-N 3.08Å; D4-K7 PolarHBondContact OD1-N 3.31Å; D4-K7 VanDerWaalsContact OD1-N 3.14Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-L9 PolarHBondContact O-N 2.9Å; K7-G10 PolarHBondContact O-N 2.84Å; K7-G10 VanDerWaalsContact O-N 3.11Å
8T86.8Confident82.9Confident30 Ų3070.6 Ų70.618%0.18440%0.395CS..Hα-helixtrans-61.8-40176.6-57.40000112.2D4 Y5 G10 M27 E47 I48 A51D4-T8 PolarHBondContact O-N 3.26Å; D4-T8 PolarHBondContact O-OG1 3.17Å; D4-T8 VanDerWaalsContact O-OG1 3.08Å; Y5-T8 PolarHBondContact O-N 3.06Å; T8-G10 VanDerWaalsContact C-N 3.33Å; T8-M27 WeakPolarHBondContact O-CE 3.43Å; T8-E47 HydrophobicContact CG2-CB 3.91Å; T8-I48 HydrophobicContact CG2-CG1 4.28Å; T8-A51 HydrophobicContact CG2-CB 4.22Å
9L86.4Confident83Confident0 Ų071.3 Ų71.30%040%0.395CS..Hα-helixtrans-82.1-11.2174.8-67.1-177.4000113.5Y5 Y6 K7 I11 I20 A23 I48 A51 L55Y5-L9 PolarHBondContact O-N 3.27Å; Y5-L9 VanDerWaalsContact O-N 3.12Å; Y6-L9 PolarHBondContact O-N 2.93Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-L9 PolarHBondContact O-N 2.9Å; L9-I11 HydrophobicContact CB-CD1 4.09Å; L9-I11 HydrophobicContact CB-CG1 3.92Å; L9-I11 HydrophobicContact CD1-CD1 4.2Å; L9-I20 HydrophobicContact CD1-CG2 4.09Å; L9-A23 HydrophobicContact CB-CB 4.16Å; L9-I48 HydrophobicContact CD2-CG2 4.01Å; L9-A51 HydrophobicContact CD1-CB 4.24Å; L9-A51 HydrophobicContact CD2-CB 4.16Å; L9-A51 HydrophobicContact CG-CB 3.86Å; L9-L55 HydrophobicContact CD1-CD1 3.86Å
10G86.5Confident83.3Confident51 Ų5167.7 Ų67.753%0.52638%0.375SS..THydrogen-bonded Turntrans7040.5-17900000112.9Y6 K7 T8Y6-G10 PolarHBondContact O-N 2.96Å; K7-G10 PolarHBondContact O-N 2.84Å; K7-G10 VanDerWaalsContact O-N 3.11Å; T8-G10 VanDerWaalsContact C-N 3.33Å
11I90.3Very high83.5Confident23 Ų2367.6 Ų67.612%0.11837%0.371CS..  trans-127.7154.3-179.955173.1000110.9Y6 L9 I20 A23Y6-I11 CarbonylContact C-O 3.58Å; Y6-I11 WeakPolarHBondContact CB-O 3.32Å; Y6-I11 HydrophobicContact CD1-CD1 4.04Å; Y6-I11 HydrophobicContact CD1-CG1 4.05Å; Y6-I11 PolarHBondContact O-N 3.3Å; Y6-I11 VanDerWaalsContact O-O 3.1Å; L9-I11 HydrophobicContact CB-CD1 4.09Å; L9-I11 HydrophobicContact CB-CG1 3.92Å; L9-I11 HydrophobicContact CD1-CD1 4.2Å; I11-I20 HydrophobicContact CD1-CB 4.35Å; I11-I20 HydrophobicContact CD1-CG1 3.55Å; I11-A23 HydrophobicContact CG2-CB 3.45Å; I11-A23 VanDerWaalsContact CG2-CB 3.45Å
12P88.9Confident85.1Confident90 Ų9063.3 Ų63.358%0.58435%0.345SS*.  trans-71.9153.9175.629.3-34.6000112.6Y6 G14 S15Y6-P12 WeakPolarHBondContact CD1-O 3.4Å; P12-G14 PolarHBondContact O-N 3.38Å; P12-S15 WeakPolarHBondContact CD-OG 3.42Å; P12-S15 PolarHBondContact O-N 3.07Å; P12-S15 PolarHBondContact O-OG 3.23Å
13K83.9Confident86.1Confident150 Ų15061.7 Ų61.765%0.65233%0.328SS*.THydrogen-bonded Turntrans-63.2128.7169.9-62.4-171.1178.4-178.50108.6D4 Y6D4-K13 WeakPolarHBondContact OD2-CE 3.34Å; D4-K13 IonicContact OD2-NZ 2.89Å; D4-K13 PolarHBondContact OD2-NZ 2.82Å; Y6-K13 HydrophobicContact CD2-CB 4.44Å; Y6-K13 HydrophobicContact CD2-CD 4.43Å; Y6-K13 HydrophobicContact CD2-CG 3.74Å; Y6-K13 HydrophobicContact CE2-CG 4.32Å; Y6-K13 HydrophobicContact CG-CB 4.49Å; Y6-K13 HydrophobicContact CG-CG 3.9Å
14G81.2Confident86.6Confident62 Ų6258.3 Ų58.364%0.63931%0.314SS*.THydrogen-bonded Turntrans99.1-1-174.200000115.4P12P12-G14 PolarHBondContact O-N 3.38Å
15S87.2Confident86.6Confident3 Ų362.8 Ų62.82%0.02133%0.327CS..  trans-51.9143.4172.7-86.70000113.3P12 E19 R61P12-S15 WeakPolarHBondContact CD-OG 3.42Å; P12-S15 PolarHBondContact O-N 3.07Å; P12-S15 PolarHBondContact O-OG 3.23Å; S15-E19 VanDerWaalsContact CA-OE2 3.27Å; S15-E19 WeakPolarHBondContact CA-OE2 3.45Å; S15-E19 WeakPolarHBondContact CB-OE2 3.27Å; S15-E19 PolarHBondContact OG-OE2 3.16Å; S15-R61 VanDerWaalsContact O-CZ 3.28Å; S15-R61 PolarHBondContact O-NH1 2.83Å; S15-R61 PolarHBondContact O-NH2 3.37Å
16N87.3Confident86.6Confident78 Ų7869.9 Ų69.942%0.41735%0.354SS..  trans-73168.4176.967.235.3000111.5D18 E19 I20N16-D18 VanDerWaalsContact C-N 3.26Å; N16-D18 PolarHBondContact O-N 2.85Å; N16-D18 PolarHBondContact OD1-N 3.23Å; N16-E19 PolarHBondContact ND2-OE1 3.43Å; N16-E19 PolarHBondContact O-N 2.93Å; N16-E19 WeakPolarHBondContact OD1-CB 3.48Å; N16-E19 VanDerWaalsContact OD1-CG 3.26Å; N16-E19 WeakPolarHBondContact OD1-CG 3.46Å; N16-E19 PolarHBondContact OD1-N 2.97Å; N16-I20 WeakPolarHBondContact O-CG1 3.46Å; N16-I20 PolarHBondContact O-N 3.39Å; N16-I20 VanDerWaalsContact O-N 3.15Å
17E84.1Confident86.5Confident93 Ų9370.8 Ų70.844%0.43536%0.358SS..Hα-helixtrans-61.1-34.6-177.2-163.8-172.7150.500112.6I20 K21E17-I20 PolarHBondContact O-N 3.42Å; E17-K21 WeakPolarHBondContact O-CG 3.45Å; E17-K21 PolarHBondContact O-N 3.17Å; E17-K21 WeakPolarHBondContact OE1-CE 3.26Å; E17-K21 IonicContact OE1-NZ 3.36Å; E17-K21 PolarHBondContact OE1-NZ 2.6Å
18D82.4Confident86.4Confident118 Ų11862.7 Ų62.763%0.63132%0.323SS*.Hα-helixtrans-70-37.2179.5-70.2-32.2000112.4N16 K21 K22N16-D18 VanDerWaalsContact C-N 3.26Å; N16-D18 PolarHBondContact O-N 2.85Å; N16-D18 PolarHBondContact OD1-N 3.23Å; D18-K21 PolarHBondContact O-N 3.42Å; D18-K22 VanDerWaalsContact O-CB 3.25Å; D18-K22 WeakPolarHBondContact O-CB 3.2Å; D18-K22 PolarHBondContact O-N 2.89Å
19E85.1Confident86.2Confident84 Ų8463.7 Ų63.739%0.39333%0.327SS..Hα-helixtrans-64.8-41.6173.1-77.3169.6-162.300111.3S15 N16 K22 A23S15-E19 VanDerWaalsContact CA-OE2 3.27Å; S15-E19 WeakPolarHBondContact CA-OE2 3.45Å; S15-E19 WeakPolarHBondContact CB-OE2 3.27Å; S15-E19 PolarHBondContact OG-OE2 3.16Å; N16-E19 PolarHBondContact ND2-OE1 3.43Å; N16-E19 PolarHBondContact O-N 2.93Å; N16-E19 WeakPolarHBondContact OD1-CB 3.48Å; N16-E19 VanDerWaalsContact OD1-CG 3.26Å; N16-E19 WeakPolarHBondContact OD1-CG 3.46Å; N16-E19 PolarHBondContact OD1-N 2.97Å; E19-K22 PolarHBondContact O-N 3.42Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.01Å
20I88.4Confident86Confident0 Ų070.5 Ų70.50%035%0.352CS..Hα-helixtrans-62.3-46.8175.3-66.8161.7000110.3L9 I11 N16 E17 K22 A23 Y24 Y52 L55 R61L9-I20 HydrophobicContact CD1-CG2 4.09Å; I11-I20 HydrophobicContact CD1-CB 4.35Å; I11-I20 HydrophobicContact CD1-CG1 3.55Å; N16-I20 WeakPolarHBondContact O-CG1 3.46Å; N16-I20 PolarHBondContact O-N 3.39Å; N16-I20 VanDerWaalsContact O-N 3.15Å; E17-I20 PolarHBondContact O-N 3.42Å; I20-K22 PolarHBondContact O-N 2.92Å; I20-A23 PolarHBondContact O-N 3.43Å; I20-Y24 WeakPolarHBondContact O-CB 3.42Å; I20-Y24 PolarHBondContact O-N 3.37Å; I20-Y52 HydrophobicContact CG2-CD2 3.94Å; I20-Y52 HydrophobicContact CG2-CE2 4.24Å; I20-L55 HydrophobicContact CD1-CB 4.21Å; I20-L55 HydrophobicContact CG2-CB 3.95Å; I20-R61 VanDerWaalsContact CD1-NH1 3.28Å
21K87.4Confident85.9Confident66 Ų6668.8 Ų68.829%0.28733%0.331SS..Hα-helixtrans-61.8-43.2175.8-73.6173.4-177.61650112.4E17 D18 R25 Y52 F103E17-K21 WeakPolarHBondContact O-CG 3.45Å; E17-K21 PolarHBondContact O-N 3.17Å; E17-K21 WeakPolarHBondContact OE1-CE 3.26Å; E17-K21 IonicContact OE1-NZ 3.36Å; E17-K21 PolarHBondContact OE1-NZ 2.6Å; D18-K21 PolarHBondContact O-N 3.42Å; K21-R25 WeakPolarHBondContact O-CB 3.23Å; K21-R25 PolarHBondContact O-N 3.31Å; K21-Y52 HydrophobicContact CG-CE2 3.92Å; K21-F103 HydrophobicContact CB-CE2 4.26Å; K21-F103 HydrophobicContact CB-CZ 4.41Å; K21-F103 HydrophobicContact CG-CE2 4.24Å; K21-F103 WeakPolarHBondContact O-CZ 3.3Å
22K86.6Confident85.6Confident149 Ų14968.1 Ų68.165%0.64833%0.327SS*.Hα-helixtrans-65.9-41.6179.1-172.8178.6-179.3-177.20111.4D18 E19 I20 R25 R26D18-K22 VanDerWaalsContact O-CB 3.25Å; D18-K22 WeakPolarHBondContact O-CB 3.2Å; D18-K22 PolarHBondContact O-N 2.89Å; E19-K22 PolarHBondContact O-N 3.42Å; I20-K22 PolarHBondContact O-N 2.92Å; K22-R25 PolarHBondContact O-N 3.23Å; K22-R26 PolarHBondContact O-N 2.94Å; K22-R26 VanDerWaalsContact O-N 3.11Å
23A87.9Confident85.1Confident4 Ų466 Ų663%0.03331%0.313CS..Hα-helixtrans-66.1-46.4177.800000112L9 I11 E19 I20 R25 R26 M27L9-A23 HydrophobicContact CB-CB 4.16Å; I11-A23 HydrophobicContact CG2-CB 3.45Å; I11-A23 VanDerWaalsContact CG2-CB 3.45Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.01Å; I20-A23 PolarHBondContact O-N 3.43Å; A23-R25 PolarHBondContact O-N 3.04Å; A23-R26 PolarHBondContact O-N 3.23Å; A23-M27 WeakPolarHBondContact O-CB 3.27Å; A23-M27 WeakPolarHBondContact O-CG 3.26Å; A23-M27 PolarHBondContact O-N 3.32Å
24Y89.3Confident84.7Confident0 Ų065.5 Ų65.50%032%0.318CS..Hα-helixtrans-57.7-48.6174.1175.5-109000111.5I20 R26 M27 A28 I48 Y52 F100 F103I20-Y24 WeakPolarHBondContact O-CB 3.42Å; I20-Y24 PolarHBondContact O-N 3.37Å; Y24-R26 VanDerWaalsContact C-N 3.3Å; Y24-R26 PolarHBondContact O-N 3.11Å; Y24-M27 PolarHBondContact O-N 3.27Å; Y24-A28 HydrophobicContact CD2-CB 4.43Å; Y24-A28 HydrophobicContact CE1-CB 4.47Å; Y24-A28 HydrophobicContact CE2-CB 4.14Å; Y24-A28 WeakPolarHBondContact O-CB 3.32Å; Y24-A28 PolarHBondContact O-N 3.49Å; Y24-I48 HydrophobicContact CD2-CG2 3.58Å; Y24-I48 HydrophobicContact CE2-CG2 3.84Å; Y24-Y52 AromaticContact CD1-CD1 3.88Å; Y24-Y52 HydrophobicContact CD1-CD1 3.88Å; Y24-Y52 AromaticContact CD1-CD2 3.92Å; Y24-Y52 HydrophobicContact CD1-CD2 3.92Å; Y24-Y52 HydrophobicContact CD1-CE1 4.16Å; Y24-Y52 HydrophobicContact CD1-CE2 4.19Å; Y24-Y52 AromaticContact CD1-CG 3.75Å; Y24-Y52 HydrophobicContact CD1-CG 3.75Å; Y24-Y52 HydrophobicContact CD2-CD1 4.22Å; Y24-Y52 HydrophobicContact CD2-CD2 4.16Å; Y24-Y52 AromaticContact CD2-CG 3.63Å; Y24-Y52 HydrophobicContact CD2-CG 3.63Å; Y24-Y52 AromaticContact CE1-CD1 3.92Å; Y24-Y52 HydrophobicContact CE1-CD1 3.92Å; Y24-Y52 HydrophobicContact CE1-CE1 4.26Å; Y24-Y52 HydrophobicContact CE1-CG 4.2Å; Y24-Y52 HydrophobicContact CE2-CD1 4.27Å; Y24-Y52 HydrophobicContact CE2-CG 4.09Å; Y24-Y52 HydrophobicContact CG-CD1 4.01Å; Y24-Y52 AromaticContact CG-CD2 3.55Å; Y24-Y52 HydrophobicContact CG-CD2 3.55Å; Y24-Y52 HydrophobicContact CG-CE2 4.24Å; Y24-Y52 AromaticContact CG-CG 3.42Å; Y24-Y52 HydrophobicContact CG-CG 3.42Å; Y24-Y52 VanDerWaalsContact CG-CG 3.42Å; Y24-F100 PolarHBondContact OH-N 2.76Å; Y24-F103 AromaticContact CD1-CD1 3.92Å; Y24-F103 HydrophobicContact CD1-CD1 3.92Å; Y24-F103 AromaticContact CD1-CD2 3.63Å; Y24-F103 HydrophobicContact CD1-CD2 3.63Å; Y24-F103 AromaticContact CD1-CE1 3.93Å; Y24-F103 HydrophobicContact CD1-CE1 3.93Å; Y24-F103 AromaticContact CD1-CE2 3.64Å; Y24-F103 HydrophobicContact CD1-CE2 3.64Å; Y24-F103 AromaticContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CG 3.77Å; Y24-F103 AromaticContact CD1-CZ 3.79Å; Y24-F103 HydrophobicContact CD1-CZ 3.79Å; Y24-F103 HydrophobicContact CE1-CB 3.75Å; Y24-F103 AromaticContact CE1-CD1 3.77Å; Y24-F103 HydrophobicContact CE1-CD1 3.77Å; Y24-F103 AromaticContact CE1-CD2 3.71Å; Y24-F103 HydrophobicContact CE1-CD2 3.71Å; Y24-F103 HydrophobicContact CE1-CE1 4.26Å; Y24-F103 HydrophobicContact CE1-CE2 4.21Å; Y24-F103 AromaticContact CE1-CG 3.46Å; Y24-F103 HydrophobicContact CE1-CG 3.46Å; Y24-F103 VanDerWaalsContact CE1-CG 3.46Å; Y24-F103 HydrophobicContact CE1-CZ 4.46Å
25R87Confident84.2Confident142 Ų14267.5 Ų67.554%0.53631%0.309SS..Hα-helixtrans-53.4-46.9176.7-174.9-177.5-64.1-176.20.4112.3K21 K22 A23 L29 F103 F104K21-R25 WeakPolarHBondContact O-CB 3.23Å; K21-R25 PolarHBondContact O-N 3.31Å; K22-R25 PolarHBondContact O-N 3.23Å; A23-R25 PolarHBondContact O-N 3.04Å; R25-L29 HydrophobicContact CG-CD1 4.28Å; R25-L29 WeakPolarHBondContact O-CD1 3.22Å; R25-L29 VanDerWaalsContact O-CG 3.27Å; R25-L29 WeakPolarHBondContact O-CG 2.89Å; R25-L29 PolarHBondContact O-N 2.83Å; R25-F103 HydrophobicContact CB-CE1 3.87Å; R25-F103 HydrophobicContact CB-CZ 4.07Å; R25-F103 HydrophobicContact CG-CE1 4.23Å; R25-F104 HydrophobicContact CB-CZ 4.43Å; R25-F104 HydrophobicContact CG-CE1 3.91Å; R25-F104 HydrophobicContact CG-CZ 3.84Å
26R85.8Confident83.7Confident153 Ų15368.9 Ų68.958%0.57732%0.316SS*.Hα-helixtrans-65.3-45-179.4-179.6177.262.6-172.4-1.8111.9K22 A23 Y24 R30K22-R26 PolarHBondContact O-N 2.94Å; K22-R26 VanDerWaalsContact O-N 3.11Å; A23-R26 PolarHBondContact O-N 3.23Å; Y24-R26 VanDerWaalsContact C-N 3.3Å; Y24-R26 PolarHBondContact O-N 3.11Å; R26-R30 WeakPolarHBondContact O-CB 3.4Å; R26-R30 PolarHBondContact O-N 2.75Å
27M85.8Confident83.1Confident21 Ų2172 Ų7210%0.10334%0.338CS..Hα-helixtrans-76.4-40.2-174.6-68.3-65.7-8000112.1T8 A23 Y24 L29 R30 F31 I48T8-M27 WeakPolarHBondContact O-CE 3.43Å; A23-M27 WeakPolarHBondContact O-CB 3.27Å; A23-M27 WeakPolarHBondContact O-CG 3.26Å; A23-M27 PolarHBondContact O-N 3.32Å; Y24-M27 PolarHBondContact O-N 3.27Å; M27-L29 VanDerWaalsContact C-N 3.33Å; M27-L29 PolarHBondContact O-N 3.44Å; M27-R30 PolarHBondContact O-N 2.95Å; M27-R30 VanDerWaalsContact O-N 3.09Å; M27-F31 HydrophobicContact CE-CD2 4.3Å; M27-F31 HydrophobicContact CE-CE2 3.73Å; M27-F31 PolarHBondContact O-N 2.9Å; M27-F31 HydrophobicContact SD-CE2 4.31Å; M27-I48 HydrophobicContact CB-CD1 3.76Å; M27-I48 HydrophobicContact CB-CG1 4.04Å; M27-I48 HydrophobicContact CB-CG2 3.86Å; M27-I48 HydrophobicContact CE-CD1 4.22Å
28A85.4Confident82.8Confident0 Ų072.3 Ų72.30%034%0.343CS..Hα-helixtrans-61.8-38.5176.500000112.2Y24 R30 H32 F45 I48 F100 F104Y24-A28 HydrophobicContact CD2-CB 4.43Å; Y24-A28 HydrophobicContact CE1-CB 4.47Å; Y24-A28 HydrophobicContact CE2-CB 4.14Å; Y24-A28 WeakPolarHBondContact O-CB 3.32Å; Y24-A28 PolarHBondContact O-N 3.49Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-H32 WeakPolarHBondContact O-CB 3.45Å; A28-H32 PolarHBondContact O-N 3.15Å; A28-F45 HydrophobicContact CB-CE2 4.12Å; A28-I48 HydrophobicContact CB-CG2 4.5Å; A28-F100 HydrophobicContact CB-CD2 4.06Å; A28-F100 HydrophobicContact CB-CE2 4.17Å; A28-F104 HydrophobicContact CB-CE2 4.45Å
29L83.8Confident82.5Confident50 Ų5072.2 Ų72.226%0.26235%0.348SS..Hα-helixtrans-72.5-25.8174.7-69.8172.6000113.4R25 M27 F100 F104 P109 F110R25-L29 HydrophobicContact CG-CD1 4.28Å; R25-L29 WeakPolarHBondContact O-CD1 3.22Å; R25-L29 VanDerWaalsContact O-CG 3.27Å; R25-L29 WeakPolarHBondContact O-CG 2.89Å; R25-L29 PolarHBondContact O-N 2.83Å; M27-L29 VanDerWaalsContact C-N 3.33Å; M27-L29 PolarHBondContact O-N 3.44Å; L29-F100 HydrophobicContact CD2-CZ 4.48Å; L29-F104 HydrophobicContact CD2-CZ 4.33Å; L29-F104 HydrophobicContact CG-CZ 4.18Å; L29-P109 HydrophobicContact CD2-CB 4.19Å; L29-P109 HydrophobicContact CD2-CG 3.82Å; L29-F110 HydrophobicContact CD2-CD1 4.29Å; L29-F110 HydrophobicContact CD2-CE1 3.72Å; L29-F110 HydrophobicContact CD2-CZ 3.84Å
30R82.2Confident82.1Confident143 Ų14372.6 Ų72.654%0.5435%0.353SS..Hα-helixtrans-80-34.8-179.1-168.3173.683.6172.53.2112.7R26 M27 A28R26-R30 WeakPolarHBondContact O-CB 3.4Å; R26-R30 PolarHBondContact O-N 2.75Å; M27-R30 PolarHBondContact O-N 2.95Å; M27-R30 VanDerWaalsContact O-N 3.09Å; A28-R30 VanDerWaalsContact C-N 3.34Å
31F83.4Confident81.6Confident16 Ų1672.7 Ų72.77%0.0735%0.354CS..SBendtrans-110.413.1-176.2-67.6-74000113.7M27 A41 K44 F45 I48M27-F31 HydrophobicContact CE-CD2 4.3Å; M27-F31 HydrophobicContact CE-CE2 3.73Å; M27-F31 PolarHBondContact O-N 2.9Å; M27-F31 HydrophobicContact SD-CE2 4.31Å; F31-A41 HydrophobicContact CD1-CB 4.36Å; F31-K44 HydrophobicContact CB-CB 4.43Å; F31-K44 HydrophobicContact CD1-CB 4.03Å; F31-K44 HydrophobicContact CD1-CD 3.84Å; F31-K44 HydrophobicContact CE1-CB 4.41Å; F31-K44 HydrophobicContact CE1-CD 3.43Å; F31-K44 VanDerWaalsContact CE1-CD 3.43Å; F31-K44 HydrophobicContact CE2-CD 4.48Å; F31-K44 HydrophobicContact CG-CB 4.08Å; F31-K44 HydrophobicContact CZ-CD 3.78Å; F31-F45 HydrophobicContact CB-CB 4.43Å; F31-I48 HydrophobicContact CB-CD1 4.07Å; F31-I48 HydrophobicContact CD2-CD1 3.46Å; F31-I48 VanDerWaalsContact CD2-CD1 3.46Å; F31-I48 HydrophobicContact CE2-CD1 4.23Å; F31-I48 HydrophobicContact CG-CD1 4.09Å
32H84Confident81.2Confident9 Ų976 Ų764%0.04237%0.37CS..  trans-61.3131.5177-164-86000111A28 D34 K35 N36 F45 F100 F110A28-H32 WeakPolarHBondContact O-CB 3.45Å; A28-H32 PolarHBondContact O-N 3.15Å; H32-D34 IonicContact CE1-OD2 2.74Å; H32-D34 PolarHBondContact CE1-OD2 2.89Å; H32-D34 VanDerWaalsContact CE1-OD2 3.32Å; H32-D34 WeakPolarHBondContact ND1-CB 3.32Å; H32-D34 PolarHBondContact ND1-N 3.32Å; H32-D34 IonicContact ND1-OD2 3.69Å; H32-D34 PolarHBondContact O-N 2.64Å; H32-K35 PolarHBondContact O-N 3.5Å; H32-N36 PolarHBondContact O-N 3.19Å; H32-F45 AromaticContact CD2-CZ 3.91Å; H32-F100 AromaticContact CD2-CE2 3.72Å; H32-F100 AromaticContact CD2-CZ 3.64Å; H32-F100 AromaticContact NE2-CE1 3.86Å; H32-F100 AromaticContact NE2-CZ 3.96Å; H32-F110 HydrophobicContact CB-CE2 4.48Å; H32-F110 HydrophobicContact CB-CZ 3.74Å; H32-F110 AromaticContact CG-CE2 3.99Å; H32-F110 AromaticContact CG-CZ 3.74Å
33P78.3Confident81Confident44 Ų4474.8 Ų74.829%0.28637%0.367SS..THydrogen-bonded Turntrans-59.7-30.8-174.318.1-29.1000113.8K35P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 3.12Å
34D75.5Confident80.7Confident140 Ų14079 Ų7975%0.74938%0.384SS*.THydrogen-bonded Turntrans-68.6-19.8176.7-66.6-13.7000114.7H32H32-D34 IonicContact CE1-OD2 2.74Å; H32-D34 PolarHBondContact CE1-OD2 2.89Å; H32-D34 VanDerWaalsContact CE1-OD2 3.32Å; H32-D34 WeakPolarHBondContact ND1-CB 3.32Å; H32-D34 PolarHBondContact ND1-N 3.32Å; H32-D34 IonicContact ND1-OD2 3.69Å; H32-D34 PolarHBondContact O-N 2.64Å
35K72.2Confident80.5Confident104 Ų10479 Ų7945%0.45239%0.385SS..THydrogen-bonded Turntrans-117.2-23.3-173.1-162.8-179.8176.2-162.80113.3H32 P33 F110H32-K35 PolarHBondContact O-N 3.5Å; P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 3.12Å; K35-F110 HydrophobicContact CB-CE1 4.49Å; K35-F110 HydrophobicContact CD-CD1 4.24Å; K35-F110 HydrophobicContact CD-CE1 3.91Å
36N76.8Confident80.5Confident32 Ų3277.7 Ų77.717%0.17138%0.383CS..  trans-112.6112.5178-169-14.4000110.3H32 D38 A41H32-N36 PolarHBondContact O-N 3.19Å; N36-D38 PolarHBondContact ND2-OD2 2.81Å; N36-D38 PolarHBondContact O-N 3.27Å; N36-D38 WeakPolarHBondContact OD1-CB 3.39Å; N36-D38 PolarHBondContact OD1-N 2.9Å; N36-D38 PolarHBondContact OD1-OD2 3.1Å; N36-D38 VanDerWaalsContact OD1-OD2 3.13Å; N36-A41 HydrophobicContact CB-CB 3.85Å
37T74.4Confident80.5Confident145 Ų14573.2 Ų73.289%0.8937%0.368SS*.  trans-81.93.2179.2-23.70000113.2
38D77.8Confident80.6Confident98 Ų9872.3 Ų72.352%0.52436%0.364SS..  trans-66.4134.5176.5-73.2-35000110.9N36 N40 A41N36-D38 PolarHBondContact ND2-OD2 2.81Å; N36-D38 PolarHBondContact O-N 3.27Å; N36-D38 WeakPolarHBondContact OD1-CB 3.39Å; N36-D38 PolarHBondContact OD1-N 2.9Å; N36-D38 PolarHBondContact OD1-OD2 3.1Å; N36-D38 VanDerWaalsContact OD1-OD2 3.13Å; D38-N40 PolarHBondContact O-N 3.46Å; D38-N40 VanDerWaalsContact O-N 3.11Å; D38-A41 HydrophobicContact CB-CB 4.2Å; D38-A41 VanDerWaalsContact O-CB 3.27Å; D38-A41 WeakPolarHBondContact O-CB 3.46Å; D38-A41 PolarHBondContact O-N 2.99Å
39P75.2Confident80.7Confident116 Ų11672.4 Ų72.475%0.75336%0.364SS*.THydrogen-bonded Turntrans-63.6-21.1-179.724.2-33000113.5
40N77.6Confident80.8Confident93 Ų9370.6 Ų70.650%0.49736%0.355SS..THydrogen-bonded Turntrans-963.1178.1-63.7-17.8000113D38 K44D38-N40 PolarHBondContact O-N 3.46Å; D38-N40 VanDerWaalsContact O-N 3.11Å; N40-K44 WeakPolarHBondContact O-CG 3.3Å; N40-K44 PolarHBondContact O-N 2.75Å
41A76.5Confident81.2Confident1 Ų163.8 Ų63.81%0.00833%0.329CS..Hα-helixtrans-70.8-39.4-178.800000112.1F31 N36 D38 K44 F45F31-A41 HydrophobicContact CD1-CB 4.36Å; N36-A41 HydrophobicContact CB-CB 3.85Å; D38-A41 HydrophobicContact CB-CB 4.2Å; D38-A41 VanDerWaalsContact O-CB 3.27Å; D38-A41 WeakPolarHBondContact O-CB 3.46Å; D38-A41 PolarHBondContact O-N 2.99Å; A41-K44 PolarHBondContact O-N 2.79Å; A41-F45 VanDerWaalsContact O-CB 3.31Å; A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 3.14Å
42E79.3Confident81.4Confident135 Ų13564.4 Ų64.463%0.63133%0.331SS*.Hα-helixtrans-64.1-43178.9-172.6177179.400111.9F45 K46E42-F45 PolarHBondContact O-N 2.83Å; E42-K46 PolarHBondContact O-N 3.03Å
43E82.5Confident81.5Confident124 Ų12465.9 Ų65.958%0.57934%0.338SS*.Hα-helixtrans-63.1-45176-171171.6-155.400111.2F45 K46 E47E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 3Å; E43-K46 WeakPolarHBondContact O-CB 3.38Å; E43-K46 PolarHBondContact O-N 3.24Å; E43-E47 WeakPolarHBondContact O-CG 3.39Å; E43-E47 PolarHBondContact O-N 2.97Å
44K82.2Confident81.9Confident92 Ų9263.8 Ų63.840%0.432%0.324SS..Hα-helixtrans-63.9-39.3175.1-73175.9-1771730112.3F31 N40 A41 K46 E47 I48F31-K44 HydrophobicContact CB-CB 4.43Å; F31-K44 HydrophobicContact CD1-CB 4.03Å; F31-K44 HydrophobicContact CD1-CD 3.84Å; F31-K44 HydrophobicContact CE1-CB 4.41Å; F31-K44 HydrophobicContact CE1-CD 3.43Å; F31-K44 VanDerWaalsContact CE1-CD 3.43Å; F31-K44 HydrophobicContact CE2-CD 4.48Å; F31-K44 HydrophobicContact CG-CB 4.08Å; F31-K44 HydrophobicContact CZ-CD 3.78Å; N40-K44 WeakPolarHBondContact O-CG 3.3Å; N40-K44 PolarHBondContact O-N 2.75Å; A41-K44 PolarHBondContact O-N 2.79Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 3.01Å; K44-E47 PolarHBondContact O-N 2.91Å; K44-I48 WeakPolarHBondContact O-CB 3.37Å; K44-I48 WeakPolarHBondContact O-CD1 3.34Å; K44-I48 WeakPolarHBondContact O-CG1 3.19Å; K44-I48 PolarHBondContact O-N 2.83Å
45F85.3Confident82.6Confident2 Ų257.3 Ų57.31%0.00929%0.29CS..Hα-helixtrans-62.6-41.4177.4-175.3-111.9000111.4A28 F31 H32 A41 E42 E43 I48 A49 P96 F100A28-F45 HydrophobicContact CB-CE2 4.12Å; F31-F45 HydrophobicContact CB-CB 4.43Å; H32-F45 AromaticContact CD2-CZ 3.91Å; A41-F45 VanDerWaalsContact O-CB 3.31Å; A41-F45 WeakPolarHBondContact O-CB 3.43Å; A41-F45 PolarHBondContact O-N 3.14Å; E42-F45 PolarHBondContact O-N 2.83Å; E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 3Å; F45-I48 PolarHBondContact O-N 2.81Å; F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.25Å; F45-P96 HydrophobicContact CD1-CB 3.61Å; F45-P96 HydrophobicContact CE1-CB 3.53Å; F45-F100 AromaticContact CE2-CD2 3.98Å; F45-F100 HydrophobicContact CE2-CD2 3.98Å; F45-F100 HydrophobicContact CZ-CB 3.96Å; F45-F100 AromaticContact CZ-CD2 3.89Å; F45-F100 HydrophobicContact CZ-CD2 3.89Å; F45-F100 HydrophobicContact CZ-CG 4.12Å
46K86Confident83.2Confident114 Ų11453.9 Ų53.950%0.49628%0.279SS..Hα-helixtrans-61.4-45.1173.4-172.7176.9-178.2-179.50111.9E42 E43 K44 I48 A49 E50 F92 P96E42-K46 PolarHBondContact O-N 3.03Å; E43-K46 WeakPolarHBondContact O-CB 3.38Å; E43-K46 PolarHBondContact O-N 3.24Å; K44-K46 VanDerWaalsContact C-N 3.31Å; K44-K46 PolarHBondContact O-N 3.01Å; K46-I48 PolarHBondContact O-N 3.37Å; K46-A49 PolarHBondContact O-N 3.02Å; K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 3.05Å; K46-F92 HydrophobicContact CG-CE1 4.06Å; K46-P96 HydrophobicContact CB-CG 4.05Å; K46-P96 HydrophobicContact CG-CG 3.95Å
47E86.3Confident83.6Confident58 Ų5855.1 Ų55.127%0.27129%0.286SS..Hα-helixtrans-64.9-37.1176.8-68.9-175.6158.800113.1T8 E43 K44 A51T8-E47 HydrophobicContact CG2-CB 3.91Å; E43-E47 WeakPolarHBondContact O-CG 3.39Å; E43-E47 PolarHBondContact O-N 2.97Å; K44-E47 PolarHBondContact O-N 2.91Å; E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 2.99Å
48I88.4Confident84.1Confident3 Ų352.9 Ų52.92%0.01527%0.273CS..Hα-helixtrans-66.8-40.4176.6-70.3156.8000110.8T8 L9 Y24 M27 A28 F31 K44 F45 K46 Y52T8-I48 HydrophobicContact CG2-CG1 4.28Å; L9-I48 HydrophobicContact CD2-CG2 4.01Å; Y24-I48 HydrophobicContact CD2-CG2 3.58Å; Y24-I48 HydrophobicContact CE2-CG2 3.84Å; M27-I48 HydrophobicContact CB-CD1 3.76Å; M27-I48 HydrophobicContact CB-CG1 4.04Å; M27-I48 HydrophobicContact CB-CG2 3.86Å; M27-I48 HydrophobicContact CE-CD1 4.22Å; A28-I48 HydrophobicContact CB-CG2 4.5Å; F31-I48 HydrophobicContact CB-CD1 4.07Å; F31-I48 HydrophobicContact CD2-CD1 3.46Å; F31-I48 VanDerWaalsContact CD2-CD1 3.46Å; F31-I48 HydrophobicContact CE2-CD1 4.23Å; F31-I48 HydrophobicContact CG-CD1 4.09Å; K44-I48 WeakPolarHBondContact O-CB 3.37Å; K44-I48 WeakPolarHBondContact O-CD1 3.34Å; K44-I48 WeakPolarHBondContact O-CG1 3.19Å; K44-I48 PolarHBondContact O-N 2.83Å; F45-I48 PolarHBondContact O-N 2.81Å; K46-I48 PolarHBondContact O-N 3.37Å; I48-Y52 PolarHBondContact O-N 3.44Å; I48-Y52 VanDerWaalsContact O-N 3.1Å
49A86.9Confident84.3Confident1 Ų156 Ų561%0.00828%0.283CS..Hα-helixtrans-66.2-44.6175.500000112F45 K46 Y52 E53 F92 P96F45-A49 WeakPolarHBondContact O-CB 3.37Å; F45-A49 PolarHBondContact O-N 3.25Å; K46-A49 PolarHBondContact O-N 3.02Å; A49-Y52 PolarHBondContact O-N 3.08Å; A49-E53 PolarHBondContact O-N 2.78Å; A49-F92 HydrophobicContact CB-CZ 4.44Å; A49-P96 HydrophobicContact CB-CB 3.94Å; A49-P96 HydrophobicContact CB-CG 4.49Å
50E86.4Confident84.8Confident13 Ų1352.9 Ų52.96%0.06126%0.257CS..Hα-helixtrans-59.8-47.2175.2-173.2177.2-161.200111.3K3 Y5 K46 Y52 E53 V54 F92K3-E50 IonicContact NZ-OE2 3.98Å; K3-E50 PolarHBondContact NZ-OE2 2.94Å; Y5-E50 HydrophobicContact CE1-CG 3.91Å; Y5-E50 PolarHBondContact OH-OE1 2.66Å; K46-E50 WeakPolarHBondContact O-CB 3.34Å; K46-E50 PolarHBondContact O-N 3.05Å; E50-Y52 VanDerWaalsContact C-N 3.33Å; E50-Y52 PolarHBondContact O-N 3.41Å; E50-E53 PolarHBondContact O-N 3.41Å; E50-V54 PolarHBondContact O-N 2.82Å; E50-V54 VanDerWaalsContact O-N 3.16Å; E50-F92 HydrophobicContact CB-CD2 3.97Å; E50-F92 HydrophobicContact CB-CE2 3.74Å; E50-F92 HydrophobicContact CB-CZ 4.23Å; E50-F92 HydrophobicContact CG-CD2 3.91Å; E50-F92 HydrophobicContact CG-CE2 4.21Å; E50-F92 HydrophobicContact CG-CG 4.41Å
51A89.2Confident85.2Confident0 Ų050.7 Ų50.70%024%0.242CC..Hα-helixtrans-59.9-42.617800000112.4Y5 T8 L9 E47 L55Y5-A51 HydrophobicContact CD1-CB 3.63Å; Y5-A51 HydrophobicContact CG-CB 3.97Å; T8-A51 HydrophobicContact CG2-CB 4.22Å; L9-A51 HydrophobicContact CD1-CB 4.24Å; L9-A51 HydrophobicContact CD2-CB 4.16Å; L9-A51 HydrophobicContact CG-CB 3.86Å; E47-A51 VanDerWaalsContact O-CB 3.28Å; E47-A51 WeakPolarHBondContact O-CB 3.38Å; E47-A51 PolarHBondContact O-N 2.99Å; A51-L55 VanDerWaalsContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CB 2.89Å; A51-L55 VanDerWaalsContact O-CG 3.23Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.92Å
52Y88.8Confident85.5Confident28 Ų2853.1 Ų53.111%0.1126%0.262CS..Hα-helixtrans-69.7-40.2178.3179.9-104000112.4I20 K21 Y24 I48 A49 E50 V54 L55 S56 T99 F103I20-Y52 HydrophobicContact CG2-CD2 3.94Å; I20-Y52 HydrophobicContact CG2-CE2 4.24Å; K21-Y52 HydrophobicContact CG-CE2 3.92Å; Y24-Y52 AromaticContact CD1-CD1 3.88Å; Y24-Y52 HydrophobicContact CD1-CD1 3.88Å; Y24-Y52 AromaticContact CD1-CD2 3.92Å; Y24-Y52 HydrophobicContact CD1-CD2 3.92Å; Y24-Y52 HydrophobicContact CD1-CE1 4.16Å; Y24-Y52 HydrophobicContact CD1-CE2 4.19Å; Y24-Y52 AromaticContact CD1-CG 3.75Å; Y24-Y52 HydrophobicContact CD1-CG 3.75Å; Y24-Y52 HydrophobicContact CD2-CD1 4.22Å; Y24-Y52 HydrophobicContact CD2-CD2 4.16Å; Y24-Y52 AromaticContact CD2-CG 3.63Å; Y24-Y52 HydrophobicContact CD2-CG 3.63Å; Y24-Y52 AromaticContact CE1-CD1 3.92Å; Y24-Y52 HydrophobicContact CE1-CD1 3.92Å; Y24-Y52 HydrophobicContact CE1-CE1 4.26Å; Y24-Y52 HydrophobicContact CE1-CG 4.2Å; Y24-Y52 HydrophobicContact CE2-CD1 4.27Å; Y24-Y52 HydrophobicContact CE2-CG 4.09Å; Y24-Y52 HydrophobicContact CG-CD1 4.01Å; Y24-Y52 AromaticContact CG-CD2 3.55Å; Y24-Y52 HydrophobicContact CG-CD2 3.55Å; Y24-Y52 HydrophobicContact CG-CE2 4.24Å; Y24-Y52 AromaticContact CG-CG 3.42Å; Y24-Y52 HydrophobicContact CG-CG 3.42Å; Y24-Y52 VanDerWaalsContact CG-CG 3.42Å; I48-Y52 PolarHBondContact O-N 3.44Å; I48-Y52 VanDerWaalsContact O-N 3.1Å; A49-Y52 PolarHBondContact O-N 3.08Å; E50-Y52 VanDerWaalsContact C-N 3.33Å; E50-Y52 PolarHBondContact O-N 3.41Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.8Å; Y52-L55 PolarHBondContact O-N 3.27Å; Y52-S56 WeakPolarHBondContact O-CB 3.41Å; Y52-S56 PolarHBondContact O-N 2.84Å; Y52-S56 PolarHBondContact O-OG 2.79Å; Y52-T99 HydrophobicContact CD1-CG2 4.1Å; Y52-F103 AromaticContact CE1-CD2 3.66Å; Y52-F103 HydrophobicContact CE1-CD2 3.66Å; Y52-F103 HydrophobicContact CE1-CE2 4.17Å; Y52-F103 HydrophobicContact CE2-CD2 4.28Å; Y52-F103 AromaticContact CE2-CE2 3.94Å; Y52-F103 HydrophobicContact CE2-CE2 3.94Å; Y52-F103 AromaticContact CZ-CD2 3.5Å; Y52-F103 VanDerWaalsContact CZ-CD2 3.5Å; Y52-F103 AromaticContact CZ-CE2 3.55Å; Y52-F103 WeakPolarHBondContact OH-CD2 3.39Å; Y52-F103 WeakPolarHBondContact OH-CE2 3.42Å
53E86.3Confident85.6Confident40 Ų4050 Ų5019%0.18725%0.248CC..Hα-helixtrans-61.7-37.8179.2-158.5-154.5146.100112.3A49 E50 K60 Y90 F92A49-E53 PolarHBondContact O-N 2.78Å; E50-E53 PolarHBondContact O-N 3.41Å; E53-K60 IonicContact OE1-NZ 3.17Å; E53-K60 PolarHBondContact OE1-NZ 2.99Å; E53-Y90 WeakPolarHBondContact OE1-CE2 3.48Å; E53-Y90 PolarHBondContact OE2-OH 3.29Å; E53-F92 VanDerWaalsContact OE2-CD2 3.31Å; E53-F92 WeakPolarHBondContact OE2-CD2 3.26Å
54V87.4Confident85.7Confident0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-76.7-44.8178175.40000111.6Y5 E50 Y52 K60 R61 Y64 L72 Y90Y5-V54 HydrophobicContact CD2-CB 4.02Å; Y5-V54 HydrophobicContact CD2-CG1 3.89Å; Y5-V54 HydrophobicContact CD2-CG2 4.39Å; Y5-V54 HydrophobicContact CE2-CB 3.93Å; Y5-V54 HydrophobicContact CE2-CG1 3.87Å; Y5-V54 HydrophobicContact CE2-CG2 3.81Å; E50-V54 PolarHBondContact O-N 2.82Å; E50-V54 VanDerWaalsContact O-N 3.16Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.8Å; V54-K60 HydrophobicContact CG1-CB 4.29Å; V54-K60 CarbonylContact O-C 3.59Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; V54-R61 PolarHBondContact O-N 2.84Å; V54-R61 VanDerWaalsContact O-N 3.16Å; V54-Y64 HydrophobicContact CG1-CD2 4.29Å; V54-Y64 HydrophobicContact CG1-CG 4.01Å; V54-L72 HydrophobicContact CG1-CD1 3.74Å; V54-L72 HydrophobicContact CG1-CD2 4.43Å; V54-L72 HydrophobicContact CG2-CD1 4.46Å; V54-L72 HydrophobicContact CG2-CD2 4.21Å; V54-Y90 HydrophobicContact CG2-CE1 4.11Å
55L88.4Confident85.8Confident4 Ų444.7 Ų44.72%0.02123%0.227CC..Hα-helixtrans-81.1-19.2-174.4-65.3178.7000114.1Y6 L9 I20 A51 Y52 R61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.17Å; Y6-L55 HydrophobicContact CD2-CD2 4.4Å; Y6-L55 HydrophobicContact CE1-CD1 4.18Å; Y6-L55 HydrophobicContact CE1-CD2 4.05Å; Y6-L55 HydrophobicContact CE2-CD2 3.76Å; Y6-L55 HydrophobicContact CG-CD1 4.39Å; L9-L55 HydrophobicContact CD1-CD1 3.86Å; I20-L55 HydrophobicContact CD1-CB 4.21Å; I20-L55 HydrophobicContact CG2-CB 3.95Å; A51-L55 VanDerWaalsContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CB 2.89Å; A51-L55 VanDerWaalsContact O-CG 3.23Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.92Å; Y52-L55 PolarHBondContact O-N 3.27Å; L55-R61 HydrophobicContact CD2-CG 4.26Å; L55-Y64 HydrophobicContact CD2-CD1 3.91Å; L55-Y64 HydrophobicContact CD2-CE1 4.26Å
56S85.9Confident85.6Confident33 Ų3352.2 Ų52.223%0.23126%0.263CS..Hα-helixtrans-80.7-24.7178.161.70000113.7Y52Y52-S56 WeakPolarHBondContact O-CB 3.41Å; Y52-S56 PolarHBondContact O-N 2.84Å; Y52-S56 PolarHBondContact O-OG 2.79Å
57D84.8Confident85.2Confident58 Ų5851.9 Ų51.931%0.3127%0.266SS..SBendtrans-91.9119.5175.5-175.4-42000110K59 K60 R61D57-K59 PolarHBondContact O-N 3.35Å; D57-K59 VanDerWaalsContact O-N 3.14Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.29Å; D57-K59 PolarHBondContact OD1-N 3.22Å; D57-K60 HydrophobicContact CB-CB 4.04Å; D57-K60 HydrophobicContact CB-CD 4Å; D57-K60 HydrophobicContact CB-CG 3.97Å; D57-K60 PolarHBondContact O-N 3.16Å; D57-K60 PolarHBondContact OD1-N 3.38Å; D57-R61 VanDerWaalsContact O-CB 3.3Å; D57-R61 WeakPolarHBondContact O-CB 3.33Å; D57-R61 PolarHBondContact O-N 3.19Å
58P84.8Confident84.8Confident97 Ų9750.4 Ų50.463%0.6327%0.266SS*.Hα-helixtrans-55.2-33.1-179.4-26.934.9000114.4A62P58-A62 WeakPolarHBondContact O-CB 3.3Å; P58-A62 PolarHBondContact O-N 3.24Å; P58-A62 VanDerWaalsContact O-N 3.11Å
59K83Confident84Confident165 Ų16551.2 Ų51.272%0.71727%0.27SS*.Hα-helixtrans-75.5-44.2179.9-62.8-178.8179.9-179.70111.3D57 A62 I63D57-K59 PolarHBondContact O-N 3.35Å; D57-K59 VanDerWaalsContact O-N 3.14Å; D57-K59 WeakPolarHBondContact OD1-CA 3.49Å; D57-K59 WeakPolarHBondContact OD1-CB 3.29Å; D57-K59 PolarHBondContact OD1-N 3.22Å; K59-A62 PolarHBondContact O-N 3.39Å; K59-I63 WeakPolarHBondContact O-CG1 3.46Å; K59-I63 PolarHBondContact O-N 3.27Å
60K84.2Confident83.1Confident50 Ų5057.2 Ų57.222%0.21730%0.298CS..Hα-helixtrans-67.6-38.8177.6-64.1-177.8-176.7171.50111.3E53 V54 D57 I63 Y64 Y90E53-K60 IonicContact OE1-NZ 3.17Å; E53-K60 PolarHBondContact OE1-NZ 2.99Å; V54-K60 HydrophobicContact CG1-CB 4.29Å; V54-K60 CarbonylContact O-C 3.59Å; V54-K60 WeakPolarHBondContact O-CB 3.45Å; D57-K60 HydrophobicContact CB-CB 4.04Å; D57-K60 HydrophobicContact CB-CD 4Å; D57-K60 HydrophobicContact CB-CG 3.97Å; D57-K60 PolarHBondContact O-N 3.16Å; D57-K60 PolarHBondContact OD1-N 3.38Å; K60-I63 PolarHBondContact O-N 2.99Å; K60-Y64 WeakPolarHBondContact O-CB 3.39Å; K60-Y64 PolarHBondContact O-N 3.36Å; K60-Y90 HydrophobicContact CD-CE2 4.4Å
61R86.5Confident82.1Confident47 Ų4757.7 Ų57.718%0.17731%0.306CS..Hα-helixtrans-60.1-46.3173.5-179.7178.1172.11683.1111.7Y6 S15 I20 V54 L55 D57 I63 Y64 D65Y6-R61 PolarHBondContact OH-NE 2.93Å; Y6-R61 VanDerWaalsContact OH-NE 3.07Å; S15-R61 VanDerWaalsContact O-CZ 3.28Å; S15-R61 PolarHBondContact O-NH1 2.83Å; S15-R61 PolarHBondContact O-NH2 3.37Å; I20-R61 VanDerWaalsContact CD1-NH1 3.28Å; V54-R61 PolarHBondContact O-N 2.84Å; V54-R61 VanDerWaalsContact O-N 3.16Å; L55-R61 HydrophobicContact CD2-CG 4.26Å; D57-R61 VanDerWaalsContact O-CB 3.3Å; D57-R61 WeakPolarHBondContact O-CB 3.33Å; D57-R61 PolarHBondContact O-N 3.19Å; R61-I63 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 3.46Å; R61-Y64 WeakPolarHBondContact O-CB 3.08Å; R61-Y64 PolarHBondContact O-N 3.19Å; R61-D65 WeakPolarHBondContact CG-OD2 3.17Å; R61-D65 IonicContact NE-OD2 3.51Å; R61-D65 WeakPolarHBondContact O-CB 3.09Å; R61-D65 PolarHBondContact O-N 3.46Å
62A83.1Confident80.9Confident52 Ų5258.2 Ų58.243%0.4331%0.309SS..Hα-helixtrans-60.9-42.2178.100000112.4P58 K59 D65 Q66P58-A62 WeakPolarHBondContact O-CB 3.3Å; P58-A62 PolarHBondContact O-N 3.24Å; P58-A62 VanDerWaalsContact O-N 3.11Å; K59-A62 PolarHBondContact O-N 3.39Å; A62-D65 PolarHBondContact O-N 2.81Å; A62-Q66 WeakPolarHBondContact O-CB 3.33Å; A62-Q66 PolarHBondContact O-N 3.44Å; A62-Q66 VanDerWaalsContact O-N 3.13Å
63I81.9Confident79.7Confident68 Ų6862.3 Ų62.335%0.34933%0.327SS..Hα-helixtrans-64.7-43.4176.3-65.3166000110.7K59 K60 R61 Q66 L67 L72K59-I63 WeakPolarHBondContact O-CG1 3.46Å; K59-I63 PolarHBondContact O-N 3.27Å; K60-I63 PolarHBondContact O-N 2.99Å; R61-I63 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 3.46Å; I63-Q66 PolarHBondContact O-N 3.38Å; I63-L67 HydrophobicContact CG2-CD1 4.47Å; I63-L67 PolarHBondContact O-N 3.06Å; I63-L72 HydrophobicContact CG2-CG 4.35Å
64Y83.6Confident77.9Confident17 Ų1765.9 Ų65.97%0.06735%0.352CS..Hα-helixtrans-62.8-43.5176.6-178.7-106.1000112.8K3 D4 Y5 Y6 V54 L55 K60 R61 Q66 G68 E69 L72K3-Y64 PolarHBondContact O-OH 2.74Å; D4-Y64 VanDerWaalsContact CA-OH 3.23Å; D4-Y64 WeakPolarHBondContact CA-OH 3.01Å; Y5-Y64 HydrophobicContact CD2-CD1 4.18Å; Y5-Y64 AromaticContact CD2-CD2 3.5Å; Y5-Y64 HydrophobicContact CD2-CD2 3.5Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.5Å; Y5-Y64 AromaticContact CD2-CE1 3.88Å; Y5-Y64 HydrophobicContact CD2-CE1 3.88Å; Y5-Y64 AromaticContact CD2-CE2 3.15Å; Y5-Y64 HydrophobicContact CD2-CE2 3.15Å; Y5-Y64 HydrophobicContact CD2-CG 4Å; Y5-Y64 AromaticContact CD2-CZ 3.37Å; Y5-Y64 AromaticContact CE2-CD2 3.63Å; Y5-Y64 HydrophobicContact CE2-CD2 3.63Å; Y5-Y64 AromaticContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CE2 3.45Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CG 4.44Å; Y5-Y64 HydrophobicContact CG-CE1 4.38Å; Y5-Y64 HydrophobicContact CG-CE2 4.03Å; Y5-Y64 AromaticContact CG-CZ 3.86Å; Y5-Y64 PolarHBondContact N-OH 3.13Å; Y6-Y64 AromaticContact CD2-CE1 3.93Å; Y6-Y64 HydrophobicContact CD2-CE1 3.93Å; Y6-Y64 HydrophobicContact CE2-CD1 4.09Å; Y6-Y64 AromaticContact CE2-CE1 3.81Å; Y6-Y64 HydrophobicContact CE2-CE1 3.81Å; V54-Y64 HydrophobicContact CG1-CD2 4.29Å; V54-Y64 HydrophobicContact CG1-CG 4.01Å; L55-Y64 HydrophobicContact CD2-CD1 3.91Å; L55-Y64 HydrophobicContact CD2-CE1 4.26Å; K60-Y64 WeakPolarHBondContact O-CB 3.39Å; K60-Y64 PolarHBondContact O-N 3.36Å; R61-Y64 WeakPolarHBondContact O-CB 3.08Å; R61-Y64 PolarHBondContact O-N 3.19Å; Y64-Q66 VanDerWaalsContact C-N 3.25Å; Y64-Q66 PolarHBondContact O-N 3.42Å; Y64-G68 WeakPolarHBondContact O-CA 3.37Å; Y64-G68 PolarHBondContact O-N 3.07Å; Y64-E69 HydrophobicContact CE2-CB 4.45Å; Y64-L72 HydrophobicContact CD2-CD1 3.77Å; Y64-L72 HydrophobicContact CG-CD1 4.23Å
65D85.3Confident76Confident88 Ų8867.3 Ų67.347%0.47137%0.367SS..Hα-helixtrans-66.6-29.7-179.8-72.4-18.7000111.7Y6 R61 A62Y6-D65 WeakPolarHBondContact CE2-OD1 3.28Å; Y6-D65 PolarHBondContact OH-OD1 3.24Å; Y6-D65 VanDerWaalsContact OH-OD1 3.06Å; Y6-D65 PolarHBondContact OH-OD2 2.91Å; R61-D65 WeakPolarHBondContact CG-OD2 3.17Å; R61-D65 IonicContact NE-OD2 3.51Å; R61-D65 WeakPolarHBondContact O-CB 3.09Å; R61-D65 PolarHBondContact O-N 3.46Å; A62-D65 PolarHBondContact O-N 2.81Å
66Q80.6Confident73.6Confident161 Ų16169.9 Ų69.975%0.75240%0.395SS*.Hα-helixtrans-89.7-36.1-178.3-169.7175.5-7.800114A62 I63 Y64A62-Q66 WeakPolarHBondContact O-CB 3.33Å; A62-Q66 PolarHBondContact O-N 3.44Å; A62-Q66 VanDerWaalsContact O-N 3.13Å; I63-Q66 PolarHBondContact O-N 3.38Å; Y64-Q66 VanDerWaalsContact C-N 3.25Å; Y64-Q66 PolarHBondContact O-N 3.42Å
67L76.6Confident71.3Confident107 Ų10776 Ų7656%0.5643%0.425SS*.Hα-helixtrans-128.5-0.5-168.4-64.4165.3000113.7I63 G71I63-L67 HydrophobicContact CG2-CD1 4.47Å; I63-L67 PolarHBondContact O-N 3.06Å; L67-G71 PolarHBondContact O-N 2.83Å
68G77.9Confident68.9Low27 Ų2778.5 Ų78.528%0.27845%0.446SS..Hα-helixtrans66.6-166.9-176.600000113.7Y64 E70 G71Y64-G68 WeakPolarHBondContact O-CA 3.37Å; Y64-G68 PolarHBondContact O-N 3.07Å; G68-E70 PolarHBondContact O-N 3.22Å; G68-G71 PolarHBondContact O-N 3.11Å
69E73.5Confident66.9Low19 Ų1979.7 Ų79.79%0.08946%0.457CS..Hα-helixtrans-59.2-33.2176.5-171.8-168.2177.100112G2 K3 Y64 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.4Å; K3-E69 WeakPolarHBondContact CG-OE2 3.48Å; K3-E69 PolarHBondContact N-OE2 2.92Å; Y64-E69 HydrophobicContact CE2-CB 4.45Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.87Å; E69-L72 PolarHBondContact O-N 2.87Å; E69-K73 HydrophobicContact CG-CD 4.3Å; E69-K73 PolarHBondContact O-N 2.63Å; E69-K73 WeakPolarHBondContact OE1-CE 3.4Å; E69-K73 IonicContact OE1-NZ 3.58Å; E69-K73 PolarHBondContact OE1-NZ 3.15Å
70E66.9Low64.6Low128 Ų12876.9 Ų76.960%0.59846%0.458SS*.Hα-helixtrans-68.6-30-179.6-64.1-177.8179.500111.9G68 L72 K73 T74G68-E70 PolarHBondContact O-N 3.22Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.43Å; E70-K73 PolarHBondContact O-N 3.4Å; E70-T74 WeakPolarHBondContact O-CB 3.35Å; E70-T74 PolarHBondContact O-N 3.29Å; E70-T74 PolarHBondContact O-OG1 3.32Å
71G65.1Low62.5Low23 Ų2378.5 Ų78.524%0.23749%0.489CS..Hα-helixtrans-69.1-26.9172.400000114.9L67 G68 E69L67-G71 PolarHBondContact O-N 2.83Å; G68-G71 PolarHBondContact O-N 3.11Å; E69-G71 VanDerWaalsContact C-N 3.32Å; E69-G71 PolarHBondContact O-N 2.87Å
72L64.9Low59.9Low11 Ų1180.8 Ų80.86%0.05852%0.518CS..Hα-helixtrans-76.3-30.3172.4-88.8129000112.1V54 I63 Y64 E69 E70 Y90V54-L72 HydrophobicContact CG1-CD1 3.74Å; V54-L72 HydrophobicContact CG1-CD2 4.43Å; V54-L72 HydrophobicContact CG2-CD1 4.46Å; V54-L72 HydrophobicContact CG2-CD2 4.21Å; I63-L72 HydrophobicContact CG2-CG 4.35Å; Y64-L72 HydrophobicContact CD2-CD1 3.77Å; Y64-L72 HydrophobicContact CG-CD1 4.23Å; E69-L72 PolarHBondContact O-N 2.87Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.43Å; L72-Y90 HydrophobicContact CB-CD1 4.19Å; L72-Y90 HydrophobicContact CD2-CD1 3.57Å; L72-Y90 HydrophobicContact CD2-CD2 4.25Å; L72-Y90 HydrophobicContact CD2-CE1 4.08Å; L72-Y90 HydrophobicContact CD2-CG 3.65Å
73K62.8Low57.8Low113 Ų11384.9 Ų84.949%0.49154%0.54SS..Hα-helixtrans-93.5-30.8-176.1-70.2179.8172.2176.90113.8E69 E70 G75E69-K73 HydrophobicContact CG-CD 4.3Å; E69-K73 PolarHBondContact O-N 2.63Å; E69-K73 WeakPolarHBondContact OE1-CE 3.4Å; E69-K73 IonicContact OE1-NZ 3.58Å; E69-K73 PolarHBondContact OE1-NZ 3.15Å; E70-K73 PolarHBondContact O-N 3.4Å; K73-G75 PolarHBondContact O-N 3.16Å
74T49Very low55.8Low115 Ų11585.4 Ų85.471%0.70656%0.562SS**  trans-82.853.2-176.4-42.90000112.1E70E70-T74 WeakPolarHBondContact O-CB 3.35Å; E70-T74 PolarHBondContact O-N 3.29Å; E70-T74 PolarHBondContact O-OG1 3.32Å
75G46.8Very low53.3Low30 Ų3089.4 Ų89.431%0.30959%0.593SS.*SBendtrans-103.513.2167.600000113.5K73K73-G75 PolarHBondContact O-N 3.16Å
76G39.3Very low51.3Low59 Ų5990.7 Ų90.761%0.60861%0.609SS**  trans172.199.8175.400000114.8
77N37.2Very low49.4Very low162 Ų16287.3 Ų87.387%0.86660%0.599SS**  trans-162.984.6132.7-153.863.7000110
78S33.7Very low47.7Very low109 Ų10990.4 Ų90.476%0.76261%0.61SS**  trans-133.8115.4156.8-63.30000106.9S80S78-S80 PolarHBondContact O-N 2.79Å
79S42.3Very low45.8Very low122 Ų12294.9 Ų94.985%0.85362%0.624SS**  trans-54.996.3170.848.90000111.2
80S35.3Very low44.5Very low106 Ų10695.5 Ų95.574%0.74163%0.626SS**  trans-179.7122.5159.447.20000110S78S78-S80 PolarHBondContact O-N 2.79Å
81G39.4Very low43.7Very low84 Ų8492.1 Ų92.187%0.86661%0.614SS**  trans-68.6141.7-177.200000114.4
82A32.3Very low43.2Very low95 Ų9593 Ų9379%0.78561%0.611SS**  trans-164.3134150.700000109.1
83P38.4Very low42.7Very low138 Ų138100.2 Ų100.290%0.89664%0.644SS**  trans-90.9125.9-179.733.4-27.7000110.8
84G40.2Very low42.3Very low79 Ų7995.8 Ų95.881%0.81463%0.631SS**  trans126.668.7167.300000115.5
85S32.8Very low43.4Very low102 Ų10294.4 Ų94.471%0.71362%0.619SS**  trans-162.6122155-172.10000109.5T87S85-T87 VanDerWaalsContact C-N 3.3Å; S85-T87 PolarHBondContact O-N 3.21Å; S85-T87 PolarHBondContact O-OG1 3.19Å
86S42.6Very low44.6Very low114 Ų11494 Ų9480%0.79761%0.611SS**  trans-68.186.5179.546.70000110.3
87T39.7Very low46.5Very low90 Ų9095 Ų9555%0.55260%0.599SS**  trans-88.9117.3-179.2-57.40000109.1S85 H89S85-T87 VanDerWaalsContact C-N 3.3Å; S85-T87 PolarHBondContact O-N 3.21Å; S85-T87 PolarHBondContact O-OG1 3.19Å; T87-H89 PolarHBondContact O-N 2.8Å
88H41.4Very low48.3Very low172 Ų17289.8 Ų89.880%0.79658%0.579SS**  trans-73.491.3179.4-70-64.7000111Y90H88-Y90 PolarHBondContact O-N 3.24Å
89H38.5Very low50.3Low122 Ų12285.7 Ų85.757%0.56555%0.549SS*.  trans-75.3114168.2-178.669.7000109.7T87 T91T87-H89 PolarHBondContact O-N 2.8Å; H89-T91 PolarHBondContact NE2-OG1 2.83Å
90Y46.8Very low52Low32 Ų3280.7 Ų80.713%0.12551%0.512CS..  trans-93.2103.8170179.7-103.7000109.4E53 V54 K60 L72 H88 F92E53-Y90 WeakPolarHBondContact OE1-CE2 3.48Å; E53-Y90 PolarHBondContact OE2-OH 3.29Å; V54-Y90 HydrophobicContact CG2-CE1 4.11Å; K60-Y90 HydrophobicContact CD-CE2 4.4Å; L72-Y90 HydrophobicContact CB-CD1 4.19Å; L72-Y90 HydrophobicContact CD2-CD1 3.57Å; L72-Y90 HydrophobicContact CD2-CD2 4.25Å; L72-Y90 HydrophobicContact CD2-CE1 4.08Å; L72-Y90 HydrophobicContact CD2-CG 3.65Å; H88-Y90 PolarHBondContact O-N 3.24Å; Y90-F92 HydrophobicContact CE1-CB 4.38Å; Y90-F92 WeakPolarHBondContact OH-CD2 3.44Å
91T48.4Very low54Low57 Ų5777.6 Ų77.635%0.3549%0.493SS..  trans-103.9127.8157.4-76.10000106.8H89 H93H89-T91 PolarHBondContact NE2-OG1 2.83Å; T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 VanDerWaalsContact CB-NE2 3.32Å; T91-H93 WeakPolarHBondContact CB-NE2 3.41Å; T91-H93 WeakPolarHBondContact CG2-CE1 3.1Å; T91-H93 WeakPolarHBondContact CG2-NE2 3.27Å; T91-H93 PolarHBondContact O-CD2 2.82Å; T91-H93 PolarHBondContact O-N 2.93Å
92F55.3Low55.8Low42 Ų4278.7 Ų78.718%0.18449%0.488CS..  trans-60.793.1172.1178.8-102.9000108.6K46 A49 E50 E53 Y90 G94 P96K46-F92 HydrophobicContact CG-CE1 4.06Å; A49-F92 HydrophobicContact CB-CZ 4.44Å; E50-F92 HydrophobicContact CB-CD2 3.97Å; E50-F92 HydrophobicContact CB-CE2 3.74Å; E50-F92 HydrophobicContact CB-CZ 4.23Å; E50-F92 HydrophobicContact CG-CD2 3.91Å; E50-F92 HydrophobicContact CG-CE2 4.21Å; E50-F92 HydrophobicContact CG-CG 4.41Å; E53-F92 VanDerWaalsContact OE2-CD2 3.31Å; E53-F92 WeakPolarHBondContact OE2-CD2 3.26Å; Y90-F92 HydrophobicContact CE1-CB 4.38Å; Y90-F92 WeakPolarHBondContact OH-CD2 3.44Å; F92-G94 WeakPolarHBondContact CE1-O 3.36Å; F92-G94 WeakPolarHBondContact CZ-O 3.29Å; F92-P96 HydrophobicContact CE1-CG 4.47Å; F92-P96 HydrophobicContact CZ-CG 4.36Å
93H54.1Low57.9Low161 Ų16176.2 Ų76.275%0.74546%0.459SS*.  trans-98-3.1178.7-70.6-66.3000112.4T91 D95T91-H93 VanDerWaalsContact C-N 3.29Å; T91-H93 VanDerWaalsContact CB-NE2 3.32Å; T91-H93 WeakPolarHBondContact CB-NE2 3.41Å; T91-H93 WeakPolarHBondContact CG2-CE1 3.1Å; T91-H93 WeakPolarHBondContact CG2-NE2 3.27Å; T91-H93 PolarHBondContact O-CD2 2.82Å; T91-H93 PolarHBondContact O-N 2.93Å; H93-D95 PolarHBondContact O-N 3.13Å
94G55.4Low59.8Low20 Ų2071.1 Ų71.121%0.20642%0.423CS..  trans-80110.2-178.200000111.1F92 P96F92-G94 WeakPolarHBondContact CE1-O 3.36Å; F92-G94 WeakPolarHBondContact CZ-O 3.29Å; G94-P96 WeakPolarHBondContact O-CD 3.37Å
95D70.6Confident61Low87 Ų8770.4 Ų70.447%0.46542%0.416SS..  trans-49123.5161.1177.9-3.7000108.3H93 H97 A98 T99H93-D95 PolarHBondContact O-N 3.13Å; D95-H97 PolarHBondContact O-N 2.82Å; D95-H97 WeakPolarHBondContact OD1-CB 3.41Å; D95-H97 IonicContact OD1-CG 3.79Å; D95-H97 PolarHBondContact OD1-N 2.91Å; D95-H97 IonicContact OD1-ND1 2.97Å; D95-H97 PolarHBondContact OD1-ND1 3.45Å; D95-A98 HydrophobicContact CB-CB 3.9Å; D95-A98 WeakPolarHBondContact O-CA 3.3Å; D95-A98 WeakPolarHBondContact O-CB 3.36Å; D95-A98 PolarHBondContact O-N 3.22Å; D95-T99 PolarHBondContact O-N 2.8Å
96P73.9Confident62.2Low20 Ų2068.7 Ų68.713%0.1341%0.414CS..Hα-helixtrans-49.7-31.8176.6-29.536.5000112.6F45 K46 A49 F92 G94 F100F45-P96 HydrophobicContact CD1-CB 3.61Å; F45-P96 HydrophobicContact CE1-CB 3.53Å; K46-P96 HydrophobicContact CB-CG 4.05Å; K46-P96 HydrophobicContact CG-CG 3.95Å; A49-P96 HydrophobicContact CB-CB 3.94Å; A49-P96 HydrophobicContact CB-CG 4.49Å; F92-P96 HydrophobicContact CE1-CG 4.47Å; F92-P96 HydrophobicContact CZ-CG 4.36Å; G94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-F100 VanDerWaalsContact O-CB 3.32Å; P96-F100 WeakPolarHBondContact O-CB 3.32Å; P96-F100 PolarHBondContact O-N 2.85Å
97H78.5Confident62.6Low80 Ų8067 Ų6737%0.3740%0.402SS..Hα-helixtrans-73.6-31.2176.2-58.480.7000112.7D95 A101D95-H97 PolarHBondContact O-N 2.82Å; D95-H97 WeakPolarHBondContact OD1-CB 3.41Å; D95-H97 IonicContact OD1-CG 3.79Å; D95-H97 PolarHBondContact OD1-N 2.91Å; D95-H97 IonicContact OD1-ND1 2.97Å; D95-H97 PolarHBondContact OD1-ND1 3.45Å; H97-A101 WeakPolarHBondContact O-CB 3.5Å; H97-A101 PolarHBondContact O-N 3.25Å
98A75.2Confident63.4Low53 Ų5367.9 Ų67.944%0.43840%0.404SS..Hα-helixtrans-71.6-40.5173.700000111.7D95 F100 A101 S102D95-A98 HydrophobicContact CB-CB 3.9Å; D95-A98 WeakPolarHBondContact O-CA 3.3Å; D95-A98 WeakPolarHBondContact O-CB 3.36Å; D95-A98 PolarHBondContact O-N 3.22Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-A101 PolarHBondContact O-N 3.26Å; A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.4Å; A98-S102 PolarHBondContact O-N 3.15Å
99T75Confident64.2Low23 Ų2360.7 Ų60.714%0.14137%0.372CS..Hα-helixtrans-64-40.1173.2-54.50000110.7Y52 D95 F103Y52-T99 HydrophobicContact CD1-CG2 4.1Å; D95-T99 PolarHBondContact O-N 2.8Å; T99-F103 VanDerWaalsContact O-CB 3.25Å; T99-F103 WeakPolarHBondContact O-CB 3.33Å; T99-F103 PolarHBondContact O-N 2.88Å
100F78.8Confident65.1Low17 Ų1756.6 Ų56.68%0.07535%0.352CS..Hα-helixtrans-63.5-48.4172.6-174.7-91.7000112.2Y24 A28 L29 H32 F45 P96 A98 S102 F103 F104 P109 F110Y24-F100 PolarHBondContact OH-N 2.76Å; A28-F100 HydrophobicContact CB-CD2 4.06Å; A28-F100 HydrophobicContact CB-CE2 4.17Å; L29-F100 HydrophobicContact CD2-CZ 4.48Å; H32-F100 AromaticContact CD2-CE2 3.72Å; H32-F100 AromaticContact CD2-CZ 3.64Å; H32-F100 AromaticContact NE2-CE1 3.86Å; H32-F100 AromaticContact NE2-CZ 3.96Å; F45-F100 AromaticContact CE2-CD2 3.98Å; F45-F100 HydrophobicContact CE2-CD2 3.98Å; F45-F100 HydrophobicContact CZ-CB 3.96Å; F45-F100 AromaticContact CZ-CD2 3.89Å; F45-F100 HydrophobicContact CZ-CD2 3.89Å; F45-F100 HydrophobicContact CZ-CG 4.12Å; P96-F100 VanDerWaalsContact O-CB 3.32Å; P96-F100 WeakPolarHBondContact O-CB 3.32Å; P96-F100 PolarHBondContact O-N 2.85Å; A98-F100 VanDerWaalsContact C-N 3.32Å; F100-S102 PolarHBondContact O-N 2.92Å; F100-F103 PolarHBondContact O-N 2.98Å; F100-F104 HydrophobicContact CD1-CD2 4.01Å; F100-F104 AromaticContact CD2-CD2 3.55Å; F100-F104 HydrophobicContact CD2-CD2 3.55Å; F100-F104 AromaticContact CD2-CE2 3.48Å; F100-F104 HydrophobicContact CD2-CE2 3.48Å; F100-F104 VanDerWaalsContact CD2-CE2 3.48Å; F100-F104 AromaticContact CE1-CD2 3.92Å; F100-F104 HydrophobicContact CE1-CD2 3.92Å; F100-F104 AromaticContact CE2-CD2 3.45Å; F100-F104 HydrophobicContact CE2-CD2 3.45Å; F100-F104 VanDerWaalsContact CE2-CD2 3.45Å; F100-F104 AromaticContact CE2-CE2 3.23Å; F100-F104 HydrophobicContact CE2-CE2 3.23Å; F100-F104 HydrophobicContact CE2-CZ 4.16Å; F100-F104 AromaticContact CG-CD2 3.84Å; F100-F104 HydrophobicContact CG-CD2 3.84Å; F100-F104 HydrophobicContact CG-CE2 4.24Å; F100-F104 AromaticContact CZ-CD2 3.66Å; F100-F104 HydrophobicContact CZ-CD2 3.66Å; F100-F104 AromaticContact CZ-CE2 3.83Å; F100-F104 HydrophobicContact CZ-CE2 3.83Å; F100-F104 HydrophobicContact CZ-CG 4.39Å; F100-F104 WeakPolarHBondContact O-CD2 3.14Å; F100-F104 PolarHBondContact O-N 3.35Å; F100-P109 HydrophobicContact CE1-CG 3.89Å; F100-P109 HydrophobicContact CE2-CG 4.43Å; F100-P109 HydrophobicContact CZ-CG 3.44Å; F100-P109 VanDerWaalsContact CZ-CG 3.44Å; F100-F110 HydrophobicContact CZ-CE2 4.15Å; F100-F110 HydrophobicContact CZ-CZ 4.5Å
101A75.9Confident65.3Low42 Ų4260.7 Ų60.735%0.34738%0.377SS..Hα-helixtrans-64.8-3818000000112.2H97 A98 G105 G106H97-A101 WeakPolarHBondContact O-CB 3.5Å; H97-A101 PolarHBondContact O-N 3.25Å; A98-A101 PolarHBondContact O-N 3.26Å; A101-G105 CarbonylContact O-C 3.44Å; A101-G105 VanDerWaalsContact O-CA 3.25Å; A101-G105 WeakPolarHBondContact O-CA 3.37Å; A101-G105 PolarHBondContact O-N 3.17Å; A101-G106 PolarHBondContact O-N 3.4Å
102S77.5Confident65.1Low106 Ų10666.9 Ų66.974%0.74140%0.404SS*.Hα-helixtrans-65-41.4173.4-179.50000111.5A98 F100A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.4Å; A98-S102 PolarHBondContact O-N 3.15Å; F100-S102 PolarHBondContact O-N 2.92Å
103F77Confident64.6Low44 Ų4469.7 Ų69.719%0.19342%0.416CS..Hα-helixtrans-71.8-38.2179.8-174-90.6000113.7K21 Y24 R25 Y52 T99 F100K21-F103 HydrophobicContact CB-CE2 4.26Å; K21-F103 HydrophobicContact CB-CZ 4.41Å; K21-F103 HydrophobicContact CG-CE2 4.24Å; K21-F103 WeakPolarHBondContact O-CZ 3.3Å; Y24-F103 AromaticContact CD1-CD1 3.92Å; Y24-F103 HydrophobicContact CD1-CD1 3.92Å; Y24-F103 AromaticContact CD1-CD2 3.63Å; Y24-F103 HydrophobicContact CD1-CD2 3.63Å; Y24-F103 AromaticContact CD1-CE1 3.93Å; Y24-F103 HydrophobicContact CD1-CE1 3.93Å; Y24-F103 AromaticContact CD1-CE2 3.64Å; Y24-F103 HydrophobicContact CD1-CE2 3.64Å; Y24-F103 AromaticContact CD1-CG 3.77Å; Y24-F103 HydrophobicContact CD1-CG 3.77Å; Y24-F103 AromaticContact CD1-CZ 3.79Å; Y24-F103 HydrophobicContact CD1-CZ 3.79Å; Y24-F103 HydrophobicContact CE1-CB 3.75Å; Y24-F103 AromaticContact CE1-CD1 3.77Å; Y24-F103 HydrophobicContact CE1-CD1 3.77Å; Y24-F103 AromaticContact CE1-CD2 3.71Å; Y24-F103 HydrophobicContact CE1-CD2 3.71Å; Y24-F103 HydrophobicContact CE1-CE1 4.26Å; Y24-F103 HydrophobicContact CE1-CE2 4.21Å; Y24-F103 AromaticContact CE1-CG 3.46Å; Y24-F103 HydrophobicContact CE1-CG 3.46Å; Y24-F103 VanDerWaalsContact CE1-CG 3.46Å; Y24-F103 HydrophobicContact CE1-CZ 4.46Å; R25-F103 HydrophobicContact CB-CE1 3.87Å; R25-F103 HydrophobicContact CB-CZ 4.07Å; R25-F103 HydrophobicContact CG-CE1 4.23Å; Y52-F103 AromaticContact CE1-CD2 3.66Å; Y52-F103 HydrophobicContact CE1-CD2 3.66Å; Y52-F103 HydrophobicContact CE1-CE2 4.17Å; Y52-F103 HydrophobicContact CE2-CD2 4.28Å; Y52-F103 AromaticContact CE2-CE2 3.94Å; Y52-F103 HydrophobicContact CE2-CE2 3.94Å; Y52-F103 AromaticContact CZ-CD2 3.5Å; Y52-F103 VanDerWaalsContact CZ-CD2 3.5Å; Y52-F103 AromaticContact CZ-CE2 3.55Å; Y52-F103 WeakPolarHBondContact OH-CD2 3.39Å; Y52-F103 WeakPolarHBondContact OH-CE2 3.42Å; T99-F103 VanDerWaalsContact O-CB 3.25Å; T99-F103 WeakPolarHBondContact O-CB 3.33Å; T99-F103 PolarHBondContact O-N 2.88Å; F100-F103 PolarHBondContact O-N 2.98Å
104F78.1Confident64.4Low31 Ų3166.7 Ų66.714%0.13640%0.401CS..Hα-helixtrans-100.46.3-179.3-68-77.9000113.7R25 A28 L29 F100 G106 S107 P109R25-F104 HydrophobicContact CB-CZ 4.43Å; R25-F104 HydrophobicContact CG-CE1 3.91Å; R25-F104 HydrophobicContact CG-CZ 3.84Å; A28-F104 HydrophobicContact CB-CE2 4.45Å; L29-F104 HydrophobicContact CD2-CZ 4.33Å; L29-F104 HydrophobicContact CG-CZ 4.18Å; F100-F104 HydrophobicContact CD1-CD2 4.01Å; F100-F104 AromaticContact CD2-CD2 3.55Å; F100-F104 HydrophobicContact CD2-CD2 3.55Å; F100-F104 AromaticContact CD2-CE2 3.48Å; F100-F104 HydrophobicContact CD2-CE2 3.48Å; F100-F104 VanDerWaalsContact CD2-CE2 3.48Å; F100-F104 AromaticContact CE1-CD2 3.92Å; F100-F104 HydrophobicContact CE1-CD2 3.92Å; F100-F104 AromaticContact CE2-CD2 3.45Å; F100-F104 HydrophobicContact CE2-CD2 3.45Å; F100-F104 VanDerWaalsContact CE2-CD2 3.45Å; F100-F104 AromaticContact CE2-CE2 3.23Å; F100-F104 HydrophobicContact CE2-CE2 3.23Å; F100-F104 HydrophobicContact CE2-CZ 4.16Å; F100-F104 AromaticContact CG-CD2 3.84Å; F100-F104 HydrophobicContact CG-CD2 3.84Å; F100-F104 HydrophobicContact CG-CE2 4.24Å; F100-F104 AromaticContact CZ-CD2 3.66Å; F100-F104 HydrophobicContact CZ-CD2 3.66Å; F100-F104 AromaticContact CZ-CE2 3.83Å; F100-F104 HydrophobicContact CZ-CE2 3.83Å; F100-F104 HydrophobicContact CZ-CG 4.39Å; F100-F104 WeakPolarHBondContact O-CD2 3.14Å; F100-F104 PolarHBondContact O-N 3.35Å; F104-G106 PolarHBondContact O-N 2.64Å; F104-S107 PolarHBondContact O-N 2.97Å; F104-S107 PolarHBondContact O-OG 3.06Å; F104-P109 HydrophobicContact CB-CB 4.43Å; F104-P109 HydrophobicContact CB-CG 4.32Å; F104-P109 HydrophobicContact CD1-CB 3.51Å; F104-P109 HydrophobicContact CD1-CG 3.89Å; F104-P109 HydrophobicContact CD2-CG 4.31Å; F104-P109 HydrophobicContact CE1-CB 3.83Å; F104-P109 HydrophobicContact CE1-CG 4.21Å; F104-P109 HydrophobicContact CG-CB 4.03Å; F104-P109 HydrophobicContact CG-CG 3.93Å
105G65.9Low63.7Low64 Ų6468.2 Ų68.266%0.6642%0.417SS*.THydrogen-bonded Turntrans65.829.3174.500000115.4A101 S107A101-G105 CarbonylContact O-C 3.44Å; A101-G105 VanDerWaalsContact O-CA 3.25Å; A101-G105 WeakPolarHBondContact O-CA 3.37Å; A101-G105 PolarHBondContact O-N 3.17Å; G105-S107 PolarHBondContact O-N 2.69Å; G105-S107 VanDerWaalsContact O-N 3.11Å
106G56.9Low62.2Low66 Ų6669.4 Ų69.468%0.6843%0.432SS*.THydrogen-bonded Turntrans66.87.5179.900000115.2A101 F104A101-G106 PolarHBondContact O-N 3.4Å; F104-G106 PolarHBondContact O-N 2.64Å
107S51.1Low60.6Low77 Ų7773.5 Ų73.554%0.53846%0.461SS..SBendtrans-93.9138.2173.364.70000109.4F104 G105 P109F104-S107 PolarHBondContact O-N 2.97Å; F104-S107 PolarHBondContact O-OG 3.06Å; G105-S107 PolarHBondContact O-N 2.69Å; G105-S107 VanDerWaalsContact O-N 3.11Å; S107-P109 WeakPolarHBondContact O-CD 3.25Å
108N57.2Low58.6Low110 Ų11081.2 Ų81.259%0.58849%0.487SS*.  trans-63.7106.3175.1-922.7000109.1F110 D111N108-F110 PolarHBondContact O-N 2.69Å; N108-D111 PolarHBondContact O-N 3.14Å
109P58.4Low56.6Low20 Ų2083.9 Ų83.913%0.1350%0.502CS..THydrogen-bonded Turntrans-69.6-10.3-177.731.2-33.5000111.9L29 F100 F104 S107L29-P109 HydrophobicContact CD2-CB 4.19Å; L29-P109 HydrophobicContact CD2-CG 3.82Å; F100-P109 HydrophobicContact CE1-CG 3.89Å; F100-P109 HydrophobicContact CE2-CG 4.43Å; F100-P109 HydrophobicContact CZ-CG 3.44Å; F100-P109 VanDerWaalsContact CZ-CG 3.44Å; F104-P109 HydrophobicContact CB-CB 4.43Å; F104-P109 HydrophobicContact CB-CG 4.32Å; F104-P109 HydrophobicContact CD1-CB 3.51Å; F104-P109 HydrophobicContact CD1-CG 3.89Å; F104-P109 HydrophobicContact CD2-CG 4.31Å; F104-P109 HydrophobicContact CE1-CB 3.83Å; F104-P109 HydrophobicContact CE1-CG 4.21Å; F104-P109 HydrophobicContact CG-CB 4.03Å; F104-P109 HydrophobicContact CG-CG 3.93Å; S107-P109 WeakPolarHBondContact O-CD 3.25Å
110F57.9Low54.6Low36 Ų3691.9 Ų91.916%0.15854%0.538CS..THydrogen-bonded Turntrans-73.6-27.7176.6-60.3-73.4000113.3L29 H32 K35 F100 N108 M112 F113 F114L29-F110 HydrophobicContact CD2-CD1 4.29Å; L29-F110 HydrophobicContact CD2-CE1 3.72Å; L29-F110 HydrophobicContact CD2-CZ 3.84Å; H32-F110 HydrophobicContact CB-CE2 4.48Å; H32-F110 HydrophobicContact CB-CZ 3.74Å; H32-F110 AromaticContact CG-CE2 3.99Å; H32-F110 AromaticContact CG-CZ 3.74Å; K35-F110 HydrophobicContact CB-CE1 4.49Å; K35-F110 HydrophobicContact CD-CD1 4.24Å; K35-F110 HydrophobicContact CD-CE1 3.91Å; F100-F110 HydrophobicContact CZ-CE2 4.15Å; F100-F110 HydrophobicContact CZ-CZ 4.5Å; N108-F110 PolarHBondContact O-N 2.69Å; F110-M112 VanDerWaalsContact C-N 3.32Å; F110-M112 PolarHBondContact O-N 3.21Å; F110-F113 PolarHBondContact O-N 3.08Å; F110-F114 HydrophobicContact CD1-CD2 4.31Å; F110-F114 PolarHBondContact O-N 3.08Å
111D49.6Very low52.4Low118 Ų11896 Ų9663%0.63157%0.568SS**Hα-helixtrans-69.9-31.7-179.9-82.6-25.8000112.2N108 F113 G115N108-D111 PolarHBondContact O-N 3.14Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.32Å; D111-G115 PolarHBondContact O-N 2.9Å
112M45Very low50.2Low188 Ų188105.7 Ų105.793%0.92660%0.596SS**Hα-helixtrans-76.1-19.6179.4-151.1175.5-153.500113.2F110F110-M112 VanDerWaalsContact C-N 3.32Å; F110-M112 PolarHBondContact O-N 3.21Å
113F44Very low48.1Very low101 Ų101105.4 Ų105.444%0.44359%0.594SS.*Hα-helixtrans-114.8-33-173.9-164.3-81.2000113.8F110 D111 F148F110-F113 PolarHBondContact O-N 3.08Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.32Å; F113-F148 HydrophobicContact CE2-CD1 4.08Å; F113-F148 AromaticContact CE2-CE1 3.55Å; F113-F148 HydrophobicContact CE2-CE1 3.55Å; F113-F148 HydrophobicContact CE2-CZ 4.06Å; F113-F148 AromaticContact CZ-CD1 3.91Å; F113-F148 HydrophobicContact CZ-CD1 3.91Å; F113-F148 AromaticContact CZ-CE1 3.47Å; F113-F148 HydrophobicContact CZ-CE1 3.47Å; F113-F148 VanDerWaalsContact CZ-CE1 3.47Å; F113-F148 HydrophobicContact CZ-CZ 4.37Å
114F51.2Low46Very low98 Ų98111.2 Ų111.243%0.4363%0.627SS.*Hα-helixtrans-115.1-6.1-176.6-64.8-77.3000114.2F110 S116F110-F114 HydrophobicContact CD1-CD2 4.31Å; F110-F114 PolarHBondContact O-N 3.08Å; F114-S116 PolarHBondContact O-N 3.45Å
115G39Very low43.7Very low52 Ų52112.5 Ų112.554%0.53665%0.649SS.*G310 helixtrans-72.9-7.2174.700000114.9D111D111-G115 PolarHBondContact O-N 2.9Å
116S40.2Very low41.9Very low112 Ų112119.7 Ų119.778%0.78366%0.662SS**G310 helixtrans-88.94.1-175.4-154.10000114.8F114F114-S116 PolarHBondContact O-N 3.45Å
117S39.7Very low41.2Very low105 Ų105121.2 Ų121.273%0.73466%0.661SS**G310 helixtrans-109.711.2-176.7-54.80000115.8
118R37.2Very low40.1Very low243 Ų243128 Ų12892%0.91768%0.681SS**SBendtrans-142.561.3177-65-171.9-178.8178.11.1113.7
119S33.4Very low39Very low108 Ų108131.7 Ų131.776%0.75569%0.694SS**  trans-165.274.7153.2-162.50000111.1
120H32.1Very low38Very low192 Ų192138 Ų13889%0.88973%0.726SS**  trans-92.493.8150.1-91.671.5000106.5R122H120-R122 PolarHBondContact O-N 3.47Å; H120-R122 VanDerWaalsContact O-N 3.12Å
121S32.1Very low36.4Very low102 Ų102143.1 Ų143.171%0.71376%0.755SS**  trans-59.8110.4163.4-175.80000108.1
122R31.3Very low36Very low247 Ų247146.2 Ų146.293%0.93277%0.766SS**  trans-79.4112.8162.2-79.3-175.1170.4-174.2-2.5107.6H120H120-R122 PolarHBondContact O-N 3.47Å; H120-R122 VanDerWaalsContact O-N 3.12Å
123S33.3Very low35.3Very low100 Ų100142.1 Ų142.170%0.69976%0.756SS**  trans-125122.6156.762.20000108.5
124N33.1Very low34.7Very low166 Ų166145.4 Ų145.489%0.88878%0.778SS**  trans51.6120.4169.9-87.517000117.4
125G29Very low33.8Very low58 Ų58143.8 Ų143.860%0.59879%0.789SS**  cis109.4102.435.100000108.4
126F28.4Very low33.4Very low214 Ų214148.3 Ų148.394%0.93981%0.806SS**  trans169.6150143.3-82.1-61.1000110.2
127P42.1Very low33.1Very low99 Ų99151.8 Ų151.864%0.64381%0.81SS**  trans-116.5139.2-147.137.3-23.6000113.7
128F28.4Very low32.8Very low220 Ų220155.8 Ų155.897%0.96582%0.817SS**  trans-143.1150.1158.4-87.3-74.8000113
129H32.8Very low32.6Very low186 Ų186151.5 Ų151.586%0.86181%0.812SS**  trans-69.6156-159.7-110.9-107.9000116.1
130N37.3Very low32.6Very low152 Ų152152 Ų15281%0.81381%0.811SS**  trans-32.4132.6157.7-142.137.9000114.9
131D26.2Very low32.6Very low144 Ų144151.7 Ų151.777%0.7781%0.81SS**  trans-162.3145.2133.1-161.313.5000111.5
132H40.8Very low33Very low183 Ų183154.8 Ų154.885%0.84782%0.815SS**  trans-119.4106.5-174.2-142.446.7000107
133S29.9Very low33.2Very low103 Ų103150.7 Ų150.772%0.7281%0.812SS**  trans-161.9122.9159.451.80000114
134N31.5Very low33.6Very low170 Ų170155 Ų15591%0.90982%0.821SS**  trans56.5111.9132.4-138.625.5000121.5
135G32.1Very low34Very low63 Ų63154.8 Ų154.865%0.64982%0.82SS**  trans9129.415100000121.9
136T29.9Very low34.8Very low148 Ų148157 Ų15791%0.90882%0.818SS**  -160.6141.8124.5-5.80000110.3
137E35.1Very low35.6Very low185 Ų185151.8 Ų151.886%0.86481%0.806SS**  trans-71.1136.2-177.6-60.4157.6170.900110.5
138Q32.2Very low35.7Very low188 Ų188152.8 Ų152.888%0.87980%0.8SS**  trans-150.2113.5150.6-157.6158.587.700109.9T140Q138-T140 PolarHBondContact O-N 3.11Å
139D33Very low36.6Very low153 Ų153145.4 Ų145.482%0.81878%0.78SS**  trans-52.7126.5178.2-69.9-48.5000112
140T33.7Very low36.9Very low119 Ų119142.7 Ų142.773%0.7377%0.767SS**  trans-108.5104.4155.8-46.40000106.1Q138 M142Q138-T140 PolarHBondContact O-N 3.11Å; T140-M142 PolarHBondContact O-N 2.62Å
141E33.1Very low37.1Very low186 Ų186140.4 Ų140.487%0.86975%0.75SS**  trans-53.7105.4168.5-66.7177165.300108.4
142M40.5Very low37.9Very low166 Ų166135.9 Ų135.982%0.81874%0.738SS**  trans-89123.3173.8-75.8-175-179.500108.9T140 E144T140-M142 PolarHBondContact O-N 2.62Å; M142-E144 PolarHBondContact O-N 2.82Å
143D34.9Very low38Very low161 Ų161137.9 Ų137.986%0.86174%0.738SS**  trans-42.6126.2174.8-72.3-57.4000113.2D145D143-D145 VanDerWaalsContact C-N 3.32Å; D143-D145 PolarHBondContact O-N 3.28Å
144E42.3Very low38.5Very low192 Ų192139.2 Ų139.290%0.89773%0.733SS**SBendtrans-80.512.9-168.7-106.8-178.9152.200116.4M142M142-E144 PolarHBondContact O-N 2.82Å
145D41.5Very low38.9Very low161 Ų161138 Ų13886%0.86172%0.719SS**  trans-126.139.6-175.4-77.2-46.5000114.8D143 P147D143-D145 VanDerWaalsContact C-N 3.32Å; D143-D145 PolarHBondContact O-N 3.28Å; D145-P147 VanDerWaalsContact O-CD 3.29Å; D145-P147 WeakPolarHBondContact O-CD 3.46Å
146D45.3Very low39.1Very low103 Ų103138.5 Ų138.555%0.55173%0.725SS**  trans-99.3100.7162.8-160-16.8000111.4F148 A149D146-F148 PolarHBondContact O-N 3.48Å; D146-F148 PolarHBondContact OD1-N 3.44Å; D146-A149 HydrophobicContact CB-CB 4.08Å; D146-A149 PolarHBondContact O-N 3.2Å; D146-A149 VanDerWaalsContact O-N 3.08Å
147P45Very low39.4Very low105 Ų105138.5 Ų138.568%0.68271%0.712SS**THydrogen-bonded Turntrans-67.50.3-179.127.3-34.2000114D145D145-P147 VanDerWaalsContact O-CD 3.29Å; D145-P147 WeakPolarHBondContact O-CD 3.46Å
148F44.6Very low39.3Very low120 Ų120135.8 Ų135.853%0.52671%0.711SS.*THydrogen-bonded Turntrans-108.2-10.8172.6-97.9-90.3000114.6F113 D146 H150 F151F113-F148 HydrophobicContact CE2-CD1 4.08Å; F113-F148 AromaticContact CE2-CE1 3.55Å; F113-F148 HydrophobicContact CE2-CE1 3.55Å; F113-F148 HydrophobicContact CE2-CZ 4.06Å; F113-F148 AromaticContact CZ-CD1 3.91Å; F113-F148 HydrophobicContact CZ-CD1 3.91Å; F113-F148 AromaticContact CZ-CE1 3.47Å; F113-F148 HydrophobicContact CZ-CE1 3.47Å; F113-F148 VanDerWaalsContact CZ-CE1 3.47Å; F113-F148 HydrophobicContact CZ-CZ 4.37Å; D146-F148 PolarHBondContact O-N 3.48Å; D146-F148 PolarHBondContact OD1-N 3.44Å; F148-H150 PolarHBondContact O-N 3.28Å; F148-F151 HydrophobicContact CD1-CB 4.26Å; F148-F151 WeakPolarHBondContact O-CB 3.13Å; F148-F151 PolarHBondContact O-N 3.26Å
149A45.8Very low39.3Very low65 Ų65130 Ų13054%0.53770%0.702SS.*G310 helixtrans-65-27.2175.500000112.2D146D146-A149 HydrophobicContact CB-CB 4.08Å; D146-A149 PolarHBondContact O-N 3.2Å; D146-A149 VanDerWaalsContact O-N 3.08Å
150H41Very low39.4Very low130 Ų130126.4 Ų126.460%0.60270%0.701SS**G310 helixtrans-80.4-14.5178.3-138.281.8000114.2F148 G152F148-H150 PolarHBondContact O-N 3.28Å; H150-G152 VanDerWaalsContact C-N 3.29Å; H150-G152 PolarHBondContact O-N 3.21Å
151F40.5Very low39.2Very low104 Ų104129.5 Ų129.546%0.45671%0.709SS.*G310 helixtrans-69.8-28.9177.7-174-102.8000112F148F148-F151 HydrophobicContact CD1-CB 4.26Å; F148-F151 WeakPolarHBondContact O-CB 3.13Å; F148-F151 PolarHBondContact O-N 3.26Å
152G43.9Very low39.1Very low49 Ų49128.1 Ų128.151%0.50571%0.708SS.*THydrogen-bonded Turntrans-85.5-22.5-179.300000115.5H150H150-G152 VanDerWaalsContact C-N 3.29Å; H150-G152 PolarHBondContact O-N 3.21Å
153R43.2Very low38.8Very low224 Ų224128.3 Ų128.385%0.84571%0.712SS**THydrogen-bonded Turntrans-99-24.5-173.5-74.8-166.5-177.4-98.85.6115.1
154Q39.9Very low38.4Very low132 Ų132123.5 Ų123.562%0.61770%0.701SS**SBendtrans-95.5-20-173.6-163.166.314.700114.7
155F39.4Very low37.8Very low143 Ų143124.4 Ų124.463%0.62770%0.702SS**SBendtrans-113.691.5177.4-74.7-83.6000108.7F157F155-F157 VanDerWaalsContact O-CD2 3.22Å; F155-F157 WeakPolarHBondContact O-CD2 3.46Å; F155-F157 PolarHBondContact O-N 2.84Å
156G37.2Very low37.9Very low74 Ų74122.4 Ų122.476%0.76370%0.698SS**  trans-45106-174.100000113.1P158G156-P158 VanDerWaalsContact O-CD 3.31Å; G156-P158 WeakPolarHBondContact O-CD 3.17Å
157F36.1Very low37.1Very low149 Ų149121 Ų12165%0.65471%0.707SS**  trans-81.4112.8163.6-72.7-83.5000107.2F155 G159F155-F157 VanDerWaalsContact O-CD2 3.22Å; F155-F157 WeakPolarHBondContact O-CD2 3.46Å; F155-F157 PolarHBondContact O-N 2.84Å; F157-G159 PolarHBondContact O-N 3.4Å; F157-G159 VanDerWaalsContact O-N 3.16Å
158P32.5Very low36.5Very low128 Ų128125.4 Ų125.483%0.83172%0.719SS**PPolyproline II helixtrans-66.3118.6173-1429.7000108.4G156G156-P158 VanDerWaalsContact O-CD 3.31Å; G156-P158 WeakPolarHBondContact O-CD 3.17Å
159G31.6Very low36.1Very low67 Ų67123 Ų12369%0.69173%0.729SS**PPolyproline II helixtrans-53.9153164.600000111.3F157F157-G159 PolarHBondContact O-N 3.4Å; F157-G159 VanDerWaalsContact O-N 3.16Å
160G35.9Very low35.8Very low77 Ų77131.4 Ų131.479%0.79475%0.746SS**PPolyproline II helixtrans-63.3160.4-167.600000116.2
161M28.6Very low35.7Very low184 Ų184137.3 Ų137.391%0.90676%0.763SS**  trans-134.1118.8158.9-106.186.4133.600109.4
162N31.6Very low35.7Very low156 Ų156143.9 Ų143.983%0.83479%0.785SS**  trans-55.3135.3147.7-97.9-3.3000109
163N33.9Very low35.3Very low170 Ų170153.5 Ų153.591%0.90981%0.806SS**  trans-158.9125.2136.7-123.231.4000110.4
164G27.5Very low34.8Very low61 Ų61146 Ų14663%0.62980%0.798SS**  trans-88.1144.3177.800000113.3
165F29.4Very low34.9Very low210 Ų210145.8 Ų145.892%0.92181%0.808SS**  trans54.4164.5147.7-73.6-79.2000120.7
166P42Very low35.1Very low120 Ų120144.8 Ų144.878%0.77981%0.814SS**  cis-129.3167.5-1928.8-8.6000112.8
167G29.8Very low35.2Very low72 Ų72147.6 Ų147.674%0.74282%0.819SS**  trans175.395.417000000117.8
168E32.7Very low35.6Very low198 Ų198144.9 Ų144.993%0.92582%0.818SS**  trans66.1121.9135.5-139.4145.6125.900121.7
169G35.9Very low36.2Very low71 Ų71147.9 Ų147.973%0.73282%0.821SS**  trans-69.2142.7-178.200000114.7
170R38.3Very low36.6Very low240 Ų240155.9 Ų155.991%0.90683%0.831SS**  trans-137.8116.8148.6-82.2-169.1173.9-177.2-2.7110.3R172R170-R172 PolarHBondContact O-N 3.12Å
171R39.5Very low37.1Very low255 Ų255160.2 Ų160.296%0.96284%0.835SS**  trans-57.9115.4167.1-62.7-177.9178.5-169.6-0.5108.7
172R40.1Very low37.8Very low242 Ų242154.5 Ų154.591%0.91382%0.823SS**  trans-114.6107.4163.3-88.5-167.9171.6-169.4-0.5110.3R170R170-R172 PolarHBondContact O-N 3.12Å
173R35.3Very low38.8Very low251 Ų251152.4 Ų152.495%0.94782%0.816SS**  trans-12.1114.7155.4-155.5165.593-178.510.8113.9
174G33Very low39.9Very low66 Ų66152 Ų15268%0.6881%0.814SS**  trans-66.8151.4174.300000112.4
175P43.1Very low41.6Very low128 Ų128159.7 Ų159.783%0.83182%0.824SS**  trans-84.7148.4164.425.6-13.6000110.7
176T42.3Very low43.6Very low121 Ų121155.1 Ų155.174%0.74280%0.804SS**  trans-44.7150.7176.945.50000115S178T176-S178 PolarHBondContact O-N 2.97Å
177P41Very low45.4Very low133 Ų133156.1 Ų156.186%0.86480%0.798SS**  trans-72.991.2173.230-30.2000109.5E179P177-E179 PolarHBondContact O-N 2.97Å
178S43.5Very low47.8Very low92 Ų92156.2 Ų156.264%0.64378%0.779SS**  trans-71.4120.4156.969.70000106.9T176 R180T176-S178 PolarHBondContact O-N 2.97Å; S178-R180 PolarHBondContact O-N 3Å
179E44.9Very low50.2Low191 Ų191150.5 Ų150.589%0.89376%0.755SS**  trans-42.799.9169.7-67.4172.7144.800110.1P177 L181P177-E179 PolarHBondContact O-N 2.97Å; E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.29Å
180R40.8Very low52.7Low236 Ų236150.9 Ų150.989%0.89175%0.751SS**  trans-74.595.4166.8-70.3-175.1179.7-168.8-0.5105.2S178 G182S178-R180 PolarHBondContact O-N 3Å; R180-G182 PolarHBondContact O-N 3.4Å
181L45.1Very low55.2Low167 Ų167143 Ų14387%0.87473%0.731SS**  trans-53.897.9158.7-150.783.8000105.7E179 T183E179-L181 VanDerWaalsContact C-N 3.29Å; E179-L181 PolarHBondContact O-N 3.29Å; L181-T183 PolarHBondContact O-N 3.42Å
182G44.5Very low57.8Low65 Ų65133.8 Ų133.867%0.6770%0.703SS**  trans-60.7104.9-179.200000107.1R180 N184R180-G182 PolarHBondContact O-N 3.4Å; G182-N184 VanDerWaalsContact C-N 3.27Å; G182-N184 PolarHBondContact O-N 2.85Å
183T52.6Low60.4Low111 Ų111126.6 Ų126.668%0.68169%0.686SS**  trans-58.2103.7162.953.30000105L181 R185L181-T183 PolarHBondContact O-N 3.42Å; T183-R185 PolarHBondContact O-N 2.93Å
184N56.6Low63.3Low163 Ų163118.2 Ų118.287%0.87266%0.657SS**  trans-69.578.1179.2-145.47.5000106.6G182 K186G182-N184 VanDerWaalsContact C-N 3.27Å; G182-N184 PolarHBondContact O-N 2.85Å; N184-K186 PolarHBondContact O-N 3.37Å
185R63.7Low66.3Low222 Ų222121.1 Ų121.184%0.83865%0.653SS**  trans-70.2101.6-178.9-77.6-176.2175-174.4-3.2106T183 H187T183-R185 PolarHBondContact O-N 2.93Å; R185-H187 PolarHBondContact O-N 3.49Å
186K71.9Confident68.9Low113 Ų113115.7 Ų115.749%0.49162%0.617SS.*PPolyproline II helixtrans-50.1129.8174.3-60.8-168.7-174.2-166.30109N184 P256 E257 I259N184-K186 PolarHBondContact O-N 3.37Å; K186-P256 VanDerWaalsContact CE-O 3.3Å; K186-P256 WeakPolarHBondContact CE-O 3.18Å; K186-P256 PolarHBondContact NZ-O 3.08Å; K186-E257 WeakPolarHBondContact CB-O 3.45Å; K186-I259 HydrophobicContact CB-CD1 4.31Å; K186-I259 HydrophobicContact CB-CG1 3.83Å; K186-I259 WeakPolarHBondContact O-CD1 3.11Å
187H78.2Confident71.5Confident141 Ų141116.1 Ų116.165%0.65361%0.609SS**EExtended strand (participates in β ladder)trans-85.5139.2179.7-176.9-93.1000109.4R185 I259R185-H187 PolarHBondContact O-N 3.49Å; H187-I259 PolarHBondContact O-N 3.05Å
188Q81.6Confident74.2Confident75 Ų75109.8 Ų109.835%0.3557%0.567SS.*EExtended strand (participates in β ladder)trans-87.3127.7173.5-169.5174.33.400109.4I259 P260 D262Q188-I259 HydrophobicContact CB-CB 3.92Å; Q188-I259 HydrophobicContact CB-CG2 4.23Å; Q188-I259 HydrophobicContact CG-CB 4.07Å; Q188-I259 HydrophobicContact CG-CG2 3.97Å; Q188-P260 PolarHBondContact NE2-O 3.2Å; Q188-D262 PolarHBondContact NE2-OD1 3.33Å
189D82.3Confident76.8Confident77 Ų77106.3 Ų106.341%0.41254%0.543SS..PPolyproline II helixtrans-67.6157.5178.8-65.8-27.9000111.8N258 A261D189-N258 PolarHBondContact OD2-ND2 2.97Å; D189-A261 HydrophobicContact CB-CB 4.1Å
190A87.8Confident79.3Confident80 Ų8097.4 Ų97.466%0.66150%0.501SS*.PPolyproline II helixtrans-59144.9179.400000111.5V192 A261A190-V192 PolarHBondContact O-N 2.96Å; A190-A261 WeakPolarHBondContact O-CB 3.43Å
191P91.9Very high82Confident74 Ų7489.1 Ų89.148%0.48147%0.473SS..PPolyproline II helixtrans-59.9136.7-179.1-23.833.3000113.1D262 V264P191-D262 CarbonylContact C-O 3.57Å; P191-D262 VanDerWaalsContact CA-O 3.26Å; P191-D262 WeakPolarHBondContact CA-O 3.43Å; P191-D262 HydrophobicContact CB-CB 4.32Å; P191-V264 HydrophobicContact CB-CG2 3.85Å
192V92.9Very high84.5Confident62 Ų6283.8 Ų83.838%0.37644%0.444SS..EExtended strand (participates in β ladder)trans-81.3116.9173.2-1780000108.6A190 A261 D262 I263 V264A190-V192 PolarHBondContact O-N 2.96Å; V192-A261 HydrophobicContact CG2-CB 4.29Å; V192-D262 PolarHBondContact N-O 2.83Å; V192-I263 HydrophobicContact CB-CG1 4.39Å; V192-I263 CarbonylContact O-C 3.55Å; V192-I263 WeakPolarHBondContact O-CA 3.13Å; V192-V264 PolarHBondContact O-N 2.8Å
193V94.9Very high87Confident91 Ų9180.7 Ų80.755%0.55241%0.412SS*.EExtended strand (participates in β ladder)trans-102127.8-175.1-173.80000111.2V264 V266V193-V264 CarbonylContact C-O 3.55Å; V193-V264 VanDerWaalsContact CA-O 3.32Å; V193-V264 WeakPolarHBondContact CA-O 3.42Å; V193-V264 HydrophobicContact CG2-CB 4.44Å; V193-V266 HydrophobicContact CG1-CG2 3.6Å
194H95.8Very high89.2Confident74 Ų7476 Ų7634%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-120.2139.9173.8-67.9-65.5000111.5V264 F265 V266H194-V264 PolarHBondContact N-O 3.45Å; H194-F265 HydrophobicContact CB-CD1 3.64Å; H194-F265 HydrophobicContact CB-CE1 3.61Å; H194-F265 HydrophobicContact CB-CZ 4.48Å; H194-F265 CarbonylContact O-C 3.43Å; H194-F265 VanDerWaalsContact O-CA 3.28Å; H194-F265 WeakPolarHBondContact O-CA 3.48Å; H194-V266 PolarHBondContact O-N 3.2Å
195E97.1Very high91.1Very high127 Ų12773.2 Ų73.259%0.59336%0.363SS*.EExtended strand (participates in β ladder)trans-80.9127.8170.7-63.4-170.115800110.7K268E195-K268 HydrophobicContact CB-CG 4.25Å; E195-K268 HydrophobicContact CG-CG 4.25Å
196L97.4Very high92.6Very high14 Ų1463.7 Ų63.77%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-105.2100.4173.7-175.267.8000109.2V198 K209 I234 I236 F265 V266 K268L196-V198 HydrophobicContact CD2-CG2 4.26Å; L196-V198 HydrophobicContact CG-CG2 3.98Å; L196-K209 HydrophobicContact CD1-CD 3.9Å; L196-K209 HydrophobicContact CG-CD 4.42Å; L196-I234 HydrophobicContact CD1-CD1 4.24Å; L196-I234 HydrophobicContact CD2-CB 4.38Å; L196-I234 HydrophobicContact CD2-CD1 3.89Å; L196-I234 HydrophobicContact CD2-CG2 3.73Å; L196-I236 HydrophobicContact CD2-CD1 4.06Å; L196-I236 HydrophobicContact CD2-CG1 4.39Å; L196-F265 HydrophobicContact CB-CB 4.29Å; L196-F265 HydrophobicContact CB-CD1 4.41Å; L196-V266 PolarHBondContact N-O 2.85Å; L196-K268 PolarHBondContact O-N 3.41Å
197K97.3Very high93.8Very high131 Ų13160 Ų6057%0.5732%0.322SS*.EExtended strand (participates in β ladder)trans-75.6123.1177.1-65.9-177.6-179.5177.50110.8K209 K268K197-K209 PolarHBondContact O-NZ 3.18Å; K197-K268 CarbonylContact C-O 3.56Å; K197-K268 VanDerWaalsContact CA-O 3.31Å; K197-K268 WeakPolarHBondContact CA-O 3.49Å; K197-K268 HydrophobicContact CG-CB 4.47Å
198V97.5Very high94.7Very high0 Ų057.2 Ų57.20%032%0.316CS..EExtended strand (participates in β ladder)trans-129.5131.9-175.6-171.30000109.9L196 E202 I203 I236 L267 K268 K270L196-V198 HydrophobicContact CD2-CG2 4.26Å; L196-V198 HydrophobicContact CG-CG2 3.98Å; V198-E202 WeakPolarHBondContact CA-OE2 3.4Å; V198-E202 HydrophobicContact CG1-CB 3.49Å; V198-E202 VanDerWaalsContact CG1-CB 3.49Å; V198-E202 HydrophobicContact CG1-CG 4.45Å; V198-E202 WeakPolarHBondContact CG1-OE2 3.21Å; V198-I203 HydrophobicContact CB-CD1 4.43Å; V198-I203 HydrophobicContact CB-CG1 4.34Å; V198-I203 HydrophobicContact CG1-CD1 4.3Å; V198-I203 HydrophobicContact CG1-CG1 3.74Å; V198-I236 HydrophobicContact CB-CD1 4.45Å; V198-I236 HydrophobicContact CG1-CD1 3.92Å; V198-I236 HydrophobicContact CG1-CG2 4.35Å; V198-I236 HydrophobicContact CG2-CD1 3.56Å; V198-L267 HydrophobicContact CB-CG 4.42Å; V198-L267 HydrophobicContact CG2-CD1 4.1Å; V198-L267 HydrophobicContact CG2-CG 3.95Å; V198-K268 PolarHBondContact N-O 3.01Å; V198-K270 WeakPolarHBondContact O-CB 3.23Å; V198-K270 PolarHBondContact O-N 3.19Å
199S97.9Very high95.4Very high19 Ų1955.8 Ų55.813%0.13331%0.308CS..  trans-76.3162.7178.8860000112.5E201 E202 I203S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 WeakPolarHBondContact CB-OE2 3.23Å; S199-E201 PolarHBondContact O-N 3.14Å; S199-E201 PolarHBondContact OG-OE2 2.87Å; S199-E202 PolarHBondContact N-OE2 3.45Å; S199-E202 WeakPolarHBondContact O-CB 3.25Å; S199-E202 PolarHBondContact O-N 2.97Å; S199-E202 WeakPolarHBondContact OG-CG 3.21Å; S199-E202 PolarHBondContact OG-N 3.38Å; S199-I203 WeakPolarHBondContact O-CD1 3.35Å; S199-I203 WeakPolarHBondContact O-CG1 3.07Å; S199-I203 PolarHBondContact O-N 2.84Å
200L97.9Very high96.1Very high3 Ų360.5 Ų60.52%0.01632%0.32CS..Hα-helixtrans-64.3-34.3179-61-178.5000111.8I203 F204 H272 F275 R277 L304 L330L200-I203 HydrophobicContact CD2-CD1 4.38Å; L200-I203 PolarHBondContact O-N 2.65Å; L200-F204 WeakPolarHBondContact O-CB 3.25Å; L200-F204 PolarHBondContact O-N 3.32Å; L200-H272 HydrophobicContact CD1-CB 3.8Å; L200-H272 HydrophobicContact CG-CB 4.22Å; L200-F275 HydrophobicContact CD1-CB 3.78Å; L200-R277 HydrophobicContact CD2-CB 3.92Å; L200-R277 HydrophobicContact CD2-CG 4.29Å; L200-L304 HydrophobicContact CB-CD1 4.4Å; L200-L304 HydrophobicContact CB-CD2 3.74Å; L200-L304 HydrophobicContact CD1-CD2 4.45Å; L200-L330 HydrophobicContact CD2-CD1 4.37Å
201E97.4Very high96.4Very high62 Ų6260.4 Ų60.429%0.2931%0.307SS..Hα-helixtrans-67.3-40.6175.3-5285.4167.100111.5S199 I203 F204 H205 H272 L304S199-E201 VanDerWaalsContact C-N 3.27Å; S199-E201 WeakPolarHBondContact CB-OE2 3.23Å; S199-E201 PolarHBondContact O-N 3.14Å; S199-E201 PolarHBondContact OG-OE2 2.87Å; E201-I203 VanDerWaalsContact C-N 3.34Å; E201-F204 WeakPolarHBondContact O-CB 3.35Å; E201-F204 PolarHBondContact O-N 3.35Å; E201-H205 PolarHBondContact O-CD2 2.95Å; E201-H205 PolarHBondContact O-N 2.74Å; E201-H272 IonicContact OE1-CD2 3.91Å; E201-H272 PolarHBondContact OE1-CD2 2.91Å; E201-H272 IonicContact OE1-NE2 3.8Å; E201-H272 PolarHBondContact OE1-NE2 2.86Å; E201-L304 HydrophobicContact CG-CD2 4.49Å
202E97.6Very high96.6Very high56 Ų5663 Ų6326%0.26231%0.31SS..Hα-helixtrans-63.5-39.9173.4-73.1177.1141.700111.3V198 S199 F204 G206 K209V198-E202 WeakPolarHBondContact CA-OE2 3.4Å; V198-E202 HydrophobicContact CG1-CB 3.49Å; V198-E202 VanDerWaalsContact CG1-CB 3.49Å; V198-E202 HydrophobicContact CG1-CG 4.45Å; V198-E202 WeakPolarHBondContact CG1-OE2 3.21Å; S199-E202 PolarHBondContact N-OE2 3.45Å; S199-E202 WeakPolarHBondContact O-CB 3.25Å; S199-E202 PolarHBondContact O-N 2.97Å; S199-E202 WeakPolarHBondContact OG-CG 3.21Å; S199-E202 PolarHBondContact OG-N 3.38Å; E202-F204 VanDerWaalsContact C-N 3.34Å; E202-G206 CarbonylContact O-C 3.46Å; E202-G206 WeakPolarHBondContact O-CA 3.17Å; E202-G206 PolarHBondContact O-N 3.02Å; E202-K209 VanDerWaalsContact CD-NZ 3.28Å; E202-K209 WeakPolarHBondContact OE1-CE 3.43Å; E202-K209 IonicContact OE1-NZ 3.95Å; E202-K209 PolarHBondContact OE1-NZ 2.86Å; E202-K209 WeakPolarHBondContact OE2-CE 3.37Å; E202-K209 IonicContact OE2-NZ 2.59Å; E202-K209 PolarHBondContact OE2-NZ 3.43Å
203I97.4Very high96.6Very high0 Ų060.6 Ų60.60%030%0.296CS..Hα-helixtrans-69.1-34.6174.1-66.7154.8000111.1V198 S199 L200 E201 K238 G239 D269 L330V198-I203 HydrophobicContact CB-CD1 4.43Å; V198-I203 HydrophobicContact CB-CG1 4.34Å; V198-I203 HydrophobicContact CG1-CD1 4.3Å; V198-I203 HydrophobicContact CG1-CG1 3.74Å; S199-I203 WeakPolarHBondContact O-CD1 3.35Å; S199-I203 WeakPolarHBondContact O-CG1 3.07Å; S199-I203 PolarHBondContact O-N 2.84Å; L200-I203 HydrophobicContact CD2-CD1 4.38Å; L200-I203 PolarHBondContact O-N 2.65Å; E201-I203 VanDerWaalsContact C-N 3.34Å; I203-K238 CarbonylContact O-C 3.6Å; I203-K238 VanDerWaalsContact O-CA 3.3Å; I203-K238 WeakPolarHBondContact O-CA 3.34Å; I203-G239 PolarHBondContact O-N 3.28Å; I203-D269 WeakPolarHBondContact CD1-OD1 3.33Å; I203-L330 HydrophobicContact CG2-CD1 4.21Å; I203-L330 HydrophobicContact CG2-CD2 4.2Å
204F97.6Very high96.5Very high13 Ų1360.5 Ų60.56%0.05730%0.295CS..Hα-helixtrans-68.4-49.4-179.3-178.1-95.2000111.8L200 E201 E202 L304 E305 L330 P331L200-F204 WeakPolarHBondContact O-CB 3.25Å; L200-F204 PolarHBondContact O-N 3.32Å; E201-F204 WeakPolarHBondContact O-CB 3.35Å; E201-F204 PolarHBondContact O-N 3.35Å; E202-F204 VanDerWaalsContact C-N 3.34Å; F204-L304 HydrophobicContact CB-CD1 4.26Å; F204-L304 HydrophobicContact CD2-CB 4.32Å; F204-L304 HydrophobicContact CD2-CD1 3.95Å; F204-L304 HydrophobicContact CG-CB 4.29Å; F204-L304 HydrophobicContact CG-CD1 4.31Å; F204-E305 HydrophobicContact CD1-CG 4.33Å; F204-E305 HydrophobicContact CE1-CG 3.39Å; F204-E305 HydrophobicContact CZ-CG 3.59Å; F204-L330 HydrophobicContact CB-CD2 4.02Å; F204-L330 HydrophobicContact CD2-CD2 4.28Å; F204-P331 HydrophobicContact CD2-CG 4.22Å; F204-P331 HydrophobicContact CE2-CG 4.41Å
205H96.4Very high96.4Very high103 Ų10358.2 Ų58.248%0.47728%0.284SS..Hα-helixtrans-87.6-20.7-179.2-63.4-57.7000113.7E201 K238E201-H205 PolarHBondContact O-CD2 2.95Å; E201-H205 PolarHBondContact O-N 2.74Å; H205-K238 WeakPolarHBondContact O-CE 3.49Å; H205-K238 WeakPolarHBondContact O-CG 3.45Å
206G96.4Very high96.1Very high23 Ų2358 Ų5824%0.23728%0.277CS..  trans73.9149.7-163.500000110.7E202 I236E202-G206 CarbonylContact O-C 3.46Å; E202-G206 WeakPolarHBondContact O-CA 3.17Å; E202-G206 PolarHBondContact O-N 3.02Å; G206-I236 CarbonylContact C-O 3.59Å; G206-I236 VanDerWaalsContact CA-O 3.27Å; G206-I236 WeakPolarHBondContact CA-O 3.47Å
207C96.9Very high95.9Very high35 Ų3558.4 Ų58.424%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-155.3171.5178.672.70000111.7I236C207-I236 PolarHBondContact N-O 3.5Å; C207-I236 PolarHBondContact O-N 2.99Å
208T97Very high95.6Very high83 Ų8354.2 Ų54.251%0.50926%0.262SS..EExtended strand (participates in β ladder)trans-116.7122.5168.8-59.80000109N233 I234 V235T208-N233 HydrophobicContact CG2-CB 4.36Å; T208-I234 CarbonylContact C-O 3.58Å; T208-I234 VanDerWaalsContact CA-O 3.31Å; T208-I234 WeakPolarHBondContact CA-O 3.3Å; T208-V235 HydrophobicContact CG2-CG2 4.28Å
209K96Very high95.3Very high45 Ų4555.9 Ų55.920%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-100.6134.3173.2-70.3-166.6-178.1-149.50110.2L196 K197 E202 I234 I236L196-K209 HydrophobicContact CD1-CD 3.9Å; L196-K209 HydrophobicContact CG-CD 4.42Å; K197-K209 PolarHBondContact O-NZ 3.18Å; E202-K209 VanDerWaalsContact CD-NZ 3.28Å; E202-K209 WeakPolarHBondContact OE1-CE 3.43Å; E202-K209 IonicContact OE1-NZ 3.95Å; E202-K209 PolarHBondContact OE1-NZ 2.86Å; E202-K209 WeakPolarHBondContact OE2-CE 3.37Å; E202-K209 IonicContact OE2-NZ 2.59Å; E202-K209 PolarHBondContact OE2-NZ 3.43Å; K209-I234 PolarHBondContact N-O 3.47Å; K209-I234 PolarHBondContact O-N 2.97Å; K209-I236 HydrophobicContact CD-CD1 3.95Å; K209-I236 HydrophobicContact CG-CD1 3.93Å
210R96.3Very high94.7Very high175 Ų17561.3 Ų61.366%0.6631%0.305SS*.EExtended strand (participates in β ladder)trans-102.1115.3176.2-61-17867.3-165.9-1.1108I231 L232R210-I231 HydrophobicContact CB-CG2 3.85Å; R210-I231 HydrophobicContact CG-CG2 4.47Å; R210-L232 CarbonylContact C-O 3.6Å; R210-L232 WeakPolarHBondContact CA-O 3.28Å
211M94.9Very high94.2Very high79 Ų7965.6 Ų65.639%0.38933%0.328SS..EExtended strand (participates in β ladder)trans-111123.7179.9-167.563.8177.400109.9I231 L232 I234 F265M211-I231 CarbonylContact O-C 3.49Å; M211-I231 WeakPolarHBondContact O-CA 3.34Å; M211-L232 PolarHBondContact N-O 3.22Å; M211-L232 PolarHBondContact O-N 2.98Å; M211-I234 HydrophobicContact CB-CD1 4.31Å; M211-F265 HydrophobicContact CB-CE1 4.29Å; M211-F265 HydrophobicContact CB-CZ 4.07Å; M211-F265 HydrophobicContact CG-CE1 3.69Å; M211-F265 HydrophobicContact CG-CZ 3.68Å
212K95.1Very high93.3Very high127 Ų12764.4 Ų64.455%0.55233%0.332SS*.EExtended strand (participates in β ladder)trans-84.6127.7174-171.2-177.7179-170.30108.9D229 K230K212-D229 WeakPolarHBondContact CE-OD2 3.48Å; K212-D229 IonicContact NZ-OD1 3.97Å; K212-D229 IonicContact NZ-OD2 2.65Å; K212-D229 PolarHBondContact NZ-OD2 2.78Å; K212-K230 WeakPolarHBondContact CA-O 2.98Å
213I94.1Very high92.5Very high12 Ų1272.5 Ų72.56%0.06236%0.361CS..EExtended strand (participates in β ladder)trans-114152.3169.463.2162.4000109.2D229 K230 L232 E251 I263 F265I213-D229 WeakPolarHBondContact O-CA 3.48Å; I213-K230 HydrophobicContact CD1-CB 4.44Å; I213-K230 HydrophobicContact CG1-CB 4.08Å; I213-K230 WeakPolarHBondContact CG1-O 3.48Å; I213-K230 PolarHBondContact N-O 3.28Å; I213-K230 PolarHBondContact O-N 3.1Å; I213-L232 HydrophobicContact CD1-CD1 3.92Å; I213-L232 HydrophobicContact CD1-CD2 4.25Å; I213-L232 HydrophobicContact CD1-CG 4.12Å; I213-L232 HydrophobicContact CG1-CD1 4.26Å; I213-L232 HydrophobicContact CG1-CG 4.16Å; I213-L232 HydrophobicContact CG2-CD1 3.83Å; I213-L232 HydrophobicContact CG2-CG 4.31Å; I213-E251 HydrophobicContact CD1-CB 3.98Å; I213-I263 HydrophobicContact CB-CD1 4.36Å; I213-I263 HydrophobicContact CD1-CD1 3.56Å; I213-I263 HydrophobicContact CG2-CD1 4.11Å; I213-F265 HydrophobicContact CG2-CZ 4.47Å
214T93.4Very high92.1Very high89 Ų8974.6 Ų74.655%0.54638%0.376SS..EExtended strand (participates in β ladder)trans-118127.3172.3-58.40000107T227 D229T214-T227 HydrophobicContact CG2-CG2 3.22Å; T214-D229 WeakPolarHBondContact CB-OD1 3.27Å; T214-D229 WeakPolarHBondContact CG2-OD1 3.16Å; T214-D229 PolarHBondContact OG1-OD1 3.35Å
215R92.3Very high91.8Very high26 Ų2677.6 Ų77.610%0.09839%0.39CS..EExtended strand (participates in β ladder)trans-137.5146.3-173.567.8-160.4-176.3148.45.3110.6R217 E228 E251 D253R215-R217 VanDerWaalsContact CD-CZ 3.46Å; R215-R217 HydrophobicContact CG-CG 4.47Å; R215-E228 HydrophobicContact CG-CB 4.49Å; R215-E228 IonicContact CZ-OE1 2.77Å; R215-E228 PolarHBondContact N-O 3.36Å; R215-E228 IonicContact NE-OE1 2.62Å; R215-E228 IonicContact NH2-OE1 2.97Å; R215-E228 PolarHBondContact NH2-OE1 2.86Å; R215-E228 PolarHBondContact O-N 2.97Å; R215-E251 WeakPolarHBondContact CD-O 3.14Å; R215-E251 IonicContact CZ-OE2 3.32Å; R215-E251 IonicContact NE-OE2 3.63Å; R215-E251 VanDerWaalsContact NH1-CD 3.35Å; R215-E251 IonicContact NH1-OE1 3.58Å; R215-E251 IonicContact NH1-OE2 3.78Å; R215-E251 PolarHBondContact NH1-OE2 2.97Å; R215-D253 WeakPolarHBondContact CA-OD1 3.31Å
216R92.1Very high91.6Very high122 Ų12278.2 Ų78.246%0.4639%0.389SS..EExtended strand (participates in β ladder)trans-87.2137.8172.2-67.2-176.8-67.2169.23.2110.6M225 R226 D253 E254R216-M225 HydrophobicContact CB-CE 3.98Å; R216-R226 CarbonylContact C-O 3.41Å; R216-R226 WeakPolarHBondContact CA-O 3.49Å; R216-D253 HydrophobicContact CB-CB 4.45Å; R216-D253 IonicContact CZ-OD2 3.28Å; R216-D253 VanDerWaalsContact CZ-OD2 3.28Å; R216-D253 PolarHBondContact N-OD1 3.02Å; R216-D253 IonicContact NE-OD2 2.83Å; R216-D253 PolarHBondContact NE-OD2 3.27Å; R216-D253 IonicContact NH2-OD2 2.84Å; R216-D253 PolarHBondContact NH2-OD2 2.95Å; R216-E254 PolarHBondContact O-N 3.34Å
217R93.1Very high91.5Very high23 Ų2381.9 Ų81.99%0.08741%0.407CS..EExtended strand (participates in β ladder)trans-128.1143.4178.6-71-68.3175.9-89.516.1110.4R215 M225 R226 K250 G252 E254R215-R217 VanDerWaalsContact CD-CZ 3.46Å; R215-R217 HydrophobicContact CG-CG 4.47Å; R217-M225 WeakPolarHBondContact O-CA 3.31Å; R217-R226 HydrophobicContact CB-CG 4.17Å; R217-R226 PolarHBondContact N-O 3.16Å; R217-R226 PolarHBondContact O-N 2.9Å; R217-K250 PolarHBondContact NH2-O 2.87Å; R217-G252 PolarHBondContact NH1-O 2.82Å; R217-G252 PolarHBondContact NH2-O 2.78Å; R217-E254 WeakPolarHBondContact CD-OE2 3.41Å
218L91.3Very high91.3Very high43 Ų4382.8 Ų82.823%0.22541%0.407CS..EExtended strand (participates in β ladder)trans-76.6131.2175.7-170.664.9000109M225 E254 P256L218-M225 HydrophobicContact CB-SD 4.25Å; L218-M225 HydrophobicContact CD1-SD 3.48Å; L218-M225 WeakPolarHBondContact CD1-SD 3.35Å; L218-M225 HydrophobicContact CG-SD 4.48Å; L218-E254 HydrophobicContact CB-CG 4.42Å; L218-E254 PolarHBondContact N-OE2 3.48Å; L218-P256 HydrophobicContact CD1-CG 3.87Å; L218-P256 HydrophobicContact CD2-CG 4.28Å
219N89.6Confident91.2Very high36 Ų3682.7 Ų82.719%0.19340%0.404CS..  trans-73.5162.1174.6-74.4-38.7000110.8D221 G222 S224 R226N219-D221 WeakPolarHBondContact CB-OD1 3.43Å; N219-D221 PolarHBondContact O-N 3.44Å; N219-G222 PolarHBondContact O-N 2.77Å; N219-S224 WeakPolarHBondContact CB-O 3.38Å; N219-S224 WeakPolarHBondContact CB-OG 2.84Å; N219-S224 PolarHBondContact N-O 3.44Å; N219-S224 PolarHBondContact ND2-OG 3.46Å; N219-R226 WeakPolarHBondContact OD1-CD 3.44Å; N219-R226 WeakPolarHBondContact OD1-CG 3.39Å
220P86.6Confident91.2Very high132 Ų13284 Ų8486%0.85741%0.409SS*.THydrogen-bonded Turntrans-58.5-18.7179.2-25.134.9000114.5G222P220-G222 PolarHBondContact O-N 2.97Å
221D86.6Confident91.2Very high93 Ų9379.5 Ų79.550%0.49740%0.398SS..THydrogen-bonded Turntrans-71.2-7.7174.968.9-2.4000113.7N219 R223 S224N219-D221 WeakPolarHBondContact CB-OD1 3.43Å; N219-D221 PolarHBondContact O-N 3.44Å; D221-R223 PolarHBondContact O-N 2.91Å; D221-R223 VanDerWaalsContact O-N 3.14Å; D221-R223 PolarHBondContact OD1-N 2.91Å; D221-S224 PolarHBondContact OD1-N 2.62Å; D221-S224 PolarHBondContact OD1-OG 3.19Å; D221-S224 WeakPolarHBondContact OD2-CB 3.44Å; D221-S224 PolarHBondContact OD2-N 3.22Å; D221-S224 PolarHBondContact OD2-OG 3.01Å
222G79.4Confident91.3Very high37 Ų3776 Ų7638%0.38138%0.381SS..SBendtrans67.38.8178.600000114.5N219 P220N219-G222 PolarHBondContact O-N 2.77Å; P220-G222 PolarHBondContact O-N 2.97Å
223R81.3Confident91.3Very high226 Ų22674.4 Ų74.485%0.85338%0.378SS*.SBendtrans-132.7-42.4-173.8-68-176.2-177.3-177.21.3113.1D221D221-R223 PolarHBondContact O-N 2.91Å; D221-R223 VanDerWaalsContact O-N 3.14Å; D221-R223 PolarHBondContact OD1-N 2.91Å
224S88.1Confident91.5Very high45 Ų4573.9 Ų73.932%0.31538%0.376SS..  trans-88.5151.6-179.268.70000111.4N219 D221N219-S224 WeakPolarHBondContact CB-O 3.38Å; N219-S224 WeakPolarHBondContact CB-OG 2.84Å; N219-S224 PolarHBondContact N-O 3.44Å; N219-S224 PolarHBondContact ND2-OG 3.46Å; D221-S224 PolarHBondContact OD1-N 2.62Å; D221-S224 PolarHBondContact OD1-OG 3.19Å; D221-S224 WeakPolarHBondContact OD2-CB 3.44Å; D221-S224 PolarHBondContact OD2-N 3.22Å; D221-S224 PolarHBondContact OD2-OG 3.01Å
225M90.5Very high91.7Very high75 Ų7573.8 Ų73.837%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-112.7142.8-177.6-63.1-57.4-66.200109.4R216 R217 L218 E254R216-M225 HydrophobicContact CB-CE 3.98Å; R217-M225 WeakPolarHBondContact O-CA 3.31Å; L218-M225 HydrophobicContact CB-SD 4.25Å; L218-M225 HydrophobicContact CD1-SD 3.48Å; L218-M225 WeakPolarHBondContact CD1-SD 3.35Å; L218-M225 HydrophobicContact CG-SD 4.48Å; M225-E254 WeakPolarHBondContact CE-O 3.33Å
226R92.3Very high91.9Very high116 Ų11672.6 Ų72.644%0.43837%0.37SS..EExtended strand (participates in β ladder)trans-121.7150.2168.570.7173.4-172.5-127.75.4111.2R216 R217 N219 E228R216-R226 CarbonylContact C-O 3.41Å; R216-R226 WeakPolarHBondContact CA-O 3.49Å; R217-R226 HydrophobicContact CB-CG 4.17Å; R217-R226 PolarHBondContact N-O 3.16Å; R217-R226 PolarHBondContact O-N 2.9Å; N219-R226 WeakPolarHBondContact OD1-CD 3.44Å; N219-R226 WeakPolarHBondContact OD1-CG 3.39Å; R226-E228 IonicContact CZ-OE2 3.96Å; R226-E228 IonicContact NE-OE2 3.64Å; R226-E228 IonicContact NH2-OE2 3.32Å; R226-E228 PolarHBondContact NH2-OE2 3.38Å
227T94.1Very high92.1Very high100 Ų10073.2 Ų73.261%0.61338%0.376SS*.EExtended strand (participates in β ladder)trans-93.8130.9170-56.40000108.8T214T214-T227 HydrophobicContact CG2-CG2 3.22Å
228E94.2Very high92.3Very high54 Ų5476.9 Ų76.925%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-128.3134.1-179.1-171-175.5125.700109.5R215 R226R215-E228 HydrophobicContact CG-CB 4.49Å; R215-E228 IonicContact CZ-OE1 2.77Å; R215-E228 PolarHBondContact N-O 3.36Å; R215-E228 IonicContact NE-OE1 2.62Å; R215-E228 IonicContact NH2-OE1 2.97Å; R215-E228 PolarHBondContact NH2-OE1 2.86Å; R215-E228 PolarHBondContact O-N 2.97Å; R226-E228 IonicContact CZ-OE2 3.96Å; R226-E228 IonicContact NE-OE2 3.64Å; R226-E228 IonicContact NH2-OE2 3.32Å; R226-E228 PolarHBondContact NH2-OE2 3.38Å
229D94.7Very high92.6Very high82 Ų8274.8 Ų74.844%0.43938%0.382SS..EExtended strand (participates in β ladder)trans-93.8132.2172-74.6-28.2000110.2K212 I213 T214K212-D229 WeakPolarHBondContact CE-OD2 3.48Å; K212-D229 IonicContact NZ-OD1 3.97Å; K212-D229 IonicContact NZ-OD2 2.65Å; K212-D229 PolarHBondContact NZ-OD2 2.78Å; I213-D229 WeakPolarHBondContact O-CA 3.48Å; T214-D229 WeakPolarHBondContact CB-OD1 3.27Å; T214-D229 WeakPolarHBondContact CG2-OD1 3.16Å; T214-D229 PolarHBondContact OG1-OD1 3.35Å
230K95.3Very high92.9Very high71 Ų7175.4 Ų75.431%0.30938%0.381SS..EExtended strand (participates in β ladder)trans-130.8141.2175.5-174.4169.6174.2-174.70110.9K212 I213 L232 E251K212-K230 WeakPolarHBondContact CA-O 2.98Å; I213-K230 HydrophobicContact CD1-CB 4.44Å; I213-K230 HydrophobicContact CG1-CB 4.08Å; I213-K230 WeakPolarHBondContact CG1-O 3.48Å; I213-K230 PolarHBondContact N-O 3.28Å; I213-K230 PolarHBondContact O-N 3.1Å; K230-L232 HydrophobicContact CD-CD2 4.39Å; K230-L232 HydrophobicContact CG-CD2 4.35Å; K230-E251 WeakPolarHBondContact CD-OE2 3.49Å; K230-E251 IonicContact NZ-OE1 3.02Å; K230-E251 PolarHBondContact NZ-OE1 2.91Å; K230-E251 IonicContact NZ-OE2 2.97Å
231I96.4Very high93.4Very high82 Ų8275.2 Ų75.242%0.42137%0.367SS..EExtended strand (participates in β ladder)trans-98120174.8-58.3174000108.5R210 M211R210-I231 HydrophobicContact CB-CG2 3.85Å; R210-I231 HydrophobicContact CG-CG2 4.47Å; M211-I231 CarbonylContact O-C 3.49Å; M211-I231 WeakPolarHBondContact O-CA 3.34Å
232L96.4Very high93.8Very high5 Ų575.5 Ų75.53%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-94.2128.5173-56.9-176.4000109.4R210 M211 I213 K230 F248 E251 F265R210-L232 CarbonylContact C-O 3.6Å; R210-L232 WeakPolarHBondContact CA-O 3.28Å; M211-L232 PolarHBondContact N-O 3.22Å; M211-L232 PolarHBondContact O-N 2.98Å; I213-L232 HydrophobicContact CD1-CD1 3.92Å; I213-L232 HydrophobicContact CD1-CD2 4.25Å; I213-L232 HydrophobicContact CD1-CG 4.12Å; I213-L232 HydrophobicContact CG1-CD1 4.26Å; I213-L232 HydrophobicContact CG1-CG 4.16Å; I213-L232 HydrophobicContact CG2-CD1 3.83Å; I213-L232 HydrophobicContact CG2-CG 4.31Å; K230-L232 HydrophobicContact CD-CD2 4.39Å; K230-L232 HydrophobicContact CG-CD2 4.35Å; L232-F248 HydrophobicContact CB-CD1 4.27Å; L232-F248 HydrophobicContact CB-CE1 3.91Å; L232-F248 HydrophobicContact CB-CE2 4.33Å; L232-F248 HydrophobicContact CB-CZ 3.94Å; L232-F248 HydrophobicContact CD1-CB 4.14Å; L232-F248 HydrophobicContact CD1-CD1 4.09Å; L232-F248 HydrophobicContact CD1-CD2 3.83Å; L232-F248 HydrophobicContact CD1-CE1 4.47Å; L232-F248 HydrophobicContact CD1-CE2 4.24Å; L232-F248 HydrophobicContact CD1-CG 3.75Å; L232-F248 HydrophobicContact CD2-CD1 3.85Å; L232-F248 HydrophobicContact CD2-CE1 4.24Å; L232-F248 HydrophobicContact CD2-CG 4.28Å; L232-F248 HydrophobicContact CG-CD1 4.29Å; L232-F248 HydrophobicContact CG-CE1 4.43Å; L232-F248 HydrophobicContact CG-CG 4.45Å; L232-E251 HydrophobicContact CD2-CG 4.18Å; L232-F265 HydrophobicContact CD1-CE2 3.75Å; L232-F265 HydrophobicContact CD1-CZ 4.28Å
233N96.7Very high94.6Very high94 Ų9475.3 Ų75.350%0.50336%0.364SS..EExtended strand (participates in β ladder)trans-98.8113177.9-63.3-27.5000109.2T208T208-N233 HydrophobicContact CG2-CB 4.36Å
234I97.3Very high95.4Very high1 Ų166.6 Ų66.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-103.2109.7-179.2-55.5170.3000108.3L196 T208 K209 M211 I236 I246 F248 F265L196-I234 HydrophobicContact CD1-CD1 4.24Å; L196-I234 HydrophobicContact CD2-CB 4.38Å; L196-I234 HydrophobicContact CD2-CD1 3.89Å; L196-I234 HydrophobicContact CD2-CG2 3.73Å; T208-I234 CarbonylContact C-O 3.58Å; T208-I234 VanDerWaalsContact CA-O 3.31Å; T208-I234 WeakPolarHBondContact CA-O 3.3Å; K209-I234 PolarHBondContact N-O 3.47Å; K209-I234 PolarHBondContact O-N 2.97Å; M211-I234 HydrophobicContact CB-CD1 4.31Å; I234-I236 HydrophobicContact CG2-CG1 4.28Å; I234-I246 HydrophobicContact CG2-CB 4.48Å; I234-I246 HydrophobicContact CG2-CD1 4.32Å; I234-I246 HydrophobicContact CG2-CG1 4.11Å; I234-I246 HydrophobicContact CG2-CG2 4.28Å; I234-F248 HydrophobicContact CD1-CE2 4.3Å; I234-F248 HydrophobicContact CG1-CE2 3.76Å; I234-F248 HydrophobicContact CG1-CZ 3.67Å; I234-F265 HydrophobicContact CD1-CB 4.11Å; I234-F265 HydrophobicContact CD1-CD1 3.86Å; I234-F265 HydrophobicContact CD1-CD2 3.63Å; I234-F265 HydrophobicContact CD1-CE1 4.2Å; I234-F265 HydrophobicContact CD1-CE2 3.96Å; I234-F265 HydrophobicContact CD1-CG 3.56Å; I234-F265 HydrophobicContact CD1-CZ 4.24Å; I234-F265 HydrophobicContact CG1-CD2 4.45Å
235V97.1Very high95.8Very high86 Ų8671.6 Ų71.652%0.52135%0.352SS..EExtended strand (participates in β ladder)trans-87.9108.9176.1-177.50000109.2T208 W240T208-V235 HydrophobicContact CG2-CG2 4.28Å; V235-W240 WeakPolarHBondContact O-CH2 3.46Å
236I97.4Very high96.1Very high2 Ų269.3 Ų69.31%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-90.6115.3176.7-62.1157.5000108.1L196 V198 G206 C207 K209 I234 W240 L267L196-I236 HydrophobicContact CD2-CD1 4.06Å; L196-I236 HydrophobicContact CD2-CG1 4.39Å; V198-I236 HydrophobicContact CB-CD1 4.45Å; V198-I236 HydrophobicContact CG1-CD1 3.92Å; V198-I236 HydrophobicContact CG1-CG2 4.35Å; V198-I236 HydrophobicContact CG2-CD1 3.56Å; G206-I236 CarbonylContact C-O 3.59Å; G206-I236 VanDerWaalsContact CA-O 3.27Å; G206-I236 WeakPolarHBondContact CA-O 3.47Å; C207-I236 PolarHBondContact N-O 3.5Å; C207-I236 PolarHBondContact O-N 2.99Å; K209-I236 HydrophobicContact CD-CD1 3.95Å; K209-I236 HydrophobicContact CG-CD1 3.93Å; I234-I236 HydrophobicContact CG2-CG1 4.28Å; I236-W240 HydrophobicContact CB-CE3 4.42Å; I236-W240 HydrophobicContact CG1-CZ3 4.5Å; I236-W240 HydrophobicContact CG2-CE3 4.09Å; I236-L267 HydrophobicContact CG2-CD1 4.09Å
237K96.5Very high96.3Very high135 Ų13567.2 Ų67.259%0.58734%0.341SS*.  trans-83.6155177.9-50.4-179.2177.1-179.60111G239 W240K237-G239 PolarHBondContact O-N 3.25Å; K237-W240 HydrophobicContact CB-CD2 4.4Å; K237-W240 HydrophobicContact CB-CG 4.4Å; K237-W240 HydrophobicContact CB-CZ2 4.31Å; K237-W240 HydrophobicContact CD-CZ2 4.14Å; K237-W240 HydrophobicContact CG-CZ2 3.85Å; K237-W240 WeakPolarHBondContact O-CB 3.15Å; K237-W240 PolarHBondContact O-N 3.01Å
238K97.6Very high96.5Very high99 Ų9964.1 Ų64.143%0.4332%0.319SS..THydrogen-bonded Turntrans-52.4134.1177.2-66.1-177.4177.5-178.90111.6I203 H205 W240 P331 P336I203-K238 CarbonylContact O-C 3.6Å; I203-K238 VanDerWaalsContact O-CA 3.3Å; I203-K238 WeakPolarHBondContact O-CA 3.34Å; H205-K238 WeakPolarHBondContact O-CE 3.49Å; H205-K238 WeakPolarHBondContact O-CG 3.45Å; K238-W240 VanDerWaalsContact C-N 3.25Å; K238-W240 PolarHBondContact O-N 2.81Å; K238-P331 HydrophobicContact CB-CB 4.26Å; K238-P331 HydrophobicContact CB-CG 4.31Å; K238-P336 HydrophobicContact CB-CB 4.15Å; K238-P336 HydrophobicContact CD-CB 4.35Å
239G96.5Very high96.5Very high0 Ų065.7 Ų65.70%033%0.334CS..THydrogen-bonded Turntrans73.67.7173.800000115.6I203 K237 K241 P331 P333I203-G239 PolarHBondContact O-N 3.28Å; K237-G239 PolarHBondContact O-N 3.25Å; G239-K241 PolarHBondContact O-N 3.11Å; G239-P331 WeakPolarHBondContact CA-O 3.45Å; G239-P333 WeakPolarHBondContact O-CB 3.34Å; G239-P333 WeakPolarHBondContact O-CD 3.49Å; G239-P333 VanDerWaalsContact O-CG 3.3Å; G239-P333 WeakPolarHBondContact O-CG 3.46Å
240W97.1Very high96.5Very high48 Ų4867.5 Ų67.518%0.18234%0.338CS..PPolyproline II helixtrans-53.7133.1177-90.213.1000112.4V235 I236 K237 K238 T244 I246 L267 R277V235-W240 WeakPolarHBondContact O-CH2 3.46Å; I236-W240 HydrophobicContact CB-CE3 4.42Å; I236-W240 HydrophobicContact CG1-CZ3 4.5Å; I236-W240 HydrophobicContact CG2-CE3 4.09Å; K237-W240 HydrophobicContact CB-CD2 4.4Å; K237-W240 HydrophobicContact CB-CG 4.4Å; K237-W240 HydrophobicContact CB-CZ2 4.31Å; K237-W240 HydrophobicContact CD-CZ2 4.14Å; K237-W240 HydrophobicContact CG-CZ2 3.85Å; K237-W240 WeakPolarHBondContact O-CB 3.15Å; K237-W240 PolarHBondContact O-N 3.01Å; K238-W240 VanDerWaalsContact C-N 3.25Å; K238-W240 PolarHBondContact O-N 2.81Å; W240-T244 HydrophobicContact CD2-CG2 4.01Å; W240-T244 HydrophobicContact CE3-CG2 3.89Å; W240-T244 HydrophobicContact CZ3-CG2 4.16Å; W240-I246 HydrophobicContact CH2-CG1 4.09Å; W240-I246 HydrophobicContact CZ3-CD1 3.88Å; W240-I246 HydrophobicContact CZ3-CG1 3.79Å; W240-L267 HydrophobicContact CB-CD1 4.11Å; W240-L267 HydrophobicContact CE3-CD1 3.88Å; W240-R277 VanDerWaalsContact O-CZ 3.28Å; W240-R277 PolarHBondContact O-NH1 3.47Å; W240-R277 PolarHBondContact O-NH2 2.77Å
241K96Very high96.4Very high129 Ų12965.1 Ų65.156%0.56133%0.328SS*.PPolyproline II helixtrans-76.9150.1-178.8-62.4-174.2179-173.50110.6G239 T244 P333G239-K241 PolarHBondContact O-N 3.11Å; K241-T244 WeakPolarHBondContact O-CB 3.33Å; K241-T244 PolarHBondContact O-N 2.69Å; K241-T244 PolarHBondContact O-OG1 2.85Å; K241-P333 HydrophobicContact CG-CG 4.39Å
242E95.4Very high96.2Very high98 Ų9861.4 Ų61.446%0.45831%0.31SS..THydrogen-bonded Turntrans-53.9142.6167.7-163.7-169.6152.900110.1T244 K268E242-T244 VanDerWaalsContact C-N 3.33Å; E242-K268 HydrophobicContact CG-CD 4.01Å; E242-K268 WeakPolarHBondContact OE1-CD 3.33Å; E242-K268 IonicContact OE1-NZ 2.65Å; E242-K268 PolarHBondContact OE1-NZ 2.78Å
243G96.2Very high95.9Very high34 Ų3463.8 Ų63.835%0.35132%0.323SS..THydrogen-bonded Turntrans87.4-4.5-179.500000114.7K245 L267G243-K245 PolarHBondContact O-N 3.36Å; G243-L267 PolarHBondContact N-O 2.65Å
244T97.3Very high95.6Very high42 Ų4262.3 Ų62.326%0.25831%0.313SS..  trans-55.7125.2172.6-58.90000109.8W240 K241 E242 L267W240-T244 HydrophobicContact CD2-CG2 4.01Å; W240-T244 HydrophobicContact CE3-CG2 3.89Å; W240-T244 HydrophobicContact CZ3-CG2 4.16Å; K241-T244 WeakPolarHBondContact O-CB 3.33Å; K241-T244 PolarHBondContact O-N 2.69Å; K241-T244 PolarHBondContact O-OG1 2.85Å; E242-T244 VanDerWaalsContact C-N 3.33Å; T244-L267 PolarHBondContact O-N 3.31Å
245K97.4Very high95Very high151 Ų15164.3 Ų64.366%0.65733%0.325SS*.EExtended strand (participates in β ladder)trans-97.7133.1-178.4-59-170.8180178.50110.8G243 V264 F265 V266G243-K245 PolarHBondContact O-N 3.36Å; K245-V264 HydrophobicContact CB-CG1 4.01Å; K245-V264 HydrophobicContact CD-CG1 4.29Å; K245-V264 HydrophobicContact CG-CG1 4.37Å; K245-F265 CarbonylContact C-O 3.54Å; K245-F265 WeakPolarHBondContact CA-O 3.44Å; K245-V266 HydrophobicContact CG-CG2 4.28Å
246I97.1Very high94.3Very high26 Ų2663.2 Ų63.213%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-118.5110.3175.2-53.790.5000107.7I234 W240 F248 V264 F265I234-I246 HydrophobicContact CG2-CB 4.48Å; I234-I246 HydrophobicContact CG2-CD1 4.32Å; I234-I246 HydrophobicContact CG2-CG1 4.11Å; I234-I246 HydrophobicContact CG2-CG2 4.28Å; W240-I246 HydrophobicContact CH2-CG1 4.09Å; W240-I246 HydrophobicContact CZ3-CD1 3.88Å; W240-I246 HydrophobicContact CZ3-CG1 3.79Å; I246-F248 HydrophobicContact CG2-CD2 4.42Å; I246-F248 HydrophobicContact CG2-CE2 3.69Å; I246-F248 HydrophobicContact CG2-CZ 4.09Å; I246-V264 CarbonylContact O-C 3.51Å; I246-V264 WeakPolarHBondContact O-CA 3.39Å; I246-F265 HydrophobicContact CB-CB 4.34Å; I246-F265 HydrophobicContact CD1-CB 4.44Å; I246-F265 PolarHBondContact N-O 2.86Å; I246-F265 PolarHBondContact O-N 2.75Å
247T96.7Very high93.7Very high72 Ų7271 Ų7144%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-99.9130.9-176.4-55.50000110.9D262 I263 V264T247-D262 HydrophobicContact CG2-CB 3.89Å; T247-I263 CarbonylContact C-O 3.58Å; T247-V264 HydrophobicContact CG2-CG2 4.06Å
248F96.5Very high93.2Very high35 Ų3565.3 Ų65.315%0.15433%0.332CS..EExtended strand (participates in β ladder)trans-110.9105.8168.6-64.1-93.8000108.7L232 I234 I246 E251 I263 F265L232-F248 HydrophobicContact CB-CD1 4.27Å; L232-F248 HydrophobicContact CB-CE1 3.91Å; L232-F248 HydrophobicContact CB-CE2 4.33Å; L232-F248 HydrophobicContact CB-CZ 3.94Å; L232-F248 HydrophobicContact CD1-CB 4.14Å; L232-F248 HydrophobicContact CD1-CD1 4.09Å; L232-F248 HydrophobicContact CD1-CD2 3.83Å; L232-F248 HydrophobicContact CD1-CE1 4.47Å; L232-F248 HydrophobicContact CD1-CE2 4.24Å; L232-F248 HydrophobicContact CD1-CG 3.75Å; L232-F248 HydrophobicContact CD2-CD1 3.85Å; L232-F248 HydrophobicContact CD2-CE1 4.24Å; L232-F248 HydrophobicContact CD2-CG 4.28Å; L232-F248 HydrophobicContact CG-CD1 4.29Å; L232-F248 HydrophobicContact CG-CE1 4.43Å; L232-F248 HydrophobicContact CG-CG 4.45Å; I234-F248 HydrophobicContact CD1-CE2 4.3Å; I234-F248 HydrophobicContact CG1-CE2 3.76Å; I234-F248 HydrophobicContact CG1-CZ 3.67Å; I246-F248 HydrophobicContact CG2-CD2 4.42Å; I246-F248 HydrophobicContact CG2-CE2 3.69Å; I246-F248 HydrophobicContact CG2-CZ 4.09Å; F248-E251 HydrophobicContact CB-CB 4.13Å; F248-E251 HydrophobicContact CB-CG 3.53Å; F248-I263 PolarHBondContact N-O 2.84Å; F248-I263 PolarHBondContact O-N 2.79Å; F248-F265 AromaticContact CD2-CD2 3.74Å; F248-F265 HydrophobicContact CD2-CD2 3.74Å; F248-F265 AromaticContact CD2-CE2 3.83Å; F248-F265 HydrophobicContact CD2-CE2 3.83Å; F248-F265 AromaticContact CE2-CD2 3.6Å; F248-F265 HydrophobicContact CE2-CD2 3.6Å; F248-F265 AromaticContact CE2-CE2 3.84Å; F248-F265 HydrophobicContact CE2-CE2 3.84Å
249P95.4Very high92.7Very high88 Ų8863.1 Ų63.157%0.57133%0.325SS*.THydrogen-bonded Turntrans-69.6138.3-170.327.2-34.1000111.5E251 D262P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.12Å; P249-D262 VanDerWaalsContact CA-OD1 3.23Å; P249-D262 WeakPolarHBondContact CA-OD1 3.45Å
250K93.5Very high92.5Very high119 Ų11963.7 Ų63.752%0.51733%0.329SS..THydrogen-bonded Turntrans54.430.1174.8-56.3179.4-178.4178.90114.6R217 I259 P260 A261 D262R217-K250 PolarHBondContact NH2-O 2.87Å; K250-I259 HydrophobicContact CD-CG2 4.28Å; K250-I259 HydrophobicContact CG-CG2 4.43Å; K250-P260 HydrophobicContact CB-CB 4.04Å; K250-A261 CarbonylContact C-O 3.53Å; K250-A261 WeakPolarHBondContact CA-O 3.44Å; K250-D262 PolarHBondContact N-OD1 3.07Å
251E94.4Very high92.3Very high21 Ų2161.7 Ų61.710%0.09832%0.322CS..  trans-88.1-9.5178-73.8-59.5155.700113.7I213 R215 K230 L232 F248 P249 A261 I263I213-E251 HydrophobicContact CD1-CB 3.98Å; R215-E251 WeakPolarHBondContact CD-O 3.14Å; R215-E251 IonicContact CZ-OE2 3.32Å; R215-E251 IonicContact NE-OE2 3.63Å; R215-E251 VanDerWaalsContact NH1-CD 3.35Å; R215-E251 IonicContact NH1-OE1 3.58Å; R215-E251 IonicContact NH1-OE2 3.78Å; R215-E251 PolarHBondContact NH1-OE2 2.97Å; K230-E251 WeakPolarHBondContact CD-OE2 3.49Å; K230-E251 IonicContact NZ-OE1 3.02Å; K230-E251 PolarHBondContact NZ-OE1 2.91Å; K230-E251 IonicContact NZ-OE2 2.97Å; L232-E251 HydrophobicContact CD2-CG 4.18Å; F248-E251 HydrophobicContact CB-CB 4.13Å; F248-E251 HydrophobicContact CB-CG 3.53Å; P249-E251 PolarHBondContact O-N 3.42Å; P249-E251 VanDerWaalsContact O-N 3.12Å; E251-A261 PolarHBondContact N-O 3.09Å; E251-A261 VanDerWaalsContact N-O 3.17Å; E251-I263 HydrophobicContact CB-CB 4.14Å; E251-I263 HydrophobicContact CB-CD1 3.71Å; E251-I263 HydrophobicContact CB-CG1 3.81Å; E251-I263 WeakPolarHBondContact O-CD1 3.13Å
252G91.4Very high92.2Very high5 Ų557.3 Ų57.35%0.05231%0.305CS..SBendtrans-71.9-170.9175.200000113.8R217 A261R217-G252 PolarHBondContact NH1-O 2.82Å; R217-G252 PolarHBondContact NH2-O 2.78Å; G252-A261 WeakPolarHBondContact CA-O 3.21Å; G252-A261 PolarHBondContact N-O 3.31Å
253D91.1Very high92.2Very high54 Ų5453.1 Ų53.129%0.28929%0.285SS..  trans-68.7135.4-179.9-82.6-3.2000112.3R215 R216 N258R215-D253 WeakPolarHBondContact CA-OD1 3.31Å; R216-D253 HydrophobicContact CB-CB 4.45Å; R216-D253 IonicContact CZ-OD2 3.28Å; R216-D253 VanDerWaalsContact CZ-OD2 3.28Å; R216-D253 PolarHBondContact N-OD1 3.02Å; R216-D253 IonicContact NE-OD2 2.83Å; R216-D253 PolarHBondContact NE-OD2 3.27Å; R216-D253 IonicContact NH2-OD2 2.84Å; R216-D253 PolarHBondContact NH2-OD2 2.95Å; D253-N258 PolarHBondContact O-ND2 3.29Å; D253-N258 VanDerWaalsContact O-ND2 3.16Å
254E89.1Confident92.3Very high63 Ų6352 Ų5229%0.29427%0.272SS..  trans-99.4145.1173.2-171.7171.8-148.300110.3R216 R217 L218 M225 P260R216-E254 PolarHBondContact O-N 3.34Å; R217-E254 WeakPolarHBondContact CD-OE2 3.41Å; L218-E254 HydrophobicContact CB-CG 4.42Å; L218-E254 PolarHBondContact N-OE2 3.48Å; M225-E254 WeakPolarHBondContact CE-O 3.33Å; E254-P260 HydrophobicContact CB-CG 3.75Å; E254-P260 HydrophobicContact CG-CG 3.86Å
255T85.4Confident92.3Very high44 Ų4450.1 Ų50.127%0.2726%0.26SS..  trans-141.6166.8173700000109E257 N258T255-E257 PolarHBondContact O-N 3.28Å; T255-E257 VanDerWaalsContact O-N 3.14Å; T255-E257 PolarHBondContact OG1-N 3.35Å; T255-N258 WeakPolarHBondContact CA-OD1 3.33Å; T255-N258 WeakPolarHBondContact CB-OD1 3.22Å; T255-N258 PolarHBondContact N-OD1 2.81Å; T255-N258 PolarHBondContact O-OD1 3.45Å; T255-N258 PolarHBondContact OG1-N 2.88Å; T255-N258 PolarHBondContact OG1-OD1 3.49Å
256P82.6Confident92.4Very high63 Ų6344 Ų4441%0.40924%0.236SC..SBendtrans-57.8-26.7176.3-26.436000114.2K186 L218K186-P256 VanDerWaalsContact CE-O 3.3Å; K186-P256 WeakPolarHBondContact CE-O 3.18Å; K186-P256 PolarHBondContact NZ-O 3.08Å; L218-P256 HydrophobicContact CD1-CG 3.87Å; L218-P256 HydrophobicContact CD2-CG 4.28Å
257E84.2Confident92.4Very high165 Ų16542.8 Ų42.877%0.77123%0.229SC*.SBendtrans-104-19.6-169.4-61-174.717000114.1K186 T255K186-E257 WeakPolarHBondContact CB-O 3.45Å; T255-E257 PolarHBondContact O-N 3.28Å; T255-E257 VanDerWaalsContact O-N 3.14Å; T255-E257 PolarHBondContact OG1-N 3.35Å
258N87Confident92.4Very high15 Ų1542.5 Ų42.58%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-106.5164.4-17681-21000113.2D189 D253 T255D189-N258 PolarHBondContact OD2-ND2 2.97Å; D253-N258 PolarHBondContact O-ND2 3.29Å; D253-N258 VanDerWaalsContact O-ND2 3.16Å; T255-N258 WeakPolarHBondContact CA-OD1 3.33Å; T255-N258 WeakPolarHBondContact CB-OD1 3.22Å; T255-N258 PolarHBondContact N-OD1 2.81Å; T255-N258 PolarHBondContact O-OD1 3.45Å; T255-N258 PolarHBondContact OG1-N 2.88Å; T255-N258 PolarHBondContact OG1-OD1 3.49Å
259I87.2Confident92.4Very high53 Ų5342.8 Ų42.827%0.27223%0.225SC..EExtended strand (participates in β ladder)trans-95.5133158.2-59.7171.9000106.3K186 H187 Q188 K250 A261K186-I259 HydrophobicContact CB-CD1 4.31Å; K186-I259 HydrophobicContact CB-CG1 3.83Å; K186-I259 WeakPolarHBondContact O-CD1 3.11Å; H187-I259 PolarHBondContact O-N 3.05Å; Q188-I259 HydrophobicContact CB-CB 3.92Å; Q188-I259 HydrophobicContact CB-CG2 4.23Å; Q188-I259 HydrophobicContact CG-CB 4.07Å; Q188-I259 HydrophobicContact CG-CG2 3.97Å; K250-I259 HydrophobicContact CD-CG2 4.28Å; K250-I259 HydrophobicContact CG-CG2 4.43Å; I259-A261 PolarHBondContact O-N 3.42Å
260P91.1Very high92.5Very high13 Ų1344.4 Ų44.48%0.08422%0.223CC..PPolyproline II helixtrans-55.3137.2-178.3-25.332.9000112.4Q188 K250 E254Q188-P260 PolarHBondContact NE2-O 3.2Å; K250-P260 HydrophobicContact CB-CB 4.04Å; E254-P260 HydrophobicContact CB-CG 3.75Å; E254-P260 HydrophobicContact CG-CG 3.86Å
261A92.3Very high92.7Very high6 Ų642.4 Ų42.45%0.0524%0.236CC..PPolyproline II helixtrans-62.5155.4175.400000111.8D189 A190 V192 K250 E251 G252 I259D189-A261 HydrophobicContact CB-CB 4.1Å; A190-A261 WeakPolarHBondContact O-CB 3.43Å; V192-A261 HydrophobicContact CG2-CB 4.29Å; K250-A261 CarbonylContact C-O 3.53Å; K250-A261 WeakPolarHBondContact CA-O 3.44Å; E251-A261 PolarHBondContact N-O 3.09Å; E251-A261 VanDerWaalsContact N-O 3.17Å; G252-A261 WeakPolarHBondContact CA-O 3.21Å; G252-A261 PolarHBondContact N-O 3.31Å; I259-A261 PolarHBondContact O-N 3.42Å
262D95.3Very high92.8Very high37 Ų3743.8 Ų43.820%0.19824%0.242CC..PPolyproline II helixtrans-78146.5168-67.6-6.2000110.2Q188 P191 V192 T247 P249 K250Q188-D262 PolarHBondContact NE2-OD1 3.33Å; P191-D262 CarbonylContact C-O 3.57Å; P191-D262 VanDerWaalsContact CA-O 3.26Å; P191-D262 WeakPolarHBondContact CA-O 3.43Å; P191-D262 HydrophobicContact CB-CB 4.32Å; V192-D262 PolarHBondContact N-O 2.83Å; T247-D262 HydrophobicContact CG2-CB 3.89Å; P249-D262 VanDerWaalsContact CA-OD1 3.23Å; P249-D262 WeakPolarHBondContact CA-OD1 3.45Å; K250-D262 PolarHBondContact N-OD1 3.07Å
263I95.7Very high93Very high9 Ų947.9 Ų47.95%0.04628%0.276CS..EExtended strand (participates in β ladder)trans-101.7123.1169.6-63.2-175.5000108.4V192 I213 T247 F248 E251 F265V192-I263 HydrophobicContact CB-CG1 4.39Å; V192-I263 CarbonylContact O-C 3.55Å; V192-I263 WeakPolarHBondContact O-CA 3.13Å; I213-I263 HydrophobicContact CB-CD1 4.36Å; I213-I263 HydrophobicContact CD1-CD1 3.56Å; I213-I263 HydrophobicContact CG2-CD1 4.11Å; T247-I263 CarbonylContact C-O 3.58Å; F248-I263 PolarHBondContact N-O 2.84Å; F248-I263 PolarHBondContact O-N 2.79Å; E251-I263 HydrophobicContact CB-CB 4.14Å; E251-I263 HydrophobicContact CB-CD1 3.71Å; E251-I263 HydrophobicContact CB-CG1 3.81Å; E251-I263 WeakPolarHBondContact O-CD1 3.13Å; I263-F265 HydrophobicContact CG2-CD2 4.22Å; I263-F265 HydrophobicContact CG2-CE2 3.59Å; I263-F265 HydrophobicContact CG2-CZ 3.99Å
264V97.4Very high93.1Very high12 Ų1250.2 Ų50.27%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-116.2119.1-177.4-177.90000109.7P191 V192 V193 H194 K245 I246 T247 V266P191-V264 HydrophobicContact CB-CG2 3.85Å; V192-V264 PolarHBondContact O-N 2.8Å; V193-V264 CarbonylContact C-O 3.55Å; V193-V264 VanDerWaalsContact CA-O 3.32Å; V193-V264 WeakPolarHBondContact CA-O 3.42Å; V193-V264 HydrophobicContact CG2-CB 4.44Å; H194-V264 PolarHBondContact N-O 3.45Å; K245-V264 HydrophobicContact CB-CG1 4.01Å; K245-V264 HydrophobicContact CD-CG1 4.29Å; K245-V264 HydrophobicContact CG-CG1 4.37Å; I246-V264 CarbonylContact O-C 3.51Å; I246-V264 WeakPolarHBondContact O-CA 3.39Å; T247-V264 HydrophobicContact CG2-CG2 4.06Å; V264-V266 HydrophobicContact CG1-CG2 4.37Å
265F98.1Very high93.6Very high2 Ų247.8 Ų47.81%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-92127.9168.7-67.1-87.4000110H194 L196 M211 I213 L232 I234 K245 I246 F248 I263H194-F265 HydrophobicContact CB-CD1 3.64Å; H194-F265 HydrophobicContact CB-CE1 3.61Å; H194-F265 HydrophobicContact CB-CZ 4.48Å; H194-F265 CarbonylContact O-C 3.43Å; H194-F265 VanDerWaalsContact O-CA 3.28Å; H194-F265 WeakPolarHBondContact O-CA 3.48Å; L196-F265 HydrophobicContact CB-CB 4.29Å; L196-F265 HydrophobicContact CB-CD1 4.41Å; M211-F265 HydrophobicContact CB-CE1 4.29Å; M211-F265 HydrophobicContact CB-CZ 4.07Å; M211-F265 HydrophobicContact CG-CE1 3.69Å; M211-F265 HydrophobicContact CG-CZ 3.68Å; I213-F265 HydrophobicContact CG2-CZ 4.47Å; L232-F265 HydrophobicContact CD1-CE2 3.75Å; L232-F265 HydrophobicContact CD1-CZ 4.28Å; I234-F265 HydrophobicContact CD1-CB 4.11Å; I234-F265 HydrophobicContact CD1-CD1 3.86Å; I234-F265 HydrophobicContact CD1-CD2 3.63Å; I234-F265 HydrophobicContact CD1-CE1 4.2Å; I234-F265 HydrophobicContact CD1-CE2 3.96Å; I234-F265 HydrophobicContact CD1-CG 3.56Å; I234-F265 HydrophobicContact CD1-CZ 4.24Å; I234-F265 HydrophobicContact CG1-CD2 4.45Å; K245-F265 CarbonylContact C-O 3.54Å; K245-F265 WeakPolarHBondContact CA-O 3.44Å; I246-F265 HydrophobicContact CB-CB 4.34Å; I246-F265 HydrophobicContact CD1-CB 4.44Å; I246-F265 PolarHBondContact N-O 2.86Å; I246-F265 PolarHBondContact O-N 2.75Å; F248-F265 AromaticContact CD2-CD2 3.74Å; F248-F265 HydrophobicContact CD2-CD2 3.74Å; F248-F265 AromaticContact CD2-CE2 3.83Å; F248-F265 HydrophobicContact CD2-CE2 3.83Å; F248-F265 AromaticContact CE2-CD2 3.6Å; F248-F265 HydrophobicContact CE2-CD2 3.6Å; F248-F265 AromaticContact CE2-CE2 3.84Å; F248-F265 HydrophobicContact CE2-CE2 3.84Å; I263-F265 HydrophobicContact CG2-CD2 4.22Å; I263-F265 HydrophobicContact CG2-CE2 3.59Å; I263-F265 HydrophobicContact CG2-CZ 3.99Å
266V98.1Very high94.1Very high23 Ų2352.8 Ų52.814%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-105.3119174.6-175.50000108.2V193 H194 L196 K245 V264 K268V193-V266 HydrophobicContact CG1-CG2 3.6Å; H194-V266 PolarHBondContact O-N 3.2Å; L196-V266 PolarHBondContact N-O 2.85Å; K245-V266 HydrophobicContact CG-CG2 4.28Å; V264-V266 HydrophobicContact CG1-CG2 4.37Å; V266-K268 PolarHBondContact O-N 2.99Å
267L97.8Very high94.8Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-64.8127.5178.1-170.5150.4000110.1V198 I236 W240 G243 T244V198-L267 HydrophobicContact CB-CG 4.42Å; V198-L267 HydrophobicContact CG2-CD1 4.1Å; V198-L267 HydrophobicContact CG2-CG 3.95Å; I236-L267 HydrophobicContact CG2-CD1 4.09Å; W240-L267 HydrophobicContact CB-CD1 4.11Å; W240-L267 HydrophobicContact CE3-CD1 3.88Å; G243-L267 PolarHBondContact N-O 2.65Å; T244-L267 PolarHBondContact O-N 3.31Å
268K97.7Very high95.4Very high66 Ų6647.9 Ų47.929%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-125.5137.3174.5-72.6-57.5-161.6177.80110E195 L196 K197 V198 E242 V266 K270E195-K268 HydrophobicContact CB-CG 4.25Å; E195-K268 HydrophobicContact CG-CG 4.25Å; L196-K268 PolarHBondContact O-N 3.41Å; K197-K268 CarbonylContact C-O 3.56Å; K197-K268 VanDerWaalsContact CA-O 3.31Å; K197-K268 WeakPolarHBondContact CA-O 3.49Å; K197-K268 HydrophobicContact CG-CB 4.47Å; V198-K268 PolarHBondContact N-O 3.01Å; E242-K268 HydrophobicContact CG-CD 4.01Å; E242-K268 WeakPolarHBondContact OE1-CD 3.33Å; E242-K268 IonicContact OE1-NZ 2.65Å; E242-K268 PolarHBondContact OE1-NZ 2.78Å; V266-K268 PolarHBondContact O-N 2.99Å; K268-K270 PolarHBondContact O-N 2.82Å
269D96.7Very high95.8Very high40 Ų4049.2 Ų49.221%0.21428%0.282CS..EExtended strand (participates in β ladder)trans-68.2131.7175.1-71.8-11.4000109.7I203 R277I203-D269 WeakPolarHBondContact CD1-OD1 3.33Å; D269-R277 IonicContact OD1-NH1 3.79Å; D269-R277 PolarHBondContact OD1-NH1 2.83Å; D269-R277 WeakPolarHBondContact OD2-CB 3.31Å; D269-R277 WeakPolarHBondContact OD2-CD 3.05Å; D269-R277 IonicContact OD2-NE 3.27Å; D269-R277 IonicContact OD2-NH1 2.99Å
270K97.2Very high96.2Very high123 Ų12347.3 Ų47.354%0.53527%0.273SS..PPolyproline II helixtrans-78.3135167.4-173.2-175.5176.2-174.10107.9V198 K268 H272V198-K270 WeakPolarHBondContact O-CB 3.23Å; V198-K270 PolarHBondContact O-N 3.19Å; K268-K270 PolarHBondContact O-N 2.82Å; K270-H272 PolarHBondContact O-N 2.79Å
271G96.3Very high96.6Very high76 Ų7648.8 Ų48.878%0.78428%0.281SS*.PPolyproline II helixtrans-53.3137.7173.200000111.5
272H97.2Very high96.9Very high50 Ų5048.5 Ų48.523%0.23128%0.278CS..  trans-118.4146.8-176.9-176.5-85.7000110.4L200 E201 K270 H274 F275L200-H272 HydrophobicContact CD1-CB 3.8Å; L200-H272 HydrophobicContact CG-CB 4.22Å; E201-H272 IonicContact OE1-CD2 3.91Å; E201-H272 PolarHBondContact OE1-CD2 2.91Å; E201-H272 IonicContact OE1-NE2 3.8Å; E201-H272 PolarHBondContact OE1-NE2 2.86Å; K270-H272 PolarHBondContact O-N 2.79Å; H272-H274 PolarHBondContact ND1-N 2.81Å; H272-H274 VanDerWaalsContact ND1-N 3.15Å; H272-H274 PolarHBondContact O-N 3.24Å; H272-F275 WeakPolarHBondContact CB-O 3.45Å; H272-F275 AromaticContact CE1-CD2 3.08Å; H272-F275 WeakPolarHBondContact CE1-CD2 3.18Å; H272-F275 AromaticContact CE1-CE2 3.59Å; H272-F275 AromaticContact CE1-CG 3.95Å; H272-F275 AromaticContact ND1-CD2 3.33Å; H272-F275 VanDerWaalsContact ND1-CD2 3.33Å; H272-F275 WeakPolarHBondContact ND1-CD2 3.32Å; H272-F275 AromaticContact ND1-CG 3.77Å; H272-F275 PolarHBondContact ND1-N 2.83Å; H272-F275 AromaticContact NE2-CD2 3.89Å
273A95Very high97Very high92 Ų9248.4 Ų48.476%0.7628%0.277SS*.SBendtrans-68-34.2-170.900000113.7
274H94.8Very high97.1Very high103 Ų10349.7 Ų49.748%0.47728%0.282SS..SBendtrans-117-19.5-173-63.3-60000114.6H272 Y284H272-H274 PolarHBondContact ND1-N 2.81Å; H272-H274 VanDerWaalsContact ND1-N 3.15Å; H272-H274 PolarHBondContact O-N 3.24Å; H274-Y284 HydrophobicContact CB-CD2 4.03Å; H274-Y284 HydrophobicContact CB-CE2 3.97Å; H274-Y284 VanDerWaalsContact O-CD2 3.3Å; H274-Y284 WeakPolarHBondContact O-CD2 3.25Å
275F97.6Very high97.1Very high11 Ų1152.8 Ų52.85%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-128.2142.8-165.9-56.1-59.2000110.2L200 H272 I282 I283 Y284 P302 L304 L342L200-F275 HydrophobicContact CD1-CB 3.78Å; H272-F275 WeakPolarHBondContact CB-O 3.45Å; H272-F275 AromaticContact CE1-CD2 3.08Å; H272-F275 WeakPolarHBondContact CE1-CD2 3.18Å; H272-F275 AromaticContact CE1-CE2 3.59Å; H272-F275 AromaticContact CE1-CG 3.95Å; H272-F275 AromaticContact ND1-CD2 3.33Å; H272-F275 VanDerWaalsContact ND1-CD2 3.33Å; H272-F275 WeakPolarHBondContact ND1-CD2 3.32Å; H272-F275 AromaticContact ND1-CG 3.77Å; H272-F275 PolarHBondContact ND1-N 2.83Å; H272-F275 AromaticContact NE2-CD2 3.89Å; F275-I282 HydrophobicContact CB-CB 4.41Å; F275-I282 HydrophobicContact CD1-CD1 4.19Å; F275-I282 HydrophobicContact CD1-CG1 4.49Å; F275-I282 HydrophobicContact CE1-CD1 4.43Å; F275-I282 HydrophobicContact CG-CD1 4.27Å; F275-I283 CarbonylContact C-O 3.09Å; F275-I283 VanDerWaalsContact CA-O 3.25Å; F275-I283 WeakPolarHBondContact CA-O 3.35Å; F275-Y284 AromaticContact CD1-CD2 3.94Å; F275-Y284 HydrophobicContact CD1-CD2 3.94Å; F275-Y284 HydrophobicContact CD1-CG 4.38Å; F275-Y284 AromaticContact CE1-CD2 3.58Å; F275-Y284 HydrophobicContact CE1-CD2 3.58Å; F275-Y284 HydrophobicContact CE1-CG 4.08Å; F275-Y284 HydrophobicContact CZ-CD2 4.43Å; F275-P302 HydrophobicContact CZ-CB 4.42Å; F275-P302 HydrophobicContact CZ-CG 4.11Å; F275-P302 WeakPolarHBondContact CZ-O 3.4Å; F275-L304 HydrophobicContact CD2-CD2 3.61Å; F275-L304 HydrophobicContact CD2-CG 4.34Å; F275-L304 HydrophobicContact CE2-CD2 3.91Å; F275-L304 HydrophobicContact CE2-CG 4.37Å; F275-L342 HydrophobicContact CD1-CD1 4.14Å; F275-L342 HydrophobicContact CE1-CD1 3.89Å
276K96.9Very high97.1Very high150 Ų15052.9 Ų52.965%0.65230%0.299SS*.EExtended strand (participates in β ladder)trans-113133.1166.1-175.2-176.7176-173.90108.2I282 I283K276-I282 CarbonylContact O-C 3.58Å; K276-I282 WeakPolarHBondContact O-CA 3.27Å; K276-I283 HydrophobicContact CB-CB 4.41Å; K276-I283 PolarHBondContact N-O 3.13Å; K276-I283 PolarHBondContact O-N 3.42Å
277R97.4Very high97Very high32 Ų3259.6 Ų59.612%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-74.5140.4176.6-167-175.8-175.5166.63.4110.8L200 W240 D269 G279 L330L200-R277 HydrophobicContact CD2-CB 3.92Å; L200-R277 HydrophobicContact CD2-CG 4.29Å; W240-R277 VanDerWaalsContact O-CZ 3.28Å; W240-R277 PolarHBondContact O-NH1 3.47Å; W240-R277 PolarHBondContact O-NH2 2.77Å; D269-R277 IonicContact OD1-NH1 3.79Å; D269-R277 PolarHBondContact OD1-NH1 2.83Å; D269-R277 WeakPolarHBondContact OD2-CB 3.31Å; D269-R277 WeakPolarHBondContact OD2-CD 3.05Å; D269-R277 IonicContact OD2-NE 3.27Å; D269-R277 IonicContact OD2-NH1 2.99Å; R277-G279 PolarHBondContact NE-O 3.16Å; R277-L330 HydrophobicContact CG-CD1 3.8Å; R277-L330 VanDerWaalsContact NE-CD1 3.3Å
278D96.5Very high97Very high92 Ų9260 Ų6049%0.49233%0.328SS..EExtended strand (participates in β ladder)trans-136.691.6166.7179.529.3000109.3S280 N281 I283D278-S280 PolarHBondContact O-N 3.23Å; D278-S280 VanDerWaalsContact O-N 3.13Å; D278-N281 CarbonylContact C-O 3.56Å; D278-N281 PolarHBondContact N-O 3.11Å; D278-N281 WeakPolarHBondContact O-CA 3.42Å; D278-N281 WeakPolarHBondContact O-CB 3.47Å; D278-N281 PolarHBondContact O-N 3Å; D278-I283 HydrophobicContact CB-CD1 3.93Å; D278-I283 HydrophobicContact CB-CG1 4.22Å
279G95.2Very high97Very high43 Ų4359.8 Ų59.844%0.44333%0.333SS..THydrogen-bonded Turntrans61.2-114.7-172.700000112.6R277R277-G279 PolarHBondContact NE-O 3.16Å
280S97.1Very high96.9Very high14 Ų1460 Ų6010%0.09833%0.333CS..THydrogen-bonded Turntrans-96-7171.9-780000113D278 L330 F332D278-S280 PolarHBondContact O-N 3.23Å; D278-S280 VanDerWaalsContact O-N 3.13Å; S280-L330 PolarHBondContact O-N 3.35Å; S280-F332 WeakPolarHBondContact OG-CD1 3.47Å
281N98.1Very high96.8Very high44 Ų4461.6 Ų61.624%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-86.2160.4172.6-57.9-31.1000110.1D278 D341 I343D278-N281 CarbonylContact C-O 3.56Å; D278-N281 PolarHBondContact N-O 3.11Å; D278-N281 WeakPolarHBondContact O-CA 3.42Å; D278-N281 WeakPolarHBondContact O-CB 3.47Å; D278-N281 PolarHBondContact O-N 3Å; N281-D341 CarbonylContact C-O 3.58Å; N281-D341 WeakPolarHBondContact CA-O 3.16Å; N281-D341 WeakPolarHBondContact CB-O 3.49Å; N281-D341 PolarHBondContact OD1-N 2.83Å; N281-I343 HydrophobicContact CB-CG1 4.35Å
282I97.9Very high96.8Very high0 Ų061.6 Ų61.60%032%0.32CS..EExtended strand (participates in β ladder)trans-127.3139.7169.763.4-177.7000109.1F275 K276 L304 E328 L330 D341 L342 I343F275-I282 HydrophobicContact CB-CB 4.41Å; F275-I282 HydrophobicContact CD1-CD1 4.19Å; F275-I282 HydrophobicContact CD1-CG1 4.49Å; F275-I282 HydrophobicContact CE1-CD1 4.43Å; F275-I282 HydrophobicContact CG-CD1 4.27Å; K276-I282 CarbonylContact O-C 3.58Å; K276-I282 WeakPolarHBondContact O-CA 3.27Å; I282-L304 HydrophobicContact CD1-CD1 3.83Å; I282-L304 HydrophobicContact CD1-CG 3.87Å; I282-L304 HydrophobicContact CG2-CD1 4.36Å; I282-E328 WeakPolarHBondContact CD1-O 2.93Å; I282-L330 HydrophobicContact CG2-CD1 4.27Å; I282-L330 HydrophobicContact CG2-CG 3.9Å; I282-D341 PolarHBondContact N-O 2.83Å; I282-L342 HydrophobicContact CD1-CD1 3.96Å; I282-L342 HydrophobicContact CG1-CB 4.24Å; I282-L342 HydrophobicContact CG1-CD1 3.65Å; I282-L342 CarbonylContact O-C 3.52Å; I282-L342 WeakPolarHBondContact O-CA 3.34Å; I282-I343 PolarHBondContact O-N 3.05Å
283I98.4Very high96.8Very high35 Ų3559.3 Ų59.318%0.17931%0.31CS..EExtended strand (participates in β ladder)trans-105.3123.9-178.8-55.4171.9000108.1F275 K276 D278 I343 E345F275-I283 CarbonylContact C-O 3.09Å; F275-I283 VanDerWaalsContact CA-O 3.25Å; F275-I283 WeakPolarHBondContact CA-O 3.35Å; K276-I283 HydrophobicContact CB-CB 4.41Å; K276-I283 PolarHBondContact N-O 3.13Å; K276-I283 PolarHBondContact O-N 3.42Å; D278-I283 HydrophobicContact CB-CD1 3.93Å; D278-I283 HydrophobicContact CB-CG1 4.22Å; I283-I343 CarbonylContact C-O 3.59Å; I283-I343 VanDerWaalsContact CA-O 3.29Å; I283-I343 WeakPolarHBondContact CA-O 3.33Å; I283-I343 HydrophobicContact CG1-CB 4.29Å; I283-E345 HydrophobicContact CG2-CB 4.12Å
284Y98.1Very high96.9Very high35 Ų3558.5 Ų58.514%0.13729%0.292CS..EExtended strand (participates in β ladder)trans-106.6119.7171.8177.9-102.6000109.5H274 F275 C286 I301 P302 I343 V344 E345H274-Y284 HydrophobicContact CB-CD2 4.03Å; H274-Y284 HydrophobicContact CB-CE2 3.97Å; H274-Y284 VanDerWaalsContact O-CD2 3.3Å; H274-Y284 WeakPolarHBondContact O-CD2 3.25Å; F275-Y284 AromaticContact CD1-CD2 3.94Å; F275-Y284 HydrophobicContact CD1-CD2 3.94Å; F275-Y284 HydrophobicContact CD1-CG 4.38Å; F275-Y284 AromaticContact CE1-CD2 3.58Å; F275-Y284 HydrophobicContact CE1-CD2 3.58Å; F275-Y284 HydrophobicContact CE1-CG 4.08Å; F275-Y284 HydrophobicContact CZ-CD2 4.43Å; Y284-C286 HydrophobicContact CD1-CB 3.97Å; Y284-C286 HydrophobicContact CE1-CB 3.8Å; Y284-C286 PolarHBondContact O-N 2.96Å; Y284-I301 HydrophobicContact CD1-CG1 4.5Å; Y284-I301 HydrophobicContact CD1-CG2 3.67Å; Y284-I301 HydrophobicContact CD2-CG2 4.37Å; Y284-I301 HydrophobicContact CE1-CG1 4.42Å; Y284-I301 HydrophobicContact CE1-CG2 3.97Å; Y284-I301 HydrophobicContact CG-CG2 3.89Å; Y284-P302 HydrophobicContact CD2-CG 4.41Å; Y284-P302 HydrophobicContact CE2-CG 3.8Å; Y284-I343 PolarHBondContact N-O 2.9Å; Y284-V344 HydrophobicContact CD1-CG1 4.39Å; Y284-V344 WeakPolarHBondContact O-CA 3.3Å; Y284-E345 PolarHBondContact O-N 3.14Å
285N97.3Very high96.8Very high78 Ų7858.4 Ų58.442%0.41730%0.302SS..EExtended strand (participates in β ladder)trans-82.8101.9175.5-174.8-9.3000109.5E345 S347N285-E345 CarbonylContact C-O 3.29Å; N285-S347 WeakPolarHBondContact OD1-CB 3.46Å
286C97.2Very high96.7Very high4 Ų458.9 Ų58.93%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-88.4114.7178.5-179.10000110.3Y284 V299 V344 E345 F346 S347Y284-C286 HydrophobicContact CD1-CB 3.97Å; Y284-C286 HydrophobicContact CE1-CB 3.8Å; Y284-C286 PolarHBondContact O-N 2.96Å; C286-V299 WeakPolarHBondContact SG-CG1 3.2Å; C286-V344 HydrophobicContact CB-CG1 3.61Å; C286-E345 PolarHBondContact N-O 3.34Å; C286-F346 HydrophobicContact CB-CD1 4.14Å; C286-F346 HydrophobicContact CB-CE1 4.28Å; C286-F346 WeakPolarHBondContact O-CA 3.47Å; C286-S347 PolarHBondContact O-N 2.76Å
287K96.8Very high96.6Very high164 Ų16452.7 Ų52.771%0.71329%0.285SS*.EExtended strand (participates in β ladder)trans-90.9119.5174.4-64.3178.7-177.51770109.4S347K287-S347 WeakPolarHBondContact CA-O 3.26Å
288I97.3Very high96.6Very high7 Ų755.1 Ų55.14%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-122.4154.4174.662.2171.2000110.3E292 A293 V299 I317 F346 S347 V348 R349I288-E292 HydrophobicContact CB-CB 4.18Å; I288-A293 HydrophobicContact CD1-CB 3.71Å; I288-A293 HydrophobicContact CG1-CB 4.36Å; I288-V299 HydrophobicContact CG2-CG2 4.15Å; I288-I317 HydrophobicContact CD1-CB 3.93Å; I288-I317 HydrophobicContact CD1-CD1 3.77Å; I288-I317 HydrophobicContact CD1-CG1 4.46Å; I288-I317 HydrophobicContact CD1-CG2 3.81Å; I288-F346 HydrophobicContact CD1-CD1 3.78Å; I288-F346 HydrophobicContact CD1-CE1 4.38Å; I288-F346 HydrophobicContact CG1-CD1 4.22Å; I288-F346 HydrophobicContact CG2-CD1 4.1Å; I288-F346 HydrophobicContact CG2-CE1 4.26Å; I288-S347 PolarHBondContact N-O 3.18Å; I288-V348 HydrophobicContact CD1-CG2 4.3Å; I288-V348 HydrophobicContact CG1-CG2 4.16Å; I288-V348 CarbonylContact O-C 3.28Å; I288-V348 WeakPolarHBondContact O-CA 3.38Å; I288-R349 PolarHBondContact O-N 3.01Å
289T97.7Very high96.6Very high63 Ų6351.3 Ų51.339%0.38728%0.284SS..EExtended strand (participates in β ladder)trans-76.8158.9173.662.80000111.2K291 E292 A293T289-K291 PolarHBondContact O-N 3.18Å; T289-E292 WeakPolarHBondContact CB-OE2 3.28Å; T289-E292 PolarHBondContact N-OE2 3Å; T289-E292 PolarHBondContact O-N 3.06Å; T289-E292 VanDerWaalsContact O-N 3.17Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 VanDerWaalsContact OG1-CG 3.27Å; T289-E292 WeakPolarHBondContact OG1-CG 3.4Å; T289-E292 PolarHBondContact OG1-N 2.79Å; T289-E292 PolarHBondContact OG1-OE2 3.02Å; T289-A293 WeakPolarHBondContact O-CB 3.44Å; T289-A293 PolarHBondContact O-N 2.79Å
290L95.7Very high96.6Very high43 Ų4353.1 Ų53.123%0.22529%0.29CS..Hα-helixtrans-55.2-36.4172.1-177.764.5000112.6A293 L294 V348 R349 F350L290-A293 PolarHBondContact O-N 3.35Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 4.12Å; L290-L294 HydrophobicContact CG-CD1 3.93Å; L290-L294 HydrophobicContact CG-CG 4.44Å; L290-L294 WeakPolarHBondContact O-CG 3.46Å; L290-L294 PolarHBondContact O-N 3.05Å; L290-V348 HydrophobicContact CB-CG1 4.3Å; L290-V348 HydrophobicContact CD1-CG1 4.18Å; L290-R349 PolarHBondContact N-O 3.37Å; L290-F350 HydrophobicContact CD1-CD1 4.43Å; L290-F350 HydrophobicContact CD1-CE1 3.85Å; L290-F350 HydrophobicContact CD1-CE2 4.33Å; L290-F350 HydrophobicContact CD1-CZ 3.79Å; L290-F350 HydrophobicContact CD2-CD1 3.7Å; L290-F350 HydrophobicContact CD2-CE1 3.66Å; L290-F350 HydrophobicContact CD2-CZ 4.44Å; L290-F350 HydrophobicContact CG-CE1 4.32Å
291K94.8Very high96.6Very high158 Ų15852.5 Ų52.569%0.68729%0.285SS*.Hα-helixtrans-61.7-50.6176.2178.9-175.4173.8-175.50111T289 A293 L294 C295T289-K291 PolarHBondContact O-N 3.18Å; K291-A293 VanDerWaalsContact C-N 3.27Å; K291-A293 PolarHBondContact O-N 2.95Å; K291-L294 PolarHBondContact O-N 2.88Å; K291-C295 VanDerWaalsContact O-CB 3.28Å; K291-C295 WeakPolarHBondContact O-CB 3.31Å; K291-C295 PolarHBondContact O-N 3.35Å
292E96.9Very high96.5Very high76 Ų7651.9 Ų51.936%0.35528%0.284SS..Hα-helixtrans-62.6-36.2178.4-73164150.400112I288 T289 G296 C297I288-E292 HydrophobicContact CB-CB 4.18Å; T289-E292 WeakPolarHBondContact CB-OE2 3.28Å; T289-E292 PolarHBondContact N-OE2 3Å; T289-E292 PolarHBondContact O-N 3.06Å; T289-E292 VanDerWaalsContact O-N 3.17Å; T289-E292 VanDerWaalsContact OG1-CD 3.28Å; T289-E292 VanDerWaalsContact OG1-CG 3.27Å; T289-E292 WeakPolarHBondContact OG1-CG 3.4Å; T289-E292 PolarHBondContact OG1-N 2.79Å; T289-E292 PolarHBondContact OG1-OE2 3.02Å; E292-G296 CarbonylContact O-C 3.59Å; E292-G296 VanDerWaalsContact O-C 3.28Å; E292-G296 VanDerWaalsContact O-CA 3.32Å; E292-G296 WeakPolarHBondContact O-CA 3.27Å; E292-G296 PolarHBondContact O-N 3.48Å; E292-G296 VanDerWaalsContact O-N 3.1Å; E292-C297 HydrophobicContact CB-CB 3.68Å; E292-C297 HydrophobicContact CG-CB 3.8Å
293A97.1Very high96.4Very high2 Ų252 Ų522%0.01729%0.285CS..Hα-helixtrans-66.5-35177.100000113.1I288 T289 L290 K291 I316 I317 V348I288-A293 HydrophobicContact CD1-CB 3.71Å; I288-A293 HydrophobicContact CG1-CB 4.36Å; T289-A293 WeakPolarHBondContact O-CB 3.44Å; T289-A293 PolarHBondContact O-N 2.79Å; L290-A293 PolarHBondContact O-N 3.35Å; K291-A293 VanDerWaalsContact C-N 3.27Å; K291-A293 PolarHBondContact O-N 2.95Å; A293-I316 CarbonylContact O-C 3.6Å; A293-I316 WeakPolarHBondContact O-CA 3.23Å; A293-I317 HydrophobicContact CB-CB 4.43Å; A293-I317 PolarHBondContact O-N 2.66Å; A293-V348 HydrophobicContact CB-CG1 3.85Å; A293-V348 HydrophobicContact CB-CG2 3.9Å
294L95.4Very high96.2Very high75 Ų7550.6 Ų50.639%0.39328%0.277SS..Hα-helixtrans-92.7-35.2-177.6-67175.7000113.7L290 K291 I316L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 4.12Å; L290-L294 HydrophobicContact CG-CD1 3.93Å; L290-L294 HydrophobicContact CG-CG 4.44Å; L290-L294 WeakPolarHBondContact O-CG 3.46Å; L290-L294 PolarHBondContact O-N 3.05Å; K291-L294 PolarHBondContact O-N 2.88Å; L294-I316 HydrophobicContact CD2-CG2 4.09Å
295C94.4Very high95.9Very high100 Ų10053.1 Ų53.168%0.67629%0.29SS*.Hα-helixtrans-101.9-2.9-173.3-56.90000113.5K291K291-C295 VanDerWaalsContact O-CB 3.28Å; K291-C295 WeakPolarHBondContact O-CB 3.31Å; K291-C295 PolarHBondContact O-N 3.35Å
296G94.6Very high95.6Very high21 Ų2156.7 Ų56.722%0.21631%0.309CS..  trans84.1156.9-172.900000113.3E292 C313E292-G296 CarbonylContact O-C 3.59Å; E292-G296 VanDerWaalsContact O-C 3.28Å; E292-G296 VanDerWaalsContact O-CA 3.32Å; E292-G296 WeakPolarHBondContact O-CA 3.27Å; E292-G296 PolarHBondContact O-N 3.48Å; E292-G296 VanDerWaalsContact O-N 3.1Å; G296-C313 CarbonylContact C-O 3.45Å; G296-C313 WeakPolarHBondContact CA-O 3.25Å
297C95.5Very high95.4Very high20 Ų2062 Ų6214%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-158.2167.9179.462.10000111E292 C313E292-C297 HydrophobicContact CB-CB 3.68Å; E292-C297 HydrophobicContact CG-CB 3.8Å; C297-C313 PolarHBondContact N-O 2.83Å; C297-C313 WeakPolarHBondContact O-CA 3.18Å; C297-C313 WeakPolarHBondContact O-CB 3.05Å; C297-C313 PolarHBondContact O-N 2.8Å
298T96.7Very high95.4Very high83 Ų8358.8 Ų58.851%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-115.4116.8168.3-60.30000108.2S310T298-S310 WeakPolarHBondContact CG2-OG 3.4Å
299V96.1Very high95.4Very high13 Ų1359.5 Ų59.58%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-92.3128.3-177.8-179.90000110.1C286 I288 I301 L311 F346C286-V299 WeakPolarHBondContact SG-CG1 3.2Å; I288-V299 HydrophobicContact CG2-CG2 4.15Å; V299-I301 HydrophobicContact CB-CG1 4.41Å; V299-I301 HydrophobicContact CG1-CD1 4.46Å; V299-I301 HydrophobicContact CG1-CG1 3.68Å; V299-L311 PolarHBondContact N-O 2.76Å; V299-L311 PolarHBondContact O-N 2.92Å; V299-F346 HydrophobicContact CG2-CE1 3.94Å
300S96.3Very high95.4Very high81 Ų8160.2 Ų60.257%0.56633%0.334SS*.EExtended strand (participates in β ladder)trans-91108.9171.8-63.70000110.2
301I96.6Very high95.4Very high0 Ų059.7 Ų59.70%033%0.332CS..EExtended strand (participates in β ladder)trans-106.5120.7-173.9-50.5159.7000109.1Y284 V299 V308 I309 L311 V325 L342 V344Y284-I301 HydrophobicContact CD1-CG1 4.5Å; Y284-I301 HydrophobicContact CD1-CG2 3.67Å; Y284-I301 HydrophobicContact CD2-CG2 4.37Å; Y284-I301 HydrophobicContact CE1-CG1 4.42Å; Y284-I301 HydrophobicContact CE1-CG2 3.97Å; Y284-I301 HydrophobicContact CG-CG2 3.89Å; V299-I301 HydrophobicContact CB-CG1 4.41Å; V299-I301 HydrophobicContact CG1-CD1 4.46Å; V299-I301 HydrophobicContact CG1-CG1 3.68Å; I301-V308 CarbonylContact O-C 3.54Å; I301-V308 WeakPolarHBondContact O-CA 3.31Å; I301-I309 PolarHBondContact N-O 2.88Å; I301-I309 PolarHBondContact O-N 3.41Å; I301-L311 HydrophobicContact CD1-CB 3.69Å; I301-L311 HydrophobicContact CD1-CD2 3.81Å; I301-L311 HydrophobicContact CD1-CG 4.4Å; I301-V325 HydrophobicContact CD1-CG2 4.48Å; I301-L342 HydrophobicContact CG2-CD2 3.76Å; I301-V344 HydrophobicContact CD1-CG1 4.42Å; I301-V344 HydrophobicContact CD1-CG2 3.51Å; I301-V344 HydrophobicContact CG1-CG2 4.5Å
302P96.1Very high95.5Very high31 Ų3155.2 Ų55.220%0.20132%0.319CS..EExtended strand (participates in β ladder)trans-66.6164.6171.529.9-34000110.3F275 Y284 R307F275-P302 HydrophobicContact CZ-CB 4.42Å; F275-P302 HydrophobicContact CZ-CG 4.11Å; F275-P302 WeakPolarHBondContact CZ-O 3.4Å; Y284-P302 HydrophobicContact CD2-CG 4.41Å; Y284-P302 HydrophobicContact CE2-CG 3.8Å; P302-R307 CarbonylContact C-O 3.54Å
303T95.2Very high95.4Very high4 Ų451.6 Ų51.63%0.02530%0.302CS..  trans-129.9169.5175.560.80000109.9E305 N306 R307 I309T303-E305 PolarHBondContact O-N 2.89Å; T303-E305 PolarHBondContact OG1-N 3.32Å; T303-N306 PolarHBondContact O-N 3.46Å; T303-N306 VanDerWaalsContact O-N 3.16Å; T303-R307 HydrophobicContact CG2-CG 3.77Å; T303-R307 PolarHBondContact N-O 3.19Å; T303-R307 WeakPolarHBondContact OG1-CG 3.37Å; T303-R307 PolarHBondContact OG1-N 3.43Å; T303-R307 VanDerWaalsContact OG1-N 3.1Å; T303-R307 PolarHBondContact OG1-O 2.82Å; T303-I309 HydrophobicContact CG2-CD1 3.51Å; T303-I309 HydrophobicContact CG2-CG1 3.7Å
304L94.3Very high95.2Very high4 Ų458.9 Ų58.92%0.02134%0.335CS..THydrogen-bonded Turntrans-65.7-15.7174.8-65.6175.4000113.7L200 E201 F204 F275 I282 L330L200-L304 HydrophobicContact CB-CD1 4.4Å; L200-L304 HydrophobicContact CB-CD2 3.74Å; L200-L304 HydrophobicContact CD1-CD2 4.45Å; E201-L304 HydrophobicContact CG-CD2 4.49Å; F204-L304 HydrophobicContact CB-CD1 4.26Å; F204-L304 HydrophobicContact CD2-CB 4.32Å; F204-L304 HydrophobicContact CD2-CD1 3.95Å; F204-L304 HydrophobicContact CG-CB 4.29Å; F204-L304 HydrophobicContact CG-CD1 4.31Å; F275-L304 HydrophobicContact CD2-CD2 3.61Å; F275-L304 HydrophobicContact CD2-CG 4.34Å; F275-L304 HydrophobicContact CE2-CD2 3.91Å; F275-L304 HydrophobicContact CE2-CG 4.37Å; I282-L304 HydrophobicContact CD1-CD1 3.83Å; I282-L304 HydrophobicContact CD1-CG 3.87Å; I282-L304 HydrophobicContact CG2-CD1 4.36Å; L304-L330 HydrophobicContact CD1-CD2 3.53Å; L304-L330 HydrophobicContact CD1-CG 4.3Å
305E92.2Very high95.1Very high88 Ų8861.1 Ų61.141%0.41135%0.347SS..THydrogen-bonded Turntrans-95.910.5177.8-65.2177.3115.500112.3F204 T303 R307 R339F204-E305 HydrophobicContact CD1-CG 4.33Å; F204-E305 HydrophobicContact CE1-CG 3.39Å; F204-E305 HydrophobicContact CZ-CG 3.59Å; T303-E305 PolarHBondContact O-N 2.89Å; T303-E305 PolarHBondContact OG1-N 3.32Å; E305-R307 HydrophobicContact CB-CG 4.33Å; E305-R307 PolarHBondContact O-N 3.47Å; E305-R307 VanDerWaalsContact O-N 3.14Å; E305-R339 IonicContact OE2-CZ 3.84Å; E305-R339 IonicContact OE2-NH1 3.92Å; E305-R339 PolarHBondContact OE2-NH1 3.4Å; E305-R339 IonicContact OE2-NH2 3.95Å
306N89.9Confident95.2Very high153 Ų15362 Ų6282%0.81834%0.344SS*.SBendtrans59.118-175.2-64.8-31.7000115T303T303-N306 PolarHBondContact O-N 3.46Å; T303-N306 VanDerWaalsContact O-N 3.16Å
307R94.9Very high95.3Very high116 Ų11661.3 Ų61.344%0.43834%0.335SS..  trans-84.5158.7164.558.9-178.4-117.8104.3-5.8110.5P302 T303 E305 E328P302-R307 CarbonylContact C-O 3.54Å; T303-R307 HydrophobicContact CG2-CG 3.77Å; T303-R307 PolarHBondContact N-O 3.19Å; T303-R307 WeakPolarHBondContact OG1-CG 3.37Å; T303-R307 PolarHBondContact OG1-N 3.43Å; T303-R307 VanDerWaalsContact OG1-N 3.1Å; T303-R307 PolarHBondContact OG1-O 2.82Å; E305-R307 HydrophobicContact CB-CG 4.33Å; E305-R307 PolarHBondContact O-N 3.47Å; E305-R307 VanDerWaalsContact O-N 3.14Å; R307-E328 IonicContact CZ-OE1 3.54Å; R307-E328 IonicContact NE-OE1 3.62Å; R307-E328 PolarHBondContact NE-OE1 3.46Å; R307-E328 IonicContact NE-OE2 2.66Å; R307-E328 IonicContact NH2-OE1 2.66Å; R307-E328 PolarHBondContact NH2-OE1 3.11Å
308V96.6Very high95.3Very high96 Ų9667.5 Ų67.558%0.58236%0.36SS*.EExtended strand (participates in β ladder)trans-111.8131.2175.4-179.20000109.5I301I301-V308 CarbonylContact O-C 3.54Å; I301-V308 WeakPolarHBondContact O-CA 3.31Å
309I96.6Very high95.2Very high22 Ų2268 Ų6811%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-103.2130.5174.6-59.8177.3000108.5I301 T303 V325 E328I301-I309 PolarHBondContact N-O 2.88Å; I301-I309 PolarHBondContact O-N 3.41Å; T303-I309 HydrophobicContact CG2-CD1 3.51Å; T303-I309 HydrophobicContact CG2-CG1 3.7Å; I309-V325 HydrophobicContact CD1-CG1 3.99Å; I309-V325 HydrophobicContact CG2-CG1 4.4Å; I309-E328 HydrophobicContact CD1-CB 4.32Å; I309-E328 VanDerWaalsContact CD1-CD 3.48Å; I309-E328 HydrophobicContact CD1-CG 3.51Å
310S97Very high95.2Very high79 Ų7969.5 Ų69.555%0.55238%0.383SS*.EExtended strand (participates in β ladder)trans-93.3114.8174.7-173.10000109.5T298 P312T298-S310 WeakPolarHBondContact CG2-OG 3.4Å; S310-P312 WeakPolarHBondContact O-CD 3.32Å
311L96.3Very high95.2Very high32 Ų3267.7 Ų67.717%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-110.497.3179.3-178.164.9000110.3V299 I301 K323 V344 F346V299-L311 PolarHBondContact N-O 2.76Å; V299-L311 PolarHBondContact O-N 2.92Å; I301-L311 HydrophobicContact CD1-CB 3.69Å; I301-L311 HydrophobicContact CD1-CD2 3.81Å; I301-L311 HydrophobicContact CD1-CG 4.4Å; L311-K323 HydrophobicContact CD2-CB 4.24Å; L311-K323 HydrophobicContact CD2-CD 4.15Å; L311-V344 HydrophobicContact CD2-CG2 4.17Å; L311-F346 HydrophobicContact CD2-CZ 4.3Å
312P96.5Very high95.2Very high64 Ų6472.8 Ų72.842%0.41640%0.395SS..EExtended strand (participates in β ladder)trans-68.6136.2174.428.4-33.3000110.8S310S310-P312 WeakPolarHBondContact O-CD 3.32Å
313C94.8Very high95.2Very high0 Ų073.8 Ų73.80%040%0.396CS..EExtended strand (participates in β ladder)trans-129.399.7-179.8-65.40000108.8G296 C297 I317 K323G296-C313 CarbonylContact C-O 3.45Å; G296-C313 WeakPolarHBondContact CA-O 3.25Å; C297-C313 PolarHBondContact N-O 2.83Å; C297-C313 WeakPolarHBondContact O-CA 3.18Å; C297-C313 WeakPolarHBondContact O-CB 3.05Å; C297-C313 PolarHBondContact O-N 2.8Å; C313-I317 HydrophobicContact CB-CD1 3.57Å; C313-I317 HydrophobicContact CB-CG1 4.48Å; C313-K323 PolarHBondContact SG-NZ 3.04Å
314H93.7Very high95.4Very high155 Ų15581.5 Ų81.572%0.71843%0.425SS*.  trans-91.2-31.3-179.9-57.6-60.3000112.5
315D93.6Very high95.5Very high122 Ų12282.5 Ų82.565%0.65243%0.431SS*.SBendtrans-79.2159.8179.4-49.7-54.6000112.4I317D315-I317 PolarHBondContact O-N 2.59Å
316I95.3Very high95.7Very high117 Ų11788.5 Ų88.560%0.645%0.45SS*.PPolyproline II helixtrans-62.9123.7174.7-59.7176.5000109.9A293 L294A293-I316 CarbonylContact O-C 3.6Å; A293-I316 WeakPolarHBondContact O-CA 3.23Å; L294-I316 HydrophobicContact CD2-CG2 4.09Å
317I96.8Very high96Very high7 Ų782.7 Ų82.74%0.03643%0.426CS..PPolyproline II helixtrans-96.4119.8178-64.9167.7000109.8I288 A293 C313 D315 F346I288-I317 HydrophobicContact CD1-CB 3.93Å; I288-I317 HydrophobicContact CD1-CD1 3.77Å; I288-I317 HydrophobicContact CD1-CG1 4.46Å; I288-I317 HydrophobicContact CD1-CG2 3.81Å; A293-I317 HydrophobicContact CB-CB 4.43Å; A293-I317 PolarHBondContact O-N 2.66Å; C313-I317 HydrophobicContact CB-CD1 3.57Å; C313-I317 HydrophobicContact CB-CG1 4.48Å; D315-I317 PolarHBondContact O-N 2.59Å; I317-F346 HydrophobicContact CD1-CD1 3.94Å; I317-F346 HydrophobicContact CD1-CE1 3.67Å; I317-F346 HydrophobicContact CD1-CG 4.47Å; I317-F346 HydrophobicContact CD1-CZ 4.05Å; I317-F346 HydrophobicContact CG2-CB 3.53Å; I317-F346 HydrophobicContact CG2-CD1 3.92Å; I317-F346 HydrophobicContact CG2-CD2 4.19Å; I317-F346 HydrophobicContact CG2-CG 3.62Å
318K95.5Very high96.1Very high151 Ų15178.1 Ų78.166%0.65741%0.41SS*.PPolyproline II helixtrans-83.6151.2171.7-63-179.8-178.9178.20110.6G320 T321K318-G320 PolarHBondContact O-N 2.83Å; K318-T321 PolarHBondContact N-OG1 3.02Å; K318-T321 VanDerWaalsContact N-OG1 3.15Å; K318-T321 VanDerWaalsContact O-CB 3.26Å; K318-T321 WeakPolarHBondContact O-CB 3.44Å; K318-T321 PolarHBondContact O-N 2.65Å; K318-T321 VanDerWaalsContact O-N 3.08Å; K318-T321 PolarHBondContact O-OG1 3.32Å
319P95.9Very high96.2Very high92 Ų9273.6 Ų73.660%0.59738%0.382SS*.THydrogen-bonded Turntrans-54135.3169.1-19.729.2000111.3T321 V348P319-T321 VanDerWaalsContact C-N 3.27Å; P319-T321 PolarHBondContact O-N 3.41Å; P319-V348 HydrophobicContact CB-CG2 4.4Å; P319-V348 HydrophobicContact CG-CB 4.07Å; P319-V348 HydrophobicContact CG-CG2 4.02Å
320G94.6Very high96.2Very high45 Ų4572.5 Ų72.546%0.46438%0.377SS..THydrogen-bonded Turntrans79.11.9-177.800000114.7K318 L322 F346K318-G320 PolarHBondContact O-N 2.83Å; G320-L322 PolarHBondContact O-N 3.27Å; G320-F346 PolarHBondContact N-O 2.9Å
321T97.1Very high96.3Very high44 Ų4469 Ų6927%0.2735%0.352SS..  trans-58.5136.2172.9-590000109.6K318 P319 F346K318-T321 PolarHBondContact N-OG1 3.02Å; K318-T321 VanDerWaalsContact N-OG1 3.15Å; K318-T321 VanDerWaalsContact O-CB 3.26Å; K318-T321 WeakPolarHBondContact O-CB 3.44Å; K318-T321 PolarHBondContact O-N 2.65Å; K318-T321 VanDerWaalsContact O-N 3.08Å; K318-T321 PolarHBondContact O-OG1 3.32Å; P319-T321 VanDerWaalsContact C-N 3.27Å; P319-T321 PolarHBondContact O-N 3.41Å; T321-F346 WeakPolarHBondContact O-CD2 3.32Å; T321-F346 PolarHBondContact O-N 3.3Å
322L97.1Very high96.3Very high107 Ų10771.1 Ų71.156%0.5636%0.36SS*.EExtended strand (participates in β ladder)trans-109125175.7-56.7-177.8000109.7G320 I343 V344 E345G320-L322 PolarHBondContact O-N 3.27Å; L322-I343 HydrophobicContact CB-CG2 4.21Å; L322-I343 HydrophobicContact CD1-CG2 4.44Å; L322-I343 HydrophobicContact CD2-CG2 4.21Å; L322-V344 WeakPolarHBondContact CA-O 3.45Å; L322-E345 HydrophobicContact CD2-CB 3.58Å; L322-E345 HydrophobicContact CD2-CG 3.66Å
323K96.7Very high96.2Very high52 Ų5270.4 Ų70.423%0.22636%0.356CS..EExtended strand (participates in β ladder)trans-112.1147.8166.3-69.2-169.6173.7-173.40110.3L311 C313 V344 F346L311-K323 HydrophobicContact CD2-CB 4.24Å; L311-K323 HydrophobicContact CD2-CD 4.15Å; C313-K323 PolarHBondContact SG-NZ 3.04Å; K323-V344 HydrophobicContact CB-CB 4.43Å; K323-V344 PolarHBondContact N-O 3.02Å; K323-V344 PolarHBondContact O-N 2.85Å; K323-F346 HydrophobicContact CB-CE2 3.95Å; K323-F346 HydrophobicContact CD-CE2 3.86Å; K323-F346 HydrophobicContact CD-CZ 4.22Å; K323-F346 HydrophobicContact CG-CE2 3.76Å
324R97.7Very high96.1Very high166 Ų16679.8 Ų79.863%0.62640%0.396SS*.EExtended strand (participates in β ladder)trans-114.3127-175.1-175.4178.7-63.7-163.312.8110.6D341 I343R324-D341 VanDerWaalsContact CD-OD2 3.26Å; R324-D341 WeakPolarHBondContact CD-OD2 3.45Å; R324-D341 HydrophobicContact CG-CB 3.83Å; R324-D341 IonicContact NE-OD2 2.82Å; R324-D341 IonicContact NH1-OD2 2.75Å; R324-I343 HydrophobicContact CB-CD1 4.2Å; R324-I343 HydrophobicContact CG-CD1 3.81Å
325V97.1Very high96.1Very high24 Ų2476.5 Ų76.515%0.14538%0.384CS..EExtended strand (participates in β ladder)trans-106.6109.6169.1-1730000107.4I301 I309 E328 L342 V344I301-V325 HydrophobicContact CD1-CG2 4.48Å; I309-V325 HydrophobicContact CD1-CG1 3.99Å; I309-V325 HydrophobicContact CG2-CG1 4.4Å; V325-E328 HydrophobicContact CG1-CB 4.26Å; V325-E328 HydrophobicContact CG1-CG 3.75Å; V325-L342 HydrophobicContact CB-CB 4.21Å; V325-L342 HydrophobicContact CB-CD2 4.34Å; V325-L342 HydrophobicContact CG2-CD2 4.49Å; V325-L342 PolarHBondContact N-O 3.01Å; V325-L342 PolarHBondContact O-N 3.17Å; V325-V344 HydrophobicContact CG2-CG2 4.22Å
326R96.9Very high96.1Very high214 Ų21473.8 Ų73.881%0.80837%0.373SS*.THydrogen-bonded Turntrans-69.9140.4-170.6-68.4-175.9-179.7179.2-0.7112E328 D341R326-E328 PolarHBondContact O-N 3Å; R326-D341 VanDerWaalsContact CA-OD1 3.23Å; R326-D341 WeakPolarHBondContact CA-OD1 3.38Å
327G96.3Very high96Very high31 Ų3173.7 Ų73.732%0.3238%0.383SS..THydrogen-bonded Turntrans73.110.6172.900000115.3R339 G340 D341G327-R339 WeakPolarHBondContact O-CB 3.47Å; G327-R339 WeakPolarHBondContact O-CD 3.38Å; G327-R339 VanDerWaalsContact O-CZ 3.28Å; G327-R339 PolarHBondContact O-NE 3.12Å; G327-G340 CarbonylContact C-O 3.55Å; G327-G340 VanDerWaalsContact C-O 3.29Å; G327-G340 VanDerWaalsContact CA-O 3.27Å; G327-G340 WeakPolarHBondContact CA-O 3.36Å; G327-G340 PolarHBondContact N-O 2.82Å; G327-D341 PolarHBondContact N-OD1 2.86Å
328E97.2Very high96Very high21 Ų2178.8 Ų78.810%0.09841%0.407CS..  trans-103.27.4-178.4-70.2-68.4176.900113.7I282 R307 I309 V325 R326 R339 G340 L342I282-E328 WeakPolarHBondContact CD1-O 2.93Å; R307-E328 IonicContact CZ-OE1 3.54Å; R307-E328 IonicContact NE-OE1 3.62Å; R307-E328 PolarHBondContact NE-OE1 3.46Å; R307-E328 IonicContact NE-OE2 2.66Å; R307-E328 IonicContact NH2-OE1 2.66Å; R307-E328 PolarHBondContact NH2-OE1 3.11Å; I309-E328 HydrophobicContact CD1-CB 4.32Å; I309-E328 VanDerWaalsContact CD1-CD 3.48Å; I309-E328 HydrophobicContact CD1-CG 3.51Å; V325-E328 HydrophobicContact CG1-CB 4.26Å; V325-E328 HydrophobicContact CG1-CG 3.75Å; R326-E328 PolarHBondContact O-N 3Å; E328-R339 VanDerWaalsContact C-NH2 3.26Å; E328-R339 PolarHBondContact O-NH2 3.46Å; E328-R339 VanDerWaalsContact O-NH2 3.12Å; E328-R339 IonicContact OE2-CZ 3.64Å; E328-R339 IonicContact OE2-NH1 3.97Å; E328-R339 IonicContact OE2-NH2 3.86Å; E328-R339 PolarHBondContact OE2-NH2 2.96Å; E328-G340 PolarHBondContact N-O 2.81Å; E328-L342 HydrophobicContact CB-CB 3.59Å; E328-L342 HydrophobicContact CB-CD2 4.24Å
329G97.3Very high96.1Very high0 Ų074.1 Ų74.10%039%0.385CS..SBendtrans-83.4-160.917400000114.1R339 G340G329-R339 PolarHBondContact O-NE 3.12Å; G329-R339 PolarHBondContact O-NH2 2.8Å; G329-G340 WeakPolarHBondContact CA-O 3.41Å; G329-G340 PolarHBondContact N-O 2.84Å
330L97.9Very high96.2Very high0 Ų069.9 Ų69.90%036%0.357CS..PPolyproline II helixtrans-78.7153.9175.8-68.2170.9000111.4L200 I203 F204 R277 S280 I282 L304 R339 G340L200-L330 HydrophobicContact CD2-CD1 4.37Å; I203-L330 HydrophobicContact CG2-CD1 4.21Å; I203-L330 HydrophobicContact CG2-CD2 4.2Å; F204-L330 HydrophobicContact CB-CD2 4.02Å; F204-L330 HydrophobicContact CD2-CD2 4.28Å; R277-L330 HydrophobicContact CG-CD1 3.8Å; R277-L330 VanDerWaalsContact NE-CD1 3.3Å; S280-L330 PolarHBondContact O-N 3.35Å; I282-L330 HydrophobicContact CG2-CD1 4.27Å; I282-L330 HydrophobicContact CG2-CG 3.9Å; L304-L330 HydrophobicContact CD1-CD2 3.53Å; L304-L330 HydrophobicContact CD1-CG 4.3Å; L330-R339 WeakPolarHBondContact O-CA 3.47Å; L330-G340 PolarHBondContact O-N 2.71Å
331P98.1Very high96.4Very high5 Ų569 Ų693%0.03234%0.342CS..BIsolated β-bridgetrans-59.7151.1172.6-22.934.1000112.4F204 K238 G239 P336 Q338F204-P331 HydrophobicContact CD2-CG 4.22Å; F204-P331 HydrophobicContact CE2-CG 4.41Å; K238-P331 HydrophobicContact CB-CB 4.26Å; K238-P331 HydrophobicContact CB-CG 4.31Å; G239-P331 WeakPolarHBondContact CA-O 3.45Å; P331-P336 HydrophobicContact CB-CB 4.4Å; P331-Q338 WeakPolarHBondContact CA-O 3.41Å
332F96.9Very high96.4Very high76 Ų7667 Ų6733%0.33333%0.33SS..PPolyproline II helixtrans-78133.7168.4-65.6-71000110.5S280 K334 N335 P336 Q338 R339S280-F332 WeakPolarHBondContact OG-CD1 3.47Å; F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 3.21Å; F332-N335 CarbonylContact O-C 3.57Å; F332-N335 PolarHBondContact O-N 2.74Å; F332-P336 WeakPolarHBondContact O-CA 3.48Å; F332-P336 VanDerWaalsContact O-N 3.13Å; F332-Q338 HydrophobicContact CD2-CB 3.64Å; F332-Q338 WeakPolarHBondContact CD2-O 3.38Å; F332-Q338 HydrophobicContact CE2-CB 4.1Å; F332-Q338 PolarHBondContact N-O 2.64Å; F332-R339 VanDerWaalsContact CE2-O 3.3Å; F332-R339 WeakPolarHBondContact CE2-O 3.26Å
333P93.8Very high96.5Very high50 Ų5062.8 Ų62.833%0.32531%0.307SS..SBendtrans-65.5-27.3-175.115.4-24.1000114.4G239 K241G239-P333 WeakPolarHBondContact O-CB 3.34Å; G239-P333 WeakPolarHBondContact O-CD 3.49Å; G239-P333 VanDerWaalsContact O-CG 3.3Å; G239-P333 WeakPolarHBondContact O-CG 3.46Å; K241-P333 HydrophobicContact CG-CG 4.39Å
334K92.7Very high96.5Very high197 Ų19760.3 Ų60.386%0.85730%0.297SS*.SBendtrans-81.5-37.7174.3-68-175.4180178.30112.2F332F332-K334 VanDerWaalsContact C-N 3.28Å; F332-K334 PolarHBondContact O-N 3.21Å
335N94.2Very high96.6Very high86 Ų8656.2 Ų56.246%0.4629%0.285SS..  trans-127.679.8-177.5-67.8-16.2000110.4F332 S337 Q338F332-N335 CarbonylContact O-C 3.57Å; F332-N335 PolarHBondContact O-N 2.74Å; N335-S337 PolarHBondContact O-N 3.32Å; N335-Q338 PolarHBondContact O-N 2.94Å
336P93.1Very high96.6Very high65 Ų6555.1 Ų55.142%0.42228%0.278SS..THydrogen-bonded Turntrans-67.2-9.5-173.1-22.734.7000115.3K238 P331 F332 Q338K238-P336 HydrophobicContact CB-CB 4.15Å; K238-P336 HydrophobicContact CD-CB 4.35Å; P331-P336 HydrophobicContact CB-CB 4.4Å; F332-P336 WeakPolarHBondContact O-CA 3.48Å; F332-P336 VanDerWaalsContact O-N 3.13Å; P336-Q338 VanDerWaalsContact C-N 3.32Å
337S93.7Very high96.6Very high115 Ų11547.4 Ų47.480%0.80426%0.257SS*.THydrogen-bonded Turntrans-75.2-22.7172.452.90000112.8N335N335-S337 PolarHBondContact O-N 3.32Å
338Q96.5Very high96.6Very high114 Ų11446.8 Ų46.853%0.53325%0.247SC..SBendtrans-100.4148.6175.3-69.2179.4-9.200109.9P331 F332 N335 P336P331-Q338 WeakPolarHBondContact CA-O 3.41Å; F332-Q338 HydrophobicContact CD2-CB 3.64Å; F332-Q338 WeakPolarHBondContact CD2-O 3.38Å; F332-Q338 HydrophobicContact CE2-CB 4.1Å; F332-Q338 PolarHBondContact N-O 2.64Å; N335-Q338 PolarHBondContact O-N 2.94Å; P336-Q338 VanDerWaalsContact C-N 3.32Å
339R97.4Very high96.6Very high53 Ų5353.9 Ų53.920%0.227%0.273CS..BIsolated β-bridgetrans-124.9150.8-177.7-66.9171.163.2177.1-3.9110.1E305 G327 E328 G329 L330 F332E305-R339 IonicContact OE2-CZ 3.84Å; E305-R339 IonicContact OE2-NH1 3.92Å; E305-R339 PolarHBondContact OE2-NH1 3.4Å; E305-R339 IonicContact OE2-NH2 3.95Å; G327-R339 WeakPolarHBondContact O-CB 3.47Å; G327-R339 WeakPolarHBondContact O-CD 3.38Å; G327-R339 VanDerWaalsContact O-CZ 3.28Å; G327-R339 PolarHBondContact O-NE 3.12Å; E328-R339 VanDerWaalsContact C-NH2 3.26Å; E328-R339 PolarHBondContact O-NH2 3.46Å; E328-R339 VanDerWaalsContact O-NH2 3.12Å; E328-R339 IonicContact OE2-CZ 3.64Å; E328-R339 IonicContact OE2-NH1 3.97Å; E328-R339 IonicContact OE2-NH2 3.86Å; E328-R339 PolarHBondContact OE2-NH2 2.96Å; G329-R339 PolarHBondContact O-NE 3.12Å; G329-R339 PolarHBondContact O-NH2 2.8Å; L330-R339 WeakPolarHBondContact O-CA 3.47Å; F332-R339 VanDerWaalsContact CE2-O 3.3Å; F332-R339 WeakPolarHBondContact CE2-O 3.26Å
340G97.6Very high96.6Very high2 Ų259.7 Ų59.72%0.02130%0.298CS..  trans-69.6-164.6162.500000111.4G327 E328 G329 L330G327-G340 CarbonylContact C-O 3.55Å; G327-G340 VanDerWaalsContact C-O 3.29Å; G327-G340 VanDerWaalsContact CA-O 3.27Å; G327-G340 WeakPolarHBondContact CA-O 3.36Å; G327-G340 PolarHBondContact N-O 2.82Å; E328-G340 PolarHBondContact N-O 2.81Å; G329-G340 WeakPolarHBondContact CA-O 3.41Å; G329-G340 PolarHBondContact N-O 2.84Å; L330-G340 PolarHBondContact O-N 2.71Å
341D98.2Very high96.4Very high28 Ų2862.9 Ų62.915%0.1532%0.319CS..  trans-111.1156.7-172.8-59.9-34.2000112.4N281 I282 R324 R326 G327 I343N281-D341 CarbonylContact C-O 3.58Å; N281-D341 WeakPolarHBondContact CA-O 3.16Å; N281-D341 WeakPolarHBondContact CB-O 3.49Å; N281-D341 PolarHBondContact OD1-N 2.83Å; I282-D341 PolarHBondContact N-O 2.83Å; R324-D341 VanDerWaalsContact CD-OD2 3.26Å; R324-D341 WeakPolarHBondContact CD-OD2 3.45Å; R324-D341 HydrophobicContact CG-CB 3.83Å; R324-D341 IonicContact NE-OD2 2.82Å; R324-D341 IonicContact NH1-OD2 2.75Å; R326-D341 VanDerWaalsContact CA-OD1 3.23Å; R326-D341 WeakPolarHBondContact CA-OD1 3.38Å; G327-D341 PolarHBondContact N-OD1 2.86Å; D341-I343 HydrophobicContact CB-CD1 4.1Å
342L98.3Very high96.3Very high0 Ų069.3 Ų69.30%035%0.353CS..EExtended strand (participates in β ladder)trans-93118165.916968.4000108.2F275 I282 I301 V325 E328F275-L342 HydrophobicContact CD1-CD1 4.14Å; F275-L342 HydrophobicContact CE1-CD1 3.89Å; I282-L342 HydrophobicContact CD1-CD1 3.96Å; I282-L342 HydrophobicContact CG1-CB 4.24Å; I282-L342 HydrophobicContact CG1-CD1 3.65Å; I282-L342 CarbonylContact O-C 3.52Å; I282-L342 WeakPolarHBondContact O-CA 3.34Å; I301-L342 HydrophobicContact CG2-CD2 3.76Å; V325-L342 HydrophobicContact CB-CB 4.21Å; V325-L342 HydrophobicContact CB-CD2 4.34Å; V325-L342 HydrophobicContact CG2-CD2 4.49Å; V325-L342 PolarHBondContact N-O 3.01Å; V325-L342 PolarHBondContact O-N 3.17Å; E328-L342 HydrophobicContact CB-CB 3.59Å; E328-L342 HydrophobicContact CB-CD2 4.24Å
343I98.3Very high96.2Very high19 Ų1976.4 Ų76.410%0.09738%0.378CS..EExtended strand (participates in β ladder)trans-99117.5177.9-49.8-55.5000108.3N281 I282 I283 Y284 L322 R324 D341N281-I343 HydrophobicContact CB-CG1 4.35Å; I282-I343 PolarHBondContact O-N 3.05Å; I283-I343 CarbonylContact C-O 3.59Å; I283-I343 VanDerWaalsContact CA-O 3.29Å; I283-I343 WeakPolarHBondContact CA-O 3.33Å; I283-I343 HydrophobicContact CG1-CB 4.29Å; Y284-I343 PolarHBondContact N-O 2.9Å; L322-I343 HydrophobicContact CB-CG2 4.21Å; L322-I343 HydrophobicContact CD1-CG2 4.44Å; L322-I343 HydrophobicContact CD2-CG2 4.21Å; R324-I343 HydrophobicContact CB-CD1 4.2Å; R324-I343 HydrophobicContact CG-CD1 3.81Å; D341-I343 HydrophobicContact CB-CD1 4.1Å
344V98.1Very high96.2Very high0 Ų076.5 Ų76.50%038%0.375CS..EExtended strand (participates in β ladder)trans-93.5107177.3-173.90000107.8Y284 C286 I301 L311 L322 K323 V325 F346Y284-V344 HydrophobicContact CD1-CG1 4.39Å; Y284-V344 WeakPolarHBondContact O-CA 3.3Å; C286-V344 HydrophobicContact CB-CG1 3.61Å; I301-V344 HydrophobicContact CD1-CG1 4.42Å; I301-V344 HydrophobicContact CD1-CG2 3.51Å; I301-V344 HydrophobicContact CG1-CG2 4.5Å; L311-V344 HydrophobicContact CD2-CG2 4.17Å; L322-V344 WeakPolarHBondContact CA-O 3.45Å; K323-V344 HydrophobicContact CB-CB 4.43Å; K323-V344 PolarHBondContact N-O 3.02Å; K323-V344 PolarHBondContact O-N 2.85Å; V325-V344 HydrophobicContact CG2-CG2 4.22Å; V344-F346 HydrophobicContact CB-CE2 4.13Å; V344-F346 HydrophobicContact CG1-CD2 4.14Å; V344-F346 HydrophobicContact CG1-CE1 4.31Å; V344-F346 HydrophobicContact CG1-CE2 3.59Å; V344-F346 HydrophobicContact CG1-CZ 3.71Å
345E97.9Very high96.3Very high80 Ų8070.7 Ų70.737%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-93121174.3-179.9177.4-155.100109.3I283 Y284 N285 C286 L322I283-E345 HydrophobicContact CG2-CB 4.12Å; Y284-E345 PolarHBondContact O-N 3.14Å; N285-E345 CarbonylContact C-O 3.29Å; C286-E345 PolarHBondContact N-O 3.34Å; L322-E345 HydrophobicContact CD2-CB 3.58Å; L322-E345 HydrophobicContact CD2-CG 3.66Å
346F97.9Very high96.4Very high2 Ų271.8 Ų71.81%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-90.9121-176.5-73.4-89.9000112.3C286 I288 V299 L311 I317 G320 T321 K323 V344C286-F346 HydrophobicContact CB-CD1 4.14Å; C286-F346 HydrophobicContact CB-CE1 4.28Å; C286-F346 WeakPolarHBondContact O-CA 3.47Å; I288-F346 HydrophobicContact CD1-CD1 3.78Å; I288-F346 HydrophobicContact CD1-CE1 4.38Å; I288-F346 HydrophobicContact CG1-CD1 4.22Å; I288-F346 HydrophobicContact CG2-CD1 4.1Å; I288-F346 HydrophobicContact CG2-CE1 4.26Å; V299-F346 HydrophobicContact CG2-CE1 3.94Å; L311-F346 HydrophobicContact CD2-CZ 4.3Å; I317-F346 HydrophobicContact CD1-CD1 3.94Å; I317-F346 HydrophobicContact CD1-CE1 3.67Å; I317-F346 HydrophobicContact CD1-CG 4.47Å; I317-F346 HydrophobicContact CD1-CZ 4.05Å; I317-F346 HydrophobicContact CG2-CB 3.53Å; I317-F346 HydrophobicContact CG2-CD1 3.92Å; I317-F346 HydrophobicContact CG2-CD2 4.19Å; I317-F346 HydrophobicContact CG2-CG 3.62Å; G320-F346 PolarHBondContact N-O 2.9Å; T321-F346 WeakPolarHBondContact O-CD2 3.32Å; T321-F346 PolarHBondContact O-N 3.3Å; K323-F346 HydrophobicContact CB-CE2 3.95Å; K323-F346 HydrophobicContact CD-CE2 3.86Å; K323-F346 HydrophobicContact CD-CZ 4.22Å; K323-F346 HydrophobicContact CG-CE2 3.76Å; V344-F346 HydrophobicContact CB-CE2 4.13Å; V344-F346 HydrophobicContact CG1-CD2 4.14Å; V344-F346 HydrophobicContact CG1-CE1 4.31Å; V344-F346 HydrophobicContact CG1-CE2 3.59Å; V344-F346 HydrophobicContact CG1-CZ 3.71Å
347S97Very high96.5Very high52 Ų5276.4 Ų76.436%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-106.6115169.9-174.20000109.6N285 C286 K287 I288N285-S347 WeakPolarHBondContact OD1-CB 3.46Å; C286-S347 PolarHBondContact O-N 2.76Å; K287-S347 WeakPolarHBondContact CA-O 3.26Å; I288-S347 PolarHBondContact N-O 3.18Å
348V97.4Very high96.5Very high18 Ų1873.3 Ų73.311%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-89.9120-179.3-175.20000109.9I288 L290 A293 P319 F350I288-V348 HydrophobicContact CD1-CG2 4.3Å; I288-V348 HydrophobicContact CG1-CG2 4.16Å; I288-V348 CarbonylContact O-C 3.28Å; I288-V348 WeakPolarHBondContact O-CA 3.38Å; L290-V348 HydrophobicContact CB-CG1 4.3Å; L290-V348 HydrophobicContact CD1-CG1 4.18Å; A293-V348 HydrophobicContact CB-CG1 3.85Å; A293-V348 HydrophobicContact CB-CG2 3.9Å; P319-V348 HydrophobicContact CB-CG2 4.4Å; P319-V348 HydrophobicContact CG-CB 4.07Å; P319-V348 HydrophobicContact CG-CG2 4.02Å; V348-F350 HydrophobicContact CG1-CE2 4.32Å
349R97.2Very high96.3Very high170 Ų17074.6 Ų74.664%0.64236%0.363SS*.EExtended strand (participates in β ladder)trans-92.1120.6174.3-173.6179.6175.4-175.8-1.2110.4I288 L290 D352I288-R349 PolarHBondContact O-N 3.01Å; L290-R349 PolarHBondContact N-O 3.37Å; R349-D352 IonicContact NH2-OD2 3.32Å
350F95.6Very high96.1Very high122 Ų12276.2 Ų76.254%0.53537%0.373SS..PPolyproline II helixtrans-78.4148.3171.8-78.4-107.3000110.9L290 V348L290-F350 HydrophobicContact CD1-CD1 4.43Å; L290-F350 HydrophobicContact CD1-CE1 3.85Å; L290-F350 HydrophobicContact CD1-CE2 4.33Å; L290-F350 HydrophobicContact CD1-CZ 3.79Å; L290-F350 HydrophobicContact CD2-CD1 3.7Å; L290-F350 HydrophobicContact CD2-CE1 3.66Å; L290-F350 HydrophobicContact CD2-CZ 4.44Å; L290-F350 HydrophobicContact CG-CE1 4.32Å; V348-F350 HydrophobicContact CG1-CE2 4.32Å
351P95.1Very high95.9Very high67 Ų6780.7 Ų80.744%0.43540%0.396SS..PPolyproline II helixtrans-70140.5172.730.1-34.4000110.7R353 I354P351-R353 VanDerWaalsContact C-N 3.27Å; P351-R353 PolarHBondContact O-N 2.73Å; P351-I354 HydrophobicContact CB-CG1 4.47Å; P351-I354 HydrophobicContact CG-CD1 3.93Å; P351-I354 HydrophobicContact CG-CG1 3.8Å
352D95.7Very high95.7Very high139 Ų13982.8 Ų82.874%0.74341%0.406SS*.SBendtrans-70.3-25.6-179.1-58.8-48.9000112.5R349R349-D352 IonicContact NH2-OD2 3.32Å
353R94.2Very high95.3Very high226 Ų22689.7 Ų89.785%0.85343%0.432SS*.  trans-144.2146.9178.3-62-173.8-178-135.6-0.6110.5P351P351-R353 VanDerWaalsContact C-N 3.27Å; P351-R353 PolarHBondContact O-N 2.73Å
354I93.8Very high95.1Very high51 Ų5195.2 Ų95.226%0.26246%0.458SS..  trans-131.9126.7174.2-56.6178.4000107.7P351 R359 I362P351-I354 HydrophobicContact CB-CG1 4.47Å; P351-I354 HydrophobicContact CG-CD1 3.93Å; P351-I354 HydrophobicContact CG-CG1 3.8Å; I354-R359 HydrophobicContact CB-CG 3.93Å; I354-R359 HydrophobicContact CG2-CG 3.64Å; I354-R359 PolarHBondContact O-NE 2.71Å; I354-I362 HydrophobicContact CD1-CD1 4.23Å; I354-I362 HydrophobicContact CG2-CD1 4.05Å
355P95.6Very high94.8Very high76 Ų76102.3 Ų102.349%0.49449%0.49SS..  trans-57.9147.8177.5-24.634.2000112.8Q357 S358 R359P355-Q357 VanDerWaalsContact C-N 3.3Å; P355-Q357 PolarHBondContact O-N 3.16Å; P355-S358 PolarHBondContact O-N 2.75Å; P355-S358 VanDerWaalsContact O-N 3.11Å; P355-R359 PolarHBondContact O-N 3.46Å
356P95.3Very high94.4Very high109 Ų109102.7 Ų102.771%0.70850%0.495SS*.Hα-helixtrans-54.6-41.7-178.6-26.934.5000114.1S358 R359 E360P356-S358 PolarHBondContact O-N 3.21Å; P356-R359 WeakPolarHBondContact O-CB 3.43Å; P356-R359 PolarHBondContact O-N 3.3Å; P356-E360 PolarHBondContact O-N 3.02Å
357Q94.9Very high93.9Very high162 Ų162108.1 Ų108.176%0.75753%0.53SS*.Hα-helixtrans-60.9-45.8177.6-66.7176.3-9.600111.9P355 R359 E360 I361P355-Q357 VanDerWaalsContact C-N 3.3Å; P355-Q357 PolarHBondContact O-N 3.16Å; Q357-R359 VanDerWaalsContact C-N 3.31Å; Q357-R359 PolarHBondContact O-N 2.95Å; Q357-E360 PolarHBondContact O-N 2.89Å; Q357-I361 PolarHBondContact O-N 2.9Å
358S93.9Very high93Very high50 Ų50114.3 Ų114.335%0.3555%0.553SS.*Hα-helixtrans-66.6-32.5177.5-50.60000112.3P355 P356 E360 I361 I362P355-S358 PolarHBondContact O-N 2.75Å; P355-S358 VanDerWaalsContact O-N 3.11Å; P356-S358 PolarHBondContact O-N 3.21Å; S358-E360 VanDerWaalsContact C-N 3.34Å; S358-I361 PolarHBondContact O-N 2.72Å; S358-I362 WeakPolarHBondContact O-CB 3.48Å; S358-I362 WeakPolarHBondContact O-CD1 3.37Å; S358-I362 WeakPolarHBondContact O-CG1 2.84Å; S358-I362 PolarHBondContact O-N 3.3Å
359R92.7Very high91.4Very high141 Ų141122.5 Ų122.553%0.53261%0.611SS.*Hα-helixtrans-63.4-39.1175.7-71.1179.4178-168.1-7.7112.2I354 P355 P356 Q357 I362 R363I354-R359 HydrophobicContact CB-CG 3.93Å; I354-R359 HydrophobicContact CG2-CG 3.64Å; I354-R359 PolarHBondContact O-NE 2.71Å; P355-R359 PolarHBondContact O-N 3.46Å; P356-R359 WeakPolarHBondContact O-CB 3.43Å; P356-R359 PolarHBondContact O-N 3.3Å; Q357-R359 VanDerWaalsContact C-N 3.31Å; Q357-R359 PolarHBondContact O-N 2.95Å; R359-I362 PolarHBondContact O-N 3.14Å; R359-R363 WeakPolarHBondContact O-CB 3.36Å; R359-R363 PolarHBondContact O-N 2.83Å
360E93.4Very high91.1Very high87 Ų87120.2 Ų120.241%0.40761%0.61SS.*Hα-helixtrans-63.2-47.1177.1-164.860.4-120.900111.2P356 Q357 S358 I362 R363 Q364P356-E360 PolarHBondContact O-N 3.02Å; Q357-E360 PolarHBondContact O-N 2.89Å; S358-E360 VanDerWaalsContact C-N 3.34Å; E360-I362 VanDerWaalsContact C-N 3.34Å; E360-I362 PolarHBondContact O-N 2.54Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.02Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-NH1 2.89Å; E360-R363 PolarHBondContact OE1-NH1 3.35Å; E360-R363 IonicContact OE2-CZ 2.78Å; E360-R363 IonicContact OE2-NH1 2.6Å; E360-R363 PolarHBondContact OE2-NH1 2.9Å; E360-Q364 WeakPolarHBondContact O-CG 3.49Å; E360-Q364 PolarHBondContact O-N 2.88Å; E360-Q364 VanDerWaalsContact O-N 3.07Å
361I94.3Very high90.9Very high96 Ų96120.1 Ų120.149%0.49261%0.614SS.*Hα-helixtrans-59.2-46.6177.1-62.4168.9000110.4Q357 S358 R363 Q364 H365Q357-I361 PolarHBondContact O-N 2.9Å; S358-I361 PolarHBondContact O-N 2.72Å; I361-R363 VanDerWaalsContact C-N 3.32Å; I361-R363 PolarHBondContact O-N 2.84Å; I361-Q364 PolarHBondContact O-N 2.8Å; I361-H365 PolarHBondContact O-CD2 3.02Å; I361-H365 PolarHBondContact O-N 3.25Å
362I92.6Very high90.7Very high71 Ų71123 Ų12336%0.36462%0.624SS.*Hα-helixtrans-61.6-41.2177.9-68.8165.8000111I354 S358 R359 E360 Q364 H365 L366I354-I362 HydrophobicContact CD1-CD1 4.23Å; I354-I362 HydrophobicContact CG2-CD1 4.05Å; S358-I362 WeakPolarHBondContact O-CB 3.48Å; S358-I362 WeakPolarHBondContact O-CD1 3.37Å; S358-I362 WeakPolarHBondContact O-CG1 2.84Å; S358-I362 PolarHBondContact O-N 3.3Å; R359-I362 PolarHBondContact O-N 3.14Å; E360-I362 VanDerWaalsContact C-N 3.34Å; E360-I362 PolarHBondContact O-N 2.54Å; I362-Q364 VanDerWaalsContact C-N 3.28Å; I362-Q364 PolarHBondContact O-N 3.15Å; I362-H365 PolarHBondContact O-N 2.94Å; I362-L366 HydrophobicContact CG2-CD1 3.39Å; I362-L366 HydrophobicContact CG2-CG 3.85Å; I362-L366 WeakPolarHBondContact O-CB 3.18Å; I362-L366 PolarHBondContact O-N 3.43Å
363R90.8Very high90.4Very high146 Ų146122.1 Ų122.155%0.55162%0.617SS**Hα-helixtrans-62-35.6178.3-169.4-174.4-62111.5-4.3112.4R359 E360 I361R359-R363 WeakPolarHBondContact O-CB 3.36Å; R359-R363 PolarHBondContact O-N 2.83Å; E360-R363 WeakPolarHBondContact O-CB 3.38Å; E360-R363 PolarHBondContact O-N 3.02Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-NH1 2.89Å; E360-R363 PolarHBondContact OE1-NH1 3.35Å; E360-R363 IonicContact OE2-CZ 2.78Å; E360-R363 IonicContact OE2-NH1 2.6Å; E360-R363 PolarHBondContact OE2-NH1 2.9Å; I361-R363 VanDerWaalsContact C-N 3.32Å; I361-R363 PolarHBondContact O-N 2.84Å
364Q94Very high90.2Very high135 Ų135115.6 Ų115.663%0.63160%0.602SS**Hα-helixtrans-72.8-29.4179.1-69.91750.100113.2E360 I361 I362E360-Q364 WeakPolarHBondContact O-CG 3.49Å; E360-Q364 PolarHBondContact O-N 2.88Å; E360-Q364 VanDerWaalsContact O-N 3.07Å; I361-Q364 PolarHBondContact O-N 2.8Å; I362-Q364 VanDerWaalsContact C-N 3.28Å; I362-Q364 PolarHBondContact O-N 3.15Å
365H91.1Very high89.9Confident148 Ų148119.9 Ų119.969%0.68563%0.625SS**Hα-helixtrans-103.9-21.7-172.7-70.3-63.6000115.1I361 I362I361-H365 PolarHBondContact O-CD2 3.02Å; I361-H365 PolarHBondContact O-N 3.25Å; I362-H365 PolarHBondContact O-N 2.94Å
366L89.9Confident89.5Confident89 Ų89123 Ų12347%0.46663%0.634SS.*SBendtrans-86.9142.1174.6-66.2-173.1000110.9I362I362-L366 HydrophobicContact CG2-CD1 3.39Å; I362-L366 HydrophobicContact CG2-CG 3.85Å; I362-L366 WeakPolarHBondContact O-CB 3.18Å; I362-L366 PolarHBondContact O-N 3.43Å
367P86.8Confident89.1Confident116 Ų116124.1 Ų124.175%0.75363%0.628SS**PPolyproline II helixtrans-62.6141.5-179.425.6-33.4000111.2S369P367-S369 PolarHBondContact O-N 2.84Å
368Q79.6Confident88.6Confident182 Ų182120.9 Ų120.985%0.8562%0.618SS**PPolyproline II helixtrans-72.3124.8161-74.2-178.9-4.200107.3
369S63.8Low88.1Confident190 Ų190127.4 Ų127.4100%1.32964%0.642SS**  trans-51.70-176.753.70000114.2P367P367-S369 PolarHBondContact O-N 2.84Å

Retrieved 369 of 369 residues in 60.8 ms (Link to these results)

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