A0A078BQL1_CAEEL Loading...

Golgi resident protein GCP60

AlphaFold DB , UniProt , Accession A0A078BQL1, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 448 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
1M36.9Very low55.7Low235 Ų235142.6 Ų142.6100%1.15874%0.735SS**  0105.40-73.3-177.7-111.500105.4D3M1-D3 PolarHBondContact O-N 2.91Å
2A40.9Very low57.7Low100 Ų100134.7 Ų134.783%0.82670%0.698SS**  trans-86.492.1177.400000107E4A2-E4 PolarHBondContact O-N 3.17Å
3D44.2Very low59.6Low157 Ų157131.5 Ų131.584%0.8468%0.678SS**  trans-92.680.3165.7-89.4-27.6000107.6M1M1-D3 PolarHBondContact O-N 2.91Å
4E47.6Very low61.6Low176 Ų176127.4 Ų127.482%0.82266%0.657SS**  trans-130.855.1171.8-74.9-170165.700110.6A2 H6A2-E4 PolarHBondContact O-N 3.17Å; E4-H6 PolarHBondContact O-N 3.49Å; E4-H6 VanDerWaalsContact O-N 3.11Å
5N49.5Very low63.3Low165 Ų165118.9 Ų118.988%0.88261%0.613SS**  trans-79.951.7156.4-90.1-9.8000109.9V7N5-V7 VanDerWaalsContact C-N 3.27Å; N5-V7 PolarHBondContact O-N 2.64Å
6H48.2Very low64.6Low166 Ų166119.1 Ų119.177%0.76961%0.61SS**  trans-77.286.6171.4-141.782.4000107.3E4 R8E4-H6 PolarHBondContact O-N 3.49Å; E4-H6 VanDerWaalsContact O-N 3.11Å; H6-R8 PolarHBondContact O-N 3.46Å
7V53.9Low65.8Low112 Ų112117.2 Ų117.268%0.67961%0.61SS**  trans-62.3101.7170.4179.80000106.5N5 L9N5-V7 VanDerWaalsContact C-N 3.27Å; N5-V7 PolarHBondContact O-N 2.64Å; V7-L9 HydrophobicContact CG1-CD2 4.38Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-L9 VanDerWaalsContact O-N 3.08Å
8R57.6Low67Low228 Ų228115.3 Ų115.386%0.8660%0.598SS**  trans-68.9104.4170.3-74-171179.6-170.2-0.2107.2H6H6-R8 PolarHBondContact O-N 3.46Å
9L73.5Confident68.1Low85 Ų85109.9 Ų109.945%0.44557%0.569SS.*  trans-63.3139.2167.8-63.4175.9000108.2V7 Q13V7-L9 HydrophobicContact CG1-CD2 4.38Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-L9 VanDerWaalsContact O-N 3.08Å; L9-Q13 HydrophobicContact CB-CB 3.92Å; L9-Q13 HydrophobicContact CD2-CB 4.08Å; L9-Q13 HydrophobicContact CG-CB 4.48Å
10S80.3Confident68.9Low56 Ų56106 Ų10639%0.39256%0.557SS.*  trans-64.3160.1166650000110V12 Q13 L14S10-V12 PolarHBondContact O-N 2.91Å; S10-Q13 WeakPolarHBondContact O-CB 3.48Å; S10-Q13 PolarHBondContact O-N 3.31Å; S10-Q13 WeakPolarHBondContact OG-CG 3.4Å; S10-Q13 PolarHBondContact OG-N 3.26Å; S10-L14 PolarHBondContact O-N 3.24Å
11E80.6Confident69.5Low89 Ų89101.4 Ų101.442%0.41653%0.533SS..Hα-helixtrans-55.3-38.6176.4-64.4-173.5163.300111.6Q13 L14 I15 A99E11-Q13 PolarHBondContact O-N 3.06Å; E11-L14 WeakPolarHBondContact O-CB 3.48Å; E11-L14 PolarHBondContact O-N 3.07Å; E11-I15 WeakPolarHBondContact O-CG1 3.32Å; E11-I15 PolarHBondContact O-N 3.39Å; E11-A99 HydrophobicContact CB-CB 3.93Å
12V79.5Confident71.9Confident47 Ų4792.8 Ų92.829%0.28550%0.495SS..Hα-helixtrans-59.1-45.4174-179.50000112.2S10 L14 I15 Q16 L23 D95S10-V12 PolarHBondContact O-N 2.91Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-I15 PolarHBondContact O-N 3.45Å; V12-Q16 PolarHBondContact O-N 3.07Å; V12-L23 HydrophobicContact CB-CD2 4.46Å; V12-L23 HydrophobicContact CG1-CB 4.22Å; V12-L23 HydrophobicContact CG1-CD2 4.11Å; V12-L23 HydrophobicContact CG2-CD2 3.82Å; V12-D95 HydrophobicContact CG2-CB 3.99Å
13Q82.2Confident74.2Confident93 Ų9388.8 Ų88.844%0.43546%0.46SS..Hα-helixtrans-68.5-33.3177.6-73.1171.9-2500111.8L9 S10 E11 Q16 S17L9-Q13 HydrophobicContact CB-CB 3.92Å; L9-Q13 HydrophobicContact CD2-CB 4.08Å; L9-Q13 HydrophobicContact CG-CB 4.48Å; S10-Q13 WeakPolarHBondContact O-CB 3.48Å; S10-Q13 PolarHBondContact O-N 3.31Å; S10-Q13 WeakPolarHBondContact OG-CG 3.4Å; S10-Q13 PolarHBondContact OG-N 3.26Å; E11-Q13 PolarHBondContact O-N 3.06Å; Q13-Q16 PolarHBondContact O-N 2.99Å; Q13-S17 WeakPolarHBondContact O-CB 3.36Å; Q13-S17 PolarHBondContact O-N 3.48Å
14L87.1Confident76.2Confident74 Ų7486.2 Ų86.239%0.38744%0.443SS..Hα-helixtrans-66.5-42.7175.9-169.965.9000110.9S10 E11 V12 Q16 S17 E18 F103S10-L14 PolarHBondContact O-N 3.24Å; E11-L14 WeakPolarHBondContact O-CB 3.48Å; E11-L14 PolarHBondContact O-N 3.07Å; V12-L14 VanDerWaalsContact C-N 3.31Å; L14-Q16 PolarHBondContact O-N 3.3Å; L14-S17 PolarHBondContact O-N 3.13Å; L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.5Å; L14-E18 PolarHBondContact O-N 2.86Å; L14-F103 HydrophobicContact CB-CZ 4Å; L14-F103 HydrophobicContact CD2-CE1 4.21Å; L14-F103 HydrophobicContact CD2-CE2 4.28Å; L14-F103 HydrophobicContact CD2-CZ 3.61Å; L14-F103 HydrophobicContact CG-CE1 4.36Å; L14-F103 HydrophobicContact CG-CZ 3.75Å
15I88Confident77.9Confident0 Ų081.3 Ų81.30%042%0.42CS..Hα-helixtrans-56.6-50173.5-68.7-68.1000110.9E11 V12 S17 E18 F19 L23 C26 A99 V102 F103E11-I15 WeakPolarHBondContact O-CG1 3.32Å; E11-I15 PolarHBondContact O-N 3.39Å; V12-I15 PolarHBondContact O-N 3.45Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 2.84Å; I15-E18 PolarHBondContact O-N 3.24Å; I15-F19 HydrophobicContact CD1-CD2 3.98Å; I15-F19 HydrophobicContact CD1-CE2 3.76Å; I15-F19 HydrophobicContact CG2-CD2 4.16Å; I15-F19 WeakPolarHBondContact O-CB 3.48Å; I15-F19 WeakPolarHBondContact O-CD2 3.45Å; I15-F19 PolarHBondContact O-N 3.09Å; I15-L23 HydrophobicContact CB-CD1 4.28Å; I15-L23 HydrophobicContact CG1-CD1 4Å; I15-L23 HydrophobicContact CG2-CD1 4.1Å; I15-C26 HydrophobicContact CG2-CB 3.74Å; I15-C26 VanDerWaalsContact CG2-SG 3.55Å; I15-A99 HydrophobicContact CG1-CB 3.93Å; I15-V102 HydrophobicContact CD1-CB 3.76Å; I15-V102 HydrophobicContact CD1-CG1 3.63Å; I15-F103 HydrophobicContact CD1-CD1 4.03Å; I15-F103 HydrophobicContact CD1-CD2 3.85Å; I15-F103 HydrophobicContact CD1-CE1 3.66Å; I15-F103 HydrophobicContact CD1-CE2 3.46Å; I15-F103 VanDerWaalsContact CD1-CE2 3.46Å; I15-F103 HydrophobicContact CD1-CG 4.1Å; I15-F103 HydrophobicContact CD1-CZ 3.35Å; I15-F103 HydrophobicContact CG1-CD2 4.49Å; I15-F103 HydrophobicContact CG1-CE2 3.75Å; I15-F103 HydrophobicContact CG1-CZ 3.75Å
16Q84.6Confident79.8Confident122 Ų12273.4 Ų73.457%0.5738%0.378SS*.Hα-helixtrans-62.2-36.6179.6-171.6173.117.300112.2V12 Q13 L14 G20 H21V12-Q16 PolarHBondContact O-N 3.07Å; Q13-Q16 PolarHBondContact O-N 2.99Å; L14-Q16 PolarHBondContact O-N 3.3Å; Q16-G20 WeakPolarHBondContact O-CA 2.99Å; Q16-G20 PolarHBondContact O-N 3.26Å; Q16-H21 WeakPolarHBondContact CA-O 3.27Å
17S84.8Confident81.7Confident87 Ų8766.6 Ų66.661%0.60835%0.346SS*.Hα-helixtrans-70.4-40.7176.5-174.80000113Q13 L14 I15Q13-S17 WeakPolarHBondContact O-CB 3.36Å; Q13-S17 PolarHBondContact O-N 3.48Å; L14-S17 PolarHBondContact O-N 3.13Å; I15-S17 VanDerWaalsContact C-N 3.27Å; I15-S17 PolarHBondContact O-N 2.84Å
18E86.6Confident83.2Confident84 Ų8466.6 Ų66.639%0.39334%0.336SS..Hα-helixtrans-81.9-38.9-171.4-166.966.3-162.400112.3L14 I15 K113L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.5Å; L14-E18 PolarHBondContact O-N 2.86Å; I15-E18 PolarHBondContact O-N 3.24Å; E18-K113 IonicContact OE1-NZ 3.65Å; E18-K113 PolarHBondContact OE1-NZ 2.89Å
19F87.8Confident84.5Confident12 Ų1256.9 Ų56.95%0.05330%0.301CS..Hα-helixtrans-107.5-19.3-174.8-62.4-76.2000113I15 H21 C26 V102 F103 D106 F112 K113 I116I15-F19 HydrophobicContact CD1-CD2 3.98Å; I15-F19 HydrophobicContact CD1-CE2 3.76Å; I15-F19 HydrophobicContact CG2-CD2 4.16Å; I15-F19 WeakPolarHBondContact O-CB 3.48Å; I15-F19 WeakPolarHBondContact O-CD2 3.45Å; I15-F19 PolarHBondContact O-N 3.09Å; F19-H21 VanDerWaalsContact C-N 3.33Å; F19-H21 PolarHBondContact O-CD2 3.47Å; F19-H21 PolarHBondContact O-N 2.98Å; F19-C26 WeakPolarHBondContact CB-SG 3.05Å; F19-V102 HydrophobicContact CD2-CG1 4.09Å; F19-V102 HydrophobicContact CE2-CG1 3.71Å; F19-V102 HydrophobicContact CZ-CG1 3.99Å; F19-F103 HydrophobicContact CE2-CD1 4.29Å; F19-F103 HydrophobicContact CE2-CE1 4.06Å; F19-D106 HydrophobicContact CE1-CB 4.33Å; F19-D106 HydrophobicContact CZ-CB 3.85Å; F19-F112 HydrophobicContact CE1-CD1 4.24Å; F19-F112 HydrophobicContact CE1-CE1 4.01Å; F19-F112 HydrophobicContact CZ-CE1 4.39Å; F19-K113 HydrophobicContact CE1-CG 4.38Å; F19-I116 HydrophobicContact CB-CD1 4.33Å; F19-I116 HydrophobicContact CB-CG2 4.25Å; F19-I116 HydrophobicContact CD1-CD1 3.5Å; F19-I116 VanDerWaalsContact CD1-CD1 3.5Å; F19-I116 HydrophobicContact CD1-CG2 4.48Å; F19-I116 HydrophobicContact CE1-CD1 4.09Å; F19-I116 HydrophobicContact CG-CD1 4.08Å
20G84Confident85.2Confident31 Ų3152.8 Ų52.832%0.3228%0.28SS..SBendtrans7517.6175.900000115.3Q16Q16-G20 WeakPolarHBondContact O-CA 2.99Å; Q16-G20 PolarHBondContact O-N 3.26Å
21H82.3Confident85.3Confident11 Ų1151.3 Ų51.35%0.05127%0.269CS..SBendtrans-124.4168.2177.4-74.3-82.8000110.9Q16 F19 E25 C26 I116 K120Q16-H21 WeakPolarHBondContact CA-O 3.27Å; F19-H21 VanDerWaalsContact C-N 3.33Å; F19-H21 PolarHBondContact O-CD2 3.47Å; F19-H21 PolarHBondContact O-N 2.98Å; H21-E25 HydrophobicContact CB-CB 4.04Å; H21-E25 IonicContact CE1-OE2 2.79Å; H21-E25 IonicContact CG-OE2 3.89Å; H21-E25 IonicContact ND1-OE2 2.63Å; H21-E25 PolarHBondContact ND1-OE2 2.95Å; H21-C26 VanDerWaalsContact CB-SG 3.58Å; H21-I116 VanDerWaalsContact CD2-CG2 3.47Å; H21-I116 WeakPolarHBondContact CD2-CG2 3.18Å; H21-K120 VanDerWaalsContact NE2-CB 3.34Å; H21-K120 WeakPolarHBondContact NE2-CB 3.43Å
22S86.9Confident85.2Confident53 Ų5350.3 Ų50.337%0.37126%0.264SS..  trans-66.4157.6168.7720000110.3E24 E25 C26S22-E24 VanDerWaalsContact C-N 3.27Å; S22-E24 PolarHBondContact O-N 2.93Å; S22-E25 PolarHBondContact O-N 3.26Å; S22-E25 WeakPolarHBondContact OG-CB 3.41Å; S22-E25 WeakPolarHBondContact OG-CG 3.36Å; S22-E25 PolarHBondContact OG-N 2.88Å; S22-C26 PolarHBondContact O-N 3.47Å
23L88.8Confident85.3Confident16 Ų1649 Ų498%0.08425%0.254CS..Hα-helixtrans-54.6-44177.2178.364.7000112.6V12 I15 C26 Y27 D95 M98 A99V12-L23 HydrophobicContact CB-CD2 4.46Å; V12-L23 HydrophobicContact CG1-CB 4.22Å; V12-L23 HydrophobicContact CG1-CD2 4.11Å; V12-L23 HydrophobicContact CG2-CD2 3.82Å; I15-L23 HydrophobicContact CB-CD1 4.28Å; I15-L23 HydrophobicContact CG1-CD1 4Å; I15-L23 HydrophobicContact CG2-CD1 4.1Å; L23-C26 PolarHBondContact O-N 3.08Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3Å; L23-D95 HydrophobicContact CD2-CB 3.61Å; L23-D95 WeakPolarHBondContact CD2-O 3.35Å; L23-M98 HydrophobicContact CD1-CB 3.94Å; L23-M98 HydrophobicContact CD2-CB 4.16Å; L23-M98 HydrophobicContact CD2-SD 4.46Å; L23-M98 HydrophobicContact CG-CB 3.92Å; L23-M98 HydrophobicContact CG-SD 4.3Å; L23-A99 HydrophobicContact CD1-CB 3.85Å
24E86.4Confident85.1Confident104 Ų10445.2 Ų45.249%0.48624%0.236SC..Hα-helixtrans-66.1-41.1-180-169.1178.2175.500111.9S22 Y27 K28S22-E24 VanDerWaalsContact C-N 3.27Å; S22-E24 PolarHBondContact O-N 2.93Å; E24-Y27 PolarHBondContact O-N 2.71Å; E24-K28 WeakPolarHBondContact O-CG 3.06Å; E24-K28 PolarHBondContact O-N 3.49Å; E24-K28 IonicContact OE1-NZ 2.94Å
25E84.1Confident84.3Confident72 Ų7242.7 Ų42.734%0.33622%0.222SC..Hα-helixtrans-64.4-45.2174.7-75.9-177.4170.500111.4H21 S22 Y27 K28 L29 K123H21-E25 HydrophobicContact CB-CB 4.04Å; H21-E25 IonicContact CE1-OE2 2.79Å; H21-E25 IonicContact CG-OE2 3.89Å; H21-E25 IonicContact ND1-OE2 2.63Å; H21-E25 PolarHBondContact ND1-OE2 2.95Å; S22-E25 PolarHBondContact O-N 3.26Å; S22-E25 WeakPolarHBondContact OG-CB 3.41Å; S22-E25 WeakPolarHBondContact OG-CG 3.36Å; S22-E25 PolarHBondContact OG-N 2.88Å; E25-Y27 VanDerWaalsContact C-N 3.33Å; E25-Y27 PolarHBondContact O-N 3.47Å; E25-K28 PolarHBondContact O-N 3.11Å; E25-L29 WeakPolarHBondContact O-CB 3.43Å; E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.31Å; E25-K123 IonicContact OE1-NZ 3.09Å; E25-K123 PolarHBondContact OE1-NZ 3.41Å; E25-K123 IonicContact OE2-NZ 3.54Å; E25-K123 PolarHBondContact OE2-NZ 2.88Å
26C88.9Confident83.4Confident0 Ų050.1 Ų50.10%025%0.254CS..Hα-helixtrans-58.9-44.8175.6-80.40000111.9I15 F19 H21 S22 L23 L29 A30 V102I15-C26 HydrophobicContact CG2-CB 3.74Å; I15-C26 VanDerWaalsContact CG2-SG 3.55Å; F19-C26 WeakPolarHBondContact CB-SG 3.05Å; H21-C26 VanDerWaalsContact CB-SG 3.58Å; S22-C26 PolarHBondContact O-N 3.47Å; L23-C26 PolarHBondContact O-N 3.08Å; C26-L29 PolarHBondContact O-N 3.12Å; C26-A30 WeakPolarHBondContact O-CB 3.4Å; C26-A30 PolarHBondContact O-N 2.84Å; C26-V102 HydrophobicContact CB-CG1 4.15Å; C26-V102 HydrophobicContact CB-CG2 3.96Å
27Y88.1Confident82.3Confident23 Ų2347.7 Ų47.79%0.0924%0.243CC..Hα-helixtrans-63-48.6178.8176.9-104.5000111.3L23 E24 E25 L29 A30 V31 V60 M98 F101L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3Å; E24-Y27 PolarHBondContact O-N 2.71Å; E25-Y27 VanDerWaalsContact C-N 3.33Å; E25-Y27 PolarHBondContact O-N 3.47Å; Y27-L29 VanDerWaalsContact C-N 3.32Å; Y27-L29 PolarHBondContact O-N 2.97Å; Y27-A30 WeakPolarHBondContact O-CB 3.17Å; Y27-A30 PolarHBondContact O-N 3.02Å; Y27-A30 VanDerWaalsContact O-N 3.13Å; Y27-V31 HydrophobicContact CD1-CG2 4.31Å; Y27-V31 HydrophobicContact CD2-CG2 4.22Å; Y27-V31 HydrophobicContact CE1-CG2 3.93Å; Y27-V31 HydrophobicContact CE2-CG2 3.83Å; Y27-V31 HydrophobicContact CG-CG2 4.44Å; Y27-V31 WeakPolarHBondContact O-CB 3.17Å; Y27-V31 VanDerWaalsContact O-CG2 3.23Å; Y27-V31 WeakPolarHBondContact O-CG2 3.24Å; Y27-V31 PolarHBondContact O-N 3.16Å; Y27-V60 HydrophobicContact CE1-CG1 3.83Å; Y27-V60 HydrophobicContact CE2-CG2 4.13Å; Y27-M98 HydrophobicContact CD1-CE 4Å; Y27-M98 HydrophobicContact CD1-CG 4.04Å; Y27-M98 HydrophobicContact CD1-SD 4.28Å; Y27-M98 HydrophobicContact CD2-CB 3.99Å; Y27-M98 HydrophobicContact CD2-CG 3.83Å; Y27-M98 HydrophobicContact CE1-CE 4.33Å; Y27-M98 HydrophobicContact CE1-CG 4.48Å; Y27-M98 HydrophobicContact CE2-CG 4.3Å; Y27-M98 HydrophobicContact CG-CB 4.09Å; Y27-M98 HydrophobicContact CG-CG 3.69Å; Y27-M98 HydrophobicContact CG-SD 4.23Å; Y27-F101 HydrophobicContact CD2-CB 4.04Å; Y27-F101 AromaticContact CD2-CD1 3.83Å; Y27-F101 HydrophobicContact CD2-CD1 3.83Å; Y27-F101 HydrophobicContact CD2-CG 4.04Å; Y27-F101 HydrophobicContact CE2-CB 3.91Å; Y27-F101 AromaticContact CE2-CD1 3.75Å; Y27-F101 HydrophobicContact CE2-CD1 3.75Å; Y27-F101 HydrophobicContact CE2-CD2 4.15Å; Y27-F101 HydrophobicContact CE2-CE1 4.31Å; Y27-F101 AromaticContact CE2-CG 3.67Å; Y27-F101 HydrophobicContact CE2-CG 3.67Å
28K84.5Confident81.1Confident111 Ų11143.9 Ų43.948%0.48322%0.215SC..Hα-helixtrans-57.5-43176.1-73.1-178.8-179.6-169.40112.3E24 E25 Q32E24-K28 WeakPolarHBondContact O-CG 3.06Å; E24-K28 PolarHBondContact O-N 3.49Å; E24-K28 IonicContact OE1-NZ 2.94Å; E25-K28 PolarHBondContact O-N 3.11Å; K28-Q32 WeakPolarHBondContact O-CB 3.48Å; K28-Q32 PolarHBondContact O-N 3Å
29L85.3Confident79.5Confident24 Ų2443.2 Ų43.213%0.12622%0.217CC..Hα-helixtrans-68.1-36.7176.5-71.6174.4000112.6E25 C26 Y27 Y33 F115 I116 K119E25-L29 WeakPolarHBondContact O-CB 3.43Å; E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.31Å; C26-L29 PolarHBondContact O-N 3.12Å; Y27-L29 VanDerWaalsContact C-N 3.32Å; Y27-L29 PolarHBondContact O-N 2.97Å; L29-Y33 WeakPolarHBondContact O-CB 3.28Å; L29-Y33 PolarHBondContact O-N 3.27Å; L29-F115 HydrophobicContact CB-CE1 4.19Å; L29-F115 HydrophobicContact CD2-CE1 4.11Å; L29-F115 HydrophobicContact CD2-CZ 4.44Å; L29-I116 HydrophobicContact CB-CG1 4.35Å; L29-I116 HydrophobicContact CD1-CG1 4.28Å; L29-K119 HydrophobicContact CD1-CB 4.39Å; L29-K119 HydrophobicContact CD2-CD 4.27Å; L29-K119 HydrophobicContact CD2-CG 4.12Å
30A87.6Confident77.6Confident0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-62.5-46.3175.400000111.7C26 Y27 Y33 Y34 F101 V102 V105 F112C26-A30 WeakPolarHBondContact O-CB 3.4Å; C26-A30 PolarHBondContact O-N 2.84Å; Y27-A30 WeakPolarHBondContact O-CB 3.17Å; Y27-A30 PolarHBondContact O-N 3.02Å; Y27-A30 VanDerWaalsContact O-N 3.13Å; A30-Y33 PolarHBondContact O-N 3.1Å; A30-Y34 WeakPolarHBondContact O-CB 3.38Å; A30-Y34 PolarHBondContact O-N 3.41Å; A30-F101 HydrophobicContact CB-CD1 3.89Å; A30-F101 HydrophobicContact CB-CE1 3.78Å; A30-V102 HydrophobicContact CB-CG2 4.07Å; A30-V105 HydrophobicContact CB-CB 4.32Å; A30-V105 HydrophobicContact CB-CG1 4.41Å; A30-V105 HydrophobicContact CB-CG2 4.19Å; A30-F112 VanDerWaalsContact CA-CZ 3.48Å; A30-F112 HydrophobicContact CB-CE1 4.3Å; A30-F112 HydrophobicContact CB-CE2 3.95Å; A30-F112 HydrophobicContact CB-CZ 3.47Å; A30-F112 VanDerWaalsContact CB-CZ 3.47Å
31V83.5Confident76.1Confident25 Ų2549.6 Ų49.615%0.15225%0.254CS..Hα-helixtrans-59-52175.71610000109.9Y27 Y33 Y34 K35 F101 Y352Y27-V31 HydrophobicContact CD1-CG2 4.31Å; Y27-V31 HydrophobicContact CD2-CG2 4.22Å; Y27-V31 HydrophobicContact CE1-CG2 3.93Å; Y27-V31 HydrophobicContact CE2-CG2 3.83Å; Y27-V31 HydrophobicContact CG-CG2 4.44Å; Y27-V31 WeakPolarHBondContact O-CB 3.17Å; Y27-V31 VanDerWaalsContact O-CG2 3.23Å; Y27-V31 WeakPolarHBondContact O-CG2 3.24Å; Y27-V31 PolarHBondContact O-N 3.16Å; V31-Y33 PolarHBondContact O-N 3.2Å; V31-Y34 PolarHBondContact O-N 2.86Å; V31-K35 PolarHBondContact O-N 3.27Å; V31-K35 VanDerWaalsContact O-N 3.1Å; V31-F101 HydrophobicContact CG2-CD1 4.36Å; V31-F101 HydrophobicContact CG2-CE1 3.65Å; V31-F101 HydrophobicContact CG2-CZ 3.87Å; V31-Y352 VanDerWaalsContact CA-OH 3.31Å; V31-Y352 WeakPolarHBondContact CA-OH 3.29Å; V31-Y352 HydrophobicContact CB-CE2 4Å; V31-Y352 HydrophobicContact CG1-CD2 3.61Å; V31-Y352 HydrophobicContact CG1-CE2 3.02Å; V31-Y352 PolarHBondContact O-OH 2.95Å
32Q77.5Confident74.3Confident67 Ų6758.9 Ų58.931%0.31330%0.298SS..Hα-helixtrans-59.5-43.4175.8-174.2179.541.800113K28 K36K28-Q32 WeakPolarHBondContact O-CB 3.48Å; K28-Q32 PolarHBondContact O-N 3Å; Q32-K36 PolarHBondContact O-N 3.1Å; Q32-K36 VanDerWaalsContact O-N 3.16Å
33Y82.1Confident72.6Confident21 Ų2159.8 Ų59.88%0.08230%0.296CS..Hα-helixtrans-66-46.4-178.7-179.1-89.6000111.7L29 A30 V31 K35 K36 E37 V105 C109 P111 F112 F115L29-Y33 WeakPolarHBondContact O-CB 3.28Å; L29-Y33 PolarHBondContact O-N 3.27Å; A30-Y33 PolarHBondContact O-N 3.1Å; V31-Y33 PolarHBondContact O-N 3.2Å; Y33-K35 VanDerWaalsContact C-N 3.32Å; Y33-K35 PolarHBondContact O-N 3.39Å; Y33-K36 PolarHBondContact O-N 2.94Å; Y33-E37 HydrophobicContact CE1-CG 4.29Å; Y33-E37 HydrophobicContact CE2-CG 4.23Å; Y33-E37 PolarHBondContact O-N 3.24Å; Y33-V105 HydrophobicContact CD1-CG1 4.19Å; Y33-C109 HydrophobicContact CD1-CB 4.43Å; Y33-C109 HydrophobicContact CE1-CB 3.66Å; Y33-P111 WeakPolarHBondContact OH-CB 3.38Å; Y33-F112 HydrophobicContact CD1-CB 4.09Å; Y33-F112 AromaticContact CD1-CD2 3.73Å; Y33-F112 HydrophobicContact CD1-CD2 3.73Å; Y33-F112 HydrophobicContact CD1-CG 4.29Å; Y33-F112 HydrophobicContact CD2-CD2 4.18Å; Y33-F112 HydrophobicContact CE1-CB 3.96Å; Y33-F112 HydrophobicContact CE1-CD2 4.42Å; Y33-F112 AromaticContact CG-CD2 3.61Å; Y33-F112 HydrophobicContact CG-CD2 3.61Å; Y33-F112 HydrophobicContact CG-CE2 4.34Å; Y33-F115 HydrophobicContact CD2-CB 3.67Å; Y33-F115 AromaticContact CD2-CD1 3.6Å; Y33-F115 HydrophobicContact CD2-CD1 3.6Å; Y33-F115 AromaticContact CD2-CD2 3.77Å; Y33-F115 HydrophobicContact CD2-CD2 3.77Å; Y33-F115 HydrophobicContact CD2-CE1 4.1Å; Y33-F115 HydrophobicContact CD2-CE2 4.23Å; Y33-F115 AromaticContact CD2-CG 3.4Å; Y33-F115 HydrophobicContact CD2-CG 3.4Å; Y33-F115 VanDerWaalsContact CD2-CG 3.4Å; Y33-F115 HydrophobicContact CD2-CZ 4.37Å; Y33-F115 HydrophobicContact CE2-CB 3.74Å; Y33-F115 HydrophobicContact CE2-CD2 4.31Å; Y33-F115 AromaticContact CE2-CG 3.97Å; Y33-F115 HydrophobicContact CE2-CG 3.97Å; Y33-F115 HydrophobicContact CG-CD1 4.12Å; Y33-F115 HydrophobicContact CG-CE1 4.41Å; Y33-F115 HydrophobicContact CG-CG 4.36Å
34Y78.4Confident71.5Confident13 Ų1363.8 Ų63.85%0.05132%0.323CS..Hα-helixtrans-59.8-43178.3-176.4-99.5000111A30 V31 H38 V45 R50 L53A30-Y34 WeakPolarHBondContact O-CB 3.38Å; A30-Y34 PolarHBondContact O-N 3.41Å; V31-Y34 PolarHBondContact O-N 2.86Å; Y34-H38 AromaticContact CD2-CD2 3.7Å; Y34-H38 HydrophobicContact CE2-CB 4.4Å; Y34-H38 AromaticContact CE2-CD2 3.96Å; Y34-H38 AromaticContact CE2-CG 4Å; Y34-H38 VanDerWaalsContact O-CB 3.25Å; Y34-H38 WeakPolarHBondContact O-CB 3.19Å; Y34-H38 PolarHBondContact O-CD2 3.4Å; Y34-H38 VanDerWaalsContact O-CD2 3.25Å; Y34-H38 PolarHBondContact O-N 3.17Å; Y34-H38 VanDerWaalsContact O-N 3.08Å; Y34-V45 HydrophobicContact CE2-CG2 4.41Å; Y34-R50 WeakPolarHBondContact OH-CG 3.25Å; Y34-L53 HydrophobicContact CD2-CD1 3.8Å; Y34-L53 HydrophobicContact CE2-CD1 3.37Å
35K70.6Confident71Confident21 Ų2159.3 Ų59.39%0.09130%0.303CS..Hα-helixtrans-56.4-56.3173.5-87-172.8154171.50114V31 Y33 E37 H38 V39 D348 Y352V31-K35 PolarHBondContact O-N 3.27Å; V31-K35 VanDerWaalsContact O-N 3.1Å; Y33-K35 VanDerWaalsContact C-N 3.32Å; Y33-K35 PolarHBondContact O-N 3.39Å; K35-E37 VanDerWaalsContact C-N 3.27Å; K35-E37 PolarHBondContact O-N 3.4Å; K35-H38 PolarHBondContact O-N 2.67Å; K35-V39 HydrophobicContact CB-CG2 4.41Å; K35-V39 HydrophobicContact CG-CG2 4.31Å; K35-V39 WeakPolarHBondContact O-CB 3.41Å; K35-V39 WeakPolarHBondContact O-CG2 3.17Å; K35-V39 PolarHBondContact O-N 2.71Å; K35-D348 PolarHBondContact NZ-O 2.97Å; K35-Y352 HydrophobicContact CB-CE2 4.48Å; K35-Y352 HydrophobicContact CD-CD2 3.38Å; K35-Y352 HydrophobicContact CD-CE2 3.17Å; K35-Y352 HydrophobicContact CD-CG 4.16Å; K35-Y352 VanDerWaalsContact CE-CA 3.41Å; K35-Y352 HydrophobicContact CG-CD2 3.96Å; K35-Y352 HydrophobicContact CG-CE1 4.39Å; K35-Y352 HydrophobicContact CG-CE2 3.28Å; K35-Y352 VanDerWaalsContact NZ-CG 3.29Å
36K68.3Low70.9Confident155 Ų15557.9 Ų57.967%0.67431%0.307SS*.Hα-helixtrans-64.3-33.3-170.3-173178.6178.7-179.20112.7Q32 Y33Q32-K36 PolarHBondContact O-N 3.1Å; Q32-K36 VanDerWaalsContact O-N 3.16Å; Y33-K36 PolarHBondContact O-N 2.94Å
37E62.1Low70.6Confident71 Ų7161.8 Ų61.833%0.33232%0.323SS..Hα-helixtrans-89.3-25.7-179.5-70.7-57.3152.400113.9Y33 K35 K41Y33-E37 HydrophobicContact CE1-CG 4.29Å; Y33-E37 HydrophobicContact CE2-CG 4.23Å; Y33-E37 PolarHBondContact O-N 3.24Å; K35-E37 VanDerWaalsContact C-N 3.27Å; K35-E37 PolarHBondContact O-N 3.4Å; E37-K41 IonicContact OE2-NZ 3.63Å; E37-K41 PolarHBondContact OE2-NZ 2.92Å; E37-K41 VanDerWaalsContact OE2-NZ 3.12Å
38H59.4Low70.5Confident7 Ų767.6 Ų67.63%0.03235%0.351CS..Hα-helixtrans-111.6-30.5-170.4-64.6-85.5000115.3Y34 K35 G40 K41 P44 V45 C109Y34-H38 AromaticContact CD2-CD2 3.7Å; Y34-H38 HydrophobicContact CE2-CB 4.4Å; Y34-H38 AromaticContact CE2-CD2 3.96Å; Y34-H38 AromaticContact CE2-CG 4Å; Y34-H38 VanDerWaalsContact O-CB 3.25Å; Y34-H38 WeakPolarHBondContact O-CB 3.19Å; Y34-H38 PolarHBondContact O-CD2 3.4Å; Y34-H38 VanDerWaalsContact O-CD2 3.25Å; Y34-H38 PolarHBondContact O-N 3.17Å; Y34-H38 VanDerWaalsContact O-N 3.08Å; K35-H38 PolarHBondContact O-N 2.67Å; H38-G40 PolarHBondContact O-N 3.34Å; H38-K41 PolarHBondContact O-N 2.83Å; H38-P44 VanDerWaalsContact CE1-CD 3.45Å; H38-P44 WeakPolarHBondContact CE1-CD 2.99Å; H38-V45 WeakPolarHBondContact CE1-CG2 3.27Å; H38-C109 PolarHBondContact NE2-SG 3.05Å
39V52.5Low70.7Confident70 Ų7063.7 Ų63.742%0.42434%0.335SS..THydrogen-bonded Turntrans-66112-180179.50000109.3K35 A355K35-V39 HydrophobicContact CB-CG2 4.41Å; K35-V39 HydrophobicContact CG-CG2 4.31Å; K35-V39 WeakPolarHBondContact O-CB 3.41Å; K35-V39 WeakPolarHBondContact O-CG2 3.17Å; K35-V39 PolarHBondContact O-N 2.71Å; V39-A355 HydrophobicContact CG1-CB 4.21Å; V39-A355 HydrophobicContact CG2-CB 4.1Å
40G49.3Very low70.7Confident66 Ų6664.6 Ų64.668%0.6834%0.337SS*.THydrogen-bonded Turntrans85.42.9175.500000116.8H38H38-G40 PolarHBondContact O-N 3.34Å
41K51.2Low70.7Confident111 Ų11165.1 Ų65.148%0.48334%0.34SS..SBendtrans-109.6130.2174.1-64.4-177.7-167154.50110.6E37 H38 E43E37-K41 IonicContact OE2-NZ 3.63Å; E37-K41 PolarHBondContact OE2-NZ 2.92Å; E37-K41 VanDerWaalsContact OE2-NZ 3.12Å; H38-K41 PolarHBondContact O-N 2.83Å; K41-E43 PolarHBondContact O-N 3.18Å
42Q44Very low71Confident206 Ų20668.1 Ų68.196%0.96335%0.351SS*.  trans-55.7126.3172.3-73.8-173.8-13.900110.2
43E53.1Low71.5Confident73 Ų7365.1 Ų65.134%0.34134%0.337SS..  trans-79.7152.3-144-88.6-168.1106.800119.8K41 R50K41-E43 PolarHBondContact O-N 3.18Å; E43-R50 WeakPolarHBondContact OE1-CD 3.48Å; E43-R50 IonicContact OE1-CZ 2.73Å; E43-R50 IonicContact OE1-NE 3.45Å; E43-R50 IonicContact OE1-NH1 3.37Å; E43-R50 PolarHBondContact OE1-NH1 2.95Å; E43-R50 IonicContact OE2-CZ 3.34Å; E43-R50 IonicContact OE2-NE 3.44Å; E43-R50 IonicContact OE2-NH1 3.68Å; E43-R50 PolarHBondContact OE2-NH1 2.68Å; E43-R50 IonicContact OE2-NH2 2.76Å; E43-R50 PolarHBondContact OE2-NH2 2.87Å
44P65.3Low71.7Confident100 Ų10064.8 Ų64.865%0.64934%0.336SS*.SBendtrans-87-24.2156.2-8.523.5000117.4H38H38-P44 VanDerWaalsContact CE1-CD 3.45Å; H38-P44 WeakPolarHBondContact CE1-CD 2.99Å
45V76.3Confident72.2Confident9 Ų964.3 Ų64.36%0.05534%0.335CS..SBendtrans-96.2144.2-170.1176.80000110.8Y34 H38 D49 R50 V108Y34-V45 HydrophobicContact CE2-CG2 4.41Å; H38-V45 WeakPolarHBondContact CE1-CG2 3.27Å; V45-D49 HydrophobicContact CG1-CB 3.99Å; V45-R50 HydrophobicContact CG1-CG 4.07Å; V45-R50 PolarHBondContact O-NH1 3.45Å; V45-V108 HydrophobicContact CG1-CB 4.22Å; V45-V108 HydrophobicContact CG1-CG2 4.09Å; V45-V108 HydrophobicContact CG2-CB 4.09Å; V45-V108 HydrophobicContact CG2-CG2 3.88Å
46G81Confident73.1Confident42 Ų4263.9 Ų63.943%0.43333%0.333SS..  trans-79.5149.5179.200000113.2E48 D49 R50G46-E48 PolarHBondContact O-N 2.96Å; G46-D49 PolarHBondContact O-N 3.47Å; G46-R50 PolarHBondContact O-N 3.15Å; G46-R50 PolarHBondContact O-NH1 3.48Å
47Y82.5Confident74Confident83 Ų8356.7 Ų56.733%0.32530%0.303SS..Hα-helixtrans-52.3-47.2-177.9178-99000113.5D49 R50 I51 D81Y47-D49 PolarHBondContact O-N 2.94Å; Y47-R50 VanDerWaalsContact CA-CZ 3.49Å; Y47-R50 VanDerWaalsContact N-NH1 3.19Å; Y47-R50 WeakPolarHBondContact O-CB 3.39Å; Y47-R50 PolarHBondContact O-N 3.46Å; Y47-R50 VanDerWaalsContact O-N 3.15Å; Y47-I51 HydrophobicContact CD1-CG1 4.14Å; Y47-I51 HydrophobicContact CE1-CD1 4.23Å; Y47-I51 HydrophobicContact CE1-CG1 3.76Å; Y47-I51 HydrophobicContact CE2-CD1 4.02Å; Y47-I51 HydrophobicContact CE2-CG1 4.18Å; Y47-I51 WeakPolarHBondContact O-CG1 3.17Å; Y47-I51 PolarHBondContact O-N 3.04Å; Y47-D81 WeakPolarHBondContact CE1-OD2 3.49Å; Y47-D81 PolarHBondContact OH-OD2 3.45Å
48E87.1Confident75Confident144 Ų14455.4 Ų55.467%0.67330%0.296SS*.Hα-helixtrans-59.9-34.6179-66.1-172.7179.100113.1G46 K52G46-E48 PolarHBondContact O-N 2.96Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 2.98Å
49D88.4Confident76.5Confident30 Ų3055.2 Ų55.216%0.1630%0.295CS..Hα-helixtrans-78.9-31.8179.5-73.9-21.6000111.5V45 G46 Y47 K52 L53 L104 R107 V108V45-D49 HydrophobicContact CG1-CB 3.99Å; G46-D49 PolarHBondContact O-N 3.47Å; Y47-D49 PolarHBondContact O-N 2.94Å; D49-K52 PolarHBondContact O-N 2.92Å; D49-K52 IonicContact OD1-NZ 2.94Å; D49-L53 WeakPolarHBondContact O-CG 3.31Å; D49-L53 PolarHBondContact O-N 3.47Å; D49-L104 HydrophobicContact CB-CD1 4.33Å; D49-R107 IonicContact OD1-CZ 3.85Å; D49-R107 IonicContact OD1-NH2 3.66Å; D49-R107 PolarHBondContact OD1-NH2 3.44Å; D49-R107 IonicContact OD2-CZ 3.98Å; D49-R107 IonicContact OD2-NH2 3.51Å; D49-R107 PolarHBondContact OD2-NH2 2.97Å; D49-V108 HydrophobicContact CB-CG1 3.9Å; D49-V108 WeakPolarHBondContact OD2-CG1 3.36Å
50R84.7Confident78Confident42 Ų4252.2 Ų52.216%0.15828%0.277CS..Hα-helixtrans-60-49167.6-74.3-162.3-70-67.817.3112.3Y34 E43 V45 G46 Y47 K52 L53 L54Y34-R50 WeakPolarHBondContact OH-CG 3.25Å; E43-R50 WeakPolarHBondContact OE1-CD 3.48Å; E43-R50 IonicContact OE1-CZ 2.73Å; E43-R50 IonicContact OE1-NE 3.45Å; E43-R50 IonicContact OE1-NH1 3.37Å; E43-R50 PolarHBondContact OE1-NH1 2.95Å; E43-R50 IonicContact OE2-CZ 3.34Å; E43-R50 IonicContact OE2-NE 3.44Å; E43-R50 IonicContact OE2-NH1 3.68Å; E43-R50 PolarHBondContact OE2-NH1 2.68Å; E43-R50 IonicContact OE2-NH2 2.76Å; E43-R50 PolarHBondContact OE2-NH2 2.87Å; V45-R50 HydrophobicContact CG1-CG 4.07Å; V45-R50 PolarHBondContact O-NH1 3.45Å; G46-R50 PolarHBondContact O-N 3.15Å; G46-R50 PolarHBondContact O-NH1 3.48Å; Y47-R50 VanDerWaalsContact CA-CZ 3.49Å; Y47-R50 VanDerWaalsContact N-NH1 3.19Å; Y47-R50 WeakPolarHBondContact O-CB 3.39Å; Y47-R50 PolarHBondContact O-N 3.46Å; Y47-R50 VanDerWaalsContact O-N 3.15Å; R50-K52 PolarHBondContact O-N 2.88Å; R50-L53 PolarHBondContact O-N 2.77Å; R50-L53 VanDerWaalsContact O-N 3.1Å; R50-L54 WeakPolarHBondContact O-CB 3.08Å; R50-L54 VanDerWaalsContact O-CG 3.3Å; R50-L54 WeakPolarHBondContact O-CG 3.3Å; R50-L54 PolarHBondContact O-N 2.86Å
51I86.7Confident79.5Confident12 Ų1253.1 Ų53.16%0.06226%0.264CS..Hα-helixtrans-56.7-39.3178.3-65.2-61.8000110.8Y47 S55 T78 D81 V82 A85Y47-I51 HydrophobicContact CD1-CG1 4.14Å; Y47-I51 HydrophobicContact CE1-CD1 4.23Å; Y47-I51 HydrophobicContact CE1-CG1 3.76Å; Y47-I51 HydrophobicContact CE2-CD1 4.02Å; Y47-I51 HydrophobicContact CE2-CG1 4.18Å; Y47-I51 WeakPolarHBondContact O-CG1 3.17Å; Y47-I51 PolarHBondContact O-N 3.04Å; I51-S55 WeakPolarHBondContact O-CB 3.42Å; I51-S55 PolarHBondContact O-N 2.85Å; I51-S55 PolarHBondContact O-OG 2.85Å; I51-T78 HydrophobicContact CD1-CG2 3.78Å; I51-D81 HydrophobicContact CD1-CB 3.84Å; I51-D81 HydrophobicContact CG1-CB 4.24Å; I51-D81 HydrophobicContact CG2-CB 4.18Å; I51-D81 WeakPolarHBondContact CG2-O 3.25Å; I51-V82 HydrophobicContact CD1-CG2 3.64Å; I51-V82 HydrophobicContact CG2-CG2 4.36Å; I51-A85 HydrophobicContact CG2-CB 3.71Å
52K90.8Very high81Confident88 Ų8852.7 Ų52.738%0.38326%0.263SS..Hα-helixtrans-68.7-42.4174.9-72169.7-169.3159.50113.3E48 D49 R50 L54 S55 L56 L104E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 2.98Å; D49-K52 PolarHBondContact O-N 2.92Å; D49-K52 IonicContact OD1-NZ 2.94Å; R50-K52 PolarHBondContact O-N 2.88Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-S55 PolarHBondContact O-N 3.16Å; K52-S55 PolarHBondContact O-OG 2.78Å; K52-S55 VanDerWaalsContact O-OG 3.05Å; K52-L56 WeakPolarHBondContact O-CB 3.32Å; K52-L56 WeakPolarHBondContact O-CD1 3.34Å; K52-L56 WeakPolarHBondContact O-CG 3.25Å; K52-L56 PolarHBondContact O-N 2.94Å; K52-L104 HydrophobicContact CB-CD2 3.54Å
53L88.8Confident83.1Confident3 Ų344.2 Ų44.22%0.01623%0.23CC..Hα-helixtrans-61.3-43.9175.9-73.4169.5000110.8Y34 D49 R50 L56 S57 F101 L104 V105 V108Y34-L53 HydrophobicContact CD2-CD1 3.8Å; Y34-L53 HydrophobicContact CE2-CD1 3.37Å; D49-L53 WeakPolarHBondContact O-CG 3.31Å; D49-L53 PolarHBondContact O-N 3.47Å; R50-L53 PolarHBondContact O-N 2.77Å; R50-L53 VanDerWaalsContact O-N 3.1Å; L53-L56 PolarHBondContact O-N 2.96Å; L53-S57 WeakPolarHBondContact O-CB 3.04Å; L53-S57 PolarHBondContact O-N 2.85Å; L53-F101 HydrophobicContact CB-CD2 4.48Å; L53-F101 HydrophobicContact CB-CE2 4Å; L53-F101 HydrophobicContact CD2-CD1 4.46Å; L53-F101 HydrophobicContact CD2-CD2 3.76Å; L53-F101 HydrophobicContact CD2-CE1 4.38Å; L53-F101 HydrophobicContact CD2-CE2 3.68Å; L53-F101 HydrophobicContact CD2-CG 4.16Å; L53-F101 HydrophobicContact CD2-CZ 4Å; L53-F101 HydrophobicContact CG-CE2 4.45Å; L53-F101 WeakPolarHBondContact O-CE2 3.36Å; L53-L104 HydrophobicContact CD2-CB 3.95Å; L53-L104 HydrophobicContact CD2-CD2 3.67Å; L53-L104 HydrophobicContact CD2-CG 3.72Å; L53-L104 HydrophobicContact CG-CD2 3.62Å; L53-L104 HydrophobicContact CG-CG 3.95Å; L53-V105 HydrophobicContact CD2-CG2 3.61Å; L53-V108 HydrophobicContact CD1-CG2 4.38Å
54L86.1Confident84.8Confident15 Ų1546.6 Ų46.68%0.07924%0.242CC..Hα-helixtrans-60.2-48.9175.6-75.3171.2000112.2R50 K52 S57 K58 V82 L356R50-L54 WeakPolarHBondContact O-CB 3.08Å; R50-L54 VanDerWaalsContact O-CG 3.3Å; R50-L54 WeakPolarHBondContact O-CG 3.3Å; R50-L54 PolarHBondContact O-N 2.86Å; K52-L54 VanDerWaalsContact C-N 3.32Å; L54-S57 WeakPolarHBondContact O-CB 3.15Å; L54-S57 PolarHBondContact O-N 3.07Å; L54-K58 PolarHBondContact O-N 2.85Å; L54-V82 HydrophobicContact CB-CG1 3.99Å; L54-V82 HydrophobicContact CB-CG2 3.67Å; L54-V82 HydrophobicContact CD1-CG2 3.6Å; L54-V82 HydrophobicContact CG-CG2 4.25Å; L54-L356 HydrophobicContact CD2-CB 4Å; L54-L356 HydrophobicContact CD2-CD1 3.51Å; L54-L356 HydrophobicContact CD2-CD2 3.24Å; L54-L356 HydrophobicContact CD2-CG 3.69Å; L54-L356 HydrophobicContact CG-CD2 4.48Å
55S87.9Confident85.7Confident3 Ų342.8 Ų42.82%0.02122%0.216CC..Hα-helixtrans-66.1-39.7-179.668.50000112.5I51 K52 S57 K58 Q59I51-S55 WeakPolarHBondContact O-CB 3.42Å; I51-S55 PolarHBondContact O-N 2.85Å; I51-S55 PolarHBondContact O-OG 2.85Å; K52-S55 PolarHBondContact O-N 3.16Å; K52-S55 PolarHBondContact O-OG 2.78Å; K52-S55 VanDerWaalsContact O-OG 3.05Å; S55-S57 VanDerWaalsContact C-N 3.34Å; S55-K58 PolarHBondContact O-N 2.9Å; S55-Q59 PolarHBondContact O-N 3.29Å
56L89.7Confident85.8Confident11 Ų1144.6 Ų44.66%0.05823%0.228CC..Hα-helixtrans-63.8-38.9174.1-72.6167.5000111.8K52 L53 Q59 V60 L89 L92 A97 F101 L104K52-L56 WeakPolarHBondContact O-CB 3.32Å; K52-L56 WeakPolarHBondContact O-CD1 3.34Å; K52-L56 WeakPolarHBondContact O-CG 3.25Å; K52-L56 PolarHBondContact O-N 2.94Å; L53-L56 PolarHBondContact O-N 2.96Å; L56-Q59 PolarHBondContact O-N 2.95Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 2.85Å; L56-L89 HydrophobicContact CD2-CD1 4.01Å; L56-L89 HydrophobicContact CD2-CD2 4.09Å; L56-L89 HydrophobicContact CG-CD1 4.42Å; L56-L92 HydrophobicContact CD2-CD2 3.99Å; L56-A97 HydrophobicContact CD2-CB 4.25Å; L56-F101 HydrophobicContact CB-CB 4.3Å; L56-F101 HydrophobicContact CB-CD2 4.07Å; L56-F101 HydrophobicContact CD1-CB 4.34Å; L56-L104 HydrophobicContact CD1-CD2 4.18Å
57S87Confident85.5Confident4 Ų449.2 Ų49.23%0.02824%0.243CC..Hα-helixtrans-60.7-47.7175.1-164.50000111.5L53 L54 S55 Q59 V60 Q61L53-S57 WeakPolarHBondContact O-CB 3.04Å; L53-S57 PolarHBondContact O-N 2.85Å; L54-S57 WeakPolarHBondContact O-CB 3.15Å; L54-S57 PolarHBondContact O-N 3.07Å; S55-S57 VanDerWaalsContact C-N 3.34Å; S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 3.47Å; S57-V60 PolarHBondContact O-N 3.28Å; S57-Q61 WeakPolarHBondContact O-CG 3.46Å; S57-Q61 PolarHBondContact O-N 2.95Å; S57-Q61 VanDerWaalsContact O-N 3.09Å
58K83.8Confident84.9Confident44 Ų4452.7 Ų52.719%0.19126%0.262CS..Hα-helixtrans-60.9-40.3175.6-67.4-165.8-178.8-173.40112.2L54 S55 V60 Q61 H62 V82 N83 W86L54-K58 PolarHBondContact O-N 2.85Å; S55-K58 PolarHBondContact O-N 2.9Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.4Å; K58-Q61 PolarHBondContact O-N 3.3Å; K58-H62 PolarHBondContact O-N 2.92Å; K58-V82 HydrophobicContact CD-CG1 4.01Å; K58-N83 PolarHBondContact NZ-OD1 3.2Å; K58-N83 VanDerWaalsContact NZ-OD1 3.15Å; K58-W86 HydrophobicContact CB-CD2 3.57Å; K58-W86 HydrophobicContact CB-CE3 3.72Å; K58-W86 HydrophobicContact CB-CG 4.24Å; K58-W86 HydrophobicContact CB-CH2 3.88Å; K58-W86 HydrophobicContact CB-CZ2 3.74Å; K58-W86 HydrophobicContact CB-CZ3 3.88Å; K58-W86 HydrophobicContact CD-CD2 4.01Å; K58-W86 HydrophobicContact CD-CE3 3.3Å; K58-W86 HydrophobicContact CD-CH2 4.17Å; K58-W86 HydrophobicContact CD-CZ3 3.41Å; K58-W86 VanDerWaalsContact CD-CZ3 3.41Å; K58-W86 HydrophobicContact CG-CD2 4.45Å; K58-W86 HydrophobicContact CG-CE3 4.16Å; K58-W86 HydrophobicContact CG-CZ3 4.22Å
59Q89.6Confident83.8Confident4 Ų449.1 Ų49.12%0.01925%0.245CC..Hα-helixtrans-61.3-40.9175.6-170.776.210.500112.3S55 L56 S57 G63 L89 G90 L92 A97S55-Q59 PolarHBondContact O-N 3.29Å; L56-Q59 PolarHBondContact O-N 2.95Å; S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 3.47Å; Q59-G63 WeakPolarHBondContact O-CA 3.35Å; Q59-G63 PolarHBondContact O-N 2.87Å; Q59-G63 PolarHBondContact OE1-O 3.38Å; Q59-G63 VanDerWaalsContact OE1-O 3.09Å; Q59-L89 HydrophobicContact CB-CD1 3.73Å; Q59-L89 HydrophobicContact CG-CD1 4.14Å; Q59-G90 PolarHBondContact NE2-O 2.92Å; Q59-L92 HydrophobicContact CG-CB 4.34Å; Q59-L92 PolarHBondContact NE2-O 2.8Å; Q59-A97 HydrophobicContact CB-CB 4.09Å; Q59-A97 HydrophobicContact CG-CB 3.84Å
60V85.8Confident82.7Confident6 Ų651.2 Ų51.24%0.03626%0.256CS..Hα-helixtrans-65.6-40.6177.51700000111.4Y27 L56 S57 K58 R94 A97 M98Y27-V60 HydrophobicContact CE1-CG1 3.83Å; Y27-V60 HydrophobicContact CE2-CG2 4.13Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 2.85Å; S57-V60 PolarHBondContact O-N 3.28Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.4Å; V60-R94 HydrophobicContact CG1-CG 4.21Å; V60-R94 PolarHBondContact O-NH1 3.12Å; V60-A97 HydrophobicContact CG2-CB 3.65Å; V60-M98 HydrophobicContact CG1-CE 3.55Å; V60-M98 HydrophobicContact CG1-CG 4.05Å; V60-M98 HydrophobicContact CG2-CB 4.49Å; V60-M98 HydrophobicContact CG2-CG 3.7Å
61Q79.5Confident81.4Confident86 Ų8655.8 Ų55.840%0.40228%0.284SS..Hα-helixtrans-77.1-50.6-175.7-71.5173.6-22.900113S57 K58S57-Q61 WeakPolarHBondContact O-CG 3.46Å; S57-Q61 PolarHBondContact O-N 2.95Å; S57-Q61 VanDerWaalsContact O-N 3.09Å; K58-Q61 PolarHBondContact O-N 3.3Å
62H82.4Confident80.1Confident102 Ų10256.5 Ų56.547%0.47229%0.291SS..Hα-helixtrans-109.4-11.3-169.2-58.9-62.6000113.6K58 F69 W86K58-H62 PolarHBondContact O-N 2.92Å; H62-F69 HydrophobicContact CB-CE2 4.32Å; H62-F69 HydrophobicContact CB-CZ 4.14Å; H62-F69 AromaticContact CD2-CZ 3.98Å; H62-F69 AromaticContact CG-CZ 3.7Å; H62-F69 AromaticContact ND1-CZ 3.75Å; H62-W86 HydrophobicContact CB-CH2 3.93Å; H62-W86 HydrophobicContact CB-CZ2 3.82Å
63G87.9Confident78Confident27 Ų2754.3 Ų54.328%0.27829%0.294SS..  trans78-147.9-171.200000111.7Q59 W86Q59-G63 WeakPolarHBondContact O-CA 3.35Å; Q59-G63 PolarHBondContact O-N 2.87Å; Q59-G63 PolarHBondContact OE1-O 3.38Å; Q59-G63 VanDerWaalsContact OE1-O 3.09Å; G63-W86 WeakPolarHBondContact O-CZ2 3.35Å; G63-W86 PolarHBondContact O-NE1 2.96Å
64E88.5Confident76.7Confident123 Ų12365.1 Ų65.158%0.57534%0.335SS*.SBendtrans-62.7137.5177.8-175.7172.3-171.800110.9S66E64-S66 PolarHBondContact O-N 2.8Å
65I84.8Confident74.5Confident21 Ų2170.8 Ų70.811%0.10836%0.364CS..PPolyproline II helixtrans-57.9125.2178.9-170.5172.9000111F69 N83 W86 R87I65-F69 HydrophobicContact CG1-CB 4.15Å; I65-N83 HydrophobicContact CD1-CB 4.07Å; I65-W86 HydrophobicContact CB-CD2 3.72Å; I65-W86 HydrophobicContact CB-CE3 3.9Å; I65-W86 HydrophobicContact CB-CG 4.13Å; I65-W86 HydrophobicContact CB-CH2 4.35Å; I65-W86 HydrophobicContact CB-CZ2 4.16Å; I65-W86 HydrophobicContact CB-CZ3 4.21Å; I65-W86 HydrophobicContact CD1-CD2 4.14Å; I65-W86 HydrophobicContact CD1-CE3 3.61Å; I65-W86 HydrophobicContact CD1-CZ3 4.08Å; I65-W86 HydrophobicContact CG1-CD2 4.06Å; I65-W86 HydrophobicContact CG1-CE3 3.68Å; I65-W86 HydrophobicContact CG1-CH2 4.27Å; I65-W86 HydrophobicContact CG1-CZ3 3.79Å; I65-R87 HydrophobicContact CG2-CB 3.83Å; I65-R87 HydrophobicContact CG2-CG 3.94Å
66S79Confident73.8Confident46 Ų4672.1 Ų72.132%0.32237%0.371SS..PPolyproline II helixtrans-96.2161.8170.4720000111E64 E68 F69E64-S66 PolarHBondContact O-N 2.8Å; S66-E68 PolarHBondContact O-N 3.48Å; S66-F69 PolarHBondContact O-N 3.19Å; S66-F69 VanDerWaalsContact O-N 3.12Å; S66-F69 WeakPolarHBondContact OG-CD2 3.3Å
67D74.9Confident72.9Confident139 Ų13977.1 Ų77.174%0.74340%0.397SS*.G310 helixtrans-60.1-16.3177.2-65.4-29.4000113.2F69 D70D67-F69 PolarHBondContact O-N 3.2Å; D67-D70 PolarHBondContact O-N 3.01Å
68E69.1Low72.3Confident156 Ų15677.4 Ų77.473%0.72940%0.399SS*.G310 helixtrans-66.9-25.1177-61.9179.3168.700112.7S66 N71S66-E68 PolarHBondContact O-N 3.48Å; E68-N71 PolarHBondContact O-ND2 3.23Å; E68-N71 VanDerWaalsContact O-ND2 3.11Å
69F64.9Low71.9Confident70 Ų7075.3 Ų75.331%0.30739%0.389SS..G310 helixtrans-92.3-3.4-179.6-65.7-81.8000113.7H62 I65 S66 D67 N71 N83 W86H62-F69 HydrophobicContact CB-CE2 4.32Å; H62-F69 HydrophobicContact CB-CZ 4.14Å; H62-F69 AromaticContact CD2-CZ 3.98Å; H62-F69 AromaticContact CG-CZ 3.7Å; H62-F69 AromaticContact ND1-CZ 3.75Å; I65-F69 HydrophobicContact CG1-CB 4.15Å; S66-F69 PolarHBondContact O-N 3.19Å; S66-F69 VanDerWaalsContact O-N 3.12Å; S66-F69 WeakPolarHBondContact OG-CD2 3.3Å; D67-F69 PolarHBondContact O-N 3.2Å; F69-N71 PolarHBondContact O-N 3.27Å; F69-N83 PolarHBondContact O-ND2 3.35Å; F69-N83 VanDerWaalsContact O-ND2 3.09Å; F69-W86 HydrophobicContact CB-CH2 4.43Å; F69-W86 HydrophobicContact CB-CZ3 3.91Å; F69-W86 HydrophobicContact CD1-CH2 4.22Å; F69-W86 HydrophobicContact CD1-CZ3 4.16Å; F69-W86 AromaticContact CD2-CH2 3.9Å; F69-W86 HydrophobicContact CD2-CH2 3.9Å; F69-W86 HydrophobicContact CD2-CZ3 4.25Å; F69-W86 HydrophobicContact CE1-CH2 4.47Å; F69-W86 HydrophobicContact CE2-CH2 4.17Å; F69-W86 AromaticContact CG-CH2 3.93Å; F69-W86 HydrophobicContact CG-CH2 3.93Å; F69-W86 AromaticContact CG-CZ3 3.85Å; F69-W86 HydrophobicContact CG-CZ3 3.85Å; F69-W86 HydrophobicContact CZ-CH2 4.44Å
70D64.1Low71.5Confident73 Ų7378 Ų7839%0.3940%0.404SS..  trans-81.635.3-178.4-1506.5000113D67 R87D67-D70 PolarHBondContact O-N 3.01Å; D70-R87 IonicContact OD1-NH2 3.61Å; D70-R87 IonicContact OD2-CZ 3.07Å; D70-R87 IonicContact OD2-NH1 3.49Å; D70-R87 IonicContact OD2-NH2 3.41Å; D70-R87 PolarHBondContact OD2-NH2 2.76Å
71N58Low71.4Confident139 Ų13980.4 Ų80.474%0.74342%0.417SS*.  trans-100.614.2-177.3-73.2-37.2000113.3E68 F69 G73E68-N71 PolarHBondContact O-ND2 3.23Å; E68-N71 VanDerWaalsContact O-ND2 3.11Å; F69-N71 PolarHBondContact O-N 3.27Å; N71-G73 PolarHBondContact O-N 3.17Å
72A58.8Low71.7Confident26 Ų2676.5 Ų76.522%0.21540%0.398CS..  trans-59.8121.5174.500000109.2N80A72-N80 VanDerWaalsContact CB-OD1 3.29Å; A72-N80 WeakPolarHBondContact CB-OD1 3.33Å
73G48.3Very low71.9Confident43 Ų4371.9 Ų71.944%0.44338%0.377SS..  trans-62.5157.7179.100000111.4N71 L75 D76 N80N71-G73 PolarHBondContact O-N 3.17Å; G73-L75 PolarHBondContact O-N 3.15Å; G73-D76 WeakPolarHBondContact O-CB 3.25Å; G73-D76 PolarHBondContact O-N 3.43Å; G73-N80 PolarHBondContact O-ND2 3.04Å
74W61.4Low71.9Confident230 Ų23076.5 Ų76.587%0.87139%0.39SS*.THydrogen-bonded Turntrans-58.4-20.9178.8173.463.7000114.3
75L38.9Very low72Confident133 Ų13371.4 Ų71.470%0.69637%0.369SS*.THydrogen-bonded Turntrans-91.5-4177.2-63177.4000114.1G73 I77G73-L75 PolarHBondContact O-N 3.15Å; L75-I77 PolarHBondContact O-N 3.41Å
76D74.1Confident72.3Confident32 Ų3270.4 Ų70.417%0.17136%0.364CS..  trans-95.378.6-176.8-179.312.9000110.9G73 G79 N80 Q360G73-D76 WeakPolarHBondContact O-CB 3.25Å; G73-D76 PolarHBondContact O-N 3.43Å; D76-G79 WeakPolarHBondContact OD1-CA 3.2Å; D76-G79 PolarHBondContact OD1-N 2.9Å; D76-G79 WeakPolarHBondContact OD2-CA 2.95Å; D76-N80 WeakPolarHBondContact O-CB 3.31Å; D76-N80 PolarHBondContact O-N 2.75Å; D76-N80 PolarHBondContact O-ND2 3.04Å; D76-Q360 WeakPolarHBondContact OD1-CG 3.39Å; D76-Q360 PolarHBondContact OD1-NE2 2.95Å; D76-Q360 PolarHBondContact OD2-NE2 3.47Å
77I69.8Low72.8Confident115 Ų11573.6 Ų73.659%0.5937%0.369SS*.Hα-helixtrans-64-46.2-176.6-62171.3000110.5L75 N80 D81L75-I77 PolarHBondContact O-N 3.41Å; I77-N80 PolarHBondContact O-N 3.43Å; I77-D81 WeakPolarHBondContact O-CB 3.48Å; I77-D81 PolarHBondContact O-N 3.4Å
78T73.9Confident73.7Confident11 Ų1173.9 Ų73.97%0.06737%0.365CS..Hα-helixtrans-61.9-46179.2-52.70000110.8I51 N80 D81 V82 A363I51-T78 HydrophobicContact CD1-CG2 3.78Å; T78-N80 PolarHBondContact O-N 2.98Å; T78-D81 PolarHBondContact O-N 3.3Å; T78-V82 HydrophobicContact CG2-CG2 4.47Å; T78-V82 VanDerWaalsContact O-CG2 3.28Å; T78-V82 WeakPolarHBondContact O-CG2 3.5Å; T78-V82 PolarHBondContact O-N 3.47Å; T78-A363 WeakPolarHBondContact OG1-CB 3.43Å
79G76.7Confident74.8Confident0 Ų068.6 Ų68.60%034%0.342CS..Hα-helixtrans-60.5-42.9176.300000113.7D76 V82 N83D76-G79 WeakPolarHBondContact OD1-CA 3.2Å; D76-G79 PolarHBondContact OD1-N 2.9Å; D76-G79 WeakPolarHBondContact OD2-CA 2.95Å; G79-V82 PolarHBondContact O-N 3.37Å; G79-N83 VanDerWaalsContact O-CB 3.3Å; G79-N83 WeakPolarHBondContact O-CB 3.16Å; G79-N83 VanDerWaalsContact O-CG 3.29Å; G79-N83 PolarHBondContact O-N 2.86Å
80N80.1Confident76.1Confident61 Ų6166.3 Ų66.333%0.32634%0.338SS..Hα-helixtrans-62.4-42.5175.1-75.5-39.7000111.8A72 G73 D76 I77 T78 N83 K84A72-N80 VanDerWaalsContact CB-OD1 3.29Å; A72-N80 WeakPolarHBondContact CB-OD1 3.33Å; G73-N80 PolarHBondContact O-ND2 3.04Å; D76-N80 WeakPolarHBondContact O-CB 3.31Å; D76-N80 PolarHBondContact O-N 2.75Å; D76-N80 PolarHBondContact O-ND2 3.04Å; I77-N80 PolarHBondContact O-N 3.43Å; T78-N80 PolarHBondContact O-N 2.98Å; N80-N83 PolarHBondContact O-N 2.94Å; N80-K84 VanDerWaalsContact O-CB 3.25Å; N80-K84 WeakPolarHBondContact O-CB 3.38Å; N80-K84 PolarHBondContact O-N 3.34Å
81D84.2Confident77.4Confident56 Ų5667.9 Ų67.930%0.29935%0.354SS..Hα-helixtrans-66.5-41.4177.2-76.6-18.7000111.9Y47 I51 I77 T78 K84 A85Y47-D81 WeakPolarHBondContact CE1-OD2 3.49Å; Y47-D81 PolarHBondContact OH-OD2 3.45Å; I51-D81 HydrophobicContact CD1-CB 3.84Å; I51-D81 HydrophobicContact CG1-CB 4.24Å; I51-D81 HydrophobicContact CG2-CB 4.18Å; I51-D81 WeakPolarHBondContact CG2-O 3.25Å; I77-D81 WeakPolarHBondContact O-CB 3.48Å; I77-D81 PolarHBondContact O-N 3.4Å; T78-D81 PolarHBondContact O-N 3.3Å; D81-K84 PolarHBondContact O-N 2.9Å; D81-A85 VanDerWaalsContact O-CB 3.31Å; D81-A85 WeakPolarHBondContact O-CB 3.23Å; D81-A85 PolarHBondContact O-N 2.92Å
82V85Confident79Confident3 Ų363.3 Ų63.32%0.01833%0.33CS..Hα-helixtrans-62.9-48.4174173.20000110.7I51 L54 K58 T78 G79 K84 A85 W86I51-V82 HydrophobicContact CD1-CG2 3.64Å; I51-V82 HydrophobicContact CG2-CG2 4.36Å; L54-V82 HydrophobicContact CB-CG1 3.99Å; L54-V82 HydrophobicContact CB-CG2 3.67Å; L54-V82 HydrophobicContact CD1-CG2 3.6Å; L54-V82 HydrophobicContact CG-CG2 4.25Å; K58-V82 HydrophobicContact CD-CG1 4.01Å; T78-V82 HydrophobicContact CG2-CG2 4.47Å; T78-V82 VanDerWaalsContact O-CG2 3.28Å; T78-V82 WeakPolarHBondContact O-CG2 3.5Å; T78-V82 PolarHBondContact O-N 3.47Å; G79-V82 PolarHBondContact O-N 3.37Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 3.49Å; V82-A85 PolarHBondContact O-N 2.91Å; V82-W86 WeakPolarHBondContact O-CB 3.48Å; V82-W86 PolarHBondContact O-N 3.01Å
83N87Confident80.6Confident5 Ų564.4 Ų64.43%0.02734%0.336CS..Hα-helixtrans-64.5-37-179.9-76.7-2.1000111.5K58 I65 F69 G79 N80 R87K58-N83 PolarHBondContact NZ-OD1 3.2Å; K58-N83 VanDerWaalsContact NZ-OD1 3.15Å; I65-N83 HydrophobicContact CD1-CB 4.07Å; F69-N83 PolarHBondContact O-ND2 3.35Å; F69-N83 VanDerWaalsContact O-ND2 3.09Å; G79-N83 VanDerWaalsContact O-CB 3.3Å; G79-N83 WeakPolarHBondContact O-CB 3.16Å; G79-N83 VanDerWaalsContact O-CG 3.29Å; G79-N83 PolarHBondContact O-N 2.86Å; N80-N83 PolarHBondContact O-N 2.94Å; N83-R87 VanDerWaalsContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CB 3.36Å; N83-R87 PolarHBondContact O-N 3.38Å
84K89.1Confident82.6Confident125 Ų12568.8 Ų68.854%0.54334%0.339SS..Hα-helixtrans-63.8-51.4172.6-177.8-173.5171.6-164.40111.3N80 D81 V82 W86 R87 E88N80-K84 VanDerWaalsContact O-CB 3.25Å; N80-K84 WeakPolarHBondContact O-CB 3.38Å; N80-K84 PolarHBondContact O-N 3.34Å; D81-K84 PolarHBondContact O-N 2.9Å; V82-K84 VanDerWaalsContact C-N 3.3Å; V82-K84 PolarHBondContact O-N 3.49Å; K84-W86 VanDerWaalsContact C-N 3.26Å; K84-W86 PolarHBondContact O-N 3.3Å; K84-R87 PolarHBondContact O-N 2.85Å; K84-E88 WeakPolarHBondContact CE-OE1 3.45Å; K84-E88 WeakPolarHBondContact O-CG 3.44Å; K84-E88 PolarHBondContact O-N 3.47Å
85A89.6Confident84Confident16 Ų1661.7 Ų61.713%0.13232%0.318CS..Hα-helixtrans-61.7-36.4178.300000111.8I51 D81 V82 E88 L89I51-A85 HydrophobicContact CG2-CB 3.71Å; D81-A85 VanDerWaalsContact O-CB 3.31Å; D81-A85 WeakPolarHBondContact O-CB 3.23Å; D81-A85 PolarHBondContact O-N 2.92Å; V82-A85 PolarHBondContact O-N 2.91Å; A85-E88 WeakPolarHBondContact O-CB 3.47Å; A85-E88 PolarHBondContact O-N 2.71Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 3.49Å
86W90.6Very high86.5Confident0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-66.9-43.2176.2-173.212.6000111.4K58 H62 G63 I65 F69 V82 K84 E88 L89K58-W86 HydrophobicContact CB-CD2 3.57Å; K58-W86 HydrophobicContact CB-CE3 3.72Å; K58-W86 HydrophobicContact CB-CG 4.24Å; K58-W86 HydrophobicContact CB-CH2 3.88Å; K58-W86 HydrophobicContact CB-CZ2 3.74Å; K58-W86 HydrophobicContact CB-CZ3 3.88Å; K58-W86 HydrophobicContact CD-CD2 4.01Å; K58-W86 HydrophobicContact CD-CE3 3.3Å; K58-W86 HydrophobicContact CD-CH2 4.17Å; K58-W86 HydrophobicContact CD-CZ3 3.41Å; K58-W86 VanDerWaalsContact CD-CZ3 3.41Å; K58-W86 HydrophobicContact CG-CD2 4.45Å; K58-W86 HydrophobicContact CG-CE3 4.16Å; K58-W86 HydrophobicContact CG-CZ3 4.22Å; H62-W86 HydrophobicContact CB-CH2 3.93Å; H62-W86 HydrophobicContact CB-CZ2 3.82Å; G63-W86 WeakPolarHBondContact O-CZ2 3.35Å; G63-W86 PolarHBondContact O-NE1 2.96Å; I65-W86 HydrophobicContact CB-CD2 3.72Å; I65-W86 HydrophobicContact CB-CE3 3.9Å; I65-W86 HydrophobicContact CB-CG 4.13Å; I65-W86 HydrophobicContact CB-CH2 4.35Å; I65-W86 HydrophobicContact CB-CZ2 4.16Å; I65-W86 HydrophobicContact CB-CZ3 4.21Å; I65-W86 HydrophobicContact CD1-CD2 4.14Å; I65-W86 HydrophobicContact CD1-CE3 3.61Å; I65-W86 HydrophobicContact CD1-CZ3 4.08Å; I65-W86 HydrophobicContact CG1-CD2 4.06Å; I65-W86 HydrophobicContact CG1-CE3 3.68Å; I65-W86 HydrophobicContact CG1-CH2 4.27Å; I65-W86 HydrophobicContact CG1-CZ3 3.79Å; F69-W86 HydrophobicContact CB-CH2 4.43Å; F69-W86 HydrophobicContact CB-CZ3 3.91Å; F69-W86 HydrophobicContact CD1-CH2 4.22Å; F69-W86 HydrophobicContact CD1-CZ3 4.16Å; F69-W86 AromaticContact CD2-CH2 3.9Å; F69-W86 HydrophobicContact CD2-CH2 3.9Å; F69-W86 HydrophobicContact CD2-CZ3 4.25Å; F69-W86 HydrophobicContact CE1-CH2 4.47Å; F69-W86 HydrophobicContact CE2-CH2 4.17Å; F69-W86 AromaticContact CG-CH2 3.93Å; F69-W86 HydrophobicContact CG-CH2 3.93Å; F69-W86 AromaticContact CG-CZ3 3.85Å; F69-W86 HydrophobicContact CG-CZ3 3.85Å; F69-W86 HydrophobicContact CZ-CH2 4.44Å; V82-W86 WeakPolarHBondContact O-CB 3.48Å; V82-W86 PolarHBondContact O-N 3.01Å; K84-W86 VanDerWaalsContact C-N 3.26Å; K84-W86 PolarHBondContact O-N 3.3Å; W86-E88 PolarHBondContact O-N 3.35Å; W86-L89 VanDerWaalsContact O-CB 3.3Å; W86-L89 WeakPolarHBondContact O-CB 3.29Å; W86-L89 PolarHBondContact O-N 2.77Å
87R91Very high87.3Confident113 Ų11357.8 Ų57.843%0.42630%0.296SS..Hα-helixtrans-62.4-32173.9-162.7175.1-91142-16.2112.3I65 D70 N83 K84 L89 G90I65-R87 HydrophobicContact CG2-CB 3.83Å; I65-R87 HydrophobicContact CG2-CG 3.94Å; D70-R87 IonicContact OD1-NH2 3.61Å; D70-R87 IonicContact OD2-CZ 3.07Å; D70-R87 IonicContact OD2-NH1 3.49Å; D70-R87 IonicContact OD2-NH2 3.41Å; D70-R87 PolarHBondContact OD2-NH2 2.76Å; N83-R87 VanDerWaalsContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CB 3.36Å; N83-R87 PolarHBondContact O-N 3.38Å; K84-R87 PolarHBondContact O-N 2.85Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.79Å; R87-G90 PolarHBondContact O-N 2.89Å
88E93.1Very high88.4Confident144 Ų14452.6 Ų52.667%0.67327%0.269SS*.Hα-helixtrans-70.1-20.3173.8-71.9174.1-171.600113.6K84 A85 W86 G90K84-E88 WeakPolarHBondContact CE-OE1 3.45Å; K84-E88 WeakPolarHBondContact O-CG 3.44Å; K84-E88 PolarHBondContact O-N 3.47Å; A85-E88 WeakPolarHBondContact O-CB 3.47Å; A85-E88 PolarHBondContact O-N 2.71Å; W86-E88 PolarHBondContact O-N 3.35Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89L92.3Very high89.3Confident46 Ų4652.1 Ų52.124%0.24127%0.266CS..Hα-helixtrans-69.8-29.2173.2-59178.1000111.9L56 Q59 A85 W86 R87 S91 L92L56-L89 HydrophobicContact CD2-CD1 4.01Å; L56-L89 HydrophobicContact CD2-CD2 4.09Å; L56-L89 HydrophobicContact CG-CD1 4.42Å; Q59-L89 HydrophobicContact CB-CD1 3.73Å; Q59-L89 HydrophobicContact CG-CD1 4.14Å; A85-L89 WeakPolarHBondContact O-CG 3.47Å; A85-L89 PolarHBondContact O-N 3.49Å; W86-L89 VanDerWaalsContact O-CB 3.3Å; W86-L89 WeakPolarHBondContact O-CB 3.29Å; W86-L89 PolarHBondContact O-N 2.77Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.79Å; L89-S91 PolarHBondContact O-N 3.3Å; L89-L92 HydrophobicContact CB-CB 4.27Å; L89-L92 HydrophobicContact CB-CD2 4.44Å; L89-L92 HydrophobicContact CD2-CD2 4.14Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 3.36Å
90G91.6Very high90.1Very high21 Ų2153.7 Ų53.722%0.21628%0.277CS..THydrogen-bonded Turntrans57.5-130.618000000112.9Q59 R87 E88 L92Q59-G90 PolarHBondContact NE2-O 2.92Å; R87-G90 PolarHBondContact O-N 2.89Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 2.79Å
91S91.7Very high90.7Very high106 Ų10651 Ų5174%0.74126%0.262SS*.THydrogen-bonded Turntrans-85.626.5-178.353.90000114.1L89 S93L89-S91 PolarHBondContact O-N 3.3Å; S91-S93 PolarHBondContact O-N 2.85Å
92L91.4Very high91.1Very high43 Ų4348.3 Ų48.323%0.22525%0.248CC..  trans-52.9126.2174.9-168.470.4000109.7L56 Q59 L89 G90 E96 A97L56-L92 HydrophobicContact CD2-CD2 3.99Å; Q59-L92 HydrophobicContact CG-CB 4.34Å; Q59-L92 PolarHBondContact NE2-O 2.8Å; L89-L92 HydrophobicContact CB-CB 4.27Å; L89-L92 HydrophobicContact CB-CD2 4.44Å; L89-L92 HydrophobicContact CD2-CD2 4.14Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 3.36Å; G90-L92 PolarHBondContact O-N 2.79Å; L92-E96 HydrophobicContact CD1-CB 3.55Å; L92-E96 HydrophobicContact CD1-CG 4.42Å; L92-E96 HydrophobicContact CG-CB 3.88Å; L92-A97 HydrophobicContact CD2-CB 3.89Å; L92-A97 HydrophobicContact CG-CB 4.38Å
93S92.2Very high91.5Very high50 Ų5050.8 Ų50.835%0.3526%0.259SS..  trans-67.5157.8-178.867.30000111.2S91 D95 E96 A97S91-S93 PolarHBondContact O-N 2.85Å; S93-D95 PolarHBondContact O-N 2.88Å; S93-E96 WeakPolarHBondContact CB-OE2 3.45Å; S93-E96 PolarHBondContact N-OE2 3.31Å; S93-E96 PolarHBondContact O-N 3.31Å; S93-E96 WeakPolarHBondContact OG-CB 3.49Å; S93-E96 VanDerWaalsContact OG-CD 3.23Å; S93-E96 VanDerWaalsContact OG-CG 3.23Å; S93-E96 WeakPolarHBondContact OG-CG 3.38Å; S93-E96 PolarHBondContact OG-N 3.24Å; S93-E96 PolarHBondContact OG-OE2 2.82Å; S93-A97 WeakPolarHBondContact O-CB 3.48Å; S93-A97 PolarHBondContact O-N 2.92Å
94R90.1Very high91.8Very high134 Ų13451.2 Ų51.251%0.50626%0.261SS..Hα-helixtrans-53.3-42.1175.2-178.5176.9173113.1-6.7111.7V60 A97 M98V60-R94 HydrophobicContact CG1-CG 4.21Å; V60-R94 PolarHBondContact O-NH1 3.12Å; R94-A97 PolarHBondContact O-N 3.12Å; R94-M98 HydrophobicContact CG-CE 3.97Å; R94-M98 VanDerWaalsContact NE-CE 3.33Å; R94-M98 VanDerWaalsContact O-CG 3.32Å; R94-M98 WeakPolarHBondContact O-CG 3.32Å; R94-M98 PolarHBondContact O-N 2.93Å
95D91.7Very high91.9Very high82 Ų8245.2 Ų45.244%0.43924%0.235SC..Hα-helixtrans-68.6-43.7-178.9-69.7-3.2000112V12 L23 S93 A97 M98 A99V12-D95 HydrophobicContact CG2-CB 3.99Å; L23-D95 HydrophobicContact CD2-CB 3.61Å; L23-D95 WeakPolarHBondContact CD2-O 3.35Å; S93-D95 PolarHBondContact O-N 2.88Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 2.99Å; D95-M98 PolarHBondContact O-N 3.3Å; D95-A99 WeakPolarHBondContact O-CB 3.2Å; D95-A99 PolarHBondContact O-N 3.45Å
96E91.7Very high91.9Very high83 Ų8346.4 Ų46.439%0.38824%0.239SC..Hα-helixtrans-65.3-37.2175.8-68.9163.214100111.6L92 S93 A99 S100L92-E96 HydrophobicContact CD1-CB 3.55Å; L92-E96 HydrophobicContact CD1-CG 4.42Å; L92-E96 HydrophobicContact CG-CB 3.88Å; S93-E96 WeakPolarHBondContact CB-OE2 3.45Å; S93-E96 PolarHBondContact N-OE2 3.31Å; S93-E96 PolarHBondContact O-N 3.31Å; S93-E96 WeakPolarHBondContact OG-CB 3.49Å; S93-E96 VanDerWaalsContact OG-CD 3.23Å; S93-E96 VanDerWaalsContact OG-CG 3.23Å; S93-E96 WeakPolarHBondContact OG-CG 3.38Å; S93-E96 PolarHBondContact OG-N 3.24Å; S93-E96 PolarHBondContact OG-OE2 2.82Å; E96-A99 PolarHBondContact O-N 3.1Å; E96-S100 VanDerWaalsContact O-CB 3.25Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.05Å; E96-S100 PolarHBondContact O-OG 3.15Å
97A91.1Very high92Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-65.1-43.7175.200000111.7L56 Q59 V60 L92 S93 R94 D95 S100 F101L56-A97 HydrophobicContact CD2-CB 4.25Å; Q59-A97 HydrophobicContact CB-CB 4.09Å; Q59-A97 HydrophobicContact CG-CB 3.84Å; V60-A97 HydrophobicContact CG2-CB 3.65Å; L92-A97 HydrophobicContact CD2-CB 3.89Å; L92-A97 HydrophobicContact CG-CB 4.38Å; S93-A97 WeakPolarHBondContact O-CB 3.48Å; S93-A97 PolarHBondContact O-N 2.92Å; R94-A97 PolarHBondContact O-N 3.12Å; D95-A97 VanDerWaalsContact C-N 3.32Å; D95-A97 PolarHBondContact O-N 2.99Å; A97-S100 PolarHBondContact O-N 3.04Å; A97-F101 WeakPolarHBondContact O-CB 3.33Å; A97-F101 PolarHBondContact O-N 2.85Å
98M91.7Very high91.9Very high6 Ų649.3 Ų49.33%0.0325%0.252CS..Hα-helixtrans-60.1-46.1172.7-75.1-177177.800111.5L23 Y27 V60 R94 D95 F101 V102L23-M98 HydrophobicContact CD1-CB 3.94Å; L23-M98 HydrophobicContact CD2-CB 4.16Å; L23-M98 HydrophobicContact CD2-SD 4.46Å; L23-M98 HydrophobicContact CG-CB 3.92Å; L23-M98 HydrophobicContact CG-SD 4.3Å; Y27-M98 HydrophobicContact CD1-CE 4Å; Y27-M98 HydrophobicContact CD1-CG 4.04Å; Y27-M98 HydrophobicContact CD1-SD 4.28Å; Y27-M98 HydrophobicContact CD2-CB 3.99Å; Y27-M98 HydrophobicContact CD2-CG 3.83Å; Y27-M98 HydrophobicContact CE1-CE 4.33Å; Y27-M98 HydrophobicContact CE1-CG 4.48Å; Y27-M98 HydrophobicContact CE2-CG 4.3Å; Y27-M98 HydrophobicContact CG-CB 4.09Å; Y27-M98 HydrophobicContact CG-CG 3.69Å; Y27-M98 HydrophobicContact CG-SD 4.23Å; V60-M98 HydrophobicContact CG1-CE 3.55Å; V60-M98 HydrophobicContact CG1-CG 4.05Å; V60-M98 HydrophobicContact CG2-CB 4.49Å; V60-M98 HydrophobicContact CG2-CG 3.7Å; R94-M98 HydrophobicContact CG-CE 3.97Å; R94-M98 VanDerWaalsContact NE-CE 3.33Å; R94-M98 VanDerWaalsContact O-CG 3.32Å; R94-M98 WeakPolarHBondContact O-CG 3.32Å; R94-M98 PolarHBondContact O-N 2.93Å; D95-M98 PolarHBondContact O-N 3.3Å; M98-F101 WeakPolarHBondContact O-CB 3.48Å; M98-F101 PolarHBondContact O-N 3.36Å; M98-V102 VanDerWaalsContact O-CG2 3.3Å; M98-V102 WeakPolarHBondContact O-CG2 3.49Å; M98-V102 PolarHBondContact O-N 3.27Å
99A92.9Very high91.6Very high0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-64.3-45.8-178.600000111E11 I15 L23 D95 E96 F101 V102 F103E11-A99 HydrophobicContact CB-CB 3.93Å; I15-A99 HydrophobicContact CG1-CB 3.93Å; L23-A99 HydrophobicContact CD1-CB 3.85Å; D95-A99 WeakPolarHBondContact O-CB 3.2Å; D95-A99 PolarHBondContact O-N 3.45Å; E96-A99 PolarHBondContact O-N 3.1Å; A99-F101 VanDerWaalsContact C-N 3.3Å; A99-F101 PolarHBondContact O-N 3.3Å; A99-V102 PolarHBondContact O-N 2.96Å; A99-F103 HydrophobicContact CB-CE2 4.45Å; A99-F103 WeakPolarHBondContact O-CD2 3.35Å; A99-F103 PolarHBondContact O-N 3.26Å
100S93.9Very high91.2Very high34 Ų3445.4 Ų45.424%0.23824%0.242CC..Hα-helixtrans-58.8-41174.9-67.60000111.9E96 A97 L104E96-S100 VanDerWaalsContact O-CB 3.25Å; E96-S100 WeakPolarHBondContact O-CB 3.45Å; E96-S100 PolarHBondContact O-N 3.05Å; E96-S100 PolarHBondContact O-OG 3.15Å; A97-S100 PolarHBondContact O-N 3.04Å; S100-L104 VanDerWaalsContact O-CB 3.23Å; S100-L104 WeakPolarHBondContact O-CB 3.45Å; S100-L104 PolarHBondContact O-N 3.48Å
101F93Very high90.9Very high3 Ų348.3 Ų48.31%0.01326%0.258CS..Hα-helixtrans-62.6-49176.7-174-81.6000111Y27 A30 V31 L53 L56 A97 M98 A99 F103 L104 V105Y27-F101 HydrophobicContact CD2-CB 4.04Å; Y27-F101 AromaticContact CD2-CD1 3.83Å; Y27-F101 HydrophobicContact CD2-CD1 3.83Å; Y27-F101 HydrophobicContact CD2-CG 4.04Å; Y27-F101 HydrophobicContact CE2-CB 3.91Å; Y27-F101 AromaticContact CE2-CD1 3.75Å; Y27-F101 HydrophobicContact CE2-CD1 3.75Å; Y27-F101 HydrophobicContact CE2-CD2 4.15Å; Y27-F101 HydrophobicContact CE2-CE1 4.31Å; Y27-F101 AromaticContact CE2-CG 3.67Å; Y27-F101 HydrophobicContact CE2-CG 3.67Å; A30-F101 HydrophobicContact CB-CD1 3.89Å; A30-F101 HydrophobicContact CB-CE1 3.78Å; V31-F101 HydrophobicContact CG2-CD1 4.36Å; V31-F101 HydrophobicContact CG2-CE1 3.65Å; V31-F101 HydrophobicContact CG2-CZ 3.87Å; L53-F101 HydrophobicContact CB-CD2 4.48Å; L53-F101 HydrophobicContact CB-CE2 4Å; L53-F101 HydrophobicContact CD2-CD1 4.46Å; L53-F101 HydrophobicContact CD2-CD2 3.76Å; L53-F101 HydrophobicContact CD2-CE1 4.38Å; L53-F101 HydrophobicContact CD2-CE2 3.68Å; L53-F101 HydrophobicContact CD2-CG 4.16Å; L53-F101 HydrophobicContact CD2-CZ 4Å; L53-F101 HydrophobicContact CG-CE2 4.45Å; L53-F101 WeakPolarHBondContact O-CE2 3.36Å; L56-F101 HydrophobicContact CB-CB 4.3Å; L56-F101 HydrophobicContact CB-CD2 4.07Å; L56-F101 HydrophobicContact CD1-CB 4.34Å; A97-F101 WeakPolarHBondContact O-CB 3.33Å; A97-F101 PolarHBondContact O-N 2.85Å; M98-F101 WeakPolarHBondContact O-CB 3.48Å; M98-F101 PolarHBondContact O-N 3.36Å; A99-F101 VanDerWaalsContact C-N 3.3Å; A99-F101 PolarHBondContact O-N 3.3Å; F101-F103 PolarHBondContact O-N 3.39Å; F101-L104 PolarHBondContact O-N 2.91Å; F101-V105 HydrophobicContact CD1-CG2 3.94Å; F101-V105 HydrophobicContact CE1-CG2 3.6Å; F101-V105 HydrophobicContact CZ-CG2 4.17Å; F101-V105 WeakPolarHBondContact O-CG2 3.42Å; F101-V105 PolarHBondContact O-N 3.32Å
102V93Very high90.7Very high0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-61.4-45.8179.9176.60000111.2I15 F19 C26 A30 M98 A99 L104 V105 D106 F112I15-V102 HydrophobicContact CD1-CB 3.76Å; I15-V102 HydrophobicContact CD1-CG1 3.63Å; F19-V102 HydrophobicContact CD2-CG1 4.09Å; F19-V102 HydrophobicContact CE2-CG1 3.71Å; F19-V102 HydrophobicContact CZ-CG1 3.99Å; C26-V102 HydrophobicContact CB-CG1 4.15Å; C26-V102 HydrophobicContact CB-CG2 3.96Å; A30-V102 HydrophobicContact CB-CG2 4.07Å; M98-V102 VanDerWaalsContact O-CG2 3.3Å; M98-V102 WeakPolarHBondContact O-CG2 3.49Å; M98-V102 PolarHBondContact O-N 3.27Å; A99-V102 PolarHBondContact O-N 2.96Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.96Å; V102-V105 PolarHBondContact O-N 3.48Å; V102-D106 WeakPolarHBondContact O-CB 3.37Å; V102-D106 PolarHBondContact O-N 2.88Å; V102-F112 HydrophobicContact CG1-CE1 3.94Å; V102-F112 HydrophobicContact CG1-CZ 4.33Å
103F93.9Very high90.5Very high56 Ų5645.4 Ų45.425%0.24623%0.23CC..Hα-helixtrans-65.6-34.2176.8-73.3-54000112.8L14 I15 F19 A99 F101 R107L14-F103 HydrophobicContact CB-CZ 4Å; L14-F103 HydrophobicContact CD2-CE1 4.21Å; L14-F103 HydrophobicContact CD2-CE2 4.28Å; L14-F103 HydrophobicContact CD2-CZ 3.61Å; L14-F103 HydrophobicContact CG-CE1 4.36Å; L14-F103 HydrophobicContact CG-CZ 3.75Å; I15-F103 HydrophobicContact CD1-CD1 4.03Å; I15-F103 HydrophobicContact CD1-CD2 3.85Å; I15-F103 HydrophobicContact CD1-CE1 3.66Å; I15-F103 HydrophobicContact CD1-CE2 3.46Å; I15-F103 VanDerWaalsContact CD1-CE2 3.46Å; I15-F103 HydrophobicContact CD1-CG 4.1Å; I15-F103 HydrophobicContact CD1-CZ 3.35Å; I15-F103 HydrophobicContact CG1-CD2 4.49Å; I15-F103 HydrophobicContact CG1-CE2 3.75Å; I15-F103 HydrophobicContact CG1-CZ 3.75Å; F19-F103 HydrophobicContact CE2-CD1 4.29Å; F19-F103 HydrophobicContact CE2-CE1 4.06Å; A99-F103 HydrophobicContact CB-CE2 4.45Å; A99-F103 WeakPolarHBondContact O-CD2 3.35Å; A99-F103 PolarHBondContact O-N 3.26Å; F101-F103 PolarHBondContact O-N 3.39Å; F103-R107 WeakPolarHBondContact O-CB 3.49Å; F103-R107 PolarHBondContact O-N 3.43Å
104L92.7Very high90.2Very high13 Ų1344.8 Ų44.87%0.06823%0.231CC..Hα-helixtrans-66.7-46.9175.9-176.255000110.7D49 K52 L53 L56 S100 F101 V102 D106 R107 V108D49-L104 HydrophobicContact CB-CD1 4.33Å; K52-L104 HydrophobicContact CB-CD2 3.54Å; L53-L104 HydrophobicContact CD2-CB 3.95Å; L53-L104 HydrophobicContact CD2-CD2 3.67Å; L53-L104 HydrophobicContact CD2-CG 3.72Å; L53-L104 HydrophobicContact CG-CD2 3.62Å; L53-L104 HydrophobicContact CG-CG 3.95Å; L56-L104 HydrophobicContact CD1-CD2 4.18Å; S100-L104 VanDerWaalsContact O-CB 3.23Å; S100-L104 WeakPolarHBondContact O-CB 3.45Å; S100-L104 PolarHBondContact O-N 3.48Å; F101-L104 PolarHBondContact O-N 2.91Å; V102-L104 VanDerWaalsContact C-N 3.31Å; V102-L104 PolarHBondContact O-N 2.96Å; L104-D106 PolarHBondContact O-N 3.49Å; L104-R107 PolarHBondContact O-N 2.84Å; L104-V108 HydrophobicContact CD1-CG1 3.86Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 3.5Å
105V89.9Confident90Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-59.3-44.6175174.70000111.3A30 Y33 L53 F101 V102 R107 V108 C109 F112A30-V105 HydrophobicContact CB-CB 4.32Å; A30-V105 HydrophobicContact CB-CG1 4.41Å; A30-V105 HydrophobicContact CB-CG2 4.19Å; Y33-V105 HydrophobicContact CD1-CG1 4.19Å; L53-V105 HydrophobicContact CD2-CG2 3.61Å; F101-V105 HydrophobicContact CD1-CG2 3.94Å; F101-V105 HydrophobicContact CE1-CG2 3.6Å; F101-V105 HydrophobicContact CZ-CG2 4.17Å; F101-V105 WeakPolarHBondContact O-CG2 3.42Å; F101-V105 PolarHBondContact O-N 3.32Å; V102-V105 PolarHBondContact O-N 3.48Å; V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.42Å; V105-V108 PolarHBondContact O-N 2.88Å; V105-C109 HydrophobicContact CG1-CB 4.44Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 VanDerWaalsContact O-CB 3.29Å; V105-C109 WeakPolarHBondContact O-CB 3.42Å; V105-C109 PolarHBondContact O-N 3.29Å; V105-F112 HydrophobicContact CB-CD1 4.41Å; V105-F112 HydrophobicContact CB-CE1 4.43Å; V105-F112 HydrophobicContact CG1-CB 4.19Å; V105-F112 HydrophobicContact CG1-CD1 3.88Å; V105-F112 HydrophobicContact CG1-CD2 3.9Å; V105-F112 HydrophobicContact CG1-CE1 4.15Å; V105-F112 HydrophobicContact CG1-CE2 4.21Å; V105-F112 HydrophobicContact CG1-CG 3.71Å; V105-F112 HydrophobicContact CG1-CZ 4.29Å
106D91Very high89.8Confident41 Ų4136.5 Ų36.522%0.21920%0.195CC..Hα-helixtrans-59.5-41.4176.5-173.357000112.6F19 V102 L104 F112F19-D106 HydrophobicContact CE1-CB 4.33Å; F19-D106 HydrophobicContact CZ-CB 3.85Å; V102-D106 WeakPolarHBondContact O-CB 3.37Å; V102-D106 PolarHBondContact O-N 2.88Å; L104-D106 PolarHBondContact O-N 3.49Å; D106-F112 HydrophobicContact CB-CD1 3.86Å; D106-F112 HydrophobicContact CB-CE1 4.38Å
107R91.5Very high89.6Confident149 Ų14935.1 Ų35.156%0.56220%0.198SC*.Hα-helixtrans-68.8-44.6178.7-171.1-170.676.3-170.46.6112.5D49 F103 L104 V105D49-R107 IonicContact OD1-CZ 3.85Å; D49-R107 IonicContact OD1-NH2 3.66Å; D49-R107 PolarHBondContact OD1-NH2 3.44Å; D49-R107 IonicContact OD2-CZ 3.98Å; D49-R107 IonicContact OD2-NH2 3.51Å; D49-R107 PolarHBondContact OD2-NH2 2.97Å; F103-R107 WeakPolarHBondContact O-CB 3.49Å; F103-R107 PolarHBondContact O-N 3.43Å; L104-R107 PolarHBondContact O-N 2.84Å; V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.42Å
108V88.8Confident89.3Confident24 Ų2440.2 Ų40.215%0.14523%0.225CC..Hα-helixtrans-88.3-19.9-172.6-59.40000113V45 D49 L53 L104 V105V45-V108 HydrophobicContact CG1-CB 4.22Å; V45-V108 HydrophobicContact CG1-CG2 4.09Å; V45-V108 HydrophobicContact CG2-CB 4.09Å; V45-V108 HydrophobicContact CG2-CG2 3.88Å; D49-V108 HydrophobicContact CB-CG1 3.9Å; D49-V108 WeakPolarHBondContact OD2-CG1 3.36Å; L53-V108 HydrophobicContact CD1-CG2 4.38Å; L104-V108 HydrophobicContact CD1-CG1 3.86Å; L104-V108 WeakPolarHBondContact O-CG2 3.47Å; L104-V108 PolarHBondContact O-N 3.5Å; V105-V108 PolarHBondContact O-N 2.88Å
109C87.8Confident88.8Confident6 Ų641.7 Ų41.74%0.04123%0.231CC..  trans-127.679.9178.8-51.40000110.6Y33 H38 V105 P111 F112Y33-C109 HydrophobicContact CD1-CB 4.43Å; Y33-C109 HydrophobicContact CE1-CB 3.66Å; H38-C109 PolarHBondContact NE2-SG 3.05Å; V105-C109 HydrophobicContact CG1-CB 4.44Å; V105-C109 WeakPolarHBondContact O-CA 3.36Å; V105-C109 VanDerWaalsContact O-CB 3.29Å; V105-C109 WeakPolarHBondContact O-CB 3.42Å; V105-C109 PolarHBondContact O-N 3.29Å; C109-P111 VanDerWaalsContact C-N 3.32Å; C109-P111 WeakPolarHBondContact O-CD 3.43Å; C109-F112 WeakPolarHBondContact O-CB 3.26Å; C109-F112 PolarHBondContact O-N 3.43Å
110P83.5Confident88.3Confident102 Ų10245.1 Ų45.166%0.66225%0.246SC*.THydrogen-bonded Turntrans-52.1-29.7-174.4-27.934.8000117.8F112P110-F112 PolarHBondContact O-N 3.07Å
111P85.1Confident87.8Confident83 Ų8346.3 Ų46.354%0.53926%0.258SS..THydrogen-bonded Turntrans-72.2-9.2176-10.424.9000114.1Y33 C109 K113 G114 F115Y33-P111 WeakPolarHBondContact OH-CB 3.38Å; C109-P111 VanDerWaalsContact C-N 3.32Å; C109-P111 WeakPolarHBondContact O-CD 3.43Å; P111-K113 PolarHBondContact O-N 3.15Å; P111-G114 PolarHBondContact O-N 3.23Å; P111-G114 VanDerWaalsContact O-N 3.13Å; P111-F115 PolarHBondContact O-N 2.63Å
112F87.9Confident87.1Confident0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-57.9-42.4-177.7175-119.4000113.5F19 A30 Y33 V102 V105 D106 C109 P110 G114 F115 I116F19-F112 HydrophobicContact CE1-CD1 4.24Å; F19-F112 HydrophobicContact CE1-CE1 4.01Å; F19-F112 HydrophobicContact CZ-CE1 4.39Å; A30-F112 VanDerWaalsContact CA-CZ 3.48Å; A30-F112 HydrophobicContact CB-CE1 4.3Å; A30-F112 HydrophobicContact CB-CE2 3.95Å; A30-F112 HydrophobicContact CB-CZ 3.47Å; A30-F112 VanDerWaalsContact CB-CZ 3.47Å; Y33-F112 HydrophobicContact CD1-CB 4.09Å; Y33-F112 AromaticContact CD1-CD2 3.73Å; Y33-F112 HydrophobicContact CD1-CD2 3.73Å; Y33-F112 HydrophobicContact CD1-CG 4.29Å; Y33-F112 HydrophobicContact CD2-CD2 4.18Å; Y33-F112 HydrophobicContact CE1-CB 3.96Å; Y33-F112 HydrophobicContact CE1-CD2 4.42Å; Y33-F112 AromaticContact CG-CD2 3.61Å; Y33-F112 HydrophobicContact CG-CD2 3.61Å; Y33-F112 HydrophobicContact CG-CE2 4.34Å; V102-F112 HydrophobicContact CG1-CE1 3.94Å; V102-F112 HydrophobicContact CG1-CZ 4.33Å; V105-F112 HydrophobicContact CB-CD1 4.41Å; V105-F112 HydrophobicContact CB-CE1 4.43Å; V105-F112 HydrophobicContact CG1-CB 4.19Å; V105-F112 HydrophobicContact CG1-CD1 3.88Å; V105-F112 HydrophobicContact CG1-CD2 3.9Å; V105-F112 HydrophobicContact CG1-CE1 4.15Å; V105-F112 HydrophobicContact CG1-CE2 4.21Å; V105-F112 HydrophobicContact CG1-CG 3.71Å; V105-F112 HydrophobicContact CG1-CZ 4.29Å; D106-F112 HydrophobicContact CB-CD1 3.86Å; D106-F112 HydrophobicContact CB-CE1 4.38Å; C109-F112 WeakPolarHBondContact O-CB 3.26Å; C109-F112 PolarHBondContact O-N 3.43Å; P110-F112 PolarHBondContact O-N 3.07Å; F112-G114 VanDerWaalsContact C-N 3.27Å; F112-G114 PolarHBondContact O-N 2.67Å; F112-F115 HydrophobicContact CD2-CD1 4.19Å; F112-F115 HydrophobicContact CE2-CD1 4.28Å; F112-F115 WeakPolarHBondContact O-CB 3.47Å; F112-F115 PolarHBondContact O-N 2.94Å; F112-F115 VanDerWaalsContact O-N 3.12Å; F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CD2-CD1 4.46Å; F112-I116 HydrophobicContact CD2-CG1 4.4Å; F112-I116 HydrophobicContact CE1-CD1 3.55Å; F112-I116 HydrophobicContact CE1-CG1 4.45Å; F112-I116 HydrophobicContact CE2-CD1 3.65Å; F112-I116 HydrophobicContact CE2-CG1 3.8Å; F112-I116 HydrophobicContact CZ-CD1 3.16Å; F112-I116 HydrophobicContact CZ-CG1 3.88Å; F112-I116 PolarHBondContact O-N 3.27Å
113K87.2Confident86.1Confident88 Ų8851.8 Ų51.838%0.38329%0.285SS..Hα-helixtrans-60.3-38.7177.2-166.6169.2-178.5175.50112.6E18 F19 P111 A117E18-K113 IonicContact OE1-NZ 3.65Å; E18-K113 PolarHBondContact OE1-NZ 2.89Å; F19-K113 HydrophobicContact CE1-CG 4.38Å; P111-K113 PolarHBondContact O-N 3.15Å; K113-A117 WeakPolarHBondContact O-CB 3.43Å; K113-A117 PolarHBondContact O-N 2.64Å; K113-A117 VanDerWaalsContact O-N 3.08Å
114G85.6Confident85.4Confident36 Ų3653.4 Ų53.437%0.37130%0.296SS..Hα-helixtrans-65.2-44.5173.600000111.6P111 F112 I116 A117 D118P111-G114 PolarHBondContact O-N 3.23Å; P111-G114 VanDerWaalsContact O-N 3.13Å; F112-G114 VanDerWaalsContact C-N 3.27Å; F112-G114 PolarHBondContact O-N 2.67Å; G114-I116 PolarHBondContact O-N 2.79Å; G114-A117 PolarHBondContact O-N 3.07Å; G114-A117 VanDerWaalsContact O-N 3.14Å; G114-D118 PolarHBondContact O-N 3.15Å
115F85.8Confident84.6Confident40 Ų4055.7 Ų55.718%0.17532%0.317CS..Hα-helixtrans-56.7-44.9175.6169.1-96.9000112.8L29 Y33 P111 F112 D118 K119L29-F115 HydrophobicContact CB-CE1 4.19Å; L29-F115 HydrophobicContact CD2-CE1 4.11Å; L29-F115 HydrophobicContact CD2-CZ 4.44Å; Y33-F115 HydrophobicContact CD2-CB 3.67Å; Y33-F115 AromaticContact CD2-CD1 3.6Å; Y33-F115 HydrophobicContact CD2-CD1 3.6Å; Y33-F115 AromaticContact CD2-CD2 3.77Å; Y33-F115 HydrophobicContact CD2-CD2 3.77Å; Y33-F115 HydrophobicContact CD2-CE1 4.1Å; Y33-F115 HydrophobicContact CD2-CE2 4.23Å; Y33-F115 AromaticContact CD2-CG 3.4Å; Y33-F115 HydrophobicContact CD2-CG 3.4Å; Y33-F115 VanDerWaalsContact CD2-CG 3.4Å; Y33-F115 HydrophobicContact CD2-CZ 4.37Å; Y33-F115 HydrophobicContact CE2-CB 3.74Å; Y33-F115 HydrophobicContact CE2-CD2 4.31Å; Y33-F115 AromaticContact CE2-CG 3.97Å; Y33-F115 HydrophobicContact CE2-CG 3.97Å; Y33-F115 HydrophobicContact CG-CD1 4.12Å; Y33-F115 HydrophobicContact CG-CE1 4.41Å; Y33-F115 HydrophobicContact CG-CG 4.36Å; P111-F115 PolarHBondContact O-N 2.63Å; F112-F115 HydrophobicContact CD2-CD1 4.19Å; F112-F115 HydrophobicContact CE2-CD1 4.28Å; F112-F115 WeakPolarHBondContact O-CB 3.47Å; F112-F115 PolarHBondContact O-N 2.94Å; F112-F115 VanDerWaalsContact O-N 3.12Å; F115-D118 PolarHBondContact O-N 2.88Å; F115-K119 HydrophobicContact CE1-CG 4.22Å; F115-K119 HydrophobicContact CE2-CD 4.49Å; F115-K119 VanDerWaalsContact CE2-CE 3.4Å; F115-K119 HydrophobicContact CE2-CG 4.26Å; F115-K119 HydrophobicContact CZ-CD 4.37Å; F115-K119 HydrophobicContact CZ-CG 4.12Å; F115-K119 VanDerWaalsContact O-CG 3.23Å; F115-K119 WeakPolarHBondContact O-CG 3.22Å; F115-K119 PolarHBondContact O-N 3.21Å
116I88.2Confident83.7Confident2 Ų257.6 Ų57.61%0.0133%0.326CS..Hα-helixtrans-63.7-46.4174.9-72179.9000110.9F19 H21 L29 F112 G114 D118 K119 K120F19-I116 HydrophobicContact CB-CD1 4.33Å; F19-I116 HydrophobicContact CB-CG2 4.25Å; F19-I116 HydrophobicContact CD1-CD1 3.5Å; F19-I116 VanDerWaalsContact CD1-CD1 3.5Å; F19-I116 HydrophobicContact CD1-CG2 4.48Å; F19-I116 HydrophobicContact CE1-CD1 4.09Å; F19-I116 HydrophobicContact CG-CD1 4.08Å; H21-I116 VanDerWaalsContact CD2-CG2 3.47Å; H21-I116 WeakPolarHBondContact CD2-CG2 3.18Å; L29-I116 HydrophobicContact CB-CG1 4.35Å; L29-I116 HydrophobicContact CD1-CG1 4.28Å; F112-I116 HydrophobicContact CD1-CD1 4.33Å; F112-I116 HydrophobicContact CD2-CD1 4.46Å; F112-I116 HydrophobicContact CD2-CG1 4.4Å; F112-I116 HydrophobicContact CE1-CD1 3.55Å; F112-I116 HydrophobicContact CE1-CG1 4.45Å; F112-I116 HydrophobicContact CE2-CD1 3.65Å; F112-I116 HydrophobicContact CE2-CG1 3.8Å; F112-I116 HydrophobicContact CZ-CD1 3.16Å; F112-I116 HydrophobicContact CZ-CG1 3.88Å; F112-I116 PolarHBondContact O-N 3.27Å; G114-I116 PolarHBondContact O-N 2.79Å; I116-D118 VanDerWaalsContact C-N 3.27Å; I116-D118 PolarHBondContact O-N 2.86Å; I116-K119 PolarHBondContact O-N 2.85Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 PolarHBondContact O-N 2.8Å
117A87Confident82.9Confident55 Ų5559.9 Ų59.946%0.45534%0.338SS..Hα-helixtrans-59.8-39.1-18000000112.1K113 G114 K120 A121K113-A117 WeakPolarHBondContact O-CB 3.43Å; K113-A117 PolarHBondContact O-N 2.64Å; K113-A117 VanDerWaalsContact O-N 3.08Å; G114-A117 PolarHBondContact O-N 3.07Å; G114-A117 VanDerWaalsContact O-N 3.14Å; A117-K120 WeakPolarHBondContact O-CB 3.49Å; A117-K120 PolarHBondContact O-N 2.79Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.81Å
118D84.4Confident82.1Confident106 Ų10660.8 Ų60.857%0.56735%0.346SS*.Hα-helixtrans-66.3-46.5175.4-70.8-16.5000111.1G114 F115 I116 K120 A121 I122G114-D118 PolarHBondContact O-N 3.15Å; F115-D118 PolarHBondContact O-N 2.88Å; I116-D118 VanDerWaalsContact C-N 3.27Å; I116-D118 PolarHBondContact O-N 2.86Å; D118-K120 PolarHBondContact O-N 3.31Å; D118-A121 PolarHBondContact O-N 2.87Å; D118-A121 VanDerWaalsContact O-N 3.13Å; D118-I122 VanDerWaalsContact O-CG1 3.24Å; D118-I122 WeakPolarHBondContact O-CG1 3.48Å; D118-I122 PolarHBondContact O-N 2.73Å
119K82.5Confident80.9Confident37 Ų3765 Ų6516%0.16136%0.364CS..Hα-helixtrans-57.6-38.7174.2-70.9-77.3-170.2165.30111.6L29 F115 I116 K123 L434L29-K119 HydrophobicContact CD1-CB 4.39Å; L29-K119 HydrophobicContact CD2-CD 4.27Å; L29-K119 HydrophobicContact CD2-CG 4.12Å; F115-K119 HydrophobicContact CE1-CG 4.22Å; F115-K119 HydrophobicContact CE2-CD 4.49Å; F115-K119 VanDerWaalsContact CE2-CE 3.4Å; F115-K119 HydrophobicContact CE2-CG 4.26Å; F115-K119 HydrophobicContact CZ-CD 4.37Å; F115-K119 HydrophobicContact CZ-CG 4.12Å; F115-K119 VanDerWaalsContact O-CG 3.23Å; F115-K119 WeakPolarHBondContact O-CG 3.22Å; F115-K119 PolarHBondContact O-N 3.21Å; I116-K119 PolarHBondContact O-N 2.85Å; K119-K123 WeakPolarHBondContact O-CB 3.45Å; K119-K123 PolarHBondContact O-N 2.85Å; K119-L434 HydrophobicContact CD-CD1 3.49Å; K119-L434 VanDerWaalsContact CD-CD1 3.49Å; K119-L434 HydrophobicContact CD-CD2 3.8Å; K119-L434 HydrophobicContact CD-CG 4.3Å
120K81.7Confident79.3Confident72 Ų7271.5 Ų71.531%0.31339%0.392SS..Hα-helixtrans-66.3-44.7174.2-167.2179.7176.5173.70112.6H21 I116 A117 D118 I122 K123 D124H21-K120 VanDerWaalsContact NE2-CB 3.34Å; H21-K120 WeakPolarHBondContact NE2-CB 3.43Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 PolarHBondContact O-N 2.8Å; A117-K120 WeakPolarHBondContact O-CB 3.49Å; A117-K120 PolarHBondContact O-N 2.79Å; D118-K120 PolarHBondContact O-N 3.31Å; K120-I122 VanDerWaalsContact C-N 3.3Å; K120-I122 PolarHBondContact O-N 3.07Å; K120-K123 WeakPolarHBondContact O-CA 3.36Å; K120-K123 WeakPolarHBondContact O-CB 3.17Å; K120-K123 PolarHBondContact O-N 2.77Å; K120-D124 PolarHBondContact O-N 2.86Å
121A82.4Confident77.9Confident59 Ų5969 Ų6949%0.48838%0.38SS..Hα-helixtrans-62.5-41178.500000111.3A117 D118 K123 A125A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 2.81Å; D118-A121 PolarHBondContact O-N 2.87Å; D118-A121 VanDerWaalsContact O-N 3.13Å; A121-K123 VanDerWaalsContact C-N 3.28Å; A121-K123 PolarHBondContact O-N 2.96Å; A121-A125 VanDerWaalsContact O-CB 3.3Å; A121-A125 WeakPolarHBondContact O-CB 3.48Å; A121-A125 PolarHBondContact O-N 2.91Å
122I78.4Confident76Confident78 Ų7870.6 Ų70.640%0.439%0.39SS..Hα-helixtrans-62.7-39.9172.3-55.7163.7000109D118 K120 A125 E126 L434 W435D118-I122 VanDerWaalsContact O-CG1 3.24Å; D118-I122 WeakPolarHBondContact O-CG1 3.48Å; D118-I122 PolarHBondContact O-N 2.73Å; K120-I122 VanDerWaalsContact C-N 3.3Å; K120-I122 PolarHBondContact O-N 3.07Å; I122-A125 PolarHBondContact O-N 3.03Å; I122-E126 HydrophobicContact CG2-CG 4.38Å; I122-E126 WeakPolarHBondContact O-CB 3.48Å; I122-E126 PolarHBondContact O-N 3.43Å; I122-L434 HydrophobicContact CB-CD1 4.38Å; I122-L434 HydrophobicContact CG2-CD1 4.2Å; I122-W435 HydrophobicContact CB-CH2 3.74Å; I122-W435 HydrophobicContact CB-CZ2 4.43Å; I122-W435 HydrophobicContact CG2-CH2 3.5Å; I122-W435 VanDerWaalsContact CG2-CH2 3.5Å; I122-W435 HydrophobicContact CG2-CZ2 3.85Å; I122-W435 WeakPolarHBondContact O-CH2 3.43Å; I122-W435 WeakPolarHBondContact O-CZ2 3.28Å
123K73.3Confident74Confident41 Ų4179.1 Ų79.118%0.17843%0.43CS..Hα-helixtrans-56.7-53.2177.2-169.5166.4-178176.80112.4E25 K119 K120 A121 A125 E126 L127 W435E25-K123 IonicContact OE1-NZ 3.09Å; E25-K123 PolarHBondContact OE1-NZ 3.41Å; E25-K123 IonicContact OE2-NZ 3.54Å; E25-K123 PolarHBondContact OE2-NZ 2.88Å; K119-K123 WeakPolarHBondContact O-CB 3.45Å; K119-K123 PolarHBondContact O-N 2.85Å; K120-K123 WeakPolarHBondContact O-CA 3.36Å; K120-K123 WeakPolarHBondContact O-CB 3.17Å; K120-K123 PolarHBondContact O-N 2.77Å; A121-K123 VanDerWaalsContact C-N 3.28Å; A121-K123 PolarHBondContact O-N 2.96Å; K123-A125 VanDerWaalsContact C-N 3.34Å; K123-E126 PolarHBondContact O-N 2.8Å; K123-L127 HydrophobicContact CG-CD1 3.92Å; K123-L127 WeakPolarHBondContact O-CB 3.3Å; K123-L127 VanDerWaalsContact O-CG 3.31Å; K123-L127 WeakPolarHBondContact O-CG 3.18Å; K123-L127 PolarHBondContact O-N 2.84Å; K123-W435 HydrophobicContact CB-CD2 4.01Å; K123-W435 HydrophobicContact CB-CE3 3.42Å; K123-W435 VanDerWaalsContact CB-CE3 3.42Å; K123-W435 HydrophobicContact CB-CH2 3.74Å; K123-W435 HydrophobicContact CB-CZ2 4.24Å; K123-W435 HydrophobicContact CB-CZ3 3.2Å; K123-W435 HydrophobicContact CD-CD2 4.47Å; K123-W435 HydrophobicContact CD-CE3 3.82Å; K123-W435 HydrophobicContact CD-CZ3 4.31Å; K123-W435 HydrophobicContact CG-CD2 3.68Å; K123-W435 HydrophobicContact CG-CE3 3.33Å; K123-W435 HydrophobicContact CG-CG 4.32Å; K123-W435 HydrophobicContact CG-CH2 4.49Å; K123-W435 HydrophobicContact CG-CZ3 3.73Å; K123-W435 VanDerWaalsContact N-CZ3 3.32Å
124D77.9Confident71.8Confident89 Ų8981 Ų8148%0.47645%0.448SS..Hα-helixtrans-66.9-39.1-178.1-67.2-19.2000110.8K120 K128K120-D124 PolarHBondContact O-N 2.86Å; D124-K128 VanDerWaalsContact O-CB 3.25Å; D124-K128 WeakPolarHBondContact O-CB 3.29Å; D124-K128 PolarHBondContact O-N 3.25Å
125A76.2Confident69.5Low62 Ų6285.1 Ų85.151%0.51247%0.466SS..Hα-helixtrans-61.8-45.4176.100000111.7A121 I122 K123 K128 E129A121-A125 VanDerWaalsContact O-CB 3.3Å; A121-A125 WeakPolarHBondContact O-CB 3.48Å; A121-A125 PolarHBondContact O-N 2.91Å; I122-A125 PolarHBondContact O-N 3.03Å; K123-A125 VanDerWaalsContact C-N 3.34Å; A125-K128 PolarHBondContact O-N 2.84Å; A125-E129 PolarHBondContact O-N 3.18Å
126E71.5Confident67Low39 Ų3992.3 Ų92.318%0.18250%0.501CS..Hα-helixtrans-76.9-32.2-176-80.9-159.8-17800113.8I122 K123 K128 E129 F130 W435 R436I122-E126 HydrophobicContact CG2-CG 4.38Å; I122-E126 WeakPolarHBondContact O-CB 3.48Å; I122-E126 PolarHBondContact O-N 3.43Å; K123-E126 PolarHBondContact O-N 2.8Å; E126-K128 VanDerWaalsContact C-N 3.32Å; E126-E129 PolarHBondContact O-N 3.34Å; E126-F130 PolarHBondContact O-N 2.97Å; E126-W435 HydrophobicContact CB-CZ2 3.29Å; E126-W435 HydrophobicContact CG-CZ2 3.36Å; E126-W435 WeakPolarHBondContact OE2-CZ2 3.4Å; E126-W435 PolarHBondContact OE2-NE1 3.23Å; E126-R436 VanDerWaalsContact C-NH2 3.3Å; E126-R436 VanDerWaalsContact CG-NH1 3.26Å; E126-R436 PolarHBondContact O-NE 2.9Å; E126-R436 PolarHBondContact O-NH2 2.82Å; E126-R436 IonicContact OE1-NH1 3.97Å; E126-R436 PolarHBondContact OE1-NH1 3.07Å; E126-R436 WeakPolarHBondContact OE2-CD 3.43Å; E126-R436 VanDerWaalsContact OE2-CG 3.31Å; E126-R436 WeakPolarHBondContact OE2-CG 3.5Å; E126-R436 IonicContact OE2-CZ 2.95Å; E126-R436 IonicContact OE2-NE 3.53Å; E126-R436 PolarHBondContact OE2-NE 3.01Å; E126-R436 VanDerWaalsContact OE2-NE 3.07Å; E126-R436 IonicContact OE2-NH1 3.55Å; E126-R436 PolarHBondContact OE2-NH1 3.3Å
127L74Confident64.3Low90 Ų90100.5 Ų100.547%0.47154%0.539SS..Hα-helixtrans-66.7-35.8170.5-75171.2000111.3K123 E129 F130 A131K123-L127 HydrophobicContact CG-CD1 3.92Å; K123-L127 WeakPolarHBondContact O-CB 3.3Å; K123-L127 VanDerWaalsContact O-CG 3.31Å; K123-L127 WeakPolarHBondContact O-CG 3.18Å; K123-L127 PolarHBondContact O-N 2.84Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 2.73Å; L127-F130 PolarHBondContact O-N 3.45Å; L127-F130 VanDerWaalsContact O-N 3.15Å; L127-A131 PolarHBondContact O-N 2.93Å; L127-A131 VanDerWaalsContact O-N 3.07Å
128K75.1Confident61.7Low167 Ų167103.6 Ų103.673%0.72656%0.557SS**Hα-helixtrans-67.3-29.3177.1-163.4176.1-173.7-179.30112.7D124 A125 E126 F130 A131D124-K128 VanDerWaalsContact O-CB 3.25Å; D124-K128 WeakPolarHBondContact O-CB 3.29Å; D124-K128 PolarHBondContact O-N 3.25Å; A125-K128 PolarHBondContact O-N 2.84Å; E126-K128 VanDerWaalsContact C-N 3.32Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-A131 WeakPolarHBondContact O-CB 3.42Å; K128-A131 PolarHBondContact O-N 3.45Å
129E64.1Low59.5Low113 Ų113103 Ų10353%0.52857%0.566SS.*Hα-helixtrans-70.4-29.9172.2-163.9-178.617100112.5A125 E126 L127 Y321 R436A125-E129 PolarHBondContact O-N 3.18Å; E126-E129 PolarHBondContact O-N 3.34Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 PolarHBondContact O-N 2.73Å; E129-Y321 WeakPolarHBondContact OE1-CE1 3.5Å; E129-R436 IonicContact OE2-CZ 2.56Å; E129-R436 IonicContact OE2-NH1 3.99Å; E129-R436 IonicContact OE2-NH2 3.99Å; E129-R436 PolarHBondContact OE2-NH2 2.76Å
130F53.9Low57.2Low143 Ų143110.5 Ų110.563%0.62760%0.602SS**Hα-helixtrans-80.5-20.8174.8-155.5-93.7000113E126 L127 K128E126-F130 PolarHBondContact O-N 2.97Å; L127-F130 PolarHBondContact O-N 3.45Å; L127-F130 VanDerWaalsContact O-N 3.15Å; K128-F130 VanDerWaalsContact C-N 3.34Å
131A53.7Low55.4Low50 Ų50112.1 Ų112.141%0.41362%0.62SS.*SBendtrans-61.5123.1171.900000108L127 K128 Q133L127-A131 PolarHBondContact O-N 2.93Å; L127-A131 VanDerWaalsContact O-N 3.07Å; K128-A131 WeakPolarHBondContact O-CB 3.42Å; K128-A131 PolarHBondContact O-N 3.45Å; A131-Q133 PolarHBondContact O-N 2.85Å
132P45.5Very low53.5Low115 Ų115113.3 Ų113.375%0.74762%0.623SS**  trans-54.8122.3-17821.4-31.6000108.4V134P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 WeakPolarHBondContact O-CG2 3.37Å; P132-V134 PolarHBondContact O-N 3.46Å
133Q46.2Very low51.9Low180 Ų180112.6 Ų112.684%0.84163%0.625SS**  trans-60.793.1177.7-70.2-17910.500108.8A131 T135A131-Q133 PolarHBondContact O-N 2.85Å; Q133-T135 PolarHBondContact O-N 3.12Å
134V40.6Very low50.6Low126 Ų126116.9 Ų116.976%0.76465%0.649SS**  trans-7589.9165-164.20000105.7P132 E136P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 WeakPolarHBondContact O-CG2 3.37Å; P132-V134 PolarHBondContact O-N 3.46Å; V134-E136 PolarHBondContact O-N 3.03Å
135T36.2Very low49.2Very low123 Ų123120.6 Ų120.676%0.75566%0.663SS**  trans17.588.7160.2-370000116.1Q133Q133-T135 PolarHBondContact O-N 3.12Å
136E33.9Very low48.1Very low192 Ų192121.9 Ų121.990%0.89766%0.659SS**  trans-132137.4152.4-85.4-169.315800110.7V134V134-E136 PolarHBondContact O-N 3.03Å
137Q30.8Very low47.1Very low174 Ų174124.1 Ų124.181%0.81368%0.675SS**  trans-81.3159.7-157.8-67162.4-11.800112.7
138S33.3Very low46Very low119 Ų119125.3 Ų125.383%0.83268%0.682SS**  trans71.37514958.40000118.9
139A37.5Very low45Very low93 Ų93123.1 Ų123.177%0.76967%0.674SS**  trans-147.3113132.200000106.6P141A139-P141 WeakPolarHBondContact O-CD 3.43Å; A139-P141 VanDerWaalsContact O-N 3.17Å
140Q35.7Very low45.3Very low195 Ų195125.4 Ų125.491%0.91168%0.678SS**  trans-64.9114.7176.5-68.6-177.95.500107.9
141P43.1Very low45.5Very low107 Ų107123.4 Ų123.470%0.69567%0.673SS**PPolyproline II helixtrans-67.2148.5168.923.2-19.2000108.5A139 S143A139-P141 WeakPolarHBondContact O-CD 3.43Å; A139-P141 VanDerWaalsContact O-N 3.17Å; P141-S143 PolarHBondContact O-N 3.4Å
142P42.1Very low46.1Very low83 Ų83127.1 Ų127.154%0.53968%0.68SS.*PPolyproline II helixtrans-55.5133.1177.922.3-30.5000109.5L144P142-L144 PolarHBondContact O-N 3.3Å
143S46.2Very low47.2Very low63 Ų63125.8 Ų125.844%0.44166%0.664SS.*PPolyproline II helixtrans-53.2135.7-174.4530000111.7P141 Q145 Q146P141-S143 PolarHBondContact O-N 3.4Å; S143-Q145 PolarHBondContact O-N 3.07Å; S143-Q146 WeakPolarHBondContact O-CB 3.12Å; S143-Q146 PolarHBondContact O-N 2.92Å
144L45.4Very low48.6Very low131 Ų131122.2 Ų122.269%0.68665%0.651SS**Hα-helixtrans-41.8-37.4-178.9-75163.8000114.9P142 Q146 V147 D148P142-L144 PolarHBondContact O-N 3.3Å; L144-Q146 PolarHBondContact O-N 2.89Å; L144-V147 PolarHBondContact O-N 3.22Å; L144-V147 VanDerWaalsContact O-N 3.15Å; L144-D148 PolarHBondContact O-N 3.48Å
145Q48.5Very low50.1Low167 Ų167121.2 Ų121.278%0.7864%0.638SS**Hα-helixtrans-59-28.3176.2-71.7-179.1-21.400114.2S143 Q149S143-Q145 PolarHBondContact O-N 3.07Å; Q145-Q149 VanDerWaalsContact O-CB 3.23Å; Q145-Q149 WeakPolarHBondContact O-CB 2.76Å; Q145-Q149 PolarHBondContact O-N 3.33Å
146Q52.1Low52.1Low90 Ų90121 Ų12142%0.42162%0.623SS.*Hα-helixtrans-80.2-28.8179-67.3-179.3-3.500112.6S143 L144 R150S143-Q146 WeakPolarHBondContact O-CB 3.12Å; S143-Q146 PolarHBondContact O-N 2.92Å; L144-Q146 PolarHBondContact O-N 2.89Å; Q146-R150 WeakPolarHBondContact O-CD 3.07Å; Q146-R150 WeakPolarHBondContact O-CG 3.15Å; Q146-R150 PolarHBondContact O-N 2.86Å
147V50.7Low54.3Low85 Ų85117.2 Ų117.252%0.51560%0.604SS.*Hα-helixtrans-76.2-46.8178.1-178.70000109.4L144 Q149 R150 L151L144-V147 PolarHBondContact O-N 3.22Å; L144-V147 VanDerWaalsContact O-N 3.15Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 3.3Å; V147-R150 PolarHBondContact O-N 3.32Å; V147-R150 VanDerWaalsContact O-N 3.15Å; V147-L151 PolarHBondContact O-N 3.16Å
148D50.9Low56.6Low115 Ų115115.1 Ų115.162%0.61559%0.594SS**Hα-helixtrans-61.6-41.6178.2-158.812.8000111.7L144 R150 L151 F152L144-D148 PolarHBondContact O-N 3.48Å; D148-R150 PolarHBondContact O-N 2.82Å; D148-L151 PolarHBondContact O-N 3.26Å; D148-F152 WeakPolarHBondContact O-CB 3.17Å; D148-F152 PolarHBondContact O-N 3.49Å
149Q54.8Low58.6Low122 Ų122112.1 Ų112.157%0.5757%0.568SS**Hα-helixtrans-62.1-40.7174.1-179.2164.988.500112.8Q145 V147 E153Q145-Q149 VanDerWaalsContact O-CB 3.23Å; Q145-Q149 WeakPolarHBondContact O-CB 2.76Å; Q145-Q149 PolarHBondContact O-N 3.33Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 3.3Å; Q149-E153 HydrophobicContact CG-CG 4.48Å; Q149-E153 WeakPolarHBondContact CG-OE1 2.95Å; Q149-E153 VanDerWaalsContact O-CB 3.31Å; Q149-E153 WeakPolarHBondContact O-CB 3.45Å; Q149-E153 WeakPolarHBondContact O-CG 3.02Å; Q149-E153 PolarHBondContact O-N 3.38Å
150R69.3Low60.6Low160 Ų160109.9 Ų109.960%0.60454%0.542SS*.Hα-helixtrans-67.7-42.3179-75.2172.6-172.9-164.83.9112Q146 V147 D148 E153 D154Q146-R150 WeakPolarHBondContact O-CD 3.07Å; Q146-R150 WeakPolarHBondContact O-CG 3.15Å; Q146-R150 PolarHBondContact O-N 2.86Å; V147-R150 PolarHBondContact O-N 3.32Å; V147-R150 VanDerWaalsContact O-N 3.15Å; D148-R150 PolarHBondContact O-N 2.82Å; R150-E153 PolarHBondContact O-N 2.9Å; R150-D154 WeakPolarHBondContact O-CB 3.46Å; R150-D154 PolarHBondContact O-N 3.42Å
151L59.5Low62.8Low101 Ų101106 Ų10653%0.52952%0.523SS..Hα-helixtrans-65-44179.6-17564.9000111.4V147 D148 E153 D154 Q155V147-L151 PolarHBondContact O-N 3.16Å; D148-L151 PolarHBondContact O-N 3.26Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.46Å; L151-D154 PolarHBondContact O-N 2.94Å; L151-Q155 PolarHBondContact O-N 3.3Å
152F66.1Low64.7Low129 Ų129103.9 Ų103.957%0.56652%0.515SS*.Hα-helixtrans-62.8-39.5174.2-175.6-98.6000111.8D148 R156D148-F152 WeakPolarHBondContact O-CB 3.17Å; D148-F152 PolarHBondContact O-N 3.49Å; F152-R156 WeakPolarHBondContact O-CB 3.14Å; F152-R156 PolarHBondContact O-N 3.23Å
153E69.1Low66.5Low87 Ų87100.5 Ų100.541%0.40749%0.492SS..Hα-helixtrans-64.4-40.3174.9-78.1175.3-177.200112.7Q149 R150 L151 R156 K157Q149-E153 HydrophobicContact CG-CG 4.48Å; Q149-E153 WeakPolarHBondContact CG-OE1 2.95Å; Q149-E153 VanDerWaalsContact O-CB 3.31Å; Q149-E153 WeakPolarHBondContact O-CB 3.45Å; Q149-E153 WeakPolarHBondContact O-CG 3.02Å; Q149-E153 PolarHBondContact O-N 3.38Å; R150-E153 PolarHBondContact O-N 2.9Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.46Å; E153-R156 PolarHBondContact O-N 3.04Å; E153-K157 VanDerWaalsContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 3.11Å
154D74.5Confident68.3Low104 Ų10499 Ų9956%0.55648%0.479SS*.Hα-helixtrans-66.7-45.9177.5-80.1-20.2000111.5R150 L151 K157 Q158R150-D154 WeakPolarHBondContact O-CB 3.46Å; R150-D154 PolarHBondContact O-N 3.42Å; L151-D154 PolarHBondContact O-N 2.94Å; D154-K157 PolarHBondContact O-N 2.71Å; D154-Q158 PolarHBondContact O-N 2.94Å
155Q72.5Confident70.2Confident106 Ų10696.4 Ų96.450%0.49548%0.477SS..Hα-helixtrans-63-44.3175.5-169.8-177.12500111.3L151 K157 Q158 I159L151-Q155 PolarHBondContact O-N 3.3Å; Q155-K157 VanDerWaalsContact C-N 3.28Å; Q155-K157 PolarHBondContact O-N 3.49Å; Q155-Q158 PolarHBondContact O-N 2.84Å; Q155-I159 HydrophobicContact CG-CD1 4.19Å; Q155-I159 WeakPolarHBondContact O-CG1 3.4Å; Q155-I159 PolarHBondContact O-N 3.46Å
156R78.7Confident71.8Confident118 Ų11895.2 Ų95.245%0.44547%0.471SS..Hα-helixtrans-56.7-45.6175.2-175.5178.681.2168.11110.9F152 E153 I159 Q160 Y198F152-R156 WeakPolarHBondContact O-CB 3.14Å; F152-R156 PolarHBondContact O-N 3.23Å; E153-R156 PolarHBondContact O-N 3.04Å; R156-I159 PolarHBondContact O-N 3.41Å; R156-Q160 VanDerWaalsContact O-CB 3.28Å; R156-Q160 WeakPolarHBondContact O-CB 3.48Å; R156-Q160 PolarHBondContact O-N 3.48Å; R156-Y198 HydrophobicContact CG-CE1 4.47Å; R156-Y198 WeakPolarHBondContact CG-OH 3.33Å
157K80.3Confident73.3Confident112 Ų11291.3 Ų91.349%0.48745%0.454SS..Hα-helixtrans-64.5-43.4179.7-176.4-179.1170.6-169.50111.6E153 D154 Q155 I159 Q160 E161E153-K157 VanDerWaalsContact O-CB 3.24Å; E153-K157 WeakPolarHBondContact O-CB 3.47Å; E153-K157 PolarHBondContact O-N 3.11Å; D154-K157 PolarHBondContact O-N 2.71Å; Q155-K157 VanDerWaalsContact C-N 3.28Å; Q155-K157 PolarHBondContact O-N 3.49Å; K157-I159 PolarHBondContact O-N 3.44Å; K157-Q160 PolarHBondContact O-N 3.45Å; K157-E161 WeakPolarHBondContact CE-OE1 3.21Å; K157-E161 HydrophobicContact CG-CG 4.44Å; K157-E161 IonicContact NZ-OE1 2.67Å; K157-E161 WeakPolarHBondContact O-CB 3.32Å; K157-E161 WeakPolarHBondContact O-CG 3.34Å; K157-E161 PolarHBondContact O-N 3.04Å
158Q78Confident75Confident131 Ų13192.5 Ų92.561%0.61245%0.452SS*.Hα-helixtrans-62.4-44.6178.6-169.9178.818.500112D154 Q155 Q160 E161 A162D154-Q158 PolarHBondContact O-N 2.94Å; Q155-Q158 PolarHBondContact O-N 2.84Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q158-E161 PolarHBondContact O-N 3.49Å; Q158-A162 WeakPolarHBondContact O-CB 3.38Å; Q158-A162 PolarHBondContact O-N 3.44Å
159I76.3Confident76.6Confident55 Ų5592.7 Ų92.728%0.28245%0.449SS..Hα-helixtrans-64.2-43176.3-62165.8000110.3Q155 R156 K157 A162 L163 Y198 Y201 M202Q155-I159 HydrophobicContact CG-CD1 4.19Å; Q155-I159 WeakPolarHBondContact O-CG1 3.4Å; Q155-I159 PolarHBondContact O-N 3.46Å; R156-I159 PolarHBondContact O-N 3.41Å; K157-I159 PolarHBondContact O-N 3.44Å; I159-A162 PolarHBondContact O-N 3.45Å; I159-L163 VanDerWaalsContact O-CB 3.22Å; I159-L163 WeakPolarHBondContact O-CB 3.42Å; I159-L163 PolarHBondContact O-N 2.8Å; I159-Y198 HydrophobicContact CB-CE2 4.39Å; I159-Y198 HydrophobicContact CG2-CD2 4.49Å; I159-Y198 HydrophobicContact CG2-CE2 4.04Å; I159-Y201 HydrophobicContact CG2-CE1 4.28Å; I159-M202 HydrophobicContact CB-CE 4.23Å; I159-M202 HydrophobicContact CD1-CE 3.83Å; I159-M202 HydrophobicContact CG2-CE 3.47Å; I159-M202 VanDerWaalsContact CG2-CE 3.47Å
160Q79.4Confident78Confident47 Ų4792.4 Ų92.422%0.2245%0.448CS..Hα-helixtrans-62.3-44178.1-172.8168.142.800111.7R156 K157 Q158 L163 N164 E195 Y198R156-Q160 VanDerWaalsContact O-CB 3.28Å; R156-Q160 WeakPolarHBondContact O-CB 3.48Å; R156-Q160 PolarHBondContact O-N 3.48Å; K157-Q160 PolarHBondContact O-N 3.45Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q160-L163 PolarHBondContact O-N 3.07Å; Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 PolarHBondContact O-N 2.7Å; Q160-N164 PolarHBondContact O-ND2 3.14Å; Q160-N164 PolarHBondContact O-OD1 2.84Å; Q160-E195 PolarHBondContact NE2-OE2 3.05Å; Q160-Y198 HydrophobicContact CB-CD2 4.37Å
161E81.1Confident79Confident112 Ų11286.1 Ų86.152%0.52343%0.425SS..Hα-helixtrans-63.6-44.4177.7-76.5177.5178.900112.4K157 Q158 N164 A165K157-E161 WeakPolarHBondContact CE-OE1 3.21Å; K157-E161 HydrophobicContact CG-CG 4.44Å; K157-E161 IonicContact NZ-OE1 2.67Å; K157-E161 WeakPolarHBondContact O-CB 3.32Å; K157-E161 WeakPolarHBondContact O-CG 3.34Å; K157-E161 PolarHBondContact O-N 3.04Å; Q158-E161 PolarHBondContact O-N 3.49Å; E161-N164 PolarHBondContact O-N 2.7Å; E161-A165 WeakPolarHBondContact O-CB 3.38Å; E161-A165 PolarHBondContact O-N 2.73Å
162A83.3Confident80.4Confident63 Ų6383 Ų8352%0.52141%0.411SS..Hα-helixtrans-63.7-46.5177.100000111.9Q158 I159 N164 A165 Q166Q158-A162 WeakPolarHBondContact O-CB 3.38Å; Q158-A162 PolarHBondContact O-N 3.44Å; I159-A162 PolarHBondContact O-N 3.45Å; A162-N164 VanDerWaalsContact C-N 3.32Å; A162-N164 PolarHBondContact O-N 3.12Å; A162-A165 PolarHBondContact O-N 3.1Å; A162-Q166 PolarHBondContact O-N 3.26Å; A162-Q166 VanDerWaalsContact O-N 3.16Å
163L80.9Confident81.4Confident13 Ų1379.5 Ų79.57%0.06841%0.406CS..Hα-helixtrans-64.1-39.8178.3-16174.6000111.3I159 Q160 Q166 T167 H197 Y198 Y201I159-L163 VanDerWaalsContact O-CB 3.22Å; I159-L163 WeakPolarHBondContact O-CB 3.42Å; I159-L163 PolarHBondContact O-N 2.8Å; Q160-L163 PolarHBondContact O-N 3.07Å; L163-Q166 PolarHBondContact O-N 2.92Å; L163-T167 PolarHBondContact O-N 3.37Å; L163-T167 VanDerWaalsContact O-N 3.11Å; L163-T167 PolarHBondContact O-OG1 3.02Å; L163-H197 VanDerWaalsContact CD1-CE1 3.5Å; L163-H197 WeakPolarHBondContact CD1-CE1 3.35Å; L163-H197 VanDerWaalsContact CD2-ND1 3.29Å; L163-H197 WeakPolarHBondContact CD2-ND1 3.45Å; L163-H197 WeakPolarHBondContact CG-ND1 3.31Å; L163-Y198 HydrophobicContact CD2-CD2 4.34Å; L163-Y201 HydrophobicContact CD1-CD2 4.28Å; L163-Y201 HydrophobicContact CD1-CG 4.32Å; L163-Y201 HydrophobicContact CD2-CG 4.47Å
164N82.7Confident82.2Confident31 Ų3180.5 Ų80.517%0.16641%0.407CS..Hα-helixtrans-65.3-44.1176-73.9-7.8000111.5Q160 E161 A162 Q166 T167 F168 Q194Q160-N164 WeakPolarHBondContact O-CB 3.42Å; Q160-N164 PolarHBondContact O-N 2.7Å; Q160-N164 PolarHBondContact O-ND2 3.14Å; Q160-N164 PolarHBondContact O-OD1 2.84Å; E161-N164 PolarHBondContact O-N 2.7Å; A162-N164 VanDerWaalsContact C-N 3.32Å; A162-N164 PolarHBondContact O-N 3.12Å; N164-Q166 VanDerWaalsContact C-N 3.3Å; N164-Q166 PolarHBondContact O-N 3.44Å; N164-T167 PolarHBondContact O-N 2.88Å; N164-F168 WeakPolarHBondContact O-CA 3.44Å; N164-F168 WeakPolarHBondContact O-CB 3.37Å; N164-F168 PolarHBondContact O-N 3.4Å; N164-Q194 VanDerWaalsContact CG-CD 3.41Å; N164-Q194 VanDerWaalsContact OD1-CB 3.24Å; N164-Q194 WeakPolarHBondContact OD1-CB 3.43Å; N164-Q194 WeakPolarHBondContact OD1-CG 3.41Å
165A84.8Confident83Confident77 Ų7775.5 Ų75.564%0.63638%0.38SS*.Hα-helixtrans-59.8-41.5178.100000111.9E161 A162E161-A165 WeakPolarHBondContact O-CB 3.38Å; E161-A165 PolarHBondContact O-N 2.73Å; A162-A165 PolarHBondContact O-N 3.1Å
166Q82.6Confident83.9Confident141 Ų14175.5 Ų75.566%0.65938%0.38SS*.Hα-helixtrans-68.7-39.2179-168.8179.48.700112.6A162 L163 N164 H169A162-Q166 PolarHBondContact O-N 3.26Å; A162-Q166 VanDerWaalsContact O-N 3.16Å; L163-Q166 PolarHBondContact O-N 2.92Å; N164-Q166 VanDerWaalsContact C-N 3.3Å; N164-Q166 PolarHBondContact O-N 3.44Å; Q166-H169 PolarHBondContact O-CE1 3.3Å; Q166-H169 PolarHBondContact O-ND1 2.8Å; Q166-H169 VanDerWaalsContact O-ND1 3.13Å
167T84.2Confident84.4Confident8 Ų877 Ų775%0.04939%0.392CS..Hα-helixtrans-96.3-11-173.353.90000114.8L163 N164 H169 Q170 F171 H197L163-T167 PolarHBondContact O-N 3.37Å; L163-T167 VanDerWaalsContact O-N 3.11Å; L163-T167 PolarHBondContact O-OG1 3.02Å; N164-T167 PolarHBondContact O-N 2.88Å; T167-H169 VanDerWaalsContact C-N 3.31Å; T167-H169 PolarHBondContact O-N 2.58Å; T167-Q170 PolarHBondContact O-N 3.28Å; T167-F171 HydrophobicContact CG2-CE2 4.23Å; T167-F171 HydrophobicContact CG2-CZ 4.31Å; T167-F171 PolarHBondContact O-N 2.9Å; T167-F171 VanDerWaalsContact O-N 3.13Å; T167-F171 WeakPolarHBondContact OG1-CE2 3.42Å; T167-H197 VanDerWaalsContact CG2-CE1 3.42Å; T167-H197 WeakPolarHBondContact CG2-CE1 3.39Å
168F86.4Confident84.6Confident110 Ų11076.5 Ų76.548%0.48239%0.392SS..Hα-helixtrans-51.9-46.4-173.7-179.3-101.2000113.1N164 Q170 F171 S172 I190N164-F168 WeakPolarHBondContact O-CA 3.44Å; N164-F168 WeakPolarHBondContact O-CB 3.37Å; N164-F168 PolarHBondContact O-N 3.4Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 2.75Å; F168-F171 PolarHBondContact O-N 2.76Å; F168-S172 WeakPolarHBondContact O-CB 3.29Å; F168-S172 PolarHBondContact O-N 3.32Å; F168-I190 HydrophobicContact CD2-CG2 4.4Å; F168-I190 HydrophobicContact CE2-CG2 4.47Å
169H85Confident85.1Confident119 Ų11973.4 Ų73.455%0.55138%0.376SS*.Hα-helixtrans-63-37.3-17865.9-81.7000112.5Q166 T167 A173Q166-H169 PolarHBondContact O-CE1 3.3Å; Q166-H169 PolarHBondContact O-ND1 2.8Å; Q166-H169 VanDerWaalsContact O-ND1 3.13Å; T167-H169 VanDerWaalsContact C-N 3.31Å; T167-H169 PolarHBondContact O-N 2.58Å; H169-A173 WeakPolarHBondContact O-CB 3.46Å; H169-A173 PolarHBondContact O-N 2.72Å
170Q84.1Confident85.8Confident116 Ų11675 Ų7554%0.54239%0.39SS..Hα-helixtrans-70.1-46.8179-57.3179.83.500111.1T167 F168 S172 A173 Y174T167-Q170 PolarHBondContact O-N 3.28Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 2.75Å; Q170-S172 VanDerWaalsContact C-N 3.35Å; Q170-A173 PolarHBondContact O-N 2.97Å; Q170-Y174 PolarHBondContact O-N 3.14Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å
171F89.4Confident86.2Confident29 Ų2976 Ų7613%0.12741%0.414CS..Hα-helixtrans-68.5-35177.8-60.5-32.4000112.3T167 F168 Y174 A175 I190 L193 Q194 H197T167-F171 HydrophobicContact CG2-CE2 4.23Å; T167-F171 HydrophobicContact CG2-CZ 4.31Å; T167-F171 PolarHBondContact O-N 2.9Å; T167-F171 VanDerWaalsContact O-N 3.13Å; T167-F171 WeakPolarHBondContact OG1-CE2 3.42Å; F168-F171 PolarHBondContact O-N 2.76Å; F171-Y174 PolarHBondContact O-N 2.81Å; F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.94Å; F171-I190 HydrophobicContact CB-CG1 4.26Å; F171-I190 HydrophobicContact CB-CG2 4.18Å; F171-L193 HydrophobicContact CB-CB 4.47Å; F171-L193 HydrophobicContact CB-CD1 4.22Å; F171-L193 HydrophobicContact CD1-CB 3.76Å; F171-L193 HydrophobicContact CD1-CD1 3.89Å; F171-L193 HydrophobicContact CD1-CG 4.35Å; F171-L193 HydrophobicContact CD2-CB 4.13Å; F171-L193 HydrophobicContact CE1-CB 3.94Å; F171-L193 HydrophobicContact CE2-CB 4.28Å; F171-L193 HydrophobicContact CG-CB 3.87Å; F171-L193 HydrophobicContact CG-CD1 4.23Å; F171-L193 HydrophobicContact CZ-CB 4.2Å; F171-Q194 HydrophobicContact CD2-CG 3.64Å; F171-Q194 HydrophobicContact CE2-CG 3.84Å; F171-H197 HydrophobicContact CE2-CB 4.22Å; F171-H197 HydrophobicContact CZ-CB 3.81Å
172S88.4Confident86.6Confident35 Ų3575 Ų7525%0.24541%0.409CS..Hα-helixtrans-64.7-42.9175.2-172.10000111.6F168 Q170 A175 Q176F168-S172 WeakPolarHBondContact O-CB 3.29Å; F168-S172 PolarHBondContact O-N 3.32Å; Q170-S172 VanDerWaalsContact C-N 3.35Å; S172-A175 PolarHBondContact O-N 2.9Å; S172-Q176 WeakPolarHBondContact O-CB 3.42Å; S172-Q176 PolarHBondContact O-N 3.27Å
173A86.8Confident86.9Confident55 Ų5576 Ų7646%0.45541%0.41SS..Hα-helixtrans-63.2-47.7176.200000111.4H169 Q170 A175 Q176 E177H169-A173 WeakPolarHBondContact O-CB 3.46Å; H169-A173 PolarHBondContact O-N 2.72Å; Q170-A173 PolarHBondContact O-N 2.97Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A173-A175 PolarHBondContact O-N 2.88Å; A173-Q176 WeakPolarHBondContact O-CB 3.33Å; A173-Q176 PolarHBondContact O-N 2.94Å; A173-E177 PolarHBondContact O-N 3.17Å
174Y87.6Confident87.3Confident108 Ų10883.3 Ų83.342%0.42444%0.444SS..Hα-helixtrans-60.7-41.6177.1179.7-102.7000112.6Q170 F171 E177 Q178 L189 L193Q170-Y174 PolarHBondContact O-N 3.14Å; Q170-Y174 VanDerWaalsContact O-N 3.07Å; F171-Y174 PolarHBondContact O-N 2.81Å; Y174-E177 PolarHBondContact O-N 3.41Å; Y174-Q178 HydrophobicContact CD1-CG 4.41Å; Y174-Q178 HydrophobicContact CE1-CG 4.01Å; Y174-Q178 HydrophobicContact CE2-CG 4.25Å; Y174-Q178 WeakPolarHBondContact O-CG 3.48Å; Y174-Q178 PolarHBondContact O-N 3.49Å; Y174-Q178 VanDerWaalsContact O-N 3.16Å; Y174-L189 HydrophobicContact CD1-CD2 3.96Å; Y174-L189 HydrophobicContact CE1-CD2 3.93Å; Y174-L193 HydrophobicContact CD1-CD1 3.58Å; Y174-L193 HydrophobicContact CE1-CD1 4.03Å
175A90.1Very high87.6Confident0 Ų085.8 Ų85.80%045%0.454CS..Hα-helixtrans-66.4-37.4177.200000112.8F171 S172 A173 E177 Q178 F179 Q186 L189 I190F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.94Å; S172-A175 PolarHBondContact O-N 2.9Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A173-A175 PolarHBondContact O-N 2.88Å; A175-E177 VanDerWaalsContact C-N 3.27Å; A175-E177 PolarHBondContact O-N 2.98Å; A175-Q178 PolarHBondContact O-N 3.22Å; A175-F179 PolarHBondContact O-N 3.08Å; A175-Q186 HydrophobicContact CB-CB 3.97Å; A175-Q186 HydrophobicContact CB-CG 4.18Å; A175-L189 HydrophobicContact CB-CD2 3.98Å; A175-I190 HydrophobicContact CB-CD1 4.11Å; A175-I190 HydrophobicContact CB-CG1 3.75Å
176Q91Very high87.8Confident106 Ų10683.2 Ų83.250%0.49543%0.429SS..Hα-helixtrans-59.4-38.3175.2-168.28516.100111.9S172 A173 P180S172-Q176 WeakPolarHBondContact O-CB 3.42Å; S172-Q176 PolarHBondContact O-N 3.27Å; A173-Q176 WeakPolarHBondContact O-CB 3.33Å; A173-Q176 PolarHBondContact O-N 2.94Å; Q176-P180 VanDerWaalsContact O-CA 3.3Å; Q176-P180 WeakPolarHBondContact O-CA 3.46Å
177E89.9Confident88.1Confident148 Ų14880.9 Ų80.969%0.69243%0.425SS*.Hα-helixtrans-73-42.1179.1-69.3-177.9171.700112.9A173 Y174 A175A173-E177 PolarHBondContact O-N 3.17Å; Y174-E177 PolarHBondContact O-N 3.41Å; A175-E177 VanDerWaalsContact C-N 3.27Å; A175-E177 PolarHBondContact O-N 2.98Å
178Q85.6Confident88.4Confident102 Ų10284.4 Ų84.448%0.47745%0.447SS..Hα-helixtrans-72.9-37.5-179.6-67-63.1-3800112.1Y174 A175 L189Y174-Q178 HydrophobicContact CD1-CG 4.41Å; Y174-Q178 HydrophobicContact CE1-CG 4.01Å; Y174-Q178 HydrophobicContact CE2-CG 4.25Å; Y174-Q178 WeakPolarHBondContact O-CG 3.48Å; Y174-Q178 PolarHBondContact O-N 3.49Å; Y174-Q178 VanDerWaalsContact O-N 3.16Å; A175-Q178 PolarHBondContact O-N 3.22Å; Q178-L189 HydrophobicContact CB-CD2 4.27Å; Q178-L189 HydrophobicContact CG-CD2 4.41Å
179F88.6Confident88.5Confident66 Ų6680.5 Ų80.529%0.28943%0.431SS..SBendtrans-131.263.7-173.6-62.4-69.9000111.8A175 G181 Q182 Q185 Q186 L189A175-F179 PolarHBondContact O-N 3.08Å; F179-G181 PolarHBondContact O-N 2.83Å; F179-Q182 HydrophobicContact CB-CB 4.34Å; F179-Q182 PolarHBondContact O-N 3.23Å; F179-Q185 HydrophobicContact CB-CB 4.15Å; F179-Q185 HydrophobicContact CD1-CB 4.05Å; F179-Q185 HydrophobicContact CD2-CB 4.32Å; F179-Q185 HydrophobicContact CG-CB 3.92Å; F179-Q186 HydrophobicContact CB-CG 3.99Å; F179-Q186 WeakPolarHBondContact O-CG 3.46Å; F179-Q186 PolarHBondContact O-NE2 3.2Å; F179-L189 HydrophobicContact CD2-CD2 4.01Å; F179-L189 HydrophobicContact CE2-CB 4.47Å; F179-L189 HydrophobicContact CE2-CD2 3.96Å
180P90.2Very high88.6Confident89 Ų8975.6 Ų75.658%0.57841%0.408SS*.THydrogen-bonded Turntrans-63.3129.7-178.625.9-33.9000111Q176 Q182Q176-P180 VanDerWaalsContact O-CA 3.3Å; Q176-P180 WeakPolarHBondContact O-CA 3.46Å; P180-Q182 VanDerWaalsContact C-N 3.26Å; P180-Q182 PolarHBondContact O-N 2.74Å
181G87.8Confident88.8Confident69 Ų6979.3 Ų79.371%0.71142%0.417SS*.THydrogen-bonded Turntrans74.37.3178.300000115.5F179 P183F179-G181 PolarHBondContact O-N 2.83Å; G181-P183 WeakPolarHBondContact O-CD 3.25Å
182Q90.1Very high88.8Confident91 Ų9183.9 Ų83.943%0.42544%0.439SS..  trans-117.779.1179.8-64.5-173.954.900111.2F179 P180 E184 Q185 Q186F179-Q182 HydrophobicContact CB-CB 4.34Å; F179-Q182 PolarHBondContact O-N 3.23Å; P180-Q182 VanDerWaalsContact C-N 3.26Å; P180-Q182 PolarHBondContact O-N 2.74Å; Q182-E184 VanDerWaalsContact C-N 3.3Å; Q182-E184 PolarHBondContact O-N 3.48Å; Q182-Q185 HydrophobicContact CB-CB 4.25Å; Q182-Q185 PolarHBondContact O-N 3.04Å; Q182-Q186 WeakPolarHBondContact O-CG 3.39Å; Q182-Q186 PolarHBondContact O-N 3.34Å
183P88.5Confident88.7Confident84 Ų8483.9 Ų83.955%0.54544%0.436SS..Hα-helixtrans-62.3-31.9-17124.4-34.5000113.9G181 T187G181-P183 WeakPolarHBondContact O-CD 3.25Å; P183-T187 WeakPolarHBondContact O-CB 3.46Å; P183-T187 PolarHBondContact O-N 2.93Å; P183-T187 PolarHBondContact O-OG1 3.47Å
184E90.5Very high88.7Confident166 Ų16682.5 Ų82.578%0.77642%0.42SS*.Hα-helixtrans-67.7-41.2178.2-64.7-176.6176.100112.2Q182 T187 T188Q182-E184 VanDerWaalsContact C-N 3.3Å; Q182-E184 PolarHBondContact O-N 3.48Å; E184-T187 PolarHBondContact O-N 2.93Å; E184-T188 PolarHBondContact O-N 3.39Å; E184-T188 PolarHBondContact O-OG1 2.89Å
185Q89Confident88.6Confident82 Ų8281 Ų8138%0.38342%0.417SS..Hα-helixtrans-71.1-39.3176.9-68.2-176.98.800111F179 Q182 T187 T188 L189F179-Q185 HydrophobicContact CB-CB 4.15Å; F179-Q185 HydrophobicContact CD1-CB 4.05Å; F179-Q185 HydrophobicContact CD2-CB 4.32Å; F179-Q185 HydrophobicContact CG-CB 3.92Å; Q182-Q185 HydrophobicContact CB-CB 4.25Å; Q182-Q185 PolarHBondContact O-N 3.04Å; Q185-T187 PolarHBondContact O-N 2.78Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-L189 WeakPolarHBondContact O-CB 3.35Å; Q185-L189 PolarHBondContact O-N 3.4Å
186Q88.4Confident88.3Confident23 Ų2386.8 Ų86.811%0.10744%0.444CS..Hα-helixtrans-57.5-49.1172.6-67.9175.1-1.500111.4A175 F179 Q182 T188 L189 I190A175-Q186 HydrophobicContact CB-CB 3.97Å; A175-Q186 HydrophobicContact CB-CG 4.18Å; F179-Q186 HydrophobicContact CB-CG 3.99Å; F179-Q186 WeakPolarHBondContact O-CG 3.46Å; F179-Q186 PolarHBondContact O-NE2 3.2Å; Q182-Q186 WeakPolarHBondContact O-CG 3.39Å; Q182-Q186 PolarHBondContact O-N 3.34Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.22Å; Q186-L189 PolarHBondContact O-N 3.06Å; Q186-I190 WeakPolarHBondContact O-CD1 3.25Å; Q186-I190 WeakPolarHBondContact O-CG1 3.2Å; Q186-I190 PolarHBondContact O-N 2.81Å
187T88.9Confident87.9Confident92 Ų9284.3 Ų84.356%0.56443%0.432SS*.Hα-helixtrans-60.7-42.3179.3-56.60000111.5P183 E184 Q185 R191P183-T187 WeakPolarHBondContact O-CB 3.46Å; P183-T187 PolarHBondContact O-N 2.93Å; P183-T187 PolarHBondContact O-OG1 3.47Å; E184-T187 PolarHBondContact O-N 2.93Å; Q185-T187 PolarHBondContact O-N 2.78Å; T187-R191 WeakPolarHBondContact O-CB 3.18Å; T187-R191 PolarHBondContact O-N 2.99Å
188T90.5Very high87.5Confident83 Ų8378.7 Ų78.751%0.50941%0.405SS..Hα-helixtrans-63.9-42.6177.6-56.10000111.6E184 Q185 Q186 R191 Q192E184-T188 PolarHBondContact O-N 3.39Å; E184-T188 PolarHBondContact O-OG1 2.89Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q186-T188 VanDerWaalsContact C-N 3.32Å; Q186-T188 PolarHBondContact O-N 3.22Å; T188-R191 PolarHBondContact O-N 3.42Å; T188-Q192 PolarHBondContact O-N 3.41Å; T188-Q192 VanDerWaalsContact O-N 3.12Å
189L89.1Confident87.2Confident28 Ų2879.1 Ų79.115%0.14741%0.407CS..Hα-helixtrans-66.8-45.4177.4-177.268.4000112Y174 A175 Q178 F179 Q185 Q186 R191 Q192 L193Y174-L189 HydrophobicContact CD1-CD2 3.96Å; Y174-L189 HydrophobicContact CE1-CD2 3.93Å; A175-L189 HydrophobicContact CB-CD2 3.98Å; Q178-L189 HydrophobicContact CB-CD2 4.27Å; Q178-L189 HydrophobicContact CG-CD2 4.41Å; F179-L189 HydrophobicContact CD2-CD2 4.01Å; F179-L189 HydrophobicContact CE2-CB 4.47Å; F179-L189 HydrophobicContact CE2-CD2 3.96Å; Q185-L189 WeakPolarHBondContact O-CB 3.35Å; Q185-L189 PolarHBondContact O-N 3.4Å; Q186-L189 PolarHBondContact O-N 3.06Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.41Å; L189-Q192 PolarHBondContact O-N 3.07Å; L189-Q192 VanDerWaalsContact O-N 3.1Å; L189-L193 HydrophobicContact CD1-CD1 4.45Å; L189-L193 HydrophobicContact CD1-CG 4.49Å; L189-L193 HydrophobicContact CD2-CD1 4.45Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 3.33Å
190I86.8Confident86.6Confident15 Ų1581.6 Ų81.68%0.07742%0.42CS..Hα-helixtrans-56-45.1176.9-68.3162.6000109.7F168 F171 A175 Q186 Q192 L193 Q194F168-I190 HydrophobicContact CD2-CG2 4.4Å; F168-I190 HydrophobicContact CE2-CG2 4.47Å; F171-I190 HydrophobicContact CB-CG1 4.26Å; F171-I190 HydrophobicContact CB-CG2 4.18Å; A175-I190 HydrophobicContact CB-CD1 4.11Å; A175-I190 HydrophobicContact CB-CG1 3.75Å; Q186-I190 WeakPolarHBondContact O-CD1 3.25Å; Q186-I190 WeakPolarHBondContact O-CG1 3.2Å; Q186-I190 PolarHBondContact O-N 2.81Å; I190-Q192 PolarHBondContact O-N 3.38Å; I190-L193 PolarHBondContact O-N 2.88Å; I190-Q194 HydrophobicContact CG2-CG 4.3Å; I190-Q194 WeakPolarHBondContact O-CB 3.24Å; I190-Q194 VanDerWaalsContact O-CG 3.25Å; I190-Q194 WeakPolarHBondContact O-CG 3.11Å; I190-Q194 PolarHBondContact O-N 3.49Å
191R88Confident86.2Confident194 Ų19482.1 Ų82.173%0.73241%0.411SS*.Hα-helixtrans-61.8-40.9177.5-172.9178.9179.5-178.10.8112.5T187 T188 L189 E195T187-R191 WeakPolarHBondContact O-CB 3.18Å; T187-R191 PolarHBondContact O-N 2.99Å; T188-R191 PolarHBondContact O-N 3.42Å; L189-R191 VanDerWaalsContact C-N 3.25Å; L189-R191 PolarHBondContact O-N 3.41Å; R191-E195 WeakPolarHBondContact O-CB 3.39Å; R191-E195 PolarHBondContact O-N 3.13Å
192Q88.4Confident85.7Confident126 Ų12681.3 Ų81.359%0.58939%0.389SS*.Hα-helixtrans-65.2-43.5176.4-75.2-178.4-12.600112.1T188 L189 I190 E195 Q196T188-Q192 PolarHBondContact O-N 3.41Å; T188-Q192 VanDerWaalsContact O-N 3.12Å; L189-Q192 PolarHBondContact O-N 3.07Å; L189-Q192 VanDerWaalsContact O-N 3.1Å; I190-Q192 PolarHBondContact O-N 3.38Å; Q192-E195 PolarHBondContact O-N 3.16Å; Q192-Q196 WeakPolarHBondContact O-CB 3.49Å; Q192-Q196 PolarHBondContact O-N 3.4Å
193L86.1Confident84.8Confident34 Ų3480.4 Ų80.418%0.17839%0.393CS..Hα-helixtrans-65-41.4177.8-70.4169.5000111.9F171 Y174 L189 I190 Q196 H197F171-L193 HydrophobicContact CB-CB 4.47Å; F171-L193 HydrophobicContact CB-CD1 4.22Å; F171-L193 HydrophobicContact CD1-CB 3.76Å; F171-L193 HydrophobicContact CD1-CD1 3.89Å; F171-L193 HydrophobicContact CD1-CG 4.35Å; F171-L193 HydrophobicContact CD2-CB 4.13Å; F171-L193 HydrophobicContact CE1-CB 3.94Å; F171-L193 HydrophobicContact CE2-CB 4.28Å; F171-L193 HydrophobicContact CG-CB 3.87Å; F171-L193 HydrophobicContact CG-CD1 4.23Å; F171-L193 HydrophobicContact CZ-CB 4.2Å; Y174-L193 HydrophobicContact CD1-CD1 3.58Å; Y174-L193 HydrophobicContact CE1-CD1 4.03Å; L189-L193 HydrophobicContact CD1-CD1 4.45Å; L189-L193 HydrophobicContact CD1-CG 4.49Å; L189-L193 HydrophobicContact CD2-CD1 4.45Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 3.33Å; I190-L193 PolarHBondContact O-N 2.88Å; L193-Q196 PolarHBondContact O-N 3.2Å; L193-H197 WeakPolarHBondContact O-CB 3.22Å; L193-H197 PolarHBondContact O-N 3Å
194Q87.6Confident84Confident26 Ų2681.4 Ų81.412%0.12139%0.39CS..Hα-helixtrans-60.3-45174.3-78.6176.4-21.400112.2N164 F171 I190 H197 Y198N164-Q194 VanDerWaalsContact CG-CD 3.41Å; N164-Q194 VanDerWaalsContact OD1-CB 3.24Å; N164-Q194 WeakPolarHBondContact OD1-CB 3.43Å; N164-Q194 WeakPolarHBondContact OD1-CG 3.41Å; F171-Q194 HydrophobicContact CD2-CG 3.64Å; F171-Q194 HydrophobicContact CE2-CG 3.84Å; I190-Q194 HydrophobicContact CG2-CG 4.3Å; I190-Q194 WeakPolarHBondContact O-CB 3.24Å; I190-Q194 VanDerWaalsContact O-CG 3.25Å; I190-Q194 WeakPolarHBondContact O-CG 3.11Å; I190-Q194 PolarHBondContact O-N 3.49Å; Q194-H197 PolarHBondContact O-N 3.13Å; Q194-Y198 WeakPolarHBondContact O-CB 2.99Å; Q194-Y198 PolarHBondContact O-N 2.97Å
195E84.7Confident83Confident78 Ų7875.4 Ų75.436%0.36436%0.364SS..Hα-helixtrans-65.6-43.9177.6-175.560.6-142.100111.8Q160 R191 Q192 H197 Y198 Q199Q160-E195 PolarHBondContact NE2-OE2 3.05Å; R191-E195 WeakPolarHBondContact O-CB 3.39Å; R191-E195 PolarHBondContact O-N 3.13Å; Q192-E195 PolarHBondContact O-N 3.16Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 2.82Å; E195-Y198 WeakPolarHBondContact O-CB 2.89Å; E195-Y198 PolarHBondContact O-N 3.32Å; E195-Q199 WeakPolarHBondContact O-CG 3.5Å; E195-Q199 PolarHBondContact O-N 2.96Å; E195-Q199 PolarHBondContact OE1-NE2 3.02Å
196Q84.3Confident81.4Confident121 Ų12179.4 Ų79.457%0.56538%0.377SS*.Hα-helixtrans-64.4-40.9176.5-170.7-179.1-3.500111.6Q192 L193 Q199 Q200Q192-Q196 WeakPolarHBondContact O-CB 3.49Å; Q192-Q196 PolarHBondContact O-N 3.4Å; L193-Q196 PolarHBondContact O-N 3.2Å; Q196-Q199 PolarHBondContact O-N 3Å; Q196-Q200 WeakPolarHBondContact O-CB 3.05Å; Q196-Q200 PolarHBondContact O-N 3.31Å
197H82.1Confident79.9Confident54 Ų5480.7 Ų80.725%0.2539%0.392CS..Hα-helixtrans-64.3-41.2176.2-176.8-115.4000111.6L163 T167 F171 L193 Q194 E195 Q200 Y201L163-H197 VanDerWaalsContact CD1-CE1 3.5Å; L163-H197 WeakPolarHBondContact CD1-CE1 3.35Å; L163-H197 VanDerWaalsContact CD2-ND1 3.29Å; L163-H197 WeakPolarHBondContact CD2-ND1 3.45Å; L163-H197 WeakPolarHBondContact CG-ND1 3.31Å; T167-H197 VanDerWaalsContact CG2-CE1 3.42Å; T167-H197 WeakPolarHBondContact CG2-CE1 3.39Å; F171-H197 HydrophobicContact CE2-CB 4.22Å; F171-H197 HydrophobicContact CZ-CB 3.81Å; L193-H197 WeakPolarHBondContact O-CB 3.22Å; L193-H197 PolarHBondContact O-N 3Å; Q194-H197 PolarHBondContact O-N 3.13Å; E195-H197 VanDerWaalsContact C-N 3.34Å; E195-H197 PolarHBondContact O-N 2.82Å; H197-Q200 PolarHBondContact O-N 2.71Å; H197-Y201 VanDerWaalsContact O-CB 3.3Å; H197-Y201 WeakPolarHBondContact O-CB 3.46Å; H197-Y201 PolarHBondContact O-N 3.38Å
198Y81.8Confident78.4Confident29 Ų2981.3 Ų81.311%0.11439%0.389CS..Hα-helixtrans-58.9-47172.9176.7-96.7000111.6R156 I159 Q160 L163 Q194 E195 Q200 Y201 M202R156-Y198 HydrophobicContact CG-CE1 4.47Å; R156-Y198 WeakPolarHBondContact CG-OH 3.33Å; I159-Y198 HydrophobicContact CB-CE2 4.39Å; I159-Y198 HydrophobicContact CG2-CD2 4.49Å; I159-Y198 HydrophobicContact CG2-CE2 4.04Å; Q160-Y198 HydrophobicContact CB-CD2 4.37Å; L163-Y198 HydrophobicContact CD2-CD2 4.34Å; Q194-Y198 WeakPolarHBondContact O-CB 2.99Å; Q194-Y198 PolarHBondContact O-N 2.97Å; E195-Y198 WeakPolarHBondContact O-CB 2.89Å; E195-Y198 PolarHBondContact O-N 3.32Å; Y198-Q200 PolarHBondContact O-N 2.87Å; Y198-Y201 PolarHBondContact O-N 3.48Å; Y198-M202 HydrophobicContact CD1-CG 4.3Å; Y198-M202 HydrophobicContact CD2-CE 4.14Å; Y198-M202 HydrophobicContact CD2-CG 4.4Å; Y198-M202 HydrophobicContact CE1-CG 3.79Å; Y198-M202 HydrophobicContact CE2-CE 3.3Å; Y198-M202 HydrophobicContact CE2-CG 3.94Å; Y198-M202 HydrophobicContact CE2-SD 4.37Å; Y198-M202 WeakPolarHBondContact O-CB 3.33Å; Y198-M202 VanDerWaalsContact O-CG 3.29Å; Y198-M202 WeakPolarHBondContact O-CG 3.44Å; Y198-M202 PolarHBondContact O-N 2.98Å; Y198-M202 WeakPolarHBondContact OH-CE 3.39Å
199Q79.7Confident76.2Confident111 Ų11181.5 Ų81.552%0.51938%0.384SS..Hα-helixtrans-63.2-42.5177.6-70.3173.619.800112.3E195 Q196 M202 S203E195-Q199 WeakPolarHBondContact O-CG 3.5Å; E195-Q199 PolarHBondContact O-N 2.96Å; E195-Q199 PolarHBondContact OE1-NE2 3.02Å; Q196-Q199 PolarHBondContact O-N 3Å; Q199-M202 PolarHBondContact O-N 3.49Å; Q199-S203 WeakPolarHBondContact O-CB 3.44Å; Q199-S203 PolarHBondContact O-N 3.43Å; Q199-S203 PolarHBondContact O-OG 3.08Å
200Q77.1Confident73.8Confident119 Ų11983.4 Ų83.456%0.55640%0.4SS*.Hα-helixtrans-62.7-46.9176.9-174.4178-19.300111Q196 H197 Y198 M202 S203 Q204Q196-Q200 WeakPolarHBondContact O-CB 3.05Å; Q196-Q200 PolarHBondContact O-N 3.31Å; H197-Q200 PolarHBondContact O-N 2.71Å; Y198-Q200 PolarHBondContact O-N 2.87Å; Q200-M202 PolarHBondContact O-N 2.96Å; Q200-S203 PolarHBondContact O-N 3.23Å; Q200-S203 PolarHBondContact O-OG 3.49Å; Q200-Q204 WeakPolarHBondContact O-CB 3.18Å; Q200-Q204 PolarHBondContact O-N 3.03Å
201Y81Confident71.3Confident100 Ų10088.1 Ų88.139%0.39243%0.429SS..Hα-helixtrans-57.6-49.2175.7177.8-96.8000111.4I159 L163 H197 Y198 S203 Q204 V205I159-Y201 HydrophobicContact CG2-CE1 4.28Å; L163-Y201 HydrophobicContact CD1-CD2 4.28Å; L163-Y201 HydrophobicContact CD1-CG 4.32Å; L163-Y201 HydrophobicContact CD2-CG 4.47Å; H197-Y201 VanDerWaalsContact O-CB 3.3Å; H197-Y201 WeakPolarHBondContact O-CB 3.46Å; H197-Y201 PolarHBondContact O-N 3.38Å; Y198-Y201 PolarHBondContact O-N 3.48Å; Y201-S203 VanDerWaalsContact C-N 3.34Å; Y201-S203 PolarHBondContact O-N 3.31Å; Y201-Q204 PolarHBondContact O-N 2.73Å; Y201-Q204 VanDerWaalsContact O-N 3.15Å; Y201-V205 HydrophobicContact CD1-CG2 4.19Å; Y201-V205 HydrophobicContact CE1-CG2 3.8Å; Y201-V205 HydrophobicContact CE2-CG2 4.26Å; Y201-V205 WeakPolarHBondContact O-CG2 3.07Å; Y201-V205 PolarHBondContact O-N 3.47Å
202M77.9Confident68.8Low52 Ų5284.2 Ų84.226%0.25643%0.427SS..Hα-helixtrans-62.5-39.5178.4-70.9-60.8155.100112.5I159 Y198 Q199 Q200 Q204 V205 Y206I159-M202 HydrophobicContact CB-CE 4.23Å; I159-M202 HydrophobicContact CD1-CE 3.83Å; I159-M202 HydrophobicContact CG2-CE 3.47Å; I159-M202 VanDerWaalsContact CG2-CE 3.47Å; Y198-M202 HydrophobicContact CD1-CG 4.3Å; Y198-M202 HydrophobicContact CD2-CE 4.14Å; Y198-M202 HydrophobicContact CD2-CG 4.4Å; Y198-M202 HydrophobicContact CE1-CG 3.79Å; Y198-M202 HydrophobicContact CE2-CE 3.3Å; Y198-M202 HydrophobicContact CE2-CG 3.94Å; Y198-M202 HydrophobicContact CE2-SD 4.37Å; Y198-M202 WeakPolarHBondContact O-CB 3.33Å; Y198-M202 VanDerWaalsContact O-CG 3.29Å; Y198-M202 WeakPolarHBondContact O-CG 3.44Å; Y198-M202 PolarHBondContact O-N 2.98Å; Y198-M202 WeakPolarHBondContact OH-CE 3.39Å; Q199-M202 PolarHBondContact O-N 3.49Å; Q200-M202 PolarHBondContact O-N 2.96Å; M202-Q204 VanDerWaalsContact C-N 3.32Å; M202-Q204 PolarHBondContact O-N 3.1Å; M202-V205 PolarHBondContact O-N 3.28Å; M202-Y206 WeakPolarHBondContact O-CB 3.28Å; M202-Y206 PolarHBondContact O-N 2.87Å
203S70.4Confident66.4Low71 Ų7183.5 Ų83.550%0.49743%0.433SS..Hα-helixtrans-65.3-35.9175.774.80000112.5Q199 Q200 Y201 Y206 A207Q199-S203 WeakPolarHBondContact O-CB 3.44Å; Q199-S203 PolarHBondContact O-N 3.43Å; Q199-S203 PolarHBondContact O-OG 3.08Å; Q200-S203 PolarHBondContact O-N 3.23Å; Q200-S203 PolarHBondContact O-OG 3.49Å; Y201-S203 VanDerWaalsContact C-N 3.34Å; Y201-S203 PolarHBondContact O-N 3.31Å; S203-Y206 PolarHBondContact O-N 3.13Å; S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.46Å; S203-A207 PolarHBondContact O-N 3.35Å
204Q72.4Confident63.7Low105 Ų10589.8 Ų89.849%0.49147%0.467SS..Hα-helixtrans-71.9-42.7177.9-173.3176.819.200111.3Q200 Y201 M202 Y206 A207 Q208Q200-Q204 WeakPolarHBondContact O-CB 3.18Å; Q200-Q204 PolarHBondContact O-N 3.03Å; Y201-Q204 PolarHBondContact O-N 2.73Å; Y201-Q204 VanDerWaalsContact O-N 3.15Å; M202-Q204 VanDerWaalsContact C-N 3.32Å; M202-Q204 PolarHBondContact O-N 3.1Å; Q204-Y206 VanDerWaalsContact C-N 3.3Å; Q204-Y206 PolarHBondContact O-N 3.44Å; Q204-A207 PolarHBondContact O-N 3.21Å; Q204-Q208 WeakPolarHBondContact O-CB 3.36Å; Q204-Q208 VanDerWaalsContact O-CG 3.25Å; Q204-Q208 WeakPolarHBondContact O-CG 3.48Å; Q204-Q208 PolarHBondContact O-N 2.84Å
205V68.4Low60.8Low40 Ų4092.3 Ų92.324%0.24250%0.5CS..Hα-helixtrans-57.7-46.2172.6170.70000109.9Y201 M202 Q208 Q209Y201-V205 HydrophobicContact CD1-CG2 4.19Å; Y201-V205 HydrophobicContact CE1-CG2 3.8Å; Y201-V205 HydrophobicContact CE2-CG2 4.26Å; Y201-V205 WeakPolarHBondContact O-CG2 3.07Å; Y201-V205 PolarHBondContact O-N 3.47Å; M202-V205 PolarHBondContact O-N 3.28Å; V205-Q208 PolarHBondContact O-N 3.33Å; V205-Q209 WeakPolarHBondContact O-CG 3.29Å; V205-Q209 PolarHBondContact O-N 3.28Å
206Y55.2Low58Low166 Ų16692.8 Ų92.865%0.65152%0.517SS*.Hα-helixtrans-66.4-42.5177.5-165.9-94.5000112.9M202 S203 Q204 Q208 Q209 S210M202-Y206 WeakPolarHBondContact O-CB 3.28Å; M202-Y206 PolarHBondContact O-N 2.87Å; S203-Y206 PolarHBondContact O-N 3.13Å; Q204-Y206 VanDerWaalsContact C-N 3.3Å; Q204-Y206 PolarHBondContact O-N 3.44Å; Y206-Q208 VanDerWaalsContact C-N 3.35Å; Y206-Q208 PolarHBondContact O-N 2.93Å; Y206-Q209 WeakPolarHBondContact O-CB 3.21Å; Y206-Q209 PolarHBondContact O-N 3.3Å; Y206-S210 PolarHBondContact O-N 2.85Å; Y206-S210 PolarHBondContact O-OG 2.54Å
207A58.1Low55.1Low51 Ų5195.8 Ų95.842%0.42153%0.531SS..Hα-helixtrans-61.4-42.617700000111.7S203 Q204 Q209 S210 T211S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.46Å; S203-A207 PolarHBondContact O-N 3.35Å; Q204-A207 PolarHBondContact O-N 3.21Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 2.99Å; A207-S210 WeakPolarHBondContact CA-OG 3.27Å; A207-S210 PolarHBondContact O-N 3.25Å; A207-S210 PolarHBondContact O-OG 2.77Å; A207-T211 PolarHBondContact O-N 3.01Å
208Q56.4Low52.5Low105 Ų105102.3 Ų102.349%0.49156%0.564SS.*Hα-helixtrans-64.7-35.3174.6-71.8175.41600112.5Q204 V205 Y206 T211Q204-Q208 WeakPolarHBondContact O-CB 3.36Å; Q204-Q208 VanDerWaalsContact O-CG 3.25Å; Q204-Q208 WeakPolarHBondContact O-CG 3.48Å; Q204-Q208 PolarHBondContact O-N 2.84Å; V205-Q208 PolarHBondContact O-N 3.33Å; Y206-Q208 VanDerWaalsContact C-N 3.35Å; Y206-Q208 PolarHBondContact O-N 2.93Å; Q208-T211 PolarHBondContact O-OG1 2.86Å
209Q44.3Very low49.7Very low86 Ų86107 Ų10740%0.40259%0.591SS.*Hα-helixtrans-70.2-30.9175.1-71.7168.79.600112.7V205 Y206 A207V205-Q209 WeakPolarHBondContact O-CG 3.29Å; V205-Q209 PolarHBondContact O-N 3.28Å; Y206-Q209 WeakPolarHBondContact O-CB 3.21Å; Y206-Q209 PolarHBondContact O-N 3.3Å; A207-Q209 VanDerWaalsContact C-N 3.33Å; A207-Q209 PolarHBondContact O-N 2.99Å
210S38.4Very low47.3Very low69 Ų69107.1 Ų107.148%0.48360%0.602SS.*Hα-helixtrans-83.2-10.2-176.462.30000115.5Y206 A207 T212Y206-S210 PolarHBondContact O-N 2.85Å; Y206-S210 PolarHBondContact O-OG 2.54Å; A207-S210 WeakPolarHBondContact CA-OG 3.27Å; A207-S210 PolarHBondContact O-N 3.25Å; A207-S210 PolarHBondContact O-OG 2.77Å; S210-T212 PolarHBondContact O-N 2.83Å; S210-T212 PolarHBondContact O-OG1 3.22Å
211T35.6Very low44.8Very low114 Ų114108.8 Ų108.870%0.69961%0.61SS**  trans-77.573.7172.252.60000111.4A207 Q208A207-T211 PolarHBondContact O-N 3.01Å; Q208-T211 PolarHBondContact O-OG1 2.86Å
212T34.2Very low42.2Very low111 Ų111112.6 Ų112.668%0.68163%0.631SS**  trans-85.8129.2162.217.60000109S210 N214S210-T212 PolarHBondContact O-N 2.83Å; S210-T212 PolarHBondContact O-OG1 3.22Å; T212-N214 VanDerWaalsContact C-N 3.35Å; T212-N214 PolarHBondContact O-N 3.46Å
213P38.6Very low39.7Very low111 Ų111114.3 Ų114.372%0.72165%0.648SS**SBendtrans-82.68517332.5-28.7000108.6
214N28.6Very low37.8Very low166 Ų166119.7 Ų119.789%0.88867%0.665SS**  trans-163.8107.6157.6-107-12.9000109.9T212T212-N214 VanDerWaalsContact C-N 3.35Å; T212-N214 PolarHBondContact O-N 3.46Å
215G27.1Very low35.5Very low79 Ų79122.8 Ų122.881%0.81468%0.679SS**  trans141.688.2167.900000113.9
216A26Very low33.7Very low88 Ų88129 Ų12973%0.72771%0.705SS**  trans-19137.2160.900000117.9
217E24.2Very low32.3Very low184 Ų184129.5 Ų129.586%0.8671%0.714SS**  trans5399137.4-60.8-178.1151.100118.3
218M26Very low31Very low191 Ų191134 Ų13494%0.94173%0.729SS**  -142.8102.2128.3-88.1-167.2-78.500109.6
219N24.3Very low29.4Very low127 Ų127140.2 Ų140.268%0.67975%0.748SS**  trans-74.2143.5149.6-154.213.7000106.5E221N219-E221 PolarHBondContact OD1-N 2.69Å
220P28.7Very low28.7Very low114 Ų114147.3 Ų147.374%0.7477%0.771SS**  -137.9128.592.830.5-14000112.8
221E24.5Very low28.1Very low155 Ų155151.6 Ų151.672%0.72479%0.789SS**  11.7114127.5-57-177.9134.100114.7N219N219-E221 PolarHBondContact OD1-N 2.69Å
222E27.6Very low28.1Very low180 Ų180153.5 Ų153.584%0.84179%0.794SS**  -173.9121.4113.1-99.7175.8164.100112.3
223S24.3Very low27.7Very low88 Ų88155.9 Ų155.962%0.61580%0.803SS**  trans53.6113.9142.262.70000120.2
224H30.9Very low27.4Very low184 Ų184155.7 Ų155.785%0.85281%0.805SS**  -165.2128.192-94.8-68.3000111.6
225Q24.9Very low27.1Very low170 Ų170154.8 Ų154.879%0.79480%0.8SS**  trans-54.6136.5169.3-72.7159.6-4.800111.5
226H30.6Very low27.1Very low170 Ų170156.5 Ų156.579%0.78779%0.794SS**  trans-14284.7136.2-115.3-71.1000109I228H226-I228 PolarHBondContact O-N 2.97Å
227Q25.3Very low27.2Very low176 Ų176157.5 Ų157.582%0.82280%0.796SS**  trans-71.4115.3155.4-70.7179.98.400107
228I30.6Very low27.2Very low146 Ų146155.8 Ų155.875%0.74979%0.793SS**  trans-122.590.4152.1-60.3-170.8000106.1H226H226-I228 PolarHBondContact O-N 2.97Å
229R22Very low27.4Very low236 Ų236153.6 Ų153.689%0.89179%0.785SS**  trans-95125.4149.9-74.3-175.4173.3178.6-2.6106
230R30.6Very low27.5Very low234 Ų234156.1 Ų156.188%0.88379%0.792SS**  trans-160.3121.6149.2-105.8176-163.4-171.84108.6
231D26.1Very low27.5Very low160 Ų160155.5 Ų155.586%0.85680%0.797SS**  trans-53.9145.6163.6-46.9-70.3000110.5
232D35.1Very low27.8Very low153 Ų153151.2 Ų151.282%0.81880%0.795SS**  trans-158.7122.2140.9-152.414.2000110.7
233D25.2Very low27.8Very low162 Ų162151.2 Ų151.287%0.86679%0.794SS**  trans-77.5124.3166.7-80.4-49.5000108.3
234S32.4Very low28Very low107 Ų107154.2 Ų154.275%0.74880%0.804SS**  trans-150.898.8157.667.50000112
235D23.1Very low27.8Very low146 Ų146151.8 Ų151.878%0.78180%0.796SS**  trans-36.8126.3140.2-179.323.4000112.1
236V27.7Very low27.9Very low115 Ų115147.9 Ų147.970%0.69779%0.786SS**  166.1142.4114.8-76.60000113.6
237S27.8Very low27.7Very low110 Ų110147 Ų14777%0.76979%0.786SS**  trans84.1104.8145.3-70.40000122
238D24.1Very low27.8Very low148 Ų148143 Ų14379%0.79178%0.777SS**  35.7110.4113.3-110.4-4.8000118.2
239D30.1Very low27.7Very low144 Ų144139.1 Ų139.177%0.7776%0.764SS**  178.4120.5115.5-94.1-36.7000111.5
240E26.3Very low27.9Very low180 Ų180134 Ų13484%0.84175%0.753SS**  trans53.8121.9135.3-149.8150.3144.700123.3
241A28.7Very low27.7Very low101 Ų101131 Ų13184%0.83575%0.748SS**  trans56.587.7145.400000119.4
242G30Very low27.8Very low66 Ų66126.7 Ų126.768%0.6874%0.735SS**  trans-164.985.1160.400000110.1D244G242-D244 PolarHBondContact O-N 2.83Å
243E28.7Very low27.3Very low179 Ų179126.9 Ų126.984%0.83674%0.736SS**  trans-68.366.7169.3-74.1-103.4160.600109.8
244D28.2Very low27.3Very low151 Ų151126.4 Ų126.481%0.80773%0.73SS**  trans-107.179.2166.9-79.7-31.9000107.3G242G242-D244 PolarHBondContact O-N 2.83Å
245L26.8Very low27Very low133 Ų133124.2 Ų124.270%0.69672%0.724SS**  trans-58.4122.6171.1-68.4173.4000108.2L247L245-L247 PolarHBondContact O-N 3.44Å
246P26.4Very low27.5Very low88 Ų88124 Ų12457%0.57172%0.722SS**  trans-63141.6-174.224.1-32.2000110S248 S249P246-S248 PolarHBondContact O-N 3.17Å; P246-S248 PolarHBondContact O-OG 3.35Å; P246-S249 PolarHBondContact O-N 3.45Å; P246-S249 VanDerWaalsContact O-N 3.08Å
247L26.2Very low27.5Very low151 Ų151127.8 Ų127.879%0.79173%0.73SS**THydrogen-bonded Turntrans-48.4-9.9-179.5-109.697.6000115.4L245 S249L245-L247 PolarHBondContact O-N 3.44Å; L247-S249 PolarHBondContact O-N 2.86Å
248S28.9Very low27.5Very low92 Ų92126.7 Ų126.764%0.64372%0.721SS**THydrogen-bonded Turntrans-65.8-14.3171.651.80000114.5P246P246-S248 PolarHBondContact O-N 3.17Å; P246-S248 PolarHBondContact O-OG 3.35Å
249S27.2Very low27.7Very low66 Ų66127.9 Ų127.946%0.46272%0.722SS.*THydrogen-bonded Turntrans-85.1-27.1177.8-175.50000114.1P246 L247 H251 A252P246-S249 PolarHBondContact O-N 3.45Å; P246-S249 VanDerWaalsContact O-N 3.08Å; L247-S249 PolarHBondContact O-N 2.86Å; S249-H251 PolarHBondContact O-N 3.14Å; S249-A252 PolarHBondContact O-N 3.08Å; S249-A252 VanDerWaalsContact O-N 3.1Å
250I25.5Very low28.1Very low129 Ų129126 Ų12666%0.66272%0.72SS**THydrogen-bonded Turntrans-66.9-25.3-179.5-61.1179.3000111.2
251H27.1Very low29.3Very low170 Ų170119.4 Ų119.479%0.78769%0.69SS**THydrogen-bonded Turntrans-84.3-17.7174.9-86.7-148.5000114.6S249S249-H251 PolarHBondContact O-N 3.14Å
252A28.1Very low31Very low70 Ų70117.8 Ų117.858%0.57967%0.671SS**THydrogen-bonded Turntrans-85.7-28-176.100000113.3S249S249-A252 PolarHBondContact O-N 3.08Å; S249-A252 VanDerWaalsContact O-N 3.1Å
253N25.2Very low32.7Very low156 Ų156119.5 Ų119.583%0.83468%0.679SS**THydrogen-bonded Turntrans-89.9-1-179.3-98.428.7000115G255N253-G255 VanDerWaalsContact C-N 3.25Å
254M25.5Very low35.1Very low153 Ų153113.3 Ų113.375%0.75465%0.651SS**THydrogen-bonded Turntrans-94.930.3168.8-158.385.3140.100111.3
255G26.3Very low37.6Very low60 Ų60108.2 Ų108.262%0.61963%0.627SS**  trans-102.280.6170.800000110.7N253N253-G255 VanDerWaalsContact C-N 3.25Å
256L32.5Very low40.2Very low141 Ų141106.5 Ų106.574%0.73862%0.624SS**SBendtrans-148.1-14.3154.4-147.657.6000118.1
257F28.6Very low43.1Very low196 Ų196103.2 Ų103.286%0.8660%0.604SS**SBendtrans-144.219.7179.4-70.6-73.3000117.4
258C26.4Very low46Very low87 Ų8797.4 Ų97.459%0.58858%0.576SS**  trans-119.1104.9164.951.30000108.9S260C258-S260 PolarHBondContact O-N 3.39Å
259H28.2Very low48.9Very low173 Ų17395.8 Ų95.880%0.80156%0.56SS**  trans-60.692.9151.1-63.486000104.9N261H259-N261 PolarHBondContact O-N 3.46Å
260S39.1Very low52Low105 Ų10597.2 Ų97.273%0.73456%0.555SS**  trans-60110.2169.642.90000105.7C258C258-S260 PolarHBondContact O-N 3.39Å
261N52.9Low55.1Low41 Ų4194.3 Ų94.322%0.21954%0.541CS..PPolyproline II helixtrans-56.3149.6172.5-82.90.7000108.4H259 A263 W331 R395 D397H259-N261 PolarHBondContact O-N 3.46Å; N261-A263 PolarHBondContact O-N 2.97Å; N261-W331 HydrophobicContact CB-CH2 4.35Å; N261-W331 HydrophobicContact CB-CZ2 3.89Å; N261-W331 PolarHBondContact ND2-NE1 3.36Å; N261-R395 PolarHBondContact ND2-NH1 3.01Å; N261-R395 PolarHBondContact ND2-NH2 3.37Å; N261-R395 PolarHBondContact OD1-NH1 3.4Å; N261-R395 VanDerWaalsContact OD1-NH1 3.17Å; N261-D397 PolarHBondContact ND2-OD2 3.2Å
262P63.1Low58Low67 Ų6789.6 Ų89.644%0.43552%0.517SS..PPolyproline II helixtrans-47.6140.2170.6-21.227.3000110.6I264 W331 P419P262-I264 PolarHBondContact O-N 3.32Å; P262-W331 HydrophobicContact CB-CH2 4.26Å; P262-W331 VanDerWaalsContact CD-CH2 3.46Å; P262-W331 HydrophobicContact CG-CH2 3.74Å; P262-W331 HydrophobicContact CG-CZ3 4Å; P262-P419 WeakPolarHBondContact CB-O 3.25Å; P262-P419 WeakPolarHBondContact CG-O 3.37Å
263A66.4Low61Low101 Ų10193.6 Ų93.684%0.83552%0.523SS*.PPolyproline II helixtrans-57.1123.417200000109.6N261N261-A263 PolarHBondContact O-N 2.97Å
264I78.6Confident64.2Low50 Ų5088.4 Ų88.426%0.25650%0.496SS..PPolyproline II helixtrans-82.8121.9179.6-59.9-178.8000108.3P262 W331 D397 I399 H416 P419P262-I264 PolarHBondContact O-N 3.32Å; I264-W331 HydrophobicContact CD1-CZ2 4.2Å; I264-W331 HydrophobicContact CG1-CZ2 4.34Å; I264-D397 HydrophobicContact CD1-CB 3.34Å; I264-I399 HydrophobicContact CG2-CG1 4.03Å; I264-H416 WeakPolarHBondContact CG2-NE2 3.13Å; I264-P419 HydrophobicContact CG1-CB 3.92Å; I264-P419 HydrophobicContact CG1-CG 4.49Å
265S79.9Confident67.5Low44 Ų4481.8 Ų81.831%0.30846%0.463SS..PPolyproline II helixtrans-67.6151.4174.552.90000111.4H416S265-H416 PolarHBondContact O-CD2 3.21Å; S265-H416 VanDerWaalsContact O-CD2 3.3Å; S265-H416 PolarHBondContact O-NE2 2.92Å
266P82.7Confident70.7Confident96 Ų9685.1 Ų85.162%0.62347%0.467SS*.PPolyproline II helixtrans-64.1147.6171.827.7-34.3000111.5
267A86.8Confident73.7Confident20 Ų2084.1 Ų84.117%0.16546%0.458CS..PPolyproline II helixtrans-73.4147.4170.500000111.4W314 I399 I400 H416A267-W314 HydrophobicContact CB-CH2 4.01Å; A267-W314 HydrophobicContact CB-CZ2 4.38Å; A267-I399 HydrophobicContact CB-CG2 3.84Å; A267-I400 HydrophobicContact CB-CD1 3.67Å; A267-I400 HydrophobicContact CB-CG1 3.88Å; A267-H416 HydrophobicContact CB-CB 4.33Å
268S86.4Confident76.8Confident28 Ų2875 Ų7520%0.19642%0.418CS..EExtended strand (participates in β ladder)trans-93.6135.5168.8-60.80000109.4G414 S415S268-G414 CarbonylContact O-C 3.42Å; S268-G414 WeakPolarHBondContact O-CA 3.29Å; S268-S415 PolarHBondContact N-O 3.24Å; S268-S415 PolarHBondContact O-N 2.92Å
269L90.7Very high80.1Confident59 Ų5971.8 Ų71.831%0.30939%0.394SS..EExtended strand (participates in β ladder)trans-133.8138-173.7-68168.7000109.7W314 I400 Y412 A413L269-W314 HydrophobicContact CD2-CZ2 3.89Å; L269-I400 HydrophobicContact CD1-CD1 4.24Å; L269-I400 HydrophobicContact CD2-CD1 3.82Å; L269-I400 HydrophobicContact CG-CD1 4.36Å; L269-Y412 WeakPolarHBondContact CD1-OH 3.29Å; L269-Y412 HydrophobicContact CD2-CE1 3.65Å; L269-A413 WeakPolarHBondContact CA-O 3.48Å
270W91.2Very high83.3Confident95 Ų9566.1 Ų66.136%0.3638%0.377SS..EExtended strand (participates in β ladder)trans-156.8161.117663.592.4000110.6F313 A413W270-F313 HydrophobicContact CH2-CD1 4.16Å; W270-F313 HydrophobicContact CH2-CE1 4.35Å; W270-A413 HydrophobicContact CD2-CB 4.25Å; W270-A413 HydrophobicContact CG-CB 4.38Å; W270-A413 HydrophobicContact CZ2-CB 4.03Å; W270-A413 PolarHBondContact N-O 3.15Å; W270-A413 CarbonylContact O-C 3.4Å; W270-A413 WeakPolarHBondContact O-CA 3.33Å; W270-A413 WeakPolarHBondContact O-CB 3.35Å; W270-A413 PolarHBondContact O-N 2.78Å
271N90.2Very high85.9Confident69 Ų6964.3 Ų64.337%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-117.3154.2-177.4-53.3-6.1000110.7E410 V411 Y412N271-E410 HydrophobicContact CB-CG 4.16Å; N271-E410 WeakPolarHBondContact CB-OE2 3.18Å; N271-E410 PolarHBondContact ND2-OE1 3.39Å; N271-E410 PolarHBondContact ND2-OE2 3.17Å; N271-E410 VanDerWaalsContact ND2-OE2 3.17Å; N271-V411 CarbonylContact C-O 3.46Å; N271-V411 VanDerWaalsContact CA-O 3.29Å; N271-V411 WeakPolarHBondContact CA-O 3.2Å; N271-Y412 WeakPolarHBondContact OD1-CD2 3.39Å; N271-Y412 VanDerWaalsContact OD1-CE2 3.28Å; N271-Y412 WeakPolarHBondContact OD1-CE2 3.33Å
272R88.8Confident87.9Confident71 Ų7162.6 Ų62.627%0.26835%0.35SS..EExtended strand (participates in β ladder)trans-128.3144175-52.7157.850.8172.8-0.9111.2D274 E315 E410 V411R272-D274 WeakPolarHBondContact CB-OD1 3.3Å; R272-D274 IonicContact CZ-OD1 3.95Å; R272-D274 IonicContact CZ-OD2 3.02Å; R272-D274 IonicContact NE-OD1 3.97Å; R272-D274 PolarHBondContact NE-OD1 3.41Å; R272-D274 IonicContact NE-OD2 2.71Å; R272-D274 IonicContact NH2-OD1 2.64Å; R272-D274 PolarHBondContact NH2-OD1 2.87Å; R272-D274 IonicContact NH2-OD2 3.95Å; R272-D274 PolarHBondContact NH2-OD2 3.35Å; R272-E315 VanDerWaalsContact NH1-CD 3.3Å; R272-E315 IonicContact NH1-OE1 3.49Å; R272-E315 PolarHBondContact NH1-OE1 2.99Å; R272-E315 VanDerWaalsContact NH1-OE1 3.12Å; R272-E315 IonicContact NH1-OE2 2.86Å; R272-E315 PolarHBondContact NH1-OE2 3.42Å; R272-E315 VanDerWaalsContact NH1-OE2 3.16Å; R272-E410 WeakPolarHBondContact O-CB 3.41Å; R272-V411 HydrophobicContact CB-CB 4.14Å; R272-V411 PolarHBondContact N-O 3.47Å; R272-V411 PolarHBondContact O-N 3.42Å
273Q91.3Very high89.3Confident154 Ų15464.7 Ų64.772%0.7235%0.352SS*.SBendtrans-87.9-5.1-175.3-62.7-66.6-43.600113.3I275 E410Q273-I275 PolarHBondContact O-N 3.13Å; Q273-I275 VanDerWaalsContact O-N 3.13Å; Q273-E410 PolarHBondContact NE2-OE2 2.89Å
274D91.5Very high90.6Very high47 Ų4768.2 Ų68.225%0.25135%0.349SS..  trans-88.441.8-175.364.3-32.9000113.4R272 N276 E277 F278R272-D274 WeakPolarHBondContact CB-OD1 3.3Å; R272-D274 IonicContact CZ-OD1 3.95Å; R272-D274 IonicContact CZ-OD2 3.02Å; R272-D274 IonicContact NE-OD1 3.97Å; R272-D274 PolarHBondContact NE-OD1 3.41Å; R272-D274 IonicContact NE-OD2 2.71Å; R272-D274 IonicContact NH2-OD1 2.64Å; R272-D274 PolarHBondContact NH2-OD1 2.87Å; R272-D274 IonicContact NH2-OD2 3.95Å; R272-D274 PolarHBondContact NH2-OD2 3.35Å; D274-N276 VanDerWaalsContact C-N 3.33Å; D274-N276 PolarHBondContact O-N 3.16Å; D274-E277 HydrophobicContact CB-CB 4.41Å; D274-E277 PolarHBondContact O-N 3.42Å; D274-E277 VanDerWaalsContact O-N 3.17Å; D274-F278 PolarHBondContact O-N 2.98Å
275I94.6Very high91Very high14 Ų1471.4 Ų71.47%0.07237%0.367CS..Hα-helixtrans-56.9-40.5-174.3-171.2169.5000114.1Q273 F278 K279 A317 H408 V411Q273-I275 PolarHBondContact O-N 3.13Å; Q273-I275 VanDerWaalsContact O-N 3.13Å; I275-F278 PolarHBondContact O-N 3.36Å; I275-K279 HydrophobicContact CG1-CD 4.13Å; I275-K279 HydrophobicContact CG1-CG 4.47Å; I275-K279 WeakPolarHBondContact O-CB 3.48Å; I275-K279 VanDerWaalsContact O-CG 3.32Å; I275-K279 WeakPolarHBondContact O-CG 3.41Å; I275-K279 PolarHBondContact O-N 3.38Å; I275-A317 HydrophobicContact CD1-CB 4.08Å; I275-A317 HydrophobicContact CG1-CB 3.95Å; I275-H408 VanDerWaalsContact CD1-C 3.43Å; I275-H408 WeakPolarHBondContact CD1-O 3.03Å; I275-V411 HydrophobicContact CB-CG2 4.13Å; I275-V411 HydrophobicContact CG1-CG2 4.39Å
276N94.2Very high91.2Very high129 Ų12970.8 Ų70.869%0.6937%0.367SS*.Hα-helixtrans-68.1-39.4-179.3-68.6-40.4000111.7D274 A280D274-N276 VanDerWaalsContact C-N 3.33Å; D274-N276 PolarHBondContact O-N 3.16Å; N276-A280 WeakPolarHBondContact O-CB 3.2Å; N276-A280 PolarHBondContact O-N 2.95Å; N276-A280 VanDerWaalsContact O-N 3.09Å
277E94.8Very high91.3Very high120 Ų12073.7 Ų73.756%0.56137%0.372SS*.Hα-helixtrans-68.7-44.1176.8-175.9176.7169.400110.6D274 A280 N281D274-E277 HydrophobicContact CB-CB 4.41Å; D274-E277 PolarHBondContact O-N 3.42Å; D274-E277 VanDerWaalsContact O-N 3.17Å; E277-A280 PolarHBondContact O-N 2.89Å; E277-N281 WeakPolarHBondContact O-CB 3.18Å; E277-N281 VanDerWaalsContact O-CG 3.28Å; E277-N281 PolarHBondContact O-N 3.06Å; E277-N281 PolarHBondContact O-ND2 3.31Å
278F95.7Very high91.2Very high4 Ų480.4 Ų80.42%0.01840%0.4CS..Hα-helixtrans-55.9-53.8174.9175.1-101.7000111.8D274 I275 A280 N281 I282 E315 A317 V411D274-F278 PolarHBondContact O-N 2.98Å; I275-F278 PolarHBondContact O-N 3.36Å; F278-A280 VanDerWaalsContact C-N 3.29Å; F278-A280 PolarHBondContact O-N 2.64Å; F278-N281 PolarHBondContact O-N 3.02Å; F278-N281 VanDerWaalsContact O-N 3.15Å; F278-I282 HydrophobicContact CD1-CG1 4.47Å; F278-I282 HydrophobicContact CD2-CG1 4.39Å; F278-I282 HydrophobicContact CE1-CG1 4.07Å; F278-I282 HydrophobicContact CE2-CD1 4.02Å; F278-I282 HydrophobicContact CE2-CG1 3.99Å; F278-I282 HydrophobicContact CZ-CD1 4.09Å; F278-I282 HydrophobicContact CZ-CG1 3.81Å; F278-I282 WeakPolarHBondContact O-CG1 3.22Å; F278-I282 PolarHBondContact O-N 2.94Å; F278-E315 HydrophobicContact CE2-CB 3.71Å; F278-E315 HydrophobicContact CZ-CB 4.03Å; F278-A317 HydrophobicContact CD1-CB 3.83Å; F278-A317 HydrophobicContact CE1-CB 3.88Å; F278-V411 HydrophobicContact CB-CG2 3.59Å; F278-V411 HydrophobicContact CD1-CG1 4.06Å; F278-V411 HydrophobicContact CD1-CG2 3.94Å; F278-V411 HydrophobicContact CD2-CG1 4.06Å; F278-V411 HydrophobicContact CE1-CG1 4.22Å; F278-V411 HydrophobicContact CE2-CG1 4.22Å; F278-V411 HydrophobicContact CG-CG1 3.98Å; F278-V411 HydrophobicContact CG-CG2 3.77Å; F278-V411 HydrophobicContact CZ-CG1 4.3Å
279K94.6Very high91.4Very high21 Ų2179.8 Ų79.89%0.09140%0.398CS..Hα-helixtrans-58-40.4178.2-71.5173.2178.2171.60112.1I275 K283 T318 Y441I275-K279 HydrophobicContact CG1-CD 4.13Å; I275-K279 HydrophobicContact CG1-CG 4.47Å; I275-K279 WeakPolarHBondContact O-CB 3.48Å; I275-K279 VanDerWaalsContact O-CG 3.32Å; I275-K279 WeakPolarHBondContact O-CG 3.41Å; I275-K279 PolarHBondContact O-N 3.38Å; K279-K283 VanDerWaalsContact O-CG 3.27Å; K279-K283 WeakPolarHBondContact O-CG 3.17Å; K279-K283 PolarHBondContact O-N 2.87Å; K279-K283 VanDerWaalsContact O-N 3.08Å; K279-T318 WeakPolarHBondContact CE-O 3.34Å; K279-T318 PolarHBondContact NZ-O 3.37Å; K279-Y441 HydrophobicContact CB-CD1 4.49Å; K279-Y441 HydrophobicContact CD-CD2 4.31Å; K279-Y441 HydrophobicContact CD-CE2 4.25Å; K279-Y441 HydrophobicContact CG-CD1 4.46Å; K279-Y441 HydrophobicContact CG-CD2 3.83Å; K279-Y441 HydrophobicContact CG-CE2 4.13Å; K279-Y441 HydrophobicContact CG-CG 4.01Å
280A94.5Very high91.6Very high54 Ų5479.6 Ų79.645%0.44640%0.396SS..Hα-helixtrans-66-40.317800000112.4N276 E277 F278 K283 K284N276-A280 WeakPolarHBondContact O-CB 3.2Å; N276-A280 PolarHBondContact O-N 2.95Å; N276-A280 VanDerWaalsContact O-N 3.09Å; E277-A280 PolarHBondContact O-N 2.89Å; F278-A280 VanDerWaalsContact C-N 3.29Å; F278-A280 PolarHBondContact O-N 2.64Å; A280-K283 PolarHBondContact O-N 2.81Å; A280-K284 WeakPolarHBondContact O-CB 2.97Å; A280-K284 PolarHBondContact O-N 3.36Å; A280-K284 VanDerWaalsContact O-N 3.07Å
281N94.3Very high91.7Very high66 Ų6676.1 Ų76.135%0.35339%0.385SS..Hα-helixtrans-65.5-46177-72.4-26000111.5E277 F278 K283 K284 D285E277-N281 WeakPolarHBondContact O-CB 3.18Å; E277-N281 VanDerWaalsContact O-CG 3.28Å; E277-N281 PolarHBondContact O-N 3.06Å; E277-N281 PolarHBondContact O-ND2 3.31Å; F278-N281 PolarHBondContact O-N 3.02Å; F278-N281 VanDerWaalsContact O-N 3.15Å; N281-K283 VanDerWaalsContact C-N 3.33Å; N281-K283 PolarHBondContact O-N 3.05Å; N281-K284 WeakPolarHBondContact O-CB 3.3Å; N281-K284 PolarHBondContact O-N 2.77Å; N281-D285 PolarHBondContact O-N 3.13Å
282I94.7Very high91.9Very high5 Ų579.6 Ų79.63%0.02640%0.397CS..Hα-helixtrans-59.8-43.8176.2-61.1-57.9000111.3F278 K284 D285 G286 G289 I290 Y441 R443F278-I282 HydrophobicContact CD1-CG1 4.47Å; F278-I282 HydrophobicContact CD2-CG1 4.39Å; F278-I282 HydrophobicContact CE1-CG1 4.07Å; F278-I282 HydrophobicContact CE2-CD1 4.02Å; F278-I282 HydrophobicContact CE2-CG1 3.99Å; F278-I282 HydrophobicContact CZ-CD1 4.09Å; F278-I282 HydrophobicContact CZ-CG1 3.81Å; F278-I282 WeakPolarHBondContact O-CG1 3.22Å; F278-I282 PolarHBondContact O-N 2.94Å; I282-K284 PolarHBondContact O-N 3.01Å; I282-D285 PolarHBondContact O-N 3.33Å; I282-G286 PolarHBondContact O-N 3.43Å; I282-G289 WeakPolarHBondContact CG2-O 3.41Å; I282-I290 HydrophobicContact CG2-CD1 4.5Å; I282-I290 HydrophobicContact CG2-CG1 3.79Å; I282-Y441 HydrophobicContact CB-CD1 4.24Å; I282-Y441 HydrophobicContact CG2-CD1 4.04Å; I282-R443 HydrophobicContact CD1-CB 3.88Å
283K92.9Very high92Very high111 Ų11176.2 Ų76.248%0.48338%0.384SS..Hα-helixtrans-60.7-32.6175.4-73.6174-173.9-178.90113.4K279 A280 N281 I290 Y441K279-K283 VanDerWaalsContact O-CG 3.27Å; K279-K283 WeakPolarHBondContact O-CG 3.17Å; K279-K283 PolarHBondContact O-N 2.87Å; K279-K283 VanDerWaalsContact O-N 3.08Å; A280-K283 PolarHBondContact O-N 2.81Å; N281-K283 VanDerWaalsContact C-N 3.33Å; N281-K283 PolarHBondContact O-N 3.05Å; K283-I290 HydrophobicContact CB-CD1 4.47Å; K283-I290 HydrophobicContact CG-CD1 3.78Å; K283-Y441 HydrophobicContact CD-CE1 4.2Å; K283-Y441 VanDerWaalsContact CE-CZ 3.44Å; K283-Y441 WeakPolarHBondContact CE-OH 3.46Å; K283-Y441 HydrophobicContact CG-CE1 3.87Å; K283-Y441 PolarHBondContact NZ-OH 2.78Å; K283-Y441 VanDerWaalsContact NZ-OH 3.11Å
284K93.1Very high91.7Very high175 Ų17569.4 Ų69.476%0.76136%0.355SS*.Hα-helixtrans-75.3-36.2178.7-174.4-175.4175.6-171.60111.9A280 N281 I282 G286A280-K284 WeakPolarHBondContact O-CB 2.97Å; A280-K284 PolarHBondContact O-N 3.36Å; A280-K284 VanDerWaalsContact O-N 3.07Å; N281-K284 WeakPolarHBondContact O-CB 3.3Å; N281-K284 PolarHBondContact O-N 2.77Å; I282-K284 PolarHBondContact O-N 3.01Å; K284-G286 VanDerWaalsContact C-N 3.28Å; K284-G286 PolarHBondContact O-N 3.12Å
285D88.5Confident91.2Very high118 Ų11872 Ų7263%0.63137%0.365SS*.Hα-helixtrans-73.3-20.8-179.3-68-13.5000112.4N281 I282N281-D285 PolarHBondContact O-N 3.13Å; I282-D285 PolarHBondContact O-N 3.33Å
286G83.5Confident90.5Very high30 Ų3072.5 Ų72.531%0.30937%0.374SS..  trans137.4-159.3170.800000113.2I282 K284I282-G286 PolarHBondContact O-N 3.43Å; K284-G286 VanDerWaalsContact C-N 3.28Å; K284-G286 PolarHBondContact O-N 3.12Å
287H84.5Confident90Very high157 Ų15768.6 Ų68.673%0.72735%0.351SS*.SBendtrans-92.3-11.6177.263.4-82.1000113.2G289 I290H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact O-N 3.36Å; H287-I290 PolarHBondContact O-N 2.97Å; H287-I290 VanDerWaalsContact O-N 3.07Å
288E84.9Confident89.8Confident162 Ų16264 Ų6476%0.75733%0.331SS*.THydrogen-bonded Turntrans-61.4-33.9-176.4-66-176.5168.600112.9Y442E288-Y442 WeakPolarHBondContact O-CE1 3.29Å; E288-Y442 PolarHBondContact O-OH 2.92Å
289G91Very high89.7Confident15 Ų1563.8 Ų63.816%0.15533%0.33CS..THydrogen-bonded Turntrans-89.39.6177.200000114.7I282 H287 Y441 Y442I282-G289 WeakPolarHBondContact CG2-O 3.41Å; H287-G289 VanDerWaalsContact C-N 3.27Å; H287-G289 PolarHBondContact O-N 3.36Å; G289-Y441 CarbonylContact O-C 3.48Å; G289-Y441 VanDerWaalsContact O-CA 3.3Å; G289-Y441 WeakPolarHBondContact O-CA 3.33Å; G289-Y442 WeakPolarHBondContact CA-O 3.3Å; G289-Y442 WeakPolarHBondContact O-CD1 3.37Å; G289-Y442 PolarHBondContact O-N 2.99Å
290I95.5Very high89.7Confident54 Ų5463.5 Ų63.528%0.27733%0.331SS..EExtended strand (participates in β ladder)trans-123.4114.4-175.6-52.1177.8000110I282 K283 H287 T439 L440 Y441I282-I290 HydrophobicContact CG2-CD1 4.5Å; I282-I290 HydrophobicContact CG2-CG1 3.79Å; K283-I290 HydrophobicContact CB-CD1 4.47Å; K283-I290 HydrophobicContact CG-CD1 3.78Å; H287-I290 PolarHBondContact O-N 2.97Å; H287-I290 VanDerWaalsContact O-N 3.07Å; I290-T439 HydrophobicContact CG2-CG2 3.87Å; I290-L440 CarbonylContact C-O 3.59Å; I290-L440 WeakPolarHBondContact CA-O 3.4Å; I290-Y441 HydrophobicContact CD1-CD1 4.17Å; I290-Y441 HydrophobicContact CD1-CE1 3.91Å; I290-Y441 HydrophobicContact CG1-CD1 3.85Å; I290-Y441 HydrophobicContact CG1-CE1 4.02Å; I290-Y441 HydrophobicContact CG2-CD1 4.49Å; I290-Y441 HydrophobicContact CG2-CE1 4.2Å
291I93.1Very high89.7Confident23 Ų2361 Ų6112%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-124137.3179.9-59.1166.7000109.7V299 V301 V341 L440 Y442I291-V299 HydrophobicContact CD1-CG1 4.33Å; I291-V299 HydrophobicContact CG2-CG1 4.22Å; I291-V299 HydrophobicContact CG2-CG2 4.28Å; I291-V301 HydrophobicContact CD1-CG2 4.13Å; I291-V341 HydrophobicContact CD1-CG1 3.8Å; I291-V341 HydrophobicContact CD1-CG2 3.9Å; I291-L440 PolarHBondContact N-O 2.88Å; I291-L440 WeakPolarHBondContact O-CB 3.48Å; I291-L440 PolarHBondContact O-N 3.23Å; I291-Y442 HydrophobicContact CD1-CD1 3.88Å; I291-Y442 HydrophobicContact CD1-CE1 3.23Å; I291-Y442 HydrophobicContact CG1-CD1 4.31Å; I291-Y442 HydrophobicContact CG1-CE1 3.75Å
292K93.3Very high89.8Confident142 Ų14260.4 Ų60.462%0.61730%0.302SS*.EExtended strand (participates in β ladder)trans-93.9117.4168.5-172.7-178.3-179.9-172.60108.7S437 K438K292-S437 WeakPolarHBondContact CE-OG 3.49Å; K292-K438 CarbonylContact C-O 3.45Å; K292-K438 WeakPolarHBondContact CA-O 3.3Å
293V92.4Very high89.7Confident0 Ų060.1 Ų60.10%030%0.301CS..EExtended strand (participates in β ladder)trans-94111.8173.3-169.60000107.7E297 V299 I323 F428 N430 S437 K438 L440V293-E297 HydrophobicContact CG1-CB 4.37Å; V293-V299 HydrophobicContact CB-CG2 4.33Å; V293-V299 HydrophobicContact CG1-CG2 4.02Å; V293-V299 HydrophobicContact CG2-CB 4.21Å; V293-V299 HydrophobicContact CG2-CG2 3.92Å; V293-I323 HydrophobicContact CB-CD1 4.2Å; V293-I323 HydrophobicContact CG1-CD1 4.35Å; V293-I323 HydrophobicContact CG2-CD1 3.88Å; V293-F428 HydrophobicContact CG2-CB 4.48Å; V293-N430 HydrophobicContact CB-CB 4.33Å; V293-N430 HydrophobicContact CG1-CB 3.46Å; V293-N430 VanDerWaalsContact CG1-CB 3.46Å; V293-N430 PolarHBondContact O-ND2 3.33Å; V293-S437 CarbonylContact O-C 3.57Å; V293-S437 WeakPolarHBondContact O-CA 3.24Å; V293-S437 WeakPolarHBondContact O-CB 3.17Å; V293-K438 PolarHBondContact N-O 3.02Å; V293-K438 PolarHBondContact O-N 3.34Å; V293-L440 HydrophobicContact CG2-CB 4.35Å
294G84.5Confident89.7Confident10 Ų1055.2 Ų55.210%0.10328%0.28CS..  trans-64.9168.3176.800000112.6E297 N430G294-E297 VanDerWaalsContact CA-CD 3.42Å; G294-E297 WeakPolarHBondContact CA-OE2 3.31Å; G294-E297 PolarHBondContact N-OE2 3.19Å; G294-E297 WeakPolarHBondContact O-CB 3.36Å; G294-E297 PolarHBondContact O-N 2.94Å; G294-N430 WeakPolarHBondContact O-CB 3.37Å; G294-N430 PolarHBondContact O-ND2 2.87Å
295H81Confident89.6Confident103 Ų10347.5 Ų47.548%0.47725%0.248SC..THydrogen-bonded Turntrans-73.2143.6174.364.4-85.8000109.2E297 S433 L434H295-E297 PolarHBondContact O-N 2.82Å; H295-E297 VanDerWaalsContact O-N 3.14Å; H295-S433 WeakPolarHBondContact CB-O 3.09Å; H295-L434 PolarHBondContact CD2-O 3.45Å
296G78.8Confident89.3Confident24 Ų2444.8 Ų44.825%0.24723%0.231CC..THydrogen-bonded Turntrans73.3-7.1-173.500000114.2S346 N430 S433G296-S346 WeakPolarHBondContact O-CB 3.39Å; G296-S346 PolarHBondContact O-N 3.27Å; G296-N430 PolarHBondContact N-O 3.32Å; G296-N430 VanDerWaalsContact N-O 3.1Å; G296-S433 PolarHBondContact N-O 3.44Å
297E85.3Confident89.4Confident46 Ų4650.2 Ų50.222%0.21525%0.249CC..EExtended strand (participates in β ladder)trans-94.3149.6-175.9-65.5176-16800112.3V293 G294 H295 V343 S344 E345 N430 S431V293-E297 HydrophobicContact CG1-CB 4.37Å; G294-E297 VanDerWaalsContact CA-CD 3.42Å; G294-E297 WeakPolarHBondContact CA-OE2 3.31Å; G294-E297 PolarHBondContact N-OE2 3.19Å; G294-E297 WeakPolarHBondContact O-CB 3.36Å; G294-E297 PolarHBondContact O-N 2.94Å; H295-E297 PolarHBondContact O-N 2.82Å; H295-E297 VanDerWaalsContact O-N 3.14Å; E297-V343 HydrophobicContact CB-CG1 4.45Å; E297-V343 HydrophobicContact CG-CG1 4.34Å; E297-S344 CarbonylContact C-O 3.55Å; E297-S344 WeakPolarHBondContact CA-O 3.47Å; E297-E345 HydrophobicContact CG-CG 4.34Å; E297-N430 CarbonylContact O-C 3.59Å; E297-N430 VanDerWaalsContact O-C 3.28Å; E297-N430 VanDerWaalsContact O-CA 3.29Å; E297-N430 WeakPolarHBondContact O-CA 3.1Å; E297-N430 WeakPolarHBondContact O-CB 3.48Å; E297-N430 PolarHBondContact O-N 2.76Å; E297-S431 PolarHBondContact O-N 3.42Å
298T89.3Confident89.2Confident23 Ų2348.6 Ų48.614%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-118.9126.4163.7-63.20000109.1S344 F428 D429T298-S344 PolarHBondContact N-O 3.46Å; T298-S344 PolarHBondContact O-N 2.91Å; T298-F428 WeakPolarHBondContact CA-O 3.27Å; T298-D429 HydrophobicContact CG2-CB 4.44Å; T298-D429 PolarHBondContact OG1-OD1 3.31Å
299V94Very high89.1Confident0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-100.6125.7173171.40000109.4I291 V293 V301 V341 H342 V343 F428I291-V299 HydrophobicContact CD1-CG1 4.33Å; I291-V299 HydrophobicContact CG2-CG1 4.22Å; I291-V299 HydrophobicContact CG2-CG2 4.28Å; V293-V299 HydrophobicContact CB-CG2 4.33Å; V293-V299 HydrophobicContact CG1-CG2 4.02Å; V293-V299 HydrophobicContact CG2-CB 4.21Å; V293-V299 HydrophobicContact CG2-CG2 3.92Å; V299-V301 HydrophobicContact CG1-CG2 4.45Å; V299-V341 HydrophobicContact CG1-CG1 3.53Å; V299-H342 CarbonylContact C-O 3.56Å; V299-H342 WeakPolarHBondContact CA-O 3.34Å; V299-V343 HydrophobicContact CG2-CG1 4.26Å; V299-V343 HydrophobicContact CG2-CG2 4.15Å; V299-F428 HydrophobicContact CB-CB 4.41Å; V299-F428 PolarHBondContact N-O 3.47Å; V299-F428 PolarHBondContact O-N 3.12Å
300T94.8Very high88.8Confident16 Ų1643 Ų4310%0.09823%0.225CC..EExtended strand (participates in β ladder)trans-109.6114.2174-56.70000110.2R302 H342 L425 L426 K427T300-R302 HydrophobicContact CG2-CG 4.34Å; T300-H342 PolarHBondContact N-O 2.86Å; T300-H342 PolarHBondContact O-N 3.03Å; T300-L425 HydrophobicContact CG2-CB 3.84Å; T300-L425 HydrophobicContact CG2-CD2 4.28Å; T300-L426 WeakPolarHBondContact CA-O 3.39Å; T300-K427 HydrophobicContact CG2-CG 4.15Å
301V95.2Very high88.5Confident0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-87.6115.8171-176.80000108.6I291 V299 V303 V339 V341 L426 F428 Y442I291-V301 HydrophobicContact CD1-CG2 4.13Å; V299-V301 HydrophobicContact CG1-CG2 4.45Å; V301-V303 HydrophobicContact CG1-CG2 3.95Å; V301-V339 HydrophobicContact CG1-CG1 3.58Å; V301-V341 HydrophobicContact CG2-CG2 4.37Å; V301-L426 HydrophobicContact CB-CB 4.21Å; V301-L426 PolarHBondContact N-O 3.23Å; V301-L426 PolarHBondContact O-N 2.96Å; V301-F428 HydrophobicContact CG2-CD2 4.13Å; V301-F428 HydrophobicContact CG2-CE2 3.85Å; V301-Y442 HydrophobicContact CG1-CE2 3.81Å; V301-Y442 HydrophobicContact CG2-CE2 4.11Å
302R94.8Very high88.4Confident54 Ų5440.2 Ų40.220%0.20421%0.212CC..EExtended strand (participates in β ladder)trans-94.2119.4-179.7-62.1179.761.986.2-3.8109.7T300 E330 V339 S340 H342 I423 Y424 L425T300-R302 HydrophobicContact CG2-CG 4.34Å; R302-E330 IonicContact CZ-OE1 3.92Å; R302-E330 IonicContact CZ-OE2 2.71Å; R302-E330 IonicContact NH1-OE1 3.12Å; R302-E330 IonicContact NH1-OE2 3.66Å; R302-E330 PolarHBondContact NH1-OE2 3.18Å; R302-E330 IonicContact NH2-OE1 3.58Å; R302-E330 PolarHBondContact NH2-OE1 3.45Å; R302-E330 IonicContact NH2-OE2 3.16Å; R302-E330 PolarHBondContact NH2-OE2 2.99Å; R302-V339 WeakPolarHBondContact O-CA 3.35Å; R302-S340 PolarHBondContact N-O 2.9Å; R302-S340 PolarHBondContact O-N 2.99Å; R302-S340 VanDerWaalsContact O-N 3.12Å; R302-H342 WeakPolarHBondContact CD-CD2 3.23Å; R302-H342 WeakPolarHBondContact CD-NE2 3.33Å; R302-I423 HydrophobicContact CB-CG2 3.92Å; R302-I423 VanDerWaalsContact NH2-CD1 3.3Å; R302-Y424 CarbonylContact C-O 3.56Å; R302-Y424 WeakPolarHBondContact CA-O 3.37Å; R302-L425 HydrophobicContact CB-CD2 4.38Å; R302-L425 HydrophobicContact CG-CD2 3.75Å; R302-L425 VanDerWaalsContact NH1-CD2 3.27Å
303V94.3Very high88.3Confident0 Ų035.6 Ų35.60%019%0.191CC..EExtended strand (participates in β ladder)trans-123.2101.1-175.4-171.80000109.6V301 L312 V339 Y424 L426 V444 Y446V301-V303 HydrophobicContact CG1-CG2 3.95Å; V303-L312 HydrophobicContact CB-CD2 4.38Å; V303-L312 HydrophobicContact CG1-CD1 3.72Å; V303-L312 HydrophobicContact CG1-CD2 4.38Å; V303-V339 HydrophobicContact CG1-CG2 4.2Å; V303-V339 HydrophobicContact CG2-CG1 4.16Å; V303-V339 HydrophobicContact CG2-CG2 4.38Å; V303-Y424 PolarHBondContact N-O 3.28Å; V303-Y424 PolarHBondContact O-N 3.46Å; V303-L426 HydrophobicContact CG2-CD1 4.33Å; V303-V444 HydrophobicContact CG1-CG2 4.45Å; V303-V444 HydrophobicContact CG2-CB 4.44Å; V303-V444 HydrophobicContact CG2-CG1 4.26Å; V303-V444 HydrophobicContact CG2-CG2 4.09Å; V303-Y446 HydrophobicContact CG1-CE1 3.69Å; V303-Y446 WeakPolarHBondContact CG1-OH 3.48Å
304P92.8Very high88.5Confident7 Ų735.7 Ų35.75%0.04519%0.192CC..EExtended strand (participates in β ladder)trans-59.9142.7175.7-24.435000112.4H306 A334 S336 Q338 Y446P304-H306 PolarHBondContact O-N 3.18Å; P304-A334 HydrophobicContact CB-CB 3.85Å; P304-A334 HydrophobicContact CG-CB 3.75Å; P304-S336 WeakPolarHBondContact CG-O 3.21Å; P304-Q338 WeakPolarHBondContact CD-O 3.45Å; P304-Q338 WeakPolarHBondContact CG-O 3.46Å; P304-Y446 VanDerWaalsContact O-CE1 3.31Å; P304-Y446 WeakPolarHBondContact O-CE1 3.5Å; P304-Y446 PolarHBondContact O-OH 2.92Å
305T89.2Confident89.1Confident14 Ų1435.6 Ų35.69%0.08619%0.189CC..PPolyproline II helixtrans-66128.9170.654.20000110.3F329 Y418 R421 G422 Y424T305-F329 HydrophobicContact CG2-CE2 3.86Å; T305-F329 HydrophobicContact CG2-CZ 4.16Å; T305-Y418 HydrophobicContact CG2-CD1 4.23Å; T305-Y418 HydrophobicContact CG2-CD2 4.18Å; T305-Y418 HydrophobicContact CG2-CE1 4.34Å; T305-Y418 HydrophobicContact CG2-CE2 4.31Å; T305-Y418 HydrophobicContact CG2-CG 4.14Å; T305-R421 WeakPolarHBondContact OG1-CA 3.4Å; T305-G422 PolarHBondContact N-O 2.79Å; T305-G422 PolarHBondContact OG1-N 3.42Å; T305-G422 PolarHBondContact OG1-O 3.02Å; T305-G422 VanDerWaalsContact OG1-O 3.12Å; T305-Y424 HydrophobicContact CG2-CD2 4.21Å; T305-Y424 HydrophobicContact CG2-CE2 3.9Å
306H84.2Confident89.9Confident61 Ų6130.8 Ų30.828%0.28217%0.166SC..PPolyproline II helixtrans-83.8138.5176.4-166.2-87.9000111.7P304 N308 G309 N337 Y418 Y446P304-H306 PolarHBondContact O-N 3.18Å; H306-N308 VanDerWaalsContact C-N 3.27Å; H306-N308 PolarHBondContact ND1-N 2.94Å; H306-N308 PolarHBondContact O-N 2.89Å; H306-G309 PolarHBondContact O-N 3.42Å; H306-N337 PolarHBondContact CD2-ND2 3.22Å; H306-Y418 WeakPolarHBondContact O-CE2 3.23Å; H306-Y446 HydrophobicContact CB-CD1 4.26Å; H306-Y446 HydrophobicContact CB-CD2 3.97Å; H306-Y446 HydrophobicContact CB-CE1 4.34Å; H306-Y446 HydrophobicContact CB-CE2 4.11Å; H306-Y446 HydrophobicContact CB-CG 4.04Å
307E84.4Confident90.8Very high144 Ų14429.6 Ų29.667%0.67316%0.155SC*.THydrogen-bonded Turntrans-60.2-34.4-176.5-62-168.915000113.7G309 R421E307-G309 VanDerWaalsContact C-N 3.35Å; E307-R421 IonicContact OE1-CZ 3.12Å; E307-R421 IonicContact OE1-NH1 3.58Å; E307-R421 PolarHBondContact OE1-NH1 2.57Å
308N80.9Confident91.3Very high122 Ų12227.4 Ų27.465%0.65214%0.144SC*.THydrogen-bonded Turntrans-91.78.5176.6-58-26.6000113.4H306H306-N308 VanDerWaalsContact C-N 3.27Å; H306-N308 PolarHBondContact ND1-N 2.94Å; H306-N308 PolarHBondContact O-N 2.89Å
309G82.8Confident91.3Very high16 Ų1628.4 Ų28.417%0.16515%0.149CC..  trans-102.3160.3178.800000112H306 E307 Y418 S447H306-G309 PolarHBondContact O-N 3.42Å; E307-G309 VanDerWaalsContact C-N 3.35Å; G309-Y418 WeakPolarHBondContact O-CD2 3.34Å; G309-Y418 WeakPolarHBondContact O-CE2 3.45Å; G309-S447 WeakPolarHBondContact CA-O 3.25Å
310S84.7Confident91Very high45 Ų4533.8 Ų33.832%0.31517%0.173SC..SBendtrans-128.5-21.2173.1720000113.8Y418 S447S310-Y418 PolarHBondContact O-N 3Å; S310-S447 PolarHBondContact N-OG 3.47Å; S310-S447 VanDerWaalsContact N-OG 3.1Å; S310-S447 PolarHBondContact OG-OG 3.33Å
311C88.6Confident90.6Very high18 Ų1834.6 Ų34.612%0.12218%0.175CC..EExtended strand (participates in β ladder)trans-137.4147.7176.6-61.20000110.9F313 H416 Y446 S447C311-F313 HydrophobicContact CB-CD2 4.44Å; C311-F313 HydrophobicContact CB-CE2 3.76Å; C311-F313 HydrophobicContact CB-CZ 4.34Å; C311-H416 CarbonylContact C-O 3.51Å; C311-H416 VanDerWaalsContact CA-O 3.25Å; C311-H416 WeakPolarHBondContact CA-O 3.35Å; C311-Y446 WeakPolarHBondContact O-CA 3.44Å; C311-S447 PolarHBondContact N-OG 3.02Å; C311-S447 VanDerWaalsContact N-OG 3.1Å; C311-S447 PolarHBondContact O-N 3.31Å
312L91Very high90.5Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-97.6138.5166.1-178.367.2000108.7V303 W314 S415 H416 Y418 Y424 L426 V444 Y446V303-L312 HydrophobicContact CB-CD2 4.38Å; V303-L312 HydrophobicContact CG1-CD1 3.72Å; V303-L312 HydrophobicContact CG1-CD2 4.38Å; L312-W314 HydrophobicContact CD2-CE3 4.31Å; L312-W314 HydrophobicContact CG-CE3 4.28Å; L312-S415 CarbonylContact O-C 3.59Å; L312-S415 WeakPolarHBondContact O-CA 3.13Å; L312-H416 PolarHBondContact N-O 2.99Å; L312-H416 PolarHBondContact O-N 2.98Å; L312-Y418 HydrophobicContact CB-CE1 4.12Å; L312-Y424 HydrophobicContact CB-CD2 4.23Å; L312-Y424 HydrophobicContact CB-CE1 4.44Å; L312-Y424 HydrophobicContact CB-CE2 3.99Å; L312-Y424 HydrophobicContact CD2-CD1 3.72Å; L312-Y424 HydrophobicContact CD2-CD2 3.68Å; L312-Y424 HydrophobicContact CD2-CE1 4.28Å; L312-Y424 HydrophobicContact CD2-CE2 4.25Å; L312-Y424 HydrophobicContact CD2-CG 3.38Å; L312-L426 HydrophobicContact CD2-CD1 3.95Å; L312-V444 HydrophobicContact CD1-CB 4.38Å; L312-Y446 HydrophobicContact CD1-CD1 3.9Å; L312-Y446 HydrophobicContact CD1-CE1 3.87Å
313F92.5Very high90.4Very high44 Ų4433 Ų3319%0.19317%0.17CC..EExtended strand (participates in β ladder)trans-118.3145.6170-65.4-100.9000109.6W270 C311 G414 S415 V444 Y445W270-F313 HydrophobicContact CH2-CD1 4.16Å; W270-F313 HydrophobicContact CH2-CE1 4.35Å; C311-F313 HydrophobicContact CB-CD2 4.44Å; C311-F313 HydrophobicContact CB-CE2 3.76Å; C311-F313 HydrophobicContact CB-CZ 4.34Å; F313-G414 WeakPolarHBondContact CA-O 3.38Å; F313-S415 VanDerWaalsContact CD1-CB 3.47Å; F313-S415 VanDerWaalsContact CE1-CB 3.45Å; F313-V444 VanDerWaalsContact O-CA 3.3Å; F313-V444 WeakPolarHBondContact O-CA 3.49Å; F313-Y445 HydrophobicContact CB-CD1 4.15Å; F313-Y445 HydrophobicContact CB-CD2 3.6Å; F313-Y445 HydrophobicContact CB-CE1 3.86Å; F313-Y445 HydrophobicContact CB-CE2 3.25Å; F313-Y445 HydrophobicContact CB-CG 4.04Å; F313-Y445 VanDerWaalsContact CB-CZ 3.41Å; F313-Y445 HydrophobicContact CD1-CE2 4.01Å; F313-Y445 HydrophobicContact CD2-CD2 4.08Å; F313-Y445 AromaticContact CD2-CE2 3.95Å; F313-Y445 HydrophobicContact CD2-CE2 3.95Å; F313-Y445 AromaticContact CG-CD2 3.97Å; F313-Y445 HydrophobicContact CG-CD2 3.97Å; F313-Y445 AromaticContact CG-CE2 3.47Å; F313-Y445 HydrophobicContact CG-CE2 3.47Å; F313-Y445 VanDerWaalsContact CG-CE2 3.47Å; F313-Y445 AromaticContact CG-CZ 3.99Å; F313-Y445 PolarHBondContact N-O 3.36Å; F313-Y445 PolarHBondContact O-N 2.78Å
314W96Very high90.4Very high2 Ų233 Ų331%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-138.3148.7174.360.185.4000110.9A267 L269 L312 F325 V327 I400 A413 G414 H416 L426 R443 V444A267-W314 HydrophobicContact CB-CH2 4.01Å; A267-W314 HydrophobicContact CB-CZ2 4.38Å; L269-W314 HydrophobicContact CD2-CZ2 3.89Å; L312-W314 HydrophobicContact CD2-CE3 4.31Å; L312-W314 HydrophobicContact CG-CE3 4.28Å; W314-F325 AromaticContact CD1-CZ 3.68Å; W314-F325 HydrophobicContact CD2-CZ 4.47Å; W314-F325 HydrophobicContact CG-CZ 4.25Å; W314-F325 AromaticContact NE1-CE1 3.56Å; W314-F325 AromaticContact NE1-CZ 3.54Å; W314-V327 HydrophobicContact CZ2-CG2 4.42Å; W314-I400 HydrophobicContact CH2-CD1 4.04Å; W314-I400 HydrophobicContact CZ2-CD1 3.54Å; W314-A413 CarbonylContact O-C 3.53Å; W314-A413 VanDerWaalsContact O-CA 3.25Å; W314-A413 WeakPolarHBondContact O-CA 3.35Å; W314-G414 PolarHBondContact N-O 3.34Å; W314-G414 PolarHBondContact O-N 3Å; W314-H416 HydrophobicContact CH2-CB 3.85Å; W314-H416 HydrophobicContact CZ3-CB 3.78Å; W314-L426 HydrophobicContact CB-CD2 3.73Å; W314-L426 HydrophobicContact CG-CD2 4.19Å; W314-R443 WeakPolarHBondContact CA-O 3.42Å; W314-V444 HydrophobicContact CB-CG1 4.16Å
315E96.1Very high90.6Very high9 Ų932.7 Ų32.74%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-140.5136.7172.6-61.6176.417800107.8R272 F278 V411 Y412 A413 Y442 R443 Y445R272-E315 VanDerWaalsContact NH1-CD 3.3Å; R272-E315 IonicContact NH1-OE1 3.49Å; R272-E315 PolarHBondContact NH1-OE1 2.99Å; R272-E315 VanDerWaalsContact NH1-OE1 3.12Å; R272-E315 IonicContact NH1-OE2 2.86Å; R272-E315 PolarHBondContact NH1-OE2 3.42Å; R272-E315 VanDerWaalsContact NH1-OE2 3.16Å; F278-E315 HydrophobicContact CE2-CB 3.71Å; F278-E315 HydrophobicContact CZ-CB 4.03Å; E315-V411 HydrophobicContact CB-CG1 4.23Å; E315-Y412 CarbonylContact C-O 3.47Å; E315-Y412 VanDerWaalsContact CA-O 3.32Å; E315-Y412 WeakPolarHBondContact CA-O 3.26Å; E315-A413 HydrophobicContact CG-CB 3.91Å; E315-Y442 CarbonylContact O-C 3.52Å; E315-Y442 VanDerWaalsContact O-CA 3.25Å; E315-Y442 WeakPolarHBondContact O-CA 3.24Å; E315-R443 PolarHBondContact N-O 3.2Å; E315-R443 PolarHBondContact O-N 3.36Å; E315-R443 IonicContact OE1-NH2 3.55Å; E315-R443 IonicContact OE2-CZ 3.64Å; E315-R443 IonicContact OE2-NE 3.75Å; E315-R443 IonicContact OE2-NH2 3.49Å; E315-R443 PolarHBondContact OE2-NH2 2.95Å; E315-Y445 HydrophobicContact CG-CE1 4.32Å; E315-Y445 PolarHBondContact OE1-OH 2.65Å
316F98Very high90.8Very high1 Ų132 Ų320%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-151.6158.2174.469.4-90.7000113.9I323 F325 C407 Y412 F428 L440 Y441F316-I323 HydrophobicContact CE2-CG2 4.06Å; F316-F325 HydrophobicContact CD1-CD2 4.33Å; F316-F325 HydrophobicContact CD1-CE2 4.22Å; F316-F325 HydrophobicContact CD1-CZ 4.46Å; F316-F325 HydrophobicContact CE1-CB 4.24Å; F316-F325 AromaticContact CE1-CD1 3.65Å; F316-F325 HydrophobicContact CE1-CD1 3.65Å; F316-F325 AromaticContact CE1-CD2 3.54Å; F316-F325 HydrophobicContact CE1-CD2 3.54Å; F316-F325 AromaticContact CE1-CE1 3.78Å; F316-F325 HydrophobicContact CE1-CE1 3.78Å; F316-F325 AromaticContact CE1-CE2 3.68Å; F316-F325 HydrophobicContact CE1-CE2 3.68Å; F316-F325 AromaticContact CE1-CG 3.52Å; F316-F325 HydrophobicContact CE1-CG 3.52Å; F316-F325 AromaticContact CE1-CZ 3.79Å; F316-F325 HydrophobicContact CE1-CZ 3.79Å; F316-F325 HydrophobicContact CE2-CB 4.37Å; F316-F325 HydrophobicContact CE2-CG 4.47Å; F316-F325 HydrophobicContact CZ-CB 3.6Å; F316-F325 AromaticContact CZ-CD1 3.78Å; F316-F325 HydrophobicContact CZ-CD1 3.78Å; F316-F325 AromaticContact CZ-CD2 3.75Å; F316-F325 HydrophobicContact CZ-CD2 3.75Å; F316-F325 HydrophobicContact CZ-CE1 4.39Å; F316-F325 HydrophobicContact CZ-CE2 4.35Å; F316-F325 AromaticContact CZ-CG 3.41Å; F316-F325 HydrophobicContact CZ-CG 3.41Å; F316-F325 VanDerWaalsContact CZ-CG 3.41Å; F316-C407 HydrophobicContact CD2-CB 3.85Å; F316-C407 HydrophobicContact CE2-CB 3.57Å; F316-Y412 HydrophobicContact CD1-CD1 4.47Å; F316-Y412 AromaticContact CE1-CD1 3.47Å; F316-Y412 HydrophobicContact CE1-CD1 3.47Å; F316-Y412 VanDerWaalsContact CE1-CD1 3.47Å; F316-Y412 HydrophobicContact CE1-CE1 4.46Å; F316-Y412 HydrophobicContact CE1-CG 4.06Å; F316-Y412 AromaticContact CZ-CD1 3.55Å; F316-Y412 HydrophobicContact CZ-CD1 3.55Å; F316-Y412 HydrophobicContact CZ-CE1 4.49Å; F316-Y412 AromaticContact CZ-CG 3.85Å; F316-Y412 HydrophobicContact CZ-CG 3.85Å; F316-Y412 PolarHBondContact N-O 3.11Å; F316-Y412 PolarHBondContact O-N 3.5Å; F316-F428 HydrophobicContact CB-CE1 4.11Å; F316-F428 HydrophobicContact CB-CZ 4.36Å; F316-F428 AromaticContact CD1-CE1 3.83Å; F316-F428 HydrophobicContact CD1-CE1 3.83Å; F316-F428 HydrophobicContact CD1-CZ 4.24Å; F316-F428 AromaticContact CD2-CE1 3.83Å; F316-F428 HydrophobicContact CD2-CE1 3.83Å; F316-F428 HydrophobicContact CE1-CE1 4.14Å; F316-F428 HydrophobicContact CE2-CE1 4.16Å; F316-F428 AromaticContact CG-CE1 3.66Å; F316-F428 HydrophobicContact CG-CE1 3.66Å; F316-F428 HydrophobicContact CG-CZ 4.25Å; F316-F428 HydrophobicContact CZ-CE1 4.31Å; F316-L440 HydrophobicContact CB-CD1 3.97Å; F316-L440 HydrophobicContact CD2-CD1 3.91Å; F316-L440 HydrophobicContact CG-CD1 4.28Å; F316-Y441 CarbonylContact C-O 3.53Å; F316-Y441 WeakPolarHBondContact CA-O 3.41Å; F316-Y441 VanDerWaalsContact CB-O 3.31Å; F316-Y441 WeakPolarHBondContact CB-O 3.31Å
317A97.6Very high91.4Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-150.8158.117300000109.9I275 F278 C407 Y441I275-A317 HydrophobicContact CD1-CB 4.08Å; I275-A317 HydrophobicContact CG1-CB 3.95Å; F278-A317 HydrophobicContact CD1-CB 3.83Å; F278-A317 HydrophobicContact CE1-CB 3.88Å; A317-C407 CarbonylContact C-O 3.5Å; A317-C407 WeakPolarHBondContact CA-O 3.47Å; A317-C407 WeakPolarHBondContact CB-O 3.34Å; A317-Y441 PolarHBondContact N-O 2.83Å; A317-Y441 PolarHBondContact O-N 3.09Å
318T96.2Very high91.8Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-113.9155.2173.651.10000111K279 H320 Y321 I323 C407 H408 K438 T439 L440K279-T318 WeakPolarHBondContact CE-O 3.34Å; K279-T318 PolarHBondContact NZ-O 3.37Å; T318-H320 VanDerWaalsContact C-N 3.35Å; T318-Y321 PolarHBondContact OG1-O 3.25Å; T318-I323 HydrophobicContact CG2-CB 4.24Å; T318-I323 HydrophobicContact CG2-CG2 4.21Å; T318-C407 VanDerWaalsContact CG2-SG 3.58Å; T318-C407 PolarHBondContact N-O 3.12Å; T318-C407 PolarHBondContact OG1-SG 3.08Å; T318-C407 VanDerWaalsContact OG1-SG 3.35Å; T318-H408 WeakPolarHBondContact O-CA 3.45Å; T318-H408 WeakPolarHBondContact OG1-CA 3.45Å; T318-H408 WeakPolarHBondContact OG1-CB 3.14Å; T318-H408 PolarHBondContact OG1-N 3.3Å; T318-K438 HydrophobicContact CG2-CB 4.49Å; T318-T439 CarbonylContact C-O 3.53Å; T318-T439 WeakPolarHBondContact CA-O 3.47Å; T318-L440 HydrophobicContact CG2-CD1 4.11Å
319D90Very high92.4Very high44 Ų4418.3 Ų18.324%0.23510%0.095CC..SBendtrans-60.9-45.4174.5-88.6-30.5000111.8T439 Y441D319-T439 PolarHBondContact N-O 2.99Å; D319-T439 WeakPolarHBondContact OD2-CB 3.5Å; D319-Y441 HydrophobicContact CB-CE2 4.34Å; D319-Y441 VanDerWaalsContact CG-CE2 3.45Å; D319-Y441 WeakPolarHBondContact OD1-CE2 3.32Å; D319-Y441 PolarHBondContact OD1-OH 3.1Å; D319-Y441 PolarHBondContact OD2-OH 3.47Å
320H86.2Confident92.8Very high112 Ų11218 Ų1852%0.5199%0.089SC..SBendtrans-147.7152.5-177.9-42.499.8000109.3T318T318-H320 VanDerWaalsContact C-N 3.35Å
321Y87.3Confident93Very high34 Ų3418.5 Ų18.513%0.1339%0.085CC..SBendtrans61.7158.8177.2-47.5-79000115.4E129 T318 H408 R436E129-Y321 WeakPolarHBondContact OE1-CE1 3.5Å; T318-Y321 PolarHBondContact OG1-O 3.25Å; Y321-H408 VanDerWaalsContact C-CG 3.45Å; Y321-H408 VanDerWaalsContact N-CB 3.31Å; Y321-H408 VanDerWaalsContact N-CG 3.26Å; Y321-H408 WeakPolarHBondContact O-CB 3.28Å; Y321-H408 PolarHBondContact O-ND1 2.98Å; Y321-R436 VanDerWaalsContact CZ-CZ 3.42Å; Y321-R436 PolarHBondContact OH-NH2 3Å
322D92.5Very high92.8Very high19 Ų1920.3 Ų20.310%0.10210%0.095CC..  trans-69.1159.6175.162.9-27.5000112.9R404 R405 H408 Y432 K438D322-R404 VanDerWaalsContact CG-NH2 3.27Å; D322-R404 IonicContact OD1-CZ 3.33Å; D322-R404 IonicContact OD1-NE 2.57Å; D322-R404 IonicContact OD1-NH2 3Å; D322-R404 PolarHBondContact OD1-NH2 3.37Å; D322-R404 WeakPolarHBondContact OD2-CB 3.23Å; D322-R404 IonicContact OD2-CZ 2.86Å; D322-R404 IonicContact OD2-NE 2.78Å; D322-R404 PolarHBondContact OD2-NE 2.91Å; D322-R404 IonicContact OD2-NH2 2.71Å; D322-R404 PolarHBondContact OD2-NH2 3.27Å; D322-R405 CarbonylContact C-O 3.57Å; D322-R405 WeakPolarHBondContact CA-O 3.39Å; D322-R405 WeakPolarHBondContact CB-O 3.48Å; D322-H408 PolarHBondContact N-ND1 3.37Å; D322-Y432 PolarHBondContact O-OH 3.26Å; D322-K438 WeakPolarHBondContact O-CD 3.18Å; D322-K438 WeakPolarHBondContact O-CE 3.31Å; D322-K438 PolarHBondContact O-NZ 2.93Å; D322-K438 IonicContact OD1-NZ 2.79Å
323I93.4Very high92.4Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-130.8148.2169.9-159.1164.8000109.5V293 F316 T318 R405 C407 F428 D429 Y432 K438V293-I323 HydrophobicContact CB-CD1 4.2Å; V293-I323 HydrophobicContact CG1-CD1 4.35Å; V293-I323 HydrophobicContact CG2-CD1 3.88Å; F316-I323 HydrophobicContact CE2-CG2 4.06Å; T318-I323 HydrophobicContact CG2-CB 4.24Å; T318-I323 HydrophobicContact CG2-CG2 4.21Å; I323-R405 PolarHBondContact N-O 2.66Å; I323-R405 PolarHBondContact O-N 2.89Å; I323-C407 VanDerWaalsContact CG2-SG 3.52Å; I323-F428 HydrophobicContact CD1-CB 3.92Å; I323-F428 HydrophobicContact CG2-CD1 4.25Å; I323-D429 WeakPolarHBondContact CG1-O 3.47Å; I323-Y432 WeakPolarHBondContact CA-OH 3.16Å; I323-K438 HydrophobicContact CB-CD 4.05Å; I323-K438 HydrophobicContact CD1-CB 4.42Å; I323-K438 HydrophobicContact CD1-CD 4.13Å; I323-K438 HydrophobicContact CG1-CD 3.97Å
324G93.5Very high91.9Very high1 Ų123.3 Ų23.31%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-68.2133.1169.600000109.3Y403 F428 D429 Y432G324-Y403 CarbonylContact C-O 3.52Å; G324-Y403 WeakPolarHBondContact CA-O 3.32Å; G324-F428 CarbonylContact O-C 3.55Å; G324-F428 WeakPolarHBondContact O-CA 3.4Å; G324-D429 WeakPolarHBondContact CA-O 3.36Å; G324-D429 PolarHBondContact N-O 2.61Å; G324-D429 PolarHBondContact O-N 3.24Å; G324-Y432 PolarHBondContact N-OH 3.26Å; G324-Y432 VanDerWaalsContact N-OH 3.15Å
325F96.9Very high91Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-133.6128.6177.4178.6-108.3000111.1W314 F316 V327 I400 V402 Y403 R405 Y412 L426 K427 F428W314-F325 AromaticContact CD1-CZ 3.68Å; W314-F325 HydrophobicContact CD2-CZ 4.47Å; W314-F325 HydrophobicContact CG-CZ 4.25Å; W314-F325 AromaticContact NE1-CE1 3.56Å; W314-F325 AromaticContact NE1-CZ 3.54Å; F316-F325 HydrophobicContact CD1-CD2 4.33Å; F316-F325 HydrophobicContact CD1-CE2 4.22Å; F316-F325 HydrophobicContact CD1-CZ 4.46Å; F316-F325 HydrophobicContact CE1-CB 4.24Å; F316-F325 AromaticContact CE1-CD1 3.65Å; F316-F325 HydrophobicContact CE1-CD1 3.65Å; F316-F325 AromaticContact CE1-CD2 3.54Å; F316-F325 HydrophobicContact CE1-CD2 3.54Å; F316-F325 AromaticContact CE1-CE1 3.78Å; F316-F325 HydrophobicContact CE1-CE1 3.78Å; F316-F325 AromaticContact CE1-CE2 3.68Å; F316-F325 HydrophobicContact CE1-CE2 3.68Å; F316-F325 AromaticContact CE1-CG 3.52Å; F316-F325 HydrophobicContact CE1-CG 3.52Å; F316-F325 AromaticContact CE1-CZ 3.79Å; F316-F325 HydrophobicContact CE1-CZ 3.79Å; F316-F325 HydrophobicContact CE2-CB 4.37Å; F316-F325 HydrophobicContact CE2-CG 4.47Å; F316-F325 HydrophobicContact CZ-CB 3.6Å; F316-F325 AromaticContact CZ-CD1 3.78Å; F316-F325 HydrophobicContact CZ-CD1 3.78Å; F316-F325 AromaticContact CZ-CD2 3.75Å; F316-F325 HydrophobicContact CZ-CD2 3.75Å; F316-F325 HydrophobicContact CZ-CE1 4.39Å; F316-F325 HydrophobicContact CZ-CE2 4.35Å; F316-F325 AromaticContact CZ-CG 3.41Å; F316-F325 HydrophobicContact CZ-CG 3.41Å; F316-F325 VanDerWaalsContact CZ-CG 3.41Å; F325-V327 HydrophobicContact CE1-CG2 3.75Å; F325-V327 HydrophobicContact CE2-CG2 4.2Å; F325-V327 HydrophobicContact CZ-CG2 3.43Å; F325-V327 VanDerWaalsContact CZ-CG2 3.43Å; F325-I400 HydrophobicContact CE1-CD1 4.36Å; F325-V402 WeakPolarHBondContact O-CA 3.35Å; F325-Y403 PolarHBondContact N-O 3.15Å; F325-Y403 PolarHBondContact O-N 2.94Å; F325-Y403 VanDerWaalsContact O-N 3.14Å; F325-R405 HydrophobicContact CB-CG 3.97Å; F325-Y412 HydrophobicContact CD1-CD1 4.26Å; F325-Y412 HydrophobicContact CD1-CE1 4.05Å; F325-Y412 HydrophobicContact CE1-CD1 4.45Å; F325-Y412 HydrophobicContact CE1-CE1 4.27Å; F325-L426 HydrophobicContact CE2-CB 4.21Å; F325-L426 HydrophobicContact CE2-CD2 4.42Å; F325-L426 HydrophobicContact CE2-CG 4.2Å; F325-L426 HydrophobicContact CZ-CG 4.39Å; F325-K427 WeakPolarHBondContact CA-O 3.22Å; F325-F428 AromaticContact CD2-CD1 3.95Å; F325-F428 HydrophobicContact CD2-CD1 3.95Å; F325-F428 AromaticContact CD2-CE1 3.58Å; F325-F428 HydrophobicContact CD2-CE1 3.58Å; F325-F428 HydrophobicContact CD2-CZ 4.07Å; F325-F428 AromaticContact CE2-CE1 3.9Å; F325-F428 HydrophobicContact CE2-CE1 3.9Å; F325-F428 AromaticContact CE2-CZ 3.92Å; F325-F428 HydrophobicContact CE2-CZ 3.92Å
326G94.4Very high90.2Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-143.6164.4172.500000111.7I400 K427G326-I400 CarbonylContact C-O 3.59Å; G326-I400 WeakPolarHBondContact CA-O 3.23Å; G326-K427 PolarHBondContact N-O 3.03Å; G326-K427 PolarHBondContact O-N 3.35Å
327V95.8Very high89.4Confident0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-134.4126.4-179.5-176.50000109.2W314 F325 I399 I400 Y424 L425 L426W314-V327 HydrophobicContact CZ2-CG2 4.42Å; F325-V327 HydrophobicContact CE1-CG2 3.75Å; F325-V327 HydrophobicContact CE2-CG2 4.2Å; F325-V327 HydrophobicContact CZ-CG2 3.43Å; F325-V327 VanDerWaalsContact CZ-CG2 3.43Å; V327-I399 HydrophobicContact CB-CB 4.28Å; V327-I399 HydrophobicContact CG1-CB 4.2Å; V327-I399 HydrophobicContact CG1-CD1 4Å; V327-I399 WeakPolarHBondContact O-CA 3.48Å; V327-I399 WeakPolarHBondContact O-CB 3.42Å; V327-I399 PolarHBondContact O-N 3.01Å; V327-I400 HydrophobicContact CB-CB 4.06Å; V327-I400 HydrophobicContact CB-CD1 4.11Å; V327-I400 HydrophobicContact CB-CG1 4.32Å; V327-I400 HydrophobicContact CG2-CB 4.26Å; V327-I400 HydrophobicContact CG2-CD1 3.73Å; V327-I400 HydrophobicContact CG2-CG1 4.42Å; V327-I400 PolarHBondContact N-O 3.4Å; V327-I400 PolarHBondContact O-N 2.88Å; V327-Y424 HydrophobicContact CG1-CD1 3.92Å; V327-L425 WeakPolarHBondContact CA-O 3.3Å; V327-L426 HydrophobicContact CG2-CG 4.41Å
328Y93.9Very high88.6Confident39 Ų3945 Ų4515%0.15324%0.236CC..EExtended strand (participates in β ladder)trans-120.4158.6173.7-59.2-97.4000109.9D397 E398 V402 L425 K427Y328-D397 CarbonylContact C-O 3.28Å; Y328-D397 WeakPolarHBondContact CA-O 3.46Å; Y328-E398 HydrophobicContact CD1-CB 3.85Å; Y328-E398 HydrophobicContact CD1-CG 4.08Å; Y328-E398 HydrophobicContact CE1-CB 3.66Å; Y328-E398 HydrophobicContact CE1-CG 3.58Å; Y328-E398 VanDerWaalsContact CE1-OE2 3.28Å; Y328-E398 WeakPolarHBondContact CE1-OE2 3.43Å; Y328-E398 PolarHBondContact OH-OE2 3.47Å; Y328-V402 HydrophobicContact CE2-CG2 4.12Å; Y328-L425 PolarHBondContact N-O 3.22Å; Y328-L425 PolarHBondContact O-N 3.25Å; Y328-K427 HydrophobicContact CD2-CD 3.84Å; Y328-K427 HydrophobicContact CD2-CG 4.09Å; Y328-K427 HydrophobicContact CE2-CD 3.73Å; Y328-K427 HydrophobicContact CE2-CG 4.28Å
329F93.5Very high88.2Confident0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-119.7120.2174.4-167.3-97.3000110.3T305 W331 Q396 D397 I399 P419 G420 G422 Y424T305-F329 HydrophobicContact CG2-CE2 3.86Å; T305-F329 HydrophobicContact CG2-CZ 4.16Å; F329-W331 AromaticContact CD1-CD2 3.85Å; F329-W331 HydrophobicContact CD1-CD2 3.85Å; F329-W331 AromaticContact CD1-CE2 3.59Å; F329-W331 HydrophobicContact CD1-CE3 4.29Å; F329-W331 HydrophobicContact CD1-CG 4.29Å; F329-W331 HydrophobicContact CD1-CH2 4.3Å; F329-W331 AromaticContact CD1-CZ2 3.87Å; F329-W331 HydrophobicContact CD1-CZ2 3.87Å; F329-W331 HydrophobicContact CD1-CZ3 4.5Å; F329-W331 AromaticContact CD1-NE1 3.84Å; F329-W331 AromaticContact CE1-CD2 3.77Å; F329-W331 HydrophobicContact CE1-CD2 3.77Å; F329-W331 AromaticContact CE1-CE2 3.89Å; F329-W331 AromaticContact CE1-CE3 3.74Å; F329-W331 HydrophobicContact CE1-CE3 3.74Å; F329-W331 HydrophobicContact CE1-CG 4.42Å; F329-W331 HydrophobicContact CE1-CH2 4.03Å; F329-W331 HydrophobicContact CE1-CZ2 4.06Å; F329-W331 AromaticContact CE1-CZ3 3.88Å; F329-W331 HydrophobicContact CE1-CZ3 3.88Å; F329-Q396 CarbonylContact O-C 3.59Å; F329-Q396 VanDerWaalsContact O-CA 3.27Å; F329-Q396 WeakPolarHBondContact O-CA 3.25Å; F329-D397 PolarHBondContact N-O 3.23Å; F329-D397 PolarHBondContact O-N 2.76Å; F329-I399 HydrophobicContact CB-CD1 3.81Å; F329-I399 HydrophobicContact CB-CG1 4.32Å; F329-P419 HydrophobicContact CD1-CG 3.76Å; F329-P419 HydrophobicContact CD2-CG 3.85Å; F329-P419 HydrophobicContact CE1-CG 3.75Å; F329-P419 HydrophobicContact CE2-CG 3.84Å; F329-P419 HydrophobicContact CG-CG 3.8Å; F329-P419 HydrophobicContact CZ-CG 3.77Å; F329-G420 WeakPolarHBondContact CZ-O 3.22Å; F329-G422 VanDerWaalsContact CZ-CA 3.47Å; F329-Y424 HydrophobicContact CD2-CD1 4.23Å; F329-Y424 HydrophobicContact CD2-CD2 4.1Å; F329-Y424 HydrophobicContact CD2-CE1 4.14Å; F329-Y424 HydrophobicContact CD2-CE2 4Å; F329-Y424 HydrophobicContact CD2-CG 4.21Å; F329-Y424 HydrophobicContact CE2-CD2 4.04Å; F329-Y424 AromaticContact CE2-CE2 3.77Å; F329-Y424 HydrophobicContact CE2-CE2 3.77Å
330E91.2Very high88.1Confident9 Ų947.9 Ų47.94%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-95.5125.6176.6-172.2-179.4112.600109.9R302 T332 P394 Q396 G422 I423 L425R302-E330 IonicContact CZ-OE1 3.92Å; R302-E330 IonicContact CZ-OE2 2.71Å; R302-E330 IonicContact NH1-OE1 3.12Å; R302-E330 IonicContact NH1-OE2 3.66Å; R302-E330 PolarHBondContact NH1-OE2 3.18Å; R302-E330 IonicContact NH2-OE1 3.58Å; R302-E330 PolarHBondContact NH2-OE1 3.45Å; R302-E330 IonicContact NH2-OE2 3.16Å; R302-E330 PolarHBondContact NH2-OE2 2.99Å; E330-T332 PolarHBondContact O-N 3.25Å; E330-P394 HydrophobicContact CG-CB 3.71Å; E330-P394 HydrophobicContact CG-CG 3.68Å; E330-Q396 HydrophobicContact CB-CG 4.06Å; E330-Q396 HydrophobicContact CG-CG 4.14Å; E330-Q396 PolarHBondContact OE2-NE2 3.46Å; E330-G422 WeakPolarHBondContact O-CA 3.42Å; E330-I423 HydrophobicContact CB-CB 4.32Å; E330-I423 PolarHBondContact N-O 3.32Å; E330-I423 PolarHBondContact O-N 3.45Å; E330-L425 HydrophobicContact CB-CD1 4.2Å; E330-L425 HydrophobicContact CB-CG 4.39Å
331W88Confident88.3Confident56 Ų5645.5 Ų45.521%0.21225%0.25CS..  trans-82.346.3-176.7-66.191.7000112.8N261 P262 I264 F329 R395 D397 P419N261-W331 HydrophobicContact CB-CH2 4.35Å; N261-W331 HydrophobicContact CB-CZ2 3.89Å; N261-W331 PolarHBondContact ND2-NE1 3.36Å; P262-W331 HydrophobicContact CB-CH2 4.26Å; P262-W331 VanDerWaalsContact CD-CH2 3.46Å; P262-W331 HydrophobicContact CG-CH2 3.74Å; P262-W331 HydrophobicContact CG-CZ3 4Å; I264-W331 HydrophobicContact CD1-CZ2 4.2Å; I264-W331 HydrophobicContact CG1-CZ2 4.34Å; F329-W331 AromaticContact CD1-CD2 3.85Å; F329-W331 HydrophobicContact CD1-CD2 3.85Å; F329-W331 AromaticContact CD1-CE2 3.59Å; F329-W331 HydrophobicContact CD1-CE3 4.29Å; F329-W331 HydrophobicContact CD1-CG 4.29Å; F329-W331 HydrophobicContact CD1-CH2 4.3Å; F329-W331 AromaticContact CD1-CZ2 3.87Å; F329-W331 HydrophobicContact CD1-CZ2 3.87Å; F329-W331 HydrophobicContact CD1-CZ3 4.5Å; F329-W331 AromaticContact CD1-NE1 3.84Å; F329-W331 AromaticContact CE1-CD2 3.77Å; F329-W331 HydrophobicContact CE1-CD2 3.77Å; F329-W331 AromaticContact CE1-CE2 3.89Å; F329-W331 AromaticContact CE1-CE3 3.74Å; F329-W331 HydrophobicContact CE1-CE3 3.74Å; F329-W331 HydrophobicContact CE1-CG 4.42Å; F329-W331 HydrophobicContact CE1-CH2 4.03Å; F329-W331 HydrophobicContact CE1-CZ2 4.06Å; F329-W331 AromaticContact CE1-CZ3 3.88Å; F329-W331 HydrophobicContact CE1-CZ3 3.88Å; W331-R395 PolarHBondContact N-O 2.87Å; W331-R395 VanDerWaalsContact N-O 3.08Å; W331-D397 PolarHBondContact NE1-OD2 3.09Å; W331-P419 HydrophobicContact CH2-CB 3.9Å; W331-P419 HydrophobicContact CH2-CG 4.17Å; W331-P419 HydrophobicContact CZ2-CB 4.27Å; W331-P419 HydrophobicContact CZ2-CG 4.36Å
332T85.7Confident88.2Confident56 Ų5648.4 Ų48.434%0.34427%0.265SS..  trans-124.5132.2177.9-57.20000109.3E330 A334 P394 G422 I423E330-T332 PolarHBondContact O-N 3.25Å; T332-A334 PolarHBondContact O-N 2.66Å; T332-P394 WeakPolarHBondContact OG1-CB 3.38Å; T332-G422 CarbonylContact O-C 3.52Å; T332-G422 VanDerWaalsContact O-CA 3.29Å; T332-G422 WeakPolarHBondContact O-CA 3.33Å; T332-I423 WeakPolarHBondContact O-CG1 3.42Å
333V82.4Confident87.8Confident76 Ų7651.6 Ų51.646%0.46129%0.285SS..  trans-78.3119.7173.5171.10000108.1R421V333-R421 HydrophobicContact CG2-CB 4.19Å
334A80.5Confident87.1Confident31 Ų3154.4 Ų54.426%0.25631%0.305SS..  trans-67.5144.9171.700000111.2P304 T332 S336 I423P304-A334 HydrophobicContact CB-CB 3.85Å; P304-A334 HydrophobicContact CG-CB 3.75Å; T332-A334 PolarHBondContact O-N 2.66Å; A334-S336 VanDerWaalsContact CB-O 3.26Å; A334-S336 WeakPolarHBondContact CB-O 3.35Å; A334-S336 PolarHBondContact O-N 2.94Å; A334-I423 HydrophobicContact CB-CD1 3.86Å; A334-I423 HydrophobicContact CB-CG1 4.05Å
335D78.5Confident85.9Confident176 Ų17659.5 Ų59.594%0.94133%0.328SS*.SBendtrans-68.2-17.9173.1-63.3-38.2000112.6
336S79.7Confident83.6Confident57 Ų5761 Ų6140%0.39934%0.338SS..SBendtrans-140.1158.2179.986.90000112.1P304 A334 Q338P304-S336 WeakPolarHBondContact CG-O 3.21Å; A334-S336 VanDerWaalsContact CB-O 3.26Å; A334-S336 WeakPolarHBondContact CB-O 3.35Å; A334-S336 PolarHBondContact O-N 2.94Å; S336-Q338 PolarHBondContact O-N 3.43Å; S336-Q338 PolarHBondContact OG-N 3.3Å
337N80.1Confident81.2Confident83 Ų8365.3 Ų65.344%0.44436%0.362SS..  trans-85.413.8174-66.2-19.3000113.1H306H306-N337 PolarHBondContact CD2-ND2 3.22Å
338Q81.5Confident78.7Confident153 Ų15369.5 Ų69.572%0.71538%0.384SS*.  trans-76.9137.8-179.6-67-164.9-6.600111.3P304 S336P304-Q338 WeakPolarHBondContact CD-O 3.45Å; P304-Q338 WeakPolarHBondContact CG-O 3.46Å; S336-Q338 PolarHBondContact O-N 3.43Å; S336-Q338 PolarHBondContact OG-N 3.3Å
339V87.2Confident76Confident60 Ų6073.2 Ų73.236%0.36440%0.403SS..  trans-78.6128.6170.7177.80000108.3V301 R302 V303 V444V301-V339 HydrophobicContact CG1-CG1 3.58Å; R302-V339 WeakPolarHBondContact O-CA 3.35Å; V303-V339 HydrophobicContact CG1-CG2 4.2Å; V303-V339 HydrophobicContact CG2-CG1 4.16Å; V303-V339 HydrophobicContact CG2-CG2 4.38Å; V339-V444 HydrophobicContact CG2-CG2 4.36Å
340S88Confident73.3Confident44 Ų4479.9 Ų79.931%0.30843%0.434SS..EExtended strand (participates in β ladder)trans-117153.2174.772.50000111.3R302 H342R302-S340 PolarHBondContact N-O 2.9Å; R302-S340 PolarHBondContact O-N 2.99Å; R302-S340 VanDerWaalsContact O-N 3.12Å; S340-H342 PolarHBondContact OG-CD2 2.77Å; S340-H342 PolarHBondContact OG-NE2 3.45Å
341V90.4Very high70.9Confident62 Ų6283.3 Ų83.338%0.37645%0.452SS..EExtended strand (participates in β ladder)trans-118.6120.5178.7-1780000107.6I291 V299 V301I291-V341 HydrophobicContact CD1-CG1 3.8Å; I291-V341 HydrophobicContact CD1-CG2 3.9Å; V299-V341 HydrophobicContact CG1-CG1 3.53Å; V301-V341 HydrophobicContact CG2-CG2 4.37Å
342H84.9Confident68.8Low95 Ų9581.6 Ų81.644%0.4445%0.446SS..EExtended strand (participates in β ladder)trans-108.3124.8175.5-71.6-106.6000108.7V299 T300 R302 S340V299-H342 CarbonylContact C-O 3.56Å; V299-H342 WeakPolarHBondContact CA-O 3.34Å; T300-H342 PolarHBondContact N-O 2.86Å; T300-H342 PolarHBondContact O-N 3.03Å; R302-H342 WeakPolarHBondContact CD-CD2 3.23Å; R302-H342 WeakPolarHBondContact CD-NE2 3.33Å; S340-H342 PolarHBondContact OG-CD2 2.77Å; S340-H342 PolarHBondContact OG-NE2 3.45Å
343V84.2Confident66.8Low86 Ų8683.4 Ų83.452%0.52145%0.454SS..EExtended strand (participates in β ladder)trans-97.9119.9171.2-171.10000106.5E297 V299E297-V343 HydrophobicContact CB-CG1 4.45Å; E297-V343 HydrophobicContact CG-CG1 4.34Å; V299-V343 HydrophobicContact CG2-CG1 4.26Å; V299-V343 HydrophobicContact CG2-CG2 4.15Å
344S78.6Confident64.9Low59 Ų5985.6 Ų85.641%0.41346%0.459SS..EExtended strand (participates in β ladder)trans-112.9130.9169.5-60.90000106.7E297 T298E297-S344 CarbonylContact C-O 3.55Å; E297-S344 WeakPolarHBondContact CA-O 3.47Å; T298-S344 PolarHBondContact N-O 3.46Å; T298-S344 PolarHBondContact O-N 2.91Å
345E67.7Low63.2Low108 Ų10884.8 Ų84.851%0.50545%0.452SS..EExtended strand (participates in β ladder)trans-63.3143.7153.5-58.9-172.9-166.100105.5E297 D347E297-E345 HydrophobicContact CG-CG 4.34Å; E345-D347 PolarHBondContact O-N 3.29Å
346S49.7Very low61.7Low30 Ų3077.9 Ų77.921%0.2142%0.415CS..  trans-34.8133.6-178.6169.80000111.7G296 D348 E349G296-S346 WeakPolarHBondContact O-CB 3.39Å; G296-S346 PolarHBondContact O-N 3.27Å; S346-D348 PolarHBondContact O-N 3.41Å; S346-D348 PolarHBondContact OG-N 2.97Å; S346-E349 PolarHBondContact O-N 3.2Å
347D44.7Very low60.2Low92 Ų9281.6 Ų81.649%0.49243%0.426SS..THydrogen-bonded Turntrans-54.1-4.5177.6-142.95.7000112.8E345 E349 D351 K393E345-D347 PolarHBondContact O-N 3.29Å; D347-E349 PolarHBondContact O-N 2.85Å; D347-D351 PolarHBondContact O-N 3.09Å; D347-K393 IonicContact OD2-NZ 3.98Å
348D41.6Very low58.6Low87 Ų8779.3 Ų79.347%0.46542%0.419SS..THydrogen-bonded Turntrans-64.3-1.9164-73.2-3.3000113.4K35 S346K35-D348 PolarHBondContact NZ-O 2.97Å; S346-D348 PolarHBondContact O-N 3.41Å; S346-D348 PolarHBondContact OG-N 2.97Å
349E38.6Very low56.9Low118 Ų11874.7 Ų74.755%0.55140%0.397SS*.THydrogen-bonded Turntrans-91.3-46.6168.5-64.9-149.5162.800113S346 D347 D351 Y352S346-E349 PolarHBondContact O-N 3.2Å; D347-E349 PolarHBondContact O-N 2.85Å; E349-D351 VanDerWaalsContact C-N 3.26Å; E349-D351 PolarHBondContact O-N 3.06Å; E349-Y352 WeakPolarHBondContact O-CB 3.41Å; E349-Y352 PolarHBondContact O-N 3.5Å
350E36.6Very low55Low140 Ų14074 Ų7465%0.65439%0.39SS*.Hα-helixtrans-64.6-30.4179.4-71-176-168.800112.1Y352 D353 E354E350-Y352 PolarHBondContact O-N 3.01Å; E350-D353 PolarHBondContact O-N 2.56Å; E350-E354 PolarHBondContact O-N 3.37Å
351D41Very low53Low81 Ų8175 Ų7543%0.43340%0.401SS..Hα-helixtrans-67.7-4.7175.2-119.6-4.1000112.9D347 E349 A355D347-D351 PolarHBondContact O-N 3.09Å; E349-D351 VanDerWaalsContact C-N 3.26Å; E349-D351 PolarHBondContact O-N 3.06Å; D351-A355 WeakPolarHBondContact O-CB 3.31Å; D351-A355 PolarHBondContact O-N 2.95Å
352Y42.4Very low50.7Low19 Ų1978.7 Ų78.78%0.07541%0.414CS..Hα-helixtrans-80.7-45.1178-122.8-64.8000108.5V31 K35 E349 E350 L356V31-Y352 VanDerWaalsContact CA-OH 3.31Å; V31-Y352 WeakPolarHBondContact CA-OH 3.29Å; V31-Y352 HydrophobicContact CB-CE2 4Å; V31-Y352 HydrophobicContact CG1-CD2 3.61Å; V31-Y352 HydrophobicContact CG1-CE2 3.02Å; V31-Y352 PolarHBondContact O-OH 2.95Å; K35-Y352 HydrophobicContact CB-CE2 4.48Å; K35-Y352 HydrophobicContact CD-CD2 3.38Å; K35-Y352 HydrophobicContact CD-CE2 3.17Å; K35-Y352 HydrophobicContact CD-CG 4.16Å; K35-Y352 VanDerWaalsContact CE-CA 3.41Å; K35-Y352 HydrophobicContact CG-CD2 3.96Å; K35-Y352 HydrophobicContact CG-CE1 4.39Å; K35-Y352 HydrophobicContact CG-CE2 3.28Å; K35-Y352 VanDerWaalsContact NZ-CG 3.29Å; E349-Y352 WeakPolarHBondContact O-CB 3.41Å; E349-Y352 PolarHBondContact O-N 3.5Å; E350-Y352 PolarHBondContact O-N 3.01Å; Y352-L356 HydrophobicContact CD1-CD1 3.77Å; Y352-L356 HydrophobicContact CD1-CD2 4.4Å; Y352-L356 HydrophobicContact CD1-CG 3.95Å; Y352-L356 HydrophobicContact CE1-CD1 4.2Å; Y352-L356 HydrophobicContact CE1-CD2 4.38Å; Y352-L356 HydrophobicContact CE1-CG 4.39Å; Y352-L356 VanDerWaalsContact O-CB 3.28Å; Y352-L356 WeakPolarHBondContact O-CB 3.33Å; Y352-L356 WeakPolarHBondContact O-CG 3.26Å; Y352-L356 PolarHBondContact O-N 3.38Å
353D44.3Very low48.7Very low94 Ų9477.3 Ų77.350%0.50342%0.419SS..Hα-helixtrans-66.9-46178.9-61.3-30.9000109.8E350 E357E350-D353 PolarHBondContact O-N 2.56Å; D353-E357 VanDerWaalsContact O-CB 3.29Å; D353-E357 WeakPolarHBondContact O-CB 2.93Å; D353-E357 VanDerWaalsContact O-CG 3.26Å; D353-E357 WeakPolarHBondContact O-CG 3.43Å; D353-E357 PolarHBondContact O-N 3.02Å
354E43.6Very low46.4Very low122 Ų12275.3 Ų75.357%0.5742%0.416SS*.Hα-helixtrans-73.7-36.2-179.9-168.4156.8-148.700113.2E350 A358E350-E354 PolarHBondContact O-N 3.37Å; E354-A358 WeakPolarHBondContact O-CA 3.48Å; E354-A358 WeakPolarHBondContact O-CB 3.45Å; E354-A358 PolarHBondContact O-N 3.31Å
355A44.5Very low44Very low14 Ų1475.4 Ų75.412%0.11643%0.426CS..Hα-helixtrans-71.7-33.7176.500000112.9V39 D351 E359V39-A355 HydrophobicContact CG1-CB 4.21Å; V39-A355 HydrophobicContact CG2-CB 4.1Å; D351-A355 WeakPolarHBondContact O-CB 3.31Å; D351-A355 PolarHBondContact O-N 2.95Å; A355-E359 PolarHBondContact O-N 2.97Å
356L46.1Very low42.1Very low32 Ų3274.1 Ų74.117%0.16844%0.442CS..Hα-helixtrans-74.5-40.3175.4-64.9-174.5000111.6L54 Y352 A358 E359 Q360L54-L356 HydrophobicContact CD2-CB 4Å; L54-L356 HydrophobicContact CD2-CD1 3.51Å; L54-L356 HydrophobicContact CD2-CD2 3.24Å; L54-L356 HydrophobicContact CD2-CG 3.69Å; L54-L356 HydrophobicContact CG-CD2 4.48Å; Y352-L356 HydrophobicContact CD1-CD1 3.77Å; Y352-L356 HydrophobicContact CD1-CD2 4.4Å; Y352-L356 HydrophobicContact CD1-CG 3.95Å; Y352-L356 HydrophobicContact CE1-CD1 4.2Å; Y352-L356 HydrophobicContact CE1-CD2 4.38Å; Y352-L356 HydrophobicContact CE1-CG 4.39Å; Y352-L356 VanDerWaalsContact O-CB 3.28Å; Y352-L356 WeakPolarHBondContact O-CB 3.33Å; Y352-L356 WeakPolarHBondContact O-CG 3.26Å; Y352-L356 PolarHBondContact O-N 3.38Å; L356-A358 VanDerWaalsContact C-N 3.3Å; L356-A358 PolarHBondContact O-N 2.79Å; L356-E359 PolarHBondContact O-N 2.91Å; L356-Q360 WeakPolarHBondContact O-CB 3.39Å; L356-Q360 PolarHBondContact O-N 3.2Å
357E47.9Very low41Very low135 Ų13576.4 Ų76.463%0.63147%0.47SS*.Hα-helixtrans-63.9-36.3170.4-73.9-173.617700111.5D353 Q360 A361D353-E357 VanDerWaalsContact O-CB 3.29Å; D353-E357 WeakPolarHBondContact O-CB 2.93Å; D353-E357 VanDerWaalsContact O-CG 3.26Å; D353-E357 WeakPolarHBondContact O-CG 3.43Å; D353-E357 PolarHBondContact O-N 3.02Å; E357-Q360 WeakPolarHBondContact O-CB 3.47Å; E357-Q360 PolarHBondContact O-N 3.2Å; E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.95Å
358A46.9Very low40.1Very low35 Ų3576 Ų7629%0.28949%0.488SS..Hα-helixtrans-69.4-40174.900000112.5E354 L356 Q360 A361 E362E354-A358 WeakPolarHBondContact O-CA 3.48Å; E354-A358 WeakPolarHBondContact O-CB 3.45Å; E354-A358 PolarHBondContact O-N 3.31Å; L356-A358 VanDerWaalsContact C-N 3.3Å; L356-A358 PolarHBondContact O-N 2.79Å; A358-Q360 VanDerWaalsContact C-N 3.29Å; A358-Q360 PolarHBondContact O-N 2.91Å; A358-A361 CarbonylContact O-C 3.55Å; A358-A361 PolarHBondContact O-N 3.08Å; A358-E362 VanDerWaalsContact O-CB 3.27Å; A358-E362 WeakPolarHBondContact O-CB 3.08Å; A358-E362 WeakPolarHBondContact O-CG 3.33Å; A358-E362 PolarHBondContact O-N 3.45Å
359E47Very low39.3Very low55 Ų5575.8 Ų75.826%0.25751%0.506SS..Hα-helixtrans-63.5-37.4172.4-84.3-155.5157.100111.8A355 L356 A361 A363A355-E359 PolarHBondContact O-N 2.97Å; L356-E359 PolarHBondContact O-N 2.91Å; E359-A361 VanDerWaalsContact C-N 3.34Å; E359-A363 VanDerWaalsContact O-CB 3.24Å; E359-A363 WeakPolarHBondContact O-CB 3.3Å; E359-A363 PolarHBondContact O-N 3.39Å
360Q45.6Very low39Very low47 Ų4775.2 Ų75.222%0.2252%0.521CS..Hα-helixtrans-64.7-39.7174.1-166.4169.1-100111.3D76 L356 E357 A358 G364D76-Q360 WeakPolarHBondContact OD1-CG 3.39Å; D76-Q360 PolarHBondContact OD1-NE2 2.95Å; D76-Q360 PolarHBondContact OD2-NE2 3.47Å; L356-Q360 WeakPolarHBondContact O-CB 3.39Å; L356-Q360 PolarHBondContact O-N 3.2Å; E357-Q360 WeakPolarHBondContact O-CB 3.47Å; E357-Q360 PolarHBondContact O-N 3.2Å; A358-Q360 VanDerWaalsContact C-N 3.29Å; A358-Q360 PolarHBondContact O-N 2.91Å; Q360-G364 PolarHBondContact O-N 2.92Å
361A47.4Very low38.7Very low65 Ų6573.8 Ų73.854%0.53753%0.534SS..Hα-helixtrans-73.2-3817600000113.9E357 A358 E359 G364 G365E357-A361 WeakPolarHBondContact O-CB 3.48Å; E357-A361 PolarHBondContact O-N 2.95Å; A358-A361 CarbonylContact O-C 3.55Å; A358-A361 PolarHBondContact O-N 3.08Å; E359-A361 VanDerWaalsContact C-N 3.34Å; A361-G364 CarbonylContact O-C 3.51Å; A361-G364 PolarHBondContact O-N 2.9Å; A361-G365 WeakPolarHBondContact O-CA 3.42Å; A361-G365 PolarHBondContact O-N 3.27Å
362E42Very low38.2Very low138 Ų13873.5 Ų73.565%0.64555%0.55SS*.Hα-helixtrans-73.2-40.2179.8-74.7-82.4150.400111.4A358 G364 G365A358-E362 VanDerWaalsContact O-CB 3.27Å; A358-E362 WeakPolarHBondContact O-CB 3.08Å; A358-E362 WeakPolarHBondContact O-CG 3.33Å; A358-E362 PolarHBondContact O-N 3.45Å; E362-G364 PolarHBondContact O-N 3.38Å; E362-G365 PolarHBondContact O-N 3.46Å
363A43Very low37.6Very low67 Ų6782.6 Ų82.655%0.55459%0.593SS**Hα-helixtrans-68.3-22.7173.500000112.9T78 E359T78-A363 WeakPolarHBondContact OG1-CB 3.43Å; E359-A363 VanDerWaalsContact O-CB 3.24Å; E359-A363 WeakPolarHBondContact O-CB 3.3Å; E359-A363 PolarHBondContact O-N 3.39Å
364G36Very low36.9Very low44 Ų4481.7 Ų81.745%0.45461%0.606SS.*THydrogen-bonded Turntrans-95.2-0.9173.200000115.3Q360 A361 E362 G366Q360-G364 PolarHBondContact O-N 2.92Å; A361-G364 CarbonylContact O-C 3.51Å; A361-G364 PolarHBondContact O-N 2.9Å; E362-G364 PolarHBondContact O-N 3.38Å; G364-G366 VanDerWaalsContact C-N 3.3Å; G364-G366 PolarHBondContact O-N 3.31Å; G364-G366 VanDerWaalsContact O-N 3.07Å
365G28.3Very low36.3Very low60 Ų6079 Ų7962%0.61961%0.611SS**  trans-84.528.4-163.600000116.8A361 E362 G367A361-G365 WeakPolarHBondContact O-CA 3.42Å; A361-G365 PolarHBondContact O-N 3.27Å; E362-G365 PolarHBondContact O-N 3.46Å; G365-G367 PolarHBondContact O-N 3.36Å
366G26.1Very low36Very low81 Ų8185.1 Ų85.184%0.83565%0.65SS**  trans-90.165176.100000113.6G364G364-G366 VanDerWaalsContact C-N 3.3Å; G364-G366 PolarHBondContact O-N 3.31Å; G364-G366 VanDerWaalsContact O-N 3.07Å
367G26.6Very low35.6Very low78 Ų7886.9 Ų86.980%0.80468%0.676SS**  trans90.4126.6156.200000118.5G365G365-G367 PolarHBondContact O-N 3.36Å
368G25.8Very low35.5Very low84 Ų8486.3 Ų86.387%0.86668%0.677SS**  trans104.486.6134.400000118.1
369G25.8Very low35.3Very low83 Ų8391.5 Ų91.586%0.85671%0.705SS**  81.1100.3115.200000119.3
370A31.9Very low35.2Very low105 Ų10597.2 Ų97.287%0.86873%0.731SS**SBendtrans-138.692.9136.500000110.1
371A31.3Very low34.6Very low110 Ų11098.8 Ų98.891%0.90975%0.752SS**SBendtrans56.883.8150.700000119.8
372G30.9Very low33.8Very low75 Ų7598.7 Ų98.777%0.77376%0.757SS**  trans-152.8114.1154.500000109.6G374G372-G374 PolarHBondContact O-N 3.02Å
373Q29.8Very low33.6Very low211 Ų21196.2 Ų96.299%0.98676%0.76SS**  trans-62.7120.1-175.7-6716735.800111.4
374G29.3Very low33.2Very low74 Ų74101.3 Ų101.376%0.76378%0.775SS**  trans-167.8124.4170.600000109G372G372-G374 PolarHBondContact O-N 3.02Å
375G29.9Very low33.2Very low67 Ų67105.8 Ų105.869%0.69178%0.784SS**  trans-63.7175.3-164.400000116.5G377G375-G377 PolarHBondContact O-N 3.4Å
376P39.1Very low33.5Very low142 Ų142108.5 Ų108.592%0.92279%0.789SS**  trans-70.198.2-174.929.7-31.8000109.9
377G37.1Very low34Very low69 Ų69115.4 Ų115.471%0.71179%0.79SS**  trans-73.6136.1165.100000110.1G375G375-G377 PolarHBondContact O-N 3.4Å
378D45.1Very low34.4Very low123 Ų123122.5 Ų122.566%0.65879%0.792SS**  trans-50.3128.3-179.6-173.4-1.1000113.2E380D378-E380 VanDerWaalsContact C-N 3.27Å; D378-E380 PolarHBondContact O-N 2.93Å; D378-E380 PolarHBondContact OD1-N 2.92Å
379V44.2Very low35.1Very low144 Ų144124 Ų12487%0.87378%0.784SS**THydrogen-bonded Turntrans-76.1-11.1-179.2133.80000112.7
380E44.4Very low35.9Very low175 Ų175123.8 Ų123.882%0.81876%0.764SS**THydrogen-bonded Turntrans-88.2-4.6178.3-73.3-151.315100114.8D378 G382D378-E380 VanDerWaalsContact C-N 3.27Å; D378-E380 PolarHBondContact O-N 2.93Å; D378-E380 PolarHBondContact OD1-N 2.92Å; E380-G382 PolarHBondContact O-N 3.5Å
381A33.7Very low36.7Very low80 Ų80124.7 Ų124.766%0.66176%0.76SS**SBendtrans-75.177.8165.800000108.5A383A381-A383 PolarHBondContact O-N 2.86Å
382G30.3Very low37.6Very low62 Ų62126.1 Ų126.164%0.63975%0.753SS**  trans-43.6133.6169.400000108.7E380 M384E380-G382 PolarHBondContact O-N 3.5Å; G382-M384 PolarHBondContact O-N 3.3Å
383A36.9Very low38.9Very low86 Ų86127.5 Ų127.571%0.71174%0.737SS**  trans-57.479.9-174.600000111A381 Q385A381-A383 PolarHBondContact O-N 2.86Å; A383-Q385 PolarHBondContact O-N 2.84Å
384M34.1Very low40.8Very low174 Ų174119.6 Ų119.686%0.85770%0.704SS**  trans-54.598.8137-100.5178.6143.900102.5G382 T386G382-M384 PolarHBondContact O-N 3.3Å; M384-T386 PolarHBondContact O-N 3.01Å
385Q35.9Very low43.2Very low138 Ų138122.1 Ų122.165%0.64569%0.691SS**  trans-51.381.9151.9-79.5161-41.700105.3A383 R387A383-Q385 PolarHBondContact O-N 2.84Å; Q385-R387 PolarHBondContact O-N 2.9Å
386T35.7Very low45.9Very low118 Ų118121.9 Ų121.972%0.72467%0.672SS**  trans-49.198.8143.2290000102.2M384 R388M384-T386 PolarHBondContact O-N 3.01Å; T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 2.96Å
387R36.2Very low48.2Very low226 Ų226116.6 Ų116.685%0.85364%0.636SS**  trans-29107.9162.1-80.1175151.8162.8-6.8104.6Q385 V389Q385-R387 PolarHBondContact O-N 2.9Å; R387-V389 PolarHBondContact O-N 3.26Å
388R35.7Very low50.7Low227 Ų227118.2 Ų118.286%0.85763%0.625SS**  trans-6199.2176.8-74.7-176.5177.7178.43.2101.9T386 D390T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 2.96Å; R388-D390 VanDerWaalsContact C-N 3.25Å; R388-D390 PolarHBondContact O-N 3.5Å
389V39.8Very low52.8Low114 Ų114113.5 Ų113.569%0.69160%0.6SS**  trans-61.1105.5176.4175.80000101.9R387 P391R387-V389 PolarHBondContact O-N 3.26Å; V389-P391 WeakPolarHBondContact O-CD 3.33Å
390D43.1Very low55Low80 Ų80107 Ų10743%0.42856%0.56SS.*  trans-48117178.9-178.7-4.8000106.1R388 N392 K393R388-D390 VanDerWaalsContact C-N 3.25Å; R388-D390 PolarHBondContact O-N 3.5Å; D390-N392 PolarHBondContact O-N 2.97Å; D390-N392 WeakPolarHBondContact OD1-CB 3.37Å; D390-N392 PolarHBondContact OD1-N 3.1Å; D390-N392 VanDerWaalsContact OD1-N 3.17Å; D390-N392 PolarHBondContact OD1-ND2 3.05Å; D390-K393 HydrophobicContact CB-CB 4.15Å; D390-K393 PolarHBondContact O-N 3.43Å
391P47.5Very low57.2Low123 Ų123100.8 Ų100.880%0.79954%0.535SS*.THydrogen-bonded Turntrans-60-15.7-175.622-32.5000112V389V389-P391 WeakPolarHBondContact O-CD 3.33Å
392N51.5Low59.8Low141 Ų14199.2 Ų99.275%0.75452%0.517SS*.THydrogen-bonded Turntrans-83.5-20173.5-61.7-43.4000113.9D390D390-N392 PolarHBondContact O-N 2.97Å; D390-N392 WeakPolarHBondContact OD1-CB 3.37Å; D390-N392 PolarHBondContact OD1-N 3.1Å; D390-N392 VanDerWaalsContact OD1-N 3.17Å; D390-N392 PolarHBondContact OD1-ND2 3.05Å
393K57.6Low62.7Low103 Ų103102.5 Ų102.545%0.44851%0.511SS..SBendtrans-79.4119.6178.4-160.3166.9-169.8168.60108.5D347 D390 R395D347-K393 IonicContact OD2-NZ 3.98Å; D390-K393 HydrophobicContact CB-CB 4.15Å; D390-K393 PolarHBondContact O-N 3.43Å; K393-R395 PolarHBondContact O-N 2.95Å
394P69.8Low65.3Low45 Ų45105.4 Ų105.429%0.29250%0.503SS..PPolyproline II helixtrans-60.6141.7-17724.5-33.6000110.3E330 T332 Q396E330-P394 HydrophobicContact CG-CB 3.71Å; E330-P394 HydrophobicContact CG-CG 3.68Å; T332-P394 WeakPolarHBondContact OG1-CB 3.38Å; P394-Q396 PolarHBondContact O-N 3.23Å
395R78.8Confident68Low127 Ų12799.6 Ų99.648%0.47947%0.472SS..PPolyproline II helixtrans-59.5126.6-179.2-175.6-176.8166.4-158.7-11.6110.4N261 W331 K393 D397N261-R395 PolarHBondContact ND2-NH1 3.01Å; N261-R395 PolarHBondContact ND2-NH2 3.37Å; N261-R395 PolarHBondContact OD1-NH1 3.4Å; N261-R395 VanDerWaalsContact OD1-NH1 3.17Å; W331-R395 PolarHBondContact N-O 2.87Å; W331-R395 VanDerWaalsContact N-O 3.08Å; K393-R395 PolarHBondContact O-N 2.95Å; R395-D397 IonicContact CZ-OD1 3.52Å; R395-D397 IonicContact NE-OD1 3.68Å; R395-D397 PolarHBondContact NE-OD1 2.83Å; R395-D397 IonicContact NH2-OD1 2.78Å; R395-D397 PolarHBondContact NH2-OD1 3.31Å; R395-D397 IonicContact NH2-OD2 3.52Å; R395-D397 PolarHBondContact NH2-OD2 2.95Å
396Q87.3Confident70.6Confident63 Ų6396.1 Ų96.129%0.29446%0.458SS..EExtended strand (participates in β ladder)trans-117137.9177.1-68.5174.88.200110.7F329 E330 P394 L425F329-Q396 CarbonylContact O-C 3.59Å; F329-Q396 VanDerWaalsContact O-CA 3.27Å; F329-Q396 WeakPolarHBondContact O-CA 3.25Å; E330-Q396 HydrophobicContact CB-CG 4.06Å; E330-Q396 HydrophobicContact CG-CG 4.14Å; E330-Q396 PolarHBondContact OE2-NE2 3.46Å; P394-Q396 PolarHBondContact O-N 3.23Å; Q396-L425 HydrophobicContact CG-CD1 4.02Å
397D87.3Confident73.3Confident31 Ų3190.6 Ų90.617%0.16642%0.424CS..EExtended strand (participates in β ladder)trans-113.5141.5170.1-66.6-32.3000109.6N261 I264 Y328 F329 W331 R395N261-D397 PolarHBondContact ND2-OD2 3.2Å; I264-D397 HydrophobicContact CD1-CB 3.34Å; Y328-D397 CarbonylContact C-O 3.28Å; Y328-D397 WeakPolarHBondContact CA-O 3.46Å; F329-D397 PolarHBondContact N-O 3.23Å; F329-D397 PolarHBondContact O-N 2.76Å; W331-D397 PolarHBondContact NE1-OD2 3.09Å; R395-D397 IonicContact CZ-OD1 3.52Å; R395-D397 IonicContact NE-OD1 3.68Å; R395-D397 PolarHBondContact NE-OD1 2.83Å; R395-D397 IonicContact NH2-OD1 2.78Å; R395-D397 PolarHBondContact NH2-OD1 3.31Å; R395-D397 IonicContact NH2-OD2 3.52Å; R395-D397 PolarHBondContact NH2-OD2 2.95Å
398E90.6Very high75.9Confident102 Ų10282.3 Ų82.348%0.47740%0.395SS..EExtended strand (participates in β ladder)trans-82.4130.7-179.9-173.4173.388.100111.3Y328 P401Y328-E398 HydrophobicContact CD1-CB 3.85Å; Y328-E398 HydrophobicContact CD1-CG 4.08Å; Y328-E398 HydrophobicContact CE1-CB 3.66Å; Y328-E398 HydrophobicContact CE1-CG 3.58Å; Y328-E398 VanDerWaalsContact CE1-OE2 3.28Å; Y328-E398 WeakPolarHBondContact CE1-OE2 3.43Å; Y328-E398 PolarHBondContact OH-OE2 3.47Å; E398-P401 WeakPolarHBondContact OE1-CG 3.47Å
399I89.2Confident78.6Confident25 Ų2576.6 Ų76.613%0.12838%0.378CS..EExtended strand (participates in β ladder)trans-103.2-47.7174-58.9170.8000109.9I264 A267 V327 F329 H416 Y424I264-I399 HydrophobicContact CG2-CG1 4.03Å; A267-I399 HydrophobicContact CB-CG2 3.84Å; V327-I399 HydrophobicContact CB-CB 4.28Å; V327-I399 HydrophobicContact CG1-CB 4.2Å; V327-I399 HydrophobicContact CG1-CD1 4Å; V327-I399 WeakPolarHBondContact O-CA 3.48Å; V327-I399 WeakPolarHBondContact O-CB 3.42Å; V327-I399 PolarHBondContact O-N 3.01Å; F329-I399 HydrophobicContact CB-CD1 3.81Å; F329-I399 HydrophobicContact CB-CG1 4.32Å; I399-H416 VanDerWaalsContact CD1-CE1 3.49Å; I399-H416 WeakPolarHBondContact CD1-CE1 3.42Å; I399-H416 WeakPolarHBondContact CG2-CD2 3.38Å; I399-Y424 HydrophobicContact CD1-CD1 3.94Å; I399-Y424 HydrophobicContact CD1-CE1 3.56Å
400I90Very high81.1Confident7 Ų773.1 Ų73.14%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-130.2118.3177.2-63.8162.8000107.5A267 L269 W314 F325 G326 V327A267-I400 HydrophobicContact CB-CD1 3.67Å; A267-I400 HydrophobicContact CB-CG1 3.88Å; L269-I400 HydrophobicContact CD1-CD1 4.24Å; L269-I400 HydrophobicContact CD2-CD1 3.82Å; L269-I400 HydrophobicContact CG-CD1 4.36Å; W314-I400 HydrophobicContact CH2-CD1 4.04Å; W314-I400 HydrophobicContact CZ2-CD1 3.54Å; F325-I400 HydrophobicContact CE1-CD1 4.36Å; G326-I400 CarbonylContact C-O 3.59Å; G326-I400 WeakPolarHBondContact CA-O 3.23Å; V327-I400 HydrophobicContact CB-CB 4.06Å; V327-I400 HydrophobicContact CB-CD1 4.11Å; V327-I400 HydrophobicContact CB-CG1 4.32Å; V327-I400 HydrophobicContact CG2-CB 4.26Å; V327-I400 HydrophobicContact CG2-CD1 3.73Å; V327-I400 HydrophobicContact CG2-CG1 4.42Å; V327-I400 PolarHBondContact N-O 3.4Å; V327-I400 PolarHBondContact O-N 2.88Å
401P90.2Very high83.5Confident45 Ų4569.3 Ų69.329%0.29233%0.334SS..EExtended strand (participates in β ladder)trans-61.3149.7172.9-11.621.3000111E398 Y403E398-P401 WeakPolarHBondContact OE1-CG 3.47Å; P401-Y403 HydrophobicContact CB-CD2 4.12Å; P401-Y403 HydrophobicContact CB-CE2 3.64Å; P401-Y403 HydrophobicContact CG-CE2 3.88Å; P401-Y403 WeakPolarHBondContact O-CD2 3.4Å; P401-Y403 PolarHBondContact O-N 3.26Å; P401-Y403 VanDerWaalsContact O-N 3.12Å
402V89.1Confident85.8Confident47 Ų4764.1 Ų64.129%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-68.8111.4178.4-178.80000109.9F325 Y328 D429F325-V402 WeakPolarHBondContact O-CA 3.35Å; Y328-V402 HydrophobicContact CE2-CG2 4.12Å; V402-D429 HydrophobicContact CG1-CB 3.83Å
403Y90.5Very high87.8Confident130 Ų13057.4 Ų57.451%0.5126%0.262SS..EExtended strand (participates in β ladder)trans-127.1148.3172.4-71.2-66.5000110.9G324 F325 P401G324-Y403 CarbonylContact C-O 3.52Å; G324-Y403 WeakPolarHBondContact CA-O 3.32Å; F325-Y403 PolarHBondContact N-O 3.15Å; F325-Y403 PolarHBondContact O-N 2.94Å; F325-Y403 VanDerWaalsContact O-N 3.14Å; P401-Y403 HydrophobicContact CB-CD2 4.12Å; P401-Y403 HydrophobicContact CB-CE2 3.64Å; P401-Y403 HydrophobicContact CG-CE2 3.88Å; P401-Y403 WeakPolarHBondContact O-CD2 3.4Å; P401-Y403 PolarHBondContact O-N 3.26Å; P401-Y403 VanDerWaalsContact O-N 3.12Å
404R90.9Very high89.4Confident148 Ų14852.5 Ų52.556%0.55824%0.241SC*.EExtended strand (participates in β ladder)trans-64.8132.1173.8-65.8179.167.7169-0.1109.9D322 Y432D322-R404 VanDerWaalsContact CG-NH2 3.27Å; D322-R404 IonicContact OD1-CZ 3.33Å; D322-R404 IonicContact OD1-NE 2.57Å; D322-R404 IonicContact OD1-NH2 3Å; D322-R404 PolarHBondContact OD1-NH2 3.37Å; D322-R404 WeakPolarHBondContact OD2-CB 3.23Å; D322-R404 IonicContact OD2-CZ 2.86Å; D322-R404 IonicContact OD2-NE 2.78Å; D322-R404 PolarHBondContact OD2-NE 2.91Å; D322-R404 IonicContact OD2-NH2 2.71Å; D322-R404 PolarHBondContact OD2-NH2 3.27Å; R404-Y432 HydrophobicContact CG-CE1 4.09Å
405R91.1Very high90.4Very high52 Ų5251.3 Ų51.320%0.19623%0.233CC..EExtended strand (participates in β ladder)trans-126.1129-178.7-57.1-59.9178175.60.1110.2D322 I323 F325 C407 Y412D322-R405 CarbonylContact C-O 3.57Å; D322-R405 WeakPolarHBondContact CA-O 3.39Å; D322-R405 WeakPolarHBondContact CB-O 3.48Å; I323-R405 PolarHBondContact N-O 2.66Å; I323-R405 PolarHBondContact O-N 2.89Å; F325-R405 HydrophobicContact CB-CG 3.97Å; R405-C407 PolarHBondContact O-N 3.04Å; R405-C407 PolarHBondContact O-SG 3.37Å; R405-C407 VanDerWaalsContact O-SG 3.38Å; R405-Y412 HydrophobicContact CG-CE2 4.44Å; R405-Y412 PolarHBondContact NE-OH 2.86Å; R405-Y412 PolarHBondContact NH1-OH 3.39Å; R405-Y412 PolarHBondContact NH2-OH 2.71Å
406D91.4Very high91Very high65 Ų6545.3 Ų45.335%0.34821%0.211SC..  trans-71.744.6175.6-62.1-54.6000113.3H408 E409D406-H408 PolarHBondContact O-N 3.33Å; D406-H408 IonicContact OD1-CE1 2.93Å; D406-E409 HydrophobicContact CB-CG 4.47Å; D406-E409 PolarHBondContact O-N 3.11Å
407C91.2Very high91Very high1 Ų148.7 Ų48.71%0.00722%0.221CC..THydrogen-bonded Turntrans-67.74.5-178.762.20000114.8F316 A317 T318 I323 R405 E410F316-C407 HydrophobicContact CD2-CB 3.85Å; F316-C407 HydrophobicContact CE2-CB 3.57Å; A317-C407 CarbonylContact C-O 3.5Å; A317-C407 WeakPolarHBondContact CA-O 3.47Å; A317-C407 WeakPolarHBondContact CB-O 3.34Å; T318-C407 VanDerWaalsContact CG2-SG 3.58Å; T318-C407 PolarHBondContact N-O 3.12Å; T318-C407 PolarHBondContact OG1-SG 3.08Å; T318-C407 VanDerWaalsContact OG1-SG 3.35Å; I323-C407 VanDerWaalsContact CG2-SG 3.52Å; R405-C407 PolarHBondContact O-N 3.04Å; R405-C407 PolarHBondContact O-SG 3.37Å; R405-C407 VanDerWaalsContact O-SG 3.38Å; C407-E410 CarbonylContact C-O 3.52Å; C407-E410 VanDerWaalsContact CA-O 3.27Å; C407-E410 WeakPolarHBondContact CA-O 3.47Å
408H90.9Very high91.1Very high52 Ų5248.9 Ų48.924%0.24122%0.22CC..THydrogen-bonded Turntrans-88-16.3167.862.6-70.2000112.7I275 T318 Y321 D322 D406I275-H408 VanDerWaalsContact CD1-C 3.43Å; I275-H408 WeakPolarHBondContact CD1-O 3.03Å; T318-H408 WeakPolarHBondContact O-CA 3.45Å; T318-H408 WeakPolarHBondContact OG1-CA 3.45Å; T318-H408 WeakPolarHBondContact OG1-CB 3.14Å; T318-H408 PolarHBondContact OG1-N 3.3Å; Y321-H408 VanDerWaalsContact C-CG 3.45Å; Y321-H408 VanDerWaalsContact N-CB 3.31Å; Y321-H408 VanDerWaalsContact N-CG 3.26Å; Y321-H408 WeakPolarHBondContact O-CB 3.28Å; Y321-H408 PolarHBondContact O-ND1 2.98Å; D322-H408 PolarHBondContact N-ND1 3.37Å; D406-H408 PolarHBondContact O-N 3.33Å; D406-H408 IonicContact OD1-CE1 2.93Å
409E92.2Very high90.8Very high107 Ų10744.9 Ų44.950%0.520%0.202SC..THydrogen-bonded Turntrans-98.3-37.1178-53.7-165.2152.500111.1D406D406-E409 HydrophobicContact CB-CG 4.47Å; D406-E409 PolarHBondContact O-N 3.11Å
410E92.5Very high90.7Very high42 Ų4244.9 Ų44.920%0.19621%0.209CC..SBendtrans-138.8159.7-177.158.8-172.3170.100112.7N271 R272 Q273 C407N271-E410 HydrophobicContact CB-CG 4.16Å; N271-E410 WeakPolarHBondContact CB-OE2 3.18Å; N271-E410 PolarHBondContact ND2-OE1 3.39Å; N271-E410 PolarHBondContact ND2-OE2 3.17Å; N271-E410 VanDerWaalsContact ND2-OE2 3.17Å; R272-E410 WeakPolarHBondContact O-CB 3.41Å; Q273-E410 PolarHBondContact NE2-OE2 2.89Å; C407-E410 CarbonylContact C-O 3.52Å; C407-E410 VanDerWaalsContact CA-O 3.27Å; C407-E410 WeakPolarHBondContact CA-O 3.47Å
411V94.3Very high90.6Very high0 Ų051 Ų510%023%0.232CC..EExtended strand (participates in β ladder)trans-80.4121.2172.5-173.70000108.3N271 R272 I275 F278 E315N271-V411 CarbonylContact C-O 3.46Å; N271-V411 VanDerWaalsContact CA-O 3.29Å; N271-V411 WeakPolarHBondContact CA-O 3.2Å; R272-V411 HydrophobicContact CB-CB 4.14Å; R272-V411 PolarHBondContact N-O 3.47Å; R272-V411 PolarHBondContact O-N 3.42Å; I275-V411 HydrophobicContact CB-CG2 4.13Å; I275-V411 HydrophobicContact CG1-CG2 4.39Å; F278-V411 HydrophobicContact CB-CG2 3.59Å; F278-V411 HydrophobicContact CD1-CG1 4.06Å; F278-V411 HydrophobicContact CD1-CG2 3.94Å; F278-V411 HydrophobicContact CD2-CG1 4.06Å; F278-V411 HydrophobicContact CE1-CG1 4.22Å; F278-V411 HydrophobicContact CE2-CG1 4.22Å; F278-V411 HydrophobicContact CG-CG1 3.98Å; F278-V411 HydrophobicContact CG-CG2 3.77Å; F278-V411 HydrophobicContact CZ-CG1 4.3Å; E315-V411 HydrophobicContact CB-CG1 4.23Å
412Y96.1Very high90.6Very high14 Ų1448.9 Ų48.96%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-89.7125.6175.4-158.6-97.9000109.7L269 N271 E315 F316 F325 R405L269-Y412 WeakPolarHBondContact CD1-OH 3.29Å; L269-Y412 HydrophobicContact CD2-CE1 3.65Å; N271-Y412 WeakPolarHBondContact OD1-CD2 3.39Å; N271-Y412 VanDerWaalsContact OD1-CE2 3.28Å; N271-Y412 WeakPolarHBondContact OD1-CE2 3.33Å; E315-Y412 CarbonylContact C-O 3.47Å; E315-Y412 VanDerWaalsContact CA-O 3.32Å; E315-Y412 WeakPolarHBondContact CA-O 3.26Å; F316-Y412 HydrophobicContact CD1-CD1 4.47Å; F316-Y412 AromaticContact CE1-CD1 3.47Å; F316-Y412 HydrophobicContact CE1-CD1 3.47Å; F316-Y412 VanDerWaalsContact CE1-CD1 3.47Å; F316-Y412 HydrophobicContact CE1-CE1 4.46Å; F316-Y412 HydrophobicContact CE1-CG 4.06Å; F316-Y412 AromaticContact CZ-CD1 3.55Å; F316-Y412 HydrophobicContact CZ-CD1 3.55Å; F316-Y412 HydrophobicContact CZ-CE1 4.49Å; F316-Y412 AromaticContact CZ-CG 3.85Å; F316-Y412 HydrophobicContact CZ-CG 3.85Å; F316-Y412 PolarHBondContact N-O 3.11Å; F316-Y412 PolarHBondContact O-N 3.5Å; F325-Y412 HydrophobicContact CD1-CD1 4.26Å; F325-Y412 HydrophobicContact CD1-CE1 4.05Å; F325-Y412 HydrophobicContact CE1-CD1 4.45Å; F325-Y412 HydrophobicContact CE1-CE1 4.27Å; R405-Y412 HydrophobicContact CG-CE2 4.44Å; R405-Y412 PolarHBondContact NE-OH 2.86Å; R405-Y412 PolarHBondContact NH1-OH 3.39Å; R405-Y412 PolarHBondContact NH2-OH 2.71Å
413A93.4Very high90.8Very high0 Ų047 Ų470%021%0.206CC..EExtended strand (participates in β ladder)trans-130.8155.8-17600000111.6L269 W270 W314 E315L269-A413 WeakPolarHBondContact CA-O 3.48Å; W270-A413 HydrophobicContact CD2-CB 4.25Å; W270-A413 HydrophobicContact CG-CB 4.38Å; W270-A413 HydrophobicContact CZ2-CB 4.03Å; W270-A413 PolarHBondContact N-O 3.15Å; W270-A413 CarbonylContact O-C 3.4Å; W270-A413 WeakPolarHBondContact O-CA 3.33Å; W270-A413 WeakPolarHBondContact O-CB 3.35Å; W270-A413 PolarHBondContact O-N 2.78Å; W314-A413 CarbonylContact O-C 3.53Å; W314-A413 VanDerWaalsContact O-CA 3.25Å; W314-A413 WeakPolarHBondContact O-CA 3.35Å; E315-A413 HydrophobicContact CG-CB 3.91Å
414G90.9Very high91Very high0 Ų040.8 Ų40.80%018%0.182CC..EExtended strand (participates in β ladder)trans-167.7171175.500000113.7S268 F313 W314S268-G414 CarbonylContact O-C 3.42Å; S268-G414 WeakPolarHBondContact O-CA 3.29Å; F313-G414 WeakPolarHBondContact CA-O 3.38Å; W314-G414 PolarHBondContact N-O 3.34Å; W314-G414 PolarHBondContact O-N 3Å
415S90.7Very high91.2Very high19 Ų1933.9 Ų33.913%0.13316%0.156CC..EExtended strand (participates in β ladder)trans-144.9150.1175.368.60000112S268 L312 F313S268-S415 PolarHBondContact N-O 3.24Å; S268-S415 PolarHBondContact O-N 2.92Å; L312-S415 CarbonylContact O-C 3.59Å; L312-S415 WeakPolarHBondContact O-CA 3.13Å; F313-S415 VanDerWaalsContact CD1-CB 3.47Å; F313-S415 VanDerWaalsContact CE1-CB 3.45Å
416H91.1Very high91.5Very high2 Ų231.5 Ų31.51%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-140.8133.1175.2-174.9-101.7000110.7I264 S265 A267 C311 L312 W314 I399 Y424I264-H416 WeakPolarHBondContact CG2-NE2 3.13Å; S265-H416 PolarHBondContact O-CD2 3.21Å; S265-H416 VanDerWaalsContact O-CD2 3.3Å; S265-H416 PolarHBondContact O-NE2 2.92Å; A267-H416 HydrophobicContact CB-CB 4.33Å; C311-H416 CarbonylContact C-O 3.51Å; C311-H416 VanDerWaalsContact CA-O 3.25Å; C311-H416 WeakPolarHBondContact CA-O 3.35Å; L312-H416 PolarHBondContact N-O 2.99Å; L312-H416 PolarHBondContact O-N 2.98Å; W314-H416 HydrophobicContact CH2-CB 3.85Å; W314-H416 HydrophobicContact CZ3-CB 3.78Å; I399-H416 VanDerWaalsContact CD1-CE1 3.49Å; I399-H416 WeakPolarHBondContact CD1-CE1 3.42Å; I399-H416 WeakPolarHBondContact CG2-CD2 3.38Å; H416-Y424 HydrophobicContact CB-CE1 4.02Å; H416-Y424 AromaticContact CG-CE1 3.97Å; H416-Y424 AromaticContact ND1-CE1 3.33Å; H416-Y424 VanDerWaalsContact ND1-CE1 3.33Å; H416-Y424 WeakPolarHBondContact ND1-CE1 3.19Å; H416-Y424 AromaticContact ND1-CZ 3.48Å; H416-Y424 PolarHBondContact ND1-OH 3.28Å
417R87.3Confident91.8Very high133 Ų13331.1 Ų31.150%0.50214%0.143SC..EExtended strand (participates in β ladder)trans-72.4137.8174.1175.5172.2-73-77.5-0.8109.2P419 Y424R417-P419 WeakPolarHBondContact O-CD 3.45Å; R417-P419 VanDerWaalsContact O-N 3.17Å; R417-Y424 PolarHBondContact O-OH 3.48Å
418Y88.6Confident92Very high35 Ų3531.1 Ų31.114%0.13714%0.142CC..  trans-57.3122.3178.6-64.5-4.2000110.7T305 H306 G309 S310 L312 Y424 Y446T305-Y418 HydrophobicContact CG2-CD1 4.23Å; T305-Y418 HydrophobicContact CG2-CD2 4.18Å; T305-Y418 HydrophobicContact CG2-CE1 4.34Å; T305-Y418 HydrophobicContact CG2-CE2 4.31Å; T305-Y418 HydrophobicContact CG2-CG 4.14Å; H306-Y418 WeakPolarHBondContact O-CE2 3.23Å; G309-Y418 WeakPolarHBondContact O-CD2 3.34Å; G309-Y418 WeakPolarHBondContact O-CE2 3.45Å; S310-Y418 PolarHBondContact O-N 3Å; L312-Y418 HydrophobicContact CB-CE1 4.12Å; Y418-Y424 WeakPolarHBondContact CA-OH 3.34Å; Y418-Y424 AromaticContact CD1-CE2 3.75Å; Y418-Y424 HydrophobicContact CD1-CE2 3.75Å; Y418-Y424 WeakPolarHBondContact CD1-OH 3.35Å; Y418-Y424 AromaticContact CE1-CE2 3.95Å; Y418-Y424 HydrophobicContact CE1-CE2 3.95Å; Y418-Y446 WeakPolarHBondContact OH-CD1 3.35Å
419P85.3Confident92.1Very high18 Ų1830 Ų3012%0.11714%0.138CC..SBendtrans-75.3-22171.832-32.7000110.8P262 I264 F329 W331 R417P262-P419 WeakPolarHBondContact CB-O 3.25Å; P262-P419 WeakPolarHBondContact CG-O 3.37Å; I264-P419 HydrophobicContact CG1-CB 3.92Å; I264-P419 HydrophobicContact CG1-CG 4.49Å; F329-P419 HydrophobicContact CD1-CG 3.76Å; F329-P419 HydrophobicContact CD2-CG 3.85Å; F329-P419 HydrophobicContact CE1-CG 3.75Å; F329-P419 HydrophobicContact CE2-CG 3.84Å; F329-P419 HydrophobicContact CG-CG 3.8Å; F329-P419 HydrophobicContact CZ-CG 3.77Å; W331-P419 HydrophobicContact CH2-CB 3.9Å; W331-P419 HydrophobicContact CH2-CG 4.17Å; W331-P419 HydrophobicContact CZ2-CB 4.27Å; W331-P419 HydrophobicContact CZ2-CG 4.36Å; R417-P419 WeakPolarHBondContact O-CD 3.45Å; R417-P419 VanDerWaalsContact O-N 3.17Å
420G86.8Confident92.1Very high26 Ų2625 Ų2527%0.26812%0.115SC..SBendtrans178.1-165.117700000110.3F329F329-G420 WeakPolarHBondContact CZ-O 3.22Å
421R88.2Confident91.5Very high135 Ų13524.9 Ų24.951%0.50912%0.119SC..SBendtrans-78.2131.6168.2-78.417750.3139.10.2109.8T305 E307 V333T305-R421 WeakPolarHBondContact OG1-CA 3.4Å; E307-R421 IonicContact OE1-CZ 3.12Å; E307-R421 IonicContact OE1-NH1 3.58Å; E307-R421 PolarHBondContact OE1-NH1 2.57Å; V333-R421 HydrophobicContact CG2-CB 4.19Å
422G90.4Very high90.8Very high1 Ų128 Ų281%0.0113%0.131CC..SBendtrans177.1-155.1-177.500000112.3T305 F329 E330 T332T305-G422 PolarHBondContact N-O 2.79Å; T305-G422 PolarHBondContact OG1-N 3.42Å; T305-G422 PolarHBondContact OG1-O 3.02Å; T305-G422 VanDerWaalsContact OG1-O 3.12Å; F329-G422 VanDerWaalsContact CZ-CA 3.47Å; E330-G422 WeakPolarHBondContact O-CA 3.42Å; T332-G422 CarbonylContact O-C 3.52Å; T332-G422 VanDerWaalsContact O-CA 3.29Å; T332-G422 WeakPolarHBondContact O-CA 3.33Å
423I92.5Very high89.8Confident7 Ų727.5 Ų27.54%0.03613%0.129CC..EExtended strand (participates in β ladder)trans-131.3126.7-179.8-58.7163.1000108.9R302 E330 T332 A334 L425R302-I423 HydrophobicContact CB-CG2 3.92Å; R302-I423 VanDerWaalsContact NH2-CD1 3.3Å; E330-I423 HydrophobicContact CB-CB 4.32Å; E330-I423 PolarHBondContact N-O 3.32Å; E330-I423 PolarHBondContact O-N 3.45Å; T332-I423 WeakPolarHBondContact O-CG1 3.42Å; A334-I423 HydrophobicContact CB-CD1 3.86Å; A334-I423 HydrophobicContact CB-CG1 4.05Å; I423-L425 HydrophobicContact CG2-CD2 3.95Å
424Y95.1Very high88.8Confident0 Ų029.6 Ų29.60%014%0.14CC..EExtended strand (participates in β ladder)trans-78.8137.9168.6-76-94.5000110.5R302 V303 T305 L312 V327 F329 I399 H416 R417 Y418R302-Y424 CarbonylContact C-O 3.56Å; R302-Y424 WeakPolarHBondContact CA-O 3.37Å; V303-Y424 PolarHBondContact N-O 3.28Å; V303-Y424 PolarHBondContact O-N 3.46Å; T305-Y424 HydrophobicContact CG2-CD2 4.21Å; T305-Y424 HydrophobicContact CG2-CE2 3.9Å; L312-Y424 HydrophobicContact CB-CD2 4.23Å; L312-Y424 HydrophobicContact CB-CE1 4.44Å; L312-Y424 HydrophobicContact CB-CE2 3.99Å; L312-Y424 HydrophobicContact CD2-CD1 3.72Å; L312-Y424 HydrophobicContact CD2-CD2 3.68Å; L312-Y424 HydrophobicContact CD2-CE1 4.28Å; L312-Y424 HydrophobicContact CD2-CE2 4.25Å; L312-Y424 HydrophobicContact CD2-CG 3.38Å; V327-Y424 HydrophobicContact CG1-CD1 3.92Å; F329-Y424 HydrophobicContact CD2-CD1 4.23Å; F329-Y424 HydrophobicContact CD2-CD2 4.1Å; F329-Y424 HydrophobicContact CD2-CE1 4.14Å; F329-Y424 HydrophobicContact CD2-CE2 4Å; F329-Y424 HydrophobicContact CD2-CG 4.21Å; F329-Y424 HydrophobicContact CE2-CD2 4.04Å; F329-Y424 AromaticContact CE2-CE2 3.77Å; F329-Y424 HydrophobicContact CE2-CE2 3.77Å; I399-Y424 HydrophobicContact CD1-CD1 3.94Å; I399-Y424 HydrophobicContact CD1-CE1 3.56Å; H416-Y424 HydrophobicContact CB-CE1 4.02Å; H416-Y424 AromaticContact CG-CE1 3.97Å; H416-Y424 AromaticContact ND1-CE1 3.33Å; H416-Y424 VanDerWaalsContact ND1-CE1 3.33Å; H416-Y424 WeakPolarHBondContact ND1-CE1 3.19Å; H416-Y424 AromaticContact ND1-CZ 3.48Å; H416-Y424 PolarHBondContact ND1-OH 3.28Å; R417-Y424 PolarHBondContact O-OH 3.48Å; Y418-Y424 WeakPolarHBondContact CA-OH 3.34Å; Y418-Y424 AromaticContact CD1-CE2 3.75Å; Y418-Y424 HydrophobicContact CD1-CE2 3.75Å; Y418-Y424 WeakPolarHBondContact CD1-OH 3.35Å; Y418-Y424 AromaticContact CE1-CE2 3.95Å; Y418-Y424 HydrophobicContact CE1-CE2 3.95Å
425L95.7Very high87.9Confident3 Ų331.6 Ų31.62%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-115.797.8177.1-49.3-179.8000108.3T300 R302 V327 Y328 E330 Q396 I423 K427T300-L425 HydrophobicContact CG2-CB 3.84Å; T300-L425 HydrophobicContact CG2-CD2 4.28Å; R302-L425 HydrophobicContact CB-CD2 4.38Å; R302-L425 HydrophobicContact CG-CD2 3.75Å; R302-L425 VanDerWaalsContact NH1-CD2 3.27Å; V327-L425 WeakPolarHBondContact CA-O 3.3Å; Y328-L425 PolarHBondContact N-O 3.22Å; Y328-L425 PolarHBondContact O-N 3.25Å; E330-L425 HydrophobicContact CB-CD1 4.2Å; E330-L425 HydrophobicContact CB-CG 4.39Å; Q396-L425 HydrophobicContact CG-CD1 4.02Å; I423-L425 HydrophobicContact CG2-CD2 3.95Å; L425-K427 PolarHBondContact O-N 3.43Å
426L97.2Very high87.1Confident1 Ų132 Ų321%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-85.1105.9174.3-79.866.9000107.6T300 V301 V303 L312 W314 F325 V327 F428 V444T300-L426 WeakPolarHBondContact CA-O 3.39Å; V301-L426 HydrophobicContact CB-CB 4.21Å; V301-L426 PolarHBondContact N-O 3.23Å; V301-L426 PolarHBondContact O-N 2.96Å; V303-L426 HydrophobicContact CG2-CD1 4.33Å; L312-L426 HydrophobicContact CD2-CD1 3.95Å; W314-L426 HydrophobicContact CB-CD2 3.73Å; W314-L426 HydrophobicContact CG-CD2 4.19Å; F325-L426 HydrophobicContact CE2-CB 4.21Å; F325-L426 HydrophobicContact CE2-CD2 4.42Å; F325-L426 HydrophobicContact CE2-CG 4.2Å; F325-L426 HydrophobicContact CZ-CG 4.39Å; V327-L426 HydrophobicContact CG2-CG 4.41Å; L426-F428 HydrophobicContact CB-CE2 4.05Å; L426-V444 HydrophobicContact CD2-CG1 3.67Å
427K96.4Very high86.9Confident58 Ų5834.3 Ų34.325%0.25216%0.163SC..EExtended strand (participates in β ladder)trans-94122.2-178.2-66.8-162178.7-178.30110.2T300 F325 G326 Y328 L425T300-K427 HydrophobicContact CG2-CG 4.15Å; F325-K427 WeakPolarHBondContact CA-O 3.22Å; G326-K427 PolarHBondContact N-O 3.03Å; G326-K427 PolarHBondContact O-N 3.35Å; Y328-K427 HydrophobicContact CD2-CD 3.84Å; Y328-K427 HydrophobicContact CD2-CG 4.09Å; Y328-K427 HydrophobicContact CE2-CD 3.73Å; Y328-K427 HydrophobicContact CE2-CG 4.28Å; L425-K427 PolarHBondContact O-N 3.43Å
428F96.5Very high87.1Confident1 Ų128.4 Ų28.40%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-108.9102.2172.6-63.9-78.7000108.7V293 T298 V299 V301 F316 I323 G324 F325 L426 L440V293-F428 HydrophobicContact CG2-CB 4.48Å; T298-F428 WeakPolarHBondContact CA-O 3.27Å; V299-F428 HydrophobicContact CB-CB 4.41Å; V299-F428 PolarHBondContact N-O 3.47Å; V299-F428 PolarHBondContact O-N 3.12Å; V301-F428 HydrophobicContact CG2-CD2 4.13Å; V301-F428 HydrophobicContact CG2-CE2 3.85Å; F316-F428 HydrophobicContact CB-CE1 4.11Å; F316-F428 HydrophobicContact CB-CZ 4.36Å; F316-F428 AromaticContact CD1-CE1 3.83Å; F316-F428 HydrophobicContact CD1-CE1 3.83Å; F316-F428 HydrophobicContact CD1-CZ 4.24Å; F316-F428 AromaticContact CD2-CE1 3.83Å; F316-F428 HydrophobicContact CD2-CE1 3.83Å; F316-F428 HydrophobicContact CE1-CE1 4.14Å; F316-F428 HydrophobicContact CE2-CE1 4.16Å; F316-F428 AromaticContact CG-CE1 3.66Å; F316-F428 HydrophobicContact CG-CE1 3.66Å; F316-F428 HydrophobicContact CG-CZ 4.25Å; F316-F428 HydrophobicContact CZ-CE1 4.31Å; I323-F428 HydrophobicContact CD1-CB 3.92Å; I323-F428 HydrophobicContact CG2-CD1 4.25Å; G324-F428 CarbonylContact O-C 3.55Å; G324-F428 WeakPolarHBondContact O-CA 3.4Å; F325-F428 AromaticContact CD2-CD1 3.95Å; F325-F428 HydrophobicContact CD2-CD1 3.95Å; F325-F428 AromaticContact CD2-CE1 3.58Å; F325-F428 HydrophobicContact CD2-CE1 3.58Å; F325-F428 HydrophobicContact CD2-CZ 4.07Å; F325-F428 AromaticContact CE2-CE1 3.9Å; F325-F428 HydrophobicContact CE2-CE1 3.9Å; F325-F428 AromaticContact CE2-CZ 3.92Å; F325-F428 HydrophobicContact CE2-CZ 3.92Å; L426-F428 HydrophobicContact CB-CE2 4.05Å; F428-L440 HydrophobicContact CB-CD2 4.12Å; F428-L440 HydrophobicContact CD1-CD1 3.74Å; F428-L440 HydrophobicContact CD1-CD2 3.52Å; F428-L440 HydrophobicContact CD1-CG 4.29Å; F428-L440 HydrophobicContact CD2-CD2 3.53Å; F428-L440 HydrophobicContact CE1-CD1 3.69Å; F428-L440 HydrophobicContact CE1-CD2 3.71Å; F428-L440 HydrophobicContact CE1-CG 4.31Å; F428-L440 HydrophobicContact CE2-CD2 3.71Å; F428-L440 HydrophobicContact CG-CD1 4.48Å; F428-L440 HydrophobicContact CG-CD2 3.43Å; F428-L440 VanDerWaalsContact CG-CD2 3.43Å; F428-L440 HydrophobicContact CZ-CD1 4.39Å; F428-L440 HydrophobicContact CZ-CD2 3.79Å
429D92.8Very high87.4Confident29 Ų2928.7 Ų28.716%0.15515%0.146CC..EExtended strand (participates in β ladder)trans-99.7118.9-170.1176.517000110.9T298 I323 G324 V402 S431 Y432T298-D429 HydrophobicContact CG2-CB 4.44Å; T298-D429 PolarHBondContact OG1-OD1 3.31Å; I323-D429 WeakPolarHBondContact CG1-O 3.47Å; G324-D429 WeakPolarHBondContact CA-O 3.36Å; G324-D429 PolarHBondContact N-O 2.61Å; G324-D429 PolarHBondContact O-N 3.24Å; V402-D429 HydrophobicContact CG1-CB 3.83Å; D429-S431 WeakPolarHBondContact OD1-CB 3.44Å; D429-S431 PolarHBondContact OD1-N 3.4Å; D429-S431 PolarHBondContact OD1-OG 3.33Å; D429-S431 PolarHBondContact OD2-OG 3.38Å; D429-Y432 WeakPolarHBondContact O-CE1 3.35Å
430N91.6Very high87.9Confident0 Ų027.8 Ų27.80%014%0.141CC..  trans-121.719.7171.5-163.330.6000111.7V293 G294 G296 E297 Y432 S433 R436 K438V293-N430 HydrophobicContact CB-CB 4.33Å; V293-N430 HydrophobicContact CG1-CB 3.46Å; V293-N430 VanDerWaalsContact CG1-CB 3.46Å; V293-N430 PolarHBondContact O-ND2 3.33Å; G294-N430 WeakPolarHBondContact O-CB 3.37Å; G294-N430 PolarHBondContact O-ND2 2.87Å; G296-N430 PolarHBondContact N-O 3.32Å; G296-N430 VanDerWaalsContact N-O 3.1Å; E297-N430 CarbonylContact O-C 3.59Å; E297-N430 VanDerWaalsContact O-C 3.28Å; E297-N430 VanDerWaalsContact O-CA 3.29Å; E297-N430 WeakPolarHBondContact O-CA 3.1Å; E297-N430 WeakPolarHBondContact O-CB 3.48Å; E297-N430 PolarHBondContact O-N 2.76Å; N430-Y432 PolarHBondContact O-N 3.28Å; N430-S433 WeakPolarHBondContact O-CB 3.19Å; N430-S433 PolarHBondContact O-N 2.84Å; N430-S433 WeakPolarHBondContact OD1-CB 3.37Å; N430-R436 PolarHBondContact ND2-O 3.41Å; N430-K438 WeakPolarHBondContact OD1-CD 3.48Å; N430-K438 WeakPolarHBondContact OD1-CE 3.28Å
431S81.7Confident88.4Confident40 Ų4027 Ų2728%0.2813%0.129SC..THydrogen-bonded Turntrans-59.6-30.8179.863.50000113.1E297 D429 S433E297-S431 PolarHBondContact O-N 3.42Å; D429-S431 WeakPolarHBondContact OD1-CB 3.44Å; D429-S431 PolarHBondContact OD1-N 3.4Å; D429-S431 PolarHBondContact OD1-OG 3.33Å; D429-S431 PolarHBondContact OD2-OG 3.38Å; S431-S433 VanDerWaalsContact C-N 3.32Å
432Y79.3Confident88.9Confident66 Ų6621.5 Ų21.526%0.25911%0.109SC..THydrogen-bonded Turntrans-77.3-17.1177.858.4-96.1000113.4D322 I323 G324 R404 D429 N430D322-Y432 PolarHBondContact O-OH 3.26Å; I323-Y432 WeakPolarHBondContact CA-OH 3.16Å; G324-Y432 PolarHBondContact N-OH 3.26Å; G324-Y432 VanDerWaalsContact N-OH 3.15Å; R404-Y432 HydrophobicContact CG-CE1 4.09Å; D429-Y432 WeakPolarHBondContact O-CE1 3.35Å; N430-Y432 PolarHBondContact O-N 3.28Å
433S74.1Confident89.1Confident3 Ų325.7 Ų25.72%0.02112%0.124CC..  trans-78132.9174.6177.40000109.5H295 G296 N430 S431 R436H295-S433 WeakPolarHBondContact CB-O 3.09Å; G296-S433 PolarHBondContact N-O 3.44Å; N430-S433 WeakPolarHBondContact O-CB 3.19Å; N430-S433 PolarHBondContact O-N 2.84Å; N430-S433 WeakPolarHBondContact OD1-CB 3.37Å; S431-S433 VanDerWaalsContact C-N 3.32Å; S433-R436 WeakPolarHBondContact CB-O 3.4Å; S433-R436 WeakPolarHBondContact OG-CA 3.07Å; S433-R436 WeakPolarHBondContact OG-CB 3.36Å; S433-R436 PolarHBondContact OG-N 3.32Å; S433-R436 PolarHBondContact OG-O 2.81Å
434L73.4Confident89.1Confident44 Ų4426.9 Ų26.923%0.2313%0.132CC..SBendtrans-99.1-14.3-172.4-64.3172.4000113.2K119 I122 H295K119-L434 HydrophobicContact CD-CD1 3.49Å; K119-L434 VanDerWaalsContact CD-CD1 3.49Å; K119-L434 HydrophobicContact CD-CD2 3.8Å; K119-L434 HydrophobicContact CD-CG 4.3Å; I122-L434 HydrophobicContact CB-CD1 4.38Å; I122-L434 HydrophobicContact CG2-CD1 4.2Å; H295-L434 PolarHBondContact CD2-O 3.45Å
435W70.9Confident88.9Confident43 Ų4331 Ų3116%0.16315%0.148CC..SBendtrans-157.1-14.8175.445.679.9000113.5I122 K123 E126I122-W435 HydrophobicContact CB-CH2 3.74Å; I122-W435 HydrophobicContact CB-CZ2 4.43Å; I122-W435 HydrophobicContact CG2-CH2 3.5Å; I122-W435 VanDerWaalsContact CG2-CH2 3.5Å; I122-W435 HydrophobicContact CG2-CZ2 3.85Å; I122-W435 WeakPolarHBondContact O-CH2 3.43Å; I122-W435 WeakPolarHBondContact O-CZ2 3.28Å; K123-W435 HydrophobicContact CB-CD2 4.01Å; K123-W435 HydrophobicContact CB-CE3 3.42Å; K123-W435 VanDerWaalsContact CB-CE3 3.42Å; K123-W435 HydrophobicContact CB-CH2 3.74Å; K123-W435 HydrophobicContact CB-CZ2 4.24Å; K123-W435 HydrophobicContact CB-CZ3 3.2Å; K123-W435 HydrophobicContact CD-CD2 4.47Å; K123-W435 HydrophobicContact CD-CE3 3.82Å; K123-W435 HydrophobicContact CD-CZ3 4.31Å; K123-W435 HydrophobicContact CG-CD2 3.68Å; K123-W435 HydrophobicContact CG-CE3 3.33Å; K123-W435 HydrophobicContact CG-CG 4.32Å; K123-W435 HydrophobicContact CG-CH2 4.49Å; K123-W435 HydrophobicContact CG-CZ3 3.73Å; K123-W435 VanDerWaalsContact N-CZ3 3.32Å; E126-W435 HydrophobicContact CB-CZ2 3.29Å; E126-W435 HydrophobicContact CG-CZ2 3.36Å; E126-W435 WeakPolarHBondContact OE2-CZ2 3.4Å; E126-W435 PolarHBondContact OE2-NE1 3.23Å
436R73.4Confident88.4Confident28 Ų2834 Ų3411%0.10616%0.16CC..  trans-86.5118.8-177.9-59.5175.7170.8161.6-12.5110.8E126 E129 Y321 N430 S433E126-R436 VanDerWaalsContact C-NH2 3.3Å; E126-R436 VanDerWaalsContact CG-NH1 3.26Å; E126-R436 PolarHBondContact O-NE 2.9Å; E126-R436 PolarHBondContact O-NH2 2.82Å; E126-R436 IonicContact OE1-NH1 3.97Å; E126-R436 PolarHBondContact OE1-NH1 3.07Å; E126-R436 WeakPolarHBondContact OE2-CD 3.43Å; E126-R436 VanDerWaalsContact OE2-CG 3.31Å; E126-R436 WeakPolarHBondContact OE2-CG 3.5Å; E126-R436 IonicContact OE2-CZ 2.95Å; E126-R436 IonicContact OE2-NE 3.53Å; E126-R436 PolarHBondContact OE2-NE 3.01Å; E126-R436 VanDerWaalsContact OE2-NE 3.07Å; E126-R436 IonicContact OE2-NH1 3.55Å; E126-R436 PolarHBondContact OE2-NH1 3.3Å; E129-R436 IonicContact OE2-CZ 2.56Å; E129-R436 IonicContact OE2-NH1 3.99Å; E129-R436 IonicContact OE2-NH2 3.99Å; E129-R436 PolarHBondContact OE2-NH2 2.76Å; Y321-R436 VanDerWaalsContact CZ-CZ 3.42Å; Y321-R436 PolarHBondContact OH-NH2 3Å; N430-R436 PolarHBondContact ND2-O 3.41Å; S433-R436 WeakPolarHBondContact CB-O 3.4Å; S433-R436 WeakPolarHBondContact OG-CA 3.07Å; S433-R436 WeakPolarHBondContact OG-CB 3.36Å; S433-R436 PolarHBondContact OG-N 3.32Å; S433-R436 PolarHBondContact OG-O 2.81Å
437S87.3Confident87.6Confident50 Ų5035.2 Ų35.235%0.3517%0.168SC..  trans-79.1147.3160.861.60000110.9K292 V293K292-S437 WeakPolarHBondContact CE-OG 3.49Å; V293-S437 CarbonylContact O-C 3.57Å; V293-S437 WeakPolarHBondContact O-CA 3.24Å; V293-S437 WeakPolarHBondContact O-CB 3.17Å
438K91.9Very high85.8Confident8 Ų844.4 Ų44.44%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-113.9133.5176.9-61.1175.4-166.2-83.50109.7K292 V293 T318 D322 I323 N430K292-K438 CarbonylContact C-O 3.45Å; K292-K438 WeakPolarHBondContact CA-O 3.3Å; V293-K438 PolarHBondContact N-O 3.02Å; V293-K438 PolarHBondContact O-N 3.34Å; T318-K438 HydrophobicContact CG2-CB 4.49Å; D322-K438 WeakPolarHBondContact O-CD 3.18Å; D322-K438 WeakPolarHBondContact O-CE 3.31Å; D322-K438 PolarHBondContact O-NZ 2.93Å; D322-K438 IonicContact OD1-NZ 2.79Å; I323-K438 HydrophobicContact CB-CD 4.05Å; I323-K438 HydrophobicContact CD1-CB 4.42Å; I323-K438 HydrophobicContact CD1-CD 4.13Å; I323-K438 HydrophobicContact CG1-CD 3.97Å; N430-K438 WeakPolarHBondContact OD1-CD 3.48Å; N430-K438 WeakPolarHBondContact OD1-CE 3.28Å
439T94.6Very high85.2Confident41 Ų4146.6 Ų46.625%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-90.2113.1170.4-59.10000108.1I290 T318 D319 Y441I290-T439 HydrophobicContact CG2-CG2 3.87Å; T318-T439 CarbonylContact C-O 3.53Å; T318-T439 WeakPolarHBondContact CA-O 3.47Å; D319-T439 PolarHBondContact N-O 2.99Å; D319-T439 WeakPolarHBondContact OD2-CB 3.5Å; T439-Y441 HydrophobicContact CG2-CE2 3.85Å
440L96.7Very high84.8Confident0 Ų047.5 Ų47.50%022%0.222CC..EExtended strand (participates in β ladder)trans-96.4130.1179.5178.571.9000110I290 I291 V293 F316 T318 F428 Y442I290-L440 CarbonylContact C-O 3.59Å; I290-L440 WeakPolarHBondContact CA-O 3.4Å; I291-L440 PolarHBondContact N-O 2.88Å; I291-L440 WeakPolarHBondContact O-CB 3.48Å; I291-L440 PolarHBondContact O-N 3.23Å; V293-L440 HydrophobicContact CG2-CB 4.35Å; F316-L440 HydrophobicContact CB-CD1 3.97Å; F316-L440 HydrophobicContact CD2-CD1 3.91Å; F316-L440 HydrophobicContact CG-CD1 4.28Å; T318-L440 HydrophobicContact CG2-CD1 4.11Å; F428-L440 HydrophobicContact CB-CD2 4.12Å; F428-L440 HydrophobicContact CD1-CD1 3.74Å; F428-L440 HydrophobicContact CD1-CD2 3.52Å; F428-L440 HydrophobicContact CD1-CG 4.29Å; F428-L440 HydrophobicContact CD2-CD2 3.53Å; F428-L440 HydrophobicContact CE1-CD1 3.69Å; F428-L440 HydrophobicContact CE1-CD2 3.71Å; F428-L440 HydrophobicContact CE1-CG 4.31Å; F428-L440 HydrophobicContact CE2-CD2 3.71Å; F428-L440 HydrophobicContact CG-CD1 4.48Å; F428-L440 HydrophobicContact CG-CD2 3.43Å; F428-L440 VanDerWaalsContact CG-CD2 3.43Å; F428-L440 HydrophobicContact CZ-CD1 4.39Å; F428-L440 HydrophobicContact CZ-CD2 3.79Å; L440-Y442 HydrophobicContact CD2-CD1 4.49Å
441Y97.7Very high84.5Confident8 Ų850.2 Ų50.23%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-106.5122.9167.5-57.6-92.6000106.8K279 I282 K283 G289 I290 F316 A317 D319 T439K279-Y441 HydrophobicContact CB-CD1 4.49Å; K279-Y441 HydrophobicContact CD-CD2 4.31Å; K279-Y441 HydrophobicContact CD-CE2 4.25Å; K279-Y441 HydrophobicContact CG-CD1 4.46Å; K279-Y441 HydrophobicContact CG-CD2 3.83Å; K279-Y441 HydrophobicContact CG-CE2 4.13Å; K279-Y441 HydrophobicContact CG-CG 4.01Å; I282-Y441 HydrophobicContact CB-CD1 4.24Å; I282-Y441 HydrophobicContact CG2-CD1 4.04Å; K283-Y441 HydrophobicContact CD-CE1 4.2Å; K283-Y441 VanDerWaalsContact CE-CZ 3.44Å; K283-Y441 WeakPolarHBondContact CE-OH 3.46Å; K283-Y441 HydrophobicContact CG-CE1 3.87Å; K283-Y441 PolarHBondContact NZ-OH 2.78Å; K283-Y441 VanDerWaalsContact NZ-OH 3.11Å; G289-Y441 CarbonylContact O-C 3.48Å; G289-Y441 VanDerWaalsContact O-CA 3.3Å; G289-Y441 WeakPolarHBondContact O-CA 3.33Å; I290-Y441 HydrophobicContact CD1-CD1 4.17Å; I290-Y441 HydrophobicContact CD1-CE1 3.91Å; I290-Y441 HydrophobicContact CG1-CD1 3.85Å; I290-Y441 HydrophobicContact CG1-CE1 4.02Å; I290-Y441 HydrophobicContact CG2-CD1 4.49Å; I290-Y441 HydrophobicContact CG2-CE1 4.2Å; F316-Y441 CarbonylContact C-O 3.53Å; F316-Y441 WeakPolarHBondContact CA-O 3.41Å; F316-Y441 VanDerWaalsContact CB-O 3.31Å; F316-Y441 WeakPolarHBondContact CB-O 3.31Å; A317-Y441 PolarHBondContact N-O 2.83Å; A317-Y441 PolarHBondContact O-N 3.09Å; D319-Y441 HydrophobicContact CB-CE2 4.34Å; D319-Y441 VanDerWaalsContact CG-CE2 3.45Å; D319-Y441 WeakPolarHBondContact OD1-CE2 3.32Å; D319-Y441 PolarHBondContact OD1-OH 3.1Å; D319-Y441 PolarHBondContact OD2-OH 3.47Å; T439-Y441 HydrophobicContact CG2-CE2 3.85Å
442Y97.2Very high84.6Confident21 Ų2150.8 Ų50.88%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-141.4158.6-178.983.4-73.1000111.7E288 G289 I291 V301 E315 L440 V444E288-Y442 WeakPolarHBondContact O-CE1 3.29Å; E288-Y442 PolarHBondContact O-OH 2.92Å; G289-Y442 WeakPolarHBondContact CA-O 3.3Å; G289-Y442 WeakPolarHBondContact O-CD1 3.37Å; G289-Y442 PolarHBondContact O-N 2.99Å; I291-Y442 HydrophobicContact CD1-CD1 3.88Å; I291-Y442 HydrophobicContact CD1-CE1 3.23Å; I291-Y442 HydrophobicContact CG1-CD1 4.31Å; I291-Y442 HydrophobicContact CG1-CE1 3.75Å; V301-Y442 HydrophobicContact CG1-CE2 3.81Å; V301-Y442 HydrophobicContact CG2-CE2 4.11Å; E315-Y442 CarbonylContact O-C 3.52Å; E315-Y442 VanDerWaalsContact O-CA 3.25Å; E315-Y442 WeakPolarHBondContact O-CA 3.24Å; L440-Y442 HydrophobicContact CD2-CD1 4.49Å; Y442-V444 HydrophobicContact CD2-CG1 4.27Å; Y442-V444 HydrophobicContact CE2-CG1 4.46Å
443R94.1Very high85Confident89 Ų8949.8 Ų49.834%0.33623%0.23SC..EExtended strand (participates in β ladder)trans-146.4139.1172.1-175.1169.660.2-178.81.5109.2I282 W314 E315 Y445I282-R443 HydrophobicContact CD1-CB 3.88Å; W314-R443 WeakPolarHBondContact CA-O 3.42Å; E315-R443 PolarHBondContact N-O 3.2Å; E315-R443 PolarHBondContact O-N 3.36Å; E315-R443 IonicContact OE1-NH2 3.55Å; E315-R443 IonicContact OE2-CZ 3.64Å; E315-R443 IonicContact OE2-NE 3.75Å; E315-R443 IonicContact OE2-NH2 3.49Å; E315-R443 PolarHBondContact OE2-NH2 2.95Å; R443-Y445 HydrophobicContact CG-CD1 4.21Å
444V93.6Very high85.7Confident32 Ų3252.9 Ų52.919%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-125.3142.5173-65.90000109.5V303 L312 F313 W314 V339 L426 Y442V303-V444 HydrophobicContact CG1-CG2 4.45Å; V303-V444 HydrophobicContact CG2-CB 4.44Å; V303-V444 HydrophobicContact CG2-CG1 4.26Å; V303-V444 HydrophobicContact CG2-CG2 4.09Å; L312-V444 HydrophobicContact CD1-CB 4.38Å; F313-V444 VanDerWaalsContact O-CA 3.3Å; F313-V444 WeakPolarHBondContact O-CA 3.49Å; W314-V444 HydrophobicContact CB-CG1 4.16Å; V339-V444 HydrophobicContact CG2-CG2 4.36Å; L426-V444 HydrophobicContact CD2-CG1 3.67Å; Y442-V444 HydrophobicContact CD2-CG1 4.27Å; Y442-V444 HydrophobicContact CE2-CG1 4.46Å
445Y90Very high86.6Confident87 Ų8753.6 Ų53.634%0.34124%0.244SC..EExtended strand (participates in β ladder)trans-153151.917852.7-84.4000111.2F313 E315 R443F313-Y445 HydrophobicContact CB-CD1 4.15Å; F313-Y445 HydrophobicContact CB-CD2 3.6Å; F313-Y445 HydrophobicContact CB-CE1 3.86Å; F313-Y445 HydrophobicContact CB-CE2 3.25Å; F313-Y445 HydrophobicContact CB-CG 4.04Å; F313-Y445 VanDerWaalsContact CB-CZ 3.41Å; F313-Y445 HydrophobicContact CD1-CE2 4.01Å; F313-Y445 HydrophobicContact CD2-CD2 4.08Å; F313-Y445 AromaticContact CD2-CE2 3.95Å; F313-Y445 HydrophobicContact CD2-CE2 3.95Å; F313-Y445 AromaticContact CG-CD2 3.97Å; F313-Y445 HydrophobicContact CG-CD2 3.97Å; F313-Y445 AromaticContact CG-CE2 3.47Å; F313-Y445 HydrophobicContact CG-CE2 3.47Å; F313-Y445 VanDerWaalsContact CG-CE2 3.47Å; F313-Y445 AromaticContact CG-CZ 3.99Å; F313-Y445 PolarHBondContact N-O 3.36Å; F313-Y445 PolarHBondContact O-N 2.78Å; E315-Y445 HydrophobicContact CG-CE1 4.32Å; E315-Y445 PolarHBondContact OE1-OH 2.65Å; R443-Y445 HydrophobicContact CG-CD1 4.21Å
446Y86Confident87.8Confident66 Ų6654.4 Ų54.426%0.25925%0.251SS..EExtended strand (participates in β ladder)trans-94.2148178.7-48.8-68.1000110.4V303 P304 H306 C311 L312 Y418V303-Y446 HydrophobicContact CG1-CE1 3.69Å; V303-Y446 WeakPolarHBondContact CG1-OH 3.48Å; P304-Y446 VanDerWaalsContact O-CE1 3.31Å; P304-Y446 WeakPolarHBondContact O-CE1 3.5Å; P304-Y446 PolarHBondContact O-OH 2.92Å; H306-Y446 HydrophobicContact CB-CD1 4.26Å; H306-Y446 HydrophobicContact CB-CD2 3.97Å; H306-Y446 HydrophobicContact CB-CE1 4.34Å; H306-Y446 HydrophobicContact CB-CE2 4.11Å; H306-Y446 HydrophobicContact CB-CG 4.04Å; C311-Y446 WeakPolarHBondContact O-CA 3.44Å; L312-Y446 HydrophobicContact CD1-CD1 3.9Å; L312-Y446 HydrophobicContact CD1-CE1 3.87Å; Y418-Y446 WeakPolarHBondContact OH-CD1 3.35Å
447S79.4Confident89Confident26 Ų2656.6 Ų56.618%0.18226%0.263CS..  trans-62.9146.4159.571.10000109.3G309 S310 C311G309-S447 WeakPolarHBondContact CA-O 3.25Å; S310-S447 PolarHBondContact N-OG 3.47Å; S310-S447 VanDerWaalsContact N-OG 3.1Å; S310-S447 PolarHBondContact OG-OG 3.33Å; C311-S447 PolarHBondContact N-OG 3.02Å; C311-S447 VanDerWaalsContact N-OG 3.1Å; C311-S447 PolarHBondContact O-N 3.31Å
448K59Low89.1Confident251 Ų25157.2 Ų57.2100%1.09126%0.255SS*.  trans-75.90161.3-74.3-174178.4177.90111.8

Retrieved 448 of 448 residues in 137.3 ms (Link to these results)

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