A0A077S6M8_DIPOR Loading...

lysozyme

AlphaFold DB , UniProt , Accession A0A077S6M8, Species DIPOR (Dipodomys ordii, Ord's kangaroo rat), Gene LYZF1, Length 148 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M44.6Very low53.7Low237 Ų237155.9 Ų155.9100%1.16783%0.83SS**  0123.10-70.9-175.5-84.700109
2K41.6Very low53.8Low205 Ų205154.9 Ų154.989%0.89182%0.824SS**  trans162.384.2144.7-88.7165.9-178.2-171.40108.4L4K2-L4 PolarHBondContact O-N 3.46Å
3A48.3Very low53.8Low95 Ų95150.8 Ų150.879%0.78582%0.815SS**  trans-72.3116.3163.600000107.4L5A3-L5 PolarHBondContact O-N 2.82Å
4L53.5Low53.7Low163 Ų163149.9 Ų149.985%0.85381%0.81SS**  trans-81.996.6171.6-81.8158.8000107.9K2 I6K2-L4 PolarHBondContact O-N 3.46Å; L4-I6 PolarHBondContact O-N 3.37Å
5L53.1Low53.7Low154 Ų154147.1 Ų147.181%0.80680%0.799SS**  trans-74.7100168.3-77160.5000108.3A3 L7A3-L5 PolarHBondContact O-N 2.82Å; L5-L7 PolarHBondContact O-N 3.24Å
6I58.3Low54Low158 Ų158144.3 Ų144.381%0.8179%0.789SS**  trans-79.297.6166.2-60.9-162.9000107.3L4 G8L4-I6 PolarHBondContact O-N 3.37Å; I6-G8 PolarHBondContact O-N 2.92Å; I6-G8 VanDerWaalsContact O-N 3.13Å
7L56.7Low55Low159 Ų159145.1 Ų145.183%0.83279%0.786SS**  trans-72.298.7170.5-132.287.5000108L5 L9L5-L7 PolarHBondContact O-N 3.24Å; L7-L9 PolarHBondContact O-N 3.27Å; L7-L9 VanDerWaalsContact O-N 3.16Å
8G59.3Low56.3Low59 Ų59138.3 Ų138.361%0.60876%0.755SS**  trans-66.2108.6171.700000110.3I6 F10I6-G8 PolarHBondContact O-N 2.92Å; I6-G8 VanDerWaalsContact O-N 3.13Å; G8-F10 VanDerWaalsContact C-N 3.34Å; G8-F10 PolarHBondContact O-N 2.93Å
9L59.6Low58.3Low149 Ų149134.2 Ų134.278%0.7873%0.729SS**  trans-73.687.9173-165.976.8000108.9L7 L11L7-L9 PolarHBondContact O-N 3.27Å; L7-L9 VanDerWaalsContact O-N 3.16Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 HydrophobicContact CD2-CD2 4.31Å; L9-L11 HydrophobicContact CD2-CG 4.29Å; L9-L11 PolarHBondContact O-N 3.29Å
10F56.6Low60.3Low192 Ų192133.3 Ų133.384%0.84272%0.722SS**  trans-68.593.9166.3-97.4-92.5000108.6G8 L12G8-F10 VanDerWaalsContact C-N 3.34Å; G8-F10 PolarHBondContact O-N 2.93Å; F10-L12 PolarHBondContact O-N 2.68Å
11L59Low62.1Low144 Ų144128 Ų12875%0.75469%0.692SS**  trans-66.697.2164.9-75.1169.9000107.8L9 S13L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 HydrophobicContact CD2-CD2 4.31Å; L9-L11 HydrophobicContact CD2-CG 4.29Å; L9-L11 PolarHBondContact O-N 3.29Å; L11-S13 PolarHBondContact O-N 2.93Å
12L55.4Low64.7Low144 Ų144118.4 Ų118.475%0.75465%0.654SS**  trans-65.387.8166.3-70.2168.3000107.8F10 N14F10-L12 PolarHBondContact O-N 2.68Å; L12-N14 PolarHBondContact O-N 3Å; L12-N14 PolarHBondContact O-ND2 3.13Å
13S54Low67.4Low102 Ų102113 Ų11371%0.71363%0.628SS**  trans-63.793.3164.748.60000107.1L11 T15L11-S13 PolarHBondContact O-N 2.93Å; S13-T15 PolarHBondContact O-N 3.3Å
14N52.2Low69.8Low138 Ų138109.9 Ų109.974%0.73860%0.601SS**  trans-61.592.9164.6-76.6-86000105.9L12 V16L12-N14 PolarHBondContact O-N 3Å; L12-N14 PolarHBondContact O-ND2 3.13Å; N14-V16 PolarHBondContact O-N 3.07Å
15T53.2Low72Confident107 Ų107105.8 Ų105.866%0.65658%0.577SS**  trans-61.599.3165.4490000105S13 Q17S13-T15 PolarHBondContact O-N 3.3Å; T15-Q17 PolarHBondContact O-N 3.45Å
16V59.3Low74.2Confident103 Ų10398.4 Ų98.462%0.62454%0.538SS*.  trans-69.386175.6-165.40000105.4N14 G18 K59N14-V16 PolarHBondContact O-N 3.07Å; V16-G18 PolarHBondContact O-N 3.24Å; V16-K59 WeakPolarHBondContact O-CE 3.31Å; V16-K59 PolarHBondContact O-NZ 2.87Å
17Q70.8Confident76.1Confident158 Ų15890.9 Ų90.974%0.73850%0.5SS*.PPolyproline II helixtrans-71129.3-178.8-150.2140.6-1600107.2T15T15-Q17 PolarHBondContact O-N 3.45Å
18G77.3Confident78.1Confident22 Ų2290.3 Ų90.323%0.22749%0.487CS..PPolyproline II helixtrans-71.5139.5-179.600000111.3V16 I20V16-G18 PolarHBondContact O-N 3.24Å; G18-I20 PolarHBondContact O-N 2.95Å
19K95.4Very high80Confident61 Ų6188.6 Ų88.627%0.26547%0.467SS..PPolyproline II helixtrans-66.4123.6171.4-179170.2179.4173.30111Y21 E25 T58 D105K19-Y21 HydrophobicContact CD-CD2 3.89Å; K19-Y21 HydrophobicContact CD-CE1 4.41Å; K19-Y21 HydrophobicContact CD-CE2 3.52Å; K19-Y21 HydrophobicContact CD-CG 4.46Å; K19-Y21 HydrophobicContact CG-CD2 3.84Å; K19-Y21 HydrophobicContact CG-CE2 3.92Å; K19-Y21 HydrophobicContact CG-CG 4.49Å; K19-E25 WeakPolarHBondContact CE-OE1 3.34Å; K19-E25 IonicContact NZ-OE1 2.82Å; K19-E25 PolarHBondContact NZ-OE1 2.92Å; K19-T58 HydrophobicContact CB-CG2 4.31Å; K19-T58 PolarHBondContact N-OG1 3.4Å; K19-T58 PolarHBondContact O-N 3.44Å; K19-T58 PolarHBondContact O-OG1 2.97Å; K19-D105 HydrophobicContact CB-CB 3.84Å; K19-D105 VanDerWaalsContact CB-CG 3.46Å; K19-D105 VanDerWaalsContact CB-OD1 3.23Å; K19-D105 WeakPolarHBondContact CB-OD1 3.48Å; K19-D105 HydrophobicContact CD-CB 4.2Å; K19-D105 PolarHBondContact N-OD1 3.41Å
20I98.1Very high81.9Confident116 Ų11681.5 Ų81.560%0.59543%0.43SS*.BIsolated β-bridgetrans-98.1111.5162.6-56.9176.7000106.7G18 N57G18-I20 PolarHBondContact O-N 2.95Å; I20-N57 HydrophobicContact CG1-CB 4.13Å
21Y98.5Very high83.9Confident21 Ų2176.2 Ų76.28%0.08241%0.406CS..  trans-70.9142.1-179.6-85.6-103.1000111.9K19 E25 L26 A29 Y56 T58 I74 D105 I107K19-Y21 HydrophobicContact CD-CD2 3.89Å; K19-Y21 HydrophobicContact CD-CE1 4.41Å; K19-Y21 HydrophobicContact CD-CE2 3.52Å; K19-Y21 HydrophobicContact CD-CG 4.46Å; K19-Y21 HydrophobicContact CG-CD2 3.84Å; K19-Y21 HydrophobicContact CG-CE2 3.92Å; K19-Y21 HydrophobicContact CG-CG 4.49Å; Y21-E25 HydrophobicContact CD1-CB 4.33Å; Y21-E25 HydrophobicContact CD1-CG 3.86Å; Y21-E25 HydrophobicContact CE1-CG 4.29Å; Y21-L26 HydrophobicContact CD1-CB 4.06Å; Y21-L26 HydrophobicContact CD1-CD1 4.08Å; Y21-L26 HydrophobicContact CD2-CD1 4.46Å; Y21-L26 HydrophobicContact CE1-CD1 4.44Å; Y21-L26 HydrophobicContact CG-CB 4.2Å; Y21-L26 HydrophobicContact CG-CD1 4.08Å; Y21-A29 HydrophobicContact CE1-CB 4.25Å; Y21-Y56 PolarHBondContact N-O 3.05Å; Y21-T58 HydrophobicContact CD2-CG2 3.96Å; Y21-T58 HydrophobicContact CE2-CG2 3.68Å; Y21-I74 HydrophobicContact CD2-CD1 4.18Å; Y21-D105 PolarHBondContact OH-O 3.13Å; Y21-I107 HydrophobicContact CE2-CG2 3.71Å
22G98.6Very high85.8Confident37 Ų3778.4 Ų78.438%0.38141%0.409SS..  trans-66.7147.5162.600000111C24 E25 L26G22-C24 PolarHBondContact O-N 3.14Å; G22-E25 PolarHBondContact N-OE2 2.75Å; G22-E25 VanDerWaalsContact N-OE2 3.08Å; G22-E25 WeakPolarHBondContact O-CA 3.42Å; G22-E25 VanDerWaalsContact O-CB 3.32Å; G22-E25 WeakPolarHBondContact O-CB 3.3Å; G22-E25 PolarHBondContact O-N 3.19Å; G22-L26 PolarHBondContact O-N 3Å
23R98.6Very high87.8Confident90 Ų9074.2 Ų74.234%0.3439%0.387SS..Hα-helixtrans-51.7-54-177.4-176.8179.463.581.40.1113E25 L26 A27 M47 Y56 E141 Y142 R144 C146R23-E25 VanDerWaalsContact C-N 3.31Å; R23-E25 PolarHBondContact O-N 3.46Å; R23-L26 PolarHBondContact O-N 2.9Å; R23-A27 PolarHBondContact O-N 2.96Å; R23-M47 HydrophobicContact CG-CE 3.79Å; R23-M47 WeakPolarHBondContact O-CE 3.32Å; R23-Y56 HydrophobicContact CB-CE2 4.19Å; R23-Y56 HydrophobicContact CG-CE2 4.48Å; R23-E141 PolarHBondContact NH1-O 2.83Å; R23-Y142 WeakPolarHBondContact CD-O 3.23Å; R23-Y142 WeakPolarHBondContact CG-O 3.45Å; R23-Y142 PolarHBondContact NH1-O 2.96Å; R23-R144 VanDerWaalsContact CZ-O 3.31Å; R23-R144 PolarHBondContact NH1-O 3.04Å; R23-R144 PolarHBondContact NH2-O 2.59Å; R23-C146 PolarHBondContact NH1-SG 3.17Å
24C98.8Very high90Very high31 Ų3171 Ų7121%0.20937%0.371CS..Hα-helixtrans-77-18.1179.7-64.90000113.9G22 R28 C146G22-C24 PolarHBondContact O-N 3.14Å; C24-R28 WeakPolarHBondContact O-CG 3.34Å; C24-R28 PolarHBondContact O-N 3.01Å; C24-R28 PolarHBondContact O-NE 2.97Å; C24-C146 WeakPolarHBondContact CA-SG 3.31Å; C24-C146 HydrophobicContact CB-CB 3.57Å; C24-C146 WeakPolarHBondContact CB-SG 3.32Å; C24-C146 WeakPolarHBondContact SG-CA 3.37Å; C24-C146 WeakPolarHBondContact SG-CB 3.18Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.29Å
25E98.8Very high92.2Very high76 Ų7664.5 Ų64.536%0.35534%0.336SS..Hα-helixtrans-68.9-48.9170-172.9-164.5-18000110K19 Y21 G22 R23 R28 A29K19-E25 WeakPolarHBondContact CE-OE1 3.34Å; K19-E25 IonicContact NZ-OE1 2.82Å; K19-E25 PolarHBondContact NZ-OE1 2.92Å; Y21-E25 HydrophobicContact CD1-CB 4.33Å; Y21-E25 HydrophobicContact CD1-CG 3.86Å; Y21-E25 HydrophobicContact CE1-CG 4.29Å; G22-E25 PolarHBondContact N-OE2 2.75Å; G22-E25 VanDerWaalsContact N-OE2 3.08Å; G22-E25 WeakPolarHBondContact O-CA 3.42Å; G22-E25 VanDerWaalsContact O-CB 3.32Å; G22-E25 WeakPolarHBondContact O-CB 3.3Å; G22-E25 PolarHBondContact O-N 3.19Å; R23-E25 VanDerWaalsContact C-N 3.31Å; R23-E25 PolarHBondContact O-N 3.46Å; E25-R28 PolarHBondContact O-N 3.48Å; E25-A29 PolarHBondContact O-N 2.66Å
26L98.9Very high94.4Very high0 Ų062.6 Ų62.60%032%0.322CS..Hα-helixtrans-63.4-44.8177.6-174.859.3000111.6Y21 G22 R23 R28 A29 L30 M47 A50 Y56 I74 I107Y21-L26 HydrophobicContact CD1-CB 4.06Å; Y21-L26 HydrophobicContact CD1-CD1 4.08Å; Y21-L26 HydrophobicContact CD2-CD1 4.46Å; Y21-L26 HydrophobicContact CE1-CD1 4.44Å; Y21-L26 HydrophobicContact CG-CB 4.2Å; Y21-L26 HydrophobicContact CG-CD1 4.08Å; G22-L26 PolarHBondContact O-N 3Å; R23-L26 PolarHBondContact O-N 2.9Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.99Å; L26-A29 WeakPolarHBondContact O-CB 3.27Å; L26-A29 PolarHBondContact O-N 3.13Å; L26-A29 VanDerWaalsContact O-N 3.09Å; L26-L30 HydrophobicContact CD1-CD1 4.2Å; L26-L30 HydrophobicContact CD1-CD2 4.24Å; L26-L30 HydrophobicContact CD1-CG 3.92Å; L26-L30 HydrophobicContact CD2-CD1 4.43Å; L26-L30 HydrophobicContact CG-CD1 3.92Å; L26-L30 HydrophobicContact CG-CG 4.06Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 3.02Å; L26-M47 HydrophobicContact CB-CE 4.04Å; L26-M47 HydrophobicContact CB-SD 3.94Å; L26-M47 HydrophobicContact CD2-CE 4.12Å; L26-M47 HydrophobicContact CD2-SD 3.87Å; L26-M47 HydrophobicContact CG-CE 4.28Å; L26-M47 HydrophobicContact CG-SD 3.7Å; L26-A50 HydrophobicContact CD2-CB 3.9Å; L26-Y56 HydrophobicContact CD2-CD1 3.39Å; L26-Y56 HydrophobicContact CD2-CE1 3.93Å; L26-Y56 HydrophobicContact CD2-CG 4.02Å; L26-I74 HydrophobicContact CD1-CD1 3.57Å; L26-I74 HydrophobicContact CD2-CD1 3.78Å; L26-I74 HydrophobicContact CG-CD1 4.35Å; L26-I107 HydrophobicContact CD1-CD1 3.54Å
27A98.9Very high96.2Very high0 Ų059.7 Ų59.70%031%0.313CS..Hα-helixtrans-57.1-45-179.900000111.6R23 L30 K31 L43 M47 C146 V148R23-A27 PolarHBondContact O-N 2.96Å; A27-L30 PolarHBondContact O-N 2.82Å; A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 PolarHBondContact O-N 3.5Å; A27-L43 HydrophobicContact CB-CD2 4.42Å; A27-M47 VanDerWaalsContact CA-SD 3.53Å; A27-M47 HydrophobicContact CB-CE 4.2Å; A27-M47 HydrophobicContact CB-CG 4.14Å; A27-M47 HydrophobicContact CB-SD 3.81Å; A27-M47 PolarHBondContact N-SD 3.46Å; A27-M47 VanDerWaalsContact N-SD 3.43Å; A27-C146 HydrophobicContact CB-CB 4.34Å; A27-V148 HydrophobicContact CB-CG2 4.14Å
28R98.9Very high97.6Very high147 Ų14755.1 Ų55.156%0.55529%0.289SS*.Hα-helixtrans-64.1-42.3174.9-74.5-178.2-71.9166.7-5112.2C24 E25 L26 K31 K32 V148C24-R28 WeakPolarHBondContact O-CG 3.34Å; C24-R28 PolarHBondContact O-N 3.01Å; C24-R28 PolarHBondContact O-NE 2.97Å; E25-R28 PolarHBondContact O-N 3.48Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.99Å; R28-K31 PolarHBondContact O-N 3.09Å; R28-K32 WeakPolarHBondContact O-CB 3.47Å; R28-K32 PolarHBondContact O-N 3.01Å; R28-V148 HydrophobicContact CB-CG1 4.37Å; R28-V148 HydrophobicContact CG-CG1 3.5Å
29A98.8Very high98.6Very high23 Ų2360.7 Ų60.719%0.1931%0.307CS..Hα-helixtrans-62.3-47.2177.200000112.1Y21 E25 L26 K32 L33 I107Y21-A29 HydrophobicContact CE1-CB 4.25Å; E25-A29 PolarHBondContact O-N 2.66Å; L26-A29 WeakPolarHBondContact O-CB 3.27Å; L26-A29 PolarHBondContact O-N 3.13Å; L26-A29 VanDerWaalsContact O-N 3.09Å; A29-K32 PolarHBondContact O-N 3.33Å; A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 VanDerWaalsContact O-CG 3.28Å; A29-L33 WeakPolarHBondContact O-CG 3.37Å; A29-L33 PolarHBondContact O-N 3.33Å; A29-I107 HydrophobicContact CB-CD1 4.31Å
30L98.9Very high98.7Very high0 Ų061.4 Ų61.40%033%0.332CS..Hα-helixtrans-64.7-40.9178.4-67.2-178000112L26 A27 L33 G34 M35 L43 W46 M47 F75 I107 V111L26-L30 HydrophobicContact CD1-CD1 4.2Å; L26-L30 HydrophobicContact CD1-CD2 4.24Å; L26-L30 HydrophobicContact CD1-CG 3.92Å; L26-L30 HydrophobicContact CD2-CD1 4.43Å; L26-L30 HydrophobicContact CG-CD1 3.92Å; L26-L30 HydrophobicContact CG-CG 4.06Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 3.02Å; A27-L30 PolarHBondContact O-N 2.82Å; L30-L33 CarbonylContact O-C 3.53Å; L30-L33 PolarHBondContact O-N 3.43Å; L30-G34 PolarHBondContact O-N 3.03Å; L30-M35 HydrophobicContact CB-CB 4.14Å; L30-M35 HydrophobicContact CB-CG 4.34Å; L30-M35 HydrophobicContact CD2-CG 4.22Å; L30-M35 WeakPolarHBondContact O-CB 3.36Å; L30-M35 PolarHBondContact O-N 2.05Å; L30-L43 HydrophobicContact CB-CD1 3.63Å; L30-W46 HydrophobicContact CD1-CB 4.03Å; L30-M47 HydrophobicContact CD1-SD 3.87Å; L30-F75 HydrophobicContact CD2-CZ 3.79Å; L30-I107 HydrophobicContact CD2-CD1 3.78Å; L30-V111 HydrophobicContact CD2-CG2 3.68Å
31K98.8Very high98.7Very high81 Ų8156.6 Ų56.635%0.35231%0.307SS..Hα-helixtrans-61.1-47.5173.5-170.5171.9-174.3100.80111.2A27 R28 L33 G34 D36 L43 V148A27-K31 WeakPolarHBondContact O-CB 3.47Å; A27-K31 PolarHBondContact O-N 3.5Å; R28-K31 PolarHBondContact O-N 3.09Å; K31-L33 PolarHBondContact O-N 3.43Å; K31-G34 WeakPolarHBondContact O-CA 3.48Å; K31-G34 PolarHBondContact O-N 3.49Å; K31-D36 HydrophobicContact CG-CB 4.33Å; K31-D36 IonicContact NZ-OD2 3.98Å; K31-D36 PolarHBondContact NZ-OD2 3.38Å; K31-L43 HydrophobicContact CB-CD1 4.44Å; K31-L43 HydrophobicContact CB-CD2 4.04Å; K31-L43 HydrophobicContact CD-CD2 4.47Å; K31-V148 HydrophobicContact CD-CB 3.74Å; K31-V148 HydrophobicContact CD-CG1 3.98Å; K31-V148 VanDerWaalsContact CE-OXT 3.3Å; K31-V148 WeakPolarHBondContact CE-OXT 3.36Å; K31-V148 PolarHBondContact NZ-OXT 3.46Å
32K98.8Very high98.8Very high189 Ų18957.8 Ų57.882%0.82232%0.319SS*.Hα-helixtrans-59.1-34.7176.3-176.1176.8178.7178.80112.4R28 A29 G34R28-K32 WeakPolarHBondContact O-CB 3.47Å; R28-K32 PolarHBondContact O-N 3.01Å; A29-K32 PolarHBondContact O-N 3.33Å; K32-G34 PolarHBondContact O-N 3.12Å
33L98.8Very high98.8Very high56 Ų5656.3 Ų56.329%0.29330%0.302SS..THydrogen-bonded Turntrans-82.47.8176.1-65.9168.1000113.4A29 L30 K31 I107 V111 K115A29-L33 WeakPolarHBondContact O-CB 3.23Å; A29-L33 VanDerWaalsContact O-CG 3.28Å; A29-L33 WeakPolarHBondContact O-CG 3.37Å; A29-L33 PolarHBondContact O-N 3.33Å; L30-L33 CarbonylContact O-C 3.53Å; L30-L33 PolarHBondContact O-N 3.43Å; K31-L33 PolarHBondContact O-N 3.43Å; L33-I107 HydrophobicContact CD1-CD1 4.23Å; L33-I107 HydrophobicContact CD1-CG1 3.87Å; L33-V111 HydrophobicContact CB-CG1 3.97Å; L33-V111 HydrophobicContact CD1-CB 4.23Å; L33-V111 HydrophobicContact CD1-CG1 4.49Å; L33-V111 HydrophobicContact CD1-CG2 3.77Å; L33-K115 PolarHBondContact O-NZ 2.99Å
34G98.8Very high98.8Very high36 Ų3652.6 Ų52.637%0.37129%0.29SS..THydrogen-bonded Turntrans6840.4174.200000113.3L30 K31 K32 K115L30-G34 PolarHBondContact O-N 3.03Å; K31-G34 WeakPolarHBondContact O-CA 3.48Å; K31-G34 PolarHBondContact O-N 3.49Å; K32-G34 PolarHBondContact O-N 3.12Å; G34-K115 VanDerWaalsContact O-CE 3.23Å; G34-K115 WeakPolarHBondContact O-CE 3.19Å; G34-K115 PolarHBondContact O-NZ 3.24Å
35M98.8Very high98.8Very high0 Ų052.5 Ų52.50%029%0.288CS..  trans-88.3-25.3174.9-69.8-72.2-87.600112.7L30 G37 Y38 W46 F75 V111 A114 K115L30-M35 HydrophobicContact CB-CB 4.14Å; L30-M35 HydrophobicContact CB-CG 4.34Å; L30-M35 HydrophobicContact CD2-CG 4.22Å; L30-M35 WeakPolarHBondContact O-CB 3.36Å; L30-M35 PolarHBondContact O-N 2.05Å; M35-G37 PolarHBondContact O-N 2.89Å; M35-Y38 WeakPolarHBondContact O-CB 3.32Å; M35-Y38 PolarHBondContact O-N 2.82Å; M35-Y38 VanDerWaalsContact O-N 3.14Å; M35-W46 HydrophobicContact CB-CG 4.34Å; M35-W46 HydrophobicContact CE-CD2 3.3Å; M35-W46 VanDerWaalsContact CE-CE2 3.42Å; M35-W46 HydrophobicContact CE-CE3 3.41Å; M35-W46 VanDerWaalsContact CE-CE3 3.41Å; M35-W46 HydrophobicContact CE-CG 3.87Å; M35-W46 HydrophobicContact CE-CH2 3.69Å; M35-W46 HydrophobicContact CE-CZ2 3.63Å; M35-W46 HydrophobicContact CE-CZ3 3.62Å; M35-W46 VanDerWaalsContact O-CD1 3.29Å; M35-W46 PolarHBondContact O-NE1 3.15Å; M35-W46 HydrophobicContact SD-CZ2 4.24Å; M35-F75 HydrophobicContact CE-CZ 4.14Å; M35-V111 HydrophobicContact CE-CG1 4.47Å; M35-V111 HydrophobicContact CG-CG1 3.77Å; M35-V111 HydrophobicContact CG-CG2 4.35Å; M35-V111 HydrophobicContact SD-CG1 3.61Å; M35-A114 HydrophobicContact CE-CB 4.34Å; M35-K115 HydrophobicContact SD-CD 4.27Å; M35-K115 HydrophobicContact SD-CG 3.77Å
36D98.8Very high98.8Very high67 Ų6748.9 Ų48.936%0.35827%0.271SS..THydrogen-bonded Turntrans-66.5113.6179.7-166.716.8000111.1K31 Y38 L43K31-D36 HydrophobicContact CG-CB 4.33Å; K31-D36 IonicContact NZ-OD2 3.98Å; K31-D36 PolarHBondContact NZ-OD2 3.38Å; D36-Y38 VanDerWaalsContact C-N 3.3Å; D36-Y38 PolarHBondContact O-N 3.27Å; D36-L43 HydrophobicContact CB-CB 3.92Å; D36-L43 WeakPolarHBondContact OD1-CB 3.46Å; D36-L43 PolarHBondContact OD1-N 2.99Å
37G98.7Very high98.8Very high42 Ų4248.9 Ų48.943%0.43327%0.271SS..THydrogen-bonded Turntrans80.91.2-176.600000114.7M35 K39 G40 I41M35-G37 PolarHBondContact O-N 2.89Å; G37-K39 PolarHBondContact O-N 3.05Å; G37-K39 VanDerWaalsContact O-N 3.13Å; G37-G40 PolarHBondContact O-N 2.65Å; G37-I41 CarbonylContact C-O 3.54Å; G37-I41 VanDerWaalsContact CA-O 3.27Å; G37-I41 WeakPolarHBondContact CA-O 3.46Å; G37-I41 PolarHBondContact N-O 2.91Å
38Y98.8Very high98.8Very high62 Ų6248.9 Ų48.924%0.24327%0.271CS..BIsolated β-bridgetrans-61.1119.7-179.5-173.8-95.9000110.5M35 D36 G40 I41 K115 V118M35-Y38 WeakPolarHBondContact O-CB 3.32Å; M35-Y38 PolarHBondContact O-N 2.82Å; M35-Y38 VanDerWaalsContact O-N 3.14Å; D36-Y38 VanDerWaalsContact C-N 3.3Å; D36-Y38 PolarHBondContact O-N 3.27Å; Y38-G40 PolarHBondContact O-N 3.24Å; Y38-I41 PolarHBondContact N-O 3.22Å; Y38-I41 WeakPolarHBondContact O-CB 3.3Å; Y38-I41 PolarHBondContact O-N 3.05Å; Y38-I41 VanDerWaalsContact O-N 3.07Å; Y38-K115 HydrophobicContact CD1-CB 4.31Å; Y38-K115 HydrophobicContact CD1-CG 3.8Å; Y38-K115 HydrophobicContact CD2-CD 4.08Å; Y38-K115 HydrophobicContact CD2-CG 4.26Å; Y38-K115 HydrophobicContact CE1-CB 3.62Å; Y38-K115 HydrophobicContact CE1-CD 4.32Å; Y38-K115 HydrophobicContact CE1-CG 3.59Å; Y38-K115 HydrophobicContact CE2-CB 4.44Å; Y38-K115 HydrophobicContact CE2-CD 3.87Å; Y38-K115 HydrophobicContact CE2-CG 4.07Å; Y38-K115 HydrophobicContact CG-CD 4.4Å; Y38-K115 HydrophobicContact CG-CG 4.13Å; Y38-V118 HydrophobicContact CD1-CG2 3.74Å; Y38-V118 HydrophobicContact CE1-CG2 3.6Å
39K98.4Very high98.8Very high140 Ų14041.9 Ų41.961%0.60925%0.245SC*.THydrogen-bonded Turntrans53.833.7-173.4-64.6-66.6-172.1178.80113.5G37 I41 V118G37-K39 PolarHBondContact O-N 3.05Å; G37-K39 VanDerWaalsContact O-N 3.13Å; K39-I41 VanDerWaalsContact C-N 3.27Å; K39-I41 HydrophobicContact CB-CD1 4.47Å; K39-I41 PolarHBondContact O-N 3.12Å; K39-V118 HydrophobicContact CG-CG2 4.38Å
40G98.4Very high98.8Very high76 Ų7640.8 Ų40.878%0.78424%0.236SC*.THydrogen-bonded Turntrans77.59.3-179.900000114.3G37 Y38G37-G40 PolarHBondContact O-N 2.65Å; Y38-G40 PolarHBondContact O-N 3.24Å
41I98.8Very high98.8Very high14 Ų1444 Ų447%0.07225%0.25CC..BIsolated β-bridgetrans-96.8115.1-179.3-57.7158.2000108.8G37 Y38 K39 N45 W46 V118 I124G37-I41 CarbonylContact C-O 3.54Å; G37-I41 VanDerWaalsContact CA-O 3.27Å; G37-I41 WeakPolarHBondContact CA-O 3.46Å; G37-I41 PolarHBondContact N-O 2.91Å; Y38-I41 PolarHBondContact N-O 3.22Å; Y38-I41 WeakPolarHBondContact O-CB 3.3Å; Y38-I41 PolarHBondContact O-N 3.05Å; Y38-I41 VanDerWaalsContact O-N 3.07Å; K39-I41 VanDerWaalsContact C-N 3.27Å; K39-I41 HydrophobicContact CB-CD1 4.47Å; K39-I41 PolarHBondContact O-N 3.12Å; I41-N45 HydrophobicContact CG2-CB 3.57Å; I41-W46 HydrophobicContact CB-CZ2 4.28Å; I41-W46 HydrophobicContact CD1-CH2 4.34Å; I41-W46 HydrophobicContact CD1-CZ2 3.78Å; I41-W46 HydrophobicContact CG2-CD2 4.12Å; I41-W46 HydrophobicContact CG2-CG 4.29Å; I41-W46 HydrophobicContact CG2-CZ2 4.11Å; I41-V118 HydrophobicContact CD1-CB 3.83Å; I41-V118 HydrophobicContact CD1-CG1 3.69Å; I41-V118 HydrophobicContact CD1-CG2 4.09Å; I41-I124 HydrophobicContact CD1-CB 3.85Å; I41-I124 HydrophobicContact CD1-CG2 4.41Å; I41-I124 HydrophobicContact CG1-CB 4.27Å; I41-I124 HydrophobicContact CG1-CG2 4.35Å; I41-I124 HydrophobicContact CG2-CD1 3.54Å
42S98.9Very high98.8Very high47 Ų4745.4 Ų45.433%0.32925%0.253SS..  trans-68.3157.7-179.767.20000113A44 N45 W46S42-A44 PolarHBondContact O-N 3.09Å; S42-N45 WeakPolarHBondContact O-CB 3.37Å; S42-N45 PolarHBondContact O-N 3.35Å; S42-N45 PolarHBondContact OG-ND2 3.2Å; S42-W46 PolarHBondContact O-N 2.88Å
43L98.9Very high98.8Very high5 Ų538.6 Ų38.63%0.02622%0.224CC..Hα-helixtrans-53-38.7175.6-174.861.3000113.4A27 L30 K31 D36 N45 W46 M47 V143 V148A27-L43 HydrophobicContact CB-CD2 4.42Å; L30-L43 HydrophobicContact CB-CD1 3.63Å; K31-L43 HydrophobicContact CB-CD1 4.44Å; K31-L43 HydrophobicContact CB-CD2 4.04Å; K31-L43 HydrophobicContact CD-CD2 4.47Å; D36-L43 HydrophobicContact CB-CB 3.92Å; D36-L43 WeakPolarHBondContact OD1-CB 3.46Å; D36-L43 PolarHBondContact OD1-N 2.99Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 3.45Å; L43-W46 PolarHBondContact O-N 3.02Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 WeakPolarHBondContact O-CG 3.33Å; L43-M47 PolarHBondContact O-N 3.19Å; L43-V143 HydrophobicContact CB-CG1 4.42Å; L43-V143 HydrophobicContact CD2-CG1 4.09Å; L43-V143 HydrophobicContact CG-CG1 3.98Å; L43-V148 HydrophobicContact CD2-CB 3.94Å; L43-V148 HydrophobicContact CD2-CG2 3.64Å
44A98.9Very high98.8Very high12 Ų1236.6 Ų36.610%0.09921%0.214CC..Hα-helixtrans-62.4-33.3178.800000113.1S42 C48 L139 V143S42-A44 PolarHBondContact O-N 3.09Å; A44-C48 WeakPolarHBondContact O-CB 3.49Å; A44-C48 PolarHBondContact O-N 3.47Å; A44-L139 HydrophobicContact CB-CB 3.77Å; A44-L139 WeakPolarHBondContact CB-O 3.28Å; A44-V143 HydrophobicContact CB-CG1 4.22Å; A44-V143 HydrophobicContact CB-CG2 4.25Å
45N98.9Very high98.8Very high30 Ų3038 Ų3816%0.1622%0.218CC..Hα-helixtrans-66.2-43.9174.6-82.8-79.1000111.7I41 S42 L43 C48 L49 I124 W130 L139I41-N45 HydrophobicContact CG2-CB 3.57Å; S42-N45 WeakPolarHBondContact O-CB 3.37Å; S42-N45 PolarHBondContact O-N 3.35Å; S42-N45 PolarHBondContact OG-ND2 3.2Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 3.45Å; N45-C48 PolarHBondContact O-N 2.91Å; N45-L49 WeakPolarHBondContact O-CB 3.04Å; N45-L49 PolarHBondContact O-N 3.44Å; N45-I124 HydrophobicContact CB-CD1 4.03Å; N45-W130 WeakPolarHBondContact OD1-CZ2 3.31Å; N45-W130 PolarHBondContact OD1-NE1 2.94Å; N45-L139 HydrophobicContact CB-CD1 4.32Å; N45-L139 VanDerWaalsContact OD1-CD1 3.31Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.29Å
46W98.9Very high98.8Very high0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-65.2-39.4176.7-66.8115.6000112.6L30 M35 I41 S42 L43 L49 A50 A114 V118 I124 W127L30-W46 HydrophobicContact CD1-CB 4.03Å; M35-W46 HydrophobicContact CB-CG 4.34Å; M35-W46 HydrophobicContact CE-CD2 3.3Å; M35-W46 VanDerWaalsContact CE-CE2 3.42Å; M35-W46 HydrophobicContact CE-CE3 3.41Å; M35-W46 VanDerWaalsContact CE-CE3 3.41Å; M35-W46 HydrophobicContact CE-CG 3.87Å; M35-W46 HydrophobicContact CE-CH2 3.69Å; M35-W46 HydrophobicContact CE-CZ2 3.63Å; M35-W46 HydrophobicContact CE-CZ3 3.62Å; M35-W46 VanDerWaalsContact O-CD1 3.29Å; M35-W46 PolarHBondContact O-NE1 3.15Å; M35-W46 HydrophobicContact SD-CZ2 4.24Å; I41-W46 HydrophobicContact CB-CZ2 4.28Å; I41-W46 HydrophobicContact CD1-CH2 4.34Å; I41-W46 HydrophobicContact CD1-CZ2 3.78Å; I41-W46 HydrophobicContact CG2-CD2 4.12Å; I41-W46 HydrophobicContact CG2-CG 4.29Å; I41-W46 HydrophobicContact CG2-CZ2 4.11Å; S42-W46 PolarHBondContact O-N 2.88Å; L43-W46 PolarHBondContact O-N 3.02Å; W46-L49 HydrophobicContact CE3-CD2 3.86Å; W46-L49 HydrophobicContact CZ3-CD2 3.94Å; W46-L49 PolarHBondContact O-N 3.35Å; W46-A50 WeakPolarHBondContact O-CB 3.3Å; W46-A50 PolarHBondContact O-N 3.4Å; W46-A114 HydrophobicContact CH2-CB 4.38Å; W46-A114 HydrophobicContact CZ3-CB 4.15Å; W46-V118 HydrophobicContact CH2-CB 4.37Å; W46-V118 HydrophobicContact CH2-CG1 3.43Å; W46-V118 VanDerWaalsContact CH2-CG1 3.43Å; W46-V118 HydrophobicContact CH2-CG2 4.05Å; W46-V118 HydrophobicContact CZ2-CG1 4.08Å; W46-V118 HydrophobicContact CZ2-CG2 4.16Å; W46-V118 HydrophobicContact CZ3-CG1 4.3Å; W46-I124 HydrophobicContact CE3-CD1 4.36Å; W46-W127 HydrophobicContact CZ3-CH2 4.28Å
47M98.9Very high98.8Very high0 Ų037.9 Ų37.90%022%0.217CC..Hα-helixtrans-65.1-43.8174.6-73.4-60.8-59.300111.9R23 L26 A27 L30 L43 A50 K51 Y56 Y142 V143R23-M47 HydrophobicContact CG-CE 3.79Å; R23-M47 WeakPolarHBondContact O-CE 3.32Å; L26-M47 HydrophobicContact CB-CE 4.04Å; L26-M47 HydrophobicContact CB-SD 3.94Å; L26-M47 HydrophobicContact CD2-CE 4.12Å; L26-M47 HydrophobicContact CD2-SD 3.87Å; L26-M47 HydrophobicContact CG-CE 4.28Å; L26-M47 HydrophobicContact CG-SD 3.7Å; A27-M47 VanDerWaalsContact CA-SD 3.53Å; A27-M47 HydrophobicContact CB-CE 4.2Å; A27-M47 HydrophobicContact CB-CG 4.14Å; A27-M47 HydrophobicContact CB-SD 3.81Å; A27-M47 PolarHBondContact N-SD 3.46Å; A27-M47 VanDerWaalsContact N-SD 3.43Å; L30-M47 HydrophobicContact CD1-SD 3.87Å; L43-M47 HydrophobicContact CG-CG 4.49Å; L43-M47 WeakPolarHBondContact O-CG 3.33Å; L43-M47 PolarHBondContact O-N 3.19Å; M47-A50 PolarHBondContact O-N 3.46Å; M47-K51 PolarHBondContact O-N 3.01Å; M47-Y56 HydrophobicContact CE-CE1 3.93Å; M47-Y56 WeakPolarHBondContact O-CE1 3.08Å; M47-Y142 HydrophobicContact CB-CD1 4.49Å; M47-Y142 HydrophobicContact CB-CG 4.42Å; M47-V143 HydrophobicContact CG-CG1 4.12Å
48C98.9Very high98.8Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-61.2-47175.1-177.40000111.5A44 N45 A50 K51 W52 C134 L139 Y142A44-C48 WeakPolarHBondContact O-CB 3.49Å; A44-C48 PolarHBondContact O-N 3.47Å; N45-C48 PolarHBondContact O-N 2.91Å; C48-A50 PolarHBondContact O-N 2.99Å; C48-K51 WeakPolarHBondContact O-CB 3.5Å; C48-K51 PolarHBondContact O-N 2.68Å; C48-K51 VanDerWaalsContact O-N 3.17Å; C48-W52 PolarHBondContact O-N 3.43Å; C48-C134 HydrophobicContact CB-CB 3.86Å; C48-C134 WeakPolarHBondContact CB-SG 3.48Å; C48-C134 WeakPolarHBondContact SG-CA 3.05Å; C48-C134 WeakPolarHBondContact SG-CB 3.44Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 2.72Å; C48-L139 HydrophobicContact CB-CD1 4.08Å; C48-L139 HydrophobicContact CB-CD2 4.07Å; C48-Y142 HydrophobicContact CB-CD1 4.1Å; C48-Y142 HydrophobicContact CB-CD2 3.89Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.75Å; C48-Y142 HydrophobicContact CB-CG 4.09Å; C48-Y142 VanDerWaalsContact SG-CZ 3.55Å
49L98.9Very high98.7Very high0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-53.2-55.3175.6173.367.4000111.4N45 W46 K51 W52 E53 F75 W127 W130N45-L49 WeakPolarHBondContact O-CB 3.04Å; N45-L49 PolarHBondContact O-N 3.44Å; W46-L49 HydrophobicContact CE3-CD2 3.86Å; W46-L49 HydrophobicContact CZ3-CD2 3.94Å; W46-L49 PolarHBondContact O-N 3.35Å; L49-K51 PolarHBondContact O-N 3.32Å; L49-W52 PolarHBondContact O-N 2.88Å; L49-E53 HydrophobicContact CD1-CG 3.5Å; L49-E53 HydrophobicContact CG-CG 4.14Å; L49-E53 WeakPolarHBondContact O-CB 3.35Å; L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 3.35Å; L49-F75 HydrophobicContact CD2-CD1 4.13Å; L49-W127 HydrophobicContact CD1-CB 3.39Å; L49-W127 HydrophobicContact CD1-CD2 4.07Å; L49-W127 HydrophobicContact CD1-CG 3.38Å; L49-W127 HydrophobicContact CD2-CD2 3.9Å; L49-W127 HydrophobicContact CD2-CE3 4.35Å; L49-W127 HydrophobicContact CD2-CG 4.11Å; L49-W127 HydrophobicContact CD2-CZ2 4.33Å; L49-W127 HydrophobicContact CG-CG 4.37Å; L49-W130 HydrophobicContact CD1-CB 3.89Å
50A98.9Very high98.7Very high0 Ų030.4 Ų30.40%018%0.177CC..Hα-helixtrans-61.7-30.8-178.300000113L26 W46 M47 C48 S54 S55 Y56 I74 F75L26-A50 HydrophobicContact CD2-CB 3.9Å; W46-A50 WeakPolarHBondContact O-CB 3.3Å; W46-A50 PolarHBondContact O-N 3.4Å; M47-A50 PolarHBondContact O-N 3.46Å; C48-A50 PolarHBondContact O-N 2.99Å; A50-S54 PolarHBondContact O-N 3.35Å; A50-S54 PolarHBondContact O-OG 3.48Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; A50-S55 PolarHBondContact O-N 2.85Å; A50-Y56 HydrophobicContact CB-CD1 3.86Å; A50-Y56 HydrophobicContact CB-CE1 4.12Å; A50-Y56 PolarHBondContact O-N 2.96Å; A50-I74 HydrophobicContact CB-CG1 4.22Å; A50-F75 HydrophobicContact CB-CD1 4.3Å; A50-F75 HydrophobicContact CB-CE1 4.14Å
51K98.8Very high98.7Very high67 Ų6730.8 Ų30.829%0.29116%0.164SC..Hα-helixtrans-65.3-44.5176.4177.161.6-163.779.30112M47 C48 L49 S55 Y56 Y142M47-K51 PolarHBondContact O-N 3.01Å; C48-K51 WeakPolarHBondContact O-CB 3.5Å; C48-K51 PolarHBondContact O-N 2.68Å; C48-K51 VanDerWaalsContact O-N 3.17Å; L49-K51 PolarHBondContact O-N 3.32Å; K51-S55 PolarHBondContact NZ-OG 3.26Å; K51-S55 VanDerWaalsContact NZ-OG 3.09Å; K51-S55 VanDerWaalsContact O-CA 3.31Å; K51-S55 WeakPolarHBondContact O-CA 3.1Å; K51-S55 PolarHBondContact O-N 3.15Å; K51-S55 VanDerWaalsContact O-N 3.12Å; K51-S55 PolarHBondContact O-OG 2.91Å; K51-Y56 VanDerWaalsContact CA-CE1 3.48Å; K51-Y56 HydrophobicContact CB-CD1 4.49Å; K51-Y56 HydrophobicContact CB-CE1 3.62Å; K51-Y56 HydrophobicContact CD-CE1 4.38Å; K51-Y56 HydrophobicContact CD-CE2 3.89Å; K51-Y142 HydrophobicContact CB-CD1 4.39Å; K51-Y142 HydrophobicContact CB-CE1 3.87Å; K51-Y142 HydrophobicContact CG-CE1 4.04Å
52W98.8Very high98.7Very high111 Ų11133.9 Ų33.942%0.4218%0.181SC..Hα-helixtrans-86.9-26.6-172.9-71.2104.6000113.1C48 L49 A129 H133 Y142C48-W52 PolarHBondContact O-N 3.43Å; L49-W52 PolarHBondContact O-N 2.88Å; W52-A129 HydrophobicContact CB-CB 4.03Å; W52-H133 HydrophobicContact CB-CB 4.23Å; W52-H133 VanDerWaalsContact CD1-CB 3.41Å; W52-H133 HydrophobicContact CD2-CB 3.55Å; W52-H133 AromaticContact CD2-CD2 3.81Å; W52-H133 AromaticContact CD2-CG 3.41Å; W52-H133 VanDerWaalsContact CD2-CG 3.41Å; W52-H133 AromaticContact CD2-ND1 3.76Å; W52-H133 AromaticContact CE2-CG 3.78Å; W52-H133 AromaticContact CE2-ND1 3.94Å; W52-H133 HydrophobicContact CE3-CB 4.29Å; W52-H133 AromaticContact CE3-CD2 3.77Å; W52-H133 AromaticContact CE3-CE1 3.75Å; W52-H133 AromaticContact CE3-CG 3.64Å; W52-H133 AromaticContact CE3-ND1 3.6Å; W52-H133 AromaticContact CE3-NE2 3.89Å; W52-H133 HydrophobicContact CG-CB 3.47Å; W52-H133 VanDerWaalsContact CG-CB 3.47Å; W52-H133 AromaticContact CG-CD2 3.91Å; W52-H133 AromaticContact CG-CG 3.7Å; W52-H133 AromaticContact CH2-ND1 3.85Å; W52-H133 HydrophobicContact CZ2-CB 4.31Å; W52-H133 AromaticContact CZ2-ND1 4Å; W52-H133 AromaticContact CZ3-CE1 3.76Å; W52-H133 AromaticContact CZ3-ND1 3.65Å; W52-Y142 PolarHBondContact NE1-OH 3.16Å
53E98.7Very high98.7Very high45 Ų4537.4 Ų37.421%0.2119%0.188CC..Hα-helixtrans-77.7-44175.8-71.2-64.6175.700112.6L49 Q76 A129L49-E53 HydrophobicContact CD1-CG 3.5Å; L49-E53 HydrophobicContact CG-CG 4.14Å; L49-E53 WeakPolarHBondContact O-CB 3.35Å; L49-E53 WeakPolarHBondContact O-CG 3.41Å; L49-E53 PolarHBondContact O-N 3.35Å; E53-Q76 HydrophobicContact CB-CB 3.97Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.3Å; E53-Q76 WeakPolarHBondContact O-CG 3.36Å; E53-Q76 VanDerWaalsContact OE2-CB 3.32Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.42Å; E53-A129 VanDerWaalsContact CD-CB 3.47Å; E53-A129 HydrophobicContact CG-CB 4Å; E53-A129 WeakPolarHBondContact OE1-CB 3.27Å
54S98.8Very high98.7Very high14 Ų1439.1 Ų39.110%0.09820%0.197CC..Hα-helixtrans-136.6-2.2-168.366.20000115.1A50 Y56 N57 I74A50-S54 PolarHBondContact O-N 3.35Å; A50-S54 PolarHBondContact O-OG 3.48Å; A50-S54 VanDerWaalsContact O-OG 3.08Å; S54-Y56 PolarHBondContact O-N 3.26Å; S54-Y56 PolarHBondContact OG-N 3.12Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.48Å; S54-N57 PolarHBondContact O-N 3.16Å; S54-N57 VanDerWaalsContact O-N 3.15Å; S54-N57 PolarHBondContact OG-N 3.27Å; S54-I74 WeakPolarHBondContact OG-CA 3.25Å; S54-I74 PolarHBondContact OG-O 2.87Å
55S98.6Very high98.6Very high65 Ų6543.2 Ų43.246%0.45522%0.223SC..THydrogen-bonded Turntrans49.441.7-164.7-660000112.6A50 K51 N57A50-S55 PolarHBondContact O-N 2.85Å; K51-S55 PolarHBondContact NZ-OG 3.26Å; K51-S55 VanDerWaalsContact NZ-OG 3.09Å; K51-S55 VanDerWaalsContact O-CA 3.31Å; K51-S55 WeakPolarHBondContact O-CA 3.1Å; K51-S55 PolarHBondContact O-N 3.15Å; K51-S55 VanDerWaalsContact O-N 3.12Å; K51-S55 PolarHBondContact O-OG 2.91Å; S55-N57 PolarHBondContact O-N 3.32Å
56Y98.8Very high98.5Very high22 Ų2245.9 Ų45.99%0.08626%0.257CS..THydrogen-bonded Turntrans6517.1179.8-44.1-46.6000115.7Y21 R23 L26 M47 A50 K51 S54Y21-Y56 PolarHBondContact N-O 3.05Å; R23-Y56 HydrophobicContact CB-CE2 4.19Å; R23-Y56 HydrophobicContact CG-CE2 4.48Å; L26-Y56 HydrophobicContact CD2-CD1 3.39Å; L26-Y56 HydrophobicContact CD2-CE1 3.93Å; L26-Y56 HydrophobicContact CD2-CG 4.02Å; M47-Y56 HydrophobicContact CE-CE1 3.93Å; M47-Y56 WeakPolarHBondContact O-CE1 3.08Å; A50-Y56 HydrophobicContact CB-CD1 3.86Å; A50-Y56 HydrophobicContact CB-CE1 4.12Å; A50-Y56 PolarHBondContact O-N 2.96Å; K51-Y56 VanDerWaalsContact CA-CE1 3.48Å; K51-Y56 HydrophobicContact CB-CD1 4.49Å; K51-Y56 HydrophobicContact CB-CE1 3.62Å; K51-Y56 HydrophobicContact CD-CE1 4.38Å; K51-Y56 HydrophobicContact CD-CE2 3.89Å; S54-Y56 PolarHBondContact O-N 3.26Å; S54-Y56 PolarHBondContact OG-N 3.12Å
57N98.6Very high98.4Very high44 Ų4448 Ų4824%0.23527%0.268CS..BIsolated β-bridgetrans-88.1118.9180-176.7-4.7000111.5I20 S54 S55 K59 A60I20-N57 HydrophobicContact CG1-CB 4.13Å; S54-N57 VanDerWaalsContact O-CB 3.24Å; S54-N57 WeakPolarHBondContact O-CB 3.48Å; S54-N57 PolarHBondContact O-N 3.16Å; S54-N57 VanDerWaalsContact O-N 3.15Å; S54-N57 PolarHBondContact OG-N 3.27Å; S55-N57 PolarHBondContact O-N 3.32Å; N57-K59 PolarHBondContact O-N 3.34Å; N57-K59 PolarHBondContact OD1-N 3.34Å; N57-A60 HydrophobicContact CB-CB 4.28Å; N57-A60 PolarHBondContact O-N 3.48Å
58T98.6Very high98.4Very high1 Ų154 Ų541%0.00630%0.295CS..THydrogen-bonded Turntrans-67.4-19.4178.458.70000113.5K19 Y21 G73 L103 D105 I107K19-T58 HydrophobicContact CB-CG2 4.31Å; K19-T58 PolarHBondContact N-OG1 3.4Å; K19-T58 PolarHBondContact O-N 3.44Å; K19-T58 PolarHBondContact O-OG1 2.97Å; Y21-T58 HydrophobicContact CD2-CG2 3.96Å; Y21-T58 HydrophobicContact CE2-CG2 3.68Å; T58-G73 VanDerWaalsContact O-CA 3.28Å; T58-G73 WeakPolarHBondContact O-CA 3.47Å; T58-L103 WeakPolarHBondContact O-CA 3.4Å; T58-D105 PolarHBondContact OG1-OD1 3.25Å; T58-I107 HydrophobicContact CG2-CG2 3.74Å
59K98Very high98.3Very high67 Ų6754.1 Ų54.129%0.29130%0.295SS..THydrogen-bonded Turntrans-104.79.4-179.5-68.4-160.5-176.5-151.80114.9V16 N57 T61V16-K59 WeakPolarHBondContact O-CE 3.31Å; V16-K59 PolarHBondContact O-NZ 2.87Å; N57-K59 PolarHBondContact O-N 3.34Å; N57-K59 PolarHBondContact OD1-N 3.34Å; K59-T61 PolarHBondContact O-N 2.93Å
60A98.4Very high98.3Very high18 Ų1854.5 Ų54.515%0.14930%0.297CS..  trans-59.3131.7174.900000110.4N57 G73 Q76N57-A60 HydrophobicContact CB-CB 4.28Å; N57-A60 PolarHBondContact O-N 3.48Å; A60-G73 PolarHBondContact O-N 3.25Å; A60-Q76 PolarHBondContact O-NE2 3.33Å
61T98.6Very high98.3Very high85 Ų8555.5 Ų55.552%0.52130%0.303SS..EExtended strand (participates in β ladder)trans-135.9139.5170.857.40000110K59 D71 Y72 L103K59-T61 PolarHBondContact O-N 2.93Å; T61-D71 VanDerWaalsContact CA-O 3.23Å; T61-D71 WeakPolarHBondContact CA-O 3.37Å; T61-Y72 HydrophobicContact CG2-CD1 4.03Å; T61-Y72 HydrophobicContact CG2-CE1 4.32Å; T61-L103 HydrophobicContact CG2-CD1 4.3Å; T61-L103 HydrophobicContact CG2-CD2 3.82Å
62N98.5Very high98.3Very high78 Ų7853 Ų5342%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-128.3120.8175.917655.3000109.6N64 T70 D71N62-N64 PolarHBondContact ND2-OD1 3.38Å; N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.26Å; N62-T70 WeakPolarHBondContact O-CA 3.49Å; N62-T70 WeakPolarHBondContact O-CG2 3.44Å; N62-D71 HydrophobicContact CB-CB 4.23Å; N62-D71 PolarHBondContact N-O 3.32Å; N62-D71 VanDerWaalsContact N-O 3.16Å; N62-D71 PolarHBondContact ND2-OD2 3.25Å; N62-D71 VanDerWaalsContact ND2-OD2 3.16Å; N62-D71 PolarHBondContact O-N 3.19Å
63Y98.6Very high98.3Very high122 Ų12247.8 Ų47.848%0.47827%0.272SS..EExtended strand (participates in β ladder)trans-86.8134.4177.8178.8-110.3000110.1P65 S69 T70Y63-P65 HydrophobicContact CD1-CG 4.04Å; Y63-P65 HydrophobicContact CE1-CB 4.16Å; Y63-P65 HydrophobicContact CE1-CG 4.08Å; Y63-P65 WeakPolarHBondContact O-CD 3.4Å; Y63-S69 VanDerWaalsContact CD2-O 3.31Å; Y63-S69 WeakPolarHBondContact CD2-O 3.45Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.37Å
64N98.2Very high98.3Very high40 Ų4045.7 Ų45.721%0.21426%0.262CS..EExtended strand (participates in β ladder)trans-108.199.3-178.9-63.9-55.8000109.9N62 G66 D67 K68 S69 D71 N78N62-N64 PolarHBondContact ND2-OD1 3.38Å; N64-G66 VanDerWaalsContact C-N 3.3Å; N64-G66 PolarHBondContact O-N 3.08Å; N64-D67 PolarHBondContact O-N 2.68Å; N64-K68 VanDerWaalsContact O-CA 3.32Å; N64-K68 WeakPolarHBondContact O-CA 3.48Å; N64-K68 PolarHBondContact O-N 3Å; N64-S69 WeakPolarHBondContact CB-OG 3.21Å; N64-S69 PolarHBondContact N-O 3.33Å; N64-S69 PolarHBondContact ND2-OG 3.19Å; N64-D71 PolarHBondContact ND2-OD1 3.24Å; N64-D71 PolarHBondContact ND2-OD2 2.93Å; N64-N78 PolarHBondContact ND2-ND2 3.24Å
65P97.1Very high98.4Very high99 Ų9945 Ų4564%0.64326%0.258SS*.THydrogen-bonded Turntrans-64.2-33.1-173-22.834.2000113.7Y63 D67Y63-P65 HydrophobicContact CD1-CG 4.04Å; Y63-P65 HydrophobicContact CE1-CB 4.16Å; Y63-P65 HydrophobicContact CE1-CG 4.08Å; Y63-P65 WeakPolarHBondContact O-CD 3.4Å; P65-D67 PolarHBondContact O-N 3.01Å
66G97.1Very high98.4Very high85 Ų8542.7 Ų42.788%0.87624%0.239SC*.THydrogen-bonded Turntrans-61.8-30.5-175.100000113.8N64N64-G66 VanDerWaalsContact C-N 3.3Å; N64-G66 PolarHBondContact O-N 3.08Å
67D96.5Very high98.4Very high46 Ų4641.8 Ų41.825%0.24624%0.236CC..THydrogen-bonded Turntrans-1304.8-179.986.7-26.4000113.1N64 P65 S69 R80N64-D67 PolarHBondContact O-N 2.68Å; P65-D67 PolarHBondContact O-N 3.01Å; D67-S69 PolarHBondContact O-N 3.42Å; D67-S69 VanDerWaalsContact O-N 3.16Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 2.87Å; D67-S69 PolarHBondContact OD1-OG 3.07Å; D67-S69 PolarHBondContact OD2-OG 3.46Å; D67-R80 VanDerWaalsContact CB-NH2 3.32Å; D67-R80 PolarHBondContact O-NH2 3.17Å; D67-R80 IonicContact OD2-CZ 3.38Å; D67-R80 IonicContact OD2-NH1 3.5Å; D67-R80 PolarHBondContact OD2-NH1 3.18Å; D67-R80 IonicContact OD2-NH2 2.68Å; D67-R80 PolarHBondContact OD2-NH2 3.04Å
68K98.3Very high98.4Very high126 Ų12640.7 Ų40.755%0.54823%0.23SC..THydrogen-bonded Turntrans59.123.7179.3-47.3179.1-178.6-178.80113N64 T88 P89N64-K68 VanDerWaalsContact O-CA 3.32Å; N64-K68 WeakPolarHBondContact O-CA 3.48Å; N64-K68 PolarHBondContact O-N 3Å; K68-T88 PolarHBondContact O-OG1 3.08Å; K68-P89 HydrophobicContact CB-CG 4.37Å; K68-P89 HydrophobicContact CD-CG 4.25Å
69S98.7Very high98.4Very high1 Ų140.7 Ų40.71%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-85.7172.2170.171.30000111.2Y63 N64 D67 N78Y63-S69 VanDerWaalsContact CD2-O 3.31Å; Y63-S69 WeakPolarHBondContact CD2-O 3.45Å; N64-S69 WeakPolarHBondContact CB-OG 3.21Å; N64-S69 PolarHBondContact N-O 3.33Å; N64-S69 PolarHBondContact ND2-OG 3.19Å; D67-S69 PolarHBondContact O-N 3.42Å; D67-S69 VanDerWaalsContact O-N 3.16Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 2.87Å; D67-S69 PolarHBondContact OD1-OG 3.07Å; D67-S69 PolarHBondContact OD2-OG 3.46Å; S69-N78 WeakPolarHBondContact CB-ND2 3.39Å; S69-N78 WeakPolarHBondContact CB-OD1 3.26Å; S69-N78 PolarHBondContact OG-ND2 3.05Å
70T98.9Very high98.4Very high8 Ų839.4 Ų39.45%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-142.3140.1173.6-52.30000108.4N62 Y63 Y72 S79N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.26Å; N62-T70 WeakPolarHBondContact O-CA 3.49Å; N62-T70 WeakPolarHBondContact O-CG2 3.44Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.37Å; T70-Y72 VanDerWaalsContact CB-CE2 3.43Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 4.23Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 WeakPolarHBondContact O-CD2 3.36Å; T70-Y72 WeakPolarHBondContact O-CE2 3.48Å; T70-S79 PolarHBondContact N-OG 3.43Å; T70-S79 PolarHBondContact O-N 3Å; T70-S79 PolarHBondContact O-OG 3.01Å
71D98.9Very high98.4Very high22 Ų2244.4 Ų44.412%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-92.5139.1173.9-54.4-48.1000109.8T61 N62 N64 Q76 N78T61-D71 VanDerWaalsContact CA-O 3.23Å; T61-D71 WeakPolarHBondContact CA-O 3.37Å; N62-D71 HydrophobicContact CB-CB 4.23Å; N62-D71 PolarHBondContact N-O 3.32Å; N62-D71 VanDerWaalsContact N-O 3.16Å; N62-D71 PolarHBondContact ND2-OD2 3.25Å; N62-D71 VanDerWaalsContact ND2-OD2 3.16Å; N62-D71 PolarHBondContact O-N 3.19Å; N64-D71 PolarHBondContact ND2-OD1 3.24Å; N64-D71 PolarHBondContact ND2-OD2 2.93Å; D71-Q76 HydrophobicContact CB-CB 3.82Å; D71-Q76 HydrophobicContact CB-CG 4.4Å; D71-N78 WeakPolarHBondContact OD1-CA 3.23Å; D71-N78 VanDerWaalsContact OD1-CB 3.23Å; D71-N78 WeakPolarHBondContact OD1-CB 3.46Å; D71-N78 PolarHBondContact OD1-ND2 2.91Å
72Y98.9Very high98.5Very high15 Ų1541.8 Ų41.86%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-126.4132.8-171.2-67.6-95.7000113.4T61 T70 Q76 I77 N85 C99 L103T61-Y72 HydrophobicContact CG2-CD1 4.03Å; T61-Y72 HydrophobicContact CG2-CE1 4.32Å; T70-Y72 VanDerWaalsContact CB-CE2 3.43Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 4.23Å; T70-Y72 HydrophobicContact CG2-CE2 3.7Å; T70-Y72 WeakPolarHBondContact O-CD2 3.36Å; T70-Y72 WeakPolarHBondContact O-CE2 3.48Å; Y72-Q76 WeakPolarHBondContact O-CA 3.08Å; Y72-Q76 PolarHBondContact O-N 3.15Å; Y72-I77 PolarHBondContact N-O 2.91Å; Y72-I77 PolarHBondContact O-N 3.22Å; Y72-N85 HydrophobicContact CE2-CB 4.42Å; Y72-N85 VanDerWaalsContact OH-CB 3.27Å; Y72-N85 WeakPolarHBondContact OH-CB 3.18Å; Y72-N85 PolarHBondContact OH-ND2 3.13Å; Y72-C99 HydrophobicContact CD1-CB 3.75Å; Y72-C99 HydrophobicContact CD2-CB 3.74Å; Y72-C99 HydrophobicContact CE1-CB 3.71Å; Y72-C99 HydrophobicContact CE2-CB 3.69Å; Y72-C99 HydrophobicContact CG-CB 3.78Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.07Å; Y72-L103 HydrophobicContact CD1-CG 4.08Å; Y72-L103 HydrophobicContact CE1-CD1 4.41Å
73G98.7Very high98.5Very high0 Ų038.1 Ų38.10%020%0.2CC..THydrogen-bonded Turntrans71.6-160.9163.400000114.7T58 A60 F75 Q76 L102T58-G73 VanDerWaalsContact O-CA 3.28Å; T58-G73 WeakPolarHBondContact O-CA 3.47Å; A60-G73 PolarHBondContact O-N 3.25Å; G73-F75 PolarHBondContact O-N 3.39Å; G73-F75 VanDerWaalsContact O-N 3.07Å; G73-Q76 PolarHBondContact O-N 2.04Å; G73-Q76 PolarHBondContact O-NE2 2.88Å; G73-L102 WeakPolarHBondContact CA-O 3.28Å
74I98.8Very high98.5Very high1 Ų136 Ų361%0.00520%0.197CC..THydrogen-bonded Turntrans-60.9-26.2-167.1-161167.2000114.2Y21 L26 A50 S54 I107 A110Y21-I74 HydrophobicContact CD2-CD1 4.18Å; L26-I74 HydrophobicContact CD1-CD1 3.57Å; L26-I74 HydrophobicContact CD2-CD1 3.78Å; L26-I74 HydrophobicContact CG-CD1 4.35Å; A50-I74 HydrophobicContact CB-CG1 4.22Å; S54-I74 WeakPolarHBondContact OG-CA 3.25Å; S54-I74 PolarHBondContact OG-O 2.87Å; I74-I107 HydrophobicContact CD1-CG2 4.2Å; I74-I107 HydrophobicContact CG2-CG2 4.21Å; I74-A110 HydrophobicContact CG2-CB 4.17Å
75F98.9Very high98.5Very high1 Ų135.7 Ų35.70%0.00420%0.196CC..THydrogen-bonded Turntrans-109.18178.3-57.9-55.2000113.5L30 M35 L49 A50 G73 I77 A110 V111 A114 W127L30-F75 HydrophobicContact CD2-CZ 3.79Å; M35-F75 HydrophobicContact CE-CZ 4.14Å; L49-F75 HydrophobicContact CD2-CD1 4.13Å; A50-F75 HydrophobicContact CB-CD1 4.3Å; A50-F75 HydrophobicContact CB-CE1 4.14Å; G73-F75 PolarHBondContact O-N 3.39Å; G73-F75 VanDerWaalsContact O-N 3.07Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 HydrophobicContact CB-CD1 4.2Å; F75-I77 HydrophobicContact CB-CG1 4Å; F75-I77 HydrophobicContact CD2-CD1 4.47Å; F75-I77 PolarHBondContact O-N 2.83Å; F75-A110 HydrophobicContact CD2-CB 4.11Å; F75-A110 HydrophobicContact CE2-CB 4.3Å; F75-V111 HydrophobicContact CE2-CG2 3.94Å; F75-V111 HydrophobicContact CZ-CG2 4.22Å; F75-A114 HydrophobicContact CD2-CB 3.76Å; F75-A114 HydrophobicContact CE2-CB 3.98Å; F75-A114 HydrophobicContact CG-CB 4.35Å; F75-W127 PolarHBondContact O-NE1 3.24Å
76Q98.8Very high98.6Very high16 Ų1634.5 Ų34.58%0.07520%0.201CC..THydrogen-bonded Turntrans47.350.9-178.9-69.8-60.8-85.100112.6E53 A60 D71 Y72 G73 N78E53-Q76 HydrophobicContact CB-CB 3.97Å; E53-Q76 HydrophobicContact CB-CG 3.69Å; E53-Q76 HydrophobicContact CG-CB 4.3Å; E53-Q76 WeakPolarHBondContact O-CG 3.36Å; E53-Q76 VanDerWaalsContact OE2-CB 3.32Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.42Å; A60-Q76 PolarHBondContact O-NE2 3.33Å; D71-Q76 HydrophobicContact CB-CB 3.82Å; D71-Q76 HydrophobicContact CB-CG 4.4Å; Y72-Q76 WeakPolarHBondContact O-CA 3.08Å; Y72-Q76 PolarHBondContact O-N 3.15Å; G73-Q76 PolarHBondContact O-N 2.04Å; G73-Q76 PolarHBondContact O-NE2 2.88Å; Q76-N78 PolarHBondContact O-N 3.37Å
77I98.9Very high98.6Very high3 Ų337 Ų372%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-75.2123.4-178.4-71.1169.7000109.2Y72 F75 W82 L102 C113 A114Y72-I77 PolarHBondContact N-O 2.91Å; Y72-I77 PolarHBondContact O-N 3.22Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 HydrophobicContact CB-CD1 4.2Å; F75-I77 HydrophobicContact CB-CG1 4Å; F75-I77 HydrophobicContact CD2-CD1 4.47Å; F75-I77 PolarHBondContact O-N 2.83Å; I77-W82 HydrophobicContact CG2-CB 3.32Å; I77-W82 HydrophobicContact CG2-CG 3.75Å; I77-L102 HydrophobicContact CB-CD1 3.9Å; I77-L102 HydrophobicContact CD1-CD2 4.15Å; I77-L102 HydrophobicContact CG2-CD1 3.85Å; I77-C113 HydrophobicContact CD1-CB 3.98Å; I77-A114 HydrophobicContact CD1-CB 4.33Å
78N98.9Very high98.7Very high21 Ų2135.4 Ų35.411%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-79135-171.5-171.1-84.6000114.1N64 S69 D71 Q76 R80 Y81 W82N64-N78 PolarHBondContact ND2-ND2 3.24Å; S69-N78 WeakPolarHBondContact CB-ND2 3.39Å; S69-N78 WeakPolarHBondContact CB-OD1 3.26Å; S69-N78 PolarHBondContact OG-ND2 3.05Å; D71-N78 WeakPolarHBondContact OD1-CA 3.23Å; D71-N78 VanDerWaalsContact OD1-CB 3.23Å; D71-N78 WeakPolarHBondContact OD1-CB 3.46Å; D71-N78 PolarHBondContact OD1-ND2 2.91Å; Q76-N78 PolarHBondContact O-N 3.37Å; N78-R80 VanDerWaalsContact C-N 3.32Å; N78-R80 PolarHBondContact O-N 3.45Å; N78-R80 WeakPolarHBondContact OD1-CA 3.42Å; N78-R80 WeakPolarHBondContact OD1-CB 3.41Å; N78-R80 PolarHBondContact OD1-N 3.49Å; N78-Y81 PolarHBondContact O-N 2.97Å; N78-W82 PolarHBondContact O-N 3.07Å; N78-W82 VanDerWaalsContact O-N 3.13Å
79S98.9Very high98.7Very high0 Ų032.1 Ų32.10%017%0.171CC..THydrogen-bonded Turntrans-70.8-15.1179.658.10000115.8T70 Y81 N85 T88 A91T70-S79 PolarHBondContact N-OG 3.43Å; T70-S79 PolarHBondContact O-N 3Å; T70-S79 PolarHBondContact O-OG 3.01Å; S79-Y81 PolarHBondContact O-N 3.26Å; S79-N85 PolarHBondContact OG-ND2 3.43Å; S79-T88 PolarHBondContact OG-OG1 3.25Å; S79-A91 VanDerWaalsContact O-CB 3.31Å; S79-A91 WeakPolarHBondContact O-CB 2.99Å
80R98.7Very high98.6Very high40 Ų4042.9 Ų42.915%0.15121%0.211CC..THydrogen-bonded Turntrans-63.9-35.7175.6178.558.466.570.4-3.9111.1D67 N78 T88 P89 A91 V92D67-R80 VanDerWaalsContact CB-NH2 3.32Å; D67-R80 PolarHBondContact O-NH2 3.17Å; D67-R80 IonicContact OD2-CZ 3.38Å; D67-R80 IonicContact OD2-NH1 3.5Å; D67-R80 PolarHBondContact OD2-NH1 3.18Å; D67-R80 IonicContact OD2-NH2 2.68Å; D67-R80 PolarHBondContact OD2-NH2 3.04Å; N78-R80 VanDerWaalsContact C-N 3.32Å; N78-R80 PolarHBondContact O-N 3.45Å; N78-R80 WeakPolarHBondContact OD1-CA 3.42Å; N78-R80 WeakPolarHBondContact OD1-CB 3.41Å; N78-R80 PolarHBondContact OD1-N 3.49Å; R80-T88 HydrophobicContact CB-CG2 4.31Å; R80-P89 PolarHBondContact NE-O 2.99Å; R80-P89 VanDerWaalsContact NE-O 3.13Å; R80-A91 VanDerWaalsContact O-CA 3.26Å; R80-A91 WeakPolarHBondContact O-CA 3.38Å; R80-V92 PolarHBondContact O-N 3.28Å; R80-V92 VanDerWaalsContact O-N 3.08Å
81Y98.7Very high98.5Very high124 Ų12444.2 Ų44.249%0.48622%0.224SC..THydrogen-bonded Turntrans-114.3-41-170-50.2-71.8000112.7N78 S79 N93 A94N78-Y81 PolarHBondContact O-N 2.97Å; S79-Y81 PolarHBondContact O-N 3.26Å; Y81-N93 PolarHBondContact O-N 2.89Å; Y81-A94 WeakPolarHBondContact O-CB 3.42Å; Y81-A94 PolarHBondContact O-N 3.18Å
82W98.9Very high98.4Very high30 Ų3048.2 Ų48.211%0.11425%0.248CC..THydrogen-bonded Turntrans-107.4-38.6-156.8-55.3112.9000114.7I77 N78 N93 A94 C95 R116 V117 D120I77-W82 HydrophobicContact CG2-CB 3.32Å; I77-W82 HydrophobicContact CG2-CG 3.75Å; N78-W82 PolarHBondContact O-N 3.07Å; N78-W82 VanDerWaalsContact O-N 3.13Å; W82-N93 CarbonylContact O-C 3.43Å; W82-N93 PolarHBondContact O-OD1 3.34Å; W82-A94 HydrophobicContact CE3-CB 3.89Å; W82-A94 HydrophobicContact CZ3-CB 4.1Å; W82-A94 PolarHBondContact O-N 2.94Å; W82-C95 WeakPolarHBondContact O-CB 3.32Å; W82-C95 PolarHBondContact O-N 3.39Å; W82-R116 HydrophobicContact CZ3-CG 4.41Å; W82-V117 HydrophobicContact CD2-CG2 3.53Å; W82-V117 HydrophobicContact CE3-CG2 3.71Å; W82-V117 HydrophobicContact CG-CG2 4.04Å; W82-V117 HydrophobicContact CH2-CB 4.14Å; W82-V117 HydrophobicContact CH2-CG1 4.06Å; W82-V117 HydrophobicContact CH2-CG2 4.12Å; W82-V117 HydrophobicContact CZ2-CB 4.13Å; W82-V117 HydrophobicContact CZ2-CG1 3.69Å; W82-V117 HydrophobicContact CZ2-CG2 3.94Å; W82-V117 HydrophobicContact CZ3-CB 4.33Å; W82-V117 HydrophobicContact CZ3-CG2 4.01Å; W82-D120 WeakPolarHBondContact CH2-OD2 3.33Å
83C98.9Very high98.4Very high0 Ų049.1 Ų49.10%025%0.254CS..  trans-131.3159.7-177.266.60000111.6N93 I97 C99 L102C83-N93 VanDerWaalsContact CA-OD1 3.32Å; C83-N93 WeakPolarHBondContact CA-OD1 3.31Å; C83-I97 HydrophobicContact CB-CD1 4.46Å; C83-I97 HydrophobicContact CB-CG1 4.01Å; C83-C99 HydrophobicContact CB-CB 3.94Å; C83-C99 WeakPolarHBondContact CB-SG 3.1Å; C83-C99 PolarHBondContact O-SG 3.29Å; C83-C99 VanDerWaalsContact SG-CA 3.5Å; C83-C99 WeakPolarHBondContact SG-CB 3.39Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 2.83Å; C83-L102 HydrophobicContact CB-CD1 3.9Å; C83-L102 VanDerWaalsContact SG-CD1 3.6Å
84N98.8Very high98.4Very high78 Ų7850.2 Ų50.242%0.41726%0.263SS..BIsolated β-bridgetrans-99.3126.3175.4-174.915.7000111.9G86 N93 I97 S98 C99N84-G86 PolarHBondContact OD1-N 2.97Å; N84-N93 HydrophobicContact CB-CB 4.14Å; N84-N93 PolarHBondContact N-OD1 3.24Å; N84-I97 PolarHBondContact N-O 2.72Å; N84-S98 CarbonylContact O-C 3.58Å; N84-S98 WeakPolarHBondContact O-CA 3.39Å; N84-C99 PolarHBondContact O-N 2.73Å
85N98.5Very high98.4Very high34 Ų3451.2 Ų51.218%0.18227%0.27CS..  trans-114.34.1172.568.11.4000113.6Y72 S79 K87 T88 C99Y72-N85 HydrophobicContact CE2-CB 4.42Å; Y72-N85 VanDerWaalsContact OH-CB 3.27Å; Y72-N85 WeakPolarHBondContact OH-CB 3.18Å; Y72-N85 PolarHBondContact OH-ND2 3.13Å; S79-N85 PolarHBondContact OG-ND2 3.43Å; N85-K87 HydrophobicContact CB-CG 4.38Å; N85-K87 PolarHBondContact O-N 2.76Å; N85-K87 WeakPolarHBondContact OD1-CG 3.04Å; N85-K87 PolarHBondContact OD1-N 2.88Å; N85-T88 PolarHBondContact ND2-OG1 3.25Å; N85-T88 PolarHBondContact OD1-N 3.34Å; N85-T88 PolarHBondContact OD1-OG1 3.07Å; N85-C99 HydrophobicContact CB-CB 4.09Å
86G98.3Very high98.4Very high73 Ų7358.9 Ų58.975%0.75331%0.306SS*.SBendtrans72.7-1.7179.700000115.9N84N84-G86 PolarHBondContact OD1-N 2.97Å
87K97.8Very high98.4Very high139 Ų13959.4 Ų59.460%0.60431%0.309SS*.  trans-131-18-173.563.2178.6-179.6177.50115.1N85 P89N85-K87 HydrophobicContact CB-CG 4.38Å; N85-K87 PolarHBondContact O-N 2.76Å; N85-K87 WeakPolarHBondContact OD1-CG 3.04Å; N85-K87 PolarHBondContact OD1-N 2.88Å; K87-P89 WeakPolarHBondContact O-CD 3.25Å
88T98.6Very high98.4Very high12 Ų1262 Ų627%0.07433%0.327CS..SBendtrans-76.3120.3177.5-64.80000110.5K68 S79 R80 N85 A91K68-T88 PolarHBondContact O-OG1 3.08Å; S79-T88 PolarHBondContact OG-OG1 3.25Å; R80-T88 HydrophobicContact CB-CG2 4.31Å; N85-T88 PolarHBondContact ND2-OG1 3.25Å; N85-T88 PolarHBondContact OD1-N 3.34Å; N85-T88 PolarHBondContact OD1-OG1 3.07Å; T88-A91 HydrophobicContact CG2-CB 4.3Å
89P97.7Very high98.4Very high56 Ų5661 Ų6136%0.36432%0.322SS..THydrogen-bonded Turntrans-64.6140.4-179.1-20.933000112.1K68 R80 K87 A91K68-P89 HydrophobicContact CB-CG 4.37Å; K68-P89 HydrophobicContact CD-CG 4.25Å; R80-P89 PolarHBondContact NE-O 2.99Å; R80-P89 VanDerWaalsContact NE-O 3.13Å; K87-P89 WeakPolarHBondContact O-CD 3.25Å; P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 3.21Å
90R96.4Very high98.3Very high227 Ų22765.8 Ų65.886%0.85735%0.347SS*.THydrogen-bonded Turntrans53.139.6175.3-57.7-179.8-68.1-169.5-1.5113.5
91A97.6Very high98.3Very high37 Ų3765 Ų6531%0.30635%0.349SS..  trans-77.4148.6177.700000112.6S79 R80 T88 P89S79-A91 VanDerWaalsContact O-CB 3.31Å; S79-A91 WeakPolarHBondContact O-CB 2.99Å; R80-A91 VanDerWaalsContact O-CA 3.26Å; R80-A91 WeakPolarHBondContact O-CA 3.38Å; T88-A91 HydrophobicContact CG2-CB 4.3Å; P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 3.21Å
92V97.5Very high98.3Very high105 Ų10559.2 Ų59.264%0.63633%0.327SS*.  trans-97.8-35.9-176.5-1780000113.3R80R80-V92 PolarHBondContact O-N 3.28Å; R80-V92 VanDerWaalsContact O-N 3.08Å
93N98.5Very high98.3Very high34 Ų3459.4 Ų59.418%0.18233%0.33CS..  trans57.352.2-175.4-171.821000114.1Y81 W82 C83 N84 C95 H96 I97Y81-N93 PolarHBondContact O-N 2.89Å; W82-N93 CarbonylContact O-C 3.43Å; W82-N93 PolarHBondContact O-OD1 3.34Å; C83-N93 VanDerWaalsContact CA-OD1 3.32Å; C83-N93 WeakPolarHBondContact CA-OD1 3.31Å; N84-N93 HydrophobicContact CB-CB 4.14Å; N84-N93 PolarHBondContact N-OD1 3.24Å; N93-C95 PolarHBondContact O-N 3.14Å; N93-C95 VanDerWaalsContact O-N 3.15Å; N93-H96 PolarHBondContact O-N 3.04Å; N93-H96 WeakPolarHBondContact OD1-CA 3.45Å; N93-H96 PolarHBondContact OD1-N 3.28Å; N93-I97 PolarHBondContact OD1-N 2.94Å; N93-I97 PolarHBondContact OD1-O 3.33Å; N93-I97 VanDerWaalsContact OD1-O 3.05Å
94A98.6Very high98.3Very high23 Ų2364.4 Ų64.419%0.1935%0.353CS..THydrogen-bonded Turntrans-64.9-15.4-176.800000115.3Y81 W82Y81-A94 WeakPolarHBondContact O-CB 3.42Å; Y81-A94 PolarHBondContact O-N 3.18Å; W82-A94 HydrophobicContact CE3-CB 3.89Å; W82-A94 HydrophobicContact CZ3-CB 4.1Å; W82-A94 PolarHBondContact O-N 2.94Å
95C98.7Very high98.2Very high22 Ų2263.8 Ų63.815%0.14935%0.35CS..THydrogen-bonded Turntrans-91.8-5.6171.6-640000113.1W82 N93 I97 C113W82-C95 WeakPolarHBondContact O-CB 3.32Å; W82-C95 PolarHBondContact O-N 3.39Å; N93-C95 PolarHBondContact O-N 3.14Å; N93-C95 VanDerWaalsContact O-N 3.15Å; C95-I97 HydrophobicContact CB-CD1 4.01Å; C95-I97 HydrophobicContact CB-CG1 3.84Å; C95-I97 PolarHBondContact O-N 3.3Å; C95-C113 HydrophobicContact CB-CB 3.78Å; C95-C113 WeakPolarHBondContact CB-SG 3.05Å; C95-C113 WeakPolarHBondContact SG-CA 3.49Å; C95-C113 WeakPolarHBondContact SG-CB 3.43Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.15Å
96H98.6Very high98.2Very high163 Ų16367.2 Ų67.276%0.75537%0.368SS*.  trans56.243.2-179.5-54.7-72.2000114.2N93N93-H96 PolarHBondContact O-N 3.04Å; N93-H96 WeakPolarHBondContact OD1-CA 3.45Å; N93-H96 PolarHBondContact OD1-N 3.28Å
97I98.6Very high98.2Very high27 Ų2763.9 Ų63.914%0.13833%0.333CS..SBendtrans-135.2157.4-177.557.5174.5000112.2C83 N84 N93 C95 A101 L102 C113C83-I97 HydrophobicContact CB-CD1 4.46Å; C83-I97 HydrophobicContact CB-CG1 4.01Å; N84-I97 PolarHBondContact N-O 2.72Å; N93-I97 PolarHBondContact OD1-N 2.94Å; N93-I97 PolarHBondContact OD1-O 3.33Å; N93-I97 VanDerWaalsContact OD1-O 3.05Å; C95-I97 HydrophobicContact CB-CD1 4.01Å; C95-I97 HydrophobicContact CB-CG1 3.84Å; C95-I97 PolarHBondContact O-N 3.3Å; I97-A101 HydrophobicContact CB-CB 4.45Å; I97-L102 HydrophobicContact CD1-CD1 4.49Å; I97-L102 HydrophobicContact CD1-CD2 3.65Å; I97-L102 HydrophobicContact CD1-CG 3.98Å; I97-C113 HydrophobicContact CD1-CB 4.03Å
98S98.8Very high98.2Very high58 Ų5859.6 Ų59.641%0.40632%0.321SS..BIsolated β-bridgetrans-68.8140.1161.4176.40000109.8N84 N100 A101N84-S98 CarbonylContact O-C 3.58Å; N84-S98 WeakPolarHBondContact O-CA 3.39Å; S98-N100 PolarHBondContact O-N 3.42Å; S98-N100 VanDerWaalsContact O-N 3.13Å; S98-N100 PolarHBondContact OG-N 3.49Å; S98-A101 VanDerWaalsContact O-CB 3.25Å; S98-A101 WeakPolarHBondContact O-CB 3.49Å; S98-A101 PolarHBondContact O-N 3.26Å
99C98.8Very high98.3Very high0 Ų063.6 Ų63.60%034%0.338CS..G310 helixtrans-60.3-21.9173.7-61.40000112.8Y72 C83 N84 N85 A101 L102Y72-C99 HydrophobicContact CD1-CB 3.75Å; Y72-C99 HydrophobicContact CD2-CB 3.74Å; Y72-C99 HydrophobicContact CE1-CB 3.71Å; Y72-C99 HydrophobicContact CE2-CB 3.69Å; Y72-C99 HydrophobicContact CG-CB 3.78Å; C83-C99 HydrophobicContact CB-CB 3.94Å; C83-C99 WeakPolarHBondContact CB-SG 3.1Å; C83-C99 PolarHBondContact O-SG 3.29Å; C83-C99 VanDerWaalsContact SG-CA 3.5Å; C83-C99 WeakPolarHBondContact SG-CB 3.39Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 2.83Å; N84-C99 PolarHBondContact O-N 2.73Å; N85-C99 HydrophobicContact CB-CB 4.09Å; C99-A101 PolarHBondContact O-N 2.91Å; C99-L102 VanDerWaalsContact O-CB 3.32Å; C99-L102 WeakPolarHBondContact O-CB 3.32Å; C99-L102 PolarHBondContact O-N 3.38Å; C99-L102 VanDerWaalsContact O-N 3.07Å
100N98.4Very high98.3Very high100 Ų10061 Ų6154%0.53532%0.322SS..G310 helixtrans-65.6-23173.8-69.3-16.6000113.1S98 L102 L103 Q104S98-N100 PolarHBondContact O-N 3.42Å; S98-N100 VanDerWaalsContact O-N 3.13Å; S98-N100 PolarHBondContact OG-N 3.49Å; N100-L102 PolarHBondContact O-N 3.2Å; N100-L103 PolarHBondContact O-N 2.86Å; N100-Q104 PolarHBondContact O-NE2 3.08Å
101A98.5Very high98.4Very high23 Ų2350.4 Ų50.419%0.1928%0.283CS..G310 helixtrans-67.1-22.3174.100000112.2I97 S98 C99 L103 Q109I97-A101 HydrophobicContact CB-CB 4.45Å; S98-A101 VanDerWaalsContact O-CB 3.25Å; S98-A101 WeakPolarHBondContact O-CB 3.49Å; S98-A101 PolarHBondContact O-N 3.26Å; C99-A101 PolarHBondContact O-N 2.91Å; A101-L103 VanDerWaalsContact C-N 3.32Å; A101-Q109 HydrophobicContact CB-CB 4.21Å; A101-Q109 HydrophobicContact CB-CG 4.34Å
102L98.8Very high98.5Very high3 Ų351.2 Ų51.22%0.01629%0.289CS..G310 helixtrans-82-12.5177.2-57173.2000112.8G73 I77 C83 I97 C99 N100 A110 C113G73-L102 WeakPolarHBondContact CA-O 3.28Å; I77-L102 HydrophobicContact CB-CD1 3.9Å; I77-L102 HydrophobicContact CD1-CD2 4.15Å; I77-L102 HydrophobicContact CG2-CD1 3.85Å; C83-L102 HydrophobicContact CB-CD1 3.9Å; C83-L102 VanDerWaalsContact SG-CD1 3.6Å; I97-L102 HydrophobicContact CD1-CD1 4.49Å; I97-L102 HydrophobicContact CD1-CD2 3.65Å; I97-L102 HydrophobicContact CD1-CG 3.98Å; C99-L102 VanDerWaalsContact O-CB 3.32Å; C99-L102 WeakPolarHBondContact O-CB 3.32Å; C99-L102 PolarHBondContact O-N 3.38Å; C99-L102 VanDerWaalsContact O-N 3.07Å; N100-L102 PolarHBondContact O-N 3.2Å; L102-A110 HydrophobicContact CD2-CB 4.13Å; L102-C113 HydrophobicContact CD2-CB 4.16Å
103L98.6Very high98.6Very high33 Ų3346.3 Ų46.317%0.17326%0.26CS..G310 helixtrans-98.17.7-178-58.6178.4000113.7T58 T61 Y72 N100 A101T58-L103 WeakPolarHBondContact O-CA 3.4Å; T61-L103 HydrophobicContact CG2-CD1 4.3Å; T61-L103 HydrophobicContact CG2-CD2 3.82Å; Y72-L103 HydrophobicContact CD1-CD1 4Å; Y72-L103 HydrophobicContact CD1-CD2 4.07Å; Y72-L103 HydrophobicContact CD1-CG 4.08Å; Y72-L103 HydrophobicContact CE1-CD1 4.41Å; N100-L103 PolarHBondContact O-N 2.86Å; A101-L103 VanDerWaalsContact C-N 3.32Å
104Q98Very high98.6Very high105 Ų10544.7 Ų44.749%0.49125%0.251SS..SBendtrans-79.3146.6-180-57-57.1-47.100110.8N100 N106N100-Q104 PolarHBondContact O-NE2 3.08Å; Q104-N106 PolarHBondContact O-N 3.45Å
105D97.8Very high98.6Very high65 Ų6545.6 Ų45.635%0.34825%0.251SS..SBendtrans-63.3-32.5174.6-67-16.2000111.7K19 Y21 T58 I107K19-D105 HydrophobicContact CB-CB 3.84Å; K19-D105 VanDerWaalsContact CB-CG 3.46Å; K19-D105 VanDerWaalsContact CB-OD1 3.23Å; K19-D105 WeakPolarHBondContact CB-OD1 3.48Å; K19-D105 HydrophobicContact CD-CB 4.2Å; K19-D105 PolarHBondContact N-OD1 3.41Å; Y21-D105 PolarHBondContact OH-O 3.13Å; T58-D105 PolarHBondContact OG1-OD1 3.25Å; D105-I107 PolarHBondContact O-N 2.8Å
106N97.4Very high98.6Very high106 Ų10648.1 Ų48.157%0.56726%0.257SS*.SBendtrans-78107.3167.4-177.1-19.5000110.3Q104 S108Q104-N106 PolarHBondContact O-N 3.45Å; N106-S108 PolarHBondContact O-N 3.37Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 VanDerWaalsContact OD1-CB 3.3Å; N106-S108 WeakPolarHBondContact OD1-CB 3.34Å; N106-S108 PolarHBondContact OD1-N 3.35Å; N106-S108 PolarHBondContact OD1-OG 2.9Å
107I98.7Very high98.6Very high4 Ų440.5 Ų40.52%0.02122%0.222CC..THydrogen-bonded Turntrans-76.58.7-175.764.2174.7000115.3Y21 L26 A29 L30 L33 T58 I74 D105 Q109 A110 V111Y21-I107 HydrophobicContact CE2-CG2 3.71Å; L26-I107 HydrophobicContact CD1-CD1 3.54Å; A29-I107 HydrophobicContact CB-CD1 4.31Å; L30-I107 HydrophobicContact CD2-CD1 3.78Å; L33-I107 HydrophobicContact CD1-CD1 4.23Å; L33-I107 HydrophobicContact CD1-CG1 3.87Å; T58-I107 HydrophobicContact CG2-CG2 3.74Å; I74-I107 HydrophobicContact CD1-CG2 4.2Å; I74-I107 HydrophobicContact CG2-CG2 4.21Å; D105-I107 PolarHBondContact O-N 2.8Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 2.95Å; I107-A110 HydrophobicContact CB-CB 4.49Å; I107-A110 PolarHBondContact O-N 3.11Å; I107-A110 VanDerWaalsContact O-N 3.16Å; I107-V111 HydrophobicContact CD1-CG2 4.3Å; I107-V111 HydrophobicContact CG1-CG2 4.32Å; I107-V111 WeakPolarHBondContact O-CG2 3.25Å; I107-V111 PolarHBondContact O-N 3.44Å
108S98.8Very high98.6Very high49 Ų4939.5 Ų39.534%0.34322%0.217SC..Hα-helixtrans-58.6-41.8-175.8-61.50000112.8N106 V111 A112N106-S108 PolarHBondContact O-N 3.37Å; N106-S108 VanDerWaalsContact O-N 3.13Å; N106-S108 VanDerWaalsContact OD1-CB 3.3Å; N106-S108 WeakPolarHBondContact OD1-CB 3.34Å; N106-S108 PolarHBondContact OD1-N 3.35Å; N106-S108 PolarHBondContact OD1-OG 2.9Å; S108-V111 PolarHBondContact O-N 3.27Å; S108-A112 WeakPolarHBondContact O-CB 3.46Å; S108-A112 PolarHBondContact O-N 2.03Å
109Q98.8Very high98.6Very high95 Ų9544.4 Ų44.444%0.44423%0.227SC..Hα-helixtrans-69.2-40176.8-69.2-65.6-18.300112A101 I107 V111 A112 C113A101-Q109 HydrophobicContact CB-CB 4.21Å; A101-Q109 HydrophobicContact CB-CG 4.34Å; I107-Q109 VanDerWaalsContact C-N 3.32Å; I107-Q109 PolarHBondContact O-N 2.95Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.16Å; Q109-A112 PolarHBondContact O-N 3.48Å; Q109-C113 PolarHBondContact O-N 3.35Å
110A98.9Very high98.6Very high3 Ų347.4 Ų47.43%0.02524%0.243CC..Hα-helixtrans-62.5-41.7174.900000111.9I74 F75 L102 I107 C113 A114I74-A110 HydrophobicContact CG2-CB 4.17Å; F75-A110 HydrophobicContact CD2-CB 4.11Å; F75-A110 HydrophobicContact CE2-CB 4.3Å; L102-A110 HydrophobicContact CD2-CB 4.13Å; I107-A110 HydrophobicContact CB-CB 4.49Å; I107-A110 PolarHBondContact O-N 3.11Å; I107-A110 VanDerWaalsContact O-N 3.16Å; A110-C113 PolarHBondContact O-N 3.24Å; A110-A114 WeakPolarHBondContact O-CB 3.35Å; A110-A114 PolarHBondContact O-N 3.45Å
111V98.9Very high98.5Very high4 Ų449.4 Ų49.42%0.02426%0.261CS..Hα-helixtrans-65.2-45.2175.2164.80000111.5L30 L33 M35 F75 I107 S108 Q109 C113 A114 K115L30-V111 HydrophobicContact CD2-CG2 3.68Å; L33-V111 HydrophobicContact CB-CG1 3.97Å; L33-V111 HydrophobicContact CD1-CB 4.23Å; L33-V111 HydrophobicContact CD1-CG1 4.49Å; L33-V111 HydrophobicContact CD1-CG2 3.77Å; M35-V111 HydrophobicContact CE-CG1 4.47Å; M35-V111 HydrophobicContact CG-CG1 3.77Å; M35-V111 HydrophobicContact CG-CG2 4.35Å; M35-V111 HydrophobicContact SD-CG1 3.61Å; F75-V111 HydrophobicContact CE2-CG2 3.94Å; F75-V111 HydrophobicContact CZ-CG2 4.22Å; I107-V111 HydrophobicContact CD1-CG2 4.3Å; I107-V111 HydrophobicContact CG1-CG2 4.32Å; I107-V111 WeakPolarHBondContact O-CG2 3.25Å; I107-V111 PolarHBondContact O-N 3.44Å; S108-V111 PolarHBondContact O-N 3.27Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-V111 PolarHBondContact O-N 3.16Å; V111-C113 VanDerWaalsContact C-N 3.3Å; V111-C113 PolarHBondContact O-N 2.88Å; V111-A114 PolarHBondContact O-N 2.04Å; V111-K115 HydrophobicContact CG1-CD 4.29Å; V111-K115 WeakPolarHBondContact O-CB 3.04Å; V111-K115 WeakPolarHBondContact O-CG 3.37Å; V111-K115 PolarHBondContact O-N 2.89Å
112A98.9Very high98.5Very high53 Ų5354.4 Ų54.444%0.43828%0.281SS..Hα-helixtrans-58.9-43.4177.200000111.7S108 Q109 K115 R116S108-A112 WeakPolarHBondContact O-CB 3.46Å; S108-A112 PolarHBondContact O-N 2.03Å; Q109-A112 PolarHBondContact O-N 3.48Å; A112-K115 WeakPolarHBondContact O-CB 3.37Å; A112-K115 PolarHBondContact O-N 3.4Å; A112-R116 PolarHBondContact O-N 2.96Å; A112-R116 VanDerWaalsContact O-N 3.09Å
113C98.9Very high98.5Very high3 Ų355.1 Ų55.12%0.0229%0.288CS..Hα-helixtrans-70.7-40.8177.6-172.40000112.4I77 C95 I97 L102 Q109 A110 V111 K115 R116 V117I77-C113 HydrophobicContact CD1-CB 3.98Å; C95-C113 HydrophobicContact CB-CB 3.78Å; C95-C113 WeakPolarHBondContact CB-SG 3.05Å; C95-C113 WeakPolarHBondContact SG-CA 3.49Å; C95-C113 WeakPolarHBondContact SG-CB 3.43Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.15Å; I97-C113 HydrophobicContact CD1-CB 4.03Å; L102-C113 HydrophobicContact CD2-CB 4.16Å; Q109-C113 PolarHBondContact O-N 3.35Å; A110-C113 PolarHBondContact O-N 3.24Å; V111-C113 VanDerWaalsContact C-N 3.3Å; V111-C113 PolarHBondContact O-N 2.88Å; C113-K115 VanDerWaalsContact C-N 3.29Å; C113-K115 PolarHBondContact O-N 2.97Å; C113-R116 CarbonylContact O-C 3.58Å; C113-R116 WeakPolarHBondContact O-CA 3.07Å; C113-R116 VanDerWaalsContact O-CB 3.31Å; C113-R116 WeakPolarHBondContact O-CB 3.5Å; C113-R116 PolarHBondContact O-N 3.34Å; C113-V117 WeakPolarHBondContact O-CG2 3.26Å; C113-V117 PolarHBondContact O-N 3.18Å
114A98.9Very high98.5Very high0 Ų054.2 Ų54.20%028%0.283CS..Hα-helixtrans-60.1-38.6173.600000112.4M35 W46 F75 I77 A110 V111 R116 V117 V118 W127M35-A114 HydrophobicContact CE-CB 4.34Å; W46-A114 HydrophobicContact CH2-CB 4.38Å; W46-A114 HydrophobicContact CZ3-CB 4.15Å; F75-A114 HydrophobicContact CD2-CB 3.76Å; F75-A114 HydrophobicContact CE2-CB 3.98Å; F75-A114 HydrophobicContact CG-CB 4.35Å; I77-A114 HydrophobicContact CD1-CB 4.33Å; A110-A114 WeakPolarHBondContact O-CB 3.35Å; A110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 2.04Å; A114-R116 VanDerWaalsContact C-N 3.31Å; A114-R116 PolarHBondContact O-N 2.94Å; A114-V117 WeakPolarHBondContact O-CB 3.23Å; A114-V117 PolarHBondContact O-N 3.23Å; A114-V118 PolarHBondContact O-N 2.81Å; A114-V118 VanDerWaalsContact O-N 3.12Å; A114-W127 HydrophobicContact CB-CH2 4.43Å; A114-W127 HydrophobicContact CB-CZ2 4.4Å
115K98.9Very high98.5Very high42 Ų4255.4 Ų55.418%0.18328%0.284CS..Hα-helixtrans-60.5-39.7171.1-76.9-177.6168-179.80111.9L33 G34 M35 Y38 V111 A112 C113 V118 R119L33-K115 PolarHBondContact O-NZ 2.99Å; G34-K115 VanDerWaalsContact O-CE 3.23Å; G34-K115 WeakPolarHBondContact O-CE 3.19Å; G34-K115 PolarHBondContact O-NZ 3.24Å; M35-K115 HydrophobicContact SD-CD 4.27Å; M35-K115 HydrophobicContact SD-CG 3.77Å; Y38-K115 HydrophobicContact CD1-CB 4.31Å; Y38-K115 HydrophobicContact CD1-CG 3.8Å; Y38-K115 HydrophobicContact CD2-CD 4.08Å; Y38-K115 HydrophobicContact CD2-CG 4.26Å; Y38-K115 HydrophobicContact CE1-CB 3.62Å; Y38-K115 HydrophobicContact CE1-CD 4.32Å; Y38-K115 HydrophobicContact CE1-CG 3.59Å; Y38-K115 HydrophobicContact CE2-CB 4.44Å; Y38-K115 HydrophobicContact CE2-CD 3.87Å; Y38-K115 HydrophobicContact CE2-CG 4.07Å; Y38-K115 HydrophobicContact CG-CD 4.4Å; Y38-K115 HydrophobicContact CG-CG 4.13Å; V111-K115 HydrophobicContact CG1-CD 4.29Å; V111-K115 WeakPolarHBondContact O-CB 3.04Å; V111-K115 WeakPolarHBondContact O-CG 3.37Å; V111-K115 PolarHBondContact O-N 2.89Å; A112-K115 WeakPolarHBondContact O-CB 3.37Å; A112-K115 PolarHBondContact O-N 3.4Å; C113-K115 VanDerWaalsContact C-N 3.29Å; C113-K115 PolarHBondContact O-N 2.97Å; K115-V118 WeakPolarHBondContact O-CG2 3.48Å; K115-R119 WeakPolarHBondContact O-CG 3.44Å
116R98.8Very high98.5Very high75 Ų7554.3 Ų54.328%0.28328%0.283SS..Hα-helixtrans-63.1-44.7172.9171.662.3-169.387.8-2.9111.5W82 A112 C113 A114 R119 D120W82-R116 HydrophobicContact CZ3-CG 4.41Å; A112-R116 PolarHBondContact O-N 2.96Å; A112-R116 VanDerWaalsContact O-N 3.09Å; C113-R116 CarbonylContact O-C 3.58Å; C113-R116 WeakPolarHBondContact O-CA 3.07Å; C113-R116 VanDerWaalsContact O-CB 3.31Å; C113-R116 WeakPolarHBondContact O-CB 3.5Å; C113-R116 PolarHBondContact O-N 3.34Å; A114-R116 VanDerWaalsContact C-N 3.31Å; A114-R116 PolarHBondContact O-N 2.94Å; R116-R119 WeakPolarHBondContact O-CB 3.32Å; R116-R119 PolarHBondContact O-N 2.97Å; R116-D120 IonicContact CZ-OD1 3.26Å; R116-D120 IonicContact NH1-OD1 3.46Å; R116-D120 PolarHBondContact NH1-OD1 3.47Å; R116-D120 IonicContact NH1-OD2 2.65Å; R116-D120 IonicContact NH2-OD1 3.35Å; R116-D120 PolarHBondContact NH2-OD1 3.27Å
117V98.8Very high98.5Very high2 Ų249.9 Ų49.91%0.01226%0.259CS..Hα-helixtrans-57.5-51.8-179.7175.90000111.2W82 C113 A114 R119 D120 A126 W127W82-V117 HydrophobicContact CD2-CG2 3.53Å; W82-V117 HydrophobicContact CE3-CG2 3.71Å; W82-V117 HydrophobicContact CG-CG2 4.04Å; W82-V117 HydrophobicContact CH2-CB 4.14Å; W82-V117 HydrophobicContact CH2-CG1 4.06Å; W82-V117 HydrophobicContact CH2-CG2 4.12Å; W82-V117 HydrophobicContact CZ2-CB 4.13Å; W82-V117 HydrophobicContact CZ2-CG1 3.69Å; W82-V117 HydrophobicContact CZ2-CG2 3.94Å; W82-V117 HydrophobicContact CZ3-CB 4.33Å; W82-V117 HydrophobicContact CZ3-CG2 4.01Å; C113-V117 WeakPolarHBondContact O-CG2 3.26Å; C113-V117 PolarHBondContact O-N 3.18Å; A114-V117 WeakPolarHBondContact O-CB 3.23Å; A114-V117 PolarHBondContact O-N 3.23Å; V117-R119 PolarHBondContact O-N 2.84Å; V117-D120 WeakPolarHBondContact O-CB 3.14Å; V117-D120 PolarHBondContact O-N 3.12Å; V117-A126 HydrophobicContact CG1-CB 3.88Å; V117-W127 HydrophobicContact CB-CH2 3.48Å; V117-W127 VanDerWaalsContact CB-CH2 3.48Å; V117-W127 HydrophobicContact CB-CZ2 4.11Å; V117-W127 HydrophobicContact CB-CZ3 4.11Å; V117-W127 HydrophobicContact CG1-CE3 4.27Å; V117-W127 HydrophobicContact CG1-CH2 3.24Å; V117-W127 HydrophobicContact CG1-CZ2 3.87Å; V117-W127 HydrophobicContact CG1-CZ3 3.43Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.43Å; V117-W127 HydrophobicContact CG2-CH2 4.11Å; V117-W127 HydrophobicContact CG2-CZ2 4.23Å
118V98.8Very high98.5Very high7 Ų756.8 Ų56.84%0.04229%0.292CS..THydrogen-bonded Turntrans-71.7-2.6-176.6-61.70000114.7Y38 K39 I41 W46 A114 K115 D120 I124 W127Y38-V118 HydrophobicContact CD1-CG2 3.74Å; Y38-V118 HydrophobicContact CE1-CG2 3.6Å; K39-V118 HydrophobicContact CG-CG2 4.38Å; I41-V118 HydrophobicContact CD1-CB 3.83Å; I41-V118 HydrophobicContact CD1-CG1 3.69Å; I41-V118 HydrophobicContact CD1-CG2 4.09Å; W46-V118 HydrophobicContact CH2-CB 4.37Å; W46-V118 HydrophobicContact CH2-CG1 3.43Å; W46-V118 VanDerWaalsContact CH2-CG1 3.43Å; W46-V118 HydrophobicContact CH2-CG2 4.05Å; W46-V118 HydrophobicContact CZ2-CG1 4.08Å; W46-V118 HydrophobicContact CZ2-CG2 4.16Å; W46-V118 HydrophobicContact CZ3-CG1 4.3Å; A114-V118 PolarHBondContact O-N 2.81Å; A114-V118 VanDerWaalsContact O-N 3.12Å; K115-V118 WeakPolarHBondContact O-CG2 3.48Å; V118-D120 VanDerWaalsContact C-N 3.31Å; V118-I124 HydrophobicContact CG1-CB 4.36Å; V118-W127 HydrophobicContact CG1-CH2 3.9Å; V118-W127 HydrophobicContact CG1-CZ3 3.5Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.5Å
119R98.5Very high98.4Very high160 Ų16055.1 Ų55.160%0.60428%0.282SS*.THydrogen-bonded Turntrans-77-20.2168.8-71.4168.260.6-1800.1112.3K115 R116 V117K115-R119 WeakPolarHBondContact O-CG 3.44Å; R116-R119 WeakPolarHBondContact O-CB 3.32Å; R116-R119 PolarHBondContact O-N 2.97Å; V117-R119 PolarHBondContact O-N 2.84Å
120D98.1Very high98.4Very high64 Ų6451.4 Ų51.434%0.34226%0.264SS..SBendtrans-72.8158.2173.9-79.313000110.8W82 R116 V117 V118 Q122 G123W82-D120 WeakPolarHBondContact CH2-OD2 3.33Å; R116-D120 IonicContact CZ-OD1 3.26Å; R116-D120 IonicContact NH1-OD1 3.46Å; R116-D120 PolarHBondContact NH1-OD1 3.47Å; R116-D120 IonicContact NH1-OD2 2.65Å; R116-D120 IonicContact NH2-OD1 3.35Å; R116-D120 PolarHBondContact NH2-OD1 3.27Å; V117-D120 WeakPolarHBondContact O-CB 3.14Å; V117-D120 PolarHBondContact O-N 3.12Å; V118-D120 VanDerWaalsContact C-N 3.31Å; D120-Q122 PolarHBondContact O-N 3.09Å; D120-G123 PolarHBondContact O-N 2.81Å
121P97.7Very high98.4Very high141 Ų14158.1 Ų58.192%0.91629%0.288SS*.THydrogen-bonded Turntrans-56.3-27.1-169.5-29.136.3000115.9G123P121-G123 VanDerWaalsContact C-N 3.25Å; P121-G123 PolarHBondContact O-N 2.98Å
122Q97.4Very high98.3Very high129 Ų12960.7 Ų60.760%0.60331%0.306SS*.THydrogen-bonded Turntrans-70.8-21.3177.1-67.3-171.4-31.200112.9D120 I124 R125 A126D120-Q122 PolarHBondContact O-N 3.09Å; Q122-I124 PolarHBondContact O-N 3.47Å; Q122-R125 VanDerWaalsContact O-CB 3.26Å; Q122-R125 WeakPolarHBondContact O-CB 3.38Å; Q122-R125 PolarHBondContact O-N 3.35Å; Q122-R125 VanDerWaalsContact O-N 3.07Å; Q122-A126 HydrophobicContact CB-CB 4.41Å
123G98.3Very high98.3Very high17 Ų1760.9 Ų60.918%0.17530%0.298CS..G310 helixtrans56.2-136.2-173.400000111.2D120 P121 R125 A126D120-G123 PolarHBondContact O-N 2.81Å; P121-G123 VanDerWaalsContact C-N 3.25Å; P121-G123 PolarHBondContact O-N 2.98Å; G123-R125 PolarHBondContact O-N 2.84Å; G123-A126 PolarHBondContact O-N 3Å
124I98.5Very high98.3Very high14 Ų1460.8 Ų60.87%0.07230%0.298CS..G310 helixtrans-68.2-11.8177.7-164.7159000113.9I41 N45 W46 V118 Q122 A126 W127 W130I41-I124 HydrophobicContact CD1-CB 3.85Å; I41-I124 HydrophobicContact CD1-CG2 4.41Å; I41-I124 HydrophobicContact CG1-CB 4.27Å; I41-I124 HydrophobicContact CG1-CG2 4.35Å; I41-I124 HydrophobicContact CG2-CD1 3.54Å; N45-I124 HydrophobicContact CB-CD1 4.03Å; W46-I124 HydrophobicContact CE3-CD1 4.36Å; V118-I124 HydrophobicContact CG1-CB 4.36Å; Q122-I124 PolarHBondContact O-N 3.47Å; I124-A126 PolarHBondContact O-N 2.99Å; I124-W127 HydrophobicContact CG1-CE3 4.28Å; I124-W127 PolarHBondContact O-N 3.16Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 HydrophobicContact CD1-CD2 4.34Å; I124-W130 HydrophobicContact CD1-CG 4.05Å; I124-W130 HydrophobicContact CG1-CB 4.39Å; I124-W130 HydrophobicContact CG1-CD2 3.89Å; I124-W130 HydrophobicContact CG1-CG 3.75Å; I124-W130 HydrophobicContact CG2-CD2 3.84Å; I124-W130 HydrophobicContact CG2-CE3 4.01Å; I124-W130 HydrophobicContact CG2-CH2 3.73Å; I124-W130 HydrophobicContact CG2-CZ2 3.53Å; I124-W130 HydrophobicContact CG2-CZ3 3.98Å
125R98.4Very high98.3Very high131 Ų13163.1 Ų63.149%0.49431%0.308SS..G310 helixtrans-71.3-7.1176-65.2176.6169.3102.2-0.3113.4Q122 G123 W127 W130 R131Q122-R125 VanDerWaalsContact O-CB 3.26Å; Q122-R125 WeakPolarHBondContact O-CB 3.38Å; Q122-R125 PolarHBondContact O-N 3.35Å; Q122-R125 VanDerWaalsContact O-N 3.07Å; G123-R125 PolarHBondContact O-N 2.84Å; R125-W127 PolarHBondContact O-N 3.21Å; R125-W130 HydrophobicContact CG-CE3 4.19Å; R125-W130 HydrophobicContact CG-CH2 4.43Å; R125-W130 HydrophobicContact CG-CZ3 3.59Å; R125-R131 HydrophobicContact CB-CG 4.34Å; R125-R131 VanDerWaalsContact O-CD 3.25Å; R125-R131 WeakPolarHBondContact O-CD 3.31Å
126A98.1Very high98.2Very high41 Ų4168.5 Ų68.534%0.33934%0.339SS..G310 helixtrans-59.5-25.517100000112.5V117 Q122 G123 I124V117-A126 HydrophobicContact CG1-CB 3.88Å; Q122-A126 HydrophobicContact CB-CB 4.41Å; G123-A126 PolarHBondContact O-N 3Å; I124-A126 PolarHBondContact O-N 2.99Å
127W98.6Very high98.2Very high14 Ų1472 Ų725%0.05335%0.353CS..  trans-93.2121.2177.1-70.7-93.4000111.8W46 L49 F75 A114 V117 V118 I124 R125 W130 R131W46-W127 HydrophobicContact CZ3-CH2 4.28Å; L49-W127 HydrophobicContact CD1-CB 3.39Å; L49-W127 HydrophobicContact CD1-CD2 4.07Å; L49-W127 HydrophobicContact CD1-CG 3.38Å; L49-W127 HydrophobicContact CD2-CD2 3.9Å; L49-W127 HydrophobicContact CD2-CE3 4.35Å; L49-W127 HydrophobicContact CD2-CG 4.11Å; L49-W127 HydrophobicContact CD2-CZ2 4.33Å; L49-W127 HydrophobicContact CG-CG 4.37Å; F75-W127 PolarHBondContact O-NE1 3.24Å; A114-W127 HydrophobicContact CB-CH2 4.43Å; A114-W127 HydrophobicContact CB-CZ2 4.4Å; V117-W127 HydrophobicContact CB-CH2 3.48Å; V117-W127 VanDerWaalsContact CB-CH2 3.48Å; V117-W127 HydrophobicContact CB-CZ2 4.11Å; V117-W127 HydrophobicContact CB-CZ3 4.11Å; V117-W127 HydrophobicContact CG1-CE3 4.27Å; V117-W127 HydrophobicContact CG1-CH2 3.24Å; V117-W127 HydrophobicContact CG1-CZ2 3.87Å; V117-W127 HydrophobicContact CG1-CZ3 3.43Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.43Å; V117-W127 HydrophobicContact CG2-CH2 4.11Å; V117-W127 HydrophobicContact CG2-CZ2 4.23Å; V118-W127 HydrophobicContact CG1-CH2 3.9Å; V118-W127 HydrophobicContact CG1-CZ3 3.5Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.5Å; I124-W127 HydrophobicContact CG1-CE3 4.28Å; I124-W127 PolarHBondContact O-N 3.16Å; R125-W127 PolarHBondContact O-N 3.21Å; W127-W130 HydrophobicContact CB-CB 4.05Å; W127-W130 PolarHBondContact O-N 2.81Å; W127-R131 PolarHBondContact O-N 3.13Å
128M97.3Very high98.2Very high148 Ų14877.7 Ų77.773%0.72938%0.383SS*.Hα-helixtrans-64.9-40.4178-169.8179.7-64.300111.5W130 R131 S132M128-W130 VanDerWaalsContact C-N 3.28Å; M128-W130 PolarHBondContact O-N 3.23Å; M128-R131 WeakPolarHBondContact O-CB 3.24Å; M128-R131 PolarHBondContact O-N 2.9Å; M128-R131 VanDerWaalsContact O-N 3.11Å; M128-S132 PolarHBondContact O-N 3.28Å; M128-S132 PolarHBondContact O-OG 3.43Å
129A96.9Very high98.2Very high14 Ų1478 Ų7812%0.11638%0.384CS..Hα-helixtrans-63.6-35.2179.400000112.1W52 E53 S132 H133W52-A129 HydrophobicContact CB-CB 4.03Å; E53-A129 VanDerWaalsContact CD-CB 3.47Å; E53-A129 HydrophobicContact CG-CB 4Å; E53-A129 WeakPolarHBondContact OE1-CB 3.27Å; A129-S132 PolarHBondContact O-N 3.28Å; A129-S132 PolarHBondContact O-OG 3.13Å; A129-H133 WeakPolarHBondContact O-CB 3.21Å; A129-H133 PolarHBondContact O-CD2 3.36Å; A129-H133 PolarHBondContact O-N 3.03Å
130W98.7Very high98.2Very high17 Ų1772.8 Ų72.86%0.06437%0.372CS..Hα-helixtrans-64.8-42.7173.7-178.389000111.8N45 L49 I124 R125 W127 M128 S132 C134 Q135N45-W130 WeakPolarHBondContact OD1-CZ2 3.31Å; N45-W130 PolarHBondContact OD1-NE1 2.94Å; L49-W130 HydrophobicContact CD1-CB 3.89Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 HydrophobicContact CD1-CD2 4.34Å; I124-W130 HydrophobicContact CD1-CG 4.05Å; I124-W130 HydrophobicContact CG1-CB 4.39Å; I124-W130 HydrophobicContact CG1-CD2 3.89Å; I124-W130 HydrophobicContact CG1-CG 3.75Å; I124-W130 HydrophobicContact CG2-CD2 3.84Å; I124-W130 HydrophobicContact CG2-CE3 4.01Å; I124-W130 HydrophobicContact CG2-CH2 3.73Å; I124-W130 HydrophobicContact CG2-CZ2 3.53Å; I124-W130 HydrophobicContact CG2-CZ3 3.98Å; R125-W130 HydrophobicContact CG-CE3 4.19Å; R125-W130 HydrophobicContact CG-CH2 4.43Å; R125-W130 HydrophobicContact CG-CZ3 3.59Å; W127-W130 HydrophobicContact CB-CB 4.05Å; W127-W130 PolarHBondContact O-N 2.81Å; M128-W130 VanDerWaalsContact C-N 3.28Å; M128-W130 PolarHBondContact O-N 3.23Å; W130-S132 VanDerWaalsContact C-N 3.35Å; W130-S132 PolarHBondContact O-N 3.05Å; W130-C134 HydrophobicContact CB-CB 4.46Å; W130-C134 HydrophobicContact CD2-CB 4.35Å; W130-C134 HydrophobicContact CG-CB 3.85Å; W130-C134 CarbonylContact O-C 3.58Å; W130-C134 WeakPolarHBondContact O-CA 3.48Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.45Å; W130-C134 PolarHBondContact O-N 3.21Å; W130-Q135 HydrophobicContact CE3-CB 4.08Å; W130-Q135 HydrophobicContact CH2-CB 3.84Å; W130-Q135 HydrophobicContact CH2-CG 3.72Å; W130-Q135 HydrophobicContact CZ2-CB 4.38Å; W130-Q135 HydrophobicContact CZ3-CB 3.64Å; W130-Q135 HydrophobicContact CZ3-CG 3.71Å; W130-Q135 PolarHBondContact O-N 3.18Å
131R98.5Very high98.2Very high144 Ų14474.9 Ų74.954%0.54338%0.38SS..Hα-helixtrans-61.8-41.2178-68.8171.458.5-167-1112.1R125 W127 M128R125-R131 HydrophobicContact CB-CG 4.34Å; R125-R131 VanDerWaalsContact O-CD 3.25Å; R125-R131 WeakPolarHBondContact O-CD 3.31Å; W127-R131 PolarHBondContact O-N 3.13Å; M128-R131 WeakPolarHBondContact O-CB 3.24Å; M128-R131 PolarHBondContact O-N 2.9Å; M128-R131 VanDerWaalsContact O-N 3.11Å
132S98.3Very high98.2Very high58 Ų5869.1 Ų69.141%0.40634%0.34SS..Hα-helixtrans-79.9-37.6-177.154.70000113.6M128 A129 W130 R137M128-S132 PolarHBondContact O-N 3.28Å; M128-S132 PolarHBondContact O-OG 3.43Å; A129-S132 PolarHBondContact O-N 3.28Å; A129-S132 PolarHBondContact O-OG 3.13Å; W130-S132 VanDerWaalsContact C-N 3.35Å; W130-S132 PolarHBondContact O-N 3.05Å; S132-R137 PolarHBondContact O-NH2 2.71Å
133H98.4Very high98.3Very high58 Ų5864.6 Ų64.627%0.26932%0.321SS..Hα-helixtrans-111.1-17.7-169.2-59.4-73.7000115.2W52 A129 R137W52-H133 HydrophobicContact CB-CB 4.23Å; W52-H133 VanDerWaalsContact CD1-CB 3.41Å; W52-H133 HydrophobicContact CD2-CB 3.55Å; W52-H133 AromaticContact CD2-CD2 3.81Å; W52-H133 AromaticContact CD2-CG 3.41Å; W52-H133 VanDerWaalsContact CD2-CG 3.41Å; W52-H133 AromaticContact CD2-ND1 3.76Å; W52-H133 AromaticContact CE2-CG 3.78Å; W52-H133 AromaticContact CE2-ND1 3.94Å; W52-H133 HydrophobicContact CE3-CB 4.29Å; W52-H133 AromaticContact CE3-CD2 3.77Å; W52-H133 AromaticContact CE3-CE1 3.75Å; W52-H133 AromaticContact CE3-CG 3.64Å; W52-H133 AromaticContact CE3-ND1 3.6Å; W52-H133 AromaticContact CE3-NE2 3.89Å; W52-H133 HydrophobicContact CG-CB 3.47Å; W52-H133 VanDerWaalsContact CG-CB 3.47Å; W52-H133 AromaticContact CG-CD2 3.91Å; W52-H133 AromaticContact CG-CG 3.7Å; W52-H133 AromaticContact CH2-ND1 3.85Å; W52-H133 HydrophobicContact CZ2-CB 4.31Å; W52-H133 AromaticContact CZ2-ND1 4Å; W52-H133 AromaticContact CZ3-CE1 3.76Å; W52-H133 AromaticContact CZ3-ND1 3.65Å; A129-H133 WeakPolarHBondContact O-CB 3.21Å; A129-H133 PolarHBondContact O-CD2 3.36Å; A129-H133 PolarHBondContact O-N 3.03Å; H133-R137 WeakPolarHBondContact O-CD 3.14Å; H133-R137 PolarHBondContact O-NE 3.28Å
134C98.7Very high98.3Very high1 Ų171.1 Ų71.11%0.00734%0.341CS..THydrogen-bonded Turntrans-118.6-39-172.1-52.50000113.3C48 W130 N136 R137 L139C48-C134 HydrophobicContact CB-CB 3.86Å; C48-C134 WeakPolarHBondContact CB-SG 3.48Å; C48-C134 WeakPolarHBondContact SG-CA 3.05Å; C48-C134 WeakPolarHBondContact SG-CB 3.44Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 2.72Å; W130-C134 HydrophobicContact CB-CB 4.46Å; W130-C134 HydrophobicContact CD2-CB 4.35Å; W130-C134 HydrophobicContact CG-CB 3.85Å; W130-C134 CarbonylContact O-C 3.58Å; W130-C134 WeakPolarHBondContact O-CA 3.48Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.45Å; W130-C134 PolarHBondContact O-N 3.21Å; C134-N136 PolarHBondContact O-N 2.99Å; C134-R137 PolarHBondContact O-N 2.98Å; C134-L139 HydrophobicContact CB-CD1 4.16Å; C134-L139 HydrophobicContact CB-CD2 4.27Å
135Q98.4Very high98.3Very high48 Ų4874.2 Ų74.222%0.22438%0.376CS..THydrogen-bonded Turntrans-58.9133.8-175.9-171.5174.4-4.600111.3W130 R137W130-Q135 HydrophobicContact CE3-CB 4.08Å; W130-Q135 HydrophobicContact CH2-CB 3.84Å; W130-Q135 HydrophobicContact CH2-CG 3.72Å; W130-Q135 HydrophobicContact CZ2-CB 4.38Å; W130-Q135 HydrophobicContact CZ3-CB 3.64Å; W130-Q135 HydrophobicContact CZ3-CG 3.71Å; W130-Q135 PolarHBondContact O-N 3.18Å; Q135-R137 PolarHBondContact O-N 3.33Å
136N98.1Very high98.3Very high156 Ų15668.5 Ų68.583%0.83436%0.356SS*.THydrogen-bonded Turntrans59.225.4178.8-53.2-25.3000114.6C134C134-N136 PolarHBondContact O-N 2.99Å
137R98.3Very high98.3Very high148 Ų14870.5 Ų70.556%0.55838%0.38SS*.SBendtrans-112.2160.4175.1-53.6-160.5-170.5-157.30.4111.9S132 H133 C134 Q135 L139S132-R137 PolarHBondContact O-NH2 2.71Å; H133-R137 WeakPolarHBondContact O-CD 3.14Å; H133-R137 PolarHBondContact O-NE 3.28Å; C134-R137 PolarHBondContact O-N 2.98Å; Q135-R137 PolarHBondContact O-N 3.33Å; R137-L139 HydrophobicContact CB-CD2 4Å; R137-L139 PolarHBondContact O-N 3.36Å
138N98.4Very high98.2Very high121 Ų12172.9 Ų72.965%0.64740%0.396SS*.  trans-75.7106168.9-176.3-20.4000109.6S140N138-S140 WeakPolarHBondContact OD1-CB 3.16Å; N138-S140 PolarHBondContact OD1-N 3.16Å; N138-S140 PolarHBondContact OD1-OG 2.88Å
139L98.7Very high98.3Very high15 Ų1569.1 Ų69.18%0.07938%0.379CS..  trans-93.89-177.1-53.1-175.8000114A44 N45 C48 C134 R137 E141 Y142A44-L139 HydrophobicContact CB-CB 3.77Å; A44-L139 WeakPolarHBondContact CB-O 3.28Å; N45-L139 HydrophobicContact CB-CD1 4.32Å; N45-L139 VanDerWaalsContact OD1-CD1 3.31Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.29Å; C48-L139 HydrophobicContact CB-CD1 4.08Å; C48-L139 HydrophobicContact CB-CD2 4.07Å; C134-L139 HydrophobicContact CB-CD1 4.16Å; C134-L139 HydrophobicContact CB-CD2 4.27Å; R137-L139 HydrophobicContact CB-CD2 4Å; R137-L139 PolarHBondContact O-N 3.36Å; L139-E141 PolarHBondContact O-N 2.86Å; L139-E141 VanDerWaalsContact O-N 3.15Å; L139-Y142 HydrophobicContact CB-CD2 3.94Å; L139-Y142 HydrophobicContact CB-CE2 4.43Å; L139-Y142 HydrophobicContact CD2-CD2 4.11Å; L139-Y142 HydrophobicContact CD2-CE2 3.74Å; L139-Y142 WeakPolarHBondContact O-CD2 3.26Å; L139-Y142 PolarHBondContact O-N 3.29Å; L139-Y142 VanDerWaalsContact O-N 3.12Å
140S98.2Very high98.3Very high49 Ų4972 Ų7234%0.34339%0.393SS..Hα-helixtrans-58.3-30.5-177.460.30000113.5N138 Y142 V143 R144N138-S140 WeakPolarHBondContact OD1-CB 3.16Å; N138-S140 PolarHBondContact OD1-N 3.16Å; N138-S140 PolarHBondContact OD1-OG 2.88Å; S140-Y142 PolarHBondContact O-N 3.18Å; S140-V143 PolarHBondContact O-N 3.46Å; S140-R144 WeakPolarHBondContact O-CB 3.46Å; S140-R144 PolarHBondContact O-N 3.47Å; S140-R144 PolarHBondContact OG-NH2 3.16Å
141E98.3Very high98.3Very high109 Ų10975.1 Ų75.151%0.50941%0.411SS..Hα-helixtrans-58.9-32.8178.467.1178.9152.800113.1R23 L139 V143 R144R23-E141 PolarHBondContact NH1-O 2.83Å; L139-E141 PolarHBondContact O-N 2.86Å; L139-E141 VanDerWaalsContact O-N 3.15Å; E141-V143 VanDerWaalsContact C-N 3.25Å; E141-V143 PolarHBondContact O-N 2.59Å; E141-R144 PolarHBondContact O-N 3.38Å
142Y98.8Very high98.3Very high20 Ų2071 Ų718%0.07840%0.404CS..Hα-helixtrans-67.6-27.8-174.5-69.5-84.3000112.5R23 M47 C48 K51 W52 L139 S140R23-Y142 WeakPolarHBondContact CD-O 3.23Å; R23-Y142 WeakPolarHBondContact CG-O 3.45Å; R23-Y142 PolarHBondContact NH1-O 2.96Å; M47-Y142 HydrophobicContact CB-CD1 4.49Å; M47-Y142 HydrophobicContact CB-CG 4.42Å; C48-Y142 HydrophobicContact CB-CD1 4.1Å; C48-Y142 HydrophobicContact CB-CD2 3.89Å; C48-Y142 HydrophobicContact CB-CE1 3.94Å; C48-Y142 HydrophobicContact CB-CE2 3.75Å; C48-Y142 HydrophobicContact CB-CG 4.09Å; C48-Y142 VanDerWaalsContact SG-CZ 3.55Å; K51-Y142 HydrophobicContact CB-CD1 4.39Å; K51-Y142 HydrophobicContact CB-CE1 3.87Å; K51-Y142 HydrophobicContact CG-CE1 4.04Å; W52-Y142 PolarHBondContact NE1-OH 3.16Å; L139-Y142 HydrophobicContact CB-CD2 3.94Å; L139-Y142 HydrophobicContact CB-CE2 4.43Å; L139-Y142 HydrophobicContact CD2-CD2 4.11Å; L139-Y142 HydrophobicContact CD2-CE2 3.74Å; L139-Y142 WeakPolarHBondContact O-CD2 3.26Å; L139-Y142 PolarHBondContact O-N 3.29Å; L139-Y142 VanDerWaalsContact O-N 3.12Å; S140-Y142 PolarHBondContact O-N 3.18Å
143V98.8Very high98.3Very high34 Ų3471.8 Ų71.821%0.20640%0.404CS..Hα-helixtrans-112.9-3.4-179.9-63.90000113.5L43 A44 M47 S140 E141 G145 C146 V148L43-V143 HydrophobicContact CB-CG1 4.42Å; L43-V143 HydrophobicContact CD2-CG1 4.09Å; L43-V143 HydrophobicContact CG-CG1 3.98Å; A44-V143 HydrophobicContact CB-CG1 4.22Å; A44-V143 HydrophobicContact CB-CG2 4.25Å; M47-V143 HydrophobicContact CG-CG1 4.12Å; S140-V143 PolarHBondContact O-N 3.46Å; E141-V143 VanDerWaalsContact C-N 3.25Å; E141-V143 PolarHBondContact O-N 2.59Å; V143-G145 PolarHBondContact O-N 3.26Å; V143-C146 VanDerWaalsContact O-CB 3.3Å; V143-C146 WeakPolarHBondContact O-CB 3.36Å; V143-C146 PolarHBondContact O-N 2.95Å; V143-C146 VanDerWaalsContact O-N 3.15Å; V143-C146 PolarHBondContact O-SG 3.25Å; V143-V148 HydrophobicContact CB-CG2 4.27Å
144R98.6Very high98.3Very high154 Ų15472.7 Ų72.758%0.58141%0.413SS*.THydrogen-bonded Turntrans-57.3131.7-177.8-163.9177.5-54.7-172.25.1112R23 S140 E141 C146R23-R144 VanDerWaalsContact CZ-O 3.31Å; R23-R144 PolarHBondContact NH1-O 3.04Å; R23-R144 PolarHBondContact NH2-O 2.59Å; S140-R144 WeakPolarHBondContact O-CB 3.46Å; S140-R144 PolarHBondContact O-N 3.47Å; S140-R144 PolarHBondContact OG-NH2 3.16Å; E141-R144 PolarHBondContact O-N 3.38Å; R144-C146 PolarHBondContact O-N 2.85Å
145G98.5Very high98.3Very high79 Ų7977.9 Ų77.981%0.81444%0.442SS*.THydrogen-bonded Turntrans70.68.2178.300000115V143V143-G145 PolarHBondContact O-N 3.26Å
146C98.6Very high98.2Very high11 Ų1180.2 Ų80.27%0.07446%0.458CS..SBendtrans-89.7-8-178.7-60.70000114.5R23 C24 A27 V143 R144 V148R23-C146 PolarHBondContact NH1-SG 3.17Å; C24-C146 WeakPolarHBondContact CA-SG 3.31Å; C24-C146 HydrophobicContact CB-CB 3.57Å; C24-C146 WeakPolarHBondContact CB-SG 3.32Å; C24-C146 WeakPolarHBondContact SG-CA 3.37Å; C24-C146 WeakPolarHBondContact SG-CB 3.18Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.29Å; A27-C146 HydrophobicContact CB-CB 4.34Å; V143-C146 VanDerWaalsContact O-CB 3.3Å; V143-C146 WeakPolarHBondContact O-CB 3.36Å; V143-C146 PolarHBondContact O-N 2.95Å; V143-C146 VanDerWaalsContact O-N 3.15Å; V143-C146 PolarHBondContact O-SG 3.25Å; R144-C146 PolarHBondContact O-N 2.85Å; C146-V148 HydrophobicContact CB-CG2 3.78Å
147G97.6Very high98.3Very high82 Ų8273.8 Ų73.885%0.84543%0.427SS*.  trans64.239.5-179.600000113.4
148V96.4Very high98.3Very high64 Ų6467.1 Ų67.139%0.38842%0.415SS..  trans-131.30-177.8-700000111.3A27 R28 K31 L43 V143 C146A27-V148 HydrophobicContact CB-CG2 4.14Å; R28-V148 HydrophobicContact CB-CG1 4.37Å; R28-V148 HydrophobicContact CG-CG1 3.5Å; K31-V148 HydrophobicContact CD-CB 3.74Å; K31-V148 HydrophobicContact CD-CG1 3.98Å; K31-V148 VanDerWaalsContact CE-OXT 3.3Å; K31-V148 WeakPolarHBondContact CE-OXT 3.36Å; K31-V148 PolarHBondContact NZ-OXT 3.46Å; L43-V148 HydrophobicContact CD2-CB 3.94Å; L43-V148 HydrophobicContact CD2-CG2 3.64Å; V143-V148 HydrophobicContact CB-CG2 4.27Å; C146-V148 HydrophobicContact CB-CG2 3.78Å

Retrieved 148 of 148 residues in 109.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).