A0A096LPH4_HUMAN Loading...

Thioredoxin reductase 2

AlphaFold DB , UniProt , Accession A0A096LPH4, Species HUMAN (Homo sapiens, Human), Gene TXNRD2, Length 165 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
1M30.4Very low68.4Low230 Ų230119.9 Ų119.9100%1.13364%0.636SS**  0101.70-92.1174.8165.400109.1
2K35.5Very low70Confident208 Ų208115.6 Ų115.690%0.90463%0.63SS**  trans-102.5101.6152.4-81.4-175.1176.5179.60105.2G4K2-G4 PolarHBondContact O-N 2.86Å
3T50Low71.5Confident139 Ų139115.5 Ų115.585%0.85363%0.627SS**  trans-81.225.1-177.534.20000112.8
4G60.2Low72.9Confident58 Ų58114.6 Ų114.660%0.59862%0.618SS**SBendtrans-114.1145.2-17800000112.1K2K2-G4 PolarHBondContact O-N 2.86Å
5R78Confident74.1Confident171 Ų171108.4 Ų108.465%0.64559%0.589SS**  trans-66.6154166.8-68.9170.1175.9178.87.2109.1E7 Y33R5-E7 PolarHBondContact O-N 3.37Å; R5-Y33 HydrophobicContact CB-CD1 4.22Å; R5-Y33 HydrophobicContact CB-CE1 3.96Å; R5-Y33 VanDerWaalsContact CD-CZ 3.41Å; R5-Y33 WeakPolarHBondContact CD-OH 3.25Å; R5-Y33 HydrophobicContact CG-CD1 4.15Å; R5-Y33 HydrophobicContact CG-CE1 3.82Å; R5-Y33 VanDerWaalsContact CZ-OH 3.31Å; R5-Y33 PolarHBondContact NE-OH 2.96Å; R5-Y33 PolarHBondContact NH1-OH 3.33Å
6P78.5Confident75.2Confident58 Ų58103.7 Ų103.738%0.37757%0.573SS.*  trans-63.5134.9-179.3-6.718.4000111L8 I11P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 3.23Å; P6-L8 VanDerWaalsContact O-N 3.1Å; P6-I11 HydrophobicContact CB-CD1 3.43Å; P6-I11 VanDerWaalsContact CB-CD1 3.43Å; P6-I11 HydrophobicContact CG-CD1 3.64Å; P6-I11 WeakPolarHBondContact O-CD1 3.44Å
7E82.5Confident76.4Confident193 Ų193107.5 Ų107.590%0.90258%0.577SS**  trans-88.567.7-172.7-64.5177.9174.400110.8R5R5-E7 PolarHBondContact O-N 3.37Å
8L81.4Confident77.3Confident53 Ų53102.9 Ų102.928%0.27755%0.552SS.*  trans-122.9138.5-177.5-58.7173.5000111.8P6 I11 A12 V36 T38P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 3.23Å; P6-L8 VanDerWaalsContact O-N 3.1Å; L8-I11 HydrophobicContact CB-CB 4.43Å; L8-I11 HydrophobicContact CB-CD1 3.91Å; L8-I11 HydrophobicContact CB-CG1 4.07Å; L8-I11 HydrophobicContact CD1-CD1 3.98Å; L8-I11 HydrophobicContact CG-CD1 4.2Å; L8-I11 WeakPolarHBondContact O-CB 3.29Å; L8-I11 PolarHBondContact O-N 3.08Å; L8-A12 PolarHBondContact O-N 2.87Å; L8-A12 VanDerWaalsContact O-N 3.15Å; L8-V36 HydrophobicContact CD1-CG1 4.2Å; L8-T38 HydrophobicContact CD1-CG2 4.24Å; L8-T38 WeakPolarHBondContact CD1-OG1 3.38Å; L8-T38 HydrophobicContact CD2-CG2 4.24Å
9T84.1Confident78.3Confident107 Ų107101.7 Ų101.766%0.65655%0.545SS*.Hα-helixtrans-53.1-45.6179.1-53.80000113.4I11 A12 I13T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.18Å; T9-A12 PolarHBondContact O-N 2.92Å; T9-I13 HydrophobicContact CG2-CD1 3.97Å; T9-I13 WeakPolarHBondContact O-CG1 3.23Å; T9-I13 PolarHBondContact O-N 2.94Å; T9-I13 VanDerWaalsContact O-N 3.12Å
10P83Confident79.2Confident93 Ų93100.9 Ų100.960%0.60454%0.544SS*.Hα-helixtrans-63.2-32.3178.1-22.835.4000113.4M14P10-M14 WeakPolarHBondContact O-CB 3.29Å; P10-M14 PolarHBondContact O-N 3.38Å
11I88.4Confident79.9Confident9 Ų999.2 Ų99.25%0.04653%0.532CS..Hα-helixtrans-65.8-47.1175.9-67176.4000110.1P6 L8 T9 I13 M14 A15 M31 Y33 V36P6-I11 HydrophobicContact CB-CD1 3.43Å; P6-I11 VanDerWaalsContact CB-CD1 3.43Å; P6-I11 HydrophobicContact CG-CD1 3.64Å; P6-I11 WeakPolarHBondContact O-CD1 3.44Å; L8-I11 HydrophobicContact CB-CB 4.43Å; L8-I11 HydrophobicContact CB-CD1 3.91Å; L8-I11 HydrophobicContact CB-CG1 4.07Å; L8-I11 HydrophobicContact CD1-CD1 3.98Å; L8-I11 HydrophobicContact CG-CD1 4.2Å; L8-I11 WeakPolarHBondContact O-CB 3.29Å; L8-I11 PolarHBondContact O-N 3.08Å; T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.18Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 3.46Å; I11-M14 PolarHBondContact O-N 3.3Å; I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.33Å; I11-M31 HydrophobicContact CG1-CE 4.38Å; I11-M31 HydrophobicContact CG2-CE 4.32Å; I11-Y33 HydrophobicContact CG2-CD1 4.11Å; I11-Y33 HydrophobicContact CG2-CE1 3.58Å; I11-V36 HydrophobicContact CD1-CB 4.26Å; I11-V36 HydrophobicContact CD1-CG1 3.75Å; I11-V36 HydrophobicContact CD1-CG2 4.16Å; I11-V36 HydrophobicContact CG1-CG1 3.79Å; I11-V36 HydrophobicContact CG1-CG2 4.35Å
12A88Confident83.1Confident68 Ų6891.9 Ų91.956%0.56249%0.492SS*.Hα-helixtrans-60.4-43.2179.800000111.6L8 T9 G16L8-A12 PolarHBondContact O-N 2.87Å; L8-A12 VanDerWaalsContact O-N 3.15Å; T9-A12 PolarHBondContact O-N 2.92Å; A12-G16 PolarHBondContact O-N 3.33Å
13I89.6Confident86Confident115 Ų11587.4 Ų87.459%0.5948%0.477SS*.Hα-helixtrans-63-49.5177.3-66.1168.8000110.9T9 I11 G16 R17T9-I13 HydrophobicContact CG2-CD1 3.97Å; T9-I13 WeakPolarHBondContact O-CG1 3.23Å; T9-I13 PolarHBondContact O-N 2.94Å; T9-I13 VanDerWaalsContact O-N 3.12Å; I11-I13 VanDerWaalsContact C-N 3.32Å; I11-I13 PolarHBondContact O-N 3.46Å; I13-G16 PolarHBondContact O-N 3.44Å; I13-R17 WeakPolarHBondContact O-CB 3.33Å; I13-R17 PolarHBondContact O-N 3.04Å
14M90.6Very high88.2Confident102 Ų10289 Ų8950%0.50247%0.473SS..Hα-helixtrans-66.3-43.7-178.2-171.6174.9-71.700111.8P10 I11 G16 R17 L18 M31P10-M14 WeakPolarHBondContact O-CB 3.29Å; P10-M14 PolarHBondContact O-N 3.38Å; I11-M14 PolarHBondContact O-N 3.3Å; M14-G16 VanDerWaalsContact C-N 3.32Å; M14-G16 PolarHBondContact O-N 2.88Å; M14-R17 PolarHBondContact O-N 2.78Å; M14-L18 HydrophobicContact CG-CD1 4.02Å; M14-L18 HydrophobicContact CG-CG 4.41Å; M14-L18 WeakPolarHBondContact O-CB 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.42Å; M14-L18 PolarHBondContact O-N 2.73Å; M14-M31 HydrophobicContact CB-CE 4.1Å; M14-M31 HydrophobicContact CB-SD 3.81Å; M14-M31 HydrophobicContact CG-CE 4.13Å; M14-M31 HydrophobicContact CG-SD 3.47Å; M14-M31 WeakPolarHBondContact CG-SD 3.3Å; M14-M31 HydrophobicContact SD-CE 3.71Å; M14-M31 HydrophobicContact SD-SD 3.55Å
15A90.9Very high89.9Confident22 Ų2289 Ų8918%0.18247%0.474CS..Hα-helixtrans-60.7-41.4176.400000111.8I11 L19 M31I11-A15 WeakPolarHBondContact O-CB 3.45Å; I11-A15 PolarHBondContact O-N 3.33Å; A15-L19 VanDerWaalsContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CB 3.26Å; A15-L19 PolarHBondContact O-N 2.81Å; A15-M31 HydrophobicContact CB-CB 4.48Å; A15-M31 HydrophobicContact CB-CG 4.39Å
16G92.5Very high90.7Very high33 Ų3384.5 Ų84.534%0.3448%0.48SS..Hα-helixtrans-63.8-46.717500000112.6A12 I13 M14 L19 V20A12-G16 PolarHBondContact O-N 3.33Å; I13-G16 PolarHBondContact O-N 3.44Å; M14-G16 VanDerWaalsContact C-N 3.32Å; M14-G16 PolarHBondContact O-N 2.88Å; G16-L19 WeakPolarHBondContact O-CB 3.26Å; G16-L19 PolarHBondContact O-N 2.73Å; G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 3.47Å
17R94.4Very high91.5Very high169 Ų16983.2 Ų83.264%0.63847%0.473SS*.Hα-helixtrans-59.4-49176.5177.1179.2164.1176.9-3.9111.9I13 M14 L19 V20 Q21I13-R17 WeakPolarHBondContact O-CB 3.33Å; I13-R17 PolarHBondContact O-N 3.04Å; M14-R17 PolarHBondContact O-N 2.78Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.39Å; R17-V20 PolarHBondContact O-N 3.38Å; R17-Q21 WeakPolarHBondContact O-CG 3.38Å; R17-Q21 PolarHBondContact O-N 3.36Å
18L94.1Very high92.2Very high24 Ų2479 Ų7913%0.12646%0.464CS..Hα-helixtrans-64.1-36.2179-68.5172.1000111.3M14 Q21 R22 D29 M31M14-L18 HydrophobicContact CG-CD1 4.02Å; M14-L18 HydrophobicContact CG-CG 4.41Å; M14-L18 WeakPolarHBondContact O-CB 3.28Å; M14-L18 WeakPolarHBondContact O-CG 3.42Å; M14-L18 PolarHBondContact O-N 2.73Å; L18-Q21 PolarHBondContact O-N 2.77Å; L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.36Å; L18-R22 PolarHBondContact O-NH1 2.78Å; L18-D29 HydrophobicContact CD2-CB 4.05Å; L18-M31 HydrophobicContact CD1-CB 4.02Å; L18-M31 HydrophobicContact CD1-SD 3.99Å
19L95.2Very high92.8Very high81 Ų8181 Ų8142%0.42448%0.475SS..Hα-helixtrans-61.5-47.6174.2178.764.3000112.2A15 G16 R17 Q21 R22 L23A15-L19 VanDerWaalsContact O-CB 3.31Å; A15-L19 WeakPolarHBondContact O-CB 3.26Å; A15-L19 PolarHBondContact O-N 2.81Å; G16-L19 WeakPolarHBondContact O-CB 3.26Å; G16-L19 PolarHBondContact O-N 2.73Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.39Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.75Å; L19-R22 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CG 4.13Å; L19-L23 HydrophobicContact CG-CD1 3.99Å; L19-L23 HydrophobicContact CG-CG 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.24Å
20V96.4Very high93.2Very high85 Ų8582.1 Ų82.152%0.51548%0.476SS..Hα-helixtrans-60-42.4176.7171.10000110.8G16 R17 R22 L23 F24G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 3.47Å; R17-V20 PolarHBondContact O-N 3.38Å; V20-R22 VanDerWaalsContact C-N 3.33Å; V20-R22 PolarHBondContact O-N 2.94Å; V20-L23 PolarHBondContact O-N 3.14Å; V20-F24 HydrophobicContact CG1-CD2 4.17Å; V20-F24 PolarHBondContact O-N 3.14Å
21Q95.1Very high93.6Very high65 Ų6578.9 Ų78.930%0.30445%0.453SS..Hα-helixtrans-63.9-34.8177.3-72.2179.6-27.600113.1R17 L18 L19 G25 G26 S27R17-Q21 WeakPolarHBondContact O-CG 3.38Å; R17-Q21 PolarHBondContact O-N 3.36Å; L18-Q21 PolarHBondContact O-N 2.77Å; L19-Q21 VanDerWaalsContact C-N 3.3Å; L19-Q21 PolarHBondContact O-N 2.75Å; Q21-G25 CarbonylContact O-C 3.59Å; Q21-G25 WeakPolarHBondContact O-CA 3.21Å; Q21-G25 PolarHBondContact O-N 2.93Å; Q21-G26 PolarHBondContact O-N 3.45Å; Q21-G26 VanDerWaalsContact O-N 3.16Å; Q21-S27 PolarHBondContact O-N 2.73Å; Q21-S27 VanDerWaalsContact O-N 3.17Å
22R96.9Very high93.6Very high76 Ų7681.5 Ų81.529%0.28747%0.468SS..Hα-helixtrans-71.6-43.6173.9-69.7-168.1-59.7-82.3-4.3112.5L18 L19 V20 S27 D29L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.36Å; L18-R22 PolarHBondContact O-NH1 2.78Å; L19-R22 PolarHBondContact O-N 3.49Å; V20-R22 VanDerWaalsContact C-N 3.33Å; V20-R22 PolarHBondContact O-N 2.94Å; R22-S27 WeakPolarHBondContact CA-O 3.38Å; R22-S27 WeakPolarHBondContact CG-O 3.43Å; R22-D29 WeakPolarHBondContact CD-O 3.44Å; R22-D29 PolarHBondContact NH1-O 2.97Å
23L96.1Very high93.5Very high114 Ų11481 Ų8160%0.59745%0.451SS*.Hα-helixtrans-70.8-38.3-177-70.6176.2000112.9L19 V20L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CG 4.13Å; L19-L23 HydrophobicContact CG-CD1 3.99Å; L19-L23 HydrophobicContact CG-CG 4.46Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.24Å; V20-L23 PolarHBondContact O-N 3.14Å
24F97.3Very high93.4Very high172 Ų17280.7 Ų80.775%0.75445%0.451SS*.Hα-helixtrans-126.2-12-168.6-55.1-70.6000114.4V20V20-F24 HydrophobicContact CG1-CD2 4.17Å; V20-F24 PolarHBondContact O-N 3.14Å
25G94.9Very high93.3Very high60 Ų6078.8 Ų78.862%0.61944%0.443SS*.SBendtrans-1131.3-174.400000115.3Q21 S27Q21-G25 CarbonylContact O-C 3.59Å; Q21-G25 WeakPolarHBondContact O-CA 3.21Å; Q21-G25 PolarHBondContact O-N 2.93Å; G25-S27 PolarHBondContact O-N 2.88Å
26G95Very high93.4Very high76 Ų7679.4 Ų79.478%0.78445%0.445SS*.  trans68.710.7-179.900000115.2Q21Q21-G26 PolarHBondContact O-N 3.45Å; Q21-G26 VanDerWaalsContact O-N 3.16Å
27S95.9Very high93.6Very high31 Ų3179.7 Ų79.722%0.21744%0.44CS..  trans-71.7153.7173.5173.80000110.7Q21 R22 G25 D29Q21-S27 PolarHBondContact O-N 2.73Å; Q21-S27 VanDerWaalsContact O-N 3.17Å; R22-S27 WeakPolarHBondContact CA-O 3.38Å; R22-S27 WeakPolarHBondContact CG-O 3.43Å; G25-S27 PolarHBondContact O-N 2.88Å; S27-D29 WeakPolarHBondContact OG-CB 3.37Å; S27-D29 VanDerWaalsContact OG-CG 3.31Å; S27-D29 PolarHBondContact OG-N 3.26Å; S27-D29 PolarHBondContact OG-OD2 3.43Å
28S95.9Very high93.6Very high103 Ų10373.8 Ų73.872%0.7242%0.423SS*.  trans-110.92.1169.258.50000112.8L30S28-L30 PolarHBondContact O-N 3.42Å
29D94.3Very high93.8Very high95 Ų9574.2 Ų74.251%0.50843%0.427SS..PPolyproline II helixtrans-66.5129-173.4-59.5-38.1000110.9L18 R22 S27L18-D29 HydrophobicContact CD2-CB 4.05Å; R22-D29 WeakPolarHBondContact CD-O 3.44Å; R22-D29 PolarHBondContact NH1-O 2.97Å; S27-D29 WeakPolarHBondContact OG-CB 3.37Å; S27-D29 VanDerWaalsContact OG-CG 3.31Å; S27-D29 PolarHBondContact OG-N 3.26Å; S27-D29 PolarHBondContact OG-OD2 3.43Å
30L93.3Very high93.8Very high131 Ų13173.9 Ų73.969%0.68643%0.428SS*.PPolyproline II helixtrans-99156.1174.7-64.7178000110.5S28 D32S28-L30 PolarHBondContact O-N 3.42Å; L30-D32 PolarHBondContact O-N 2.95Å
31M90.3Very high93.8Very high25 Ų2577.1 Ų77.112%0.12344%0.436CS..PPolyproline II helixtrans-67.8123.4170.6-178.767.8-172.400108.5I11 M14 A15 L18 Y33I11-M31 HydrophobicContact CG1-CE 4.38Å; I11-M31 HydrophobicContact CG2-CE 4.32Å; M14-M31 HydrophobicContact CB-CE 4.1Å; M14-M31 HydrophobicContact CB-SD 3.81Å; M14-M31 HydrophobicContact CG-CE 4.13Å; M14-M31 HydrophobicContact CG-SD 3.47Å; M14-M31 WeakPolarHBondContact CG-SD 3.3Å; M14-M31 HydrophobicContact SD-CE 3.71Å; M14-M31 HydrophobicContact SD-SD 3.55Å; A15-M31 HydrophobicContact CB-CB 4.48Å; A15-M31 HydrophobicContact CB-CG 4.39Å; L18-M31 HydrophobicContact CD1-CB 4.02Å; L18-M31 HydrophobicContact CD1-SD 3.99Å; M31-Y33 HydrophobicContact CB-CD2 4.25Å; M31-Y33 HydrophobicContact CB-CE1 4.48Å; M31-Y33 HydrophobicContact CB-CE2 3.53Å; M31-Y33 HydrophobicContact CG-CD1 4.1Å; M31-Y33 HydrophobicContact CG-CD2 3.98Å; M31-Y33 HydrophobicContact CG-CE1 3.66Å; M31-Y33 HydrophobicContact CG-CE2 3.51Å; M31-Y33 HydrophobicContact CG-CG 4.24Å; M31-Y33 VanDerWaalsContact O-CD2 3.3Å; M31-Y33 WeakPolarHBondContact O-CD2 3.31Å; M31-Y33 WeakPolarHBondContact O-CE2 3.41Å
32D88.1Confident93.8Very high64 Ų6477.4 Ų77.434%0.34244%0.442SS..  trans-85.6115168.9175.712.3000108.6L30 D34 K123L30-D32 PolarHBondContact O-N 2.95Å; D32-D34 WeakPolarHBondContact OD1-CB 3.15Å; D32-D34 PolarHBondContact OD1-N 3.27Å; D32-K123 WeakPolarHBondContact OD2-CE 3.47Å; D32-K123 IonicContact OD2-NZ 2.7Å; D32-K123 PolarHBondContact OD2-NZ 3.2Å
33Y87.8Confident93.6Very high57 Ų5780.7 Ų80.722%0.22447%0.473CS..  trans-96.4-2.3-179.1-67.2-84.6000112.7R5 I11 M31R5-Y33 HydrophobicContact CB-CD1 4.22Å; R5-Y33 HydrophobicContact CB-CE1 3.96Å; R5-Y33 VanDerWaalsContact CD-CZ 3.41Å; R5-Y33 WeakPolarHBondContact CD-OH 3.25Å; R5-Y33 HydrophobicContact CG-CD1 4.15Å; R5-Y33 HydrophobicContact CG-CE1 3.82Å; R5-Y33 VanDerWaalsContact CZ-OH 3.31Å; R5-Y33 PolarHBondContact NE-OH 2.96Å; R5-Y33 PolarHBondContact NH1-OH 3.33Å; I11-Y33 HydrophobicContact CG2-CD1 4.11Å; I11-Y33 HydrophobicContact CG2-CE1 3.58Å; M31-Y33 HydrophobicContact CB-CD2 4.25Å; M31-Y33 HydrophobicContact CB-CE1 4.48Å; M31-Y33 HydrophobicContact CB-CE2 3.53Å; M31-Y33 HydrophobicContact CG-CD1 4.1Å; M31-Y33 HydrophobicContact CG-CD2 3.98Å; M31-Y33 HydrophobicContact CG-CE1 3.66Å; M31-Y33 HydrophobicContact CG-CE2 3.51Å; M31-Y33 HydrophobicContact CG-CG 4.24Å; M31-Y33 VanDerWaalsContact O-CD2 3.3Å; M31-Y33 WeakPolarHBondContact O-CD2 3.31Å; M31-Y33 WeakPolarHBondContact O-CE2 3.41Å
34D87.1Confident93.6Very high110 Ų11076.7 Ų76.759%0.58845%0.452SS*.THydrogen-bonded Turntrans-79145.9176.1-66.2-30.4000109.9D32 V36D32-D34 WeakPolarHBondContact OD1-CB 3.15Å; D32-D34 PolarHBondContact OD1-N 3.27Å; D34-V36 PolarHBondContact O-N 2.99Å; D34-V36 VanDerWaalsContact O-N 3.13Å
35N88.3Confident93.6Very high62 Ų6270.8 Ų70.833%0.33243%0.427SS..THydrogen-bonded Turntrans52.636.2176-56-41.1000114.4P37 V49 G50N35-P37 WeakPolarHBondContact O-CD 3.38Å; N35-V49 HydrophobicContact CB-CG2 4.17Å; N35-V49 VanDerWaalsContact O-CG2 3.26Å; N35-V49 WeakPolarHBondContact O-CG2 3.27Å; N35-G50 WeakPolarHBondContact OD1-CA 3.4Å
36V93.5Very high93.8Very high35 Ų3571.8 Ų71.821%0.21241%0.412CS..  trans-70.9119172.2-1780000109.3L8 I11 D34L8-V36 HydrophobicContact CD1-CG1 4.2Å; I11-V36 HydrophobicContact CD1-CB 4.26Å; I11-V36 HydrophobicContact CD1-CG1 3.75Å; I11-V36 HydrophobicContact CD1-CG2 4.16Å; I11-V36 HydrophobicContact CG1-CG1 3.79Å; I11-V36 HydrophobicContact CG1-CG2 4.35Å; D34-V36 PolarHBondContact O-N 2.99Å; D34-V36 VanDerWaalsContact O-N 3.13Å
37P95.6Very high93.9Very high38 Ų3868.1 Ų68.125%0.24738%0.375CS..  trans-66.5143177.827.5-33.9000111N35 C48 V49 T115 A119N35-P37 WeakPolarHBondContact O-CD 3.38Å; P37-C48 CarbonylContact C-O 3.49Å; P37-C48 WeakPolarHBondContact CA-O 3.09Å; P37-V49 HydrophobicContact CB-CB 4.13Å; P37-V49 HydrophobicContact CB-CG2 4.33Å; P37-T115 HydrophobicContact CB-CG2 4Å; P37-A119 HydrophobicContact CB-CB 3.77Å; P37-A119 HydrophobicContact CG-CB 3.73Å
38T95.1Very high94.1Very high46 Ų4667.9 Ų67.928%0.28237%0.373SS..EExtended strand (participates in β ladder)trans-132.7149.3178.7-54.40000109.5L8 G47 C48L8-T38 HydrophobicContact CD1-CG2 4.24Å; L8-T38 WeakPolarHBondContact CD1-OG1 3.38Å; L8-T38 HydrophobicContact CD2-CG2 4.24Å; T38-G47 WeakPolarHBondContact O-CA 3.44Å; T38-C48 PolarHBondContact N-O 3.28Å; T38-C48 PolarHBondContact O-N 2.72Å
39T97.2Very high94.2Very high32 Ų3263.1 Ų63.120%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-138134.3171.7-59.40000110.2F41 Y46 A111 G112T39-F41 HydrophobicContact CG2-CD1 4.22Å; T39-F41 HydrophobicContact CG2-CE1 3.88Å; T39-F41 HydrophobicContact CG2-CE2 4.25Å; T39-F41 HydrophobicContact CG2-CZ 3.89Å; T39-Y46 CarbonylContact C-O 3.58Å; T39-Y46 VanDerWaalsContact CA-O 3.26Å; T39-Y46 WeakPolarHBondContact CA-O 3.37Å; T39-A111 HydrophobicContact CG2-CB 4.46Å; T39-G112 VanDerWaalsContact OG1-CA 3.24Å; T39-G112 WeakPolarHBondContact OG1-CA 3.48Å
40V96.4Very high94.3Very high75 Ų7559.9 Ų59.946%0.45533%0.328SS..EExtended strand (participates in β ladder)trans-103.4114173.3-170.60000107.9T42 Y46V40-T42 VanDerWaalsContact C-N 3.26Å; V40-T42 HydrophobicContact CB-CG2 4.46Å; V40-T42 HydrophobicContact CG1-CG2 3.62Å; V40-T42 PolarHBondContact O-N 3.33Å; V40-Y46 HydrophobicContact CB-CD1 4.49Å; V40-Y46 HydrophobicContact CG2-CD1 4.14Å; V40-Y46 PolarHBondContact N-O 3.19Å; V40-Y46 PolarHBondContact O-N 2.76Å
41F95.8Very high94.5Very high153 Ų15354.5 Ų54.567%0.67130%0.3SS*.  trans-84.662.8-176.7-62.1-81.3000111.9T39 E45T39-F41 HydrophobicContact CG2-CD1 4.22Å; T39-F41 HydrophobicContact CG2-CE1 3.88Å; T39-F41 HydrophobicContact CG2-CE2 4.25Å; T39-F41 HydrophobicContact CG2-CZ 3.89Å; F41-E45 HydrophobicContact CD1-CG 4.18Å
42T94.6Very high94.9Very high70 Ų7054.1 Ų54.143%0.42930%0.3SS..SBendtrans-78.9173.8167.990.90000110.3V40 L44V40-T42 VanDerWaalsContact C-N 3.26Å; V40-T42 HydrophobicContact CB-CG2 4.46Å; V40-T42 HydrophobicContact CG1-CG2 3.62Å; V40-T42 PolarHBondContact O-N 3.33Å; T42-L44 CarbonylContact O-C 3.53Å; T42-L44 PolarHBondContact O-N 3.21Å; T42-L44 PolarHBondContact OG1-N 3.35Å; T42-L44 PolarHBondContact OG1-O 3.42Å
43P93.8Very high95.4Very high145 Ų14552.9 Ų52.994%0.94229%0.292SS*.SBendtrans-51.6-29.9176.2-28.736.8000114.4
44L94.8Very high95.9Very high31 Ų3156.5 Ų56.516%0.16231%0.311CS..SBendtrans-114.2110163.3-167.665.1000107.9T42 Q86 L107T42-L44 CarbonylContact O-C 3.53Å; T42-L44 PolarHBondContact O-N 3.21Å; T42-L44 PolarHBondContact OG1-N 3.35Å; T42-L44 PolarHBondContact OG1-O 3.42Å; L44-Q86 HydrophobicContact CD2-CB 3.73Å; L44-L107 HydrophobicContact CB-CD1 4.41Å; L44-L107 HydrophobicContact CD2-CD1 3.97Å; L44-L107 HydrophobicContact CD2-CD2 4.27Å; L44-L107 HydrophobicContact CD2-CG 3.78Å; L44-L107 HydrophobicContact CG-CD1 3.99Å; L44-L107 HydrophobicContact CG-CG 4.19Å
45E98.3Very high96.4Very high47 Ų4755.5 Ų55.522%0.2230%0.303CS..  trans-65145.8-172.5-57.6175.5-172.500111.6F41 L107 G108 N110 A111F41-E45 HydrophobicContact CD1-CG 4.18Å; E45-L107 WeakPolarHBondContact O-CA 3.45Å; E45-G108 WeakPolarHBondContact CB-O 3.22Å; E45-G108 PolarHBondContact O-N 3.2Å; E45-N110 VanDerWaalsContact OE2-CA 3.31Å; E45-N110 WeakPolarHBondContact OE2-CA 3.21Å; E45-N110 PolarHBondContact OE2-N 2.85Å; E45-A111 HydrophobicContact CB-CB 3.61Å; E45-A111 PolarHBondContact OE2-N 2.88Å
46Y98.5Very high96.9Very high81 Ų8152.6 Ų52.632%0.31829%0.287SS..EExtended strand (participates in β ladder)trans-122.5113.3174.7168.6-118.6000109.9T39 V40 C48 H105 F106T39-Y46 CarbonylContact C-O 3.58Å; T39-Y46 VanDerWaalsContact CA-O 3.26Å; T39-Y46 WeakPolarHBondContact CA-O 3.37Å; V40-Y46 HydrophobicContact CB-CD1 4.49Å; V40-Y46 HydrophobicContact CG2-CD1 4.14Å; V40-Y46 PolarHBondContact N-O 3.19Å; V40-Y46 PolarHBondContact O-N 2.76Å; Y46-C48 HydrophobicContact CE1-CB 4.26Å; Y46-C48 HydrophobicContact CE2-CB 4.19Å; Y46-C48 WeakPolarHBondContact OH-CB 3.42Å; Y46-H105 HydrophobicContact CE2-CB 4.07Å; Y46-H105 AromaticContact CZ-ND1 3.85Å; Y46-H105 PolarHBondContact OH-ND1 2.97Å; Y46-F106 CarbonylContact C-O 3.58Å; Y46-F106 WeakPolarHBondContact CA-O 3.36Å
47G98.4Very high97.1Very high0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-105.2139.1174.800000111T38 F106 T115T38-G47 WeakPolarHBondContact O-CA 3.44Å; G47-F106 PolarHBondContact N-O 2.85Å; G47-F106 PolarHBondContact O-N 2.7Å; G47-T115 WeakPolarHBondContact CA-OG1 3.39Å
48C98.4Very high97.2Very high26 Ų2655 Ų5518%0.17631%0.31CS..EExtended strand (participates in β ladder)trans-146.5154.3172.9650000113.2P37 T38 Y46 L104 T115P37-C48 CarbonylContact C-O 3.49Å; P37-C48 WeakPolarHBondContact CA-O 3.09Å; T38-C48 PolarHBondContact N-O 3.28Å; T38-C48 PolarHBondContact O-N 2.72Å; Y46-C48 HydrophobicContact CE1-CB 4.26Å; Y46-C48 HydrophobicContact CE2-CB 4.19Å; Y46-C48 WeakPolarHBondContact OH-CB 3.42Å; C48-L104 CarbonylContact C-O 3.19Å; C48-L104 WeakPolarHBondContact CA-O 3.47Å; C48-T115 WeakPolarHBondContact O-CG2 3.15Å
49V98.1Very high97.3Very high2 Ų260.3 Ų60.31%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-146.8143171.556.20000109.3N35 P37 G103 L104 T115 A119 I122N35-V49 HydrophobicContact CB-CG2 4.17Å; N35-V49 VanDerWaalsContact O-CG2 3.26Å; N35-V49 WeakPolarHBondContact O-CG2 3.27Å; P37-V49 HydrophobicContact CB-CB 4.13Å; P37-V49 HydrophobicContact CB-CG2 4.33Å; V49-G103 CarbonylContact O-C 3.56Å; V49-G103 WeakPolarHBondContact O-CA 3.33Å; V49-L104 HydrophobicContact CG1-CB 3.96Å; V49-L104 PolarHBondContact N-O 3.12Å; V49-L104 PolarHBondContact O-N 2.79Å; V49-T115 HydrophobicContact CB-CG2 4.09Å; V49-T115 HydrophobicContact CG1-CG2 4.04Å; V49-A119 HydrophobicContact CB-CB 4.23Å; V49-A119 HydrophobicContact CG1-CB 4.36Å; V49-A119 HydrophobicContact CG2-CB 3.81Å; V49-I122 HydrophobicContact CG1-CD1 3.55Å
50G96.9Very high97.4Very high27 Ų2762.2 Ų62.228%0.27833%0.331SS..EExtended strand (participates in β ladder)trans79.6-155.8-179.600000113.8N35 L102N35-G50 WeakPolarHBondContact OD1-CA 3.4Å; G50-L102 CarbonylContact C-O 3.54Å; G50-L102 WeakPolarHBondContact CA-O 3.42Å
51L97.8Very high97.5Very high18 Ų1859.5 Ų59.59%0.09432%0.319CS..  trans-75.1143.2-173-58-175000111.8E55 A56 L102 H105L51-E55 HydrophobicContact CB-CB 4.38Å; L51-A56 HydrophobicContact CB-CB 4.22Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; L51-L102 HydrophobicContact CD1-CB 4.34Å; L51-L102 PolarHBondContact N-O 3.39Å; L51-H105 PolarHBondContact O-NE2 2.74Å; L51-H105 VanDerWaalsContact O-NE2 3.14Å
52S98.3Very high97.6Very high17 Ų1757.3 Ų57.312%0.11931%0.311CS..  trans-66.7166.5159.8800000111.3E54 E55 A56S52-E54 WeakPolarHBondContact CB-OE1 2.99Å; S52-E54 WeakPolarHBondContact OG-CG 3.3Å; S52-E54 PolarHBondContact OG-OE1 3.17Å; S52-E54 PolarHBondContact OG-OE2 3.16Å; S52-E55 PolarHBondContact N-OE2 2.99Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 2.91Å; S52-E55 WeakPolarHBondContact OG-CB 3.27Å; S52-E55 VanDerWaalsContact OG-CG 3.23Å; S52-E55 WeakPolarHBondContact OG-CG 3.45Å; S52-E55 PolarHBondContact OG-N 3.47Å; S52-E55 PolarHBondContact OG-OE2 3.37Å; S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.91Å
53E98.4Very high97.7Very high39 Ų3959 Ų5918%0.18231%0.314CS..Hα-helixtrans-65.4-46.3-178.9173.7173.8164.200111.2E55 A56 V57 V67 K90 V92 K152E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 2.92Å; E53-A56 PolarHBondContact O-N 3.4Å; E53-V57 VanDerWaalsContact O-CG2 3.29Å; E53-V57 WeakPolarHBondContact O-CG2 3.44Å; E53-V57 PolarHBondContact O-N 3.47Å; E53-V67 HydrophobicContact CG-CG2 3.9Å; E53-K90 IonicContact OE2-NZ 2.72Å; E53-K90 PolarHBondContact OE2-NZ 3.34Å; E53-V92 HydrophobicContact CB-CG2 4.29Å; E53-K152 WeakPolarHBondContact OE1-CD 3.42Å; E53-K152 IonicContact OE1-NZ 3.6Å; E53-K152 PolarHBondContact OE1-NZ 2.97Å; E53-K152 IonicContact OE2-NZ 2.78Å; E53-K152 PolarHBondContact OE2-NZ 3.43Å
54E98.1Very high98Very high132 Ų13255.9 Ų55.962%0.61729%0.286SS*.Hα-helixtrans-64.1-35.4176.161.8-78.4-17900112.6S52 A58S52-E54 WeakPolarHBondContact CB-OE1 2.99Å; S52-E54 WeakPolarHBondContact OG-CG 3.3Å; S52-E54 PolarHBondContact OG-OE1 3.17Å; S52-E54 PolarHBondContact OG-OE2 3.16Å; E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.4Å; E54-A58 PolarHBondContact O-N 3.23Å
55E97.9Very high98.1Very high90 Ų9054.6 Ų54.642%0.42128%0.28SS..Hα-helixtrans-69.6-42.1173.7-74.2177.514900112L51 S52 E53 V57 A58 R59L51-E55 HydrophobicContact CB-CB 4.38Å; S52-E55 PolarHBondContact N-OE2 2.99Å; S52-E55 VanDerWaalsContact N-OE2 3.14Å; S52-E55 PolarHBondContact O-N 2.91Å; S52-E55 WeakPolarHBondContact OG-CB 3.27Å; S52-E55 VanDerWaalsContact OG-CG 3.23Å; S52-E55 WeakPolarHBondContact OG-CG 3.45Å; S52-E55 PolarHBondContact OG-N 3.47Å; S52-E55 PolarHBondContact OG-OE2 3.37Å; E53-E55 VanDerWaalsContact C-N 3.33Å; E53-E55 PolarHBondContact O-N 2.92Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-A58 PolarHBondContact O-N 2.85Å; E55-R59 WeakPolarHBondContact O-CB 3.35Å; E55-R59 VanDerWaalsContact O-CG 3.28Å; E55-R59 WeakPolarHBondContact O-CG 3.15Å; E55-R59 PolarHBondContact O-N 3.35Å
56A98.3Very high98.2Very high0 Ų053.2 Ų53.20%027%0.273CS..Hα-helixtrans-61.5-44.417600000111L51 S52 E53 R59 H60 V65 V92 L102L51-A56 HydrophobicContact CB-CB 4.22Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; S52-A56 WeakPolarHBondContact O-CB 3.28Å; S52-A56 PolarHBondContact O-N 2.91Å; E53-A56 PolarHBondContact O-N 3.4Å; A56-R59 PolarHBondContact O-N 2.81Å; A56-H60 WeakPolarHBondContact O-CB 3.43Å; A56-H60 PolarHBondContact O-CD2 2.9Å; A56-H60 PolarHBondContact O-N 3.04Å; A56-V65 HydrophobicContact CB-CG1 4.34Å; A56-V65 HydrophobicContact CB-CG2 4.1Å; A56-V92 HydrophobicContact CB-CG1 3.56Å; A56-L102 HydrophobicContact CB-CD1 4.07Å
57V98.4Very high98.2Very high37 Ų3749.8 Ų49.822%0.22426%0.261CS..Hα-helixtrans-63.8-43.6175.9170.50000111.2E53 E55 R59 G61 Q62 V65E53-V57 VanDerWaalsContact O-CG2 3.29Å; E53-V57 WeakPolarHBondContact O-CG2 3.44Å; E53-V57 PolarHBondContact O-N 3.47Å; E55-V57 VanDerWaalsContact C-N 3.34Å; V57-R59 VanDerWaalsContact C-N 3.28Å; V57-R59 PolarHBondContact O-N 3Å; V57-G61 VanDerWaalsContact O-CA 3.29Å; V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 3Å; V57-Q62 HydrophobicContact CG1-CB 4.08Å; V57-Q62 VanDerWaalsContact CG1-OE1 3.31Å; V57-V65 HydrophobicContact CG2-CB 4.29Å; V57-V65 HydrophobicContact CG2-CG1 4.38Å; V57-V65 HydrophobicContact CG2-CG2 4.34Å
58A98.3Very high98.2Very high86 Ų8651 Ų5171%0.71127%0.266SS*.Hα-helixtrans-63.7-33177.900000113E54 E55E54-A58 VanDerWaalsContact O-CB 3.25Å; E54-A58 WeakPolarHBondContact O-CB 3.4Å; E54-A58 PolarHBondContact O-N 3.23Å; E55-A58 PolarHBondContact O-N 2.85Å
59R97.8Very high98.2Very high158 Ų15850.6 Ų50.660%0.59626%0.261SS*.Hα-helixtrans-84.9-37.9-179.4-70.3-177.4-162.6-159.27.4113.7E55 A56 V57E55-R59 WeakPolarHBondContact O-CB 3.35Å; E55-R59 VanDerWaalsContact O-CG 3.28Å; E55-R59 WeakPolarHBondContact O-CG 3.15Å; E55-R59 PolarHBondContact O-N 3.35Å; A56-R59 PolarHBondContact O-N 2.81Å; V57-R59 VanDerWaalsContact C-N 3.28Å; V57-R59 PolarHBondContact O-N 3Å
60H97.9Very high98.1Very high72 Ų7251 Ų5133%0.33327%0.265SS..Hα-helixtrans-114.7-14.7-168.4-60.6-75.1000114.1A56 H64 V65 L94A56-H60 WeakPolarHBondContact O-CB 3.43Å; A56-H60 PolarHBondContact O-CD2 2.9Å; A56-H60 PolarHBondContact O-N 3.04Å; H60-H64 HydrophobicContact CB-CB 4.37Å; H60-H64 WeakPolarHBondContact O-CB 3.21Å; H60-H64 PolarHBondContact O-CD2 3.15Å; H60-V65 HydrophobicContact CB-CG2 4.14Å; H60-L94 HydrophobicContact CB-CD2 4.24Å
61G98.3Very high98.1Very high18 Ų1852.5 Ų52.519%0.18626%0.264CS..  trans89.6143.1-173.700000112.9V57 E63 H64 V65V57-G61 VanDerWaalsContact O-CA 3.29Å; V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 3Å; G61-E63 WeakPolarHBondContact CA-OE1 3.47Å; G61-E63 PolarHBondContact O-N 3.1Å; G61-H64 PolarHBondContact O-N 2.99Å; G61-V65 PolarHBondContact O-N 2.8Å
62Q97.9Very high98Very high108 Ų10852.1 Ų52.151%0.50526%0.262SS..THydrogen-bonded Turntrans-59.7-33.9-175.9-179.265.62700111.9V57 H64 R153V57-Q62 HydrophobicContact CG1-CB 4.08Å; V57-Q62 VanDerWaalsContact CG1-OE1 3.31Å; Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.24Å; Q62-R153 PolarHBondContact O-NH2 3.13Å
63E97.9Very high97.8Very high106 Ų10656.8 Ų56.850%0.49528%0.28SS..THydrogen-bonded Turntrans-71.4-18.8178.964.5-69.5158.900113.7G61 R95G61-E63 WeakPolarHBondContact CA-OE1 3.47Å; G61-E63 PolarHBondContact O-N 3.1Å; E63-R95 VanDerWaalsContact O-CD 3.26Å; E63-R95 WeakPolarHBondContact O-CD 3.19Å; E63-R95 PolarHBondContact O-NH1 3.04Å
64H98.4Very high97.6Very high78 Ų7855 Ų5536%0.36127%0.272SS..THydrogen-bonded Turntrans-101.2-7.6-179.9-65.7-75000113.7H60 G61 Q62 L94 R95H60-H64 HydrophobicContact CB-CB 4.37Å; H60-H64 WeakPolarHBondContact O-CB 3.21Å; H60-H64 PolarHBondContact O-CD2 3.15Å; G61-H64 PolarHBondContact O-N 2.99Å; Q62-H64 VanDerWaalsContact C-N 3.28Å; Q62-H64 PolarHBondContact O-N 3.24Å; H64-L94 CarbonylContact O-C 3.5Å; H64-R95 PolarHBondContact O-N 3.24Å
65V98.8Very high97.3Very high5 Ų553.2 Ų53.23%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-104.4135.7-178.9178.20000111.4A56 V57 H60 G61 V67 V92 C93 R95 R153A56-V65 HydrophobicContact CB-CG1 4.34Å; A56-V65 HydrophobicContact CB-CG2 4.1Å; V57-V65 HydrophobicContact CG2-CB 4.29Å; V57-V65 HydrophobicContact CG2-CG1 4.38Å; V57-V65 HydrophobicContact CG2-CG2 4.34Å; H60-V65 HydrophobicContact CB-CG2 4.14Å; G61-V65 PolarHBondContact O-N 2.8Å; V65-V67 HydrophobicContact CG1-CG2 4.12Å; V65-V92 HydrophobicContact CG1-CG1 3.77Å; V65-C93 WeakPolarHBondContact CA-O 3.2Å; V65-R95 WeakPolarHBondContact O-CD 3.34Å; V65-R153 PolarHBondContact O-NH2 2.71Å
66E98.7Very high97Very high17 Ų1754.7 Ų54.78%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-118.2139.6167.5-159.762.1-105.900109.2Y68 C93 R95 S151 R153E66-Y68 HydrophobicContact CB-CE2 4.1Å; E66-Y68 HydrophobicContact CG-CD2 4.34Å; E66-Y68 HydrophobicContact CG-CE1 4.41Å; E66-Y68 HydrophobicContact CG-CE2 3.69Å; E66-C93 PolarHBondContact N-O 2.97Å; E66-C93 PolarHBondContact O-N 3.13Å; E66-R95 HydrophobicContact CB-CG 3.7Å; E66-R95 IonicContact OE2-NE 3.36Å; E66-R95 PolarHBondContact OE2-NE 3.03Å; E66-S151 VanDerWaalsContact OE1-CB 3.27Å; E66-S151 WeakPolarHBondContact OE1-CB 3.48Å; E66-S151 PolarHBondContact OE1-OG 3.5Å; E66-R153 WeakPolarHBondContact OE1-CB 3.01Å; E66-R153 IonicContact OE1-NE 3.71Å; E66-R153 IonicContact OE2-NE 3.33Å; E66-R153 PolarHBondContact OE2-NE 2.78Å
67V98.8Very high96.7Very high9 Ų956 Ų566%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-123.3113.3177.6-1770000108.9E53 V65 K90 M91 V92 S151 K152E53-V67 HydrophobicContact CG-CG2 3.9Å; V65-V67 HydrophobicContact CG1-CG2 4.12Å; V67-K90 HydrophobicContact CG1-CB 4.16Å; V67-K90 HydrophobicContact CG1-CD 4.31Å; V67-M91 WeakPolarHBondContact CA-O 3.39Å; V67-V92 HydrophobicContact CG2-CG1 4.46Å; V67-V92 HydrophobicContact CG2-CG2 4.37Å; V67-S151 CarbonylContact O-C 3.5Å; V67-S151 WeakPolarHBondContact O-CA 3.39Å; V67-K152 HydrophobicContact CB-CB 4.43Å; V67-K152 HydrophobicContact CB-CD 4.06Å; V67-K152 HydrophobicContact CB-CG 4.29Å; V67-K152 HydrophobicContact CG1-CD 3.95Å; V67-K152 HydrophobicContact CG1-CG 4.31Å; V67-K152 PolarHBondContact O-N 2.7Å
68Y98.6Very high96.2Very high26 Ų2657.2 Ų57.210%0.10229%0.286CS..EExtended strand (participates in β ladder)trans-93.2138.3173.3-60.6-87.4000109.8E66 K90 M91 Y128 I150E66-Y68 HydrophobicContact CB-CE2 4.1Å; E66-Y68 HydrophobicContact CG-CD2 4.34Å; E66-Y68 HydrophobicContact CG-CE1 4.41Å; E66-Y68 HydrophobicContact CG-CE2 3.69Å; Y68-K90 CarbonylContact O-C 3.55Å; Y68-K90 WeakPolarHBondContact O-CA 3.48Å; Y68-M91 PolarHBondContact N-O 2.85Å; Y68-M91 PolarHBondContact O-N 2.92Å; Y68-Y128 AromaticContact CD1-CE2 3.83Å; Y68-Y128 HydrophobicContact CD1-CE2 3.83Å; Y68-Y128 AromaticContact CD1-CZ 3.89Å; Y68-Y128 AromaticContact CD2-CD2 3.66Å; Y68-Y128 HydrophobicContact CD2-CD2 3.66Å; Y68-Y128 AromaticContact CD2-CE2 3.56Å; Y68-Y128 HydrophobicContact CD2-CE2 3.56Å; Y68-Y128 HydrophobicContact CD2-CG 4.39Å; Y68-Y128 HydrophobicContact CE1-CE1 4.09Å; Y68-Y128 AromaticContact CE1-CE2 3.88Å; Y68-Y128 HydrophobicContact CE1-CE2 3.88Å; Y68-Y128 AromaticContact CE1-CZ 3.55Å; Y68-Y128 WeakPolarHBondContact CE1-OH 3.48Å; Y68-Y128 HydrophobicContact CE2-CD1 4.16Å; Y68-Y128 AromaticContact CE2-CD2 3.59Å; Y68-Y128 HydrophobicContact CE2-CD2 3.59Å; Y68-Y128 HydrophobicContact CE2-CE1 4.18Å; Y68-Y128 AromaticContact CE2-CE2 3.61Å; Y68-Y128 HydrophobicContact CE2-CE2 3.61Å; Y68-Y128 AromaticContact CE2-CG 3.87Å; Y68-Y128 HydrophobicContact CE2-CG 3.87Å; Y68-Y128 AromaticContact CE2-CZ 3.92Å; Y68-Y128 HydrophobicContact CG-CD2 4.23Å; Y68-Y128 AromaticContact CG-CE2 3.66Å; Y68-Y128 HydrophobicContact CG-CE2 3.66Å; Y68-Y128 AromaticContact CZ-CE1 3.73Å; Y68-Y128 AromaticContact CZ-CE2 3.76Å; Y68-Y128 AromaticContact CZ-CZ 3.56Å; Y68-I150 CarbonylContact C-O 3.56Å; Y68-I150 VanDerWaalsContact CA-O 3.24Å; Y68-I150 WeakPolarHBondContact CA-O 3.31Å
69H98.4Very high95.6Very high17 Ų1759.7 Ų59.78%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-154.7158-174.268.9156.9000114.1Y88 V89 K90 I150H69-Y88 HydrophobicContact CB-CE2 3.94Å; H69-Y88 WeakPolarHBondContact CB-OH 3.34Å; H69-Y88 AromaticContact ND1-CE2 3.73Å; H69-Y88 AromaticContact ND1-CZ 3.66Å; H69-Y88 PolarHBondContact ND1-OH 3.3Å; H69-V89 VanDerWaalsContact CA-O 3.23Å; H69-V89 WeakPolarHBondContact CA-O 3.48Å; H69-V89 WeakPolarHBondContact CB-O 3.38Å; H69-K90 HydrophobicContact CB-CB 3.9Å; H69-I150 PolarHBondContact N-O 3.43Å
70A97.3Very high95.1Very high11 Ų1154.9 Ų54.99%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-156.9147.4174.600000111.1Y88 V89 L148 P158 V160A70-Y88 WeakPolarHBondContact O-CA 3.35Å; A70-Y88 WeakPolarHBondContact O-CD2 3.47Å; A70-V89 HydrophobicContact CB-CG1 4.34Å; A70-V89 PolarHBondContact N-O 3.23Å; A70-V89 PolarHBondContact O-N 2.93Å; A70-L148 HydrophobicContact CB-CD2 3.8Å; A70-P158 WeakPolarHBondContact CA-O 3.42Å; A70-V160 HydrophobicContact CB-CG2 4.33Å
71H96.3Very high94.4Very high59 Ų5954.7 Ų54.727%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-82.5148.4155-70.7-87.6000109.3S85 C87 Y88 P158 V160H71-S85 PolarHBondContact ND1-O 3Å; H71-C87 WeakPolarHBondContact CA-O 3.47Å; H71-C87 PolarHBondContact ND1-O 3.34Å; H71-Y88 AromaticContact CD2-CD2 3.96Å; H71-Y88 AromaticContact CE1-CD2 3.72Å; H71-Y88 AromaticContact ND1-CD2 3.9Å; H71-Y88 AromaticContact NE2-CD2 3.74Å; H71-P158 PolarHBondContact N-O 3.42Å; H71-V160 WeakPolarHBondContact O-CB 3.45Å; H71-V160 WeakPolarHBondContact O-CG2 3.43Å
72Y95.1Very high93.9Very high10 Ų1061 Ų614%0.03932%0.322CS..  trans-143.2165.3178.670.5-81.7000111.1P74 C87 V89 F106 L107 G108 C141 E144Y72-P74 HydrophobicContact CD2-CG 4.45Å; Y72-P74 HydrophobicContact CE2-CG 4.01Å; Y72-C87 HydrophobicContact CD1-CB 4.04Å; Y72-C87 HydrophobicContact CD2-CB 4.3Å; Y72-C87 HydrophobicContact CE1-CB 3.79Å; Y72-C87 HydrophobicContact CE2-CB 4.07Å; Y72-C87 HydrophobicContact CG-CB 4.29Å; Y72-C87 PolarHBondContact N-O 2.88Å; Y72-C87 VanDerWaalsContact N-O 3.16Å; Y72-C87 WeakPolarHBondContact O-CB 3.49Å; Y72-V89 HydrophobicContact CD1-CG1 4.13Å; Y72-V89 HydrophobicContact CE1-CB 4.49Å; Y72-V89 HydrophobicContact CE1-CG1 4.46Å; Y72-F106 HydrophobicContact CE1-CE2 4.22Å; Y72-F106 HydrophobicContact CE1-CZ 4.3Å; Y72-F106 HydrophobicContact CE2-CZ 4.26Å; Y72-F106 AromaticContact CZ-CE2 3.97Å; Y72-F106 AromaticContact CZ-CZ 3.62Å; Y72-F106 WeakPolarHBondContact OH-CE1 3.18Å; Y72-F106 WeakPolarHBondContact OH-CZ 3.24Å; Y72-L107 PolarHBondContact OH-O 3.27Å; Y72-G108 WeakPolarHBondContact OH-CA 3.45Å; Y72-C141 HydrophobicContact CE2-CB 3.85Å; Y72-E144 HydrophobicContact CD1-CG 4.44Å; Y72-E144 HydrophobicContact CD2-CG 3.83Å; Y72-E144 HydrophobicContact CG-CB 4.39Å; Y72-E144 HydrophobicContact CG-CG 3.73Å
73K93.9Very high93.4Very high114 Ų11461.4 Ų61.450%0.49633%0.328SS..  trans-125113.2178-179.4160.6-175.8176.90110.1L75 T78 A84K73-L75 PolarHBondContact O-N 2.99Å; K73-T78 HydrophobicContact CD-CG2 4.07Å; K73-T78 HydrophobicContact CG-CG2 4.11Å; K73-A84 HydrophobicContact CB-CB 3.94Å; K73-A84 HydrophobicContact CD-CB 4.02Å; K73-A84 HydrophobicContact CG-CB 3.58Å
74P94.3Very high92.8Very high2 Ų256.8 Ų56.81%0.01331%0.307CS..  trans-52.3135.9170.3-26.134.4000110.9Y72 E76 F77 P109Y72-P74 HydrophobicContact CD2-CG 4.45Å; Y72-P74 HydrophobicContact CE2-CG 4.01Å; P74-E76 PolarHBondContact O-N 2.94Å; P74-F77 HydrophobicContact CB-CB 4.36Å; P74-F77 HydrophobicContact CB-CD1 4.06Å; P74-F77 HydrophobicContact CB-CD2 4.48Å; P74-F77 HydrophobicContact CB-CE1 4.48Å; P74-F77 HydrophobicContact CB-CG 4.05Å; P74-F77 HydrophobicContact CG-CD1 4.44Å; P74-F77 HydrophobicContact CG-CD2 4.13Å; P74-F77 HydrophobicContact CG-CE2 4.27Å; P74-F77 HydrophobicContact CG-CG 4.2Å; P74-F77 HydrophobicContact CG-CZ 4.49Å; P74-F77 WeakPolarHBondContact O-CB 3.22Å; P74-F77 PolarHBondContact O-N 3.37Å; P74-P109 HydrophobicContact CB-CG 4.1Å; P74-P109 HydrophobicContact CG-CG 3.64Å
75L92.4Very high92.3Very high94 Ų9456.4 Ų56.449%0.49231%0.313SS..Hα-helixtrans-59.1-37.8-179.9179.962.2000110.6K73 F77 T78 P139K73-L75 PolarHBondContact O-N 2.99Å; L75-F77 PolarHBondContact O-N 3.29Å; L75-F77 VanDerWaalsContact O-N 3.14Å; L75-T78 HydrophobicContact CD1-CG2 4.5Å; L75-T78 WeakPolarHBondContact O-CB 3.5Å; L75-T78 PolarHBondContact O-N 3.33Å; L75-T78 PolarHBondContact O-OG1 3.02Å; L75-P139 HydrophobicContact CB-CB 4.47Å; L75-P139 HydrophobicContact CD2-CB 3.67Å; L75-P139 HydrophobicContact CD2-CG 3.53Å
76E91.1Very high91.8Very high121 Ų12162.2 Ų62.257%0.56534%0.34SS*.Hα-helixtrans-59.7-26.2178.3-6078.6-173.700112.5P74 A80P74-E76 PolarHBondContact O-N 2.94Å; E76-A80 WeakPolarHBondContact O-CB 3.19Å
77F92.1Very high91.7Very high27 Ų2761.4 Ų61.412%0.11834%0.337CS..Hα-helixtrans-82.5-19.6-179.8-74.319.7000112P74 L75 G81 R82 A84 P109P74-F77 HydrophobicContact CB-CB 4.36Å; P74-F77 HydrophobicContact CB-CD1 4.06Å; P74-F77 HydrophobicContact CB-CD2 4.48Å; P74-F77 HydrophobicContact CB-CE1 4.48Å; P74-F77 HydrophobicContact CB-CG 4.05Å; P74-F77 HydrophobicContact CG-CD1 4.44Å; P74-F77 HydrophobicContact CG-CD2 4.13Å; P74-F77 HydrophobicContact CG-CE2 4.27Å; P74-F77 HydrophobicContact CG-CG 4.2Å; P74-F77 HydrophobicContact CG-CZ 4.49Å; P74-F77 WeakPolarHBondContact O-CB 3.22Å; P74-F77 PolarHBondContact O-N 3.37Å; L75-F77 PolarHBondContact O-N 3.29Å; L75-F77 VanDerWaalsContact O-N 3.14Å; F77-G81 PolarHBondContact O-N 2.87Å; F77-R82 HydrophobicContact CB-CB 3.89Å; F77-R82 HydrophobicContact CD1-CB 4.33Å; F77-R82 HydrophobicContact CD2-CB 3.95Å; F77-R82 HydrophobicContact CG-CB 3.8Å; F77-R82 PolarHBondContact O-N 2.9Å; F77-A84 HydrophobicContact CD2-CB 3.92Å; F77-P109 HydrophobicContact CZ-CG 4.43Å
78T87.1Confident91.7Very high63 Ų6363.1 Ų63.139%0.38734%0.342SS..Hα-helixtrans-66-55.9-179.964.70000111.5K73 L75 A80 G81K73-T78 HydrophobicContact CD-CG2 4.07Å; K73-T78 HydrophobicContact CG-CG2 4.11Å; L75-T78 HydrophobicContact CD1-CG2 4.5Å; L75-T78 WeakPolarHBondContact O-CB 3.5Å; L75-T78 PolarHBondContact O-N 3.33Å; L75-T78 PolarHBondContact O-OG1 3.02Å; T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.61Å; T78-G81 PolarHBondContact O-N 2.9Å
79V86.8Confident91.7Very high138 Ų13861.9 Ų61.984%0.83634%0.338SS*.Hα-helixtrans-66.9-37.8-179.4179.90000111.1G81V79-G81 PolarHBondContact O-N 2.8Å
80A86.3Confident91.7Very high57 Ų5762.6 Ų62.647%0.47134%0.34SS..THydrogen-bonded Turntrans-75.9-2.5179.700000114E76 T78 R82E76-A80 WeakPolarHBondContact O-CB 3.19Å; T78-A80 VanDerWaalsContact C-N 3.34Å; T78-A80 PolarHBondContact O-N 2.61Å; A80-R82 HydrophobicContact CB-CG 3.9Å; A80-R82 PolarHBondContact O-N 2.84Å
81G85.2Confident91.7Very high68 Ų6862.2 Ų62.270%0.70134%0.337SS*.THydrogen-bonded Turntrans60.425.1-177.900000113.7F77 T78 V79F77-G81 PolarHBondContact O-N 2.87Å; T78-G81 PolarHBondContact O-N 2.9Å; V79-G81 PolarHBondContact O-N 2.8Å
82R87.1Confident91.9Very high152 Ų15259.4 Ų59.457%0.57432%0.324SS*.  trans-80.2144-178.3-67.8-179.9-176.5-174.61.7110.3F77 A80F77-R82 HydrophobicContact CB-CB 3.89Å; F77-R82 HydrophobicContact CD1-CB 4.33Å; F77-R82 HydrophobicContact CD2-CB 3.95Å; F77-R82 HydrophobicContact CG-CB 3.8Å; F77-R82 PolarHBondContact O-N 2.9Å; A80-R82 HydrophobicContact CB-CG 3.9Å; A80-R82 PolarHBondContact O-N 2.84Å
83D86.9Confident92Very high116 Ų11658.9 Ų58.962%0.6232%0.322SS*.  trans-67.8132.2169.9-174.217.6000109.9S85D83-S85 VanDerWaalsContact CG-OG 3.27Å; D83-S85 VanDerWaalsContact OD1-CB 3.22Å; D83-S85 WeakPolarHBondContact OD1-CB 3.34Å; D83-S85 PolarHBondContact OD1-N 3.03Å; D83-S85 PolarHBondContact OD1-OG 3.47Å; D83-S85 PolarHBondContact OD2-OG 2.9Å
84A86.4Confident92.3Very high8 Ų854.2 Ų54.27%0.06630%0.302CS..  trans-124.37.417800000112K73 F77 Q86 C87K73-A84 HydrophobicContact CB-CB 3.94Å; K73-A84 HydrophobicContact CD-CB 4.02Å; K73-A84 HydrophobicContact CG-CB 3.58Å; F77-A84 HydrophobicContact CD2-CB 3.92Å; A84-Q86 PolarHBondContact O-N 3.21Å; A84-C87 WeakPolarHBondContact O-CB 3.26Å; A84-C87 PolarHBondContact O-N 3.29Å
85S86.7Confident92.4Very high70 Ų7059.2 Ų59.249%0.4932%0.32SS..THydrogen-bonded Turntrans-54.7-26.1-179.564.40000113H71 D83H71-S85 PolarHBondContact ND1-O 3Å; D83-S85 VanDerWaalsContact CG-OG 3.27Å; D83-S85 VanDerWaalsContact OD1-CB 3.22Å; D83-S85 WeakPolarHBondContact OD1-CB 3.34Å; D83-S85 PolarHBondContact OD1-N 3.03Å; D83-S85 PolarHBondContact OD1-OG 3.47Å; D83-S85 PolarHBondContact OD2-OG 2.9Å
86Q88.8Confident92.7Very high127 Ų12759.8 Ų59.859%0.59332%0.321SS*.THydrogen-bonded Turntrans-90.1-11.5-179.5-58.8-177-6.300114L44 A84 Y88 L107L44-Q86 HydrophobicContact CD2-CB 3.73Å; A84-Q86 PolarHBondContact O-N 3.21Å; Q86-Y88 PolarHBondContact O-N 2.94Å; Q86-L107 WeakPolarHBondContact O-CD2 3.4Å
87C96.5Very high92.9Very high1 Ų159.7 Ų59.71%0.00733%0.33CS..  trans-70123.2175.2-73.70000109.3H71 Y72 A84 L107H71-C87 WeakPolarHBondContact CA-O 3.47Å; H71-C87 PolarHBondContact ND1-O 3.34Å; Y72-C87 HydrophobicContact CD1-CB 4.04Å; Y72-C87 HydrophobicContact CD2-CB 4.3Å; Y72-C87 HydrophobicContact CE1-CB 3.79Å; Y72-C87 HydrophobicContact CE2-CB 4.07Å; Y72-C87 HydrophobicContact CG-CB 4.29Å; Y72-C87 PolarHBondContact N-O 2.88Å; Y72-C87 VanDerWaalsContact N-O 3.16Å; Y72-C87 WeakPolarHBondContact O-CB 3.49Å; A84-C87 WeakPolarHBondContact O-CB 3.26Å; A84-C87 PolarHBondContact O-N 3.29Å; C87-L107 CarbonylContact C-O 3.46Å; C87-L107 VanDerWaalsContact CA-O 3.3Å; C87-L107 WeakPolarHBondContact CA-O 3.4Å
88Y98Very high93.1Very high45 Ų4562.2 Ų62.218%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-150.9143.5-169.3179.7-96.4000111.4H69 A70 H71 Q86 K90 L107H69-Y88 HydrophobicContact CB-CE2 3.94Å; H69-Y88 WeakPolarHBondContact CB-OH 3.34Å; H69-Y88 AromaticContact ND1-CE2 3.73Å; H69-Y88 AromaticContact ND1-CZ 3.66Å; H69-Y88 PolarHBondContact ND1-OH 3.3Å; A70-Y88 WeakPolarHBondContact O-CA 3.35Å; A70-Y88 WeakPolarHBondContact O-CD2 3.47Å; H71-Y88 AromaticContact CD2-CD2 3.96Å; H71-Y88 AromaticContact CE1-CD2 3.72Å; H71-Y88 AromaticContact ND1-CD2 3.9Å; H71-Y88 AromaticContact NE2-CD2 3.74Å; Q86-Y88 PolarHBondContact O-N 2.94Å; Y88-K90 HydrophobicContact CE1-CB 3.77Å; Y88-K90 HydrophobicContact CE1-CD 4.18Å; Y88-K90 HydrophobicContact CE1-CG 3.96Å; Y88-L107 PolarHBondContact N-O 3.46Å; Y88-L107 PolarHBondContact O-N 3.36Å
89V98.4Very high93.6Very high0 Ų061.9 Ų61.90%034%0.344CS..EExtended strand (participates in β ladder)trans-132.3139.3175.751.50000109.5H69 A70 Y72 L104 H105 F106 E144 V145 L148H69-V89 VanDerWaalsContact CA-O 3.23Å; H69-V89 WeakPolarHBondContact CA-O 3.48Å; H69-V89 WeakPolarHBondContact CB-O 3.38Å; A70-V89 HydrophobicContact CB-CG1 4.34Å; A70-V89 PolarHBondContact N-O 3.23Å; A70-V89 PolarHBondContact O-N 2.93Å; Y72-V89 HydrophobicContact CD1-CG1 4.13Å; Y72-V89 HydrophobicContact CE1-CB 4.49Å; Y72-V89 HydrophobicContact CE1-CG1 4.46Å; V89-L104 HydrophobicContact CG2-CD1 4.21Å; V89-H105 WeakPolarHBondContact CA-O 3.39Å; V89-F106 HydrophobicContact CB-CD2 3.99Å; V89-F106 HydrophobicContact CB-CE2 4.47Å; V89-F106 HydrophobicContact CG2-CD2 3.91Å; V89-E144 HydrophobicContact CG1-CB 4.18Å; V89-V145 HydrophobicContact CG2-CG2 4.05Å; V89-L148 HydrophobicContact CG1-CD2 3.76Å; V89-L148 HydrophobicContact CG2-CD1 4.04Å
90K98.6Very high94.2Very high32 Ų3258.3 Ų58.314%0.13932%0.32CS..EExtended strand (participates in β ladder)trans-137.1145.6167.967.7172.1-169179.50112.3E53 V67 Y68 H69 Y88 H105E53-K90 IonicContact OE2-NZ 2.72Å; E53-K90 PolarHBondContact OE2-NZ 3.34Å; V67-K90 HydrophobicContact CG1-CB 4.16Å; V67-K90 HydrophobicContact CG1-CD 4.31Å; Y68-K90 CarbonylContact O-C 3.55Å; Y68-K90 WeakPolarHBondContact O-CA 3.48Å; H69-K90 HydrophobicContact CB-CB 3.9Å; Y88-K90 HydrophobicContact CE1-CB 3.77Å; Y88-K90 HydrophobicContact CE1-CD 4.18Å; Y88-K90 HydrophobicContact CE1-CG 3.96Å; K90-H105 HydrophobicContact CD-CB 4.43Å; K90-H105 VanDerWaalsContact CE-CD2 3.43Å; K90-H105 WeakPolarHBondContact CE-CD2 3.33Å; K90-H105 HydrophobicContact CG-CB 3.66Å; K90-H105 PolarHBondContact N-O 3.32Å; K90-H105 PolarHBondContact O-N 3.42Å
91M98.8Very high94.8Very high2 Ų256.1 Ų56.11%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-123.1125.6176.1-173.1-173.1-68.700109V67 Y68 V101 G103 L104 Y128 V131 V145 L148V67-M91 WeakPolarHBondContact CA-O 3.39Å; Y68-M91 PolarHBondContact N-O 2.85Å; Y68-M91 PolarHBondContact O-N 2.92Å; M91-V101 HydrophobicContact CG-CG1 3.71Å; M91-V101 HydrophobicContact CG-CG2 4.25Å; M91-V101 HydrophobicContact SD-CG1 4.26Å; M91-V101 HydrophobicContact SD-CG2 3.76Å; M91-G103 WeakPolarHBondContact CA-O 3.24Å; M91-L104 HydrophobicContact CB-CD1 4.31Å; M91-L104 HydrophobicContact CE-CD1 4.42Å; M91-Y128 HydrophobicContact SD-CD2 4.09Å; M91-V131 HydrophobicContact CE-CB 4.22Å; M91-V131 HydrophobicContact CE-CG1 3.64Å; M91-V131 HydrophobicContact CE-CG2 4.27Å; M91-V145 HydrophobicContact CE-CG1 3.53Å; M91-L148 HydrophobicContact CB-CD1 3.65Å; M91-L148 HydrophobicContact CE-CD1 4.06Å
92V98.8Very high95.4Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-101123.8179.8-174.80000107.8E53 A56 V65 V67 L102 G103E53-V92 HydrophobicContact CB-CG2 4.29Å; A56-V92 HydrophobicContact CB-CG1 3.56Å; V65-V92 HydrophobicContact CG1-CG1 3.77Å; V67-V92 HydrophobicContact CG2-CG1 4.46Å; V67-V92 HydrophobicContact CG2-CG2 4.37Å; V92-L102 HydrophobicContact CG1-CB 4.37Å; V92-L102 PolarHBondContact O-N 3.19Å; V92-G103 PolarHBondContact N-O 2.92Å; V92-G103 PolarHBondContact O-N 3.38Å
93C98.8Very high96Very high0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-130.5154.5-174.9-59.10000111.4V65 E66 L100V65-C93 WeakPolarHBondContact CA-O 3.2Å; E66-C93 PolarHBondContact N-O 2.97Å; E66-C93 PolarHBondContact O-N 3.13Å; C93-L100 CarbonylContact C-O 3.49Å; C93-L100 VanDerWaalsContact CA-O 3.27Å; C93-L100 WeakPolarHBondContact CA-O 3.48Å
94L98.6Very high96.5Very high16 Ų1641.4 Ų41.48%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-68145.5158.6-70.7174.5000110.2H60 H64 E96 Q99 L100 L102H60-L94 HydrophobicContact CB-CD2 4.24Å; H64-L94 CarbonylContact O-C 3.5Å; L94-E96 HydrophobicContact CB-CG 4.33Å; L94-Q99 VanDerWaalsContact O-CA 3.28Å; L94-Q99 WeakPolarHBondContact O-CA 3.46Å; L94-Q99 WeakPolarHBondContact O-CB 3.49Å; L94-L100 HydrophobicContact CD1-CB 4.31Å; L94-L100 PolarHBondContact N-O 2.79Å; L94-L102 HydrophobicContact CD1-CD2 4.3Å; L94-L102 HydrophobicContact CD2-CD1 3.85Å; L94-L102 HydrophobicContact CG-CD1 3.92Å; L94-L102 HydrophobicContact CG-CD2 4.01Å; L94-L102 HydrophobicContact CG-CG 4.08Å
95R98.1Very high97.1Very high106 Ų10641.6 Ų41.640%0.422%0.216SC..SBendtrans-80.6-35.1173.8-75.4179.680-140.1-3112.7E63 H64 V65 E66E63-R95 VanDerWaalsContact O-CD 3.26Å; E63-R95 WeakPolarHBondContact O-CD 3.19Å; E63-R95 PolarHBondContact O-NH1 3.04Å; H64-R95 PolarHBondContact O-N 3.24Å; V65-R95 WeakPolarHBondContact O-CD 3.34Å; E66-R95 HydrophobicContact CB-CG 3.7Å; E66-R95 IonicContact OE2-NE 3.36Å; E66-R95 PolarHBondContact OE2-NE 3.03Å
96E96.9Very high97.7Very high106 Ų10638.2 Ų38.250%0.49519%0.193SC..SBendtrans-70.4145.717962.6-176.8-167.700111.1L94 Q99L94-E96 HydrophobicContact CB-CG 4.33Å; E96-Q99 VanDerWaalsContact O-CA 3.26Å; E96-Q99 WeakPolarHBondContact O-CA 3.46Å; E96-Q99 PolarHBondContact O-N 2.96Å
97P96.5Very high98.1Very high119 Ų11934.7 Ų34.777%0.77318%0.178SC*.THydrogen-bonded Turntrans-55137.4171.3-24.934.9000111.2
98P96.6Very high98.2Very high81 Ų8134.6 Ų34.653%0.52618%0.177SC..THydrogen-bonded Turncis-88.313.311.535.7-36.8000114.8L100 S127P98-L100 HydrophobicContact CG-CD2 3.72Å; P98-L100 HydrophobicContact CG-CG 3.87Å; P98-S127 WeakPolarHBondContact O-CB 3.25Å
99Q97.8Very high98.1Very high56 Ų5633.8 Ų33.826%0.26218%0.177SC..  trans62.453.4-175.7-52.6-177.2-73.800112.4L94 E96 S127 Y128L94-Q99 VanDerWaalsContact O-CA 3.28Å; L94-Q99 WeakPolarHBondContact O-CA 3.46Å; L94-Q99 WeakPolarHBondContact O-CB 3.49Å; E96-Q99 VanDerWaalsContact O-CA 3.26Å; E96-Q99 WeakPolarHBondContact O-CA 3.46Å; E96-Q99 PolarHBondContact O-N 2.96Å; Q99-S127 CarbonylContact O-C 3.59Å; Q99-S127 VanDerWaalsContact O-CA 3.3Å; Q99-S127 WeakPolarHBondContact O-CA 3.26Å; Q99-Y128 PolarHBondContact O-N 3.29Å
100L98.6Very high98.1Very high63 Ų6338.4 Ų38.433%0.3320%0.202SC..BIsolated β-bridgetrans-57.2138.6178.9-64.1179.1000111.1C93 L94 P98 L102 G125C93-L100 CarbonylContact C-O 3.49Å; C93-L100 VanDerWaalsContact CA-O 3.27Å; C93-L100 WeakPolarHBondContact CA-O 3.48Å; L94-L100 HydrophobicContact CD1-CB 4.31Å; L94-L100 PolarHBondContact N-O 2.79Å; P98-L100 HydrophobicContact CG-CD2 3.72Å; P98-L100 HydrophobicContact CG-CG 3.87Å; L100-L102 PolarHBondContact O-N 3.33Å; L100-G125 WeakPolarHBondContact CD2-O 3.42Å
101V98.6Very high98Very high11 Ų1136.9 Ų36.97%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-76.5115.5170.9-178.30000108.1M91 I122 A126 V131M91-V101 HydrophobicContact CG-CG1 3.71Å; M91-V101 HydrophobicContact CG-CG2 4.25Å; M91-V101 HydrophobicContact SD-CG1 4.26Å; M91-V101 HydrophobicContact SD-CG2 3.76Å; V101-I122 HydrophobicContact CB-CG1 4.13Å; V101-I122 HydrophobicContact CG1-CD1 3.86Å; V101-I122 HydrophobicContact CG1-CG1 3.82Å; V101-A126 WeakPolarHBondContact CG2-O 3.18Å; V101-A126 PolarHBondContact N-O 3.12Å; V101-V131 HydrophobicContact CG2-CG2 4.26Å
102L98.5Very high98Very high24 Ų2437.5 Ų37.513%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-89.1-27.1179-61.2179.9000112.4G50 L51 A56 V92 L94 L100G50-L102 CarbonylContact C-O 3.54Å; G50-L102 WeakPolarHBondContact CA-O 3.42Å; L51-L102 HydrophobicContact CD1-CB 4.34Å; L51-L102 PolarHBondContact N-O 3.39Å; A56-L102 HydrophobicContact CB-CD1 4.07Å; V92-L102 HydrophobicContact CG1-CB 4.37Å; V92-L102 PolarHBondContact O-N 3.19Å; L94-L102 HydrophobicContact CD1-CD2 4.3Å; L94-L102 HydrophobicContact CD2-CD1 3.85Å; L94-L102 HydrophobicContact CG-CD1 3.92Å; L94-L102 HydrophobicContact CG-CD2 4.01Å; L94-L102 HydrophobicContact CG-CG 4.08Å; L100-L102 PolarHBondContact O-N 3.33Å
103G98.5Very high97.9Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-163.8151.5-179.700000113.3V49 M91 V92V49-G103 CarbonylContact O-C 3.56Å; V49-G103 WeakPolarHBondContact O-CA 3.33Å; M91-G103 WeakPolarHBondContact CA-O 3.24Å; V92-G103 PolarHBondContact N-O 2.92Å; V92-G103 PolarHBondContact O-N 3.38Å
104L98.7Very high97.9Very high2 Ų245.4 Ų45.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-129.7135.9172.4179.771000108.8C48 V49 V89 M91 F118 I122 V145C48-L104 CarbonylContact C-O 3.19Å; C48-L104 WeakPolarHBondContact CA-O 3.47Å; V49-L104 HydrophobicContact CG1-CB 3.96Å; V49-L104 PolarHBondContact N-O 3.12Å; V49-L104 PolarHBondContact O-N 2.79Å; V89-L104 HydrophobicContact CG2-CD1 4.21Å; M91-L104 HydrophobicContact CB-CD1 4.31Å; M91-L104 HydrophobicContact CE-CD1 4.42Å; L104-F118 HydrophobicContact CD2-CB 3.37Å; L104-F118 HydrophobicContact CD2-CD1 4.34Å; L104-F118 HydrophobicContact CD2-CD2 3.64Å; L104-F118 HydrophobicContact CD2-CG 3.52Å; L104-I122 HydrophobicContact CB-CD1 4.01Å; L104-V145 HydrophobicContact CD1-CG1 3.9Å; L104-V145 HydrophobicContact CD1-CG2 4.28Å; L104-V145 HydrophobicContact CD2-CG1 4.32Å; L104-V145 HydrophobicContact CD2-CG2 4.44Å
105H98.8Very high97.9Very high12 Ų1244.7 Ų44.76%0.05624%0.237CC..EExtended strand (participates in β ladder)trans-133.4128.1178.8-58.4-96.5000109Y46 L51 V89 K90Y46-H105 HydrophobicContact CE2-CB 4.07Å; Y46-H105 AromaticContact CZ-ND1 3.85Å; Y46-H105 PolarHBondContact OH-ND1 2.97Å; L51-H105 PolarHBondContact O-NE2 2.74Å; L51-H105 VanDerWaalsContact O-NE2 3.14Å; V89-H105 WeakPolarHBondContact CA-O 3.39Å; K90-H105 HydrophobicContact CD-CB 4.43Å; K90-H105 VanDerWaalsContact CE-CD2 3.43Å; K90-H105 WeakPolarHBondContact CE-CD2 3.33Å; K90-H105 HydrophobicContact CG-CB 3.66Å; K90-H105 PolarHBondContact N-O 3.32Å; K90-H105 PolarHBondContact O-N 3.42Å
106F98.6Very high97.9Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-135.9120-172.3-169.9-88.7000109.5Y46 G47 Y72 V89 A111 V114 C141 V145Y46-F106 CarbonylContact C-O 3.58Å; Y46-F106 WeakPolarHBondContact CA-O 3.36Å; G47-F106 PolarHBondContact N-O 2.85Å; G47-F106 PolarHBondContact O-N 2.7Å; Y72-F106 HydrophobicContact CE1-CE2 4.22Å; Y72-F106 HydrophobicContact CE1-CZ 4.3Å; Y72-F106 HydrophobicContact CE2-CZ 4.26Å; Y72-F106 AromaticContact CZ-CE2 3.97Å; Y72-F106 AromaticContact CZ-CZ 3.62Å; Y72-F106 WeakPolarHBondContact OH-CE1 3.18Å; Y72-F106 WeakPolarHBondContact OH-CZ 3.24Å; V89-F106 HydrophobicContact CB-CD2 3.99Å; V89-F106 HydrophobicContact CB-CE2 4.47Å; V89-F106 HydrophobicContact CG2-CD2 3.91Å; F106-A111 HydrophobicContact CD1-CB 3.77Å; F106-A111 HydrophobicContact CE1-CB 4.42Å; F106-V114 HydrophobicContact CD1-CB 4.31Å; F106-V114 HydrophobicContact CD1-CG1 4.42Å; F106-V114 HydrophobicContact CD1-CG2 4.49Å; F106-V114 HydrophobicContact CD2-CG1 3.92Å; F106-V114 HydrophobicContact CE1-CB 4.19Å; F106-V114 HydrophobicContact CE1-CG1 4.39Å; F106-V114 HydrophobicContact CE1-CG2 3.88Å; F106-V114 HydrophobicContact CE2-CG1 3.91Å; F106-V114 HydrophobicContact CE2-CG2 4.46Å; F106-V114 HydrophobicContact CG-CB 4.5Å; F106-V114 HydrophobicContact CG-CG1 4.16Å; F106-V114 HydrophobicContact CZ-CB 4.3Å; F106-V114 HydrophobicContact CZ-CG1 4.12Å; F106-V114 HydrophobicContact CZ-CG2 3.85Å; F106-C141 HydrophobicContact CZ-CB 3.91Å; F106-V145 HydrophobicContact CD2-CG2 4.25Å; F106-V145 HydrophobicContact CE2-CG2 4.42Å
107L98.4Very high97.9Very high52 Ų5242.8 Ų42.827%0.27225%0.246SC..EExtended strand (participates in β ladder)trans-115.8110.7178.7178.665.4000108.2L44 E45 Y72 Q86 C87 Y88L44-L107 HydrophobicContact CB-CD1 4.41Å; L44-L107 HydrophobicContact CD2-CD1 3.97Å; L44-L107 HydrophobicContact CD2-CD2 4.27Å; L44-L107 HydrophobicContact CD2-CG 3.78Å; L44-L107 HydrophobicContact CG-CD1 3.99Å; L44-L107 HydrophobicContact CG-CG 4.19Å; E45-L107 WeakPolarHBondContact O-CA 3.45Å; Y72-L107 PolarHBondContact OH-O 3.27Å; Q86-L107 WeakPolarHBondContact O-CD2 3.4Å; C87-L107 CarbonylContact C-O 3.46Å; C87-L107 VanDerWaalsContact CA-O 3.3Å; C87-L107 WeakPolarHBondContact CA-O 3.4Å; Y88-L107 PolarHBondContact N-O 3.46Å; Y88-L107 PolarHBondContact O-N 3.36Å
108G97.3Very high97.9Very high0 Ų039.2 Ų39.20%022%0.219CC..SBendtrans162.9-173.3-177.400000113.7E45 Y72E45-G108 WeakPolarHBondContact CB-O 3.22Å; E45-G108 PolarHBondContact O-N 3.2Å; Y72-G108 WeakPolarHBondContact OH-CA 3.45Å
109P96.3Very high98Very high27 Ų2735.7 Ų35.718%0.17520%0.196CC..THydrogen-bonded Turntrans-66.3143.8-179.228.4-34.8000111.7P74 F77 A111P74-P109 HydrophobicContact CB-CG 4.1Å; P74-P109 HydrophobicContact CG-CG 3.64Å; F77-P109 HydrophobicContact CZ-CG 4.43Å; P109-A111 VanDerWaalsContact C-N 3.27Å; P109-A111 PolarHBondContact O-N 2.88Å
110N97.6Very high97.9Very high98 Ų9838.6 Ų38.652%0.52421%0.213SC..THydrogen-bonded Turntrans56.238177.9-48.5-54.9000113.1E45 G112 E113 V114E45-N110 VanDerWaalsContact OE2-CA 3.31Å; E45-N110 WeakPolarHBondContact OE2-CA 3.21Å; E45-N110 PolarHBondContact OE2-N 2.85Å; N110-G112 PolarHBondContact O-N 2.68Å; N110-E113 HydrophobicContact CB-CB 4.3Å; N110-E113 HydrophobicContact CB-CG 4.21Å; N110-E113 PolarHBondContact O-N 2.89Å; N110-E113 VanDerWaalsContact O-N 3.14Å; N110-V114 PolarHBondContact O-N 2.94Å
111A98.2Very high97.8Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-62.7-31.7-174.400000112.2T39 E45 F106 P109 T115T39-A111 HydrophobicContact CG2-CB 4.46Å; E45-A111 HydrophobicContact CB-CB 3.61Å; E45-A111 PolarHBondContact OE2-N 2.88Å; F106-A111 HydrophobicContact CD1-CB 3.77Å; F106-A111 HydrophobicContact CE1-CB 4.42Å; P109-A111 VanDerWaalsContact C-N 3.27Å; P109-A111 PolarHBondContact O-N 2.88Å; A111-T115 VanDerWaalsContact O-CB 3.23Å; A111-T115 WeakPolarHBondContact O-CB 3.49Å; A111-T115 PolarHBondContact O-N 2.79Å; A111-T115 PolarHBondContact O-OG1 3.32Å
112G97.6Very high97.8Very high15 Ų1537.2 Ų37.216%0.15521%0.212CC..Hα-helixtrans-62.6-45.1174.300000112.8T39 N110 T115 Q116T39-G112 VanDerWaalsContact OG1-CA 3.24Å; T39-G112 WeakPolarHBondContact OG1-CA 3.48Å; N110-G112 PolarHBondContact O-N 2.68Å; G112-T115 PolarHBondContact O-N 2.81Å; G112-Q116 WeakPolarHBondContact O-CB 3.23Å; G112-Q116 PolarHBondContact O-N 2.82Å
113E98Very high97.6Very high151 Ų15141.6 Ų41.671%0.70623%0.23SC*.Hα-helixtrans-63.9-44.1179.4-57.4-57.7156.600111.6N110N110-E113 HydrophobicContact CB-CB 4.3Å; N110-E113 HydrophobicContact CB-CG 4.21Å; N110-E113 PolarHBondContact O-N 2.89Å; N110-E113 VanDerWaalsContact O-N 3.14Å
114V97.9Very high97.5Very high14 Ų1446.5 Ų46.59%0.08526%0.264CS..Hα-helixtrans-62-51.2175.6178.30000110.5F106 N110 Q116 G117 F118 V145F106-V114 HydrophobicContact CD1-CB 4.31Å; F106-V114 HydrophobicContact CD1-CG1 4.42Å; F106-V114 HydrophobicContact CD1-CG2 4.49Å; F106-V114 HydrophobicContact CD2-CG1 3.92Å; F106-V114 HydrophobicContact CE1-CB 4.19Å; F106-V114 HydrophobicContact CE1-CG1 4.39Å; F106-V114 HydrophobicContact CE1-CG2 3.88Å; F106-V114 HydrophobicContact CE2-CG1 3.91Å; F106-V114 HydrophobicContact CE2-CG2 4.46Å; F106-V114 HydrophobicContact CG-CB 4.5Å; F106-V114 HydrophobicContact CG-CG1 4.16Å; F106-V114 HydrophobicContact CZ-CB 4.3Å; F106-V114 HydrophobicContact CZ-CG1 4.12Å; F106-V114 HydrophobicContact CZ-CG2 3.85Å; N110-V114 PolarHBondContact O-N 2.94Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.01Å; V114-G117 PolarHBondContact O-N 2.93Å; V114-F118 HydrophobicContact CG1-CD2 4.04Å; V114-F118 HydrophobicContact CG1-CE2 3.98Å; V114-F118 VanDerWaalsContact O-CD2 3.32Å; V114-F118 WeakPolarHBondContact O-CD2 3.39Å; V114-V145 HydrophobicContact CG1-CG2 4.34Å
115T98.4Very high97.4Very high1 Ų148.1 Ų48.11%0.00628%0.28CS..Hα-helixtrans-64.3-37.5-173.4-57.90000112.1P37 G47 C48 V49 A111 G112 G117 F118 A119P37-T115 HydrophobicContact CB-CG2 4Å; G47-T115 WeakPolarHBondContact CA-OG1 3.39Å; C48-T115 WeakPolarHBondContact O-CG2 3.15Å; V49-T115 HydrophobicContact CB-CG2 4.09Å; V49-T115 HydrophobicContact CG1-CG2 4.04Å; A111-T115 VanDerWaalsContact O-CB 3.23Å; A111-T115 WeakPolarHBondContact O-CB 3.49Å; A111-T115 PolarHBondContact O-N 2.79Å; A111-T115 PolarHBondContact O-OG1 3.32Å; G112-T115 PolarHBondContact O-N 2.81Å; T115-G117 VanDerWaalsContact C-N 3.31Å; T115-G117 PolarHBondContact O-N 2.88Å; T115-F118 PolarHBondContact O-N 2.84Å; T115-A119 WeakPolarHBondContact O-CB 3.45Å; T115-A119 PolarHBondContact O-N 3.31Å
116Q98.1Very high97.3Very high120 Ų12048.3 Ų48.356%0.56128%0.284SS*.Hα-helixtrans-58.1-40.7-177.6-1785974.900112.9G112 V114G112-Q116 WeakPolarHBondContact O-CB 3.23Å; G112-Q116 PolarHBondContact O-N 2.82Å; V114-Q116 VanDerWaalsContact C-N 3.33Å; V114-Q116 PolarHBondContact O-N 3.01Å
117G96.4Very high97.3Very high52 Ų5248.8 Ų48.854%0.53629%0.288SS..Hα-helixtrans-69.1-46.7178.400000112.6V114 T115 A119 L120 G121V114-G117 PolarHBondContact O-N 2.93Å; T115-G117 VanDerWaalsContact C-N 3.31Å; T115-G117 PolarHBondContact O-N 2.88Å; G117-A119 VanDerWaalsContact C-N 3.3Å; G117-A119 PolarHBondContact O-N 2.99Å; G117-L120 PolarHBondContact O-N 3.4Å; G117-G121 PolarHBondContact O-N 3.11Å
118F97.8Very high97.3Very high45 Ų4547.4 Ų47.420%0.19728%0.279CS..Hα-helixtrans-69.3-26.8179.7-73.1-73000113.4L104 V114 T115 L120 G121 I122 V145L104-F118 HydrophobicContact CD2-CB 3.37Å; L104-F118 HydrophobicContact CD2-CD1 4.34Å; L104-F118 HydrophobicContact CD2-CD2 3.64Å; L104-F118 HydrophobicContact CD2-CG 3.52Å; V114-F118 HydrophobicContact CG1-CD2 4.04Å; V114-F118 HydrophobicContact CG1-CE2 3.98Å; V114-F118 VanDerWaalsContact O-CD2 3.32Å; V114-F118 WeakPolarHBondContact O-CD2 3.39Å; T115-F118 PolarHBondContact O-N 2.84Å; F118-L120 VanDerWaalsContact C-N 3.28Å; F118-L120 PolarHBondContact O-N 3.32Å; F118-G121 PolarHBondContact O-N 3.48Å; F118-G121 VanDerWaalsContact O-N 3.11Å; F118-I122 WeakPolarHBondContact O-CG1 3.41Å; F118-I122 PolarHBondContact O-N 3.3Å; F118-V145 HydrophobicContact CD1-CG1 3.96Å; F118-V145 HydrophobicContact CD2-CG1 4.28Å; F118-V145 HydrophobicContact CD2-CG2 4.23Å; F118-V145 HydrophobicContact CE1-CB 4.06Å; F118-V145 HydrophobicContact CE1-CG1 3.47Å; F118-V145 VanDerWaalsContact CE1-CG1 3.47Å; F118-V145 HydrophobicContact CE2-CB 3.73Å; F118-V145 HydrophobicContact CE2-CG1 3.83Å; F118-V145 HydrophobicContact CE2-CG2 3.63Å; F118-V145 HydrophobicContact CG-CG1 4.36Å; F118-V145 HydrophobicContact CZ-CB 3.46Å; F118-V145 VanDerWaalsContact CZ-CB 3.46Å; F118-V145 HydrophobicContact CZ-CG1 3.41Å; F118-V145 VanDerWaalsContact CZ-CG1 3.41Å; F118-V145 HydrophobicContact CZ-CG2 3.94Å
119A97.4Very high97.3Very high7 Ų749.2 Ų49.26%0.05829%0.294CS..Hα-helixtrans-58.1-41.2173.500000112.3P37 V49 T115 G117 K123P37-A119 HydrophobicContact CB-CB 3.77Å; P37-A119 HydrophobicContact CG-CB 3.73Å; V49-A119 HydrophobicContact CB-CB 4.23Å; V49-A119 HydrophobicContact CG1-CB 4.36Å; V49-A119 HydrophobicContact CG2-CB 3.81Å; T115-A119 WeakPolarHBondContact O-CB 3.45Å; T115-A119 PolarHBondContact O-N 3.31Å; G117-A119 VanDerWaalsContact C-N 3.3Å; G117-A119 PolarHBondContact O-N 2.99Å; A119-K123 WeakPolarHBondContact O-CB 3.23Å; A119-K123 PolarHBondContact O-N 3.22Å
120L96.8Very high97.4Very high116 Ų11653.1 Ų53.161%0.60731%0.31SS*.Hα-helixtrans-62.9-46173.3177.862.8000111G117 F118 I122 K123 C124G117-L120 PolarHBondContact O-N 3.4Å; F118-L120 VanDerWaalsContact C-N 3.28Å; F118-L120 PolarHBondContact O-N 3.32Å; L120-I122 PolarHBondContact O-N 3.42Å; L120-K123 WeakPolarHBondContact O-CB 3.48Å; L120-K123 PolarHBondContact O-N 3.29Å; L120-C124 PolarHBondContact O-N 2.85Å; L120-C124 PolarHBondContact O-SG 3.44Å; L120-C124 VanDerWaalsContact O-SG 3.36Å
121G96.7Very high97.5Very high29 Ų2948.9 Ų48.930%0.29929%0.287SS..Hα-helixtrans-58-47.3178.400000112.7G117 F118 K123 C124 G125 A126G117-G121 PolarHBondContact O-N 3.11Å; F118-G121 PolarHBondContact O-N 3.48Å; F118-G121 VanDerWaalsContact O-N 3.11Å; G121-K123 VanDerWaalsContact C-N 3.34Å; G121-K123 PolarHBondContact O-N 3.09Å; G121-C124 CarbonylContact O-C 3.6Å; G121-C124 PolarHBondContact O-N 3.39Å; G121-C124 VanDerWaalsContact O-N 3.12Å; G121-G125 PolarHBondContact O-N 2.65Å; G121-A126 WeakPolarHBondContact O-CB 3.4Å; G121-A126 PolarHBondContact O-N 3.06Å
122I96.9Very high97.4Very high16 Ų1650 Ų508%0.08229%0.293CS..Hα-helixtrans-62.2-42.6176.9-70.4164.5000110.6V49 V101 L104 F118 L120 C124 G125V49-I122 HydrophobicContact CG1-CD1 3.55Å; V101-I122 HydrophobicContact CB-CG1 4.13Å; V101-I122 HydrophobicContact CG1-CD1 3.86Å; V101-I122 HydrophobicContact CG1-CG1 3.82Å; L104-I122 HydrophobicContact CB-CD1 4.01Å; F118-I122 WeakPolarHBondContact O-CG1 3.41Å; F118-I122 PolarHBondContact O-N 3.3Å; L120-I122 PolarHBondContact O-N 3.42Å; I122-C124 PolarHBondContact O-N 3.12Å; I122-G125 PolarHBondContact O-N 3.24Å
123K94.4Very high97.4Very high117 Ų11759.2 Ų59.251%0.50932%0.323SS..Hα-helixtrans-61.8-30.8175.3-169.9163.2-170.3143.60112.9D32 A119 L120 G121 G125D32-K123 WeakPolarHBondContact OD2-CE 3.47Å; D32-K123 IonicContact OD2-NZ 2.7Å; D32-K123 PolarHBondContact OD2-NZ 3.2Å; A119-K123 WeakPolarHBondContact O-CB 3.23Å; A119-K123 PolarHBondContact O-N 3.22Å; L120-K123 WeakPolarHBondContact O-CB 3.48Å; L120-K123 PolarHBondContact O-N 3.29Å; G121-K123 VanDerWaalsContact C-N 3.34Å; G121-K123 PolarHBondContact O-N 3.09Å; K123-G125 VanDerWaalsContact C-N 3.27Å; K123-G125 PolarHBondContact O-N 3.41Å
124C96.4Very high97.4Very high103 Ų10356 Ų5670%0.69631%0.314SS*.THydrogen-bonded Turntrans-83.26.8173.4-66.80000114.1L120 G121 I122L120-C124 PolarHBondContact O-N 2.85Å; L120-C124 PolarHBondContact O-SG 3.44Å; L120-C124 VanDerWaalsContact O-SG 3.36Å; G121-C124 CarbonylContact O-C 3.6Å; G121-C124 PolarHBondContact O-N 3.39Å; G121-C124 VanDerWaalsContact O-N 3.12Å; I122-C124 PolarHBondContact O-N 3.12Å
125G96.6Very high97.4Very high35 Ų3561.7 Ų61.736%0.36135%0.348SS..THydrogen-bonded Turntrans78.734.9178.400000114L100 G121 I122 K123 S127L100-G125 WeakPolarHBondContact CD2-O 3.42Å; G121-G125 PolarHBondContact O-N 2.65Å; I122-G125 PolarHBondContact O-N 3.24Å; K123-G125 VanDerWaalsContact C-N 3.27Å; K123-G125 PolarHBondContact O-N 3.41Å; G125-S127 PolarHBondContact O-N 3.02Å
126A98.1Very high97.3Very high17 Ų1763.1 Ų63.114%0.1436%0.363CS..  trans-54.4131.4175.500000111.9V101 G121 V131V101-A126 WeakPolarHBondContact CG2-O 3.18Å; V101-A126 PolarHBondContact N-O 3.12Å; G121-A126 WeakPolarHBondContact O-CB 3.4Å; G121-A126 PolarHBondContact O-N 3.06Å; A126-V131 HydrophobicContact CB-CG2 4.48Å
127S98.6Very high97.3Very high10 Ų1063.6 Ų63.67%0.0737%0.368CS..BIsolated β-bridgetrans-97.1155.1169.955.50000111.8P98 Q99 G125 A129 Q130 V131P98-S127 WeakPolarHBondContact O-CB 3.25Å; Q99-S127 CarbonylContact O-C 3.59Å; Q99-S127 VanDerWaalsContact O-CA 3.3Å; Q99-S127 WeakPolarHBondContact O-CA 3.26Å; G125-S127 PolarHBondContact O-N 3.02Å; S127-A129 PolarHBondContact O-N 2.94Å; S127-Q130 WeakPolarHBondContact O-CB 3.34Å; S127-Q130 PolarHBondContact O-N 2.93Å; S127-Q130 WeakPolarHBondContact OG-CB 3.4Å; S127-Q130 VanDerWaalsContact OG-CD 3.27Å; S127-Q130 VanDerWaalsContact OG-CG 3.24Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.01Å; S127-Q130 PolarHBondContact OG-OE1 3.02Å; S127-V131 WeakPolarHBondContact O-CG2 3.17Å; S127-V131 PolarHBondContact O-N 3.34Å
128Y98.5Very high97.2Very high23 Ų2368.1 Ų68.19%0.0938%0.375CS..Hα-helixtrans-50.1-44.5170.5175.7-106.8000111.8Y68 M91 Q99 Q130 V131 M132 L148Y68-Y128 AromaticContact CD1-CE2 3.83Å; Y68-Y128 HydrophobicContact CD1-CE2 3.83Å; Y68-Y128 AromaticContact CD1-CZ 3.89Å; Y68-Y128 AromaticContact CD2-CD2 3.66Å; Y68-Y128 HydrophobicContact CD2-CD2 3.66Å; Y68-Y128 AromaticContact CD2-CE2 3.56Å; Y68-Y128 HydrophobicContact CD2-CE2 3.56Å; Y68-Y128 HydrophobicContact CD2-CG 4.39Å; Y68-Y128 HydrophobicContact CE1-CE1 4.09Å; Y68-Y128 AromaticContact CE1-CE2 3.88Å; Y68-Y128 HydrophobicContact CE1-CE2 3.88Å; Y68-Y128 AromaticContact CE1-CZ 3.55Å; Y68-Y128 WeakPolarHBondContact CE1-OH 3.48Å; Y68-Y128 HydrophobicContact CE2-CD1 4.16Å; Y68-Y128 AromaticContact CE2-CD2 3.59Å; Y68-Y128 HydrophobicContact CE2-CD2 3.59Å; Y68-Y128 HydrophobicContact CE2-CE1 4.18Å; Y68-Y128 AromaticContact CE2-CE2 3.61Å; Y68-Y128 HydrophobicContact CE2-CE2 3.61Å; Y68-Y128 AromaticContact CE2-CG 3.87Å; Y68-Y128 HydrophobicContact CE2-CG 3.87Å; Y68-Y128 AromaticContact CE2-CZ 3.92Å; Y68-Y128 HydrophobicContact CG-CD2 4.23Å; Y68-Y128 AromaticContact CG-CE2 3.66Å; Y68-Y128 HydrophobicContact CG-CE2 3.66Å; Y68-Y128 AromaticContact CZ-CE1 3.73Å; Y68-Y128 AromaticContact CZ-CE2 3.76Å; Y68-Y128 AromaticContact CZ-CZ 3.56Å; M91-Y128 HydrophobicContact SD-CD2 4.09Å; Q99-Y128 PolarHBondContact O-N 3.29Å; Y128-Q130 VanDerWaalsContact C-N 3.33Å; Y128-Q130 PolarHBondContact O-N 2.91Å; Y128-V131 PolarHBondContact O-N 3.45Å; Y128-M132 HydrophobicContact CD1-CG 4.19Å; Y128-M132 HydrophobicContact CD2-CE 4.42Å; Y128-M132 HydrophobicContact CD2-CG 4.06Å; Y128-M132 HydrophobicContact CE1-CG 3.68Å; Y128-M132 HydrophobicContact CE2-CE 3.88Å; Y128-M132 HydrophobicContact CE2-CG 3.54Å; Y128-M132 HydrophobicContact CE2-SD 3.79Å; Y128-M132 HydrophobicContact CG-CG 4.36Å; Y128-M132 WeakPolarHBondContact O-CG 3.44Å; Y128-M132 PolarHBondContact O-N 2.92Å; Y128-L148 WeakPolarHBondContact CE2-O 3.35Å; Y128-L148 PolarHBondContact OH-O 3.18Å
129A97.7Very high97.1Very high38 Ų3869 Ų6931%0.31439%0.386SS..Hα-helixtrans-62.3-37.1179.300000113.1S127 R133S127-A129 PolarHBondContact O-N 2.94Å; A129-R133 WeakPolarHBondContact O-CD 3.3Å; A129-R133 VanDerWaalsContact O-CG 3.25Å; A129-R133 WeakPolarHBondContact O-CG 3.16Å; A129-R133 PolarHBondContact O-N 3.16Å
130Q98.2Very high97Very high108 Ų10871.2 Ų71.251%0.50540%0.398SS..Hα-helixtrans-67.6-45173.7-76.2163.1-4500111.2S127 Y128 M132 R133 T134S127-Q130 WeakPolarHBondContact O-CB 3.34Å; S127-Q130 PolarHBondContact O-N 2.93Å; S127-Q130 WeakPolarHBondContact OG-CB 3.4Å; S127-Q130 VanDerWaalsContact OG-CD 3.27Å; S127-Q130 VanDerWaalsContact OG-CG 3.24Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.01Å; S127-Q130 PolarHBondContact OG-OE1 3.02Å; Y128-Q130 VanDerWaalsContact C-N 3.33Å; Y128-Q130 PolarHBondContact O-N 2.91Å; Q130-M132 VanDerWaalsContact C-N 3.34Å; Q130-M132 PolarHBondContact O-N 3.14Å; Q130-R133 PolarHBondContact O-N 2.97Å; Q130-R133 VanDerWaalsContact O-N 3.09Å; Q130-T134 PolarHBondContact O-N 3.36Å; Q130-T134 PolarHBondContact O-OG1 3.26Å
131V98.1Very high97Very high10 Ų1066.4 Ų66.46%0.06137%0.374CS..Hα-helixtrans-61.4-42.7179.3-176.80000111.2M91 V101 A126 S127 Y128 R133 T134 V145 V146M91-V131 HydrophobicContact CE-CB 4.22Å; M91-V131 HydrophobicContact CE-CG1 3.64Å; M91-V131 HydrophobicContact CE-CG2 4.27Å; V101-V131 HydrophobicContact CG2-CG2 4.26Å; A126-V131 HydrophobicContact CB-CG2 4.48Å; S127-V131 WeakPolarHBondContact O-CG2 3.17Å; S127-V131 PolarHBondContact O-N 3.34Å; Y128-V131 PolarHBondContact O-N 3.45Å; V131-R133 PolarHBondContact O-N 3.24Å; V131-T134 WeakPolarHBondContact O-CB 3.35Å; V131-T134 PolarHBondContact O-N 3.34Å; V131-T134 VanDerWaalsContact O-N 3.12Å; V131-V145 HydrophobicContact CG1-CG1 4.27Å; V131-V146 HydrophobicContact CG1-CG1 3.99Å
132M97.5Very high97Very high23 Ų2366.9 Ų66.911%0.11337%0.373CS..THydrogen-bonded Turntrans-69.9-12.9177.5-67.4-59.1101.200114.5Y128 Q130 V145 L148Y128-M132 HydrophobicContact CD1-CG 4.19Å; Y128-M132 HydrophobicContact CD2-CE 4.42Å; Y128-M132 HydrophobicContact CD2-CG 4.06Å; Y128-M132 HydrophobicContact CE1-CG 3.68Å; Y128-M132 HydrophobicContact CE2-CE 3.88Å; Y128-M132 HydrophobicContact CE2-CG 3.54Å; Y128-M132 HydrophobicContact CE2-SD 3.79Å; Y128-M132 HydrophobicContact CG-CG 4.36Å; Y128-M132 WeakPolarHBondContact O-CG 3.44Å; Y128-M132 PolarHBondContact O-N 2.92Å; Q130-M132 VanDerWaalsContact C-N 3.34Å; Q130-M132 PolarHBondContact O-N 3.14Å; M132-V145 WeakPolarHBondContact CE-O 3.49Å; M132-L148 HydrophobicContact CE-CB 4.22Å
133R97.1Very high97Very high209 Ų20967 Ų6779%0.78937%0.373SS*.THydrogen-bonded Turntrans-93.6-9173.6-73.4172.7-179-176.91.6112.4A129 Q130 V131A129-R133 WeakPolarHBondContact O-CD 3.3Å; A129-R133 VanDerWaalsContact O-CG 3.25Å; A129-R133 WeakPolarHBondContact O-CG 3.16Å; A129-R133 PolarHBondContact O-N 3.16Å; Q130-R133 PolarHBondContact O-N 2.97Å; Q130-R133 VanDerWaalsContact O-N 3.09Å; V131-R133 PolarHBondContact O-N 3.24Å
134T97.6Very high97.1Very high84 Ų8462.8 Ų62.852%0.51536%0.355SS..SBendtrans-75131.5176.9-57.10000110.2Q130 V131 V146Q130-T134 PolarHBondContact O-N 3.36Å; Q130-T134 PolarHBondContact O-OG1 3.26Å; V131-T134 WeakPolarHBondContact O-CB 3.35Å; V131-T134 PolarHBondContact O-N 3.34Å; V131-T134 VanDerWaalsContact O-N 3.12Å; T134-V146 HydrophobicContact CG2-CG1 4.05Å
135V97.8Very high97.2Very high132 Ų13257.9 Ų57.980%0.832%0.322SS*.PPolyproline II helixtrans-76.1126.3174.1179.80000109
136G96.4Very high97.2Very high31 Ų3157 Ų5732%0.3231%0.309SS..PPolyproline II helixtrans-72.2148.6176.600000112.4
137I97.9Very high97.1Very high130 Ų13060.4 Ų60.467%0.66732%0.321SS*.PPolyproline II helixtrans-87.6125.2169.5-57.5174.3000107.5T140 E143I137-T140 HydrophobicContact CB-CG2 4Å; I137-T140 HydrophobicContact CG2-CG2 3.75Å; I137-T140 WeakPolarHBondContact O-CB 2.94Å; I137-T140 WeakPolarHBondContact O-CG2 3.07Å; I137-T140 PolarHBondContact O-N 2.94Å; I137-T140 PolarHBondContact O-OG1 3.04Å; I137-E143 WeakPolarHBondContact O-CB 3.35Å; I137-E143 WeakPolarHBondContact O-CG 3.03Å
138H95.6Very high96.9Very high148 Ų14860 Ų6069%0.68532%0.318SS*.SBendtrans-119.7136.9-174.6-17473.8000112.4E143H138-E143 WeakPolarHBondContact CA-OE1 3.31Å; H138-E143 IonicContact CE1-OE1 3.76Å; H138-E143 IonicContact CG-OE1 3.58Å; H138-E143 IonicContact ND1-OE1 2.78Å; H138-E143 PolarHBondContact ND1-OE1 3.09Å; H138-E143 IonicContact ND1-OE2 3.41Å; H138-E143 PolarHBondContact ND1-OE2 3.32Å
139P94.1Very high96.8Very high64 Ų6467 Ų6742%0.41634%0.344SS..SBendcis-84.3127.3-8.632.2-31.2000111.6L75 E143L75-P139 HydrophobicContact CB-CB 4.47Å; L75-P139 HydrophobicContact CD2-CB 3.67Å; L75-P139 HydrophobicContact CD2-CG 3.53Å; P139-E143 WeakPolarHBondContact CA-OE1 3.41Å
140T96.6Very high96.8Very high52 Ų5267.6 Ų67.632%0.31934%0.342SS..  trans-139.9160.8169.868.70000112.1I137 S142 E143I137-T140 HydrophobicContact CB-CG2 4Å; I137-T140 HydrophobicContact CG2-CG2 3.75Å; I137-T140 WeakPolarHBondContact O-CB 2.94Å; I137-T140 WeakPolarHBondContact O-CG2 3.07Å; I137-T140 PolarHBondContact O-N 2.94Å; I137-T140 PolarHBondContact O-OG1 3.04Å; T140-S142 VanDerWaalsContact C-N 3.29Å; T140-S142 PolarHBondContact OG1-N 3.43Å; T140-E143 PolarHBondContact N-OE1 3.43Å; T140-E143 WeakPolarHBondContact O-CG 3.49Å; T140-E143 PolarHBondContact OG1-N 3.36Å; T140-E143 VanDerWaalsContact OG1-N 3.13Å
141C96.2Very high96.8Very high16 Ų1663.1 Ų63.111%0.10832%0.322CS..SBendtrans-73.7-26.7168.4-62.80000111.7Y72 F106 E144Y72-C141 HydrophobicContact CE2-CB 3.85Å; F106-C141 HydrophobicContact CZ-CB 3.91Å; C141-E144 WeakPolarHBondContact O-CB 3.47Å; C141-E144 WeakPolarHBondContact O-CG 3.32Å; C141-E144 PolarHBondContact O-N 3.42Å
142S97.3Very high96.8Very high39 Ų3966.7 Ų66.727%0.27334%0.337SS..G310 helixtrans-72.2-30.1-175.8-169.30000113.1T140 E144 V145T140-S142 VanDerWaalsContact C-N 3.29Å; T140-S142 PolarHBondContact OG1-N 3.43Å; S142-E144 PolarHBondContact O-N 3.13Å; S142-E144 VanDerWaalsContact O-N 3.09Å; S142-V145 PolarHBondContact O-N 3.13Å; S142-V145 VanDerWaalsContact O-N 3.13Å
143E97Very high96.7Very high19 Ų1970.9 Ų70.99%0.08935%0.352CS..G310 helixtrans-60.1-19.4175.754.2166136.700113.5I137 H138 P139 T140 V145 V146 K147I137-E143 WeakPolarHBondContact O-CB 3.35Å; I137-E143 WeakPolarHBondContact O-CG 3.03Å; H138-E143 WeakPolarHBondContact CA-OE1 3.31Å; H138-E143 IonicContact CE1-OE1 3.76Å; H138-E143 IonicContact CG-OE1 3.58Å; H138-E143 IonicContact ND1-OE1 2.78Å; H138-E143 PolarHBondContact ND1-OE1 3.09Å; H138-E143 IonicContact ND1-OE2 3.41Å; H138-E143 PolarHBondContact ND1-OE2 3.32Å; P139-E143 WeakPolarHBondContact CA-OE1 3.41Å; T140-E143 PolarHBondContact N-OE1 3.43Å; T140-E143 WeakPolarHBondContact O-CG 3.49Å; T140-E143 PolarHBondContact OG1-N 3.36Å; T140-E143 VanDerWaalsContact OG1-N 3.13Å; E143-V145 PolarHBondContact O-N 3.09Å; E143-V146 HydrophobicContact CB-CG2 4.46Å; E143-V146 WeakPolarHBondContact O-CG2 3.24Å; E143-V146 PolarHBondContact O-N 2.83Å; E143-V146 VanDerWaalsContact O-N 3.13Å; E143-K147 VanDerWaalsContact CD-NZ 3.33Å; E143-K147 WeakPolarHBondContact O-CE 3.49Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 3.04Å; E143-K147 WeakPolarHBondContact OE2-CE 3.1Å; E143-K147 IonicContact OE2-NZ 2.94Å; E143-K147 PolarHBondContact OE2-NZ 2.87Å
144E96.1Very high96.7Very high28 Ų2863.7 Ų63.713%0.13133%0.333CS..G310 helixtrans-61-31.5176.2-60.7-56143.800112.3Y72 V89 C141 S142 V146 K147 L148Y72-E144 HydrophobicContact CD1-CG 4.44Å; Y72-E144 HydrophobicContact CD2-CG 3.83Å; Y72-E144 HydrophobicContact CG-CB 4.39Å; Y72-E144 HydrophobicContact CG-CG 3.73Å; V89-E144 HydrophobicContact CG1-CB 4.18Å; C141-E144 WeakPolarHBondContact O-CB 3.47Å; C141-E144 WeakPolarHBondContact O-CG 3.32Å; C141-E144 PolarHBondContact O-N 3.42Å; S142-E144 PolarHBondContact O-N 3.13Å; S142-E144 VanDerWaalsContact O-N 3.09Å; E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 3.27Å; E144-K147 VanDerWaalsContact CD-CE 3.43Å; E144-K147 PolarHBondContact O-N 3.01Å; E144-K147 VanDerWaalsContact O-N 3.09Å; E144-K147 VanDerWaalsContact OE1-CE 3.28Å; E144-K147 WeakPolarHBondContact OE1-CE 3.22Å; E144-K147 IonicContact OE1-NZ 2.73Å; E144-K147 PolarHBondContact OE1-NZ 3.39Å; E144-K147 VanDerWaalsContact OE2-CE 3.31Å; E144-K147 WeakPolarHBondContact OE2-CE 3.28Å; E144-K147 IonicContact OE2-NZ 2.77Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.84Å
145V97.6Very high96.7Very high0 Ų063 Ų630%034%0.343CS..G310 helixtrans-62.8-33.7177.5-178.40000111.7V89 M91 L104 F106 V114 F118 V131 M132 S142 E143 K147V89-V145 HydrophobicContact CG2-CG2 4.05Å; M91-V145 HydrophobicContact CE-CG1 3.53Å; L104-V145 HydrophobicContact CD1-CG1 3.9Å; L104-V145 HydrophobicContact CD1-CG2 4.28Å; L104-V145 HydrophobicContact CD2-CG1 4.32Å; L104-V145 HydrophobicContact CD2-CG2 4.44Å; F106-V145 HydrophobicContact CD2-CG2 4.25Å; F106-V145 HydrophobicContact CE2-CG2 4.42Å; V114-V145 HydrophobicContact CG1-CG2 4.34Å; F118-V145 HydrophobicContact CD1-CG1 3.96Å; F118-V145 HydrophobicContact CD2-CG1 4.28Å; F118-V145 HydrophobicContact CD2-CG2 4.23Å; F118-V145 HydrophobicContact CE1-CB 4.06Å; F118-V145 HydrophobicContact CE1-CG1 3.47Å; F118-V145 VanDerWaalsContact CE1-CG1 3.47Å; F118-V145 HydrophobicContact CE2-CB 3.73Å; F118-V145 HydrophobicContact CE2-CG1 3.83Å; F118-V145 HydrophobicContact CE2-CG2 3.63Å; F118-V145 HydrophobicContact CG-CG1 4.36Å; F118-V145 HydrophobicContact CZ-CB 3.46Å; F118-V145 VanDerWaalsContact CZ-CB 3.46Å; F118-V145 HydrophobicContact CZ-CG1 3.41Å; F118-V145 VanDerWaalsContact CZ-CG1 3.41Å; F118-V145 HydrophobicContact CZ-CG2 3.94Å; V131-V145 HydrophobicContact CG1-CG1 4.27Å; M132-V145 WeakPolarHBondContact CE-O 3.49Å; S142-V145 PolarHBondContact O-N 3.13Å; S142-V145 VanDerWaalsContact O-N 3.13Å; E143-V145 PolarHBondContact O-N 3.09Å; V145-K147 VanDerWaalsContact C-N 3.32Å
146V97.3Very high96.6Very high15 Ų1562 Ų629%0.09133%0.332CS..G310 helixtrans-88.50.5179-55.80000113.2V131 T134 E143 E144V131-V146 HydrophobicContact CG1-CG1 3.99Å; T134-V146 HydrophobicContact CG2-CG1 4.05Å; E143-V146 HydrophobicContact CB-CG2 4.46Å; E143-V146 WeakPolarHBondContact O-CG2 3.24Å; E143-V146 PolarHBondContact O-N 2.83Å; E143-V146 VanDerWaalsContact O-N 3.13Å; E144-V146 VanDerWaalsContact C-N 3.26Å; E144-V146 PolarHBondContact O-N 3.27Å
147K95.3Very high96.4Very high90 Ų9065.6 Ų65.639%0.39134%0.344SS..G310 helixtrans-110.14178-66.4-178.9-62.7-172.50113.6E143 E144 V145 R149E143-K147 VanDerWaalsContact CD-NZ 3.33Å; E143-K147 WeakPolarHBondContact O-CE 3.49Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 3.04Å; E143-K147 WeakPolarHBondContact OE2-CE 3.1Å; E143-K147 IonicContact OE2-NZ 2.94Å; E143-K147 PolarHBondContact OE2-NZ 2.87Å; E144-K147 VanDerWaalsContact CD-CE 3.43Å; E144-K147 PolarHBondContact O-N 3.01Å; E144-K147 VanDerWaalsContact O-N 3.09Å; E144-K147 VanDerWaalsContact OE1-CE 3.28Å; E144-K147 WeakPolarHBondContact OE1-CE 3.22Å; E144-K147 IonicContact OE1-NZ 2.73Å; E144-K147 PolarHBondContact OE1-NZ 3.39Å; E144-K147 VanDerWaalsContact OE2-CE 3.31Å; E144-K147 WeakPolarHBondContact OE2-CE 3.28Å; E144-K147 IonicContact OE2-NZ 2.77Å; V145-K147 VanDerWaalsContact C-N 3.32Å; K147-R149 PolarHBondContact O-N 3.47Å
148L96Very high96.2Very high0 Ų060.4 Ų60.40%032%0.319CS..  trans-67.595.1-178.5-70.2179.6000113.6A70 V89 M91 Y128 M132 E144A70-L148 HydrophobicContact CB-CD2 3.8Å; V89-L148 HydrophobicContact CG1-CD2 3.76Å; V89-L148 HydrophobicContact CG2-CD1 4.04Å; M91-L148 HydrophobicContact CB-CD1 3.65Å; M91-L148 HydrophobicContact CE-CD1 4.06Å; Y128-L148 WeakPolarHBondContact CE2-O 3.35Å; Y128-L148 PolarHBondContact OH-O 3.18Å; M132-L148 HydrophobicContact CE-CB 4.22Å; E144-L148 WeakPolarHBondContact O-CG 3.43Å; E144-L148 PolarHBondContact O-N 2.84Å
149R95.2Very high95.9Very high172 Ų17256.8 Ų56.865%0.64931%0.308SS*.  trans-107.8-27.7179.4-61.7-65.8179.9152.6-2114.4K147K147-R149 PolarHBondContact O-N 3.47Å
150I97.4Very high94.8Very high49 Ų4957.8 Ų57.825%0.25131%0.312SS..  trans-81.8126.4-176.9-62.3-179.8000108.9Y68 H69 L156 D157Y68-I150 CarbonylContact C-O 3.56Å; Y68-I150 VanDerWaalsContact CA-O 3.24Å; Y68-I150 WeakPolarHBondContact CA-O 3.31Å; H69-I150 PolarHBondContact N-O 3.43Å; I150-L156 HydrophobicContact CG2-CB 3.95Å; I150-D157 WeakPolarHBondContact CD1-O 3.47Å
151S97.8Very high92.9Very high15 Ų1560.5 Ų60.511%0.10533%0.329CS..BIsolated β-bridgetrans-105.4145.4173.988.90000111.7E66 V67 R153 S154E66-S151 VanDerWaalsContact OE1-CB 3.27Å; E66-S151 WeakPolarHBondContact OE1-CB 3.48Å; E66-S151 PolarHBondContact OE1-OG 3.5Å; V67-S151 CarbonylContact O-C 3.5Å; V67-S151 WeakPolarHBondContact O-CA 3.39Å; S151-R153 PolarHBondContact O-N 3.41Å; S151-S154 WeakPolarHBondContact O-CB 3.47Å; S151-S154 PolarHBondContact O-N 3.37Å; S151-S154 PolarHBondContact O-OG 3.14Å; S151-S154 PolarHBondContact OG-N 3.18Å
152K98.1Very high90.8Very high85 Ų8562.9 Ų62.937%0.3736%0.356SS..G310 helixtrans-55.4-36.8175.4-78.1-174166.8-176.70112.6E53 V67 S154 G155E53-K152 WeakPolarHBondContact OE1-CD 3.42Å; E53-K152 IonicContact OE1-NZ 3.6Å; E53-K152 PolarHBondContact OE1-NZ 2.97Å; E53-K152 IonicContact OE2-NZ 2.78Å; E53-K152 PolarHBondContact OE2-NZ 3.43Å; V67-K152 HydrophobicContact CB-CB 4.43Å; V67-K152 HydrophobicContact CB-CD 4.06Å; V67-K152 HydrophobicContact CB-CG 4.29Å; V67-K152 HydrophobicContact CG1-CD 3.95Å; V67-K152 HydrophobicContact CG1-CG 4.31Å; V67-K152 PolarHBondContact O-N 2.7Å; K152-S154 PolarHBondContact O-N 3Å; K152-G155 PolarHBondContact O-N 2.77Å
153R97.3Very high88.3Confident110 Ų11067.8 Ų67.842%0.41539%0.389SS..G310 helixtrans-63.8-29.3178.1-171.4-176.8-60.7-81.9-3.2112.7Q62 V65 E66 S151 G155Q62-R153 PolarHBondContact O-NH2 3.13Å; V65-R153 PolarHBondContact O-NH2 2.71Å; E66-R153 WeakPolarHBondContact OE1-CB 3.01Å; E66-R153 IonicContact OE1-NE 3.71Å; E66-R153 IonicContact OE2-NE 3.33Å; E66-R153 PolarHBondContact OE2-NE 2.78Å; S151-R153 PolarHBondContact O-N 3.41Å; R153-G155 PolarHBondContact O-N 2.94Å
154S97Very high85.7Confident58 Ų5871.8 Ų71.841%0.40642%0.418SS..G310 helixtrans-69.7-22178.175.40000113.3S151 K152 L156S151-S154 WeakPolarHBondContact O-CB 3.47Å; S151-S154 PolarHBondContact O-N 3.37Å; S151-S154 PolarHBondContact O-OG 3.14Å; S151-S154 PolarHBondContact OG-N 3.18Å; K152-S154 PolarHBondContact O-N 3Å; S154-L156 PolarHBondContact O-N 3.02Å; S154-L156 WeakPolarHBondContact OG-CG 3.48Å; S154-L156 PolarHBondContact OG-N 3.01Å
155G96.3Very high83.1Confident69 Ų6977.6 Ų77.671%0.71149%0.485SS*.THydrogen-bonded Turntrans69.66.2-175.500000114.8K152 R153K152-G155 PolarHBondContact O-N 2.77Å; R153-G155 PolarHBondContact O-N 2.94Å
156L95.2Very high82.3Confident111 Ų11181.5 Ų81.558%0.58151%0.509SS*.  trans-72152.3175.9-61.9173.9000111.2I150 S154 P158I150-L156 HydrophobicContact CG2-CB 3.95Å; S154-L156 PolarHBondContact O-N 3.02Å; S154-L156 WeakPolarHBondContact OG-CG 3.48Å; S154-L156 PolarHBondContact OG-N 3.01Å; L156-P158 WeakPolarHBondContact O-CD 3.41Å
157D93.3Very high81.6Confident107 Ų10784.9 Ų84.957%0.57253%0.531SS*.  trans-70119.7178.7-174.5-10.8000110.9I150 T159I150-D157 WeakPolarHBondContact CD1-O 3.47Å; D157-T159 PolarHBondContact O-N 3.2Å; D157-T159 WeakPolarHBondContact OD1-CB 3.34Å; D157-T159 PolarHBondContact OD1-N 2.61Å; D157-T159 PolarHBondContact OD1-OG1 3.26Å
158P92.9Very high80.8Confident22 Ų2284.7 Ų84.714%0.14354%0.539CS..  trans-75-0.8178.632.2-37.3000114.2A70 H71 L156 V160A70-P158 WeakPolarHBondContact CA-O 3.42Å; H71-P158 PolarHBondContact N-O 3.42Å; L156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-V160 PolarHBondContact O-N 3.27Å
159T89.5Confident79.9Confident72 Ų7289.6 Ų89.644%0.44257%0.571SS.*BIsolated β-bridgetrans-72.5116.9-179.3-51.40000110.2D157 T161D157-T159 PolarHBondContact O-N 3.2Å; D157-T159 WeakPolarHBondContact OD1-CB 3.34Å; D157-T159 PolarHBondContact OD1-N 2.61Å; D157-T159 PolarHBondContact OD1-OG1 3.26Å; T159-T161 PolarHBondContact O-N 3.25Å
160V71.3Confident78.9Confident84 Ų8484.5 Ų84.551%0.50957%0.566SS.*  trans-71.7103.3174.7176.90000109A70 H71 P158 G162A70-V160 HydrophobicContact CB-CG2 4.33Å; H71-V160 WeakPolarHBondContact O-CB 3.45Å; H71-V160 WeakPolarHBondContact O-CG2 3.43Å; P158-V160 PolarHBondContact O-N 3.27Å; V160-G162 PolarHBondContact O-N 3.48Å
161T55.9Low77.7Confident110 Ų11086.9 Ų86.968%0.67559%0.587SS**  trans-68.2124.7165.841.70000108.8T159T159-T161 PolarHBondContact O-N 3.25Å
162G52.5Low76.3Confident66 Ų6692 Ų9268%0.6862%0.621SS**SBendtrans-59.7162.7-163.600000117.4V160V160-G162 PolarHBondContact O-N 3.48Å
163C44.4Very low74.6Confident141 Ų14192.5 Ų92.595%0.95364%0.641SS**  trans53.349.3176.5-660000115.7
164C43.1Very low72.7Confident103 Ų10391.1 Ų91.170%0.69666%0.66SS**  trans-94.5100.8166.2-58.10000109.6
165G41.1Very low70.5Confident150 Ų15094.1 Ų94.1100%1.54668%0.683SS**  trans-75.90145.300000110.7

Retrieved 165 of 165 residues in 49.9 ms (Link to these results)

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