A0A087YL25_POEFO Loading...

Diacylglycerol lipase-beta

Lipase that catalyzes the hydrolysis of arachidonic acid (AA)-esterified diacylglycerols (DAGs) to produce the principal endocannabinoid, 2-arachidonoylglycerol (2-AG) which can be further cleaved by downstream enzymes to release arachidonic acid (AA) for cyclooxygenase (COX)-mediated eicosanoid production. Preferentially hydrolyzes DAGs at the sn-1 position in a calcium-dependent manner and has negligible activity against other lipids including monoacylglycerols and phospholipids. Plays a key role in the regulation of 2-AG and AA pools utilized by COX1/2 to generate lipid mediators of macrophage and microglia inflammatory responses. Also functions as a polyunsaturated fatty acids-specific triacylglycerol lipase in macrophages. Plays an important role to support the metabolic and signaling demands of macrophages.

AlphaFold DB , UniProt , Accession A0A087YL25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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
1M59.1Low68.7Low91 Ų9181.2 Ų81.245%0.44841%0.406SS..  0142.40-60.1175.2167.700108G3 A14 I85 W219 K507M1-G3 PolarHBondContact O-N 3.13Å; M1-A14 HydrophobicContact CB-CB 4.32Å; M1-I85 HydrophobicContact CE-CB 4.18Å; M1-I85 HydrophobicContact CE-CD1 3.96Å; M1-I85 HydrophobicContact CE-CG1 3.93Å; M1-I85 HydrophobicContact CE-CG2 3.26Å; M1-I85 HydrophobicContact CG-CG2 3.62Å; M1-I85 HydrophobicContact SD-CG2 3.98Å; M1-W219 HydrophobicContact CE-CZ2 3.6Å; M1-W219 HydrophobicContact SD-CZ2 4.36Å; M1-K507 HydrophobicContact CE-CD 3.78Å; M1-K507 HydrophobicContact CE-CG 4.28Å; M1-K507 HydrophobicContact SD-CD 3.96Å
2P67.4Low68Low44 Ų4481.5 Ų81.529%0.28645%0.445SS..PPolyproline II helixtrans-65.5118.3-179.326-31.7000110.1P88P2-P88 HydrophobicContact CG-CG 4.17Å
3G69.7Low67.7Low13 Ų1380.8 Ų80.813%0.13444%0.44CS..PPolyproline II helixtrans-62.1143.9175.100000111.9M1 W11M1-G3 PolarHBondContact O-N 3.13Å; G3-W11 WeakPolarHBondContact CA-O 3.4Å
4M76.6Confident68.1Low21 Ų2175.4 Ų75.410%0.10341%0.411CS..PPolyproline II helixtrans-65.3137.9178.1-178.2174.361.900110.4A6 W11 I13 M94 P95 V98M4-A6 HydrophobicContact CE-CB 4.41Å; M4-W11 PolarHBondContact O-N 2.8Å; M4-I13 WeakPolarHBondContact CB-O 3.33Å; M4-I13 PolarHBondContact N-O 3.16Å; M4-M94 HydrophobicContact SD-CB 4.39Å; M4-M94 HydrophobicContact SD-CG 3.76Å; M4-P95 HydrophobicContact CG-CG 4.36Å; M4-V98 HydrophobicContact CE-CG2 4.27Å; M4-V98 HydrophobicContact SD-CG2 4.29Å
5V77.2Confident68.8Low82 Ų8270.9 Ų70.950%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-98.2114.4173-177.60000108.6R9 R10 P95V5-R9 WeakPolarHBondContact CA-O 3.43Å; V5-R10 HydrophobicContact CG2-CB 4.34Å; V5-P95 WeakPolarHBondContact O-CG 3.36Å
6A68.8Low69.4Low1 Ų167 Ų671%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-145.6145.8178.400000109.4M4 G8 R9 W11M4-A6 HydrophobicContact CE-CB 4.41Å; A6-G8 PolarHBondContact O-N 3.16Å; A6-R9 PolarHBondContact N-O 3.44Å; A6-R9 PolarHBondContact O-N 2.67Å; A6-R9 VanDerWaalsContact O-N 3.07Å; A6-W11 PolarHBondContact O-NE1 3.01Å
7F68.1Low69.6Low123 Ų12365.9 Ų65.954%0.53936%0.36SS..THydrogen-bonded Turntrans54.136-174.8-54.1-80.6000113.6R9 W11 Y99F7-R9 PolarHBondContact O-N 2.82Å; F7-W11 HydrophobicContact CD2-CZ2 4.17Å; F7-Y99 HydrophobicContact CD1-CD1 4.35Å; F7-Y99 AromaticContact CD1-CE1 3.64Å; F7-Y99 HydrophobicContact CD1-CE1 3.64Å; F7-Y99 HydrophobicContact CD2-CE1 4.06Å; F7-Y99 AromaticContact CE1-CD1 3.69Å; F7-Y99 HydrophobicContact CE1-CD1 3.69Å; F7-Y99 AromaticContact CE1-CE1 3.44Å; F7-Y99 HydrophobicContact CE1-CE1 3.44Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.44Å; F7-Y99 HydrophobicContact CE2-CD1 4.27Å; F7-Y99 AromaticContact CE2-CE1 3.88Å; F7-Y99 HydrophobicContact CE2-CE1 3.88Å; F7-Y99 AromaticContact CG-CE1 3.95Å; F7-Y99 HydrophobicContact CG-CE1 3.95Å; F7-Y99 AromaticContact CZ-CD1 3.65Å; F7-Y99 HydrophobicContact CZ-CD1 3.65Å; F7-Y99 AromaticContact CZ-CE1 3.57Å; F7-Y99 HydrophobicContact CZ-CE1 3.57Å; F7-Y99 PolarHBondContact N-OH 2.84Å
8G68.2Low70Confident76 Ų7664.6 Ų64.678%0.78435%0.352SS*.THydrogen-bonded Turntrans69.28.8-178.200000114.7A6A6-G8 PolarHBondContact O-N 3.16Å
9R67.9Low70.4Confident173 Ų17361.6 Ų61.665%0.65334%0.336SS*.EExtended strand (participates in β ladder)trans-122.9149.1178.6-66.1-175.3179.5-177.1-1.1111V5 A6 F7V5-R9 WeakPolarHBondContact CA-O 3.43Å; A6-R9 PolarHBondContact N-O 3.44Å; A6-R9 PolarHBondContact O-N 2.67Å; A6-R9 VanDerWaalsContact O-N 3.07Å; F7-R9 PolarHBondContact O-N 2.82Å
10R68.8Low70.5Confident177 Ų17762.7 Ų62.767%0.66834%0.338SS*.EExtended strand (participates in β ladder)trans-85.8122.8168.7179.3173.4-102.9-158.1-0.8108.8V5V5-R10 HydrophobicContact CG2-CB 4.34Å
11W64.4Low70.4Confident92 Ų9263.4 Ų63.435%0.34835%0.346SS..  trans-89.2149.6178.9-69.867.7000110.5G3 M4 A6 F7 I13G3-W11 WeakPolarHBondContact CA-O 3.4Å; M4-W11 PolarHBondContact O-N 2.8Å; A6-W11 PolarHBondContact O-NE1 3.01Å; F7-W11 HydrophobicContact CD2-CZ2 4.17Å; W11-I13 HydrophobicContact CE3-CD1 4.48Å; W11-I13 PolarHBondContact O-N 3.28Å
12G59.5Low71Confident85 Ų8559.4 Ų59.488%0.87633%0.327SS*.SBendtrans-70.1-2.9170.600000114
13I64.2Low71.5Confident72 Ų7259.6 Ų59.637%0.36933%0.33SS..SBendtrans-98.5130.8178.3-58.1171.2000108.5M4 W11 D17M4-I13 WeakPolarHBondContact CB-O 3.33Å; M4-I13 PolarHBondContact N-O 3.16Å; W11-I13 HydrophobicContact CE3-CD1 4.48Å; W11-I13 PolarHBondContact O-N 3.28Å; I13-D17 HydrophobicContact CG2-CB 3.9Å
14A73.1Confident71.6Confident5 Ų565.3 Ų65.34%0.04135%0.351CS..  trans-85.8155.1174.600000111M1 D16 D17M1-A14 HydrophobicContact CB-CB 4.32Å; A14-D16 WeakPolarHBondContact CB-OD1 3.49Å; A14-D16 PolarHBondContact O-N 3.31Å; A14-D17 WeakPolarHBondContact CB-OD2 3.36Å; A14-D17 PolarHBondContact N-OD2 3.33Å; A14-D17 WeakPolarHBondContact O-CB 3.42Å; A14-D17 PolarHBondContact O-N 3.18Å; A14-D17 VanDerWaalsContact O-N 3.09Å
15S78.6Confident71.6Confident8 Ų866 Ų666%0.05635%0.354CS..THydrogen-bonded Turntrans-65.9-22.9-177.147.80000113.9S80 R91S15-S80 WeakPolarHBondContact O-CB 3.29Å; S15-S80 PolarHBondContact O-OG 2.9Å; S15-R91 WeakPolarHBondContact OG-CD 2.97Å; S15-R91 PolarHBondContact OG-NE 3.09Å
16D78.1Confident71.9Confident9 Ų963.5 Ų63.55%0.04834%0.338CS..THydrogen-bonded Turntrans-84.8-6.9175.354.6-46.7000113.9A14 L18 S80 R91 K507A14-D16 WeakPolarHBondContact CB-OD1 3.49Å; A14-D16 PolarHBondContact O-N 3.31Å; D16-L18 PolarHBondContact O-N 3.24Å; D16-S80 WeakPolarHBondContact CA-O 3.41Å; D16-S80 WeakPolarHBondContact CA-OG 3.45Å; D16-R91 IonicContact OD1-NH2 3.78Å; D16-K507 VanDerWaalsContact OD2-CB 3.23Å; D16-K507 WeakPolarHBondContact OD2-CB 3.33Å; D16-K507 VanDerWaalsContact OD2-CD 3.25Å; D16-K507 WeakPolarHBondContact OD2-CD 3.43Å
17D74Confident72.5Confident49 Ų4968.4 Ų68.426%0.26236%0.363SS..THydrogen-bonded Turntrans-74.3-16.8175.2-66.9-29.5000112.7I13 A14 V19 P21 K507I13-D17 HydrophobicContact CG2-CB 3.9Å; A14-D17 WeakPolarHBondContact CB-OD2 3.36Å; A14-D17 PolarHBondContact N-OD2 3.33Å; A14-D17 WeakPolarHBondContact O-CB 3.42Å; A14-D17 PolarHBondContact O-N 3.18Å; A14-D17 VanDerWaalsContact O-N 3.09Å; D17-V19 VanDerWaalsContact C-N 3.29Å; D17-V19 PolarHBondContact O-N 3.49Å; D17-P21 WeakPolarHBondContact O-CD 3.34Å; D17-K507 IonicContact OD1-NZ 2.7Å; D17-K507 PolarHBondContact OD1-NZ 3Å
18L76Confident72.9Confident41 Ų4164.5 Ų64.522%0.21535%0.348CS..THydrogen-bonded Turntrans-78.6-8.9-175.3-60.7176.3000113.5D16 G22 I76 S80 M94 V98D16-L18 PolarHBondContact O-N 3.24Å; L18-G22 WeakPolarHBondContact O-CA 3.28Å; L18-G22 PolarHBondContact O-N 3.38Å; L18-I76 HydrophobicContact CB-CG2 4.04Å; L18-I76 HydrophobicContact CD1-CG2 4.12Å; L18-S80 PolarHBondContact N-OG 3.49Å; L18-M94 HydrophobicContact CD1-CG 4.14Å; L18-M94 HydrophobicContact CD1-SD 3.8Å; L18-V98 HydrophobicContact CD1-CG2 4.22Å
19V77.3Confident73.6Confident9 Ų961.5 Ų61.56%0.05531%0.313CS..Hα-helixtrans-59.3-52.6-179.4-179.10000111.8D17 S23 V77 S80 A81 Y508D17-V19 VanDerWaalsContact C-N 3.29Å; D17-V19 PolarHBondContact O-N 3.49Å; V19-S23 WeakPolarHBondContact O-CB 3.33Å; V19-S23 PolarHBondContact O-N 2.86Å; V19-S23 PolarHBondContact O-OG 3.36Å; V19-V77 HydrophobicContact CG1-CG1 4.47Å; V19-S80 VanDerWaalsContact CG2-C 3.49Å; V19-S80 VanDerWaalsContact CG2-OG 3.29Å; V19-S80 WeakPolarHBondContact CG2-OG 3.49Å; V19-S80 PolarHBondContact N-OG 3.35Å; V19-A81 HydrophobicContact CG2-CB 4.11Å; V19-Y508 HydrophobicContact CG1-CG 4.09Å
20F73.4Confident74.5Confident83 Ų8355.9 Ų55.936%0.36430%0.298SS..Hα-helixtrans-73.3-50.9-175.7-68.4-79.2000113.4G22 S23 F24 L511 L512F20-G22 VanDerWaalsContact C-N 3.29Å; F20-G22 PolarHBondContact O-N 2.86Å; F20-S23 PolarHBondContact O-N 3.08Å; F20-F24 PolarHBondContact O-N 3.41Å; F20-L511 HydrophobicContact CD2-CD1 4.18Å; F20-L511 HydrophobicContact CE2-CB 3.66Å; F20-L511 HydrophobicContact CE2-CD1 3.48Å; F20-L511 VanDerWaalsContact CE2-CD1 3.48Å; F20-L511 HydrophobicContact CE2-CG 4.2Å; F20-L511 HydrophobicContact CZ-CB 3.66Å; F20-L511 HydrophobicContact CZ-CD1 4.35Å; F20-L512 HydrophobicContact CE1-CD2 3.84Å; F20-L512 HydrophobicContact CE1-CG 4.16Å; F20-L512 HydrophobicContact CZ-CD2 4.23Å; F20-L512 HydrophobicContact CZ-CG 4.06Å
21P67.3Low75.3Confident78 Ų7852.6 Ų52.651%0.50629%0.293SS..Hα-helixtrans-59.5-41.8175.8-2234.1000111.8D17 F24 E25D17-P21 WeakPolarHBondContact O-CD 3.34Å; P21-F24 PolarHBondContact O-N 2.95Å; P21-E25 WeakPolarHBondContact O-CB 3.29Å; P21-E25 PolarHBondContact O-N 2.95Å
22G73.4Confident76.1Confident6 Ų649.9 Ų49.96%0.06228%0.283CS..Hα-helixtrans-65.2-40.1177.400000113L18 F20 L26L18-G22 WeakPolarHBondContact O-CA 3.28Å; L18-G22 PolarHBondContact O-N 3.38Å; F20-G22 VanDerWaalsContact C-N 3.29Å; F20-G22 PolarHBondContact O-N 2.86Å; G22-L26 WeakPolarHBondContact O-CB 3.5Å; G22-L26 PolarHBondContact O-N 2.91Å
23S76.1Confident77.5Confident48 Ų4849.8 Ų49.834%0.33626%0.256SS..Hα-helixtrans-67.6-40.9177.5-61.90000112.2V19 F20 L26 L27 V77V19-S23 WeakPolarHBondContact O-CB 3.33Å; V19-S23 PolarHBondContact O-N 2.86Å; V19-S23 PolarHBondContact O-OG 3.36Å; F20-S23 PolarHBondContact O-N 3.08Å; S23-L26 PolarHBondContact O-N 3.17Å; S23-L27 PolarHBondContact O-N 2.73Å; S23-V77 WeakPolarHBondContact OG-CG1 3.28Å
24F72.9Confident78.6Confident133 Ų13350 Ų5058%0.58326%0.257SS*.Hα-helixtrans-64.7-46.6175.8179.7-103.1000111.4F20 P21 L26 L27 L28F20-F24 PolarHBondContact O-N 3.41Å; P21-F24 PolarHBondContact O-N 2.95Å; F24-L26 PolarHBondContact O-N 3.4Å; F24-L27 PolarHBondContact O-N 3.43Å; F24-L28 HydrophobicContact CD1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD1 3.55Å; F24-L28 HydrophobicContact CE1-CG 4.43Å; F24-L28 HydrophobicContact CZ-CD1 3.86Å; F24-L28 HydrophobicContact CZ-CG 4.44Å; F24-L28 PolarHBondContact O-N 3.23Å
25E76.5Confident79.1Confident37 Ų3751.3 Ų51.317%0.17327%0.271CS..Hα-helixtrans-61.3-45175.2-171.3-177.2165.900111.2P21 L27 L28 R29 L73 R101P21-E25 WeakPolarHBondContact O-CB 3.29Å; P21-E25 PolarHBondContact O-N 2.95Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 2.89Å; E25-L28 PolarHBondContact O-N 3.36Å; E25-R29 HydrophobicContact CG-CG 4.15Å; E25-R29 VanDerWaalsContact O-CG 3.24Å; E25-R29 WeakPolarHBondContact O-CG 3.47Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 IonicContact OE1-NE 2.72Å; E25-R29 IonicContact OE1-NH2 2.97Å; E25-L73 HydrophobicContact CB-CD1 4.48Å; E25-L73 HydrophobicContact CG-CD1 3.88Å; E25-R101 IonicContact OE1-CZ 3.62Å; E25-R101 IonicContact OE1-NH2 3.28Å; E25-R101 PolarHBondContact OE1-NH2 3.49Å
26L83.2Confident79.3Confident28 Ų2851.2 Ų51.215%0.14727%0.27CS..Hα-helixtrans-56.2-45.1178.1-179.365000111.6G22 S23 F24 L28 R29 V30 I70 L73 W74G22-L26 WeakPolarHBondContact O-CB 3.5Å; G22-L26 PolarHBondContact O-N 2.91Å; S23-L26 PolarHBondContact O-N 3.17Å; F24-L26 PolarHBondContact O-N 3.4Å; L26-L28 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 3.16Å; L26-V30 HydrophobicContact CD1-CG2 4.24Å; L26-V30 HydrophobicContact CG-CG2 4.44Å; L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.18Å; L26-V30 PolarHBondContact O-N 3.09Å; L26-I70 HydrophobicContact CD1-CB 4.4Å; L26-I70 HydrophobicContact CD1-CG2 3.81Å; L26-L73 HydrophobicContact CD1-CB 4.08Å; L26-W74 HydrophobicContact CD1-CB 4.44Å; L26-W74 HydrophobicContact CD2-CB 4.39Å
27L80.6Confident79.8Confident104 Ų10453.6 Ų53.655%0.54528%0.283SS..Hα-helixtrans-59.4-47.8177.5-178.3146.7000111.6S23 F24 E25 R29 V30 L31S23-L27 PolarHBondContact O-N 2.73Å; F24-L27 PolarHBondContact O-N 3.43Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 2.89Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.36Å; L27-V30 PolarHBondContact O-N 3.14Å; L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 HydrophobicContact CD2-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.91Å
28L77.4Confident80.3Confident42 Ų4256.2 Ų56.222%0.2230%0.296CS..Hα-helixtrans-61.6-42.2177.5-67.2177000111.7F24 E25 L26 L31 W32 F144F24-L28 HydrophobicContact CD1-CD1 4.12Å; F24-L28 HydrophobicContact CE1-CD1 3.55Å; F24-L28 HydrophobicContact CE1-CG 4.43Å; F24-L28 HydrophobicContact CZ-CD1 3.86Å; F24-L28 HydrophobicContact CZ-CG 4.44Å; F24-L28 PolarHBondContact O-N 3.23Å; E25-L28 PolarHBondContact O-N 3.36Å; L26-L28 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 3.44Å; L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.43Å; L28-W32 PolarHBondContact O-N 2.85Å; L28-F144 HydrophobicContact CD1-CE2 3.98Å; L28-F144 HydrophobicContact CD1-CZ 4.13Å
29R83.1Confident80.3Confident13 Ų1355.2 Ų55.25%0.04929%0.291CS..Hα-helixtrans-67.9-36.7179.2-65-65.7-173.51658.1112.5E25 L26 L27 W32 W33 I70 L73 E108E25-R29 HydrophobicContact CG-CG 4.15Å; E25-R29 VanDerWaalsContact O-CG 3.24Å; E25-R29 WeakPolarHBondContact O-CG 3.47Å; E25-R29 PolarHBondContact O-N 3.02Å; E25-R29 IonicContact OE1-NE 2.72Å; E25-R29 IonicContact OE1-NH2 2.97Å; L26-R29 PolarHBondContact O-N 3.16Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.36Å; R29-W32 WeakPolarHBondContact O-CB 3.43Å; R29-W32 PolarHBondContact O-N 3.26Å; R29-W33 WeakPolarHBondContact O-CB 3.27Å; R29-W33 PolarHBondContact O-N 2.81Å; R29-I70 HydrophobicContact CB-CD1 4.42Å; R29-I70 HydrophobicContact CB-CG1 3.85Å; R29-L73 HydrophobicContact CG-CD1 3.91Å; R29-E108 IonicContact CZ-OE1 3.34Å; R29-E108 IonicContact NH1-OE1 2.94Å; R29-E108 PolarHBondContact NH1-OE1 3.31Å; R29-E108 IonicContact NH2-OE1 3.34Å; R29-E108 PolarHBondContact NH2-OE1 2.66Å; R29-E108 IonicContact NH2-OE2 3.77Å
30V87.3Confident80.6Confident55 Ų5556.1 Ų56.133%0.33329%0.294SS..Hα-helixtrans-66.6-46.9175.4168.90000110.8L26 L27 W32 W33 I34 I70L26-V30 HydrophobicContact CD1-CG2 4.24Å; L26-V30 HydrophobicContact CG-CG2 4.44Å; L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.18Å; L26-V30 PolarHBondContact O-N 3.09Å; L27-V30 PolarHBondContact O-N 3.14Å; V30-W32 PolarHBondContact O-N 2.73Å; V30-W33 PolarHBondContact O-N 2.9Å; V30-I34 HydrophobicContact CG1-CD1 3.86Å; V30-I34 HydrophobicContact CG1-CG1 4.49Å; V30-I34 VanDerWaalsContact O-CG1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.42Å; V30-I34 PolarHBondContact O-N 3.01Å; V30-I70 HydrophobicContact CG2-CD1 4.23Å; V30-I70 HydrophobicContact CG2-CG1 4.43Å; V30-I70 HydrophobicContact CG2-CG2 4.11Å
31L84.4Confident81.1Confident107 Ų10755.9 Ų55.956%0.5630%0.299SS*.Hα-helixtrans-57.4-42.1174.5-70.3174.6000111.4L27 L28 I34 G35L27-L31 HydrophobicContact CD2-CD1 3.69Å; L27-L31 HydrophobicContact CD2-CG 4.46Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.44Å; L31-I34 PolarHBondContact O-N 3.2Å; L31-G35 PolarHBondContact O-N 3.08Å
32W81.8Confident81.5Confident36 Ų3660.6 Ų60.614%0.13631%0.308CS..Hα-helixtrans-61.6-45.5176.6-171.7-97.2000113.3L28 R29 V30 G35 T36 L137 Y140 N141L28-W32 VanDerWaalsContact O-CB 3.31Å; L28-W32 WeakPolarHBondContact O-CB 3.43Å; L28-W32 PolarHBondContact O-N 2.85Å; R29-W32 WeakPolarHBondContact O-CB 3.43Å; R29-W32 PolarHBondContact O-N 3.26Å; V30-W32 PolarHBondContact O-N 2.73Å; W32-G35 PolarHBondContact O-N 3.14Å; W32-T36 PolarHBondContact O-N 3.08Å; W32-T36 PolarHBondContact O-OG1 3.28Å; W32-L137 HydrophobicContact CE3-CD2 4.22Å; W32-L137 VanDerWaalsContact CH2-CA 3.46Å; W32-L137 HydrophobicContact CH2-CB 3.43Å; W32-L137 VanDerWaalsContact CH2-CB 3.43Å; W32-L137 HydrophobicContact CH2-CD2 3.3Å; W32-L137 HydrophobicContact CH2-CG 3.94Å; W32-L137 WeakPolarHBondContact CH2-O 3.23Å; W32-L137 HydrophobicContact CZ2-CB 3.89Å; W32-L137 HydrophobicContact CZ2-CD2 4.14Å; W32-L137 HydrophobicContact CZ3-CB 4.35Å; W32-L137 HydrophobicContact CZ3-CD2 3.34Å; W32-L137 HydrophobicContact CZ3-CG 4.43Å; W32-Y140 HydrophobicContact CE3-CD1 4.11Å; W32-Y140 HydrophobicContact CE3-CE1 4.34Å; W32-Y140 HydrophobicContact CH2-CD1 4.18Å; W32-Y140 AromaticContact CZ3-CD1 3.49Å; W32-Y140 HydrophobicContact CZ3-CD1 3.49Å; W32-Y140 VanDerWaalsContact CZ3-CD1 3.49Å; W32-Y140 HydrophobicContact CZ3-CE1 4.13Å; W32-Y140 HydrophobicContact CZ3-CG 4.34Å; W32-N141 HydrophobicContact CH2-CB 4.34Å; W32-N141 HydrophobicContact CZ2-CB 4.13Å
33W89.1Confident81.4Confident82 Ų8261.2 Ų61.231%0.31131%0.31SS..Hα-helixtrans-64.9-41.7178.4-173.391.8000111.5R29 V30 T36 L37 L63 I70R29-W33 WeakPolarHBondContact O-CB 3.27Å; R29-W33 PolarHBondContact O-N 2.81Å; V30-W33 PolarHBondContact O-N 2.9Å; W33-T36 PolarHBondContact O-N 2.94Å; W33-L37 HydrophobicContact CE3-CD2 4.43Å; W33-L37 HydrophobicContact CH2-CD1 4.48Å; W33-L37 HydrophobicContact CH2-CD2 3.78Å; W33-L37 HydrophobicContact CZ3-CB 4.48Å; W33-L37 HydrophobicContact CZ3-CD2 3.63Å; W33-L37 WeakPolarHBondContact O-CB 3.26Å; W33-L37 PolarHBondContact O-N 2.81Å; W33-L63 HydrophobicContact CD2-CD2 4.32Å; W33-L63 HydrophobicContact CG-CD2 4.29Å; W33-L63 PolarHBondContact NE1-O 3.09Å; W33-L63 VanDerWaalsContact NE1-O 3.11Å; W33-I70 HydrophobicContact CB-CD1 3.62Å; W33-I70 HydrophobicContact CG-CD1 3.91Å
34I87.2Confident81Confident76 Ų7666 Ų6639%0.3932%0.324SS..Hα-helixtrans-60.4-47.6174.4-67.3166.3000110.6V30 L31 T36 L37 I38V30-I34 HydrophobicContact CG1-CD1 3.86Å; V30-I34 HydrophobicContact CG1-CG1 4.49Å; V30-I34 VanDerWaalsContact O-CG1 3.3Å; V30-I34 WeakPolarHBondContact O-CG1 3.42Å; V30-I34 PolarHBondContact O-N 3.01Å; L31-I34 PolarHBondContact O-N 3.2Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 2.89Å; I34-L37 WeakPolarHBondContact O-CB 3.38Å; I34-L37 PolarHBondContact O-N 2.96Å; I34-I38 HydrophobicContact CG2-CD1 3.77Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.33Å
35G83.2Confident80.4Confident34 Ų3462.4 Ų62.435%0.35132%0.324SS..Hα-helixtrans-59.9-41.9177.400000112.8L31 W32 I38 L39L31-G35 PolarHBondContact O-N 3.08Å; W32-G35 PolarHBondContact O-N 3.14Å; G35-I38 PolarHBondContact O-N 3.2Å; G35-L39 PolarHBondContact O-N 2.8Å
36T82.9Confident79.7Confident5 Ų567.9 Ų67.93%0.03135%0.35CS..Hα-helixtrans-66.7-37.7176.1-52.10000111.6W32 W33 I34 L39 F40 L59 L62 L63W32-T36 PolarHBondContact O-N 3.08Å; W32-T36 PolarHBondContact O-OG1 3.28Å; W33-T36 PolarHBondContact O-N 2.94Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 2.89Å; T36-L39 PolarHBondContact O-N 2.96Å; T36-F40 WeakPolarHBondContact O-CB 3.15Å; T36-F40 PolarHBondContact O-N 3.35Å; T36-L59 HydrophobicContact CG2-CD2 4.28Å; T36-L62 HydrophobicContact CG2-CD2 3.89Å; T36-L62 HydrophobicContact CG2-CG 4.3Å; T36-L63 HydrophobicContact CG2-CD2 3.84Å; T36-L63 HydrophobicContact CG2-CG 3.96Å
37L87.9Confident78.6Confident59 Ų5967.1 Ų67.131%0.30935%0.345SS..Hα-helixtrans-67-43.9177.4-176.970.3000111.5W33 I34 L39 F40 T41 L63W33-L37 HydrophobicContact CE3-CD2 4.43Å; W33-L37 HydrophobicContact CH2-CD1 4.48Å; W33-L37 HydrophobicContact CH2-CD2 3.78Å; W33-L37 HydrophobicContact CZ3-CB 4.48Å; W33-L37 HydrophobicContact CZ3-CD2 3.63Å; W33-L37 WeakPolarHBondContact O-CB 3.26Å; W33-L37 PolarHBondContact O-N 2.81Å; I34-L37 WeakPolarHBondContact O-CB 3.38Å; I34-L37 PolarHBondContact O-N 2.96Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.39Å; L37-F40 WeakPolarHBondContact O-CB 3.43Å; L37-F40 PolarHBondContact O-N 3.24Å; L37-T41 WeakPolarHBondContact O-CG2 3.29Å; L37-T41 PolarHBondContact O-N 3.49Å; L37-T41 PolarHBondContact O-OG1 2.88Å; L37-L63 HydrophobicContact CB-CD2 4.14Å; L37-L63 HydrophobicContact CD1-CD1 4.19Å
38I84.8Confident77.5Confident105 Ų10568.6 Ų68.654%0.53835%0.354SS..Hα-helixtrans-59.9-44.4175.5-68.5165.9000110.1I34 G35 F40 T41 Y42I34-I38 HydrophobicContact CG2-CD1 3.77Å; I34-I38 HydrophobicContact CG2-CG1 4.38Å; I34-I38 VanDerWaalsContact O-CG1 3.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.33Å; G35-I38 PolarHBondContact O-N 3.2Å; I38-F40 VanDerWaalsContact C-N 3.34Å; I38-F40 PolarHBondContact O-N 2.93Å; I38-T41 PolarHBondContact O-N 3.03Å; I38-T41 PolarHBondContact O-OG1 2.69Å; I38-Y42 VanDerWaalsContact O-CB 3.22Å; I38-Y42 WeakPolarHBondContact O-CB 3.42Å; I38-Y42 PolarHBondContact O-N 3.08Å
39L77.6Confident76.6Confident20 Ų2067.9 Ų67.911%0.10535%0.352CS..Hα-helixtrans-62-43.3176.2-174.472.2000111.5G35 T36 L37 H43 L59 L134G35-L39 PolarHBondContact O-N 2.8Å; T36-L39 PolarHBondContact O-N 2.96Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.39Å; L39-H43 PolarHBondContact O-CD2 3.26Å; L39-H43 PolarHBondContact O-N 2.89Å; L39-H43 VanDerWaalsContact O-N 3.16Å; L39-L59 HydrophobicContact CD2-CD2 4.23Å; L39-L134 HydrophobicContact CD2-CD1 4.18Å; L39-L134 HydrophobicContact CD2-CD2 3.65Å; L39-L134 HydrophobicContact CD2-CG 3.72Å
40F83.1Confident75.3Confident27 Ų2775.4 Ų75.412%0.11839%0.393CS..Hα-helixtrans-62.2-45177.5175.8-101.9000112.1T36 L37 I38 K44 H56 L59 V60 L63T36-F40 WeakPolarHBondContact O-CB 3.15Å; T36-F40 PolarHBondContact O-N 3.35Å; L37-F40 WeakPolarHBondContact O-CB 3.43Å; L37-F40 PolarHBondContact O-N 3.24Å; I38-F40 VanDerWaalsContact C-N 3.34Å; I38-F40 PolarHBondContact O-N 2.93Å; F40-K44 HydrophobicContact CE1-CD 4.43Å; F40-K44 WeakPolarHBondContact O-CB 3.36Å; F40-K44 PolarHBondContact O-N 3.08Å; F40-K44 VanDerWaalsContact O-N 3.07Å; F40-H56 AromaticContact CE2-CD2 3.79Å; F40-H56 AromaticContact CE2-NE2 3.55Å; F40-H56 AromaticContact CZ-NE2 3.72Å; F40-L59 HydrophobicContact CD2-CB 4.03Å; F40-L59 HydrophobicContact CD2-CD1 4.48Å; F40-V60 HydrophobicContact CD2-CG2 4.47Å; F40-V60 HydrophobicContact CE2-CG2 3.62Å; F40-V60 HydrophobicContact CZ-CG2 3.97Å; F40-L63 HydrophobicContact CB-CD1 4.02Å; F40-L63 HydrophobicContact CD1-CD1 4.23Å; F40-L63 HydrophobicContact CG-CD1 4.01Å
41T82.6Confident74.1Confident79 Ų7974.1 Ų74.149%0.48539%0.391SS..Hα-helixtrans-71.5-38.5179.954.90000112.5L37 I38 H43 K44L37-T41 WeakPolarHBondContact O-CG2 3.29Å; L37-T41 PolarHBondContact O-N 3.49Å; L37-T41 PolarHBondContact O-OG1 2.88Å; I38-T41 PolarHBondContact O-N 3.03Å; I38-T41 PolarHBondContact O-OG1 2.69Å; T41-H43 VanDerWaalsContact C-N 3.32Å; T41-H43 PolarHBondContact O-N 3.42Å; T41-K44 WeakPolarHBondContact O-CB 3.31Å; T41-K44 PolarHBondContact O-N 3.26Å
42Y77.5Confident73.1Confident176 Ų17674.9 Ų74.969%0.6939%0.386SS*.Hα-helixtrans-61.3-40.7177.3-177.9-99.7000112I38I38-Y42 VanDerWaalsContact O-CB 3.22Å; I38-Y42 WeakPolarHBondContact O-CB 3.42Å; I38-Y42 PolarHBondContact O-N 3.08Å
43H69.9Low72.3Confident20 Ų2075.5 Ų75.59%0.09340%0.404CS..Hα-helixtrans-89.7-4.7179.2-71.7-71.5000114.3L39 T41 G45 H46 F47 T130L39-H43 PolarHBondContact O-CD2 3.26Å; L39-H43 PolarHBondContact O-N 2.89Å; L39-H43 VanDerWaalsContact O-N 3.16Å; T41-H43 VanDerWaalsContact C-N 3.32Å; T41-H43 PolarHBondContact O-N 3.42Å; H43-G45 VanDerWaalsContact C-N 3.33Å; H43-G45 PolarHBondContact O-N 3.22Å; H43-H46 PolarHBondContact O-N 3.27Å; H43-F47 VanDerWaalsContact C-CE2 3.45Å; H43-F47 HydrophobicContact CB-CD1 3.88Å; H43-F47 HydrophobicContact CB-CD2 4.22Å; H43-F47 HydrophobicContact CB-CE1 3.3Å; H43-F47 HydrophobicContact CB-CE2 3.68Å; H43-F47 HydrophobicContact CB-CG 4.32Å; H43-F47 HydrophobicContact CB-CZ 3.18Å; H43-F47 AromaticContact CG-CE1 3.96Å; H43-F47 WeakPolarHBondContact O-CD2 3.21Å; H43-F47 WeakPolarHBondContact O-CE2 3.25Å; H43-T130 PolarHBondContact CE1-OG1 2.87Å; H43-T130 WeakPolarHBondContact NE2-CG2 3.32Å; H43-T130 PolarHBondContact NE2-OG1 3.35Å
44K67.7Low71.4Confident148 Ų14876.1 Ų76.164%0.64342%0.417SS*.THydrogen-bonded Turntrans-63.690.6178.2-168.3179.1-179.2-176.90110.3F40 T41F40-K44 HydrophobicContact CE1-CD 4.43Å; F40-K44 WeakPolarHBondContact O-CB 3.36Å; F40-K44 PolarHBondContact O-N 3.08Å; F40-K44 VanDerWaalsContact O-N 3.07Å; T41-K44 WeakPolarHBondContact O-CB 3.31Å; T41-K44 PolarHBondContact O-N 3.26Å
45G61.4Low70.7Confident57 Ų5772.7 Ų72.759%0.58840%0.399SS*.THydrogen-bonded Turntrans115.1-3.6-179.400000115.7H43H43-G45 VanDerWaalsContact C-N 3.33Å; H43-G45 PolarHBondContact O-N 3.22Å
46H60.9Low70.4Confident152 Ų15274.5 Ų74.570%0.70440%0.398SS*.  trans-127.829.1-178.3-7820.2000113.1H43 D48H43-H46 PolarHBondContact O-N 3.27Å; H46-D48 VanDerWaalsContact C-N 3.32Å; H46-D48 PolarHBondContact O-N 3.5Å; H46-D48 VanDerWaalsContact O-N 3.08Å
47F59.4Low70.3Confident13 Ų1378.9 Ų78.96%0.05743%0.425CS..  trans-82.770176.8-71.3-73000111.1H43 C49 R52 L55 L59H43-F47 VanDerWaalsContact C-CE2 3.45Å; H43-F47 HydrophobicContact CB-CD1 3.88Å; H43-F47 HydrophobicContact CB-CD2 4.22Å; H43-F47 HydrophobicContact CB-CE1 3.3Å; H43-F47 HydrophobicContact CB-CE2 3.68Å; H43-F47 HydrophobicContact CB-CG 4.32Å; H43-F47 HydrophobicContact CB-CZ 3.18Å; H43-F47 AromaticContact CG-CE1 3.96Å; H43-F47 WeakPolarHBondContact O-CD2 3.21Å; H43-F47 WeakPolarHBondContact O-CE2 3.25Å; F47-C49 PolarHBondContact O-N 2.95Å; F47-R52 HydrophobicContact CB-CB 4.19Å; F47-R52 HydrophobicContact CB-CG 3.76Å; F47-R52 VanDerWaalsContact O-CZ 3.27Å; F47-R52 PolarHBondContact O-NE 3.18Å; F47-R52 PolarHBondContact O-NH2 3.35Å; F47-L55 HydrophobicContact CD1-CD2 3.82Å; F47-L55 HydrophobicContact CE1-CD2 3.59Å; F47-L55 HydrophobicContact CE1-CG 4.04Å; F47-L59 HydrophobicContact CE1-CD1 4.33Å; F47-L59 HydrophobicContact CZ-CD1 4.02Å
48D57.3Low70Confident134 Ų13477.6 Ų77.672%0.71742%0.417SS*.  trans-80.650178.1-74.4-15.9000112.9H46 R52H46-D48 VanDerWaalsContact C-N 3.32Å; H46-D48 PolarHBondContact O-N 3.5Å; H46-D48 VanDerWaalsContact O-N 3.08Å; D48-R52 IonicContact OD1-NH2 3.64Å; D48-R52 PolarHBondContact OD1-NH2 3.04Å
49C60.6Low69.8Low27 Ų2772.7 Ų72.718%0.18239%0.391CS..SBendtrans-122.1150.8177.5-41.90000111.4F47 G51 R52 G125 C126F47-C49 PolarHBondContact O-N 2.95Å; C49-G51 PolarHBondContact O-N 2.82Å; C49-R52 PolarHBondContact O-N 2.66Å; C49-G125 PolarHBondContact SG-O 3.47Å; C49-C126 HydrophobicContact CB-CB 4.25Å; C49-C126 WeakPolarHBondContact CB-SG 3.33Å; C49-C126 WeakPolarHBondContact SG-CA 3.41Å; C49-C126 WeakPolarHBondContact SG-CB 3.47Å; C49-C126 CovalentContact SG-SG 2.04Å; C49-C126 PolarHBondContact SG-SG 3.29Å
50N55.5Low70.2Confident171 Ų17174.4 Ų74.491%0.91440%0.402SS*.THydrogen-bonded Turntrans-63.611.6176.7-100.3-2.2000115.4
51G60.4Low70.4Confident28 Ų2874.5 Ų74.529%0.28941%0.411SS..THydrogen-bonded Turntrans-136.121.1-179.900000114.3C49 G53 V54 L55C49-G51 PolarHBondContact O-N 2.82Å; G51-G53 VanDerWaalsContact C-N 3.3Å; G51-G53 PolarHBondContact O-N 2.65Å; G51-V54 PolarHBondContact O-N 3.08Å; G51-L55 PolarHBondContact O-N 3.23Å; G51-L55 VanDerWaalsContact O-N 3.11Å
52R63.7Low70.5Confident123 Ų12371.6 Ų71.646%0.46439%0.393SS..Hα-helixtrans-44.7-47.3-176.3175.3179.8-72.4-165.9-0.6113.9F47 D48 C49 H56F47-R52 HydrophobicContact CB-CB 4.19Å; F47-R52 HydrophobicContact CB-CG 3.76Å; F47-R52 VanDerWaalsContact O-CZ 3.27Å; F47-R52 PolarHBondContact O-NE 3.18Å; F47-R52 PolarHBondContact O-NH2 3.35Å; D48-R52 IonicContact OD1-NH2 3.64Å; D48-R52 PolarHBondContact OD1-NH2 3.04Å; C49-R52 PolarHBondContact O-N 2.66Å; R52-H56 VanDerWaalsContact O-CB 3.25Å; R52-H56 WeakPolarHBondContact O-CB 3.17Å; R52-H56 PolarHBondContact O-N 3.06Å; R52-H56 VanDerWaalsContact O-N 3.12Å
53G65.5Low71.1Confident49 Ų4964.2 Ų64.251%0.50537%0.365SS..Hα-helixtrans-67.6-38.5-17800000113.4G51 T57G51-G53 VanDerWaalsContact C-N 3.3Å; G51-G53 PolarHBondContact O-N 2.65Å; G53-T57 VanDerWaalsContact O-CB 3.29Å; G53-T57 WeakPolarHBondContact O-CB 3.44Å; G53-T57 PolarHBondContact O-N 3.32Å; G53-T57 PolarHBondContact O-OG1 3.37Å
54V70.7Confident72.1Confident95 Ų9567.3 Ų67.358%0.57639%0.385SS*.Hα-helixtrans-73.5-44.4-176.9-178.10000110.8G51 T57 Y58G51-V54 PolarHBondContact O-N 3.08Å; V54-T57 PolarHBondContact O-N 3.01Å; V54-Y58 VanDerWaalsContact O-CB 3.27Å; V54-Y58 WeakPolarHBondContact O-CB 2.94Å; V54-Y58 PolarHBondContact O-N 3.1Å
55L71.6Confident73.1Confident4 Ų461.1 Ų61.12%0.02136%0.36CS..Hα-helixtrans-66.7-41.2177.5-179.760.1000112F47 G51 Y58 L59 W118 L134F47-L55 HydrophobicContact CD1-CD2 3.82Å; F47-L55 HydrophobicContact CE1-CD2 3.59Å; F47-L55 HydrophobicContact CE1-CG 4.04Å; G51-L55 PolarHBondContact O-N 3.23Å; G51-L55 VanDerWaalsContact O-N 3.11Å; L55-Y58 HydrophobicContact CD1-CD1 4.5Å; L55-Y58 PolarHBondContact O-N 3.46Å; L55-L59 HydrophobicContact CD1-CD1 4.21Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.17Å; L55-L59 WeakPolarHBondContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.03Å; L55-W118 HydrophobicContact CB-CZ2 4.22Å; L55-W118 HydrophobicContact CD1-CH2 3.88Å; L55-W118 HydrophobicContact CD1-CZ2 3.8Å; L55-W118 HydrophobicContact CD1-CZ3 4.35Å; L55-W118 HydrophobicContact CD2-CH2 4.16Å; L55-W118 HydrophobicContact CD2-CZ2 3.95Å; L55-W118 HydrophobicContact CG-CZ2 4.21Å; L55-L134 HydrophobicContact CD1-CD1 4.36Å
56H78.3Confident74.3Confident73 Ų7358.6 Ų58.634%0.33833%0.332SS..Hα-helixtrans-62.8-45.8175.3-175.5-80.9000111.3F40 R52 Y58 L59 V60F40-H56 AromaticContact CE2-CD2 3.79Å; F40-H56 AromaticContact CE2-NE2 3.55Å; F40-H56 AromaticContact CZ-NE2 3.72Å; R52-H56 VanDerWaalsContact O-CB 3.25Å; R52-H56 WeakPolarHBondContact O-CB 3.17Å; R52-H56 PolarHBondContact O-N 3.06Å; R52-H56 VanDerWaalsContact O-N 3.12Å; H56-Y58 VanDerWaalsContact C-N 3.32Å; H56-Y58 PolarHBondContact O-N 3.09Å; H56-L59 PolarHBondContact O-N 3.39Å; H56-V60 WeakPolarHBondContact O-CB 3.05Å; H56-V60 VanDerWaalsContact O-CG2 3.27Å; H56-V60 WeakPolarHBondContact O-CG2 3.38Å; H56-V60 PolarHBondContact O-N 3.03Å
57T80.9Confident75.8Confident97 Ų9752.3 Ų52.360%0.59531%0.309SS*.Hα-helixtrans-63.5-38.6177.3-54.40000111.6G53 V54 G61G53-T57 VanDerWaalsContact O-CB 3.29Å; G53-T57 WeakPolarHBondContact O-CB 3.44Å; G53-T57 PolarHBondContact O-N 3.32Å; G53-T57 PolarHBondContact O-OG1 3.37Å; V54-T57 PolarHBondContact O-N 3.01Å; T57-G61 PolarHBondContact O-N 2.89Å
58Y80.4Confident77.4Confident32 Ų3255.8 Ų55.813%0.12533%0.328CS..Hα-helixtrans-63-50175.1176.9-101.2000112.7V54 L55 H56 V60 G61 L62 C111 L114 G115V54-Y58 VanDerWaalsContact O-CB 3.27Å; V54-Y58 WeakPolarHBondContact O-CB 2.94Å; V54-Y58 PolarHBondContact O-N 3.1Å; L55-Y58 HydrophobicContact CD1-CD1 4.5Å; L55-Y58 PolarHBondContact O-N 3.46Å; H56-Y58 VanDerWaalsContact C-N 3.32Å; H56-Y58 PolarHBondContact O-N 3.09Å; Y58-V60 PolarHBondContact O-N 3.26Å; Y58-G61 PolarHBondContact O-N 3.14Å; Y58-L62 HydrophobicContact CE1-CD2 4.2Å; Y58-L62 VanDerWaalsContact O-CB 3.32Å; Y58-L62 WeakPolarHBondContact O-CB 3.34Å; Y58-L62 PolarHBondContact O-N 2.69Å; Y58-C111 VanDerWaalsContact CE2-O 3.28Å; Y58-C111 WeakPolarHBondContact CE2-O 3.43Å; Y58-C111 PolarHBondContact OH-O 2.04Å; Y58-L114 HydrophobicContact CD2-CB 4.43Å; Y58-L114 HydrophobicContact CE2-CB 4.31Å; Y58-G115 WeakPolarHBondContact OH-CA 3.04Å
59L80.7Confident78.8Confident2 Ų249.4 Ų49.41%0.0129%0.294CS..Hα-helixtrans-64.3-40.3-179.9-72.5172.9000112.1T36 L39 F40 F47 L55 H56 L62 L63 L134T36-L59 HydrophobicContact CG2-CD2 4.28Å; L39-L59 HydrophobicContact CD2-CD2 4.23Å; F40-L59 HydrophobicContact CD2-CB 4.03Å; F40-L59 HydrophobicContact CD2-CD1 4.48Å; F47-L59 HydrophobicContact CE1-CD1 4.33Å; F47-L59 HydrophobicContact CZ-CD1 4.02Å; L55-L59 HydrophobicContact CD1-CD1 4.21Å; L55-L59 HydrophobicContact CD1-CG 4.18Å; L55-L59 HydrophobicContact CG-CD1 4.17Å; L55-L59 WeakPolarHBondContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.03Å; H56-L59 PolarHBondContact O-N 3.39Å; L59-L62 PolarHBondContact O-N 2.98Å; L59-L63 WeakPolarHBondContact O-CG 3.3Å; L59-L63 PolarHBondContact O-N 3.47Å; L59-L134 HydrophobicContact CD2-CD2 4.32Å
60V86.9Confident80.3Confident55 Ų5549.6 Ų49.633%0.33329%0.292SS..Hα-helixtrans-63.4-47.3174.1172.60000110.6F40 H56 Y58 L62 L63 V64F40-V60 HydrophobicContact CD2-CG2 4.47Å; F40-V60 HydrophobicContact CE2-CG2 3.62Å; F40-V60 HydrophobicContact CZ-CG2 3.97Å; H56-V60 WeakPolarHBondContact O-CB 3.05Å; H56-V60 VanDerWaalsContact O-CG2 3.27Å; H56-V60 WeakPolarHBondContact O-CG2 3.38Å; H56-V60 PolarHBondContact O-N 3.03Å; Y58-V60 PolarHBondContact O-N 3.26Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 2.65Å; V60-L63 PolarHBondContact O-N 3.05Å; V60-V64 WeakPolarHBondContact O-CG2 3.19Å; V60-V64 PolarHBondContact O-N 3.14Å
61G86.7Confident82.1Confident29 Ų2946.8 Ų46.830%0.29928%0.277SS..Hα-helixtrans-59.2-42.4176.200000112.7T57 Y58 V64 V65T57-G61 PolarHBondContact O-N 2.89Å; Y58-G61 PolarHBondContact O-N 3.14Å; G61-V64 PolarHBondContact O-N 2.73Å; G61-V65 WeakPolarHBondContact O-CG2 3.42Å; G61-V65 PolarHBondContact O-N 3.24Å
62L84.3Confident83.5Confident19 Ų1945.7 Ų45.710%0.09927%0.265CS..Hα-helixtrans-63.2-45.2177.2-176.861.9000111.8T36 Y58 L59 V60 V64 V65 L66T36-L62 HydrophobicContact CG2-CD2 3.89Å; T36-L62 HydrophobicContact CG2-CG 4.3Å; Y58-L62 HydrophobicContact CE1-CD2 4.2Å; Y58-L62 VanDerWaalsContact O-CB 3.32Å; Y58-L62 WeakPolarHBondContact O-CB 3.34Å; Y58-L62 PolarHBondContact O-N 2.69Å; L59-L62 PolarHBondContact O-N 2.98Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 2.65Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.98Å; L62-V65 PolarHBondContact O-N 2.86Å; L62-L66 HydrophobicContact CD1-CD1 3.96Å; L62-L66 HydrophobicContact CD1-CG 4.15Å; L62-L66 HydrophobicContact CG-CD1 3.79Å; L62-L66 HydrophobicContact CG-CG 4.43Å; L62-L66 VanDerWaalsContact O-CB 3.27Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CD1 3.43Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 2.94Å
63L89.6Confident84.6Confident20 Ų2040 Ų4011%0.10524%0.244CC..Hα-helixtrans-62-39.7176.5-77.1170.5000112.5W33 T36 L37 F40 L59 V60 G67W33-L63 HydrophobicContact CD2-CD2 4.32Å; W33-L63 HydrophobicContact CG-CD2 4.29Å; W33-L63 PolarHBondContact NE1-O 3.09Å; W33-L63 VanDerWaalsContact NE1-O 3.11Å; T36-L63 HydrophobicContact CG2-CD2 3.84Å; T36-L63 HydrophobicContact CG2-CG 3.96Å; L37-L63 HydrophobicContact CB-CD2 4.14Å; L37-L63 HydrophobicContact CD1-CD1 4.19Å; F40-L63 HydrophobicContact CB-CD1 4.02Å; F40-L63 HydrophobicContact CD1-CD1 4.23Å; F40-L63 HydrophobicContact CG-CD1 4.01Å; L59-L63 WeakPolarHBondContact O-CG 3.3Å; L59-L63 PolarHBondContact O-N 3.47Å; V60-L63 PolarHBondContact O-N 3.05Å; L63-G67 PolarHBondContact O-N 2.91Å
64V91.9Very high85.9Confident85 Ų8544.7 Ų44.752%0.51525%0.246SC..Hα-helixtrans-66.6-49.5177.2171.70000110.8V60 G61 L62 L66 G67 L68V60-V64 WeakPolarHBondContact O-CG2 3.19Å; V60-V64 PolarHBondContact O-N 3.14Å; G61-V64 PolarHBondContact O-N 2.73Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.98Å; V64-L66 PolarHBondContact O-N 2.95Å; V64-G67 PolarHBondContact O-N 3.11Å; V64-L68 HydrophobicContact CG1-CD1 4.32Å; V64-L68 WeakPolarHBondContact O-CG 2.99Å; V64-L68 PolarHBondContact O-N 2.9Å
65V88.9Confident86.9Confident19 Ų1941.3 Ų41.312%0.11523%0.228CC..Hα-helixtrans-62.3-45.1179.9170.50000111G61 L62 G67 L68 I69 P107 E108G61-V65 WeakPolarHBondContact O-CG2 3.42Å; G61-V65 PolarHBondContact O-N 3.24Å; L62-V65 PolarHBondContact O-N 2.86Å; V65-G67 VanDerWaalsContact C-N 3.35Å; V65-G67 PolarHBondContact O-N 3.19Å; V65-L68 PolarHBondContact O-N 2.89Å; V65-I69 HydrophobicContact CG1-CD1 3.92Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.06Å; V65-I69 PolarHBondContact O-N 2.82Å; V65-P107 HydrophobicContact CG2-CB 4.24Å; V65-E108 HydrophobicContact CG1-CB 4.39Å
66L87.4Confident87.6Confident3 Ų341.7 Ų41.72%0.01623%0.23CC..Hα-helixtrans-62.9-39.8175.6-72.9167.2000112.3L62 V64 I69 I70L62-L66 HydrophobicContact CD1-CD1 3.96Å; L62-L66 HydrophobicContact CD1-CG 4.15Å; L62-L66 HydrophobicContact CG-CD1 3.79Å; L62-L66 HydrophobicContact CG-CG 4.43Å; L62-L66 VanDerWaalsContact O-CB 3.27Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CD1 3.43Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 2.94Å; V64-L66 PolarHBondContact O-N 2.95Å; L66-I69 PolarHBondContact O-N 3.46Å; L66-I70 WeakPolarHBondContact O-CB 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.28Å; L66-I70 PolarHBondContact O-N 3.24Å
67G92.2Very high88Confident20 Ų2039.1 Ų39.121%0.20622%0.219CC..Hα-helixtrans-60.6-45.5175.400000112.3L63 V64 V65 I69 I70 L71L63-G67 PolarHBondContact O-N 2.91Å; V64-G67 PolarHBondContact O-N 3.11Å; V65-G67 VanDerWaalsContact C-N 3.35Å; V65-G67 PolarHBondContact O-N 3.19Å; G67-I69 VanDerWaalsContact C-N 3.32Å; G67-I69 PolarHBondContact O-N 2.82Å; G67-I70 PolarHBondContact O-N 3.37Å; G67-L71 WeakPolarHBondContact O-CG 3.33Å; G67-L71 PolarHBondContact O-N 3.19Å
68L92.1Very high88.4Confident87 Ų8740.6 Ų40.646%0.45522%0.215SC..Hα-helixtrans-62.2-39.5175.2-68.5174.3000112.1V64 V65 L71 S72 L104V64-L68 HydrophobicContact CG1-CD1 4.32Å; V64-L68 WeakPolarHBondContact O-CG 2.99Å; V64-L68 PolarHBondContact O-N 2.9Å; V65-L68 PolarHBondContact O-N 2.89Å; L68-L71 PolarHBondContact O-N 3.25Å; L68-S72 WeakPolarHBondContact O-CB 3.35Å; L68-S72 PolarHBondContact O-N 3.24Å; L68-L104 HydrophobicContact CB-CD2 4.27Å
69I87.3Confident88.8Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-63.3-48.3175.3-70168.2000110.9V65 L66 G67 L71 S72 L73 L104 E108V65-I69 HydrophobicContact CG1-CD1 3.92Å; V65-I69 VanDerWaalsContact O-CG1 3.26Å; V65-I69 WeakPolarHBondContact O-CG1 3.06Å; V65-I69 PolarHBondContact O-N 2.82Å; L66-I69 PolarHBondContact O-N 3.46Å; G67-I69 VanDerWaalsContact C-N 3.32Å; G67-I69 PolarHBondContact O-N 2.82Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.09Å; I69-S72 PolarHBondContact O-N 3.26Å; I69-S72 PolarHBondContact O-OG 3.01Å; I69-L73 HydrophobicContact CG2-CD1 3.8Å; I69-L73 HydrophobicContact CG2-CG 4.33Å; I69-L73 WeakPolarHBondContact O-CB 3.19Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.11Å; I69-L104 HydrophobicContact CG1-CB 4.44Å; I69-E108 HydrophobicContact CD1-CB 4.03Å; I69-E108 HydrophobicContact CD1-CG 4.02Å; I69-E108 WeakPolarHBondContact CD1-OE2 3.39Å
70I91.3Very high89Confident30 Ų3039.8 Ų39.815%0.15421%0.213CC..Hα-helixtrans-58.4-45.5177.9-72.6166.2000110.6L26 R29 V30 W33 L66 G67 S72 L73 W74L26-I70 HydrophobicContact CD1-CB 4.4Å; L26-I70 HydrophobicContact CD1-CG2 3.81Å; R29-I70 HydrophobicContact CB-CD1 4.42Å; R29-I70 HydrophobicContact CB-CG1 3.85Å; V30-I70 HydrophobicContact CG2-CD1 4.23Å; V30-I70 HydrophobicContact CG2-CG1 4.43Å; V30-I70 HydrophobicContact CG2-CG2 4.11Å; W33-I70 HydrophobicContact CB-CD1 3.62Å; W33-I70 HydrophobicContact CG-CD1 3.91Å; L66-I70 WeakPolarHBondContact O-CB 3.47Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.28Å; L66-I70 PolarHBondContact O-N 3.24Å; G67-I70 PolarHBondContact O-N 3.37Å; I70-S72 PolarHBondContact O-N 3.42Å; I70-L73 PolarHBondContact O-N 3.31Å; I70-W74 VanDerWaalsContact O-CB 3.31Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 3.16Å
71L93.8Very high88.9Confident112 Ų11238.2 Ų38.259%0.58621%0.206SC*.Hα-helixtrans-61-43.6176.5-71.8171000111.9G67 L68 I69 W74 A75G67-L71 WeakPolarHBondContact O-CG 3.33Å; G67-L71 PolarHBondContact O-N 3.19Å; L68-L71 PolarHBondContact O-N 3.25Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 3.09Å; L71-W74 PolarHBondContact O-N 3.49Å; L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.99Å
72S90.3Very high88.7Confident6 Ų640 Ų404%0.04221%0.207CC..Hα-helixtrans-65-40.9177.276.40000112.6L68 I69 I70 A75 I76L68-S72 WeakPolarHBondContact O-CB 3.35Å; L68-S72 PolarHBondContact O-N 3.24Å; I69-S72 PolarHBondContact O-N 3.26Å; I69-S72 PolarHBondContact O-OG 3.01Å; I70-S72 PolarHBondContact O-N 3.42Å; S72-A75 PolarHBondContact O-N 3.49Å; S72-I76 WeakPolarHBondContact O-CG1 3.34Å; S72-I76 PolarHBondContact O-N 3.42Å
73L86Confident88.4Confident4 Ų440.6 Ų40.62%0.02122%0.217CC..Hα-helixtrans-68.3-41.8177.7-77.2172.2000111.4E25 L26 R29 I69 I70 A75 I76 V77E25-L73 HydrophobicContact CB-CD1 4.48Å; E25-L73 HydrophobicContact CG-CD1 3.88Å; L26-L73 HydrophobicContact CD1-CB 4.08Å; R29-L73 HydrophobicContact CG-CD1 3.91Å; I69-L73 HydrophobicContact CG2-CD1 3.8Å; I69-L73 HydrophobicContact CG2-CG 4.33Å; I69-L73 WeakPolarHBondContact O-CB 3.19Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.11Å; I70-L73 PolarHBondContact O-N 3.31Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.41Å; L73-I76 PolarHBondContact O-N 3.05Å; L73-V77 WeakPolarHBondContact O-CG2 3.24Å; L73-V77 PolarHBondContact O-N 3.37Å
74W92.9Very high87.7Confident147 Ų14741 Ų4156%0.55722%0.221SC*.Hα-helixtrans-59.3-44.3173.6179.782.1000111.1L26 I70 L71 I76 V77 Y78L26-W74 HydrophobicContact CD1-CB 4.44Å; L26-W74 HydrophobicContact CD2-CB 4.39Å; I70-W74 VanDerWaalsContact O-CB 3.31Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 3.16Å; L71-W74 PolarHBondContact O-N 3.49Å; W74-I76 PolarHBondContact O-N 3.45Å; W74-V77 PolarHBondContact O-N 3.26Å; W74-Y78 WeakPolarHBondContact O-CB 3.33Å; W74-Y78 PolarHBondContact O-N 3.34Å
75A91.7Very high86.7Confident23 Ų2337 Ų3719%0.1920%0.196CC..Hα-helixtrans-62.8-41.217500000112.5L71 S72 L73 Y78 V79 L97L71-A75 WeakPolarHBondContact O-CB 3.32Å; L71-A75 PolarHBondContact O-N 2.99Å; S72-A75 PolarHBondContact O-N 3.49Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.41Å; A75-Y78 PolarHBondContact O-N 2.9Å; A75-V79 WeakPolarHBondContact O-CB 3.36Å; A75-V79 WeakPolarHBondContact O-CG2 3.45Å; A75-V79 PolarHBondContact O-N 3.4Å; A75-L97 HydrophobicContact CB-CD1 4.41Å; A75-L97 HydrophobicContact CB-CD2 4.03Å
76I86.5Confident85.7Confident12 Ų1239 Ų396%0.06221%0.208CC..Hα-helixtrans-60.3-51174.5-72.5166.5000110.4L18 S72 L73 W74 Y78 S80 M94 L97 R101L18-I76 HydrophobicContact CB-CG2 4.04Å; L18-I76 HydrophobicContact CD1-CG2 4.12Å; S72-I76 WeakPolarHBondContact O-CG1 3.34Å; S72-I76 PolarHBondContact O-N 3.42Å; L73-I76 PolarHBondContact O-N 3.05Å; W74-I76 PolarHBondContact O-N 3.45Å; I76-Y78 PolarHBondContact O-N 3.05Å; I76-S80 WeakPolarHBondContact O-CA 3.33Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 2.92Å; I76-M94 HydrophobicContact CG2-SD 4.16Å; I76-L97 HydrophobicContact CG1-CB 3.79Å; I76-L97 HydrophobicContact CG1-CD1 4.45Å; I76-R101 HydrophobicContact CD1-CB 3.96Å; I76-R101 HydrophobicContact CD1-CG 4.24Å
77V86.6Confident84.9Confident19 Ų1943.5 Ų43.512%0.11523%0.232CC..Hα-helixtrans-60.8-46.2179.4172.20000110.7V19 S23 L73 W74 S80 A81V19-V77 HydrophobicContact CG1-CG1 4.47Å; S23-V77 WeakPolarHBondContact OG-CG1 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.24Å; L73-V77 PolarHBondContact O-N 3.37Å; W74-V77 PolarHBondContact O-N 3.26Å; V77-S80 PolarHBondContact O-N 3.39Å; V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 2.9Å
78Y89.5Confident83.8Confident128 Ų12845 Ų4550%0.50224%0.239SC..Hα-helixtrans-61.7-51-178.9179.8-104000112W74 A75 I76 A81 Q82W74-Y78 WeakPolarHBondContact O-CB 3.33Å; W74-Y78 PolarHBondContact O-N 3.34Å; A75-Y78 PolarHBondContact O-N 2.9Å; I76-Y78 PolarHBondContact O-N 3.05Å; Y78-A81 PolarHBondContact O-N 3.25Å; Y78-Q82 VanDerWaalsContact CZ-NE2 3.28Å; Y78-Q82 WeakPolarHBondContact O-CG 3.33Å; Y78-Q82 PolarHBondContact OH-NE2 3.29Å
79V88.4Confident83Confident17 Ų1743.1 Ų43.110%0.10324%0.24CC..Hα-helixtrans-68.5-36.4178.5176.60000110.9A75 A81 Q82 R91 S93 M94 L97A75-V79 WeakPolarHBondContact O-CB 3.36Å; A75-V79 WeakPolarHBondContact O-CG2 3.45Å; A75-V79 PolarHBondContact O-N 3.4Å; V79-A81 PolarHBondContact O-N 3.27Å; V79-Q82 WeakPolarHBondContact O-CB 3.43Å; V79-Q82 PolarHBondContact O-N 3.44Å; V79-Q82 VanDerWaalsContact O-N 3.1Å; V79-R91 WeakPolarHBondContact O-CG 3.45Å; V79-S93 WeakPolarHBondContact CG1-OG 3.25Å; V79-M94 HydrophobicContact CB-CE 3.95Å; V79-M94 HydrophobicContact CG1-CE 3.82Å; V79-L97 HydrophobicContact CB-CD1 3.96Å; V79-L97 HydrophobicContact CG1-CD1 4.38Å; V79-L97 HydrophobicContact CG2-CD1 3.81Å
80S84.6Confident82.5Confident1 Ų145.2 Ų45.21%0.00726%0.258CS..Hα-helixtrans-63.8-32.8178.1-173.20000111.5S15 D16 L18 V19 I76 V77 Q82 M94S15-S80 WeakPolarHBondContact O-CB 3.29Å; S15-S80 PolarHBondContact O-OG 2.9Å; D16-S80 WeakPolarHBondContact CA-O 3.41Å; D16-S80 WeakPolarHBondContact CA-OG 3.45Å; L18-S80 PolarHBondContact N-OG 3.49Å; V19-S80 VanDerWaalsContact CG2-C 3.49Å; V19-S80 VanDerWaalsContact CG2-OG 3.29Å; V19-S80 WeakPolarHBondContact CG2-OG 3.49Å; V19-S80 PolarHBondContact N-OG 3.35Å; I76-S80 WeakPolarHBondContact O-CA 3.33Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 2.92Å; V77-S80 PolarHBondContact O-N 3.39Å; S80-Q82 VanDerWaalsContact C-N 3.26Å; S80-Q82 PolarHBondContact O-N 3.47Å; S80-M94 VanDerWaalsContact CB-CE 3.5Å
81A84.7Confident82Confident22 Ų2244.1 Ų44.118%0.18225%0.252CS..THydrogen-bonded Turntrans-74.1-11176.600000114V19 V77 Y78 V79 P506 Y508V19-A81 HydrophobicContact CG2-CB 4.11Å; V77-A81 WeakPolarHBondContact O-CB 3.49Å; V77-A81 PolarHBondContact O-N 2.9Å; Y78-A81 PolarHBondContact O-N 3.25Å; V79-A81 PolarHBondContact O-N 3.27Å; A81-P506 WeakPolarHBondContact O-CB 3.23Å; A81-Y508 HydrophobicContact CB-CD1 3.9Å; A81-Y508 HydrophobicContact CB-CE1 3.69Å; A81-Y508 VanDerWaalsContact O-CE1 3.29Å; A81-Y508 WeakPolarHBondContact O-CE1 3.32Å
82Q83.3Confident81.6Confident67 Ų6749.5 Ų49.531%0.31326%0.264SS..SBendtrans-87.2157.6-177.6-67.2-177.10.900113.8Y78 V79 S80 A90 R91Y78-Q82 VanDerWaalsContact CZ-NE2 3.28Å; Y78-Q82 WeakPolarHBondContact O-CG 3.33Å; Y78-Q82 PolarHBondContact OH-NE2 3.29Å; V79-Q82 WeakPolarHBondContact O-CB 3.43Å; V79-Q82 PolarHBondContact O-N 3.44Å; V79-Q82 VanDerWaalsContact O-N 3.1Å; S80-Q82 VanDerWaalsContact C-N 3.26Å; S80-Q82 PolarHBondContact O-N 3.47Å; Q82-A90 HydrophobicContact CB-CB 3.89Å; Q82-R91 WeakPolarHBondContact O-CD 3.36Å; Q82-R91 VanDerWaalsContact O-CG 3.32Å; Q82-R91 WeakPolarHBondContact O-CG 3.49Å; Q82-R91 PolarHBondContact O-NH1 3.11Å
83G78.3Confident81.3Confident30 Ų3051.9 Ų51.931%0.30928%0.281SS..SBendtrans79.9-166.5175.300000113.6P506G83-P506 WeakPolarHBondContact O-CB 3.24Å
84T74.4Confident81.3Confident30 Ų3051.7 Ų51.718%0.18428%0.28CS..  trans-114.2172.6-178.771.30000110.5T86 N87 R91 N504T84-T86 VanDerWaalsContact C-N 3.27Å; T84-T86 PolarHBondContact O-N 2.88Å; T84-N87 WeakPolarHBondContact OG1-CB 3.1Å; T84-N87 PolarHBondContact OG1-N 2.61Å; T84-N87 VanDerWaalsContact OG1-N 3.17Å; T84-R91 VanDerWaalsContact O-CZ 3.29Å; T84-R91 PolarHBondContact O-NH1 3.33Å; T84-R91 PolarHBondContact O-NH2 3.08Å; T84-N504 WeakPolarHBondContact CG2-O 3.25Å
85I71.6Confident80.8Confident1 Ų146.2 Ų46.21%0.00526%0.263CS..SBendtrans-58.5-39.7179.9-68.5174.1000112.1M1 V500 K507 I510M1-I85 HydrophobicContact CE-CB 4.18Å; M1-I85 HydrophobicContact CE-CD1 3.96Å; M1-I85 HydrophobicContact CE-CG1 3.93Å; M1-I85 HydrophobicContact CE-CG2 3.26Å; M1-I85 HydrophobicContact CG-CG2 3.62Å; M1-I85 HydrophobicContact SD-CG2 3.98Å; I85-V500 HydrophobicContact CG2-CG1 3.68Å; I85-K507 HydrophobicContact CG1-CB 4.28Å; I85-I510 HydrophobicContact CD1-CD1 3.9Å
86T66.8Low80.6Confident59 Ų5948.1 Ų48.136%0.36228%0.279SS..SBendtrans-99.4-20.4-172.648.20000113.9T84 P88 V500T84-T86 VanDerWaalsContact C-N 3.27Å; T84-T86 PolarHBondContact O-N 2.88Å; T86-P88 VanDerWaalsContact O-CD 3.26Å; T86-P88 WeakPolarHBondContact O-CD 3.33Å; T86-V500 HydrophobicContact CG2-CG1 3.85Å; T86-V500 WeakPolarHBondContact CG2-O 3.31Å
87N71.3Confident80.5Confident98 Ų9848.8 Ų48.852%0.52428%0.283SS..  trans-108.398.4177.8-170.1-10.4000111.6T84 G89T84-N87 WeakPolarHBondContact OG1-CB 3.1Å; T84-N87 PolarHBondContact OG1-N 2.61Å; T84-N87 VanDerWaalsContact OG1-N 3.17Å; N87-G89 PolarHBondContact O-N 3.41Å; N87-G89 PolarHBondContact OD1-N 3.16Å
88P67.9Low80.2Confident52 Ų5249.5 Ų49.534%0.33829%0.287SS..  trans-806.8177.934.6-36.7000113.4P2 T86 A90 R91 R92P2-P88 HydrophobicContact CG-CG 4.17Å; T86-P88 VanDerWaalsContact O-CD 3.26Å; T86-P88 WeakPolarHBondContact O-CD 3.33Å; P88-A90 VanDerWaalsContact C-N 3.31Å; P88-A90 PolarHBondContact O-N 3.12Å; P88-R91 CarbonylContact O-C 3.45Å; P88-R91 WeakPolarHBondContact O-CA 3.26Å; P88-R91 WeakPolarHBondContact O-CB 3.34Å; P88-R91 PolarHBondContact O-N 3.19Å; P88-R92 PolarHBondContact O-N 3.27Å
89G75.8Confident79.8Confident47 Ų4748 Ų4849%0.48528%0.281SS..G310 helixtrans-53.9-43.1-174.400000113.8N87 R91 R92N87-G89 PolarHBondContact O-N 3.41Å; N87-G89 PolarHBondContact OD1-N 3.16Å; G89-R91 PolarHBondContact O-N 3.4Å; G89-R92 WeakPolarHBondContact O-CB 3.45Å; G89-R92 PolarHBondContact O-N 2.9Å
90A77.1Confident79.6Confident45 Ų4551.4 Ų51.437%0.37230%0.298SS..G310 helixtrans-67.7-16.8175.700000113.6Q82 P88Q82-A90 HydrophobicContact CB-CB 3.89Å; P88-A90 VanDerWaalsContact C-N 3.31Å; P88-A90 PolarHBondContact O-N 3.12Å
91R81.3Confident79.5Confident7 Ų751.9 Ų51.93%0.02630%0.3CS..G310 helixtrans-103.715.1-178.1-54.5-169.7-70.9-862.9112.9S15 D16 V79 Q82 T84 P88 G89 S93 M94S15-R91 WeakPolarHBondContact OG-CD 2.97Å; S15-R91 PolarHBondContact OG-NE 3.09Å; D16-R91 IonicContact OD1-NH2 3.78Å; V79-R91 WeakPolarHBondContact O-CG 3.45Å; Q82-R91 WeakPolarHBondContact O-CD 3.36Å; Q82-R91 VanDerWaalsContact O-CG 3.32Å; Q82-R91 WeakPolarHBondContact O-CG 3.49Å; Q82-R91 PolarHBondContact O-NH1 3.11Å; T84-R91 VanDerWaalsContact O-CZ 3.29Å; T84-R91 PolarHBondContact O-NH1 3.33Å; T84-R91 PolarHBondContact O-NH2 3.08Å; P88-R91 CarbonylContact O-C 3.45Å; P88-R91 WeakPolarHBondContact O-CA 3.26Å; P88-R91 WeakPolarHBondContact O-CB 3.34Å; P88-R91 PolarHBondContact O-N 3.19Å; G89-R91 PolarHBondContact O-N 3.4Å; R91-S93 PolarHBondContact O-N 3.37Å; R91-M94 WeakPolarHBondContact O-CB 3.34Å; R91-M94 PolarHBondContact O-N 3.12Å
92R83.8Confident79.2Confident224 Ų22452.9 Ų52.985%0.84531%0.308SS*.THydrogen-bonded Turntrans-61.1-28.7-176.6-173177.6-179.8-178.70.7113.4P88 G89 M94 P95P88-R92 PolarHBondContact O-N 3.27Å; G89-R92 WeakPolarHBondContact O-CB 3.45Å; G89-R92 PolarHBondContact O-N 2.9Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 2.87Å; R92-P95 WeakPolarHBondContact O-CD 3.47Å
93S85.9Confident79.1Confident56 Ų5654.9 Ų54.939%0.39232%0.32SS..THydrogen-bonded Turntrans-78.8-6176.952.40000113.9V79 R91 A96 L97V79-S93 WeakPolarHBondContact CG1-OG 3.25Å; R91-S93 PolarHBondContact O-N 3.37Å; S93-A96 WeakPolarHBondContact O-CB 3.5Å; S93-A96 PolarHBondContact O-N 2.82Å; S93-A96 VanDerWaalsContact O-N 3.12Å; S93-L97 PolarHBondContact O-N 3.21Å; S93-L97 VanDerWaalsContact O-N 3.12Å
94M85.4Confident79.3Confident0 Ų054.3 Ų54.30%031%0.31CS..Hα-helixtrans-57.4-45.6-175.7-168.459.166.200113.9M4 L18 I76 V79 S80 R91 R92 A96 L97 V98M4-M94 HydrophobicContact SD-CB 4.39Å; M4-M94 HydrophobicContact SD-CG 3.76Å; L18-M94 HydrophobicContact CD1-CG 4.14Å; L18-M94 HydrophobicContact CD1-SD 3.8Å; I76-M94 HydrophobicContact CG2-SD 4.16Å; V79-M94 HydrophobicContact CB-CE 3.95Å; V79-M94 HydrophobicContact CG1-CE 3.82Å; S80-M94 VanDerWaalsContact CB-CE 3.5Å; R91-M94 WeakPolarHBondContact O-CB 3.34Å; R91-M94 PolarHBondContact O-N 3.12Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 2.87Å; M94-A96 VanDerWaalsContact C-N 3.27Å; M94-A96 PolarHBondContact O-N 2.8Å; M94-L97 PolarHBondContact O-N 2.74Å; M94-L97 VanDerWaalsContact O-N 3.17Å; M94-V98 HydrophobicContact CG-CG2 4.41Å; M94-V98 WeakPolarHBondContact O-CG2 3.5Å; M94-V98 PolarHBondContact O-N 3.21Å
95P82.4Confident79.3Confident33 Ų3357.5 Ų57.521%0.21432%0.319CS..Hα-helixtrans-59.8-37.5177.7-24.336.1000112.7M4 V5 R92 V98 Y99M4-P95 HydrophobicContact CG-CG 4.36Å; V5-P95 WeakPolarHBondContact O-CG 3.36Å; R92-P95 WeakPolarHBondContact O-CD 3.47Å; P95-V98 PolarHBondContact O-N 2.88Å; P95-Y99 HydrophobicContact CB-CE2 4.3Å; P95-Y99 WeakPolarHBondContact O-CD2 3.34Å; P95-Y99 VanDerWaalsContact O-CG 3.28Å; P95-Y99 PolarHBondContact O-N 3.02Å
96A86.1Confident79.6Confident63 Ų6362.8 Ų62.852%0.52135%0.346SS..Hα-helixtrans-65.7-40.8177.400000112S93 M94 Y99 L100S93-A96 WeakPolarHBondContact O-CB 3.5Å; S93-A96 PolarHBondContact O-N 2.82Å; S93-A96 VanDerWaalsContact O-N 3.12Å; M94-A96 VanDerWaalsContact C-N 3.27Å; M94-A96 PolarHBondContact O-N 2.8Å; A96-Y99 PolarHBondContact O-N 2.91Å; A96-L100 WeakPolarHBondContact O-CB 3.42Å; A96-L100 PolarHBondContact O-N 3.05Å
97L85.3Confident80.3Confident26 Ų2662.2 Ų62.214%0.13634%0.344CS..Hα-helixtrans-65.6-38.4175.2-68.8173.7000112.2A75 I76 V79 S93 M94 L100 R101A75-L97 HydrophobicContact CB-CD1 4.41Å; A75-L97 HydrophobicContact CB-CD2 4.03Å; I76-L97 HydrophobicContact CG1-CB 3.79Å; I76-L97 HydrophobicContact CG1-CD1 4.45Å; V79-L97 HydrophobicContact CB-CD1 3.96Å; V79-L97 HydrophobicContact CG1-CD1 4.38Å; V79-L97 HydrophobicContact CG2-CD1 3.81Å; S93-L97 PolarHBondContact O-N 3.21Å; S93-L97 VanDerWaalsContact O-N 3.12Å; M94-L97 PolarHBondContact O-N 2.74Å; M94-L97 VanDerWaalsContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 2.84Å; L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 3.27Å
98V80.7Confident80.7Confident34 Ų3457.9 Ų57.921%0.20632%0.32CS..Hα-helixtrans-64.4-41174.7172.90000111M4 L18 M94 P95 R101 A102M4-V98 HydrophobicContact CE-CG2 4.27Å; M4-V98 HydrophobicContact SD-CG2 4.29Å; L18-V98 HydrophobicContact CD1-CG2 4.22Å; M94-V98 HydrophobicContact CG-CG2 4.41Å; M94-V98 WeakPolarHBondContact O-CG2 3.5Å; M94-V98 PolarHBondContact O-N 3.21Å; P95-V98 PolarHBondContact O-N 2.88Å; V98-R101 PolarHBondContact O-N 3.47Å; V98-A102 WeakPolarHBondContact O-CB 3.37Å; V98-A102 PolarHBondContact O-N 2.88Å
99Y80.7Confident80.9Confident97 Ų9761.7 Ų61.738%0.3833%0.332SS..Hα-helixtrans-66.5-40.6174.1-62.2-44.6000112.8F7 P95 A96 R101 A102 L103F7-Y99 HydrophobicContact CD1-CD1 4.35Å; F7-Y99 AromaticContact CD1-CE1 3.64Å; F7-Y99 HydrophobicContact CD1-CE1 3.64Å; F7-Y99 HydrophobicContact CD2-CE1 4.06Å; F7-Y99 AromaticContact CE1-CD1 3.69Å; F7-Y99 HydrophobicContact CE1-CD1 3.69Å; F7-Y99 AromaticContact CE1-CE1 3.44Å; F7-Y99 HydrophobicContact CE1-CE1 3.44Å; F7-Y99 VanDerWaalsContact CE1-CE1 3.44Å; F7-Y99 HydrophobicContact CE2-CD1 4.27Å; F7-Y99 AromaticContact CE2-CE1 3.88Å; F7-Y99 HydrophobicContact CE2-CE1 3.88Å; F7-Y99 AromaticContact CG-CE1 3.95Å; F7-Y99 HydrophobicContact CG-CE1 3.95Å; F7-Y99 AromaticContact CZ-CD1 3.65Å; F7-Y99 HydrophobicContact CZ-CD1 3.65Å; F7-Y99 AromaticContact CZ-CE1 3.57Å; F7-Y99 HydrophobicContact CZ-CE1 3.57Å; F7-Y99 PolarHBondContact N-OH 2.84Å; P95-Y99 HydrophobicContact CB-CE2 4.3Å; P95-Y99 WeakPolarHBondContact O-CD2 3.34Å; P95-Y99 VanDerWaalsContact O-CG 3.28Å; P95-Y99 PolarHBondContact O-N 3.02Å; A96-Y99 PolarHBondContact O-N 2.91Å; Y99-R101 VanDerWaalsContact C-N 3.31Å; Y99-R101 PolarHBondContact O-N 2.84Å; Y99-A102 WeakPolarHBondContact O-CB 3.26Å; Y99-A102 PolarHBondContact O-N 3.39Å; Y99-L103 PolarHBondContact O-N 2.83Å
100L85.3Confident81Confident87 Ų8762.8 Ų62.846%0.45533%0.329SS..Hα-helixtrans-59.7-44.1174.6179.864.9000110.8A96 L97 A102 L103 L104A96-L100 WeakPolarHBondContact O-CB 3.42Å; A96-L100 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 2.84Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.99Å; L100-L103 PolarHBondContact O-N 3.06Å; L100-L104 HydrophobicContact CG-CD1 4.41Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.23Å
101R82.3Confident80.9Confident12 Ų1261.6 Ų61.65%0.04532%0.317CS..Hα-helixtrans-62.2-41.9174.6-175.669-179.9116.9-3.7111.6E25 I76 L97 V98 Y99 L103 L104 Y105 E108E25-R101 IonicContact OE1-CZ 3.62Å; E25-R101 IonicContact OE1-NH2 3.28Å; E25-R101 PolarHBondContact OE1-NH2 3.49Å; I76-R101 HydrophobicContact CD1-CB 3.96Å; I76-R101 HydrophobicContact CD1-CG 4.24Å; L97-R101 WeakPolarHBondContact O-CB 3.38Å; L97-R101 PolarHBondContact O-N 3.27Å; V98-R101 PolarHBondContact O-N 3.47Å; Y99-R101 VanDerWaalsContact C-N 3.31Å; Y99-R101 PolarHBondContact O-N 2.84Å; R101-L103 VanDerWaalsContact C-N 3.29Å; R101-L103 PolarHBondContact O-N 2.97Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-Y105 HydrophobicContact CG-CE2 4.31Å; R101-Y105 WeakPolarHBondContact O-CD2 3.16Å; R101-Y105 PolarHBondContact O-N 3Å; R101-E108 IonicContact NH1-OE2 2.9Å; R101-E108 IonicContact NH2-OE2 2.77Å
102A77.8Confident80.4Confident42 Ų4261.4 Ų61.435%0.34732%0.318SS..Hα-helixtrans-58-42.5176.200000111.8V98 Y99 L100 Y105V98-A102 WeakPolarHBondContact O-CB 3.37Å; V98-A102 PolarHBondContact O-N 2.88Å; Y99-A102 WeakPolarHBondContact O-CB 3.26Å; Y99-A102 PolarHBondContact O-N 3.39Å; L100-A102 VanDerWaalsContact C-N 3.34Å; L100-A102 PolarHBondContact O-N 2.99Å; A102-Y105 WeakPolarHBondContact O-CB 3.49Å; A102-Y105 PolarHBondContact O-N 3.43Å
103L81.6Confident79.7Confident109 Ų10953.3 Ų53.357%0.57129%0.294SS*.Hα-helixtrans-68-37.6177.3-173142.5000112.4Y99 L100 R101 Y105 I106 P107Y99-L103 PolarHBondContact O-N 2.83Å; L100-L103 PolarHBondContact O-N 3.06Å; R101-L103 VanDerWaalsContact C-N 3.29Å; R101-L103 PolarHBondContact O-N 2.97Å; L103-Y105 PolarHBondContact O-N 3.38Å; L103-I106 WeakPolarHBondContact O-CB 3.35Å; L103-I106 PolarHBondContact O-N 3.36Å; L103-I106 VanDerWaalsContact O-N 3.15Å; L103-P107 VanDerWaalsContact O-CD 3.26Å; L103-P107 WeakPolarHBondContact O-CD 3.32Å
104L82.2Confident79.2Confident19 Ų1955.4 Ų55.410%0.09930%0.301CS..Hα-helixtrans-67.1-14176.7-71.9172.6000114L68 I69 L100 R101 I106 P107 E108L68-L104 HydrophobicContact CB-CD2 4.27Å; I69-L104 HydrophobicContact CG1-CB 4.44Å; L100-L104 HydrophobicContact CG-CD1 4.41Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.23Å; R101-L104 PolarHBondContact O-N 2.93Å; L104-I106 VanDerWaalsContact C-N 3.27Å; L104-I106 PolarHBondContact O-N 3.34Å; L104-P107 HydrophobicContact CD2-CG 4.48Å; L104-P107 WeakPolarHBondContact O-CD 3.4Å; L104-P107 WeakPolarHBondContact O-CG 3.32Å; L104-E108 WeakPolarHBondContact O-CB 3.19Å; L104-E108 PolarHBondContact O-N 3.46Å
105Y74.6Confident78.3Confident97 Ų9755.4 Ų55.438%0.3830%0.301SS..Hα-helixtrans-67.5-26.7170.6-80.2-63.1000113.1R101 A102 L103 E108 F109R101-Y105 HydrophobicContact CG-CE2 4.31Å; R101-Y105 WeakPolarHBondContact O-CD2 3.16Å; R101-Y105 PolarHBondContact O-N 3Å; A102-Y105 WeakPolarHBondContact O-CB 3.49Å; A102-Y105 PolarHBondContact O-N 3.43Å; L103-Y105 PolarHBondContact O-N 3.38Å; Y105-E108 WeakPolarHBondContact CD1-OE2 3.41Å; Y105-E108 PolarHBondContact O-N 3.3Å; Y105-F109 VanDerWaalsContact O-CB 3.29Å; Y105-F109 WeakPolarHBondContact O-CB 3.2Å; Y105-F109 PolarHBondContact O-N 3.47Å
106I77.8Confident77.6Confident112 Ų11256 Ų5657%0.57431%0.308SS*.Hα-helixtrans-64.9-56.3180-55.3176.1000111.3L103 L104 E108 F109 V110L103-I106 WeakPolarHBondContact O-CB 3.35Å; L103-I106 PolarHBondContact O-N 3.36Å; L103-I106 VanDerWaalsContact O-N 3.15Å; L104-I106 VanDerWaalsContact C-N 3.27Å; L104-I106 PolarHBondContact O-N 3.34Å; I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.15Å; I106-F109 WeakPolarHBondContact O-CB 3.39Å; I106-F109 PolarHBondContact O-N 3.26Å; I106-V110 WeakPolarHBondContact O-CG2 3.43Å; I106-V110 PolarHBondContact O-N 2.86Å
107P81.6Confident76.6Confident47 Ų4757.1 Ų57.131%0.30531%0.309SS..Hα-helixtrans-64.6-30.9176.925.5-34.4000112.5V65 L103 L104 V110 C111V65-P107 HydrophobicContact CG2-CB 4.24Å; L103-P107 VanDerWaalsContact O-CD 3.26Å; L103-P107 WeakPolarHBondContact O-CD 3.32Å; L104-P107 HydrophobicContact CD2-CG 4.48Å; L104-P107 WeakPolarHBondContact O-CD 3.4Å; L104-P107 WeakPolarHBondContact O-CG 3.32Å; P107-V110 PolarHBondContact O-N 2.82Å; P107-C111 WeakPolarHBondContact O-CB 3.29Å; P107-C111 PolarHBondContact O-N 3.48Å; P107-C111 PolarHBondContact O-SG 3.14Å
108E78.6Confident75.7Confident7 Ų758.1 Ų58.13%0.03331%0.311CS..Hα-helixtrans-62-43.5173.2-173.5178.617800112R29 V65 I69 R101 L104 Y105 I106 A112 R145R29-E108 IonicContact CZ-OE1 3.34Å; R29-E108 IonicContact NH1-OE1 2.94Å; R29-E108 PolarHBondContact NH1-OE1 3.31Å; R29-E108 IonicContact NH2-OE1 3.34Å; R29-E108 PolarHBondContact NH2-OE1 2.66Å; R29-E108 IonicContact NH2-OE2 3.77Å; V65-E108 HydrophobicContact CG1-CB 4.39Å; I69-E108 HydrophobicContact CD1-CB 4.03Å; I69-E108 HydrophobicContact CD1-CG 4.02Å; I69-E108 WeakPolarHBondContact CD1-OE2 3.39Å; R101-E108 IonicContact NH1-OE2 2.9Å; R101-E108 IonicContact NH2-OE2 2.77Å; L104-E108 WeakPolarHBondContact O-CB 3.19Å; L104-E108 PolarHBondContact O-N 3.46Å; Y105-E108 WeakPolarHBondContact CD1-OE2 3.41Å; Y105-E108 PolarHBondContact O-N 3.3Å; I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.15Å; E108-A112 WeakPolarHBondContact O-CB 3.23Å; E108-A112 PolarHBondContact O-N 3.12Å; E108-A112 VanDerWaalsContact O-N 3.08Å; E108-R145 PolarHBondContact O-NH1 3.18Å; E108-R145 IonicContact OE1-NH1 3.11Å
109F72.8Confident74.9Confident131 Ų13158.6 Ų58.658%0.57531%0.314SS*.Hα-helixtrans-66.1-44.6175.8179.9-99000111.5Y105 I106 C111 A112 C113Y105-F109 VanDerWaalsContact O-CB 3.29Å; Y105-F109 WeakPolarHBondContact O-CB 3.2Å; Y105-F109 PolarHBondContact O-N 3.47Å; I106-F109 WeakPolarHBondContact O-CB 3.39Å; I106-F109 PolarHBondContact O-N 3.26Å; F109-C111 PolarHBondContact O-N 3.29Å; F109-A112 WeakPolarHBondContact O-CA 3.43Å; F109-A112 VanDerWaalsContact O-CB 3.25Å; F109-A112 WeakPolarHBondContact O-CB 3.23Å; F109-A112 PolarHBondContact O-N 2.96Å; F109-A112 VanDerWaalsContact O-N 3.08Å; F109-C113 PolarHBondContact O-N 3.46Å; F109-C113 PolarHBondContact O-SG 3.16Å
110V78.2Confident73.7Confident71 Ų7158.4 Ų58.443%0.4333%0.326SS..Hα-helixtrans-60.7-46.2176.7173.10000111.2I106 P107 A112 C113 L114I106-V110 WeakPolarHBondContact O-CG2 3.43Å; I106-V110 PolarHBondContact O-N 2.86Å; P107-V110 PolarHBondContact O-N 2.82Å; V110-A112 PolarHBondContact O-N 3.04Å; V110-C113 PolarHBondContact O-N 2.74Å; V110-L114 HydrophobicContact CG1-CD1 3.97Å; V110-L114 HydrophobicContact CG1-CG 4.39Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.04Å
111C75.6Confident72.5Confident19 Ų1961 Ų6113%0.12834%0.341CS..Hα-helixtrans-60.9-31.9175.3-69.30000112.4Y58 P107 F109 G115Y58-C111 VanDerWaalsContact CE2-O 3.28Å; Y58-C111 WeakPolarHBondContact CE2-O 3.43Å; Y58-C111 PolarHBondContact OH-O 2.04Å; P107-C111 WeakPolarHBondContact O-CB 3.29Å; P107-C111 PolarHBondContact O-N 3.48Å; P107-C111 PolarHBondContact O-SG 3.14Å; F109-C111 PolarHBondContact O-N 3.29Å; C111-G115 PolarHBondContact O-N 3.4Å
112A70.8Confident71.1Confident4 Ų462.4 Ų62.43%0.03336%0.359CS..Hα-helixtrans-69.7-45.2175.700000113E108 F109 V110 G115 A116 R145E108-A112 WeakPolarHBondContact O-CB 3.23Å; E108-A112 PolarHBondContact O-N 3.12Å; E108-A112 VanDerWaalsContact O-N 3.08Å; F109-A112 WeakPolarHBondContact O-CA 3.43Å; F109-A112 VanDerWaalsContact O-CB 3.25Å; F109-A112 WeakPolarHBondContact O-CB 3.23Å; F109-A112 PolarHBondContact O-N 2.96Å; F109-A112 VanDerWaalsContact O-N 3.08Å; V110-A112 PolarHBondContact O-N 3.04Å; A112-G115 PolarHBondContact O-N 3.33Å; A112-A116 PolarHBondContact O-N 3.02Å; A112-R145 VanDerWaalsContact CB-CZ 3.48Å
113C69.3Low69.9Low53 Ų5362.7 Ų62.736%0.35836%0.359SS..Hα-helixtrans-62.1-44.9176.3-67.30000111F109 V110 G115 A116 V117F109-C113 PolarHBondContact O-N 3.46Å; F109-C113 PolarHBondContact O-SG 3.16Å; V110-C113 PolarHBondContact O-N 2.74Å; C113-G115 VanDerWaalsContact C-N 3.32Å; C113-G115 PolarHBondContact O-N 3.43Å; C113-A116 PolarHBondContact O-N 3.44Å; C113-V117 WeakPolarHBondContact O-CG2 3.33Å; C113-V117 PolarHBondContact O-N 3.2Å
114L73.6Confident68.5Low100 Ų10068 Ų6852%0.52437%0.371SS..Hα-helixtrans-61-40.1176.1-68.8173.3000112.1Y58 V110 W118Y58-L114 HydrophobicContact CD2-CB 4.43Å; Y58-L114 HydrophobicContact CE2-CB 4.31Å; V110-L114 HydrophobicContact CG1-CD1 3.97Å; V110-L114 HydrophobicContact CG1-CG 4.39Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.04Å; L114-W118 WeakPolarHBondContact O-CB 3.29Å; L114-W118 PolarHBondContact O-N 3.24Å
115G68.2Low67.2Low0 Ų069.8 Ų69.80%039%0.394CS..Hα-helixtrans-63.6-42.8174.300000112.9Y58 C111 A112 C113 W118 V119Y58-G115 WeakPolarHBondContact OH-CA 3.04Å; C111-G115 PolarHBondContact O-N 3.4Å; A112-G115 PolarHBondContact O-N 3.33Å; C113-G115 VanDerWaalsContact C-N 3.32Å; C113-G115 PolarHBondContact O-N 3.43Å; G115-W118 PolarHBondContact O-N 3.48Å; G115-V119 WeakPolarHBondContact O-CG2 3.27Å; G115-V119 PolarHBondContact O-N 3.04Å
116A66.3Low66.6Low45 Ų4566.4 Ų66.437%0.37239%0.385SS..Hα-helixtrans-66.8-41.617800000112.6A112 C113 V119 S120A112-A116 PolarHBondContact O-N 3.02Å; C113-A116 PolarHBondContact O-N 3.44Å; A116-V119 PolarHBondContact O-N 3.44Å; A116-S120 WeakPolarHBondContact O-CB 3.4Å; A116-S120 PolarHBondContact O-N 3.04Å
117V66.2Low65.9Low88 Ų8865.7 Ų65.753%0.53338%0.382SS..Hα-helixtrans-62-45.1174.7171.30000110.4C113 V119 S120 D121C113-V117 WeakPolarHBondContact O-CG2 3.33Å; C113-V117 PolarHBondContact O-N 3.2Å; V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 PolarHBondContact O-N 3.02Å; V117-S120 PolarHBondContact O-N 3.14Å; V117-D121 PolarHBondContact O-N 2.9Å
118W66Low64.8Low46 Ų4667.6 Ų67.617%0.17439%0.394CS..Hα-helixtrans-61.3-39.1177.7-175.981.5000113L55 L114 G115 S120 L134L55-W118 HydrophobicContact CB-CZ2 4.22Å; L55-W118 HydrophobicContact CD1-CH2 3.88Å; L55-W118 HydrophobicContact CD1-CZ2 3.8Å; L55-W118 HydrophobicContact CD1-CZ3 4.35Å; L55-W118 HydrophobicContact CD2-CH2 4.16Å; L55-W118 HydrophobicContact CD2-CZ2 3.95Å; L55-W118 HydrophobicContact CG-CZ2 4.21Å; L114-W118 WeakPolarHBondContact O-CB 3.29Å; L114-W118 PolarHBondContact O-N 3.24Å; G115-W118 PolarHBondContact O-N 3.48Å; W118-S120 VanDerWaalsContact C-N 3.32Å; W118-L134 HydrophobicContact CH2-CD1 4.3Å; W118-L134 HydrophobicContact CZ3-CD1 4.35Å
119V62.9Low63.9Low44 Ų4469.9 Ų69.927%0.26741%0.414SS..Hα-helixtrans-65-36.5173.6166.10000111.8G115 A116 V117 I135 I138G115-V119 WeakPolarHBondContact O-CG2 3.27Å; G115-V119 PolarHBondContact O-N 3.04Å; A116-V119 PolarHBondContact O-N 3.44Å; V117-V119 VanDerWaalsContact C-N 3.32Å; V117-V119 PolarHBondContact O-N 3.02Å; V119-I135 HydrophobicContact CB-CG1 4.37Å; V119-I135 HydrophobicContact CG1-CD1 3.92Å; V119-I135 HydrophobicContact CG1-CG1 3.68Å; V119-I135 HydrophobicContact CG2-CG1 3.76Å; V119-I138 HydrophobicContact CG2-CD1 3.53Å
120S57.1Low63.3Low93 Ų9364.7 Ų64.765%0.6539%0.393SS*.Hα-helixtrans-76.6-30.2-176.9-170.90000113.7A116 V117 W118 G122A116-S120 WeakPolarHBondContact O-CB 3.4Å; A116-S120 PolarHBondContact O-N 3.04Å; V117-S120 PolarHBondContact O-N 3.14Å; W118-S120 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.11Å
121D58.8Low62.5Low142 Ų14261.7 Ų61.776%0.75938%0.375SS*.THydrogen-bonded Turntrans-83.111.5-171.5-124.67.2000114.5V117V117-D121 PolarHBondContact O-N 2.9Å
122G54Low61.7Low41 Ų4165.3 Ų65.342%0.42339%0.393SS..  trans78.5105.9174.600000112.1S120 R124S120-G122 PolarHBondContact O-N 3.11Å; G122-R124 PolarHBondContact O-N 3.1Å
123S52.8Low61.3Low49 Ų4969.7 Ų69.734%0.34342%0.415SS..  trans-63.248.3168.943.30000113.6G125 C126S123-G125 PolarHBondContact O-N 3.32Å; S123-C126 PolarHBondContact O-N 3.07Å
124R51.2Low60.8Low219 Ų21967.6 Ų67.683%0.82640%0.4SS*.THydrogen-bonded Turntrans-64.2102.9-178-70.4-175.2177.2179.80.9109.3G122G122-R124 PolarHBondContact O-N 3.1Å
125G55.5Low60.2Low57 Ų5764.9 Ų64.959%0.58839%0.386SS*.THydrogen-bonded Turntrans1098.9174.400000116.7C49 S123C49-G125 PolarHBondContact SG-O 3.47Å; S123-G125 PolarHBondContact O-N 3.32Å
126C61.1Low59.8Low27 Ų2766.9 Ų66.918%0.18241%0.406CS..SBendtrans-104.7152.5173-740000113.2C49 S123 V131C49-C126 HydrophobicContact CB-CB 4.25Å; C49-C126 WeakPolarHBondContact CB-SG 3.33Å; C49-C126 WeakPolarHBondContact SG-CA 3.41Å; C49-C126 WeakPolarHBondContact SG-CB 3.47Å; C49-C126 CovalentContact SG-SG 2.04Å; C49-C126 PolarHBondContact SG-SG 3.29Å; S123-C126 PolarHBondContact O-N 3.07Å; C126-V131 HydrophobicContact CB-CG2 3.62Å
127D62.3Low59.6Low97 Ų9767 Ų6752%0.51940%0.401SS..  trans-57127174.118062.1000111.2A129 T130 V131D127-A129 PolarHBondContact O-N 3.34Å; D127-A129 VanDerWaalsContact OD2-CB 3.26Å; D127-A129 WeakPolarHBondContact OD2-CB 3.09Å; D127-A129 PolarHBondContact OD2-N 3.08Å; D127-A129 VanDerWaalsContact OD2-N 3.17Å; D127-T130 PolarHBondContact O-N 3.49Å; D127-V131 WeakPolarHBondContact O-CG2 3.48Å; D127-V131 PolarHBondContact O-N 3.26Å
128P59.8Low59.5Low87 Ų8763.8 Ų63.857%0.56538%0.38SS*.Hα-helixtrans-59.1-28.6-176.2-25.333.7000114.4N132P128-N132 VanDerWaalsContact O-CB 3.32Å; P128-N132 WeakPolarHBondContact O-CB 3.44Å; P128-N132 PolarHBondContact O-N 3.28Å; P128-N132 PolarHBondContact O-ND2 3.07Å; P128-N132 VanDerWaalsContact O-ND2 3.15Å
129A59Low59.3Low55 Ų5564.6 Ų64.646%0.45539%0.387SS..Hα-helixtrans-71.7-44.2-179.700000111.3D127 V131 N132 I133D127-A129 PolarHBondContact O-N 3.34Å; D127-A129 VanDerWaalsContact OD2-CB 3.26Å; D127-A129 WeakPolarHBondContact OD2-CB 3.09Å; D127-A129 PolarHBondContact OD2-N 3.08Å; D127-A129 VanDerWaalsContact OD2-N 3.17Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.46Å; A129-N132 PolarHBondContact O-N 2.97Å; A129-I133 VanDerWaalsContact O-CG1 3.31Å; A129-I133 WeakPolarHBondContact O-CG1 3.23Å; A129-I133 PolarHBondContact O-N 3.49Å
130T60.7Low59.4Low21 Ų2168.4 Ų68.413%0.12940%0.397CS..Hα-helixtrans-59.7-43.4173.3-65.80000112H43 D127 I133 L134H43-T130 PolarHBondContact CE1-OG1 2.87Å; H43-T130 WeakPolarHBondContact NE2-CG2 3.32Å; H43-T130 PolarHBondContact NE2-OG1 3.35Å; D127-T130 PolarHBondContact O-N 3.49Å; T130-I133 PolarHBondContact O-N 3.07Å; T130-L134 HydrophobicContact CG2-CD1 3.98Å; T130-L134 WeakPolarHBondContact O-CB 3.46Å; T130-L134 PolarHBondContact O-N 3.03Å
131V60.6Low59.7Low9 Ų964.9 Ų64.96%0.05537%0.371CS..Hα-helixtrans-65.2-43.2178.6173.70000111C126 D127 A129 I133 L134 I135C126-V131 HydrophobicContact CB-CG2 3.62Å; D127-V131 WeakPolarHBondContact O-CG2 3.48Å; D127-V131 PolarHBondContact O-N 3.26Å; A129-V131 VanDerWaalsContact C-N 3.34Å; A129-V131 PolarHBondContact O-N 3.46Å; V131-I133 PolarHBondContact O-N 3.39Å; V131-L134 PolarHBondContact O-N 2.94Å; V131-I135 HydrophobicContact CG1-CD1 3.6Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.47Å; V131-I135 PolarHBondContact O-N 2.85Å
132N58.5Low59.9Low94 Ų9460.9 Ų60.950%0.50335%0.348SS..Hα-helixtrans-66.7-35.8178.4-74-23.8000113P128 A129 G136P128-N132 VanDerWaalsContact O-CB 3.32Å; P128-N132 WeakPolarHBondContact O-CB 3.44Å; P128-N132 PolarHBondContact O-N 3.28Å; P128-N132 PolarHBondContact O-ND2 3.07Å; P128-N132 VanDerWaalsContact O-ND2 3.15Å; A129-N132 PolarHBondContact O-N 2.97Å; N132-G136 PolarHBondContact O-N 3.34Å
133I62.3Low60.3Low97 Ų9763.5 Ų63.550%0.49735%0.352SS..Hα-helixtrans-65.4-47173.4-68.9166.1000110.2A129 T130 V131 I135 G136 L137A129-I133 VanDerWaalsContact O-CG1 3.31Å; A129-I133 WeakPolarHBondContact O-CG1 3.23Å; A129-I133 PolarHBondContact O-N 3.49Å; T130-I133 PolarHBondContact O-N 3.07Å; V131-I133 PolarHBondContact O-N 3.39Å; I133-I135 PolarHBondContact O-N 3.36Å; I133-G136 PolarHBondContact O-N 2.86Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.49Å
134L59.2Low60.8Low8 Ų863.7 Ų63.74%0.04235%0.347CS..Hα-helixtrans-60.4-42175.9-89.1155.1000112.7L39 L55 L59 W118 T130 V131 L137 I138L39-L134 HydrophobicContact CD2-CD1 4.18Å; L39-L134 HydrophobicContact CD2-CD2 3.65Å; L39-L134 HydrophobicContact CD2-CG 3.72Å; L55-L134 HydrophobicContact CD1-CD1 4.36Å; L59-L134 HydrophobicContact CD2-CD2 4.32Å; W118-L134 HydrophobicContact CH2-CD1 4.3Å; W118-L134 HydrophobicContact CZ3-CD1 4.35Å; T130-L134 HydrophobicContact CG2-CD1 3.98Å; T130-L134 WeakPolarHBondContact O-CB 3.46Å; T130-L134 PolarHBondContact O-N 3.03Å; V131-L134 PolarHBondContact O-N 2.94Å; L134-L137 PolarHBondContact O-N 2.95Å; L134-I138 WeakPolarHBondContact O-CD1 3.45Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.15Å; L134-I138 PolarHBondContact O-N 3.17Å
135I61.2Low61.3Low44 Ų4454.5 Ų54.523%0.22631%0.312CS..Hα-helixtrans-65.2-47.5176.4-70.5171.1000110.8V119 V131 I133 L137 I138 I139V119-I135 HydrophobicContact CB-CG1 4.37Å; V119-I135 HydrophobicContact CG1-CD1 3.92Å; V119-I135 HydrophobicContact CG1-CG1 3.68Å; V119-I135 HydrophobicContact CG2-CG1 3.76Å; V131-I135 HydrophobicContact CG1-CD1 3.6Å; V131-I135 HydrophobicContact CG1-CG1 4.29Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.47Å; V131-I135 PolarHBondContact O-N 2.85Å; I133-I135 PolarHBondContact O-N 3.36Å; I135-L137 PolarHBondContact O-N 3.08Å; I135-I138 PolarHBondContact O-N 3.48Å; I135-I139 HydrophobicContact CG2-CD1 3.61Å; I135-I139 HydrophobicContact CG2-CG1 4.34Å; I135-I139 WeakPolarHBondContact O-CB 3.32Å; I135-I139 VanDerWaalsContact O-CG1 3.26Å; I135-I139 WeakPolarHBondContact O-CG1 3.19Å; I135-I139 PolarHBondContact O-N 3.43Å
136G60.9Low61.4Low41 Ų4154.6 Ų54.642%0.42330%0.299SS..Hα-helixtrans-59.2-38.4176.500000112.1N132 I133 Y140N132-G136 PolarHBondContact O-N 3.34Å; I133-G136 PolarHBondContact O-N 2.86Å; G136-Y140 WeakPolarHBondContact O-CB 3.35Å; G136-Y140 PolarHBondContact O-N 3.21Å
137L61.2Low61.3Low49 Ų4958.2 Ų58.226%0.25732%0.315SS..Hα-helixtrans-65.9-49.2174.5-72.1169.7000111.7W32 I133 L134 I135 I139 Y140 N141W32-L137 HydrophobicContact CE3-CD2 4.22Å; W32-L137 VanDerWaalsContact CH2-CA 3.46Å; W32-L137 HydrophobicContact CH2-CB 3.43Å; W32-L137 VanDerWaalsContact CH2-CB 3.43Å; W32-L137 HydrophobicContact CH2-CD2 3.3Å; W32-L137 HydrophobicContact CH2-CG 3.94Å; W32-L137 WeakPolarHBondContact CH2-O 3.23Å; W32-L137 HydrophobicContact CZ2-CB 3.89Å; W32-L137 HydrophobicContact CZ2-CD2 4.14Å; W32-L137 HydrophobicContact CZ3-CB 4.35Å; W32-L137 HydrophobicContact CZ3-CD2 3.34Å; W32-L137 HydrophobicContact CZ3-CG 4.43Å; I133-L137 HydrophobicContact CG2-CD1 3.88Å; I133-L137 HydrophobicContact CG2-CG 4.43Å; I133-L137 WeakPolarHBondContact O-CB 3.37Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.49Å; L134-L137 PolarHBondContact O-N 2.95Å; I135-L137 PolarHBondContact O-N 3.08Å; L137-I139 VanDerWaalsContact C-N 3.29Å; L137-I139 PolarHBondContact O-N 2.87Å; L137-Y140 PolarHBondContact O-N 3.13Å; L137-N141 PolarHBondContact O-N 3.38Å; L137-N141 VanDerWaalsContact O-N 3.07Å
138I63.3Low61Low20 Ų2055.7 Ų55.710%0.10330%0.303CS..Hα-helixtrans-59.8-42.1178.7-69.3163.8000110.7V119 L134 I135 N141 Q142V119-I138 HydrophobicContact CG2-CD1 3.53Å; L134-I138 WeakPolarHBondContact O-CD1 3.45Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.15Å; L134-I138 PolarHBondContact O-N 3.17Å; I135-I138 PolarHBondContact O-N 3.48Å; I138-N141 PolarHBondContact O-N 3.28Å; I138-Q142 VanDerWaalsContact O-CG 3.22Å; I138-Q142 WeakPolarHBondContact O-CG 3.36Å; I138-Q142 PolarHBondContact O-N 2.94Å
139I62.6Low60.8Low62 Ų6256.5 Ų56.532%0.31830%0.302SS..Hα-helixtrans-64.6-44.5177.8-68.7170000111.7I135 L137 N141 Q142 L143 F184I135-I139 HydrophobicContact CG2-CD1 3.61Å; I135-I139 HydrophobicContact CG2-CG1 4.34Å; I135-I139 WeakPolarHBondContact O-CB 3.32Å; I135-I139 VanDerWaalsContact O-CG1 3.26Å; I135-I139 WeakPolarHBondContact O-CG1 3.19Å; I135-I139 PolarHBondContact O-N 3.43Å; L137-I139 VanDerWaalsContact C-N 3.29Å; L137-I139 PolarHBondContact O-N 2.87Å; I139-N141 VanDerWaalsContact C-N 3.34Å; I139-N141 PolarHBondContact O-N 2.88Å; I139-Q142 PolarHBondContact O-N 3.21Å; I139-L143 HydrophobicContact CG2-CD1 3.78Å; I139-L143 HydrophobicContact CG2-CG 4.48Å; I139-L143 PolarHBondContact O-N 3.38Å; I139-F184 HydrophobicContact CG2-CZ 4.37Å
140Y66Low60.3Low124 Ų12458 Ų5849%0.48630%0.302SS..Hα-helixtrans-58.7-45.1177.1178.7-94.9000112W32 G136 L137 Q142 L143 F144W32-Y140 HydrophobicContact CE3-CD1 4.11Å; W32-Y140 HydrophobicContact CE3-CE1 4.34Å; W32-Y140 HydrophobicContact CH2-CD1 4.18Å; W32-Y140 AromaticContact CZ3-CD1 3.49Å; W32-Y140 HydrophobicContact CZ3-CD1 3.49Å; W32-Y140 VanDerWaalsContact CZ3-CD1 3.49Å; W32-Y140 HydrophobicContact CZ3-CE1 4.13Å; W32-Y140 HydrophobicContact CZ3-CG 4.34Å; G136-Y140 WeakPolarHBondContact O-CB 3.35Å; G136-Y140 PolarHBondContact O-N 3.21Å; L137-Y140 PolarHBondContact O-N 3.13Å; Y140-Q142 VanDerWaalsContact C-N 3.32Å; Y140-Q142 PolarHBondContact O-N 3Å; Y140-L143 PolarHBondContact O-N 2.83Å; Y140-F144 WeakPolarHBondContact O-CB 3.43Å; Y140-F144 PolarHBondContact O-N 2.94Å
141N61.7Low59.7Low19 Ų1960.3 Ų60.310%0.10232%0.318CS..Hα-helixtrans-65-35177.3-169.225.1000112.2W32 L137 I138 I139 R145W32-N141 HydrophobicContact CH2-CB 4.34Å; W32-N141 HydrophobicContact CZ2-CB 4.13Å; L137-N141 PolarHBondContact O-N 3.38Å; L137-N141 VanDerWaalsContact O-N 3.07Å; I138-N141 PolarHBondContact O-N 3.28Å; I139-N141 VanDerWaalsContact C-N 3.34Å; I139-N141 PolarHBondContact O-N 2.88Å; N141-R145 PolarHBondContact ND2-NH1 3.28Å; N141-R145 WeakPolarHBondContact O-CG 3.15Å; N141-R145 PolarHBondContact O-N 2.83Å; N141-R145 PolarHBondContact O-NE 3.4Å
142Q63.4Low59.1Low59 Ų5964.3 Ų64.328%0.27634%0.339SS..Hα-helixtrans-71.3-42.6175.5-66.9-68.126.300112.9I138 I139 Y140 R145 L146I138-Q142 VanDerWaalsContact O-CG 3.22Å; I138-Q142 WeakPolarHBondContact O-CG 3.36Å; I138-Q142 PolarHBondContact O-N 2.94Å; I139-Q142 PolarHBondContact O-N 3.21Å; Y140-Q142 VanDerWaalsContact C-N 3.32Å; Y140-Q142 PolarHBondContact O-N 3Å; Q142-R145 PolarHBondContact O-N 3.45Å; Q142-L146 PolarHBondContact O-N 3.03Å
143L62.5Low58.4Low96 Ų9662 Ų6250%0.50333%0.33SS..Hα-helixtrans-62.7-45.5176.5-84.4162.8000111.8I139 Y140 R145 L146 I147I139-L143 HydrophobicContact CG2-CD1 3.78Å; I139-L143 HydrophobicContact CG2-CG 4.48Å; I139-L143 PolarHBondContact O-N 3.38Å; Y140-L143 PolarHBondContact O-N 2.83Å; L143-R145 PolarHBondContact O-N 2.99Å; L143-L146 PolarHBondContact O-N 3.18Å; L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 2.94Å
144F62.9Low57.7Low53 Ų5364.6 Ų64.623%0.23234%0.338CS..Hα-helixtrans-60.5-44.3178.1-176.9-100.4000111.9L28 Y140 L146 I147 V148L28-F144 HydrophobicContact CD1-CE2 3.98Å; L28-F144 HydrophobicContact CD1-CZ 4.13Å; Y140-F144 WeakPolarHBondContact O-CB 3.43Å; Y140-F144 PolarHBondContact O-N 2.94Å; F144-L146 PolarHBondContact O-N 2.82Å; F144-I147 PolarHBondContact O-N 3.4Å; F144-V148 HydrophobicContact CD1-CG2 4.25Å; F144-V148 HydrophobicContact CE1-CG2 3.86Å; F144-V148 HydrophobicContact CE2-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.97Å; F144-V148 WeakPolarHBondContact O-CG2 3.3Å; F144-V148 PolarHBondContact O-N 3.33Å
145R63.1Low56.9Low26 Ų2668.5 Ų68.510%0.09836%0.358CS..Hα-helixtrans-61.5-42.9175.2-77.9-172.7-67.5-129.6-7.6112.9E108 A112 N141 Q142 L143 I147 V148 I149E108-R145 PolarHBondContact O-NH1 3.18Å; E108-R145 IonicContact OE1-NH1 3.11Å; A112-R145 VanDerWaalsContact CB-CZ 3.48Å; N141-R145 PolarHBondContact ND2-NH1 3.28Å; N141-R145 WeakPolarHBondContact O-CG 3.15Å; N141-R145 PolarHBondContact O-N 2.83Å; N141-R145 PolarHBondContact O-NE 3.4Å; Q142-R145 PolarHBondContact O-N 3.45Å; L143-R145 PolarHBondContact O-N 2.99Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 3.3Å; R145-V148 PolarHBondContact O-N 3.4Å; R145-I149 WeakPolarHBondContact O-CB 3.42Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.35Å; R145-I149 PolarHBondContact O-N 3.35Å
146L57Low56Low59 Ų5969.1 Ų69.131%0.30936%0.364SS..Hα-helixtrans-61-40.5175.9-86.6158.4000111.9Q142 L143 F144 N150Q142-L146 PolarHBondContact O-N 3.03Å; L143-L146 PolarHBondContact O-N 3.18Å; F144-L146 PolarHBondContact O-N 2.82Å; L146-N150 VanDerWaalsContact O-CB 3.27Å; L146-N150 WeakPolarHBondContact O-CB 3.2Å; L146-N150 VanDerWaalsContact O-CG 3.31Å; L146-N150 PolarHBondContact O-N 3.48Å; L146-N150 PolarHBondContact O-ND2 3.49Å
147I58.5Low55.2Low102 Ų10272 Ų7252%0.52337%0.369SS..Hα-helixtrans-63.3-48.2175.5-67.8163.8000110.5L143 F144 R145 I149 N150 C151L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 2.94Å; F144-I147 PolarHBondContact O-N 3.4Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 3.3Å; I147-I149 PolarHBondContact O-N 3.36Å; I147-N150 PolarHBondContact O-N 3.37Å; I147-C151 WeakPolarHBondContact O-CB 3.43Å; I147-C151 PolarHBondContact O-N 2.82Å; I147-C151 PolarHBondContact O-SG 3.24Å
148V56.7Low54.1Low45 Ų4578.2 Ų78.227%0.27340%0.397SS..Hα-helixtrans-62.3-44.6179.1173.30000111.3F144 R145 C151 L152F144-V148 HydrophobicContact CD1-CG2 4.25Å; F144-V148 HydrophobicContact CE1-CG2 3.86Å; F144-V148 HydrophobicContact CE2-CG2 4.45Å; F144-V148 HydrophobicContact CZ-CG2 3.97Å; F144-V148 WeakPolarHBondContact O-CG2 3.3Å; F144-V148 PolarHBondContact O-N 3.33Å; R145-V148 PolarHBondContact O-N 3.4Å; V148-C151 PolarHBondContact O-N 3.36Å; V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CB 3.5Å; V148-L152 VanDerWaalsContact O-CG 3.27Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 2.84Å
149I54.8Low52.9Low103 Ų10382.9 Ų82.953%0.52842%0.421SS..Hα-helixtrans-63.2-43.3177.4-69.1166.4000111R145 I147 L152 S153R145-I149 WeakPolarHBondContact O-CB 3.42Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.35Å; R145-I149 PolarHBondContact O-N 3.35Å; I147-I149 PolarHBondContact O-N 3.36Å; I149-L152 PolarHBondContact O-N 2.94Å; I149-S153 WeakPolarHBondContact O-CB 3.08Å; I149-S153 PolarHBondContact O-N 3.12Å; I149-S153 PolarHBondContact O-OG 3.41Å
150N49.5Very low51.6Low88 Ų8884 Ų8447%0.47143%0.428SS..Hα-helixtrans-67-35.6177.2-80.4-27.6000112.8L146 I147 S153 K154L146-N150 VanDerWaalsContact O-CB 3.27Å; L146-N150 WeakPolarHBondContact O-CB 3.2Å; L146-N150 VanDerWaalsContact O-CG 3.31Å; L146-N150 PolarHBondContact O-N 3.48Å; L146-N150 PolarHBondContact O-ND2 3.49Å; I147-N150 PolarHBondContact O-N 3.37Å; N150-S153 WeakPolarHBondContact CA-OG 3.38Å; N150-S153 PolarHBondContact O-OG 3.14Å; N150-K154 WeakPolarHBondContact O-CB 3.28Å; N150-K154 WeakPolarHBondContact O-CG 3.44Å; N150-K154 PolarHBondContact O-N 2.9Å
151C47.7Very low50.2Low68 Ų6881.4 Ų81.446%0.45944%0.439SS..Hα-helixtrans-65.8-47.6172.3-810000110.9I147 V148 S153 K154 I155I147-C151 WeakPolarHBondContact O-CB 3.43Å; I147-C151 PolarHBondContact O-N 2.82Å; I147-C151 PolarHBondContact O-SG 3.24Å; V148-C151 PolarHBondContact O-N 3.36Å; C151-S153 VanDerWaalsContact C-N 3.35Å; C151-S153 PolarHBondContact O-N 3.06Å; C151-K154 PolarHBondContact O-N 3.47Å; C151-I155 WeakPolarHBondContact O-CD1 3.46Å; C151-I155 VanDerWaalsContact O-CG1 3.24Å; C151-I155 WeakPolarHBondContact O-CG1 3.37Å; C151-I155 PolarHBondContact O-N 3.03Å
152L48.6Very low48.8Very low94 Ų9488.5 Ų88.549%0.49248%0.476SS..Hα-helixtrans-62.8-39.8177.1-71.7171.2000111.8V148 I149 I155 V156V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.38Å; V148-L152 WeakPolarHBondContact O-CB 3.5Å; V148-L152 VanDerWaalsContact O-CG 3.27Å; V148-L152 WeakPolarHBondContact O-CG 3.41Å; V148-L152 PolarHBondContact O-N 2.84Å; I149-L152 PolarHBondContact O-N 2.94Å; L152-I155 PolarHBondContact O-N 2.97Å; L152-V156 WeakPolarHBondContact O-CB 3.47Å; L152-V156 VanDerWaalsContact O-CG2 3.23Å; L152-V156 WeakPolarHBondContact O-CG2 3.18Å; L152-V156 PolarHBondContact O-N 3.26Å
153S44.4Very low47.3Very low45 Ų4591.2 Ų91.232%0.31550%0.496SS..Hα-helixtrans-67.4-37.8176.972.50000112.1I149 N150 C151 V156 N157I149-S153 WeakPolarHBondContact O-CB 3.08Å; I149-S153 PolarHBondContact O-N 3.12Å; I149-S153 PolarHBondContact O-OG 3.41Å; N150-S153 WeakPolarHBondContact CA-OG 3.38Å; N150-S153 PolarHBondContact O-OG 3.14Å; C151-S153 VanDerWaalsContact C-N 3.35Å; C151-S153 PolarHBondContact O-N 3.06Å; S153-V156 PolarHBondContact O-N 3.07Å; S153-N157 WeakPolarHBondContact O-CB 3.43Å; S153-N157 PolarHBondContact O-N 3.18Å; S153-N157 PolarHBondContact O-ND2 3.19Å; S153-N157 PolarHBondContact O-OD1 3.46Å
154K46.3Very low46Very low152 Ų15293.4 Ų93.466%0.66151%0.509SS*.Hα-helixtrans-65.1-40.3173.1-80.2-178.5178.6-178.50111.9N150 C151 N157 Q158N150-K154 WeakPolarHBondContact O-CB 3.28Å; N150-K154 WeakPolarHBondContact O-CG 3.44Å; N150-K154 PolarHBondContact O-N 2.9Å; C151-K154 PolarHBondContact O-N 3.47Å; K154-N157 PolarHBondContact O-N 3.38Å; K154-Q158 PolarHBondContact O-N 2.6Å
155I43.6Very low44.6Very low90 Ų9098.9 Ų98.946%0.46253%0.529SS..Hα-helixtrans-65.9-45.4176.4-68.5164.2000110.5C151 L152 N157 Q158 L159C151-I155 WeakPolarHBondContact O-CD1 3.46Å; C151-I155 VanDerWaalsContact O-CG1 3.24Å; C151-I155 WeakPolarHBondContact O-CG1 3.37Å; C151-I155 PolarHBondContact O-N 3.03Å; L152-I155 PolarHBondContact O-N 2.97Å; I155-N157 VanDerWaalsContact C-N 3.35Å; I155-N157 PolarHBondContact O-N 2.91Å; I155-Q158 PolarHBondContact O-N 2.82Å; I155-L159 HydrophobicContact CG2-CD1 3.92Å; I155-L159 WeakPolarHBondContact O-CD1 3.48Å; I155-L159 VanDerWaalsContact O-CG 3.28Å; I155-L159 WeakPolarHBondContact O-CG 3.09Å; I155-L159 PolarHBondContact O-N 3.46Å; I155-L159 VanDerWaalsContact O-N 3.09Å
156V42.2Very low43.2Very low57 Ų57101.6 Ų101.635%0.34555%0.552SS.*Hα-helixtrans-65-37.9176.5170.90000111.6L152 S153 L159 N160L152-V156 WeakPolarHBondContact O-CB 3.47Å; L152-V156 VanDerWaalsContact O-CG2 3.23Å; L152-V156 WeakPolarHBondContact O-CG2 3.18Å; L152-V156 PolarHBondContact O-N 3.26Å; S153-V156 PolarHBondContact O-N 3.07Å; V156-L159 PolarHBondContact O-N 2.92Å; V156-L159 VanDerWaalsContact O-N 3.13Å; V156-N160 PolarHBondContact O-N 3.37Å
157N42.7Very low42.1Very low102 Ų102103.4 Ų103.455%0.54557%0.57SS.*Hα-helixtrans-68.3-32.9175.2-73.1-8000112.6S153 K154 I155 L159S153-N157 WeakPolarHBondContact O-CB 3.43Å; S153-N157 PolarHBondContact O-N 3.18Å; S153-N157 PolarHBondContact O-ND2 3.19Å; S153-N157 PolarHBondContact O-OD1 3.46Å; K154-N157 PolarHBondContact O-N 3.38Å; I155-N157 VanDerWaalsContact C-N 3.35Å; I155-N157 PolarHBondContact O-N 2.91Å; N157-L159 VanDerWaalsContact C-N 3.27Å
158Q37.8Very low41.1Very low178 Ų178101.8 Ų101.883%0.83256%0.562SS**Hα-helixtrans-71.1-22.9170.5-79.3-156.8-16.700113.2K154 I155K154-Q158 PolarHBondContact O-N 2.6Å; I155-Q158 PolarHBondContact O-N 2.82Å
159L37.8Very low40.1Very low118 Ų118104.6 Ų104.662%0.61857%0.572SS**Hα-helixtrans-90.1-25.2179.3-70.4165.9000113.5I155 V156 N157I155-L159 HydrophobicContact CG2-CD1 3.92Å; I155-L159 WeakPolarHBondContact O-CD1 3.48Å; I155-L159 VanDerWaalsContact O-CG 3.28Å; I155-L159 WeakPolarHBondContact O-CG 3.09Å; I155-L159 PolarHBondContact O-N 3.46Å; I155-L159 VanDerWaalsContact O-N 3.09Å; V156-L159 PolarHBondContact O-N 2.92Å; V156-L159 VanDerWaalsContact O-N 3.13Å; N157-L159 VanDerWaalsContact C-N 3.27Å
160N36.1Very low39.2Very low85 Ų85107.3 Ų107.346%0.45558%0.583SS.*  trans-103.754.2179.5-74.3-24.5000112.4V156 L162V156-N160 PolarHBondContact O-N 3.37Å; N160-L162 PolarHBondContact O-N 3.16Å
161G36.2Very low38.6Very low70 Ų70108.6 Ų108.672%0.72259%0.589SS**THydrogen-bonded Turntrans-66.126.5173.500000115.9
162L32.6Very low38.1Very low168 Ų168110.1 Ų110.188%0.8859%0.592SS**THydrogen-bonded Turntrans-141.216.9-178.9-76.4178.4000115.8N160N160-L162 PolarHBondContact O-N 3.16Å
163V33.3Very low37.4Very low116 Ų116111.8 Ų111.870%0.70360%0.595SS**SBendtrans-139.7114.6163.4-176.30000109.9Y165V163-Y165 PolarHBondContact O-N 3.37Å
164D33.7Very low37Very low143 Ų143112.4 Ų112.477%0.76560%0.599SS**  trans-63.2112.3173.8-161.6-8.6000109.7S166D164-S166 PolarHBondContact OD1-OG 3.45Å
165Y33.7Very low36.5Very low167 Ų167110 Ų11066%0.65559%0.593SS**  trans-129.354.3-180-146.8-102.8000110V163 N168V163-Y165 PolarHBondContact O-N 3.37Å; Y165-N168 HydrophobicContact CD1-CB 4.01Å; Y165-N168 HydrophobicContact CE1-CB 3.51Å; Y165-N168 WeakPolarHBondContact CE1-ND2 3.3Å; Y165-N168 PolarHBondContact OH-ND2 2.92Å
166S34.3Very low36.2Very low83 Ų83109.1 Ų109.158%0.5859%0.589SS**  trans-76.2-22.718052.10000113.8D164D164-S166 PolarHBondContact OD1-OG 3.45Å
167S33.8Very low35.9Very low98 Ų98111.4 Ų111.469%0.68560%0.599SS**THydrogen-bonded Turntrans-79.7-28.9-169.4-44.20000115.4
168N37.6Very low35.6Very low67 Ų67112.5 Ų112.536%0.35860%0.601SS.*Hα-helixtrans-91.4-5.4-174.2-79-18000114.7Y165 I172Y165-N168 HydrophobicContact CD1-CB 4.01Å; Y165-N168 HydrophobicContact CE1-CB 3.51Å; Y165-N168 WeakPolarHBondContact CE1-ND2 3.3Å; Y165-N168 PolarHBondContact OH-ND2 2.92Å; N168-I172 WeakPolarHBondContact O-CG1 3.47Å; N168-I172 PolarHBondContact O-N 2.98Å
169Q35.3Very low35.4Very low104 Ų104108.1 Ų108.149%0.48659%0.586SS.*Hα-helixtrans-74.3-33.1177.9-115.6-163.210.800113.1K173Q169-K173 VanDerWaalsContact O-CB 3.24Å; Q169-K173 WeakPolarHBondContact O-CB 3.36Å; Q169-K173 VanDerWaalsContact O-CG 3.23Å; Q169-K173 WeakPolarHBondContact O-CG 3.21Å; Q169-K173 PolarHBondContact O-N 3.29Å
170Q36.7Very low35.3Very low160 Ų160106 Ų10675%0.74858%0.575SS**Hα-helixtrans-72.7-36.9-179.4-80-176.4-14.900112.3S174Q170-S174 WeakPolarHBondContact O-CB 3.25Å; Q170-S174 PolarHBondContact O-N 3.43Å
171L37.3Very low35.5Very low116 Ų116104.5 Ų104.561%0.60757%0.569SS**Hα-helixtrans-68.6-42.5179.6-147.284.7000111.7S174 L175L171-S174 PolarHBondContact O-N 2.92Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 PolarHBondContact O-N 3.33Å
172I36.5Very low35.4Very low100 Ų100107 Ų10751%0.51357%0.565SS.*Hα-helixtrans-71.8-41178.6-64172.8000110.8N168 S174 L175 I176N168-I172 WeakPolarHBondContact O-CG1 3.47Å; N168-I172 PolarHBondContact O-N 2.98Å; I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.21Å; I172-L175 PolarHBondContact O-N 3.26Å; I172-I176 HydrophobicContact CG2-CD1 3.56Å; I172-I176 HydrophobicContact CG2-CG1 4.31Å; I172-I176 WeakPolarHBondContact O-CB 3.09Å; I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.15Å
173K34.2Very low35.6Very low128 Ų128106 Ų10656%0.55756%0.556SS**Hα-helixtrans-61-40.1172-78.9174.5176.5172.30111.6Q169 N177Q169-K173 VanDerWaalsContact O-CB 3.24Å; Q169-K173 WeakPolarHBondContact O-CB 3.36Å; Q169-K173 VanDerWaalsContact O-CG 3.23Å; Q169-K173 WeakPolarHBondContact O-CG 3.21Å; Q169-K173 PolarHBondContact O-N 3.29Å; K173-N177 WeakPolarHBondContact O-CB 3.41Å; K173-N177 PolarHBondContact O-N 3.09Å
174S35.1Very low35.7Very low59 Ų59106.4 Ų106.441%0.41355%0.549SS..Hα-helixtrans-63.9-48177.1178.80000112.4Q170 L171 I172 I176 N177 Q178Q170-S174 WeakPolarHBondContact O-CB 3.25Å; Q170-S174 PolarHBondContact O-N 3.43Å; L171-S174 PolarHBondContact O-N 2.92Å; I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.21Å; S174-I176 PolarHBondContact O-N 3.37Å; S174-N177 PolarHBondContact O-N 3.26Å; S174-Q178 WeakPolarHBondContact O-CB 3.42Å; S174-Q178 WeakPolarHBondContact O-CG 3.38Å; S174-Q178 PolarHBondContact O-N 2.79Å
175L36.8Very low35.8Very low101 Ų101105.6 Ų105.653%0.52954%0.544SS..Hα-helixtrans-64.2-39.5178.8-82.7157000113L171 I172 T179L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 PolarHBondContact O-N 3.33Å; I172-L175 PolarHBondContact O-N 3.26Å; L175-T179 PolarHBondContact O-N 2.75Å; L175-T179 PolarHBondContact O-OG1 3.01Å
176I36.5Very low35.8Very low72 Ų72104.4 Ų104.437%0.36955%0.549SS..Hα-helixtrans-71.4-42.2178.2-67.9172.2000110.8I172 S174 T179 I180I172-I176 HydrophobicContact CG2-CD1 3.56Å; I172-I176 HydrophobicContact CG2-CG1 4.31Å; I172-I176 WeakPolarHBondContact O-CB 3.09Å; I172-I176 WeakPolarHBondContact O-CG1 3.48Å; I172-I176 PolarHBondContact O-N 3.15Å; S174-I176 PolarHBondContact O-N 3.37Å; I176-T179 PolarHBondContact O-N 2.99Å; I176-I180 HydrophobicContact CG2-CD1 3.56Å; I176-I180 HydrophobicContact CG2-CG1 4.38Å; I176-I180 WeakPolarHBondContact O-CB 3.31Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 2.99Å
177N35.3Very low36Very low105 Ų105111 Ų11156%0.56156%0.562SS**Hα-helixtrans-67.2-38.4-179.6-153.825.8000111.4K173 S174 T179 V181K173-N177 WeakPolarHBondContact O-CB 3.41Å; K173-N177 PolarHBondContact O-N 3.09Å; S174-N177 PolarHBondContact O-N 3.26Å; N177-T179 PolarHBondContact O-N 3.5Å; N177-V181 WeakPolarHBondContact O-CB 3.44Å; N177-V181 WeakPolarHBondContact O-CG2 3.46Å; N177-V181 PolarHBondContact O-N 3.26Å; N177-V181 WeakPolarHBondContact OD1-CG2 3.28Å
178Q37.2Very low35.8Very low124 Ų124114.3 Ų114.358%0.57957%0.571SS**Hα-helixtrans-68.3-31.2176.4-77.6-172.3-13.700113.8S174 N182S174-Q178 WeakPolarHBondContact O-CB 3.42Å; S174-Q178 WeakPolarHBondContact O-CG 3.38Å; S174-Q178 PolarHBondContact O-N 2.79Å; Q178-N182 WeakPolarHBondContact O-CB 3.21Å; Q178-N182 PolarHBondContact O-ND2 3.11Å
179T33.8Very low35.7Very low86 Ų86119.3 Ų119.353%0.52860%0.595SS.*Hα-helixtrans-82.7-36.7-178.9-48.10000111.8L175 I176 N177 Q183L175-T179 PolarHBondContact O-N 2.75Å; L175-T179 PolarHBondContact O-OG1 3.01Å; I176-T179 PolarHBondContact O-N 2.99Å; N177-T179 PolarHBondContact O-N 3.5Å; T179-Q183 WeakPolarHBondContact O-CG 3.16Å
180I35.7Very low35.5Very low74 Ų74117.7 Ų117.738%0.37961%0.607SS.*Hα-helixtrans-84.3-43.1-175.2-64178.6000111.9I176 N182 Q183 F184I176-I180 HydrophobicContact CG2-CD1 3.56Å; I176-I180 HydrophobicContact CG2-CG1 4.38Å; I176-I180 WeakPolarHBondContact O-CB 3.31Å; I176-I180 WeakPolarHBondContact O-CG1 3.43Å; I176-I180 PolarHBondContact O-N 2.99Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 2.93Å; I180-Q183 PolarHBondContact O-N 2.92Å; I180-F184 HydrophobicContact CG2-CD2 4.35Å; I180-F184 WeakPolarHBondContact O-CB 3.2Å; I180-F184 PolarHBondContact O-N 2.73Å
181V39Very low35.8Very low54 Ų54117.4 Ų117.433%0.32761%0.61SS.*Hα-helixtrans-66.6-37.5-178.8175.40000111.4N177 Q183 F184 N185N177-V181 WeakPolarHBondContact O-CB 3.44Å; N177-V181 WeakPolarHBondContact O-CG2 3.46Å; N177-V181 PolarHBondContact O-N 3.26Å; N177-V181 WeakPolarHBondContact OD1-CG2 3.28Å; V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 3.16Å; V181-F184 PolarHBondContact O-N 3.12Å; V181-N185 WeakPolarHBondContact CG1-ND2 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.39Å; V181-N185 PolarHBondContact O-N 2.88Å; V181-N185 VanDerWaalsContact O-N 3.14Å
182N35.5Very low36Very low122 Ų122117.6 Ų117.665%0.65261%0.612SS**Hα-helixtrans-71.9-23.9178.3-74-24000113.5Q178 I180Q178-N182 WeakPolarHBondContact O-CB 3.21Å; Q178-N182 PolarHBondContact O-ND2 3.11Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 2.93Å
183Q37.2Very low36.1Very low146 Ų146120.5 Ų120.568%0.68262%0.623SS**Hα-helixtrans-86.8-30.4174.9-76.9-169.2-14.400113.2T179 I180 V181T179-Q183 WeakPolarHBondContact O-CG 3.16Å; I180-Q183 PolarHBondContact O-N 2.92Å; V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 3.16Å
184F35.4Very low36.1Very low125 Ų125121.7 Ų121.755%0.54864%0.635SS.*Hα-helixtrans-93.1-29.7-173.8-99.3-94.1000115.2I139 I180 V181 N186I139-F184 HydrophobicContact CG2-CZ 4.37Å; I180-F184 HydrophobicContact CG2-CD2 4.35Å; I180-F184 WeakPolarHBondContact O-CB 3.2Å; I180-F184 PolarHBondContact O-N 2.73Å; V181-F184 PolarHBondContact O-N 3.12Å; F184-N186 PolarHBondContact O-N 2.57Å
185N34.4Very low35.9Very low126 Ų126124.7 Ų124.767%0.67465%0.646SS**THydrogen-bonded Turntrans-69.7-14.9-174.3-88.8-5000115V181V181-N185 WeakPolarHBondContact CG1-ND2 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.39Å; V181-N185 PolarHBondContact O-N 2.88Å; V181-N185 VanDerWaalsContact O-N 3.14Å
186N35Very low35.7Very low142 Ų142127.1 Ų127.176%0.75965%0.652SS**THydrogen-bonded Turntrans-93.86-171.1-81.6-14.6000116.1F184F184-N186 PolarHBondContact O-N 2.57Å
187R37.8Very low35.7Very low223 Ų223129.7 Ų129.784%0.84266%0.663SS**THydrogen-bonded Turntrans-138.3-12.1179.7-87.3-167.5178.5176.40120.6
188L29Very low35.6Very low166 Ų166129 Ų12987%0.86966%0.662SS**  trans-143.698.8-179.8-84.1159.5000111.4
189I35.1Very low35.5Very low172 Ų172125.8 Ų125.888%0.88265%0.654SS**  trans-70.6142.1172.7-67.5167.8000110.5
190G32Very low35.5Very low70 Ų70126.2 Ų126.272%0.72265%0.652SS**  trans16791.9159.800000113.9N192G190-N192 PolarHBondContact O-N 3.45Å
191D41.8Very low35.4Very low154 Ų154127.3 Ų127.382%0.82466%0.658SS**  trans-60.2109.2-176.4-68-43.8000114.3
192N42.2Very low35.2Very low121 Ų121129.5 Ų129.565%0.64767%0.668SS**  trans172.288.7135-93.6-42.6000110.3G190G190-N192 PolarHBondContact O-N 3.45Å
193Q38Very low35.1Very low160 Ų160128.3 Ų128.375%0.74866%0.66SS**  trans-86.4-21.9-173.3-153.3158.8-500112.9
194L34.5Very low34.9Very low153 Ų153125.5 Ų125.580%0.80165%0.649SS**Hα-helixtrans-77.4-28.9-171.7-151.978.7000114.5T198L194-T198 PolarHBondContact O-OG1 2.9Å
195L31.7Very low34.9Very low123 Ų123124.3 Ų124.364%0.64465%0.645SS**Hα-helixtrans-85.9-20.7-179.6-87.2155.7000113.5S199L195-S199 PolarHBondContact O-OG 2.84Å
196K32.6Very low34.9Very low152 Ų152122.1 Ų122.166%0.66164%0.636SS**Hα-helixtrans-85.7-39.9-178.4-90.2177.5175.8174.60112.9I200K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 2.81Å
197E35.5Very low34.8Very low126 Ų126119.6 Ų119.659%0.58962%0.622SS**Hα-helixtrans-69.8-35.3179.3-76.8-16215500112.8N201E197-N201 VanDerWaalsContact O-CB 3.25Å; E197-N201 WeakPolarHBondContact O-CB 3.47Å; E197-N201 VanDerWaalsContact O-CG 3.27Å; E197-N201 PolarHBondContact O-N 2.87Å; E197-N201 PolarHBondContact O-ND2 2.92Å
198T34.2Very low34.5Very low89 Ų89112.8 Ų112.855%0.54661%0.605SS.*Hα-helixtrans-68.9-44175.931.40000112.1L194 L202L194-T198 PolarHBondContact O-OG1 2.9Å; T198-L202 WeakPolarHBondContact O-CB 3.28Å; T198-L202 PolarHBondContact O-N 2.56Å
199S34.1Very low34.7Very low58 Ų58111.1 Ų111.141%0.40659%0.59SS.*Hα-helixtrans-66.2-42.7-179.2-55.50000113.1L195 I203L195-S199 PolarHBondContact O-OG 2.84Å; S199-I203 WeakPolarHBondContact O-CB 3.41Å; S199-I203 WeakPolarHBondContact O-CD1 3.42Å; S199-I203 WeakPolarHBondContact O-CG1 3.26Å; S199-I203 PolarHBondContact O-N 3.15Å
200I33.8Very low34.8Very low94 Ų94107.4 Ų107.448%0.48257%0.568SS.*Hα-helixtrans-75-39.5-177.2-66.3169.7000111K196 L202 I203 I204K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 2.81Å; I200-L202 VanDerWaalsContact C-N 3.32Å; I200-L202 PolarHBondContact O-N 3.46Å; I200-I203 PolarHBondContact O-N 2.87Å; I200-I204 HydrophobicContact CG2-CD1 3.71Å; I200-I204 HydrophobicContact CG2-CG1 4.37Å; I200-I204 WeakPolarHBondContact O-CB 3.06Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.5Å; I200-I204 PolarHBondContact O-N 3.49Å
201N33.8Very low34.7Very low98 Ų98110.7 Ų110.752%0.52456%0.563SS.*Hα-helixtrans-67.3-33.5174.9-73.9-44000112E197 E205E197-N201 VanDerWaalsContact O-CB 3.25Å; E197-N201 WeakPolarHBondContact O-CB 3.47Å; E197-N201 VanDerWaalsContact O-CG 3.27Å; E197-N201 PolarHBondContact O-N 2.87Å; E197-N201 PolarHBondContact O-ND2 2.92Å; N201-E205 WeakPolarHBondContact O-CB 3.01Å; N201-E205 PolarHBondContact O-N 2.87Å
202L35Very low34.3Very low100 Ų100106.4 Ų106.452%0.52455%0.545SS..Hα-helixtrans-68.1-42.4173.4-162.580.6000111.7T198 I200 E205 V206T198-L202 WeakPolarHBondContact O-CB 3.28Å; T198-L202 PolarHBondContact O-N 2.56Å; I200-L202 VanDerWaalsContact C-N 3.32Å; I200-L202 PolarHBondContact O-N 3.46Å; L202-E205 PolarHBondContact O-N 3.47Å; L202-V206 WeakPolarHBondContact O-CB 3.09Å; L202-V206 WeakPolarHBondContact O-CG2 3.11Å; L202-V206 PolarHBondContact O-N 3.42Å
203I33.9Very low33.9Very low97 Ų97108.2 Ų108.250%0.49754%0.543SS..Hα-helixtrans-65.7-40.6175.9-69.9164.4000110.9S199 I200 V206 I207S199-I203 WeakPolarHBondContact O-CB 3.41Å; S199-I203 WeakPolarHBondContact O-CD1 3.42Å; S199-I203 WeakPolarHBondContact O-CG1 3.26Å; S199-I203 PolarHBondContact O-N 3.15Å; I200-I203 PolarHBondContact O-N 2.87Å; I203-V206 PolarHBondContact O-N 2.87Å; I203-I207 HydrophobicContact CG2-CD1 3.54Å; I203-I207 HydrophobicContact CG2-CG1 4.31Å; I203-I207 VanDerWaalsContact O-CB 3.26Å; I203-I207 WeakPolarHBondContact O-CB 3.39Å; I203-I207 WeakPolarHBondContact O-CG1 3.15Å; I203-I207 PolarHBondContact O-N 2.93Å
204I33.4Very low33.7Very low87 Ų87105.3 Ų105.345%0.44653%0.526SS..Hα-helixtrans-68.7-41.9175.6-68.7170000110.7I200 V206 I207 V208I200-I204 HydrophobicContact CG2-CD1 3.71Å; I200-I204 HydrophobicContact CG2-CG1 4.37Å; I200-I204 WeakPolarHBondContact O-CB 3.06Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.5Å; I200-I204 PolarHBondContact O-N 3.49Å; I204-V206 PolarHBondContact O-N 3.32Å; I204-I207 PolarHBondContact O-N 3.22Å; I204-V208 HydrophobicContact CG2-CG2 3.89Å; I204-V208 WeakPolarHBondContact O-CB 3.32Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.14Å
205E35.5Very low33.6Very low99 Ų99100.9 Ų100.946%0.46350%0.502SS..Hα-helixtrans-61.9-43.2173.7-103.8-156.4124.600112N201 L202 K209N201-E205 WeakPolarHBondContact O-CB 3.01Å; N201-E205 PolarHBondContact O-N 2.87Å; L202-E205 PolarHBondContact O-N 3.47Å; E205-K209 WeakPolarHBondContact O-CB 3.26Å; E205-K209 VanDerWaalsContact O-CG 3.29Å; E205-K209 WeakPolarHBondContact O-CG 3.25Å; E205-K209 PolarHBondContact O-N 3.36Å; E205-K209 WeakPolarHBondContact OE1-CE 3.26Å; E205-K209 IonicContact OE1-NZ 3.14Å; E205-K209 PolarHBondContact OE1-NZ 2.82Å
206V33.4Very low33.6Very low80 Ų8099.9 Ų99.949%0.48550%0.497SS..Hα-helixtrans-66.7-44.6178.41690000110.6L202 I203 I204 K210L202-V206 WeakPolarHBondContact O-CB 3.09Å; L202-V206 WeakPolarHBondContact O-CG2 3.11Å; L202-V206 PolarHBondContact O-N 3.42Å; I203-V206 PolarHBondContact O-N 2.87Å; I204-V206 PolarHBondContact O-N 3.32Å; V206-K210 WeakPolarHBondContact O-CB 3.18Å; V206-K210 PolarHBondContact O-N 3.5Å
207I33.5Very low33.7Very low89 Ų8994.2 Ų94.246%0.45648%0.475SS..Hα-helixtrans-68.7-44178.7-69.2171000110.9I203 I204 K210 F211I203-I207 HydrophobicContact CG2-CD1 3.54Å; I203-I207 HydrophobicContact CG2-CG1 4.31Å; I203-I207 VanDerWaalsContact O-CB 3.26Å; I203-I207 WeakPolarHBondContact O-CB 3.39Å; I203-I207 WeakPolarHBondContact O-CG1 3.15Å; I203-I207 PolarHBondContact O-N 2.93Å; I204-I207 PolarHBondContact O-N 3.22Å; I207-K210 PolarHBondContact O-N 3.12Å; I207-F211 HydrophobicContact CG2-CD2 4.41Å; I207-F211 VanDerWaalsContact O-CB 3.3Å; I207-F211 WeakPolarHBondContact O-CB 3.22Å; I207-F211 PolarHBondContact O-N 3.25Å
208V32Very low33.6Very low80 Ų8089.2 Ų89.249%0.48545%0.452SS..Hα-helixtrans-71.9-38.8-179.1173.40000111.7I204 S212I204-V208 HydrophobicContact CG2-CG2 3.89Å; I204-V208 WeakPolarHBondContact O-CB 3.32Å; I204-V208 WeakPolarHBondContact O-CG2 3.39Å; I204-V208 PolarHBondContact O-N 3.14Å; V208-S212 VanDerWaalsContact O-CB 3.26Å; V208-S212 WeakPolarHBondContact O-CB 3.31Å; V208-S212 PolarHBondContact O-N 3.23Å; V208-S212 PolarHBondContact O-OG 3.34Å
209K33.2Very low33.5Very low131 Ų13189.2 Ų89.257%0.5744%0.442SS*.Hα-helixtrans-68.9-37.5172.2-75.2172.6167164.50111.6E205 Y213E205-K209 WeakPolarHBondContact O-CB 3.26Å; E205-K209 VanDerWaalsContact O-CG 3.29Å; E205-K209 WeakPolarHBondContact O-CG 3.25Å; E205-K209 PolarHBondContact O-N 3.36Å; E205-K209 WeakPolarHBondContact OE1-CE 3.26Å; E205-K209 IonicContact OE1-NZ 3.14Å; E205-K209 PolarHBondContact OE1-NZ 2.82Å; K209-Y213 VanDerWaalsContact O-CB 3.26Å; K209-Y213 WeakPolarHBondContact O-CB 3.16Å; K209-Y213 PolarHBondContact O-N 2.91Å
210K35.9Very low33.3Very low95 Ų9588.6 Ų88.641%0.41344%0.438SS..Hα-helixtrans-68.1-39.3175.1-172175-175.61790112.3V206 I207 R214V206-K210 WeakPolarHBondContact O-CB 3.18Å; V206-K210 PolarHBondContact O-N 3.5Å; I207-K210 PolarHBondContact O-N 3.12Å; K210-R214 VanDerWaalsContact O-CB 3.3Å; K210-R214 WeakPolarHBondContact O-CB 3.42Å; K210-R214 PolarHBondContact O-N 2.72Å
211F31.4Very low33.5Very low139 Ų13984.4 Ų84.461%0.6142%0.416SS*.Hα-helixtrans-71.9-46.6175.8-111.6-102.4000111.8I207 L215I207-F211 HydrophobicContact CG2-CD2 4.41Å; I207-F211 VanDerWaalsContact O-CB 3.3Å; I207-F211 WeakPolarHBondContact O-CB 3.22Å; I207-F211 PolarHBondContact O-N 3.25Å; F211-L215 HydrophobicContact CB-CD1 4.48Å; F211-L215 HydrophobicContact CD1-CD1 3.43Å; F211-L215 VanDerWaalsContact CD1-CD1 3.43Å; F211-L215 HydrophobicContact CE1-CD1 3.87Å; F211-L215 HydrophobicContact CG-CD1 4.18Å; F211-L215 VanDerWaalsContact O-CB 3.3Å; F211-L215 WeakPolarHBondContact O-CB 3.33Å; F211-L215 WeakPolarHBondContact O-CD1 3.3Å; F211-L215 PolarHBondContact O-N 3.31Å
212S33.6Very low33.6Very low63 Ų6381 Ų8144%0.44140%0.398SS..Hα-helixtrans-68.4-40.5-178.9-79.20000113.2V208 I216V208-S212 VanDerWaalsContact O-CB 3.26Å; V208-S212 WeakPolarHBondContact O-CB 3.31Å; V208-S212 PolarHBondContact O-N 3.23Å; V208-S212 PolarHBondContact O-OG 3.34Å; S212-I216 VanDerWaalsContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CB 3.46Å; S212-I216 VanDerWaalsContact O-CD1 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.28Å; S212-I216 WeakPolarHBondContact O-CG1 3.45Å; S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 VanDerWaalsContact O-N 3.1Å
213Y33.4Very low33.5Very low159 Ų15976.9 Ų76.962%0.62438%0.377SS*.Hα-helixtrans-73.2-43.8179.7-175.2-98.4000111.9K209 V217K209-Y213 VanDerWaalsContact O-CB 3.26Å; K209-Y213 WeakPolarHBondContact O-CB 3.16Å; K209-Y213 PolarHBondContact O-N 2.91Å; Y213-V217 HydrophobicContact CD2-CG2 4.14Å; Y213-V217 HydrophobicContact CE1-CG2 4.37Å; Y213-V217 HydrophobicContact CE2-CG2 3.97Å; Y213-V217 HydrophobicContact CG-CG2 4.42Å; Y213-V217 WeakPolarHBondContact O-CG2 3.33Å; Y213-V217 PolarHBondContact O-N 2.99Å; Y213-V217 VanDerWaalsContact O-N 3.16Å
214R34Very low33.5Very low99 Ų9972.5 Ų72.537%0.37435%0.354SS..Hα-helixtrans-65.8-43.3176.4-78.3-176.4159.4-143.8-0.9112.5K210 N218 Y280K210-R214 VanDerWaalsContact O-CB 3.3Å; K210-R214 WeakPolarHBondContact O-CB 3.42Å; K210-R214 PolarHBondContact O-N 2.72Å; R214-N218 WeakPolarHBondContact O-CB 3.39Å; R214-N218 PolarHBondContact O-N 3.42Å; R214-Y280 PolarHBondContact NH2-OH 3.03Å
215L31.6Very low33.6Very low60 Ų6069.9 Ų69.931%0.31434%0.339SS..Hα-helixtrans-66.6-41.7178-93.798.7000112.8F211 W219F211-L215 HydrophobicContact CB-CD1 4.48Å; F211-L215 HydrophobicContact CD1-CD1 3.43Å; F211-L215 VanDerWaalsContact CD1-CD1 3.43Å; F211-L215 HydrophobicContact CE1-CD1 3.87Å; F211-L215 HydrophobicContact CG-CD1 4.18Å; F211-L215 VanDerWaalsContact O-CB 3.3Å; F211-L215 WeakPolarHBondContact O-CB 3.33Å; F211-L215 WeakPolarHBondContact O-CD1 3.3Å; F211-L215 PolarHBondContact O-N 3.31Å; L215-W219 WeakPolarHBondContact O-CA 3.23Å; L215-W219 WeakPolarHBondContact O-CB 3.39Å; L215-W219 PolarHBondContact O-N 2.95Å
216I32.1Very low33.6Very low103 Ų10367.3 Ų67.353%0.52833%0.327SS..Hα-helixtrans-71.3-37.9-176.1-68168.3000111.4S212 S220S212-I216 VanDerWaalsContact O-CB 3.28Å; S212-I216 WeakPolarHBondContact O-CB 3.46Å; S212-I216 VanDerWaalsContact O-CD1 3.28Å; S212-I216 WeakPolarHBondContact O-CD1 3.28Å; S212-I216 WeakPolarHBondContact O-CG1 3.45Å; S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 VanDerWaalsContact O-N 3.1Å; I216-S220 PolarHBondContact O-N 2.71Å; I216-S220 PolarHBondContact O-OG 2.89Å
217V33.9Very low33.8Very low32 Ų3264 Ų6419%0.19431%0.308CS..Hα-helixtrans-80.7-37.8-178.8-1610000111Y213 S220 V221 L620Y213-V217 HydrophobicContact CD2-CG2 4.14Å; Y213-V217 HydrophobicContact CE1-CG2 4.37Å; Y213-V217 HydrophobicContact CE2-CG2 3.97Å; Y213-V217 HydrophobicContact CG-CG2 4.42Å; Y213-V217 WeakPolarHBondContact O-CG2 3.33Å; Y213-V217 PolarHBondContact O-N 2.99Å; Y213-V217 VanDerWaalsContact O-N 3.16Å; V217-S220 PolarHBondContact O-N 3.2Å; V217-V221 VanDerWaalsContact O-CG2 3.3Å; V217-V221 WeakPolarHBondContact O-CG2 3.29Å; V217-V221 PolarHBondContact O-N 3.36Å; V217-V221 VanDerWaalsContact O-N 3.17Å; V217-L620 HydrophobicContact CB-CD1 3.63Å; V217-L620 HydrophobicContact CG1-CD1 3.18Å; V217-L620 HydrophobicContact CG1-CD2 3.69Å; V217-L620 HydrophobicContact CG1-CG 3.96Å
218N32.8Very low33.8Very low22 Ų2262 Ų6212%0.11830%0.3CS..Hα-helixtrans-69.7-31.4170.6-75.1-21000112.9R214 S220 V221 Q222 E518R214-N218 WeakPolarHBondContact O-CB 3.39Å; R214-N218 PolarHBondContact O-N 3.42Å; N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact O-N 2.82Å; N218-V221 PolarHBondContact O-N 2.82Å; N218-Q222 WeakPolarHBondContact O-CB 3.35Å; N218-Q222 PolarHBondContact O-N 2.74Å; N218-E518 PolarHBondContact ND2-OE1 3.49Å
219W32.1Very low33.9Very low89 Ų8959.6 Ų59.634%0.33729%0.291SS..Hα-helixtrans-58.6-41.8170.3173.377.2000112M1 L215 T223 L511M1-W219 HydrophobicContact CE-CZ2 3.6Å; M1-W219 HydrophobicContact SD-CZ2 4.36Å; L215-W219 WeakPolarHBondContact O-CA 3.23Å; L215-W219 WeakPolarHBondContact O-CB 3.39Å; L215-W219 PolarHBondContact O-N 2.95Å; W219-T223 VanDerWaalsContact O-CB 3.27Å; W219-T223 WeakPolarHBondContact O-CB 3.11Å; W219-T223 PolarHBondContact O-N 3.49Å; W219-T223 PolarHBondContact O-OG1 2.69Å; W219-L511 HydrophobicContact CB-CD2 4.48Å; W219-L511 HydrophobicContact CG-CD2 4.43Å
220S31.2Very low33.9Very low45 Ų4558.8 Ų58.832%0.31529%0.289SS..Hα-helixtrans-66.8-42.7178-55.10000111.1I216 V217 N218 L224I216-S220 PolarHBondContact O-N 2.71Å; I216-S220 PolarHBondContact O-OG 2.89Å; V217-S220 PolarHBondContact O-N 3.2Å; N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact O-N 2.82Å; S220-L224 WeakPolarHBondContact O-CB 3.37Å; S220-L224 VanDerWaalsContact O-CD1 3.29Å; S220-L224 WeakPolarHBondContact O-CD1 3.41Å; S220-L224 WeakPolarHBondContact O-CG 3.36Å; S220-L224 PolarHBondContact O-N 3.26Å
221V36.7Very low33.6Very low5 Ų561 Ų613%0.0331%0.306CS..Hα-helixtrans-78.7-38.4-173.8171.60000114V217 N218 L224 K225 I615 S616 M619V217-V221 VanDerWaalsContact O-CG2 3.3Å; V217-V221 WeakPolarHBondContact O-CG2 3.29Å; V217-V221 PolarHBondContact O-N 3.36Å; V217-V221 VanDerWaalsContact O-N 3.17Å; N218-V221 PolarHBondContact O-N 2.82Å; V221-L224 WeakPolarHBondContact O-CB 3.3Å; V221-L224 PolarHBondContact O-N 3.11Å; V221-K225 PolarHBondContact O-N 3.37Å; V221-K225 VanDerWaalsContact O-N 3.1Å; V221-I615 HydrophobicContact CG1-CG2 4.42Å; V221-I615 WeakPolarHBondContact O-CG2 3.45Å; V221-S616 WeakPolarHBondContact CG1-O 3.32Å; V221-M619 HydrophobicContact CB-SD 3.99Å; V221-M619 HydrophobicContact CG1-CG 4.03Å; V221-M619 HydrophobicContact CG1-SD 3.42Å; V221-M619 WeakPolarHBondContact CG1-SD 3.32Å; V221-M619 HydrophobicContact CG2-CE 3.98Å; V221-M619 HydrophobicContact CG2-CG 3.98Å; V221-M619 HydrophobicContact CG2-SD 3.33Å; V221-M619 WeakPolarHBondContact CG2-SD 3.38Å
222Q36Very low33.7Very low28 Ų2865.5 Ų65.513%0.13132%0.319CS..Hα-helixtrans-78.3-33.6178.2-83.9172.4-19.800113.1N218 L224 K225 Q226 P617N218-Q222 WeakPolarHBondContact O-CB 3.35Å; N218-Q222 PolarHBondContact O-N 2.74Å; Q222-L224 PolarHBondContact O-N 3.43Å; Q222-K225 PolarHBondContact O-N 3.04Å; Q222-Q226 PolarHBondContact O-N 3.05Å; Q222-Q226 VanDerWaalsContact O-N 3.14Å; Q222-P617 HydrophobicContact CG-CG 4.49Å
223T33.7Very low33.4Very low13 Ų1369 Ų698%0.0833%0.333CS..Hα-helixtrans-60.3-35.9170.7-53.80000110.1W219 I499 V500W219-T223 VanDerWaalsContact O-CB 3.27Å; W219-T223 WeakPolarHBondContact O-CB 3.11Å; W219-T223 PolarHBondContact O-N 3.49Å; W219-T223 PolarHBondContact O-OG1 2.69Å; T223-I499 HydrophobicContact CG2-CG2 4.26Å; T223-I499 VanDerWaalsContact O-CG2 3.23Å; T223-I499 WeakPolarHBondContact O-CG2 3.33Å; T223-V500 HydrophobicContact CG2-CG2 4Å
224L33.5Very low33.1Very low4 Ų468.5 Ų68.52%0.02134%0.34CS..Hα-helixtrans-69.5-40.7174.9-91.3163.6000113.8S220 V221 Q222 S227 V228 L492 R495 I496 I499 I615S220-L224 WeakPolarHBondContact O-CB 3.37Å; S220-L224 VanDerWaalsContact O-CD1 3.29Å; S220-L224 WeakPolarHBondContact O-CD1 3.41Å; S220-L224 WeakPolarHBondContact O-CG 3.36Å; S220-L224 PolarHBondContact O-N 3.26Å; V221-L224 WeakPolarHBondContact O-CB 3.3Å; V221-L224 PolarHBondContact O-N 3.11Å; Q222-L224 PolarHBondContact O-N 3.43Å; L224-S227 PolarHBondContact O-N 3.19Å; L224-V228 PolarHBondContact O-N 3.44Å; L224-L492 HydrophobicContact CD1-CD1 3.51Å; L224-L492 HydrophobicContact CD1-CD2 4.44Å; L224-L492 HydrophobicContact CD1-CG 4.06Å; L224-L492 HydrophobicContact CD2-CD1 4.05Å; L224-L492 HydrophobicContact CG-CD1 4.43Å; L224-R495 HydrophobicContact CD2-CB 4.39Å; L224-I496 HydrophobicContact CD1-CD1 3.66Å; L224-I496 HydrophobicContact CD1-CG1 3.39Å; L224-I496 HydrophobicContact CD2-CB 4.21Å; L224-I496 HydrophobicContact CD2-CD1 4.43Å; L224-I496 HydrophobicContact CD2-CG1 3.31Å; L224-I496 HydrophobicContact CG-CB 4.48Å; L224-I496 HydrophobicContact CG-CD1 4.21Å; L224-I496 HydrophobicContact CG-CG1 3.36Å; L224-I499 HydrophobicContact CD2-CD1 3.55Å; L224-I615 HydrophobicContact CB-CB 4.23Å; L224-I615 HydrophobicContact CB-CD1 3.81Å; L224-I615 HydrophobicContact CB-CG1 3.94Å; L224-I615 HydrophobicContact CB-CG2 3.3Å; L224-I615 HydrophobicContact CD1-CD1 4.35Å; L224-I615 HydrophobicContact CD1-CG1 4.17Å; L224-I615 HydrophobicContact CD2-CD1 3.47Å; L224-I615 VanDerWaalsContact CD2-CD1 3.47Å; L224-I615 HydrophobicContact CD2-CG1 4.22Å; L224-I615 HydrophobicContact CG-CD1 4.08Å; L224-I615 HydrophobicContact CG-CG1 4.35Å; L224-I615 HydrophobicContact CG-CG2 4.47Å
225K36.7Very low32.8Very low32 Ų3274.6 Ų74.614%0.13936%0.363CS..Hα-helixtrans-78.3-33.9-174.6-157-177.8173.9-159.70113V221 Q222 S227 P524 D525 I615V221-K225 PolarHBondContact O-N 3.37Å; V221-K225 VanDerWaalsContact O-N 3.1Å; Q222-K225 PolarHBondContact O-N 3.04Å; K225-S227 PolarHBondContact O-N 3.23Å; K225-P524 HydrophobicContact CD-CB 3.92Å; K225-P524 HydrophobicContact CD-CG 4.29Å; K225-D525 IonicContact NZ-OD1 2.63Å; K225-D525 PolarHBondContact NZ-OD1 3.36Å; K225-I615 HydrophobicContact CB-CG2 3.77Å; K225-I615 HydrophobicContact CG-CG2 4.41Å
226Q35.7Very low32.6Very low45 Ų4579.6 Ų79.621%0.2139%0.385CS..THydrogen-bonded Turntrans-66.5-2.7175.7-87.2-168.7-20.400113.8Q222 T529Q222-Q226 PolarHBondContact O-N 3.05Å; Q222-Q226 VanDerWaalsContact O-N 3.14Å; Q226-T529 HydrophobicContact CB-CG2 4.08Å; Q226-T529 HydrophobicContact CG-CG2 4.41Å; Q226-T529 WeakPolarHBondContact CG-OG1 3.19Å; Q226-T529 VanDerWaalsContact O-CB 3.31Å; Q226-T529 WeakPolarHBondContact O-CB 3.35Å; Q226-T529 WeakPolarHBondContact O-CG2 3.47Å
227S36.3Very low32.2Very low11 Ų1181.7 Ų81.78%0.07740%0.398CS..THydrogen-bonded Turntrans-137.92-172.1-169.40000114.4L224 K225 I499 M531L224-S227 PolarHBondContact O-N 3.19Å; K225-S227 PolarHBondContact O-N 3.23Å; S227-I499 VanDerWaalsContact CB-CG1 3.43Å; S227-I499 WeakPolarHBondContact OG-CA 3.5Å; S227-I499 VanDerWaalsContact OG-CB 3.24Å; S227-I499 WeakPolarHBondContact OG-CB 3.43Å; S227-I499 WeakPolarHBondContact OG-CG1 3.38Å; S227-I499 WeakPolarHBondContact OG-CG2 3.47Å; S227-M531 VanDerWaalsContact CA-SD 3.57Å; S227-M531 VanDerWaalsContact CB-SD 3.6Å; S227-M531 WeakPolarHBondContact O-CE 3.38Å; S227-M531 WeakPolarHBondContact OG-CE 3.27Å; S227-M531 PolarHBondContact OG-SD 3.25Å
228V34.1Very low31.8Very low48 Ų4889.3 Ų89.329%0.29143%0.428SS..SBendtrans-109.599.2162.5-177.80000106.4L224 E230 I499 I615L224-V228 PolarHBondContact O-N 3.44Å; V228-E230 PolarHBondContact O-N 3.08Å; V228-I499 HydrophobicContact CG2-CD1 3.55Å; V228-I499 HydrophobicContact CG2-CG1 4.47Å; V228-I615 HydrophobicContact CG2-CD1 4Å
229G33.3Very low31.4Very low29 Ų2995 Ų9530%0.29946%0.458SS..  trans-54.3127.1162.100000108.1N231G229-N231 PolarHBondContact O-N 3.37Å; G229-N231 VanDerWaalsContact O-N 3.16Å
230E34.8Very low31Very low114 Ų11497.8 Ų97.853%0.53348%0.478SS..  trans-63.6117176.7-89.9-175.8170.200109.4V228 R232V228-E230 PolarHBondContact O-N 3.08Å; E230-R232 PolarHBondContact O-N 2.84Å
231N28.4Very low30.8Very low142 Ų142101.8 Ų101.876%0.75949%0.494SS*.  trans-6396.6170.5-123.2-16.5000109.1G229 N233G229-N231 PolarHBondContact O-N 3.37Å; G229-N231 VanDerWaalsContact O-N 3.16Å; N231-N233 PolarHBondContact O-N 3.14Å
232R33.3Very low30.2Very low232 Ų232106.8 Ų106.888%0.87553%0.529SS*.  trans-92.376.8176.3-143.1-177.1-162.1172.26.5109.7E230E230-R232 PolarHBondContact O-N 2.84Å
233N27.6Very low29.8Very low138 Ų138109.7 Ų109.774%0.73855%0.552SS**  trans-147.278.3163.9-99.2-24.6000111.2N231N231-N233 PolarHBondContact O-N 3.14Å
234N27.8Very low29.5Very low147 Ų147113.7 Ų113.779%0.78658%0.58SS**  trans-108.780.4150.7-100.6-6.3000108Q236N234-Q236 PolarHBondContact O-N 3.06Å
235R26.5Very low29.6Very low227 Ų227122.1 Ų122.186%0.85762%0.619SS**  trans-7179.2150.4-84.2-175.2180176.90.8106.9N237R235-N237 PolarHBondContact O-N 2.95Å
236Q29Very low29.2Very low165 Ų165129.3 Ų129.377%0.77165%0.65SS**  trans-71.3112.7157.1-106.6169.9-16.700106.3N234 K238N234-Q236 PolarHBondContact O-N 3.06Å; Q236-K238 PolarHBondContact O-N 3.45Å
237N23.6Very low29Very low148 Ų148136.5 Ų136.579%0.79168%0.677SS**  trans-49.3110.4167.8-78.2-22.3000107.9R235 L239R235-N237 PolarHBondContact O-N 2.95Å; N237-L239 PolarHBondContact O-N 3.21Å
238K25.8Very low29.4Very low192 Ų192139.8 Ų139.884%0.83569%0.694SS**  trans-69.982.9173.9-162.3177.4-171.5-1800107Q236 I240Q236-K238 PolarHBondContact O-N 3.45Å; K238-I240 HydrophobicContact CG-CG1 4.5Å; K238-I240 PolarHBondContact O-N 3.49Å; K238-I240 VanDerWaalsContact O-N 3.11Å
239L22.5Very low30Very low140 Ų140140.6 Ų140.673%0.73370%0.702SS**  trans-70.6102.8165-129.5115.5000105.7N237 I241N237-L239 PolarHBondContact O-N 3.21Å; L239-I241 VanDerWaalsContact C-N 3.29Å; L239-I241 HydrophobicContact CD2-CD1 4.32Å; L239-I241 HydrophobicContact CD2-CG1 4.01Å; L239-I241 PolarHBondContact O-N 3.31Å
240I25.4Very low30.8Very low148 Ų148144.4 Ų144.476%0.75971%0.714SS**  trans-68.294.4171.4-61172.7000105.8K238K238-I240 HydrophobicContact CG-CG1 4.5Å; K238-I240 PolarHBondContact O-N 3.49Å; K238-I240 VanDerWaalsContact O-N 3.11Å
241I26.7Very low31.9Very low130 Ų130146.6 Ų146.667%0.66772%0.718SS**  trans-90.8112.8164.3-59.9176.8000105.4L239 C243L239-I241 VanDerWaalsContact C-N 3.29Å; L239-I241 HydrophobicContact CD2-CD1 4.32Å; L239-I241 HydrophobicContact CD2-CG1 4.01Å; L239-I241 PolarHBondContact O-N 3.31Å; I241-C243 PolarHBondContact O-N 3.34Å
242S23.7Very low33.6Very low109 Ų109143.5 Ų143.576%0.76270%0.701SS**PPolyproline II helixtrans-62.3119.4171.957.40000109.5
243C28.5Very low35.1Very low90 Ų90138.4 Ų138.461%0.60869%0.687SS**PPolyproline II helixtrans-72.5137.3-178.5-74.10000113I241I241-C243 PolarHBondContact O-N 3.34Å
244S27.3Very low37.7Very low96 Ų96136.9 Ų136.967%0.67168%0.679SS**PPolyproline II helixtrans-89116.3165.8177.20000108.8K246S244-K246 PolarHBondContact O-N 3.13Å
245H35.6Very low40.6Very low182 Ų182131 Ų13184%0.84365%0.648SS**THydrogen-bonded Turntrans-69.39-164.3-92.7-81.1000117.8
246K26.9Very low43.5Very low182 Ų182122 Ų12279%0.79162%0.616SS**THydrogen-bonded Turntrans-113.7-10.8-171.6-149.8174.8-178.5-178.40115.2S244S244-K246 PolarHBondContact O-N 3.13Å
247Y31.5Very low46.4Very low197 Ų197117.7 Ų117.777%0.77360%0.6SS**SBendtrans-100.5-21-176.6-147.4-97000113.3
248D44.4Very low49.7Very low80 Ų80112.5 Ų112.543%0.42857%0.571SS.*Hα-helixtrans-75.6-30.6179.6-73.9-29.1000113L250 R251 D252D248-L250 VanDerWaalsContact C-N 3.33Å; D248-L250 PolarHBondContact O-N 2.87Å; D248-R251 PolarHBondContact O-N 3.38Å; D248-D252 VanDerWaalsContact O-CG 3.28Å; D248-D252 PolarHBondContact O-N 3.46Å; D248-D252 VanDerWaalsContact O-N 3.1Å
249S46.7Very low53Low65 Ų65103.7 Ų103.746%0.45553%0.533SS..Hα-helixtrans-67.1-27.5-174.264.50000115Q253S249-Q253 WeakPolarHBondContact O-CG 3.5Å; S249-Q253 PolarHBondContact O-N 3.36Å
250L50.2Low56.4Low108 Ų108101.4 Ų101.457%0.56552%0.519SS*.Hα-helixtrans-77.9-40.7177.9-78.5159.3000111.1D248 D252 Q253 D254D248-L250 VanDerWaalsContact C-N 3.33Å; D248-L250 PolarHBondContact O-N 2.87Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.06Å; L250-Q253 PolarHBondContact O-N 3.06Å; L250-D254 PolarHBondContact O-N 2.88Å; L250-D254 VanDerWaalsContact O-N 3.14Å
251R59.3Low59.7Low160 Ų16095.5 Ų95.560%0.60449%0.489SS*.Hα-helixtrans-69.5-32.4180-155.3176-171.4-177.41.1112.1D248 L255D248-R251 PolarHBondContact O-N 3.38Å; R251-L255 WeakPolarHBondContact O-CB 3.46Å; R251-L255 PolarHBondContact O-N 3.28Å; R251-L255 VanDerWaalsContact O-N 3.07Å
252D63.3Low63Low77 Ų7789.3 Ų89.341%0.41246%0.457SS..Hα-helixtrans-71-35175.2-70.1-19000112.3D248 L250 Q256D248-D252 VanDerWaalsContact O-CG 3.28Å; D248-D252 PolarHBondContact O-N 3.46Å; D248-D252 VanDerWaalsContact O-N 3.1Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.06Å; D252-Q256 WeakPolarHBondContact O-CB 3.28Å; D252-Q256 PolarHBondContact O-N 2.93Å
253Q65.2Low66.5Low126 Ų12684.6 Ų84.659%0.58942%0.424SS*.Hα-helixtrans-69.6-41.3175-76.9178.6-5.500112.4S249 L250 L255 Q256 T257S249-Q253 WeakPolarHBondContact O-CG 3.5Å; S249-Q253 PolarHBondContact O-N 3.36Å; L250-Q253 PolarHBondContact O-N 3.06Å; Q253-L255 VanDerWaalsContact C-N 3.35Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q253-T257 PolarHBondContact O-N 3.35Å; Q253-T257 VanDerWaalsContact O-N 3.11Å; Q253-T257 PolarHBondContact O-OG1 2.83Å
254D82.8Confident69.7Low106 Ų10681.6 Ų81.657%0.56740%0.402SS*.Hα-helixtrans-63.6-42174.9-68.3-23.4000111.1L250 T257 E258L250-D254 PolarHBondContact O-N 2.88Å; L250-D254 VanDerWaalsContact O-N 3.14Å; D254-T257 PolarHBondContact O-N 2.95Å; D254-E258 WeakPolarHBondContact O-CG 3.35Å; D254-E258 PolarHBondContact O-N 3.39Å
255L88Confident73Confident23 Ų2377.6 Ų77.612%0.1237%0.372CS..Hα-helixtrans-62.7-44.4176.9178.963.4000112.3R251 Q253 T257 E258 L259 L582 W604R251-L255 WeakPolarHBondContact O-CB 3.46Å; R251-L255 PolarHBondContact O-N 3.28Å; R251-L255 VanDerWaalsContact O-N 3.07Å; Q253-L255 VanDerWaalsContact C-N 3.35Å; L255-T257 VanDerWaalsContact C-N 3.34Å; L255-T257 PolarHBondContact O-N 3.48Å; L255-E258 PolarHBondContact O-N 3.18Å; L255-L259 HydrophobicContact CD1-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 4.13Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 2.79Å; L255-L582 HydrophobicContact CD1-CD1 3.41Å; L255-L582 VanDerWaalsContact CD1-CD1 3.41Å; L255-W604 HydrophobicContact CD1-CZ2 4.28Å
256Q87.4Confident75.9Confident39 Ų3968.9 Ų68.918%0.18233%0.332CS..Hα-helixtrans-62.6-42.5178.8-177.561.426.900111.7D252 Q253 E258 L259 E260D252-Q256 WeakPolarHBondContact O-CB 3.28Å; D252-Q256 PolarHBondContact O-N 2.93Å; Q253-Q256 PolarHBondContact O-N 3.47Å; Q256-E258 PolarHBondContact O-N 3.29Å; Q256-L259 WeakPolarHBondContact O-CB 3.49Å; Q256-L259 PolarHBondContact O-N 2.99Å; Q256-E260 PolarHBondContact NE2-OE1 2.78Å; Q256-E260 PolarHBondContact O-N 3.4Å
257T90.6Very high79.2Confident74 Ų7463.3 Ų63.345%0.45431%0.308SS..Hα-helixtrans-62.1-44.2177.3-53.70000111Q253 D254 L255 L259 E260 N261Q253-T257 PolarHBondContact O-N 3.35Å; Q253-T257 VanDerWaalsContact O-N 3.11Å; Q253-T257 PolarHBondContact O-OG1 2.83Å; D254-T257 PolarHBondContact O-N 2.95Å; L255-T257 VanDerWaalsContact C-N 3.34Å; L255-T257 PolarHBondContact O-N 3.48Å; T257-L259 VanDerWaalsContact C-N 3.33Å; T257-L259 PolarHBondContact O-N 3Å; T257-E260 PolarHBondContact O-N 2.97Å; T257-N261 WeakPolarHBondContact O-CB 3Å; T257-N261 PolarHBondContact O-N 3.48Å; T257-N261 PolarHBondContact O-ND2 2.9Å; T257-N261 PolarHBondContact O-OD1 2.84Å
258E92.8Very high82.3Confident38 Ų3854 Ų5418%0.17827%0.272CS..Hα-helixtrans-67.8-31.2177.3-69.6-60.8165.700113.1D254 L255 Q256 A262 Y450 W604D254-E258 WeakPolarHBondContact O-CG 3.35Å; D254-E258 PolarHBondContact O-N 3.39Å; L255-E258 PolarHBondContact O-N 3.18Å; Q256-E258 PolarHBondContact O-N 3.29Å; E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 3.09Å; E258-Y450 WeakPolarHBondContact OE2-CE1 3.37Å; E258-Y450 PolarHBondContact OE2-OH 3.4Å; E258-W604 HydrophobicContact CB-CH2 4.24Å; E258-W604 HydrophobicContact CB-CZ2 4.24Å; E258-W604 HydrophobicContact CG-CH2 4.19Å; E258-W604 HydrophobicContact CG-CZ2 4.13Å
259L93.8Very high84.7Confident7 Ų750.2 Ų50.24%0.03725%0.251CS..Hα-helixtrans-66-44173.4-79.9165.9000112.1L255 Q256 T257 A262 A263 L582 A602 L632 L635L255-L259 HydrophobicContact CD1-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 4.13Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 2.79Å; Q256-L259 WeakPolarHBondContact O-CB 3.49Å; Q256-L259 PolarHBondContact O-N 2.99Å; T257-L259 VanDerWaalsContact C-N 3.33Å; T257-L259 PolarHBondContact O-N 3Å; L259-A262 PolarHBondContact O-N 2.79Å; L259-A263 WeakPolarHBondContact O-CB 3.36Å; L259-A263 PolarHBondContact O-N 3.11Å; L259-L582 HydrophobicContact CD2-CD2 3.74Å; L259-L582 HydrophobicContact CG-CD2 4.26Å; L259-A602 HydrophobicContact CD1-CB 4.18Å; L259-A602 HydrophobicContact CD2-CB 3.87Å; L259-L632 HydrophobicContact CD2-CD2 4.05Å; L259-L635 HydrophobicContact CD2-CB 4.4Å; L259-L635 HydrophobicContact CD2-CD1 3.84Å
260E93.8Very high86.9Confident92 Ų9247.5 Ų47.543%0.4323%0.233SC..Hα-helixtrans-64.5-44176.9-72.5173.4-163.100111.3Q256 T257 A263 H264Q256-E260 PolarHBondContact NE2-OE1 2.78Å; Q256-E260 PolarHBondContact O-N 3.4Å; T257-E260 PolarHBondContact O-N 2.97Å; E260-A263 PolarHBondContact O-N 2.77Å; E260-H264 WeakPolarHBondContact O-CB 3.37Å; E260-H264 PolarHBondContact O-N 3.28Å
261N95.5Very high88.9Confident25 Ų2542.5 Ų42.513%0.13421%0.207CC..Hα-helixtrans-59.5-48.3173.1-67.3-17.6000111.2T257 A263 H264 Y265 W350 Y450T257-N261 WeakPolarHBondContact O-CB 3Å; T257-N261 PolarHBondContact O-N 3.48Å; T257-N261 PolarHBondContact O-ND2 2.9Å; T257-N261 PolarHBondContact O-OD1 2.84Å; N261-A263 PolarHBondContact O-N 2.75Å; N261-H264 PolarHBondContact O-N 2.87Å; N261-Y265 HydrophobicContact CB-CD2 4.22Å; N261-Y265 HydrophobicContact CB-CE2 3.98Å; N261-Y265 WeakPolarHBondContact O-CD2 3.47Å; N261-Y265 PolarHBondContact O-N 2.75Å; N261-W350 WeakPolarHBondContact OD1-CH2 3.47Å; N261-W350 WeakPolarHBondContact OD1-CZ3 3.3Å; N261-Y450 HydrophobicContact CB-CE1 3.76Å; N261-Y450 HydrophobicContact CB-CE2 4.36Å; N261-Y450 VanDerWaalsContact CB-OH 3.25Å; N261-Y450 WeakPolarHBondContact CB-OH 3.3Å; N261-Y450 PolarHBondContact ND2-OH 3.48Å; N261-Y450 VanDerWaalsContact ND2-OH 3.11Å
262A96.6Very high90.5Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-61.2-43.9179.400000112E258 L259 H264 Y265 M266 Y450 F452 V474 L632E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 3.09Å; L259-A262 PolarHBondContact O-N 2.79Å; A262-H264 VanDerWaalsContact C-N 3.31Å; A262-H264 PolarHBondContact O-N 3Å; A262-Y265 PolarHBondContact O-N 2.98Å; A262-M266 WeakPolarHBondContact O-CB 3.14Å; A262-M266 PolarHBondContact O-N 3.28Å; A262-Y450 HydrophobicContact CB-CD1 4.29Å; A262-F452 HydrophobicContact CB-CE1 4.13Å; A262-F452 HydrophobicContact CB-CZ 4.44Å; A262-F452 WeakPolarHBondContact O-CE1 3.38Å; A262-F452 WeakPolarHBondContact O-CZ 3.44Å; A262-V474 HydrophobicContact CB-CG2 3.95Å; A262-L632 HydrophobicContact CB-CD1 4.32Å; A262-L632 HydrophobicContact CB-CD2 3.86Å
263A95.7Very high91.6Very high9 Ų932.3 Ų32.37%0.07417%0.165CC..Hα-helixtrans-58.8-44.8176.300000111.5L259 E260 N261 L632L259-A263 WeakPolarHBondContact O-CB 3.36Å; L259-A263 PolarHBondContact O-N 3.11Å; E260-A263 PolarHBondContact O-N 2.77Å; N261-A263 PolarHBondContact O-N 2.75Å; A263-L632 HydrophobicContact CB-CB 3.94Å
264H96.3Very high92.6Very high28 Ų2826.4 Ų26.413%0.1314%0.138CC..Hα-helixtrans-63.4-53.2177.8-177.368.8000112.1E260 N261 A262 M266 Q267 F268 D347 W350E260-H264 WeakPolarHBondContact O-CB 3.37Å; E260-H264 PolarHBondContact O-N 3.28Å; N261-H264 PolarHBondContact O-N 2.87Å; A262-H264 VanDerWaalsContact C-N 3.31Å; A262-H264 PolarHBondContact O-N 3Å; H264-M266 VanDerWaalsContact C-N 3.35Å; H264-M266 PolarHBondContact O-N 3.26Å; H264-Q267 VanDerWaalsContact O-CB 3.26Å; H264-Q267 WeakPolarHBondContact O-CB 3.2Å; H264-Q267 PolarHBondContact O-N 2.83Å; H264-F268 AromaticContact CE1-CE2 3.59Å; H264-F268 AromaticContact NE2-CE2 3.46Å; H264-F268 WeakPolarHBondContact NE2-CE2 3.4Å; H264-F268 WeakPolarHBondContact O-CD2 3.44Å; H264-D347 IonicContact CD2-OD2 3.99Å; H264-D347 IonicContact CE1-OD2 2.8Å; H264-D347 PolarHBondContact CE1-OD2 2.72Å; H264-D347 IonicContact NE2-OD2 3.02Å; H264-D347 PolarHBondContact NE2-OD2 3.33Å; H264-W350 HydrophobicContact CB-CH2 4.45Å; H264-W350 HydrophobicContact CB-CZ2 3.86Å; H264-W350 AromaticContact CD2-CD1 3.76Å; H264-W350 AromaticContact CD2-CD2 3.88Å; H264-W350 AromaticContact CD2-CE2 3.64Å; H264-W350 AromaticContact CD2-CG 3.96Å; H264-W350 AromaticContact CD2-NE1 3.53Å; H264-W350 AromaticContact CE1-CD1 3.27Å; H264-W350 AromaticContact CE1-CE2 3.95Å; H264-W350 AromaticContact CE1-NE1 3.08Å; H264-W350 PolarHBondContact CE1-NE1 3.18Å; H264-W350 AromaticContact CG-CE2 3.61Å; H264-W350 AromaticContact CG-CZ2 3.78Å; H264-W350 AromaticContact CG-NE1 3.49Å; H264-W350 AromaticContact ND1-CD1 3.89Å; H264-W350 AromaticContact ND1-CE2 3.82Å; H264-W350 AromaticContact ND1-NE1 3.22Å; H264-W350 PolarHBondContact ND1-NE1 3.44Å; H264-W350 AromaticContact NE2-CD1 3.14Å; H264-W350 AromaticContact NE2-CE2 3.84Å; H264-W350 AromaticContact NE2-CG 3.61Å; H264-W350 AromaticContact NE2-NE1 3.26Å; H264-W350 PolarHBondContact NE2-NE1 3.38Å
265Y97.8Very high92.5Very high11 Ų1126 Ų264%0.04313%0.128CC..Hα-helixtrans-71.4-26.7-176.9-61.5-55.6000113.7N261 A262 Q267 F268 A269 V352 L354 V422 Y450N261-Y265 HydrophobicContact CB-CD2 4.22Å; N261-Y265 HydrophobicContact CB-CE2 3.98Å; N261-Y265 WeakPolarHBondContact O-CD2 3.47Å; N261-Y265 PolarHBondContact O-N 2.75Å; A262-Y265 PolarHBondContact O-N 2.98Å; Y265-Q267 PolarHBondContact O-N 3.17Å; Y265-F268 PolarHBondContact O-N 3.18Å; Y265-F268 VanDerWaalsContact O-N 3.12Å; Y265-A269 PolarHBondContact O-N 3.07Å; Y265-A269 VanDerWaalsContact O-N 3.08Å; Y265-V352 HydrophobicContact CE1-CG2 4.25Å; Y265-L354 HydrophobicContact CD1-CD1 3.62Å; Y265-L354 HydrophobicContact CE1-CD1 3.88Å; Y265-V422 HydrophobicContact CD1-CG1 3.99Å; Y265-V422 HydrophobicContact CD2-CG1 4.32Å; Y265-V422 HydrophobicContact CE1-CB 4.26Å; Y265-V422 HydrophobicContact CE1-CG1 3.84Å; Y265-V422 HydrophobicContact CE1-CG2 4.34Å; Y265-V422 HydrophobicContact CE2-CG1 4.2Å; Y265-V422 HydrophobicContact CG-CG1 4.24Å; Y265-Y450 HydrophobicContact CD2-CD1 4.15Å; Y265-Y450 AromaticContact CD2-CD2 3.14Å; Y265-Y450 HydrophobicContact CD2-CD2 3.14Å; Y265-Y450 HydrophobicContact CD2-CE1 4.29Å; Y265-Y450 AromaticContact CD2-CE2 3.31Å; Y265-Y450 HydrophobicContact CD2-CE2 3.31Å; Y265-Y450 AromaticContact CD2-CG 3.61Å; Y265-Y450 HydrophobicContact CD2-CG 3.61Å; Y265-Y450 AromaticContact CD2-CZ 3.92Å; Y265-Y450 AromaticContact CE2-CD2 3.62Å; Y265-Y450 HydrophobicContact CE2-CD2 3.62Å; Y265-Y450 AromaticContact CE2-CE2 3.3Å; Y265-Y450 HydrophobicContact CE2-CE2 3.3Å; Y265-Y450 HydrophobicContact CE2-CG 4.46Å; Y265-Y450 AromaticContact CE2-CZ 3.95Å; Y265-Y450 AromaticContact CG-CD2 3.91Å; Y265-Y450 HydrophobicContact CG-CD2 3.91Å; Y265-Y450 HydrophobicContact CG-CE2 4.44Å; Y265-Y450 HydrophobicContact CG-CG 4.24Å
266M96.6Very high92.1Very high0 Ų027 Ų270%014%0.136CC..Hα-helixtrans-59.9-33.8174-177.264.5-130.800111.7A262 H264 F268 A269 A270 H426 F452 P625 V628 L629 L632A262-M266 WeakPolarHBondContact O-CB 3.14Å; A262-M266 PolarHBondContact O-N 3.28Å; H264-M266 VanDerWaalsContact C-N 3.35Å; H264-M266 PolarHBondContact O-N 3.26Å; M266-F268 VanDerWaalsContact C-N 3.28Å; M266-F268 PolarHBondContact O-N 3.01Å; M266-A269 HydrophobicContact CE-CB 4.31Å; M266-A269 PolarHBondContact O-N 3.46Å; M266-A270 HydrophobicContact CE-CB 4.11Å; M266-A270 WeakPolarHBondContact O-CB 3.24Å; M266-A270 PolarHBondContact O-N 3.11Å; M266-H426 HydrophobicContact CE-CB 4.37Å; M266-F452 VanDerWaalsContact CA-CE2 3.45Å; M266-F452 HydrophobicContact CB-CD1 4.11Å; M266-F452 HydrophobicContact CB-CD2 4.42Å; M266-F452 HydrophobicContact CB-CE1 3.65Å; M266-F452 HydrophobicContact CB-CE2 3.96Å; M266-F452 HydrophobicContact CB-CZ 3.58Å; M266-F452 HydrophobicContact CG-CD1 4.21Å; M266-F452 HydrophobicContact CG-CE1 4.24Å; M266-F452 HydrophobicContact CG-CG 4.47Å; M266-F452 HydrophobicContact CG-CZ 4.49Å; M266-F452 VanDerWaalsContact N-CZ 3.29Å; M266-F452 HydrophobicContact SD-CB 3.57Å; M266-F452 VanDerWaalsContact SD-CB 3.57Å; M266-F452 HydrophobicContact SD-CD1 3.35Å; M266-F452 WeakPolarHBondContact SD-CD1 3.49Å; M266-F452 HydrophobicContact SD-CD2 3.62Å; M266-F452 HydrophobicContact SD-CE1 3.93Å; M266-F452 HydrophobicContact SD-CE2 4.14Å; M266-F452 HydrophobicContact SD-CG 3.2Å; M266-F452 WeakPolarHBondContact SD-CG 3.23Å; M266-F452 HydrophobicContact SD-CZ 4.3Å; M266-P625 HydrophobicContact CE-CB 3.54Å; M266-V628 HydrophobicContact CG-CG1 4.25Å; M266-V628 HydrophobicContact SD-CB 4.12Å; M266-V628 HydrophobicContact SD-CG1 3.75Å; M266-L629 HydrophobicContact CB-CD1 3.97Å; M266-L629 HydrophobicContact CG-CB 3.88Å; M266-L629 HydrophobicContact CG-CD1 3.91Å; M266-L629 HydrophobicContact CG-CG 4.46Å; M266-L632 HydrophobicContact CB-CD1 3.86Å; M266-L632 HydrophobicContact CG-CD1 4.09Å
267Q94.9Very high91.7Very high64 Ų6426.2 Ų26.230%0.29913%0.133SC..Hα-helixtrans-59-40.2176.6-171.9176.3-0.400111.6H264 Y265 A271 T320H264-Q267 VanDerWaalsContact O-CB 3.26Å; H264-Q267 WeakPolarHBondContact O-CB 3.2Å; H264-Q267 PolarHBondContact O-N 2.83Å; Y265-Q267 PolarHBondContact O-N 3.17Å; Q267-A271 WeakPolarHBondContact O-CB 3.47Å; Q267-A271 PolarHBondContact O-N 2.94Å; Q267-T320 HydrophobicContact CG-CG2 4.35Å; Q267-T320 VanDerWaalsContact CG-O 3.3Å; Q267-T320 WeakPolarHBondContact CG-O 3.26Å; Q267-T320 PolarHBondContact NE2-O 2.98Å
268F96.6Very high91Very high2 Ų223.6 Ų23.61%0.00912%0.115CC..Hα-helixtrans-77-38.7178.3-62.9-93.3000112.6H264 Y265 M266 A270 A271 A272 T321 L323 F343 L354 A356 T424H264-F268 AromaticContact CE1-CE2 3.59Å; H264-F268 AromaticContact NE2-CE2 3.46Å; H264-F268 WeakPolarHBondContact NE2-CE2 3.4Å; H264-F268 WeakPolarHBondContact O-CD2 3.44Å; Y265-F268 PolarHBondContact O-N 3.18Å; Y265-F268 VanDerWaalsContact O-N 3.12Å; M266-F268 VanDerWaalsContact C-N 3.28Å; M266-F268 PolarHBondContact O-N 3.01Å; F268-A270 VanDerWaalsContact C-N 3.26Å; F268-A270 PolarHBondContact O-N 3.34Å; F268-A271 WeakPolarHBondContact O-CB 3.42Å; F268-A271 PolarHBondContact O-N 2.83Å; F268-A271 VanDerWaalsContact O-N 3.16Å; F268-A272 PolarHBondContact O-N 3.46Å; F268-A272 VanDerWaalsContact O-N 3.09Å; F268-T321 HydrophobicContact CD1-CG2 3.5Å; F268-T321 VanDerWaalsContact CD1-CG2 3.5Å; F268-T321 HydrophobicContact CE1-CG2 3.76Å; F268-T321 HydrophobicContact CG-CG2 4.32Å; F268-L323 HydrophobicContact CE1-CD1 3.77Å; F268-L323 HydrophobicContact CE1-CG 4.26Å; F268-L323 HydrophobicContact CZ-CD1 4.45Å; F268-F343 HydrophobicContact CB-CZ 4.3Å; F268-F343 HydrophobicContact CD1-CE2 4.27Å; F268-F343 HydrophobicContact CD1-CZ 4.26Å; F268-L354 HydrophobicContact CB-CD2 3.36Å; F268-L354 HydrophobicContact CD1-CD2 3.2Å; F268-L354 HydrophobicContact CD2-CD2 3.61Å; F268-L354 HydrophobicContact CE1-CD2 3.78Å; F268-L354 HydrophobicContact CE2-CD2 4.15Å; F268-L354 HydrophobicContact CG-CD2 3.09Å; F268-L354 HydrophobicContact CZ-CD2 4.21Å; F268-A356 HydrophobicContact CB-CB 4.3Å; F268-T424 HydrophobicContact CB-CG2 4.2Å
269A96.1Very high90.2Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-58.8-40.2171.900000111.4Y265 M266 Y273 T424 H426 F452Y265-A269 PolarHBondContact O-N 3.07Å; Y265-A269 VanDerWaalsContact O-N 3.08Å; M266-A269 HydrophobicContact CE-CB 4.31Å; M266-A269 PolarHBondContact O-N 3.46Å; A269-Y273 WeakPolarHBondContact O-CD2 3.45Å; A269-T424 HydrophobicContact CB-CG2 4.4Å; A269-H426 HydrophobicContact CB-CB 4.3Å; A269-F452 HydrophobicContact CB-CD2 3.77Å; A269-F452 HydrophobicContact CB-CE2 4.15Å
270A92.6Very high89.1Confident9 Ų927.3 Ų27.37%0.07413%0.133CC..Hα-helixtrans-68.1-43.5172.300000111.9M266 F268 A272 Y273 L277 P625M266-A270 HydrophobicContact CE-CB 4.11Å; M266-A270 WeakPolarHBondContact O-CB 3.24Å; M266-A270 PolarHBondContact O-N 3.11Å; F268-A270 VanDerWaalsContact C-N 3.26Å; F268-A270 PolarHBondContact O-N 3.34Å; A270-A272 PolarHBondContact O-N 3.33Å; A270-Y273 WeakPolarHBondContact O-CB 3.33Å; A270-Y273 WeakPolarHBondContact O-CD2 3.38Å; A270-Y273 PolarHBondContact O-N 2.97Å; A270-Y273 VanDerWaalsContact O-N 3.12Å; A270-L277 HydrophobicContact CB-CD2 3.97Å; A270-L277 WeakPolarHBondContact O-CD2 3.39Å; A270-P625 HydrophobicContact CB-CB 4.13Å
271A92.2Very high88Confident2 Ų225.4 Ų25.42%0.01713%0.13CC..Hα-helixtrans-57.3-34.2179.900000112.8Q267 F268 Y273 G274 I317 T320 T321 F343Q267-A271 WeakPolarHBondContact O-CB 3.47Å; Q267-A271 PolarHBondContact O-N 2.94Å; F268-A271 WeakPolarHBondContact O-CB 3.42Å; F268-A271 PolarHBondContact O-N 2.83Å; F268-A271 VanDerWaalsContact O-N 3.16Å; A271-Y273 PolarHBondContact O-N 2.72Å; A271-G274 PolarHBondContact O-N 2.7Å; A271-I317 HydrophobicContact CB-CG2 4.43Å; A271-I317 VanDerWaalsContact O-CG1 3.28Å; A271-I317 WeakPolarHBondContact O-CG1 3.45Å; A271-T320 HydrophobicContact CB-CG2 3.8Å; A271-T321 HydrophobicContact CB-CG2 3.62Å; A271-F343 HydrophobicContact CB-CE1 4.45Å; A271-F343 HydrophobicContact CB-CZ 4.41Å
272A92.3Very high86.7Confident7 Ų727 Ų276%0.05814%0.138CC..THydrogen-bonded Turntrans-56.6-23.5179.100000113.9F268 A270 G274 F343 R358F268-A272 PolarHBondContact O-N 3.46Å; F268-A272 VanDerWaalsContact O-N 3.09Å; A270-A272 PolarHBondContact O-N 3.33Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 2.96Å; A272-F343 HydrophobicContact CB-CD1 4.4Å; A272-F343 HydrophobicContact CB-CE1 3.96Å; A272-R358 HydrophobicContact CB-CB 4.06Å; A272-R358 HydrophobicContact CB-CG 4.48Å; A272-R358 VanDerWaalsContact O-CG 3.32Å; A272-R358 WeakPolarHBondContact O-CG 3.32Å
273Y86.9Confident84.8Confident16 Ų1631.8 Ų31.86%0.06316%0.163CC..THydrogen-bonded Turntrans-72.1-20.7175.3-73.2-99.9000113.7A269 A270 A271 P276 L277 G359 L361 H426 P625A269-Y273 WeakPolarHBondContact O-CD2 3.45Å; A270-Y273 WeakPolarHBondContact O-CB 3.33Å; A270-Y273 WeakPolarHBondContact O-CD2 3.38Å; A270-Y273 PolarHBondContact O-N 2.97Å; A270-Y273 VanDerWaalsContact O-N 3.12Å; A271-Y273 PolarHBondContact O-N 2.72Å; Y273-P276 WeakPolarHBondContact O-CD 3.37Å; Y273-L277 HydrophobicContact CD2-CD2 3.93Å; Y273-L277 HydrophobicContact CG-CB 4.3Å; Y273-L277 HydrophobicContact CG-CD2 3.87Å; Y273-G359 VanDerWaalsContact OH-CA 3.3Å; Y273-G359 WeakPolarHBondContact OH-CA 3.26Å; Y273-L361 HydrophobicContact CD1-CD1 3.33Å; Y273-L361 HydrophobicContact CD1-CD2 3.72Å; Y273-L361 HydrophobicContact CD1-CG 3.37Å; Y273-L361 HydrophobicContact CE1-CD1 4.19Å; Y273-L361 HydrophobicContact CE1-CD2 4.24Å; Y273-L361 HydrophobicContact CE1-CG 3.8Å; Y273-L361 HydrophobicContact CG-CD1 3.93Å; Y273-L361 HydrophobicContact CG-CG 4.42Å; Y273-L361 WeakPolarHBondContact O-CD1 3.23Å; Y273-H426 HydrophobicContact CE2-CB 4.15Å; Y273-H426 AromaticContact CE2-ND1 3.99Å; Y273-H426 AromaticContact CZ-ND1 3.74Å; Y273-H426 PolarHBondContact OH-ND1 3.3Å; Y273-P625 HydrophobicContact CE2-CG 4.07Å
274G86.3Confident83Confident3 Ų340.6 Ų40.63%0.03120%0.2CC..  trans67.8-151.5-18000000114.3A271 A272 L277 Y278 S316A271-G274 PolarHBondContact O-N 2.7Å; A272-G274 VanDerWaalsContact C-N 3.29Å; A272-G274 PolarHBondContact O-N 2.96Å; G274-L277 PolarHBondContact O-N 2.87Å; G274-Y278 PolarHBondContact O-N 3.35Å; G274-S316 WeakPolarHBondContact CA-OG 3.13Å
275W80.7Confident81.3Confident96 Ų9642.4 Ų42.436%0.36421%0.213SC..Hα-helixtrans-60.9-32.6-168.578.6-95.1000115.1L277 Y278 V279 L290 C312 H313 S316W275-L277 VanDerWaalsContact C-N 3.33Å; W275-L277 PolarHBondContact O-N 3.49Å; W275-Y278 PolarHBondContact O-N 3.45Å; W275-V279 HydrophobicContact CE3-CB 4.46Å; W275-V279 HydrophobicContact CE3-CG2 3.87Å; W275-V279 HydrophobicContact CZ3-CG2 4.41Å; W275-V279 WeakPolarHBondContact O-CB 3.44Å; W275-V279 WeakPolarHBondContact O-CG2 3.49Å; W275-V279 PolarHBondContact O-N 2.89Å; W275-L290 HydrophobicContact CB-CD2 4.29Å; W275-C312 HydrophobicContact CB-CB 4.36Å; W275-C312 HydrophobicContact CG-CB 4.32Å; W275-H313 AromaticContact CD1-CD2 3.57Å; W275-H313 AromaticContact CD1-CE1 3.46Å; W275-H313 VanDerWaalsContact CD1-CE1 3.46Å; W275-H313 AromaticContact CD1-CG 3.79Å; W275-H313 AromaticContact CD1-ND1 3.73Å; W275-H313 AromaticContact CD1-NE2 3.33Å; W275-H313 VanDerWaalsContact CD1-NE2 3.33Å; W275-H313 AromaticContact NE1-CD2 3.83Å; W275-H313 AromaticContact NE1-CE1 3.59Å; W275-H313 AromaticContact NE1-NE2 3.21Å; W275-H313 PolarHBondContact NE1-NE2 3.33Å; W275-S316 WeakPolarHBondContact CA-OG 3.31Å; W275-S316 PolarHBondContact N-OG 3.19Å
276P78.8Confident79.6Confident44 Ų4441.9 Ų41.929%0.28621%0.211SC..Hα-helixtrans-60.4-43.3179.4-24.736.1000112.2Y273 Y280Y273-P276 WeakPolarHBondContact O-CD 3.37Å; P276-Y280 VanDerWaalsContact O-CB 3.3Å; P276-Y280 WeakPolarHBondContact O-CB 3.47Å; P276-Y280 PolarHBondContact O-N 2.79Å; P276-Y280 VanDerWaalsContact O-N 3.08Å
277L78.9Confident77.8Confident23 Ų2345.4 Ų45.412%0.1223%0.234CC..Hα-helixtrans-73-40.3176.8-174.467.4000111A270 Y273 G274 W275 V279 Y280 S281 P625A270-L277 HydrophobicContact CB-CD2 3.97Å; A270-L277 WeakPolarHBondContact O-CD2 3.39Å; Y273-L277 HydrophobicContact CD2-CD2 3.93Å; Y273-L277 HydrophobicContact CG-CB 4.3Å; Y273-L277 HydrophobicContact CG-CD2 3.87Å; G274-L277 PolarHBondContact O-N 2.87Å; W275-L277 VanDerWaalsContact C-N 3.33Å; W275-L277 PolarHBondContact O-N 3.49Å; L277-V279 VanDerWaalsContact C-N 3.35Å; L277-V279 PolarHBondContact O-N 2.78Å; L277-Y280 HydrophobicContact CD1-CD1 4.22Å; L277-Y280 WeakPolarHBondContact O-CB 3.28Å; L277-Y280 PolarHBondContact O-N 3.26Å; L277-Y280 VanDerWaalsContact O-N 3.13Å; L277-S281 PolarHBondContact O-N 3.43Å; L277-S281 PolarHBondContact O-OG 3.21Å; L277-P625 HydrophobicContact CD1-CG 4.38Å; L277-P625 HydrophobicContact CD2-CB 3.88Å; L277-P625 HydrophobicContact CD2-CG 3.99Å
278Y75.3Confident76.1Confident19 Ų1947 Ų478%0.07525%0.251CS..Hα-helixtrans-58-45.4177.5-175.2-88.4000112.5G274 W275 S281 N282 A286 L290 Q319 T320G274-Y278 PolarHBondContact O-N 3.35Å; W275-Y278 PolarHBondContact O-N 3.45Å; Y278-S281 PolarHBondContact O-N 2.91Å; Y278-N282 WeakPolarHBondContact O-CB 3.22Å; Y278-N282 PolarHBondContact O-N 3.02Å; Y278-N282 PolarHBondContact O-ND2 3.37Å; Y278-A286 HydrophobicContact CD1-CB 3.84Å; Y278-A286 HydrophobicContact CE1-CB 3.8Å; Y278-L290 HydrophobicContact CD1-CD1 3.31Å; Y278-L290 HydrophobicContact CD1-CG 4.3Å; Y278-L290 HydrophobicContact CE1-CD1 3.6Å; Y278-L290 HydrophobicContact CE1-CG 4.26Å; Y278-L290 HydrophobicContact CG-CD1 4.34Å; Y278-Q319 HydrophobicContact CE2-CB 3.8Å; Y278-T320 WeakPolarHBondContact CD2-OG1 3.5Å
279V76.4Confident74.4Confident47 Ų4752 Ų5229%0.28527%0.273SS..Hα-helixtrans-66.8-39.4175.9172.90000111.1W275 L277 S281 N282 L283 A286 L290W275-V279 HydrophobicContact CE3-CB 4.46Å; W275-V279 HydrophobicContact CE3-CG2 3.87Å; W275-V279 HydrophobicContact CZ3-CG2 4.41Å; W275-V279 WeakPolarHBondContact O-CB 3.44Å; W275-V279 WeakPolarHBondContact O-CG2 3.49Å; W275-V279 PolarHBondContact O-N 2.89Å; L277-V279 VanDerWaalsContact C-N 3.35Å; L277-V279 PolarHBondContact O-N 2.78Å; V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3.02Å; V279-N282 CarbonylContact O-C 2.89Å; V279-N282 PolarHBondContact O-N 3.04Å; V279-L283 PolarHBondContact O-N 2.93Å; V279-A286 HydrophobicContact CB-CB 4.29Å; V279-A286 HydrophobicContact CG2-CB 3.91Å; V279-L290 HydrophobicContact CG2-CD1 3.9Å
280Y71.7Confident72.8Confident77 Ų7752.7 Ų52.730%0.30228%0.276SS..Hα-helixtrans-61.4-40.4176177.4-94000112.6R214 P276 L277 L283R214-Y280 PolarHBondContact NH2-OH 3.03Å; P276-Y280 VanDerWaalsContact O-CB 3.3Å; P276-Y280 WeakPolarHBondContact O-CB 3.47Å; P276-Y280 PolarHBondContact O-N 2.79Å; P276-Y280 VanDerWaalsContact O-N 3.08Å; L277-Y280 HydrophobicContact CD1-CD1 4.22Å; L277-Y280 WeakPolarHBondContact O-CB 3.28Å; L277-Y280 PolarHBondContact O-N 3.26Å; L277-Y280 VanDerWaalsContact O-N 3.13Å; Y280-L283 WeakPolarHBondContact O-CD1 3.48Å
281S70.8Confident71.1Confident52 Ų5255.6 Ų55.636%0.36430%0.296SS..Hα-helixtrans-81.2-19.8179.5-580000113.4L277 Y278 V279L277-S281 PolarHBondContact O-N 3.43Å; L277-S281 PolarHBondContact O-OG 3.21Å; Y278-S281 PolarHBondContact O-N 2.91Å; V279-S281 VanDerWaalsContact C-N 3.34Å; V279-S281 PolarHBondContact O-N 3.02Å
282N66.8Low69.3Low58 Ų5864.1 Ų64.131%0.3133%0.328SS..  trans-129.553.7-172.9-62.4-83.7000113Y278 V279 F284 T285 A286Y278-N282 WeakPolarHBondContact O-CB 3.22Å; Y278-N282 PolarHBondContact O-N 3.02Å; Y278-N282 PolarHBondContact O-ND2 3.37Å; V279-N282 CarbonylContact O-C 2.89Å; V279-N282 PolarHBondContact O-N 3.04Å; N282-F284 VanDerWaalsContact C-N 3.28Å; N282-F284 PolarHBondContact O-N 2.9Å; N282-T285 PolarHBondContact O-N 3.21Å; N282-A286 HydrophobicContact CB-CB 3.98Å; N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.38Å
283L58.3Low67.6Low100 Ų10066.4 Ų66.452%0.52434%0.339SS..THydrogen-bonded Turntrans-49-40.9-171-97.484.3000115.5V279 Y280V279-L283 PolarHBondContact O-N 2.93Å; Y280-L283 WeakPolarHBondContact O-CD1 3.48Å
284F57.4Low66.1Low195 Ų19566.4 Ų66.486%0.85534%0.341SS*.THydrogen-bonded Turntrans-93-17.6-171-61.4-72.2000114.1N282N282-F284 VanDerWaalsContact C-N 3.28Å; N282-F284 PolarHBondContact O-N 2.9Å
285T60.8Low64.3Low65 Ų6571.6 Ų71.640%0.39938%0.376SS..THydrogen-bonded Turntrans-117.7-21.1-173.956.60000113.1N282 C288 K289N282-T285 PolarHBondContact O-N 3.21Å; T285-C288 PolarHBondContact O-N 3.41Å; T285-K289 PolarHBondContact O-N 3.36Å
286A60.8Low62.7Low0 Ų076.1 Ų76.10%039%0.393CS..Hα-helixtrans-61.4-45.7-176.800000114.5Y278 V279 N282 C288 K289 L290Y278-A286 HydrophobicContact CD1-CB 3.84Å; Y278-A286 HydrophobicContact CE1-CB 3.8Å; V279-A286 HydrophobicContact CB-CB 4.29Å; V279-A286 HydrophobicContact CG2-CB 3.91Å; N282-A286 HydrophobicContact CB-CB 3.98Å; N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.38Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.19Å; A286-K289 PolarHBondContact O-N 2.79Å; A286-L290 HydrophobicContact CB-CD1 4.2Å; A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 3.05Å
287P59.6Low61.1Low74 Ų7477.2 Ų77.248%0.48140%0.399SS..Hα-helixtrans-62.8-33.4-178.3-20.232000112.5S291P287-S291 WeakPolarHBondContact O-CB 3.45Å; P287-S291 PolarHBondContact O-N 2.93Å; P287-S291 VanDerWaalsContact O-N 3.08Å; P287-S291 PolarHBondContact O-OG 2.95Å
288C59Low59.5Low98 Ų9887.3 Ų87.366%0.66244%0.435SS*.Hα-helixtrans-77-34.1180-63.40000112.8T285 A286 S291T285-C288 PolarHBondContact O-N 3.41Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.19Å; C288-S291 PolarHBondContact O-OG 2.74Å
289K61.2Low57.9Low107 Ų10791.3 Ų91.347%0.46547%0.472SS..Hα-helixtrans-79-41.7178.1-71.1-175.5176.4-175.10112.3T285 A286T285-K289 PolarHBondContact O-N 3.36Å; A286-K289 PolarHBondContact O-N 2.79Å
290L62.5Low56.3Low14 Ų1491.5 Ų91.57%0.07348%0.479CS..Hα-helixtrans-74.9-38.2178.7-86.1142.1000113.1W275 Y278 V279 A286 R292 D293 C294 C312W275-L290 HydrophobicContact CB-CD2 4.29Å; Y278-L290 HydrophobicContact CD1-CD1 3.31Å; Y278-L290 HydrophobicContact CD1-CG 4.3Å; Y278-L290 HydrophobicContact CE1-CD1 3.6Å; Y278-L290 HydrophobicContact CE1-CG 4.26Å; Y278-L290 HydrophobicContact CG-CD1 4.34Å; V279-L290 HydrophobicContact CG2-CD1 3.9Å; A286-L290 HydrophobicContact CB-CD1 4.2Å; A286-L290 WeakPolarHBondContact O-CB 3.48Å; A286-L290 PolarHBondContact O-N 3.05Å; L290-R292 PolarHBondContact O-N 3.3Å; L290-D293 PolarHBondContact O-N 3.5Å; L290-C294 WeakPolarHBondContact O-CB 3.32Å; L290-C294 PolarHBondContact O-N 3.45Å; L290-C294 PolarHBondContact O-SG 3.2Å; L290-C312 HydrophobicContact CD2-CB 4.24Å
291S57.3Low55.1Low70 Ų7097.3 Ų97.349%0.4951%0.509SS..Hα-helixtrans-62.8-27.3-176.455.80000114.2P287 C288P287-S291 WeakPolarHBondContact O-CB 3.45Å; P287-S291 PolarHBondContact O-N 2.93Å; P287-S291 VanDerWaalsContact O-N 3.08Å; P287-S291 PolarHBondContact O-OG 2.95Å; C288-S291 PolarHBondContact O-OG 2.74Å
292R54.5Low54.3Low181 Ų181102.2 Ų102.268%0.68352%0.52SS*.Hα-helixtrans-77.1-32.8-179.7-165.8174177.7178.7-2.3112.9L290L290-R292 PolarHBondContact O-N 3.3Å
293D55.2Low53.7Low56 Ų56105.3 Ų105.330%0.29954%0.537SS..Hα-helixtrans-99.2-36.6-175.5-68.5-18.3000112.3L290 C295 R296 T297L290-D293 PolarHBondContact O-N 3.5Å; D293-C295 PolarHBondContact O-N 3.38Å; D293-R296 PolarHBondContact O-N 3.46Å; D293-R296 VanDerWaalsContact O-N 3.14Å; D293-T297 PolarHBondContact O-OG1 2.93Å; D293-T297 VanDerWaalsContact O-OG1 3.08Å
294C56.3Low54Low15 Ų15103.3 Ų103.310%0.10153%0.526CS..Hα-helixtrans-58-31174.7-74.40000113.4L290 L310 C312L290-C294 WeakPolarHBondContact O-CB 3.32Å; L290-C294 PolarHBondContact O-N 3.45Å; L290-C294 PolarHBondContact O-SG 3.2Å; C294-L310 CarbonylContact C-O 3.57Å; C294-L310 WeakPolarHBondContact CA-O 3.17Å; C294-C312 HydrophobicContact CB-CB 4.4Å; C294-C312 WeakPolarHBondContact CB-SG 3.27Å; C294-C312 WeakPolarHBondContact SG-CA 3.4Å; C294-C312 WeakPolarHBondContact SG-CB 2.95Å; C294-C312 CovalentContact SG-SG 2.04Å; C294-C312 PolarHBondContact SG-SG 2.65Å
295C48.2Very low54.2Low112 Ų11296.8 Ų96.876%0.75750%0.502SS*.THydrogen-bonded Turntrans-93.4-2.7-178.6-65.20000113.9D293D293-C295 PolarHBondContact O-N 3.38Å
296R47.7Very low53.9Low192 Ų19295.7 Ų95.773%0.72550%0.504SS*.THydrogen-bonded Turntrans-111.8-14.7-171.6-102.2-177.6166.7-168.7-5.1115.4D293 R298D293-R296 PolarHBondContact O-N 3.46Å; D293-R296 VanDerWaalsContact O-N 3.14Å; R296-R298 PolarHBondContact O-N 3.32Å
297T44.5Very low53.6Low66 Ų6697.4 Ų97.441%0.40552%0.522SS..  trans-81.1103-177.4-6.20000110.7D293 A299D293-T297 PolarHBondContact O-OG1 2.93Å; D293-T297 VanDerWaalsContact O-OG1 3.08Å; T297-A299 PolarHBondContact O-N 3.08Å
298R44.6Very low53.7Low235 Ų23595.1 Ų95.189%0.88751%0.506SS*.  trans-54.7128.5148.8-82.6-179.2174.2175.2-2.2106.2R296 A300R296-R298 PolarHBondContact O-N 3.32Å; R298-A300 PolarHBondContact O-N 2.89Å
299A43.3Very low53.4Low103 Ų10398.4 Ų98.485%0.85151%0.511SS*.  trans-48.9105.8173.600000108.4T297T297-A299 PolarHBondContact O-N 3.08Å
300A41.6Very low53.1Low52 Ų5299.8 Ų99.843%0.4352%0.523SS..  trans-73.5138.1168.700000106.9R298 Y302R298-A300 PolarHBondContact O-N 2.89Å; A300-Y302 VanDerWaalsContact C-N 3.27Å; A300-Y302 HydrophobicContact CB-CD2 3.49Å; A300-Y302 VanDerWaalsContact CB-CD2 3.49Å; A300-Y302 HydrophobicContact CB-CE2 3.27Å; A300-Y302 PolarHBondContact O-N 2.82Å
301E46Very low53.2Low199 Ų19999.9 Ų99.993%0.9353%0.527SS*.SBendtrans-68.880-176.1-164.5172.5-155.900109.6
302Y53.8Low54Low154 Ų15497.8 Ų97.860%0.60451%0.513SS*.SBendtrans-132.2153.4175.6-60-66.9000109.1A300 I304A300-Y302 VanDerWaalsContact C-N 3.27Å; A300-Y302 HydrophobicContact CB-CD2 3.49Å; A300-Y302 VanDerWaalsContact CB-CD2 3.49Å; A300-Y302 HydrophobicContact CB-CE2 3.27Å; A300-Y302 PolarHBondContact O-N 2.82Å; Y302-I304 PolarHBondContact O-N 3.23Å
303D55.7Low55.2Low123 Ų12391.9 Ų91.966%0.65849%0.492SS*.  trans-71.459.7-177.4-72.4-30.2000112.7V305D303-V305 PolarHBondContact O-N 3.03Å
304I64.1Low56.6Low58 Ų5890 Ų9030%0.29748%0.482SS..EExtended strand (participates in β ladder)trans-81105170.9-58.5175.4000107.8Y302 D308 F314 V331 F333Y302-I304 PolarHBondContact O-N 3.23Å; I304-D308 HydrophobicContact CG2-CB 4.38Å; I304-F314 HydrophobicContact CD1-CD1 4.4Å; I304-V331 WeakPolarHBondContact CA-O 3.4Å; I304-F333 HydrophobicContact CG2-CD2 3.93Å; I304-F333 HydrophobicContact CG2-CE2 3.87Å
305V60.8Low57.8Low58 Ų5889.5 Ų89.535%0.35248%0.478SS..EExtended strand (participates in β ladder)trans-92.6132.8-178.4-176.10000110D303 Y330 V331 S332 F333D303-V305 PolarHBondContact O-N 3.03Å; V305-Y330 HydrophobicContact CG2-CE2 3.77Å; V305-V331 PolarHBondContact N-O 3.03Å; V305-S332 CarbonylContact O-C 3.52Å; V305-S332 WeakPolarHBondContact O-CA 3.26Å; V305-F333 PolarHBondContact O-N 2.77Å
306G54.8Low59.5Low42 Ų4284.1 Ų84.143%0.43344%0.442SS..THydrogen-bonded Turntrans94.911.5173.600000116.5
307G55.5Low61.5Low37 Ų3775 Ų7538%0.38141%0.408SS..  trans72.987.5160.900000115.8H309G307-H309 PolarHBondContact O-N 3.49Å; G307-H309 PolarHBondContact O-ND1 2.92Å
308D60.6Low63.6Low26 Ų2672.7 Ų72.714%0.13939%0.393CS..  trans-7768.9164.2-166.94.9000110.2I304 L310 G311 C312 H313 F314 F333I304-D308 HydrophobicContact CG2-CB 4.38Å; D308-L310 PolarHBondContact O-N 3.19Å; D308-G311 PolarHBondContact O-N 2.82Å; D308-G311 WeakPolarHBondContact OD1-CA 3.3Å; D308-G311 PolarHBondContact OD1-N 3Å; D308-G311 WeakPolarHBondContact OD2-CA 3.42Å; D308-C312 PolarHBondContact OD1-N 3.45Å; D308-C312 VanDerWaalsContact OD1-N 3.14Å; D308-H313 IonicContact OD1-CD2 2.7Å; D308-H313 PolarHBondContact OD1-N 3.49Å; D308-H313 PolarHBondContact OD2-N 3.38Å; D308-F314 VanDerWaalsContact OD2-CB 3.31Å; D308-F314 WeakPolarHBondContact OD2-CB 3.41Å; D308-F314 PolarHBondContact OD2-N 3.25Å; D308-F333 HydrophobicContact CB-CD2 3.97Å; D308-F333 HydrophobicContact CB-CE2 3.8Å
309H52.7Low65.6Low167 Ų16765.8 Ų65.877%0.77337%0.371SS*.THydrogen-bonded Turntrans-60.7107.8176.5-67.178.4000107.7G307G307-H309 PolarHBondContact O-N 3.49Å; G307-H309 PolarHBondContact O-ND1 2.92Å
310L54.8Low67.7Low135 Ų13562.4 Ų62.471%0.70734%0.339SS*.THydrogen-bonded Turntrans91.95-175-51.1156.5000116.8C294 D308 C312C294-L310 CarbonylContact C-O 3.57Å; C294-L310 WeakPolarHBondContact CA-O 3.17Å; D308-L310 PolarHBondContact O-N 3.19Å; L310-C312 PolarHBondContact O-N 2.96Å
311G65.6Low70.1Confident17 Ų1760.5 Ų60.518%0.17532%0.322CS..SBendtrans67.24.5171.400000115.9D308 S315D308-G311 PolarHBondContact O-N 2.82Å; D308-G311 WeakPolarHBondContact OD1-CA 3.3Å; D308-G311 PolarHBondContact OD1-N 3Å; D308-G311 WeakPolarHBondContact OD2-CA 3.42Å; G311-S315 VanDerWaalsContact O-CB 3.23Å; G311-S315 WeakPolarHBondContact O-CB 3.19Å; G311-S315 PolarHBondContact O-N 3.03Å; G311-S315 VanDerWaalsContact O-N 3.08Å
312C73.9Confident72.2Confident26 Ų2654.1 Ų54.118%0.17631%0.31CS..Hα-helixtrans-76.1-33-171.7-700000112.6W275 L290 C294 D308 L310 S316W275-C312 HydrophobicContact CB-CB 4.36Å; W275-C312 HydrophobicContact CG-CB 4.32Å; L290-C312 HydrophobicContact CD2-CB 4.24Å; C294-C312 HydrophobicContact CB-CB 4.4Å; C294-C312 WeakPolarHBondContact CB-SG 3.27Å; C294-C312 WeakPolarHBondContact SG-CA 3.4Å; C294-C312 WeakPolarHBondContact SG-CB 2.95Å; C294-C312 CovalentContact SG-SG 2.04Å; C294-C312 PolarHBondContact SG-SG 2.65Å; D308-C312 PolarHBondContact OD1-N 3.45Å; D308-C312 VanDerWaalsContact OD1-N 3.14Å; L310-C312 PolarHBondContact O-N 2.96Å; C312-S316 WeakPolarHBondContact O-CB 3.46Å; C312-S316 PolarHBondContact O-N 3.31Å; C312-S316 PolarHBondContact O-OG 3.44Å
313H79.5Confident74Confident56 Ų5648 Ų4826%0.25929%0.288SS..Hα-helixtrans-64.7-50.9177.6-82-81.9000110.1W275 D308 S316 I317 F333W275-H313 AromaticContact CD1-CD2 3.57Å; W275-H313 AromaticContact CD1-CE1 3.46Å; W275-H313 VanDerWaalsContact CD1-CE1 3.46Å; W275-H313 AromaticContact CD1-CG 3.79Å; W275-H313 AromaticContact CD1-ND1 3.73Å; W275-H313 AromaticContact CD1-NE2 3.33Å; W275-H313 VanDerWaalsContact CD1-NE2 3.33Å; W275-H313 AromaticContact NE1-CD2 3.83Å; W275-H313 AromaticContact NE1-CE1 3.59Å; W275-H313 AromaticContact NE1-NE2 3.21Å; W275-H313 PolarHBondContact NE1-NE2 3.33Å; D308-H313 IonicContact OD1-CD2 2.7Å; D308-H313 PolarHBondContact OD1-N 3.49Å; D308-H313 PolarHBondContact OD2-N 3.38Å; H313-S316 PolarHBondContact O-N 2.81Å; H313-S316 PolarHBondContact O-OG 2.82Å; H313-I317 WeakPolarHBondContact O-CG1 3.11Å; H313-I317 PolarHBondContact O-N 3.02Å; H313-I317 VanDerWaalsContact O-N 3.14Å; H313-F333 HydrophobicContact CB-CD1 4.05Å; H313-F333 HydrophobicContact CB-CD2 4.43Å; H313-F333 HydrophobicContact CB-CE1 3.55Å; H313-F333 HydrophobicContact CB-CE2 3.97Å; H313-F333 HydrophobicContact CB-CG 4.47Å; H313-F333 HydrophobicContact CB-CZ 3.49Å; H313-F333 VanDerWaalsContact CB-CZ 3.49Å
314F84Confident75.6Confident17 Ų1747.1 Ų47.18%0.07528%0.279CS..Hα-helixtrans-69.6-38.6-178.4-170.1-134.1000112.8I304 D308 S316 I317 L318 Y325 F328 V331 F333I304-F314 HydrophobicContact CD1-CD1 4.4Å; D308-F314 VanDerWaalsContact OD2-CB 3.31Å; D308-F314 WeakPolarHBondContact OD2-CB 3.41Å; D308-F314 PolarHBondContact OD2-N 3.25Å; F314-S316 VanDerWaalsContact C-N 3.3Å; F314-S316 PolarHBondContact O-N 3.41Å; F314-I317 HydrophobicContact CD2-CB 4.45Å; F314-I317 WeakPolarHBondContact O-CB 3.47Å; F314-I317 PolarHBondContact O-N 2.8Å; F314-I317 VanDerWaalsContact O-N 3.09Å; F314-L318 HydrophobicContact CD1-CD1 4.07Å; F314-L318 HydrophobicContact CE1-CD1 4.01Å; F314-L318 HydrophobicContact CE2-CD2 4.42Å; F314-L318 HydrophobicContact CE2-CG 4.32Å; F314-L318 HydrophobicContact CG-CD1 4.44Å; F314-L318 HydrophobicContact CZ-CD1 4.26Å; F314-L318 HydrophobicContact CZ-CD2 4.18Å; F314-L318 HydrophobicContact CZ-CG 4.31Å; F314-L318 WeakPolarHBondContact O-CG 3.26Å; F314-L318 PolarHBondContact O-N 2.87Å; F314-Y325 HydrophobicContact CD1-CD1 4.06Å; F314-Y325 AromaticContact CD1-CE1 3.78Å; F314-Y325 HydrophobicContact CD1-CE1 3.78Å; F314-Y325 AromaticContact CE1-CD1 3.34Å; F314-Y325 HydrophobicContact CE1-CD1 3.34Å; F314-Y325 AromaticContact CE1-CE1 3.56Å; F314-Y325 HydrophobicContact CE1-CE1 3.56Å; F314-Y325 HydrophobicContact CE1-CG 4.31Å; F314-Y325 HydrophobicContact CZ-CD1 4.18Å; F314-F328 HydrophobicContact CE2-CB 4.25Å; F314-F328 AromaticContact CE2-CD1 3.86Å; F314-F328 HydrophobicContact CE2-CD1 3.86Å; F314-F328 AromaticContact CE2-CD2 3.81Å; F314-F328 HydrophobicContact CE2-CD2 3.81Å; F314-F328 HydrophobicContact CE2-CE1 4.14Å; F314-F328 HydrophobicContact CE2-CE2 4.12Å; F314-F328 AromaticContact CE2-CG 3.68Å; F314-F328 HydrophobicContact CE2-CG 3.68Å; F314-F328 HydrophobicContact CE2-CZ 4.28Å; F314-F328 HydrophobicContact CZ-CB 4.14Å; F314-F328 AromaticContact CZ-CD2 3.81Å; F314-F328 HydrophobicContact CZ-CD2 3.81Å; F314-F328 HydrophobicContact CZ-CE2 4.4Å; F314-F328 AromaticContact CZ-CG 3.89Å; F314-F328 HydrophobicContact CZ-CG 3.89Å; F314-V331 HydrophobicContact CD2-CG1 4.37Å; F314-V331 HydrophobicContact CD2-CG2 4.11Å; F314-V331 HydrophobicContact CE2-CG2 3.77Å; F314-V331 HydrophobicContact CZ-CG2 4.48Å; F314-F333 HydrophobicContact CB-CE2 4.44Å; F314-F333 HydrophobicContact CB-CZ 4.24Å
315S82.4Confident76.6Confident4 Ų449 Ų493%0.02828%0.284CS..Hα-helixtrans-57.6-42.3173.5179.80000112.3G311 I317 L318 Q319G311-S315 VanDerWaalsContact O-CB 3.23Å; G311-S315 WeakPolarHBondContact O-CB 3.19Å; G311-S315 PolarHBondContact O-N 3.03Å; G311-S315 VanDerWaalsContact O-N 3.08Å; S315-I317 VanDerWaalsContact C-N 3.33Å; S315-I317 PolarHBondContact O-N 2.7Å; S315-L318 PolarHBondContact O-N 2.93Å; S315-Q319 VanDerWaalsContact O-CG 3.29Å; S315-Q319 WeakPolarHBondContact O-CG 3.16Å; S315-Q319 PolarHBondContact O-N 2.95Å
316S84.3Confident77.9Confident0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-66.2-34.3176.2710000113.2G274 W275 C312 H313 F314 T320G274-S316 WeakPolarHBondContact CA-OG 3.13Å; W275-S316 WeakPolarHBondContact CA-OG 3.31Å; W275-S316 PolarHBondContact N-OG 3.19Å; C312-S316 WeakPolarHBondContact O-CB 3.46Å; C312-S316 PolarHBondContact O-N 3.31Å; C312-S316 PolarHBondContact O-OG 3.44Å; H313-S316 PolarHBondContact O-N 2.81Å; H313-S316 PolarHBondContact O-OG 2.82Å; F314-S316 VanDerWaalsContact C-N 3.3Å; F314-S316 PolarHBondContact O-N 3.41Å; S316-T320 WeakPolarHBondContact O-CB 3.42Å; S316-T320 PolarHBondContact O-N 3.08Å; S316-T320 PolarHBondContact O-OG1 2.9Å
317I89Confident79.7Confident1 Ų153.9 Ų53.91%0.00528%0.284CS..Hα-helixtrans-63.1-50.7175.2-71.7167.5000109.2A271 H313 F314 S315 Q319 T320 T321 F328 F333 F343A271-I317 HydrophobicContact CB-CG2 4.43Å; A271-I317 VanDerWaalsContact O-CG1 3.28Å; A271-I317 WeakPolarHBondContact O-CG1 3.45Å; H313-I317 WeakPolarHBondContact O-CG1 3.11Å; H313-I317 PolarHBondContact O-N 3.02Å; H313-I317 VanDerWaalsContact O-N 3.14Å; F314-I317 HydrophobicContact CD2-CB 4.45Å; F314-I317 WeakPolarHBondContact O-CB 3.47Å; F314-I317 PolarHBondContact O-N 2.8Å; F314-I317 VanDerWaalsContact O-N 3.09Å; S315-I317 VanDerWaalsContact C-N 3.33Å; S315-I317 PolarHBondContact O-N 2.7Å; I317-Q319 VanDerWaalsContact C-N 3.33Å; I317-Q319 PolarHBondContact O-N 2.87Å; I317-T320 PolarHBondContact O-N 3.47Å; I317-T321 HydrophobicContact CG2-CG2 4.13Å; I317-T321 WeakPolarHBondContact O-CG2 3.26Å; I317-T321 PolarHBondContact O-N 3.2Å; I317-T321 PolarHBondContact O-OG1 3.03Å; I317-T321 VanDerWaalsContact O-OG1 3.1Å; I317-F328 HydrophobicContact CG2-CE1 3.55Å; I317-F328 HydrophobicContact CG2-CZ 3.52Å; I317-F333 HydrophobicContact CD1-CE1 3.77Å; I317-F333 HydrophobicContact CD1-CZ 3.9Å; I317-F343 HydrophobicContact CD1-CD1 4.28Å; I317-F343 HydrophobicContact CG2-CE1 4.35Å; I317-F343 HydrophobicContact CG2-CZ 4.41Å
318L89.1Confident81.5Confident17 Ų1753.2 Ų53.29%0.08927%0.27CS..Hα-helixtrans-58.4-44179.1-66.9162.8000112.4F314 S315 T320 G322 L323 Y325 F328F314-L318 HydrophobicContact CD1-CD1 4.07Å; F314-L318 HydrophobicContact CE1-CD1 4.01Å; F314-L318 HydrophobicContact CE2-CD2 4.42Å; F314-L318 HydrophobicContact CE2-CG 4.32Å; F314-L318 HydrophobicContact CG-CD1 4.44Å; F314-L318 HydrophobicContact CZ-CD1 4.26Å; F314-L318 HydrophobicContact CZ-CD2 4.18Å; F314-L318 HydrophobicContact CZ-CG 4.31Å; F314-L318 WeakPolarHBondContact O-CG 3.26Å; F314-L318 PolarHBondContact O-N 2.87Å; S315-L318 PolarHBondContact O-N 2.93Å; L318-T320 VanDerWaalsContact C-N 3.29Å; L318-T320 PolarHBondContact O-N 3.04Å; L318-G322 WeakPolarHBondContact O-CA 3.11Å; L318-G322 PolarHBondContact O-N 3.18Å; L318-L323 VanDerWaalsContact CD2-O 3.27Å; L318-L323 WeakPolarHBondContact CD2-O 3.05Å; L318-Y325 HydrophobicContact CD1-CD1 3.85Å; L318-Y325 HydrophobicContact CD1-CD2 3.81Å; L318-Y325 HydrophobicContact CD1-CE1 3.37Å; L318-Y325 HydrophobicContact CD1-CE2 3.38Å; L318-Y325 HydrophobicContact CD1-CG 4.01Å; L318-Y325 WeakPolarHBondContact CD1-OH 3.23Å; L318-Y325 HydrophobicContact CD2-CD2 4.39Å; L318-Y325 HydrophobicContact CD2-CG 4.45Å; L318-F328 HydrophobicContact CD2-CD2 4.06Å; L318-F328 HydrophobicContact CD2-CE2 3.5Å; L318-F328 HydrophobicContact CD2-CZ 4.34Å; L318-F328 HydrophobicContact CG-CE2 4.47Å
319Q86.5Confident83Confident90 Ų9053.4 Ų53.442%0.42127%0.271SS..Hα-helixtrans-66.1-32.5176.6-69.9-73.7-8.500112.4Y278 S315 I317Y278-Q319 HydrophobicContact CE2-CB 3.8Å; S315-Q319 VanDerWaalsContact O-CG 3.29Å; S315-Q319 WeakPolarHBondContact O-CG 3.16Å; S315-Q319 PolarHBondContact O-N 2.95Å; I317-Q319 VanDerWaalsContact C-N 3.33Å; I317-Q319 PolarHBondContact O-N 2.87Å
320T86.7Confident85Confident31 Ų3146.4 Ų46.419%0.1924%0.238CC..Hα-helixtrans-79.8-42.4-179.9-540000111.4Q267 A271 Y278 S316 I317 L318Q267-T320 HydrophobicContact CG-CG2 4.35Å; Q267-T320 VanDerWaalsContact CG-O 3.3Å; Q267-T320 WeakPolarHBondContact CG-O 3.26Å; Q267-T320 PolarHBondContact NE2-O 2.98Å; A271-T320 HydrophobicContact CB-CG2 3.8Å; Y278-T320 WeakPolarHBondContact CD2-OG1 3.5Å; S316-T320 WeakPolarHBondContact O-CB 3.42Å; S316-T320 PolarHBondContact O-N 3.08Å; S316-T320 PolarHBondContact O-OG1 2.9Å; I317-T320 PolarHBondContact O-N 3.47Å; L318-T320 VanDerWaalsContact C-N 3.29Å; L318-T320 PolarHBondContact O-N 3.04Å
321T91.8Very high86.7Confident12 Ų1240.3 Ų40.37%0.07421%0.206CC..Hα-helixtrans-84.2-25.3-177.162.70000113.1F268 A271 I317 L323F268-T321 HydrophobicContact CD1-CG2 3.5Å; F268-T321 VanDerWaalsContact CD1-CG2 3.5Å; F268-T321 HydrophobicContact CE1-CG2 3.76Å; F268-T321 HydrophobicContact CG-CG2 4.32Å; A271-T321 HydrophobicContact CB-CG2 3.62Å; I317-T321 HydrophobicContact CG2-CG2 4.13Å; I317-T321 WeakPolarHBondContact O-CG2 3.26Å; I317-T321 PolarHBondContact O-N 3.2Å; I317-T321 PolarHBondContact O-OG1 3.03Å; I317-T321 VanDerWaalsContact O-OG1 3.1Å; T321-L323 PolarHBondContact O-N 3.11Å; T321-L323 PolarHBondContact OG1-N 3.28Å
322G90.3Very high87.8Confident65 Ų6539.6 Ų39.667%0.6720%0.198SC*.  trans72.86.6-171.700000114L318L318-G322 WeakPolarHBondContact O-CA 3.11Å; L318-G322 PolarHBondContact O-N 3.18Å
323L92.1Very high88.3Confident27 Ų2739.7 Ų39.714%0.14120%0.196CC..  trans-78.9160.8175.9-66-174.2000111.7F268 L318 T321 D327 F328 A345F268-L323 HydrophobicContact CE1-CD1 3.77Å; F268-L323 HydrophobicContact CE1-CG 4.26Å; F268-L323 HydrophobicContact CZ-CD1 4.45Å; L318-L323 VanDerWaalsContact CD2-O 3.27Å; L318-L323 WeakPolarHBondContact CD2-O 3.05Å; T321-L323 PolarHBondContact O-N 3.11Å; T321-L323 PolarHBondContact OG1-N 3.28Å; L323-D327 HydrophobicContact CB-CB 4.24Å; L323-D327 HydrophobicContact CD1-CB 4.34Å; L323-F328 HydrophobicContact CB-CE2 3.79Å; L323-F328 HydrophobicContact CB-CZ 4.25Å; L323-F328 HydrophobicContact CD1-CE2 4.36Å; L323-F328 HydrophobicContact CD1-CZ 4.31Å; L323-A345 HydrophobicContact CD1-CB 3.84Å
324Q89.2Confident88.5Confident103 Ų10339.7 Ų39.748%0.48120%0.196SC..  trans-90.8158.9174.9-58.4-174.3-23.900110.7R326 D327 F328Q324-R326 HydrophobicContact CB-CG 4.24Å; Q324-R326 PolarHBondContact O-N 2.68Å; Q324-R326 VanDerWaalsContact O-N 3.16Å; Q324-D327 WeakPolarHBondContact CA-OD2 3.35Å; Q324-D327 WeakPolarHBondContact CB-OD2 3.41Å; Q324-D327 PolarHBondContact N-OD2 3.24Å; Q324-D327 WeakPolarHBondContact O-CB 3.29Å; Q324-D327 PolarHBondContact O-N 3.07Å; Q324-F328 WeakPolarHBondContact O-CD2 3.43Å
325Y85.8Confident88.3Confident99 Ų9940.3 Ų40.339%0.38820%0.2SC..G310 helixtrans-50-42.3178.2-75.8-98.3000113.4F314 L318 D327 F328F314-Y325 HydrophobicContact CD1-CD1 4.06Å; F314-Y325 AromaticContact CD1-CE1 3.78Å; F314-Y325 HydrophobicContact CD1-CE1 3.78Å; F314-Y325 AromaticContact CE1-CD1 3.34Å; F314-Y325 HydrophobicContact CE1-CD1 3.34Å; F314-Y325 AromaticContact CE1-CE1 3.56Å; F314-Y325 HydrophobicContact CE1-CE1 3.56Å; F314-Y325 HydrophobicContact CE1-CG 4.31Å; F314-Y325 HydrophobicContact CZ-CD1 4.18Å; L318-Y325 HydrophobicContact CD1-CD1 3.85Å; L318-Y325 HydrophobicContact CD1-CD2 3.81Å; L318-Y325 HydrophobicContact CD1-CE1 3.37Å; L318-Y325 HydrophobicContact CD1-CE2 3.38Å; L318-Y325 HydrophobicContact CD1-CG 4.01Å; L318-Y325 WeakPolarHBondContact CD1-OH 3.23Å; L318-Y325 HydrophobicContact CD2-CD2 4.39Å; L318-Y325 HydrophobicContact CD2-CG 4.45Å; Y325-D327 PolarHBondContact O-N 3.3Å; Y325-F328 PolarHBondContact O-N 3.2Å
326R88.3Confident88.1Confident189 Ų18944.1 Ų44.171%0.71322%0.217SC*.G310 helixtrans-68.7-16.3-177.966.5179.4172.2-177.1-2.3114.4Q324 F328Q324-R326 HydrophobicContact CB-CG 4.24Å; Q324-R326 PolarHBondContact O-N 2.68Å; Q324-R326 VanDerWaalsContact O-N 3.16Å; R326-F328 PolarHBondContact O-N 3.31Å
327D92.5Very high87.7Confident13 Ų1347.7 Ų47.77%0.0724%0.236CC..G310 helixtrans-81-10.2-178.1-54.1-28.5000110.5L323 Q324 Y325 A345 L346 H348L323-D327 HydrophobicContact CB-CB 4.24Å; L323-D327 HydrophobicContact CD1-CB 4.34Å; Q324-D327 WeakPolarHBondContact CA-OD2 3.35Å; Q324-D327 WeakPolarHBondContact CB-OD2 3.41Å; Q324-D327 PolarHBondContact N-OD2 3.24Å; Q324-D327 WeakPolarHBondContact O-CB 3.29Å; Q324-D327 PolarHBondContact O-N 3.07Å; Y325-D327 PolarHBondContact O-N 3.3Å; D327-A345 CarbonylContact O-C 3.49Å; D327-A345 WeakPolarHBondContact O-CA 3.4Å; D327-L346 PolarHBondContact O-N 2.79Å; D327-H348 IonicContact OD1-CD2 3.74Å; D327-H348 IonicContact OD1-NE2 3.87Å
328F92.9Very high87.5Confident23 Ų2351.2 Ų51.210%0.10125%0.249CC..EExtended strand (participates in β ladder)trans-93.2122.1177.9-69.1-96.9000111.2F314 I317 L318 L323 Q324 Y325 R326 V331 F343 A345F314-F328 HydrophobicContact CE2-CB 4.25Å; F314-F328 AromaticContact CE2-CD1 3.86Å; F314-F328 HydrophobicContact CE2-CD1 3.86Å; F314-F328 AromaticContact CE2-CD2 3.81Å; F314-F328 HydrophobicContact CE2-CD2 3.81Å; F314-F328 HydrophobicContact CE2-CE1 4.14Å; F314-F328 HydrophobicContact CE2-CE2 4.12Å; F314-F328 AromaticContact CE2-CG 3.68Å; F314-F328 HydrophobicContact CE2-CG 3.68Å; F314-F328 HydrophobicContact CE2-CZ 4.28Å; F314-F328 HydrophobicContact CZ-CB 4.14Å; F314-F328 AromaticContact CZ-CD2 3.81Å; F314-F328 HydrophobicContact CZ-CD2 3.81Å; F314-F328 HydrophobicContact CZ-CE2 4.4Å; F314-F328 AromaticContact CZ-CG 3.89Å; F314-F328 HydrophobicContact CZ-CG 3.89Å; I317-F328 HydrophobicContact CG2-CE1 3.55Å; I317-F328 HydrophobicContact CG2-CZ 3.52Å; L318-F328 HydrophobicContact CD2-CD2 4.06Å; L318-F328 HydrophobicContact CD2-CE2 3.5Å; L318-F328 HydrophobicContact CD2-CZ 4.34Å; L318-F328 HydrophobicContact CG-CE2 4.47Å; L323-F328 HydrophobicContact CB-CE2 3.79Å; L323-F328 HydrophobicContact CB-CZ 4.25Å; L323-F328 HydrophobicContact CD1-CE2 4.36Å; L323-F328 HydrophobicContact CD1-CZ 4.31Å; Q324-F328 WeakPolarHBondContact O-CD2 3.43Å; Y325-F328 PolarHBondContact O-N 3.2Å; R326-F328 PolarHBondContact O-N 3.31Å; F328-V331 HydrophobicContact CB-CG2 4.11Å; F328-V331 HydrophobicContact CD1-CG2 3.87Å; F328-V331 HydrophobicContact CG-CG2 4.29Å; F328-F343 AromaticContact CD1-CD2 3.99Å; F328-F343 HydrophobicContact CD1-CD2 3.99Å; F328-F343 HydrophobicContact CD1-CG 4.48Å; F328-F343 AromaticContact CE1-CD2 3.65Å; F328-F343 HydrophobicContact CE1-CD2 3.65Å; F328-F343 AromaticContact CE1-CE2 3.84Å; F328-F343 HydrophobicContact CE1-CE2 3.84Å; F328-F343 HydrophobicContact CE1-CG 4.24Å; F328-A345 HydrophobicContact CD1-CB 3.89Å; F328-A345 HydrophobicContact CE1-CB 3.9Å; F328-A345 HydrophobicContact CG-CB 4.4Å; F328-A345 HydrophobicContact CZ-CB 4.39Å
329I92.4Very high87.4Confident29 Ų2953.4 Ų53.415%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-85.3-38.9175.5-57.9-59.6000110.7V344 L346 I408 Q411 A412I329-V344 HydrophobicContact CB-CB 4.37Å; I329-V344 HydrophobicContact CB-CG1 4.23Å; I329-V344 PolarHBondContact N-O 3.1Å; I329-L346 HydrophobicContact CD1-CD1 4.05Å; I329-L346 HydrophobicContact CD1-CD2 4.44Å; I329-L346 HydrophobicContact CD1-CG 4.13Å; I329-L346 HydrophobicContact CG1-CD1 4.46Å; I329-L346 HydrophobicContact CG1-CD2 4Å; I329-L346 HydrophobicContact CG1-CG 4Å; I329-I408 HydrophobicContact CG2-CG2 4.17Å; I329-Q411 HydrophobicContact CG2-CB 4.42Å; I329-Q411 HydrophobicContact CG2-CG 4.17Å; I329-A412 HydrophobicContact CG1-CB 4.05Å; I329-A412 HydrophobicContact CG2-CB 4.44Å
330Y93.3Very high87.5Confident21 Ų2149.1 Ų49.18%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-150.5139.2-176.5-177.1-101.3000111.3V305 S332 F342 F343 V344 I408V305-Y330 HydrophobicContact CG2-CE2 3.77Å; Y330-S332 VanDerWaalsContact CE1-CB 3.46Å; Y330-F342 HydrophobicContact CD1-CD2 4.3Å; Y330-F342 AromaticContact CD1-CE2 3.6Å; Y330-F342 HydrophobicContact CD1-CE2 3.6Å; Y330-F342 AromaticContact CD1-CZ 3.76Å; Y330-F342 HydrophobicContact CD1-CZ 3.76Å; Y330-F342 HydrophobicContact CE1-CD2 4.48Å; Y330-F342 AromaticContact CE1-CE1 3.88Å; Y330-F342 HydrophobicContact CE1-CE1 3.88Å; Y330-F342 AromaticContact CE1-CE2 3.7Å; Y330-F342 HydrophobicContact CE1-CE2 3.7Å; Y330-F342 AromaticContact CE1-CZ 3.35Å; Y330-F342 HydrophobicContact CE1-CZ 3.35Å; Y330-F343 CarbonylContact O-C 3.51Å; Y330-F343 WeakPolarHBondContact O-CA 3.34Å; Y330-F343 WeakPolarHBondContact O-CB 3.26Å; Y330-V344 PolarHBondContact N-O 3.16Å; Y330-V344 PolarHBondContact O-N 3.12Å; Y330-I408 HydrophobicContact CD1-CD1 3.83Å; Y330-I408 HydrophobicContact CD2-CD1 3.69Å; Y330-I408 HydrophobicContact CD2-CG1 4.31Å; Y330-I408 HydrophobicContact CE1-CD1 4Å; Y330-I408 HydrophobicContact CE2-CD1 3.88Å; Y330-I408 HydrophobicContact CG-CD1 3.66Å; Y330-I408 HydrophobicContact CG-CG1 4.4Å; Y330-I408 HydrophobicContact CG-CG2 4.26Å
331V90.9Very high87.8Confident6 Ų647.8 Ų47.84%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-138.5118.1174.7-174.20000108.8I304 V305 F314 F328 F333 F343I304-V331 WeakPolarHBondContact CA-O 3.4Å; V305-V331 PolarHBondContact N-O 3.03Å; F314-V331 HydrophobicContact CD2-CG1 4.37Å; F314-V331 HydrophobicContact CD2-CG2 4.11Å; F314-V331 HydrophobicContact CE2-CG2 3.77Å; F314-V331 HydrophobicContact CZ-CG2 4.48Å; F328-V331 HydrophobicContact CB-CG2 4.11Å; F328-V331 HydrophobicContact CD1-CG2 3.87Å; F328-V331 HydrophobicContact CG-CG2 4.29Å; V331-F333 HydrophobicContact CG1-CD2 4.38Å; V331-F333 HydrophobicContact CG1-CE1 3.92Å; V331-F333 HydrophobicContact CG1-CE2 3.65Å; V331-F333 HydrophobicContact CG1-CZ 3.37Å; V331-F343 HydrophobicContact CB-CB 4.39Å; V331-F343 HydrophobicContact CG1-CB 4.3Å; V331-F343 HydrophobicContact CG2-CB 4.12Å
332S89Confident88Confident2 Ų247.4 Ų47.41%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-117.1124.8174-179.80000111.1V305 Y330 H334 P341 F342V305-S332 CarbonylContact O-C 3.52Å; V305-S332 WeakPolarHBondContact O-CA 3.26Å; Y330-S332 VanDerWaalsContact CE1-CB 3.46Å; S332-H334 WeakPolarHBondContact OG-CB 3.36Å; S332-H334 PolarHBondContact OG-N 2.04Å; S332-P341 WeakPolarHBondContact O-CA 3.25Å; S332-P341 VanDerWaalsContact O-CB 3.24Å; S332-P341 WeakPolarHBondContact O-CB 3.19Å; S332-F342 PolarHBondContact N-O 3.16Å; S332-F342 PolarHBondContact O-N 3.43Å
333F84.8Confident88.3Confident29 Ų2944.5 Ų44.513%0.12720%0.197CC..  trans-100.37.2167-56.7-60.7000112I304 V305 D308 H313 F314 I317 V331 N335I304-F333 HydrophobicContact CG2-CD2 3.93Å; I304-F333 HydrophobicContact CG2-CE2 3.87Å; V305-F333 PolarHBondContact O-N 2.77Å; D308-F333 HydrophobicContact CB-CD2 3.97Å; D308-F333 HydrophobicContact CB-CE2 3.8Å; H313-F333 HydrophobicContact CB-CD1 4.05Å; H313-F333 HydrophobicContact CB-CD2 4.43Å; H313-F333 HydrophobicContact CB-CE1 3.55Å; H313-F333 HydrophobicContact CB-CE2 3.97Å; H313-F333 HydrophobicContact CB-CG 4.47Å; H313-F333 HydrophobicContact CB-CZ 3.49Å; H313-F333 VanDerWaalsContact CB-CZ 3.49Å; F314-F333 HydrophobicContact CB-CE2 4.44Å; F314-F333 HydrophobicContact CB-CZ 4.24Å; I317-F333 HydrophobicContact CD1-CE1 3.77Å; I317-F333 HydrophobicContact CD1-CZ 3.9Å; V331-F333 HydrophobicContact CG1-CD2 4.38Å; V331-F333 HydrophobicContact CG1-CE1 3.92Å; V331-F333 HydrophobicContact CG1-CE2 3.65Å; V331-F333 HydrophobicContact CG1-CZ 3.37Å; F333-N335 PolarHBondContact O-N 3.31Å
334H83.4Confident88.5Confident55 Ų5543.2 Ų43.226%0.25519%0.19SC..  trans-63.9126.1-180-170.780.2000111.1S332 Q336 E339 P341S332-H334 WeakPolarHBondContact OG-CB 3.36Å; S332-H334 PolarHBondContact OG-N 2.04Å; H334-Q336 WeakPolarHBondContact NE2-CG 3.41Å; H334-E339 IonicContact CD2-OE2 3.92Å; H334-E339 PolarHBondContact CD2-OE2 2.88Å; H334-E339 IonicContact NE2-OE2 2.92Å; H334-E339 PolarHBondContact NE2-OE2 2.98Å; H334-E339 VanDerWaalsContact NE2-OE2 3.14Å; H334-P341 VanDerWaalsContact O-CD 3.29Å; H334-P341 WeakPolarHBondContact O-CD 3.34Å; H334-P341 VanDerWaalsContact O-CG 3.27Å; H334-P341 WeakPolarHBondContact O-CG 3.29Å
335N80.1Confident88.8Confident31 Ų3138.3 Ų38.317%0.16617%0.168CC..  trans-135.6105.6-173.8-177.57.7000112F333 E339 P341 R358 S362 K364F333-N335 PolarHBondContact O-N 3.31Å; N335-E339 WeakPolarHBondContact CA-O 3.19Å; N335-P341 HydrophobicContact CB-CG 4.03Å; N335-R358 PolarHBondContact ND2-NH1 3.06Å; N335-R358 PolarHBondContact ND2-NH2 3.03Å; N335-R358 PolarHBondContact OD1-NH2 3.02Å; N335-S362 WeakPolarHBondContact ND2-CB 3.5Å; N335-S362 PolarHBondContact ND2-OG 2.96Å; N335-K364 PolarHBondContact O-NZ 3.26Å
336Q77.7Confident89.4Confident83 Ų8333.8 Ų33.839%0.38815%0.15SC..BIsolated β-bridgetrans-132.3173.9171.9-61-71.78.100110.1H334 Y338 E339H334-Q336 WeakPolarHBondContact NE2-CG 3.41Å; Q336-Y338 PolarHBondContact O-N 2.91Å; Q336-E339 HydrophobicContact CB-CB 3.98Å; Q336-E339 HydrophobicContact CB-CG 4.16Å; Q336-E339 PolarHBondContact N-O 3.46Å; Q336-E339 PolarHBondContact O-N 3.4Å; Q336-E339 VanDerWaalsContact O-O 3.11Å
337I76.3Confident89.8Confident76 Ų7625.1 Ų25.139%0.3912%0.118SC..THydrogen-bonded Turntrans-61.4124.5175.3-55175.5000107.8E339 K364 L367I337-E339 PolarHBondContact O-N 2.98Å; I337-K364 HydrophobicContact CG1-CB 4.25Å; I337-K364 HydrophobicContact CG1-CG 4.5Å; I337-L367 HydrophobicContact CD1-CD1 4.2Å
338Y84.2Confident89.9Confident74 Ų7428.7 Ų28.729%0.2913%0.134SC..THydrogen-bonded Turntrans65.56.9-173.1-39-57.2000115.8Q336 T368 Q394 A395Q336-Y338 PolarHBondContact O-N 2.91Å; Y338-T368 HydrophobicContact CD1-CG2 3.98Å; Y338-T368 HydrophobicContact CE1-CG2 4.38Å; Y338-T368 PolarHBondContact N-OG1 3.34Å; Y338-Q394 HydrophobicContact CD1-CB 4.05Å; Y338-Q394 VanDerWaalsContact CD2-OE1 3.23Å; Y338-Q394 HydrophobicContact CG-CB 3.94Å; Y338-Q394 VanDerWaalsContact CZ-OE1 3.25Å; Y338-A395 VanDerWaalsContact O-CA 3.28Å; Y338-A395 WeakPolarHBondContact O-CA 3.22Å
339E87.7Confident89.9Confident63 Ų6336.1 Ų36.129%0.29417%0.166SC..BIsolated β-bridgetrans-118.197173.6-56.5-171.8-144.900108.8H334 N335 Q336 I337 Y398H334-E339 IonicContact CD2-OE2 3.92Å; H334-E339 PolarHBondContact CD2-OE2 2.88Å; H334-E339 IonicContact NE2-OE2 2.92Å; H334-E339 PolarHBondContact NE2-OE2 2.98Å; H334-E339 VanDerWaalsContact NE2-OE2 3.14Å; N335-E339 WeakPolarHBondContact CA-O 3.19Å; Q336-E339 HydrophobicContact CB-CB 3.98Å; Q336-E339 HydrophobicContact CB-CG 4.16Å; Q336-E339 PolarHBondContact N-O 3.46Å; Q336-E339 PolarHBondContact O-N 3.4Å; Q336-E339 VanDerWaalsContact O-O 3.11Å; I337-E339 PolarHBondContact O-N 2.98Å; E339-Y398 HydrophobicContact CB-CD1 4.18Å; E339-Y398 HydrophobicContact CB-CD2 4.22Å; E339-Y398 HydrophobicContact CB-CE1 3.99Å; E339-Y398 HydrophobicContact CB-CE2 4.01Å; E339-Y398 HydrophobicContact CB-CG 4.28Å; E339-Y398 HydrophobicContact CG-CD1 4.46Å; E339-Y398 HydrophobicContact CG-CD2 3.67Å; E339-Y398 HydrophobicContact CG-CE1 4.48Å; E339-Y398 HydrophobicContact CG-CE2 3.66Å; E339-Y398 HydrophobicContact CG-CG 4.06Å; E339-Y398 WeakPolarHBondContact OE2-CE2 3.48Å; E339-Y398 PolarHBondContact OE2-OH 3.34Å
340I88.2Confident90Very high1 Ų138.8 Ų38.81%0.00518%0.175CC..  trans-98.2135.4-172.1-59.3-179.2000109.8V357 R358 A395 L428I340-V357 HydrophobicContact CG2-CG1 3.97Å; I340-R358 HydrophobicContact CG2-CB 4.33Å; I340-R358 WeakPolarHBondContact CG2-O 3.26Å; I340-A395 HydrophobicContact CD1-CB 3.44Å; I340-A395 VanDerWaalsContact CD1-CB 3.44Å; I340-A395 HydrophobicContact CG1-CB 3.84Å; I340-L428 HydrophobicContact CD1-CD1 3.9Å; I340-L428 HydrophobicContact CD1-CD2 3.7Å; I340-L428 HydrophobicContact CD1-CG 3.72Å
341P92.2Very high90.2Very high3 Ų343.7 Ų43.72%0.01920%0.198CC..  trans-55.4140.2170.4-32.841.3000113.7S332 H334 N335 R358S332-P341 WeakPolarHBondContact O-CA 3.25Å; S332-P341 VanDerWaalsContact O-CB 3.24Å; S332-P341 WeakPolarHBondContact O-CB 3.19Å; H334-P341 VanDerWaalsContact O-CD 3.29Å; H334-P341 WeakPolarHBondContact O-CD 3.34Å; H334-P341 VanDerWaalsContact O-CG 3.27Å; H334-P341 WeakPolarHBondContact O-CG 3.29Å; N335-P341 HydrophobicContact CB-CG 4.03Å; P341-R358 HydrophobicContact CB-CB 4.02Å; P341-R358 VanDerWaalsContact CD-CZ 3.5Å; P341-R358 VanDerWaalsContact CG-CZ 3.45Å; P341-R358 VanDerWaalsContact O-CB 3.23Å; P341-R358 WeakPolarHBondContact O-CB 3.21Å; P341-R358 PolarHBondContact O-N 2.97Å
342F96.1Very high90.5Very high4 Ų443.6 Ų43.62%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-154.5164175.271.6-81.5000109.9Y330 S332 V344 V355 A356 V357 Y398 I399 K402 L403 I408Y330-F342 HydrophobicContact CD1-CD2 4.3Å; Y330-F342 AromaticContact CD1-CE2 3.6Å; Y330-F342 HydrophobicContact CD1-CE2 3.6Å; Y330-F342 AromaticContact CD1-CZ 3.76Å; Y330-F342 HydrophobicContact CD1-CZ 3.76Å; Y330-F342 HydrophobicContact CE1-CD2 4.48Å; Y330-F342 AromaticContact CE1-CE1 3.88Å; Y330-F342 HydrophobicContact CE1-CE1 3.88Å; Y330-F342 AromaticContact CE1-CE2 3.7Å; Y330-F342 HydrophobicContact CE1-CE2 3.7Å; Y330-F342 AromaticContact CE1-CZ 3.35Å; Y330-F342 HydrophobicContact CE1-CZ 3.35Å; S332-F342 PolarHBondContact N-O 3.16Å; S332-F342 PolarHBondContact O-N 3.43Å; F342-V344 HydrophobicContact CD2-CG2 4.33Å; F342-V344 HydrophobicContact CE2-CG2 4.12Å; F342-V355 HydrophobicContact CD2-CG1 4.27Å; F342-A356 WeakPolarHBondContact CA-O 3.37Å; F342-A356 WeakPolarHBondContact CB-O 3.09Å; F342-V357 HydrophobicContact CB-CG2 4.44Å; F342-Y398 HydrophobicContact CE1-CE1 4.28Å; F342-I399 HydrophobicContact CB-CD1 4.27Å; F342-I399 HydrophobicContact CD1-CB 4.48Å; F342-I399 HydrophobicContact CD1-CD1 4.1Å; F342-I399 HydrophobicContact CD1-CG1 3.78Å; F342-I399 HydrophobicContact CD1-CG2 4.11Å; F342-I399 HydrophobicContact CD2-CG2 4.06Å; F342-I399 HydrophobicContact CE1-CB 4.43Å; F342-I399 HydrophobicContact CE1-CG1 4.06Å; F342-I399 HydrophobicContact CE1-CG2 4.11Å; F342-I399 HydrophobicContact CE2-CG2 4.05Å; F342-I399 HydrophobicContact CG-CD1 4.29Å; F342-I399 HydrophobicContact CG-CG1 4.33Å; F342-I399 HydrophobicContact CG-CG2 4.09Å; F342-I399 HydrophobicContact CZ-CG2 4.07Å; F342-K402 HydrophobicContact CE1-CB 4.24Å; F342-K402 HydrophobicContact CE1-CG 4.3Å; F342-K402 HydrophobicContact CZ-CB 3.7Å; F342-K402 HydrophobicContact CZ-CG 4.21Å; F342-L403 HydrophobicContact CE2-CD2 3.79Å; F342-L403 HydrophobicContact CE2-CG 4.3Å; F342-I408 HydrophobicContact CZ-CD1 4.49Å
343F96.4Very high90.9Very high3 Ų343.5 Ų43.51%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-135.1157.2170.466.9-99.4000111.4F268 A271 A272 I317 F328 Y330 V331 A345 V355 A356F268-F343 HydrophobicContact CB-CZ 4.3Å; F268-F343 HydrophobicContact CD1-CE2 4.27Å; F268-F343 HydrophobicContact CD1-CZ 4.26Å; A271-F343 HydrophobicContact CB-CE1 4.45Å; A271-F343 HydrophobicContact CB-CZ 4.41Å; A272-F343 HydrophobicContact CB-CD1 4.4Å; A272-F343 HydrophobicContact CB-CE1 3.96Å; I317-F343 HydrophobicContact CD1-CD1 4.28Å; I317-F343 HydrophobicContact CG2-CE1 4.35Å; I317-F343 HydrophobicContact CG2-CZ 4.41Å; F328-F343 AromaticContact CD1-CD2 3.99Å; F328-F343 HydrophobicContact CD1-CD2 3.99Å; F328-F343 HydrophobicContact CD1-CG 4.48Å; F328-F343 AromaticContact CE1-CD2 3.65Å; F328-F343 HydrophobicContact CE1-CD2 3.65Å; F328-F343 AromaticContact CE1-CE2 3.84Å; F328-F343 HydrophobicContact CE1-CE2 3.84Å; F328-F343 HydrophobicContact CE1-CG 4.24Å; Y330-F343 CarbonylContact O-C 3.51Å; Y330-F343 WeakPolarHBondContact O-CA 3.34Å; Y330-F343 WeakPolarHBondContact O-CB 3.26Å; V331-F343 HydrophobicContact CB-CB 4.39Å; V331-F343 HydrophobicContact CG1-CB 4.3Å; V331-F343 HydrophobicContact CG2-CB 4.12Å; F343-A345 HydrophobicContact CD2-CB 4.06Å; F343-A345 HydrophobicContact CE2-CB 4.08Å; F343-V355 WeakPolarHBondContact O-CA 3.43Å; F343-A356 HydrophobicContact CD1-CB 4.02Å; F343-A356 HydrophobicContact CD2-CB 4.18Å; F343-A356 HydrophobicContact CE1-CB 3.5Å; F343-A356 HydrophobicContact CE2-CB 3.67Å; F343-A356 HydrophobicContact CG-CB 4.35Å; F343-A356 HydrophobicContact CZ-CB 3.31Å; F343-A356 PolarHBondContact N-O 3.24Å; F343-A356 PolarHBondContact O-N 2.89Å
344V97.1Very high91.5Very high0 Ų042.1 Ų42.10%019%0.191CC..EExtended strand (participates in β ladder)trans-118122.2173.8-174.80000108.3I329 Y330 F342 V353 L354 V355 L403 I408I329-V344 HydrophobicContact CB-CB 4.37Å; I329-V344 HydrophobicContact CB-CG1 4.23Å; I329-V344 PolarHBondContact N-O 3.1Å; Y330-V344 PolarHBondContact N-O 3.16Å; Y330-V344 PolarHBondContact O-N 3.12Å; F342-V344 HydrophobicContact CD2-CG2 4.33Å; F342-V344 HydrophobicContact CE2-CG2 4.12Å; V344-V353 HydrophobicContact CG1-CG1 3.96Å; V344-L354 VanDerWaalsContact CA-O 3.29Å; V344-L354 WeakPolarHBondContact CA-O 3.37Å; V344-V355 HydrophobicContact CG2-CG2 4.26Å; V344-L403 HydrophobicContact CG2-CD2 3.54Å; V344-I408 HydrophobicContact CB-CG2 4.21Å; V344-I408 HydrophobicContact CG1-CG2 4.48Å; V344-I408 HydrophobicContact CG2-CG2 3.79Å
345A96.5Very high92.3Very high0 Ų039.5 Ų39.50%018%0.179CC..EExtended strand (participates in β ladder)trans-131.6151.8-179.100000111.5L323 D327 F328 F343 L354L323-A345 HydrophobicContact CD1-CB 3.84Å; D327-A345 CarbonylContact O-C 3.49Å; D327-A345 WeakPolarHBondContact O-CA 3.4Å; F328-A345 HydrophobicContact CD1-CB 3.89Å; F328-A345 HydrophobicContact CE1-CB 3.9Å; F328-A345 HydrophobicContact CG-CB 4.4Å; F328-A345 HydrophobicContact CZ-CB 4.39Å; F343-A345 HydrophobicContact CD2-CB 4.06Å; F343-A345 HydrophobicContact CE2-CB 4.08Å; A345-L354 PolarHBondContact N-O 2.95Å; A345-L354 PolarHBondContact O-N 3Å
346L96.9Very high93.1Very high5 Ų538 Ų383%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-96115.5172.4-54.6-172000108.3D327 I329 V353 A412 V415 V416D327-L346 PolarHBondContact O-N 2.79Å; I329-L346 HydrophobicContact CD1-CD1 4.05Å; I329-L346 HydrophobicContact CD1-CD2 4.44Å; I329-L346 HydrophobicContact CD1-CG 4.13Å; I329-L346 HydrophobicContact CG1-CD1 4.46Å; I329-L346 HydrophobicContact CG1-CD2 4Å; I329-L346 HydrophobicContact CG1-CG 4Å; L346-V353 HydrophobicContact CD2-CG1 4.44Å; L346-V353 HydrophobicContact CD2-CG2 3.9Å; L346-A412 HydrophobicContact CD2-CB 4.26Å; L346-V415 HydrophobicContact CD1-CG1 4.41Å; L346-V416 HydrophobicContact CD1-CG1 4.35Å; L346-V416 HydrophobicContact CD1-CG2 4.21Å; L346-V416 HydrophobicContact CD2-CG2 3.74Å
347D96.3Very high94.1Very high7 Ų734 Ų344%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-100.193.5169.9-175.9-9.4000109H264 K349 W350 E351 V352H264-D347 IonicContact CD2-OD2 3.99Å; H264-D347 IonicContact CE1-OD2 2.8Å; H264-D347 PolarHBondContact CE1-OD2 2.72Å; H264-D347 IonicContact NE2-OD2 3.02Å; H264-D347 PolarHBondContact NE2-OD2 3.33Å; D347-K349 PolarHBondContact O-N 3.05Å; D347-K349 WeakPolarHBondContact OD1-CB 3.29Å; D347-K349 PolarHBondContact OD1-N 3.44Å; D347-W350 PolarHBondContact O-N 2.91Å; D347-W350 PolarHBondContact OD1-N 3.07Å; D347-E351 PolarHBondContact O-N 3.27Å; D347-V352 HydrophobicContact CB-CG2 3.71Å; D347-V352 PolarHBondContact N-O 3.27Å; D347-V352 PolarHBondContact O-N 3.42Å; D347-V352 VanDerWaalsContact O-N 3.14Å
348H95.3Very high94.9Very high88 Ų8831.6 Ų31.641%0.40714%0.138SC..THydrogen-bonded Turntrans-65.5-23-179.6-65.5-59.8000113.6D327 W350 Y419D327-H348 IonicContact OD1-CD2 3.74Å; D327-H348 IonicContact OD1-NE2 3.87Å; H348-W350 VanDerWaalsContact C-N 3.34Å; H348-Y419 WeakPolarHBondContact CA-OH 3.38Å; H348-Y419 AromaticContact ND1-CE2 3.49Å; H348-Y419 WeakPolarHBondContact ND1-CE2 3.19Å; H348-Y419 AromaticContact ND1-CZ 3.52Å; H348-Y419 PolarHBondContact ND1-OH 3.31Å
349K93.3Very high95.2Very high179 Ų17928.1 Ų28.178%0.77813%0.125SC*.THydrogen-bonded Turntrans-72.2-34.1178.9-178.1-175.9174.2-169.90111.2D347D347-K349 PolarHBondContact O-N 3.05Å; D347-K349 WeakPolarHBondContact OD1-CB 3.29Å; D347-K349 PolarHBondContact OD1-N 3.44Å
350W94.6Very high94.7Very high84 Ų8426.9 Ų26.932%0.31812%0.121SC..THydrogen-bonded Turntrans-104.7-1.1-178.7-74.682.9000113.6N261 H264 D347 H348 V352N261-W350 WeakPolarHBondContact OD1-CH2 3.47Å; N261-W350 WeakPolarHBondContact OD1-CZ3 3.3Å; H264-W350 HydrophobicContact CB-CH2 4.45Å; H264-W350 HydrophobicContact CB-CZ2 3.86Å; H264-W350 AromaticContact CD2-CD1 3.76Å; H264-W350 AromaticContact CD2-CD2 3.88Å; H264-W350 AromaticContact CD2-CE2 3.64Å; H264-W350 AromaticContact CD2-CG 3.96Å; H264-W350 AromaticContact CD2-NE1 3.53Å; H264-W350 AromaticContact CE1-CD1 3.27Å; H264-W350 AromaticContact CE1-CE2 3.95Å; H264-W350 AromaticContact CE1-NE1 3.08Å; H264-W350 PolarHBondContact CE1-NE1 3.18Å; H264-W350 AromaticContact CG-CE2 3.61Å; H264-W350 AromaticContact CG-CZ2 3.78Å; H264-W350 AromaticContact CG-NE1 3.49Å; H264-W350 AromaticContact ND1-CD1 3.89Å; H264-W350 AromaticContact ND1-CE2 3.82Å; H264-W350 AromaticContact ND1-NE1 3.22Å; H264-W350 PolarHBondContact ND1-NE1 3.44Å; H264-W350 AromaticContact NE2-CD1 3.14Å; H264-W350 AromaticContact NE2-CE2 3.84Å; H264-W350 AromaticContact NE2-CG 3.61Å; H264-W350 AromaticContact NE2-NE1 3.26Å; H264-W350 PolarHBondContact NE2-NE1 3.38Å; D347-W350 PolarHBondContact O-N 2.91Å; D347-W350 PolarHBondContact OD1-N 3.07Å; H348-W350 VanDerWaalsContact C-N 3.34Å; W350-V352 VanDerWaalsContact C-N 3.32Å; W350-V352 HydrophobicContact CB-CG1 4.41Å; W350-V352 HydrophobicContact CB-CG2 4.07Å; W350-V352 WeakPolarHBondContact O-CG1 3.4Å; W350-V352 PolarHBondContact O-N 3.27Å
351E96.4Very high93.7Very high124 Ų12430.3 Ų30.358%0.57914%0.14SC*.THydrogen-bonded Turntrans55.545.6-177.9-58.1179.1154.100112.3D347 Y419 K420D347-E351 PolarHBondContact O-N 3.27Å; E351-Y419 VanDerWaalsContact C-CD2 3.45Å; E351-Y419 VanDerWaalsContact C-CG 3.44Å; E351-Y419 HydrophobicContact CB-CD1 3.87Å; E351-Y419 HydrophobicContact CB-CE1 3.81Å; E351-Y419 HydrophobicContact CB-CG 4.33Å; E351-Y419 HydrophobicContact CG-CD1 4.5Å; E351-Y419 HydrophobicContact CG-CE1 3.96Å; E351-Y419 VanDerWaalsContact O-CA 3.28Å; E351-Y419 WeakPolarHBondContact O-CA 2.9Å; E351-Y419 WeakPolarHBondContact O-CB 3.22Å; E351-K420 PolarHBondContact O-N 3.34Å
352V97.7Very high91.5Very high4 Ų431.8 Ų31.82%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-125.5141.9-179.1-59.30000113.3Y265 D347 W350 K420 V422Y265-V352 HydrophobicContact CE1-CG2 4.25Å; D347-V352 HydrophobicContact CB-CG2 3.71Å; D347-V352 PolarHBondContact N-O 3.27Å; D347-V352 PolarHBondContact O-N 3.42Å; D347-V352 VanDerWaalsContact O-N 3.14Å; W350-V352 VanDerWaalsContact C-N 3.32Å; W350-V352 HydrophobicContact CB-CG1 4.41Å; W350-V352 HydrophobicContact CB-CG2 4.07Å; W350-V352 WeakPolarHBondContact O-CG1 3.4Å; W350-V352 PolarHBondContact O-N 3.27Å; V352-K420 CarbonylContact C-O 3.5Å; V352-K420 VanDerWaalsContact CA-O 3.26Å; V352-K420 WeakPolarHBondContact CA-O 3.21Å; V352-K420 HydrophobicContact CG1-CB 4.32Å; V352-V422 HydrophobicContact CB-CG2 4.23Å; V352-V422 HydrophobicContact CG1-CG2 3.91Å
353V98.2Very high88.4Confident0 Ų038.7 Ų38.70%019%0.186CC..EExtended strand (participates in β ladder)trans-87.6114.4158.5-179.40000106.5V344 L346 L409 A412 F413 V416 K420 L421 V422V344-V353 HydrophobicContact CG1-CG1 3.96Å; L346-V353 HydrophobicContact CD2-CG1 4.44Å; L346-V353 HydrophobicContact CD2-CG2 3.9Å; V353-L409 HydrophobicContact CG1-CD2 4.29Å; V353-A412 HydrophobicContact CG1-CB 3.84Å; V353-A412 HydrophobicContact CG2-CB 4.3Å; V353-F413 HydrophobicContact CB-CE1 4.2Å; V353-F413 HydrophobicContact CB-CZ 3.94Å; V353-F413 HydrophobicContact CG1-CZ 4.42Å; V353-F413 HydrophobicContact CG2-CD1 4.08Å; V353-F413 HydrophobicContact CG2-CE1 3.59Å; V353-F413 HydrophobicContact CG2-CE2 4.49Å; V353-F413 HydrophobicContact CG2-CZ 3.82Å; V353-V416 HydrophobicContact CG2-CG2 3.82Å; V353-K420 PolarHBondContact N-O 3.43Å; V353-L421 HydrophobicContact CB-CD1 4.2Å; V353-L421 HydrophobicContact CG1-CD1 4.08Å; V353-L421 WeakPolarHBondContact O-CD1 3.09Å; V353-V422 PolarHBondContact O-N 3.4Å
354L97.9Very high86.3Confident0 Ų042 Ų420%020%0.201CC..EExtended strand (participates in β ladder)trans-105129.1-175.3-170.476.7000111.2Y265 F268 V344 A345 V422 T424Y265-L354 HydrophobicContact CD1-CD1 3.62Å; Y265-L354 HydrophobicContact CE1-CD1 3.88Å; F268-L354 HydrophobicContact CB-CD2 3.36Å; F268-L354 HydrophobicContact CD1-CD2 3.2Å; F268-L354 HydrophobicContact CD2-CD2 3.61Å; F268-L354 HydrophobicContact CE1-CD2 3.78Å; F268-L354 HydrophobicContact CE2-CD2 4.15Å; F268-L354 HydrophobicContact CG-CD2 3.09Å; F268-L354 HydrophobicContact CZ-CD2 4.21Å; V344-L354 VanDerWaalsContact CA-O 3.29Å; V344-L354 WeakPolarHBondContact CA-O 3.37Å; A345-L354 PolarHBondContact N-O 2.95Å; A345-L354 PolarHBondContact O-N 3Å; L354-V422 CarbonylContact C-O 3.53Å; L354-V422 WeakPolarHBondContact CA-O 3.42Å; L354-V422 HydrophobicContact CD1-CB 3.75Å; L354-V422 HydrophobicContact CD1-CG1 3.64Å; L354-T424 HydrophobicContact CD1-CG2 4.06Å; L354-T424 HydrophobicContact CD2-CG2 4.38Å; L354-T424 HydrophobicContact CG-CG2 4.37Å
355V98.5Very high84.5Confident0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-107.7112.4168.4-176.80000108.7F342 F343 V344 V357 L403 L409 L421 V422 V423 T424 L436F342-V355 HydrophobicContact CD2-CG1 4.27Å; F343-V355 WeakPolarHBondContact O-CA 3.43Å; V344-V355 HydrophobicContact CG2-CG2 4.26Å; V355-V357 HydrophobicContact CG1-CG2 4.44Å; V355-L403 HydrophobicContact CG1-CD1 3.99Å; V355-L403 HydrophobicContact CG2-CD1 4.05Å; V355-L403 HydrophobicContact CG2-CD2 4.32Å; V355-L409 HydrophobicContact CG2-CD2 4.28Å; V355-L421 HydrophobicContact CG2-CD1 4.1Å; V355-V422 PolarHBondContact N-O 3.21Å; V355-V423 HydrophobicContact CB-CG1 4.31Å; V355-V423 HydrophobicContact CB-CG2 4.38Å; V355-V423 HydrophobicContact CG1-CG1 4.46Å; V355-V423 CarbonylContact O-C 3.6Å; V355-V423 WeakPolarHBondContact O-CA 3.06Å; V355-T424 PolarHBondContact O-N 2.8Å; V355-L436 HydrophobicContact CG1-CD2 4.24Å
356A98Very high82.7Confident0 Ų044.9 Ų44.90%022%0.218CC..EExtended strand (participates in β ladder)trans-107.6120.3178.500000110.9F268 F342 F343 T424F268-A356 HydrophobicContact CB-CB 4.3Å; F342-A356 WeakPolarHBondContact CA-O 3.37Å; F342-A356 WeakPolarHBondContact CB-O 3.09Å; F343-A356 HydrophobicContact CD1-CB 4.02Å; F343-A356 HydrophobicContact CD2-CB 4.18Å; F343-A356 HydrophobicContact CE1-CB 3.5Å; F343-A356 HydrophobicContact CE2-CB 3.67Å; F343-A356 HydrophobicContact CG-CB 4.35Å; F343-A356 HydrophobicContact CZ-CB 3.31Å; F343-A356 PolarHBondContact N-O 3.24Å; F343-A356 PolarHBondContact O-N 2.89Å; A356-T424 WeakPolarHBondContact CA-O 3.48Å; A356-T424 HydrophobicContact CB-CG2 4.01Å
357V97.6Very high79.8Confident0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-102.4127.8-177.1-172.30000110.2I340 F342 V355 I399 T424 G425 T432 A433I340-V357 HydrophobicContact CG2-CG1 3.97Å; F342-V357 HydrophobicContact CB-CG2 4.44Å; V355-V357 HydrophobicContact CG1-CG2 4.44Å; V357-I399 HydrophobicContact CB-CD1 4.43Å; V357-I399 HydrophobicContact CG1-CD1 3.65Å; V357-I399 HydrophobicContact CG2-CD1 3.89Å; V357-T424 PolarHBondContact N-O 3.01Å; V357-G425 WeakPolarHBondContact O-CA 3.39Å; V357-T432 HydrophobicContact CG1-CG2 3.94Å; V357-A433 HydrophobicContact CG2-CB 4.43Å
358R94.3Very high77.9Confident25 Ų2549 Ų499%0.09424%0.24CC..  trans-71141179.4-168.4-164.378.5177.4-8111.1A272 N335 I340 P341 L361 D365 G429A272-R358 HydrophobicContact CB-CB 4.06Å; A272-R358 HydrophobicContact CB-CG 4.48Å; A272-R358 VanDerWaalsContact O-CG 3.32Å; A272-R358 WeakPolarHBondContact O-CG 3.32Å; N335-R358 PolarHBondContact ND2-NH1 3.06Å; N335-R358 PolarHBondContact ND2-NH2 3.03Å; N335-R358 PolarHBondContact OD1-NH2 3.02Å; I340-R358 HydrophobicContact CG2-CB 4.33Å; I340-R358 WeakPolarHBondContact CG2-O 3.26Å; P341-R358 HydrophobicContact CB-CB 4.02Å; P341-R358 VanDerWaalsContact CD-CZ 3.5Å; P341-R358 VanDerWaalsContact CG-CZ 3.45Å; P341-R358 VanDerWaalsContact O-CB 3.23Å; P341-R358 WeakPolarHBondContact O-CB 3.21Å; P341-R358 PolarHBondContact O-N 2.97Å; R358-L361 HydrophobicContact CG-CD1 4.15Å; R358-D365 IonicContact CZ-OD1 3.94Å; R358-D365 IonicContact CZ-OD2 2.66Å; R358-D365 IonicContact NH2-OD1 2.74Å; R358-D365 PolarHBondContact NH2-OD1 3.49Å; R358-D365 IonicContact NH2-OD2 2.73Å; R358-D365 PolarHBondContact NH2-OD2 2.87Å; R358-G429 WeakPolarHBondContact O-CA 3.46Å
359G89.2Confident76.4Confident0 Ų047.1 Ų47.10%023%0.232CC..  trans-85.3-162.6166.600000114.1Y273 L361 H426Y273-G359 VanDerWaalsContact OH-CA 3.3Å; Y273-G359 WeakPolarHBondContact OH-CA 3.26Å; G359-L361 PolarHBondContact O-N 2.99Å; G359-H426 WeakPolarHBondContact CA-O 2.9Å
360T78.7Confident75.1Confident37 Ų3744.6 Ų44.623%0.22723%0.226CC..  trans-66.6120.3-172.4-46.80000112.6D365 V366 D369 L428T360-D365 HydrophobicContact CG2-CB 3.61Å; T360-V366 HydrophobicContact CG2-CG2 3.8Å; T360-D369 WeakPolarHBondContact CG2-OD2 3.19Å; T360-D369 PolarHBondContact OG1-OD2 3.42Å; T360-L428 WeakPolarHBondContact OG1-CB 3.43Å
361L67.4Low73.7Confident74 Ų7441.4 Ų41.439%0.38722%0.217SC..  trans-137.9-1176.2-87.9177.4000114.4Y273 R358 G359 D365Y273-L361 HydrophobicContact CD1-CD1 3.33Å; Y273-L361 HydrophobicContact CD1-CD2 3.72Å; Y273-L361 HydrophobicContact CD1-CG 3.37Å; Y273-L361 HydrophobicContact CE1-CD1 4.19Å; Y273-L361 HydrophobicContact CE1-CD2 4.24Å; Y273-L361 HydrophobicContact CE1-CG 3.8Å; Y273-L361 HydrophobicContact CG-CD1 3.93Å; Y273-L361 HydrophobicContact CG-CG 4.42Å; Y273-L361 WeakPolarHBondContact O-CD1 3.23Å; R358-L361 HydrophobicContact CG-CD1 4.15Å; G359-L361 PolarHBondContact O-N 2.99Å; L361-D365 PolarHBondContact N-OD2 3.39Å
362S45.3Very low72.1Confident33 Ų3338.5 Ų38.523%0.23122%0.215CC..SBendtrans-144.8164.1-176.173.70000112.1N335 K364 D365 V366N335-S362 WeakPolarHBondContact ND2-CB 3.5Å; N335-S362 PolarHBondContact ND2-OG 2.96Å; S362-K364 PolarHBondContact O-N 3.46Å; S362-K364 PolarHBondContact OG-N 3.48Å; S362-D365 WeakPolarHBondContact CA-OD2 3.49Å; S362-D365 VanDerWaalsContact CB-OD2 3.31Å; S362-D365 WeakPolarHBondContact CB-OD2 3.17Å; S362-D365 PolarHBondContact N-OD2 3.36Å; S362-D365 WeakPolarHBondContact O-CB 3.5Å; S362-D365 PolarHBondContact O-N 3.03Å; S362-D365 PolarHBondContact OG-N 3.26Å; S362-D365 PolarHBondContact OG-OD2 3.03Å; S362-V366 PolarHBondContact O-N 3.21Å
363L30.4Very low71.2Confident149 Ų14943.5 Ų43.578%0.7824%0.238SC*.Hα-helixtrans-60.9-28.3175.1-67173.7000112.8V366 L367L363-V366 PolarHBondContact O-N 2.87Å; L363-L367 PolarHBondContact O-N 3.3Å; L363-L367 VanDerWaalsContact O-N 3.11Å
364K52.5Low70.6Confident74 Ų7446.4 Ų46.432%0.32226%0.257SS..Hα-helixtrans-68.9-40.3177.3-56.7-176.9-166.81740111.2N335 I337 S362 V366 L367 T368N335-K364 PolarHBondContact O-NZ 3.26Å; I337-K364 HydrophobicContact CG1-CB 4.25Å; I337-K364 HydrophobicContact CG1-CG 4.5Å; S362-K364 PolarHBondContact O-N 3.46Å; S362-K364 PolarHBondContact OG-N 3.48Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 2.92Å; K364-L367 WeakPolarHBondContact O-CB 2.96Å; K364-L367 PolarHBondContact O-N 3.44Å; K364-L367 VanDerWaalsContact O-N 3.14Å; K364-T368 PolarHBondContact O-N 3.43Å; K364-T368 PolarHBondContact O-OG1 2.98Å
365D60Low70.1Confident1 Ų149.5 Ų49.51%0.00527%0.271CS..Hα-helixtrans-61.6-40.9174.1-54.3-57.6000110.5R358 T360 L361 S362 L367 T368 D369 L428R358-D365 IonicContact CZ-OD1 3.94Å; R358-D365 IonicContact CZ-OD2 2.66Å; R358-D365 IonicContact NH2-OD1 2.74Å; R358-D365 PolarHBondContact NH2-OD1 3.49Å; R358-D365 IonicContact NH2-OD2 2.73Å; R358-D365 PolarHBondContact NH2-OD2 2.87Å; T360-D365 HydrophobicContact CG2-CB 3.61Å; L361-D365 PolarHBondContact N-OD2 3.39Å; S362-D365 WeakPolarHBondContact CA-OD2 3.49Å; S362-D365 VanDerWaalsContact CB-OD2 3.31Å; S362-D365 WeakPolarHBondContact CB-OD2 3.17Å; S362-D365 PolarHBondContact N-OD2 3.36Å; S362-D365 WeakPolarHBondContact O-CB 3.5Å; S362-D365 PolarHBondContact O-N 3.03Å; S362-D365 PolarHBondContact OG-N 3.26Å; S362-D365 PolarHBondContact OG-OD2 3.03Å; D365-L367 VanDerWaalsContact C-N 3.3Å; D365-L367 PolarHBondContact O-N 2.97Å; D365-T368 CarbonylContact O-C 3.56Å; D365-T368 WeakPolarHBondContact O-CA 3.09Å; D365-T368 WeakPolarHBondContact O-CB 3.25Å; D365-T368 PolarHBondContact O-N 3.49Å; D365-T368 VanDerWaalsContact O-N 3.08Å; D365-D369 PolarHBondContact O-N 3.33Å; D365-L428 HydrophobicContact CB-CD2 3.77Å
366V57.1Low69.7Low58 Ų5853.7 Ų53.735%0.35229%0.294SS..Hα-helixtrans-61.7-37.7175.31770000111.6T360 S362 L363 K364 T368 D369 L370T360-V366 HydrophobicContact CG2-CG2 3.8Å; S362-V366 PolarHBondContact O-N 3.21Å; L363-V366 PolarHBondContact O-N 2.87Å; K364-V366 VanDerWaalsContact C-N 3.29Å; K364-V366 PolarHBondContact O-N 2.92Å; V366-T368 VanDerWaalsContact C-N 3.33Å; V366-D369 PolarHBondContact O-N 3.3Å; V366-L370 HydrophobicContact CG1-CD1 3.84Å; V366-L370 HydrophobicContact CG1-CG 4.23Å; V366-L370 WeakPolarHBondContact O-CB 3.3Å; V366-L370 VanDerWaalsContact O-CG 3.23Å; V366-L370 WeakPolarHBondContact O-CG 3.37Å; V366-L370 PolarHBondContact O-N 3.33Å
367L37.5Very low69.4Low99 Ų9954 Ų5452%0.51830%0.295SS..Hα-helixtrans-66.2-36.5174.5-68.6174000111.9I337 L363 K364 D365 L370 S371I337-L367 HydrophobicContact CD1-CD1 4.2Å; L363-L367 PolarHBondContact O-N 3.3Å; L363-L367 VanDerWaalsContact O-N 3.11Å; K364-L367 WeakPolarHBondContact O-CB 2.96Å; K364-L367 PolarHBondContact O-N 3.44Å; K364-L367 VanDerWaalsContact O-N 3.14Å; D365-L367 VanDerWaalsContact C-N 3.3Å; D365-L367 PolarHBondContact O-N 2.97Å; L367-L370 PolarHBondContact O-N 2.8Å; L367-S371 PolarHBondContact O-N 3.29Å
368T56Low68.9Low1 Ų158.6 Ų58.61%0.00633%0.326CS..Hα-helixtrans-65.4-40.4172.1-63.50000111.7Y338 K364 D365 V366 S371 H389 G391 L428Y338-T368 HydrophobicContact CD1-CG2 3.98Å; Y338-T368 HydrophobicContact CE1-CG2 4.38Å; Y338-T368 PolarHBondContact N-OG1 3.34Å; K364-T368 PolarHBondContact O-N 3.43Å; K364-T368 PolarHBondContact O-OG1 2.98Å; D365-T368 CarbonylContact O-C 3.56Å; D365-T368 WeakPolarHBondContact O-CA 3.09Å; D365-T368 WeakPolarHBondContact O-CB 3.25Å; D365-T368 PolarHBondContact O-N 3.49Å; D365-T368 VanDerWaalsContact O-N 3.08Å; V366-T368 VanDerWaalsContact C-N 3.33Å; T368-S371 WeakPolarHBondContact O-CB 3.38Å; T368-S371 PolarHBondContact O-N 2.99Å; T368-H389 PolarHBondContact O-CE1 2.9Å; T368-G391 WeakPolarHBondContact CG2-O 3.16Å; T368-L428 HydrophobicContact CG2-CD1 4.08Å
369D63.5Low68.7Low47 Ų4758.5 Ų58.525%0.25133%0.327SS..Hα-helixtrans-65.9-33.8176.4-70.9-32.6000113.1T360 D365 V366 S371 M392 L428T360-D369 WeakPolarHBondContact CG2-OD2 3.19Å; T360-D369 PolarHBondContact OG1-OD2 3.42Å; D365-D369 PolarHBondContact O-N 3.33Å; V366-D369 PolarHBondContact O-N 3.3Å; D369-S371 VanDerWaalsContact C-N 3.27Å; D369-S371 PolarHBondContact O-N 3.38Å; D369-M392 WeakPolarHBondContact OD1-CE 3.46Å; D369-L428 WeakPolarHBondContact OD1-CB 3.31Å; D369-L428 VanDerWaalsContact OD1-CD1 3.3Å; D369-L428 WeakPolarHBondContact OD1-CD1 3.43Å
370L66.4Low68.4Low126 Ų12666.8 Ų66.866%0.6637%0.366SS*.THydrogen-bonded Turntrans-84.42-179-68.2175.4000113.5V366 L367 A372V366-L370 HydrophobicContact CG1-CD1 3.84Å; V366-L370 HydrophobicContact CG1-CG 4.23Å; V366-L370 WeakPolarHBondContact O-CB 3.3Å; V366-L370 VanDerWaalsContact O-CG 3.23Å; V366-L370 WeakPolarHBondContact O-CG 3.37Å; V366-L370 PolarHBondContact O-N 3.33Å; L367-L370 PolarHBondContact O-N 2.8Å; L370-A372 VanDerWaalsContact C-N 3.27Å; L370-A372 PolarHBondContact O-N 3.35Å
371S64.4Low68.4Low17 Ų1769.1 Ų69.112%0.11940%0.398CS..  trans-72.180.9175.7-171.10000110.6L367 T368 D369 E373 H389L367-S371 PolarHBondContact O-N 3.29Å; T368-S371 WeakPolarHBondContact O-CB 3.38Å; T368-S371 PolarHBondContact O-N 2.99Å; D369-S371 VanDerWaalsContact C-N 3.27Å; D369-S371 PolarHBondContact O-N 3.38Å; S371-E373 PolarHBondContact O-N 3.05Å; S371-H389 PolarHBondContact O-CE1 3.24Å; S371-H389 PolarHBondContact O-NE2 3.1Å; S371-H389 VanDerWaalsContact O-NE2 3.08Å
372A63.9Low69.4Low64 Ų6467 Ų6753%0.52939%0.388SS..  trans-70.99.8-175.700000115L370 I486L370-A372 VanDerWaalsContact C-N 3.27Å; L370-A372 PolarHBondContact O-N 3.35Å; A372-I486 HydrophobicContact CB-CD1 4.29Å
373E78.3Confident71.2Confident109 Ų10971 Ų7151%0.50942%0.415SS..  trans-85.8148.9179.8-70.3176.2-160.700111.4S371 K390S371-E373 PolarHBondContact O-N 3.05Å; E373-K390 HydrophobicContact CB-CB 4.07Å; E373-K390 HydrophobicContact CB-CD 3.8Å; E373-K390 VanDerWaalsContact O-CB 3.25Å; E373-K390 WeakPolarHBondContact O-CB 3.44Å; E373-K390 PolarHBondContact O-N 3.11Å; E373-K390 WeakPolarHBondContact OE2-CD 3.46Å; E373-K390 WeakPolarHBondContact OE2-CE 3.46Å; E373-K390 IonicContact OE2-NZ 3.19Å; E373-K390 PolarHBondContact OE2-NZ 2.95Å
374C84.8Confident73.7Confident60 Ų6066.3 Ų66.341%0.40540%0.404SS..EExtended strand (participates in β ladder)trans-99140.6172.5-610000110A388C374-A388 CarbonylContact C-O 3.48Å; C374-A388 WeakPolarHBondContact CA-O 3.36Å
375E88.3Confident75.2Confident65 Ų6565.7 Ų65.730%0.30441%0.407SS..EExtended strand (participates in β ladder)trans-118.4145172.5-168167.816200110Y387 A388 K390 Y393E375-Y387 CarbonylContact O-C 3.45Å; E375-Y387 WeakPolarHBondContact O-CA 3.12Å; E375-A388 PolarHBondContact N-O 3.39Å; E375-A388 PolarHBondContact O-N 3.39Å; E375-K390 HydrophobicContact CB-CB 4.17Å; E375-K390 HydrophobicContact CB-CG 4.4Å; E375-Y393 HydrophobicContact CB-CD1 4Å; E375-Y393 VanDerWaalsContact CD-CD1 3.47Å; E375-Y393 HydrophobicContact CG-CD1 3.85Å; E375-Y393 HydrophobicContact CG-CE1 3.99Å; E375-Y393 WeakPolarHBondContact OE1-CE1 3.33Å
376N90.6Very high76.7Confident88 Ų8865.9 Ų65.947%0.47141%0.408SS..EExtended strand (participates in β ladder)trans-76.3128.1-179.2-171.428.5000110.3C386 Y387N376-C386 PolarHBondContact OD1-O 2.95Å; N376-Y387 HydrophobicContact CB-CD1 4.22Å; N376-Y387 HydrophobicContact CB-CE1 4.08Å
377L90.8Very high78.4Confident6 Ų667.1 Ų67.13%0.03141%0.407CS..  trans-127.579.3178.5176.955.3000109V379 C386 A388 Y393 L435 I438 L439 L463L377-V379 HydrophobicContact CG-CG2 4.33Å; L377-V379 PolarHBondContact O-N 3Å; L377-C386 PolarHBondContact N-O 3.45Å; L377-C386 WeakPolarHBondContact O-CB 3.19Å; L377-A388 HydrophobicContact CB-CB 4.42Å; L377-A388 HydrophobicContact CD2-CB 4.3Å; L377-Y393 HydrophobicContact CD1-CD2 4.44Å; L377-Y393 HydrophobicContact CD1-CE2 3.59Å; L377-Y393 HydrophobicContact CD2-CD2 4.22Å; L377-Y393 HydrophobicContact CD2-CE2 4.16Å; L377-Y393 HydrophobicContact CG-CE2 4.33Å; L377-L435 HydrophobicContact CD2-CD2 3.81Å; L377-I438 HydrophobicContact CD2-CG2 4.07Å; L377-L439 HydrophobicContact CD1-CD2 4.02Å; L377-L463 HydrophobicContact CB-CD1 4.24Å; L377-L463 HydrophobicContact CD2-CD1 4.35Å; L377-L463 HydrophobicContact CG-CD1 4.48Å
378P88Confident81.1Confident98 Ų9862.4 Ų62.464%0.63638%0.383SS*.  trans-65.8128.6177.727.6-33.1000110.1
379V89.1Confident82.7Confident22 Ų2263.3 Ų63.313%0.13339%0.387CS..  trans-117.9130.5175.9178.30000108.6L377 G381 V382 I438 L463 Y466L377-V379 HydrophobicContact CG-CG2 4.33Å; L377-V379 PolarHBondContact O-N 3Å; V379-G381 PolarHBondContact O-N 3.46Å; V379-V382 HydrophobicContact CB-CB 4.28Å; V379-V382 HydrophobicContact CB-CG2 3.9Å; V379-V382 HydrophobicContact CG1-CG2 3.83Å; V379-V382 PolarHBondContact O-N 2.97Å; V379-V382 VanDerWaalsContact O-N 3.16Å; V379-I438 HydrophobicContact CG2-CG2 3.72Å; V379-L463 HydrophobicContact CB-CD2 4.26Å; V379-L463 HydrophobicContact CG2-CD2 3.6Å; V379-Y466 HydrophobicContact CG1-CD1 4.36Å; V379-Y466 HydrophobicContact CG1-CE1 3.81Å; V379-Y466 HydrophobicContact CG1-CE2 4.25Å
380E83.6Confident83.9Confident175 Ų17563.7 Ų63.782%0.81839%0.386SS*.THydrogen-bonded Turntrans-59.3130.7177.5-68.2-174.7174.300110.8V382E380-V382 VanDerWaalsContact C-N 3.33Å
381G78.9Confident85Confident86 Ų8657.7 Ų57.789%0.88736%0.355SS*.THydrogen-bonded Turntrans84.8-3.9-178.700000115.4V379V379-G381 PolarHBondContact O-N 3.46Å
382V87.2Confident86.3Confident29 Ų2957.1 Ų57.118%0.17635%0.35CS..  trans-100.3112.4174.2-174.40000110V379 E380 P462 Y466V379-V382 HydrophobicContact CB-CB 4.28Å; V379-V382 HydrophobicContact CB-CG2 3.9Å; V379-V382 HydrophobicContact CG1-CG2 3.83Å; V379-V382 PolarHBondContact O-N 2.97Å; V379-V382 VanDerWaalsContact O-N 3.16Å; E380-V382 VanDerWaalsContact C-N 3.33Å; V382-P462 HydrophobicContact CG1-CB 3.6Å; V382-Y466 HydrophobicContact CG2-CD1 4.36Å; V382-Y466 HydrophobicContact CG2-CD2 3.5Å; V382-Y466 HydrophobicContact CG2-CE2 4.07Å; V382-Y466 HydrophobicContact CG2-CG 3.65Å
383S83.8Confident87.8Confident116 Ų11656.3 Ų56.381%0.81133%0.334SS*.  trans-80.7134.3177-66.40000111.5
384G83.3Confident88.6Confident52 Ų5254.2 Ų54.254%0.53632%0.324SS..SBendtrans107.6-175.2173.100000114.5C386G384-C386 PolarHBondContact O-N 3.32Å; G384-C386 PolarHBondContact O-SG 2.86Å; G384-C386 VanDerWaalsContact O-SG 3.38Å
385P84.9Confident89Confident61 Ų6151.4 Ų51.440%0.39631%0.305SS..  trans-68.6111.2-177.924.2-30.8000111.8Y387 S460 M573P385-Y387 HydrophobicContact CB-CD2 3.81Å; P385-Y387 HydrophobicContact CB-CE2 3.41Å; P385-Y387 VanDerWaalsContact CB-CE2 3.41Å; P385-S460 WeakPolarHBondContact O-CB 3.21Å; P385-S460 PolarHBondContact O-OG 2.89Å; P385-M573 HydrophobicContact CB-CE 3.58Å; P385-M573 HydrophobicContact CB-SD 4.47Å; P385-M573 HydrophobicContact CG-CE 3.37Å
386C91.6Very high89.4Confident4 Ų448.3 Ų48.33%0.02729%0.29CS..  trans-101.899.9-179.5-62.20000109.9N376 L377 G384 S460 L463N376-C386 PolarHBondContact OD1-O 2.95Å; L377-C386 PolarHBondContact N-O 3.45Å; L377-C386 WeakPolarHBondContact O-CB 3.19Å; G384-C386 PolarHBondContact O-N 3.32Å; G384-C386 PolarHBondContact O-SG 2.86Å; G384-C386 VanDerWaalsContact O-SG 3.38Å; C386-S460 WeakPolarHBondContact CA-OG 3.28Å; C386-L463 HydrophobicContact CB-CD1 3.94Å; C386-L463 HydrophobicContact CB-CD2 4.04Å; C386-L463 HydrophobicContact CB-CG 3.88Å
387Y92.1Very high89.7Confident85 Ų8545 Ų4533%0.33328%0.278SS..EExtended strand (participates in β ladder)trans-123.7145.3-178.2-63.9-76.8000111.2E375 N376 P385 L459 S460 L463 M573E375-Y387 CarbonylContact O-C 3.45Å; E375-Y387 WeakPolarHBondContact O-CA 3.12Å; N376-Y387 HydrophobicContact CB-CD1 4.22Å; N376-Y387 HydrophobicContact CB-CE1 4.08Å; P385-Y387 HydrophobicContact CB-CD2 3.81Å; P385-Y387 HydrophobicContact CB-CE2 3.41Å; P385-Y387 VanDerWaalsContact CB-CE2 3.41Å; Y387-L459 CarbonylContact O-C 3.58Å; Y387-S460 PolarHBondContact N-OG 3.17Å; Y387-S460 PolarHBondContact O-N 2.92Å; Y387-L463 WeakPolarHBondContact O-CD1 3.32Å; Y387-M573 HydrophobicContact CD2-CE 4.19Å; Y387-M573 HydrophobicContact CD2-SD 3.34Å; Y387-M573 WeakPolarHBondContact CD2-SD 3.34Å; Y387-M573 HydrophobicContact CE2-CE 4.15Å; Y387-M573 HydrophobicContact CE2-SD 3.52Å; Y387-M573 VanDerWaalsContact CE2-SD 3.52Å; Y387-M573 HydrophobicContact CG-SD 4.38Å
388A93.3Very high90Very high0 Ų046.3 Ų46.30%028%0.283CS..EExtended strand (participates in β ladder)trans-131160.417700000111.2C374 E375 L377 K390 L435 L458 L459C374-A388 CarbonylContact C-O 3.48Å; C374-A388 WeakPolarHBondContact CA-O 3.36Å; E375-A388 PolarHBondContact N-O 3.39Å; E375-A388 PolarHBondContact O-N 3.39Å; L377-A388 HydrophobicContact CB-CB 4.42Å; L377-A388 HydrophobicContact CD2-CB 4.3Å; A388-K390 PolarHBondContact O-N 2.84Å; A388-L435 HydrophobicContact CB-CD1 4.42Å; A388-L435 HydrophobicContact CB-CD2 3.54Å; A388-L458 CarbonylContact C-O 3.55Å; A388-L458 VanDerWaalsContact CA-O 3.28Å; A388-L458 WeakPolarHBondContact CA-O 3.28Å; A388-L459 HydrophobicContact CB-CD2 4.22Å
389H90.7Very high90.4Very high19 Ų1941.7 Ų41.79%0.08825%0.252CS..EExtended strand (participates in β ladder)trans-61.1118.3171.7-174-67.2000111T368 S371 G391 M392 Y393 L458T368-H389 PolarHBondContact O-CE1 2.9Å; S371-H389 PolarHBondContact O-CE1 3.24Å; S371-H389 PolarHBondContact O-NE2 3.1Å; S371-H389 VanDerWaalsContact O-NE2 3.08Å; H389-G391 PolarHBondContact ND1-N 2.79Å; H389-G391 PolarHBondContact O-N 2.82Å; H389-M392 PolarHBondContact ND1-N 3.35Å; H389-M392 PolarHBondContact O-N 2.98Å; H389-Y393 WeakPolarHBondContact O-CB 3.37Å; H389-Y393 PolarHBondContact O-N 3.09Å; H389-L458 HydrophobicContact CB-CD1 4.14Å; H389-L458 PolarHBondContact N-O 3.21Å
390K88.9Confident90.8Very high56 Ų5643.7 Ų43.724%0.24326%0.258CS..Hα-helixtrans-53.4-54.2-172.4177173.9179.2176.90113.1E373 E375 A388 M392 Y393 Q394E373-K390 HydrophobicContact CB-CB 4.07Å; E373-K390 HydrophobicContact CB-CD 3.8Å; E373-K390 VanDerWaalsContact O-CB 3.25Å; E373-K390 WeakPolarHBondContact O-CB 3.44Å; E373-K390 PolarHBondContact O-N 3.11Å; E373-K390 WeakPolarHBondContact OE2-CD 3.46Å; E373-K390 WeakPolarHBondContact OE2-CE 3.46Å; E373-K390 IonicContact OE2-NZ 3.19Å; E373-K390 PolarHBondContact OE2-NZ 2.95Å; E375-K390 HydrophobicContact CB-CB 4.17Å; E375-K390 HydrophobicContact CB-CG 4.4Å; A388-K390 PolarHBondContact O-N 2.84Å; K390-M392 PolarHBondContact O-N 3.47Å; K390-Y393 PolarHBondContact O-N 3.33Å; K390-Q394 WeakPolarHBondContact O-CG 3.23Å; K390-Q394 PolarHBondContact O-N 3.15Å
391G89.1Confident91.4Very high0 Ų041.4 Ų41.40%025%0.245CC..Hα-helixtrans-59-43.4-176.400000114T368 H389 A395T368-G391 WeakPolarHBondContact CG2-O 3.16Å; H389-G391 PolarHBondContact ND1-N 2.79Å; H389-G391 PolarHBondContact O-N 2.82Å; G391-A395 PolarHBondContact O-N 3.25Å; G391-A395 VanDerWaalsContact O-N 3.13Å
392M91.9Very high92.2Very high5 Ų540 Ų403%0.02522%0.215CC..Hα-helixtrans-74.4-31.4179.7-57.5-165.2-177.200112.3D369 H389 K390 A395 A396 L428 L435 P455 L458D369-M392 WeakPolarHBondContact OD1-CE 3.46Å; H389-M392 PolarHBondContact ND1-N 3.35Å; H389-M392 PolarHBondContact O-N 2.98Å; K390-M392 PolarHBondContact O-N 3.47Å; M392-A395 PolarHBondContact O-N 2.96Å; M392-A396 WeakPolarHBondContact O-CB 3.48Å; M392-A396 PolarHBondContact O-N 3.43Å; M392-L428 HydrophobicContact CE-CD1 3.63Å; M392-L428 HydrophobicContact CG-CD1 3.65Å; M392-L428 HydrophobicContact SD-CD1 3.95Å; M392-L435 HydrophobicContact CB-CD1 3.78Å; M392-P455 HydrophobicContact CE-CB 4.28Å; M392-P455 HydrophobicContact CE-CG 3.63Å; M392-P455 HydrophobicContact SD-CG 3.56Å; M392-P455 VanDerWaalsContact SD-CG 3.56Å; M392-L458 HydrophobicContact CB-CD1 4.11Å; M392-L458 HydrophobicContact CG-CD1 4.42Å; M392-L458 HydrophobicContact SD-CD1 3.67Å
393Y95.1Very high92.6Very high47 Ų4738.6 Ų38.618%0.18421%0.206CC..Hα-helixtrans-67.4-43.4173.8176.2-125000111.9E375 L377 H389 K390 A395 A396 G397 L439E375-Y393 HydrophobicContact CB-CD1 4Å; E375-Y393 VanDerWaalsContact CD-CD1 3.47Å; E375-Y393 HydrophobicContact CG-CD1 3.85Å; E375-Y393 HydrophobicContact CG-CE1 3.99Å; E375-Y393 WeakPolarHBondContact OE1-CE1 3.33Å; L377-Y393 HydrophobicContact CD1-CD2 4.44Å; L377-Y393 HydrophobicContact CD1-CE2 3.59Å; L377-Y393 HydrophobicContact CD2-CD2 4.22Å; L377-Y393 HydrophobicContact CD2-CE2 4.16Å; L377-Y393 HydrophobicContact CG-CE2 4.33Å; H389-Y393 WeakPolarHBondContact O-CB 3.37Å; H389-Y393 PolarHBondContact O-N 3.09Å; K390-Y393 PolarHBondContact O-N 3.33Å; Y393-A395 VanDerWaalsContact C-N 3.31Å; Y393-A395 PolarHBondContact O-N 2.94Å; Y393-A396 PolarHBondContact O-N 3.4Å; Y393-G397 PolarHBondContact O-N 2.93Å; Y393-L439 HydrophobicContact CE2-CD1 4.23Å; Y393-L439 HydrophobicContact CE2-CD2 4.15Å
394Q94Very high93.2Very high65 Ų6535.2 Ų35.230%0.30418%0.181SC..Hα-helixtrans-61.9-40.7174.1-69.5-173.2-15.900111.8Y338 K390 G397 Y398Y338-Q394 HydrophobicContact CD1-CB 4.05Å; Y338-Q394 VanDerWaalsContact CD2-OE1 3.23Å; Y338-Q394 HydrophobicContact CG-CB 3.94Å; Y338-Q394 VanDerWaalsContact CZ-OE1 3.25Å; K390-Q394 WeakPolarHBondContact O-CG 3.23Å; K390-Q394 PolarHBondContact O-N 3.15Å; Q394-G397 PolarHBondContact O-N 3.06Å; Q394-Y398 PolarHBondContact O-N 3.08Å
395A94.3Very high93.6Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-63-41.6173.300000113.1Y338 I340 G391 M392 Y393 G397 Y398 I399 T432Y338-A395 VanDerWaalsContact O-CA 3.28Å; Y338-A395 WeakPolarHBondContact O-CA 3.22Å; I340-A395 HydrophobicContact CD1-CB 3.44Å; I340-A395 VanDerWaalsContact CD1-CB 3.44Å; I340-A395 HydrophobicContact CG1-CB 3.84Å; G391-A395 PolarHBondContact O-N 3.25Å; G391-A395 VanDerWaalsContact O-N 3.13Å; M392-A395 PolarHBondContact O-N 2.96Å; Y393-A395 VanDerWaalsContact C-N 3.31Å; Y393-A395 PolarHBondContact O-N 2.94Å; A395-G397 VanDerWaalsContact C-N 3.31Å; A395-G397 PolarHBondContact O-N 2.92Å; A395-Y398 WeakPolarHBondContact O-CB 3.42Å; A395-Y398 PolarHBondContact O-N 3.46Å; A395-I399 WeakPolarHBondContact O-CG1 3.31Å; A395-I399 PolarHBondContact O-N 3.16Å; A395-I399 VanDerWaalsContact O-N 3.15Å; A395-T432 HydrophobicContact CB-CG2 4.03Å
396A97.1Very high94Very high0 Ų039.6 Ų39.60%019%0.188CC..Hα-helixtrans-63.3-40174.400000111.2M392 Y393 Y398 I399 Y400 T432 L435 L436 L439M392-A396 WeakPolarHBondContact O-CB 3.48Å; M392-A396 PolarHBondContact O-N 3.43Å; Y393-A396 PolarHBondContact O-N 3.4Å; A396-Y398 PolarHBondContact O-N 3.47Å; A396-I399 PolarHBondContact O-N 3.47Å; A396-Y400 WeakPolarHBondContact O-CB 3.49Å; A396-Y400 PolarHBondContact O-N 3.41Å; A396-T432 HydrophobicContact CB-CG2 4.1Å; A396-L435 HydrophobicContact CB-CB 3.71Å; A396-L436 HydrophobicContact CB-CB 4.19Å; A396-L439 HydrophobicContact CB-CD1 4.21Å
397G96.5Very high94.2Very high20 Ų2040.3 Ų40.321%0.20620%0.197CC..Hα-helixtrans-63.6-36.2175.300000113.6Y393 Q394 A395 K401Y393-G397 PolarHBondContact O-N 2.93Å; Q394-G397 PolarHBondContact O-N 3.06Å; A395-G397 VanDerWaalsContact C-N 3.31Å; A395-G397 PolarHBondContact O-N 2.92Å; G397-K401 VanDerWaalsContact O-CG 3.29Å; G397-K401 WeakPolarHBondContact O-CG 3.46Å; G397-K401 PolarHBondContact O-N 3.47Å; G397-K401 VanDerWaalsContact O-N 3.09Å
398Y96.1Very high94.3Very high33 Ų3336.7 Ų36.713%0.12918%0.183CC..Hα-helixtrans-61.3-51.3171.5168.8-99.9000111.4E339 F342 Q394 A395 A396 Y400 K401 K402E339-Y398 HydrophobicContact CB-CD1 4.18Å; E339-Y398 HydrophobicContact CB-CD2 4.22Å; E339-Y398 HydrophobicContact CB-CE1 3.99Å; E339-Y398 HydrophobicContact CB-CE2 4.01Å; E339-Y398 HydrophobicContact CB-CG 4.28Å; E339-Y398 HydrophobicContact CG-CD1 4.46Å; E339-Y398 HydrophobicContact CG-CD2 3.67Å; E339-Y398 HydrophobicContact CG-CE1 4.48Å; E339-Y398 HydrophobicContact CG-CE2 3.66Å; E339-Y398 HydrophobicContact CG-CG 4.06Å; E339-Y398 WeakPolarHBondContact OE2-CE2 3.48Å; E339-Y398 PolarHBondContact OE2-OH 3.34Å; F342-Y398 HydrophobicContact CE1-CE1 4.28Å; Q394-Y398 PolarHBondContact O-N 3.08Å; A395-Y398 WeakPolarHBondContact O-CB 3.42Å; A395-Y398 PolarHBondContact O-N 3.46Å; A396-Y398 PolarHBondContact O-N 3.47Å; Y398-Y400 VanDerWaalsContact C-N 3.34Å; Y398-Y400 PolarHBondContact O-N 3.32Å; Y398-K401 PolarHBondContact O-N 3.38Å; Y398-K402 HydrophobicContact CE1-CG 4.37Å; Y398-K402 HydrophobicContact CE2-CG 4.48Å; Y398-K402 PolarHBondContact O-N 2.98Å; Y398-K402 VanDerWaalsContact O-N 3.16Å
399I97.1Very high94.5Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-64.2-41.6-179.5-60.1176.6000110.3F342 V357 A395 A396 K401 K402 L403 T432 L436F342-I399 HydrophobicContact CB-CD1 4.27Å; F342-I399 HydrophobicContact CD1-CB 4.48Å; F342-I399 HydrophobicContact CD1-CD1 4.1Å; F342-I399 HydrophobicContact CD1-CG1 3.78Å; F342-I399 HydrophobicContact CD1-CG2 4.11Å; F342-I399 HydrophobicContact CD2-CG2 4.06Å; F342-I399 HydrophobicContact CE1-CB 4.43Å; F342-I399 HydrophobicContact CE1-CG1 4.06Å; F342-I399 HydrophobicContact CE1-CG2 4.11Å; F342-I399 HydrophobicContact CE2-CG2 4.05Å; F342-I399 HydrophobicContact CG-CD1 4.29Å; F342-I399 HydrophobicContact CG-CG1 4.33Å; F342-I399 HydrophobicContact CG-CG2 4.09Å; F342-I399 HydrophobicContact CZ-CG2 4.07Å; V357-I399 HydrophobicContact CB-CD1 4.43Å; V357-I399 HydrophobicContact CG1-CD1 3.65Å; V357-I399 HydrophobicContact CG2-CD1 3.89Å; A395-I399 WeakPolarHBondContact O-CG1 3.31Å; A395-I399 PolarHBondContact O-N 3.16Å; A395-I399 VanDerWaalsContact O-N 3.15Å; A396-I399 PolarHBondContact O-N 3.47Å; I399-K401 VanDerWaalsContact C-N 3.33Å; I399-K401 PolarHBondContact O-N 3.44Å; I399-K402 WeakPolarHBondContact O-CB 3.24Å; I399-K402 PolarHBondContact O-N 3.06Å; I399-K402 VanDerWaalsContact O-N 3.11Å; I399-L403 HydrophobicContact CG2-CD1 3.68Å; I399-L403 HydrophobicContact CG2-CG 3.9Å; I399-L403 WeakPolarHBondContact O-CB 3.38Å; I399-L403 WeakPolarHBondContact O-CG 3.41Å; I399-L403 PolarHBondContact O-N 3.34Å; I399-T432 HydrophobicContact CD1-CG2 3.83Å; I399-L436 HydrophobicContact CB-CD1 4.48Å; I399-L436 HydrophobicContact CB-CD2 4.18Å; I399-L436 HydrophobicContact CG2-CD1 4.34Å; I399-L436 HydrophobicContact CG2-CD2 3.53Å
400Y97.4Very high94.7Very high65 Ų6541.2 Ų41.226%0.25521%0.208SC..Hα-helixtrans-55.7-46.1175.5180-86000111.9A396 Y398 K402 L403 V404 L436 L439 L440A396-Y400 WeakPolarHBondContact O-CB 3.49Å; A396-Y400 PolarHBondContact O-N 3.41Å; Y398-Y400 VanDerWaalsContact C-N 3.34Å; Y398-Y400 PolarHBondContact O-N 3.32Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 2.97Å; Y400-L403 PolarHBondContact O-N 3.41Å; Y400-V404 HydrophobicContact CD2-CG2 4.1Å; Y400-V404 HydrophobicContact CE1-CB 4.2Å; Y400-V404 HydrophobicContact CE1-CG2 4.24Å; Y400-V404 HydrophobicContact CE2-CG2 3.81Å; Y400-V404 HydrophobicContact CG-CG2 4.46Å; Y400-V404 WeakPolarHBondContact O-CB 3.27Å; Y400-V404 PolarHBondContact O-N 2.97Å; Y400-L436 HydrophobicContact CD2-CD1 4.43Å; Y400-L439 HydrophobicContact CD2-CB 3.78Å; Y400-L439 HydrophobicContact CE2-CB 4.18Å; Y400-L440 HydrophobicContact CD2-CD2 3.74Å; Y400-L440 HydrophobicContact CD2-CG 4.12Å; Y400-L440 HydrophobicContact CE2-CD2 3.72Å; Y400-L440 HydrophobicContact CE2-CG 4.36Å
401K96.4Very high94.9Very high127 Ų12743.3 Ų43.355%0.55222%0.218SC*.Iπ-helixtrans-59.4-43.5176.4-71.9168.4-175.6175.30111.3G397 Y398 I399 N405 D406G397-K401 VanDerWaalsContact O-CG 3.29Å; G397-K401 WeakPolarHBondContact O-CG 3.46Å; G397-K401 PolarHBondContact O-N 3.47Å; G397-K401 VanDerWaalsContact O-N 3.09Å; Y398-K401 PolarHBondContact O-N 3.38Å; I399-K401 VanDerWaalsContact C-N 3.33Å; I399-K401 PolarHBondContact O-N 3.44Å; K401-N405 WeakPolarHBondContact O-CA 3.43Å; K401-N405 WeakPolarHBondContact O-CB 3.34Å; K401-N405 PolarHBondContact O-N 3.42Å; K401-D406 PolarHBondContact O-N 3.49Å; K401-D406 VanDerWaalsContact O-N 3.08Å
402K95.1Very high95.2Very high55 Ų5543.3 Ų43.324%0.23922%0.218CC..Iπ-helixtrans-63.7-46175.3-66.6-53.6-169179.30112.4F342 Y398 I399 Y400 D406 I408F342-K402 HydrophobicContact CE1-CB 4.24Å; F342-K402 HydrophobicContact CE1-CG 4.3Å; F342-K402 HydrophobicContact CZ-CB 3.7Å; F342-K402 HydrophobicContact CZ-CG 4.21Å; Y398-K402 HydrophobicContact CE1-CG 4.37Å; Y398-K402 HydrophobicContact CE2-CG 4.48Å; Y398-K402 PolarHBondContact O-N 2.98Å; Y398-K402 VanDerWaalsContact O-N 3.16Å; I399-K402 WeakPolarHBondContact O-CB 3.24Å; I399-K402 PolarHBondContact O-N 3.06Å; I399-K402 VanDerWaalsContact O-N 3.11Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 2.97Å; K402-D406 WeakPolarHBondContact CD-OD2 3.44Å; K402-D406 WeakPolarHBondContact CE-OD2 3.38Å; K402-D406 IonicContact NZ-OD2 3.76Å; K402-D406 PolarHBondContact NZ-OD2 3.2Å; K402-D406 WeakPolarHBondContact O-CB 3.41Å; K402-I408 HydrophobicContact CB-CD1 4.01Å; K402-I408 VanDerWaalsContact O-CD1 3.25Å; K402-I408 WeakPolarHBondContact O-CD1 3.21Å; K402-I408 WeakPolarHBondContact O-CG1 3.24Å
403L96.4Very high95.4Very high0 Ų044.7 Ų44.70%023%0.225CC..Iπ-helixtrans-68-43.1-175.9-72.6-177.4000113.2F342 V344 V355 I399 Y400 I408 L409 L436 L440F342-L403 HydrophobicContact CE2-CD2 3.79Å; F342-L403 HydrophobicContact CE2-CG 4.3Å; V344-L403 HydrophobicContact CG2-CD2 3.54Å; V355-L403 HydrophobicContact CG1-CD1 3.99Å; V355-L403 HydrophobicContact CG2-CD1 4.05Å; V355-L403 HydrophobicContact CG2-CD2 4.32Å; I399-L403 HydrophobicContact CG2-CD1 3.68Å; I399-L403 HydrophobicContact CG2-CG 3.9Å; I399-L403 WeakPolarHBondContact O-CB 3.38Å; I399-L403 WeakPolarHBondContact O-CG 3.41Å; I399-L403 PolarHBondContact O-N 3.34Å; Y400-L403 PolarHBondContact O-N 3.41Å; L403-I408 HydrophobicContact CD2-CB 4.34Å; L403-I408 HydrophobicContact CD2-CG2 4.18Å; L403-I408 PolarHBondContact O-N 2.86Å; L403-L409 HydrophobicContact CB-CD1 3.91Å; L403-L409 HydrophobicContact CB-CG 3.9Å; L403-L409 HydrophobicContact CD1-CD1 4.39Å; L403-L409 HydrophobicContact CD2-CD2 4.21Å; L403-L409 HydrophobicContact CD2-CG 4.13Å; L403-L409 HydrophobicContact CG-CG 4.42Å; L403-L409 PolarHBondContact O-N 3.44Å; L403-L436 HydrophobicContact CD1-CD1 4.3Å; L403-L436 HydrophobicContact CD1-CD2 3.9Å; L403-L440 HydrophobicContact CD1-CD1 4.31Å
404V95.7Very high95.4Very high46 Ų4646.8 Ų46.828%0.27925%0.246SC..Iπ-helixtrans-98.8-54.5-172.8-1780000111.5Y400 G407 L440Y400-V404 HydrophobicContact CD2-CG2 4.1Å; Y400-V404 HydrophobicContact CE1-CB 4.2Å; Y400-V404 HydrophobicContact CE1-CG2 4.24Å; Y400-V404 HydrophobicContact CE2-CG2 3.81Å; Y400-V404 HydrophobicContact CG-CG2 4.46Å; Y400-V404 WeakPolarHBondContact O-CB 3.27Å; Y400-V404 PolarHBondContact O-N 2.97Å; V404-G407 PolarHBondContact O-N 3.22Å; V404-L440 HydrophobicContact CG2-CD2 3.74Å
405N93.2Very high95.3Very high110 Ų11048.1 Ų48.159%0.58826%0.258SS*.Iπ-helixtrans-74.5-39.9-172.8-55.6-4000112K401 G407K401-N405 WeakPolarHBondContact O-CA 3.43Å; K401-N405 WeakPolarHBondContact O-CB 3.34Å; K401-N405 PolarHBondContact O-N 3.42Å; N405-G407 PolarHBondContact O-N 3.37Å
406D93.2Very high95.3Very high94 Ų9448.7 Ų48.750%0.50326%0.262SS..SBendtrans-80.9-2.2175.2-57.34.9000111.6K401 K402 I408K401-D406 PolarHBondContact O-N 3.49Å; K401-D406 VanDerWaalsContact O-N 3.08Å; K402-D406 WeakPolarHBondContact CD-OD2 3.44Å; K402-D406 WeakPolarHBondContact CE-OD2 3.38Å; K402-D406 IonicContact NZ-OD2 3.76Å; K402-D406 PolarHBondContact NZ-OD2 3.2Å; K402-D406 WeakPolarHBondContact O-CB 3.41Å; D406-I408 PolarHBondContact O-N 3.3Å
407G94.1Very high95.1Very high20 Ų2053.5 Ų53.521%0.20629%0.293CS..  trans78.913.9169.400000116.3V404 N405 L409 N410 Q411V404-G407 PolarHBondContact O-N 3.22Å; N405-G407 PolarHBondContact O-N 3.37Å; G407-L409 PolarHBondContact O-N 3.25Å; G407-N410 WeakPolarHBondContact O-CB 3.46Å; G407-N410 PolarHBondContact O-N 3.5Å; G407-N410 VanDerWaalsContact O-N 3.16Å; G407-Q411 PolarHBondContact O-N 2.81Å
408I95.4Very high95Very high9 Ų961.1 Ų61.15%0.04632%0.323CS..Hα-helixtrans-60-42.8-177.7-60.6170.1000111.7I329 Y330 F342 V344 K402 L403 D406 Q411 A412I329-I408 HydrophobicContact CG2-CG2 4.17Å; Y330-I408 HydrophobicContact CD1-CD1 3.83Å; Y330-I408 HydrophobicContact CD2-CD1 3.69Å; Y330-I408 HydrophobicContact CD2-CG1 4.31Å; Y330-I408 HydrophobicContact CE1-CD1 4Å; Y330-I408 HydrophobicContact CE2-CD1 3.88Å; Y330-I408 HydrophobicContact CG-CD1 3.66Å; Y330-I408 HydrophobicContact CG-CG1 4.4Å; Y330-I408 HydrophobicContact CG-CG2 4.26Å; F342-I408 HydrophobicContact CZ-CD1 4.49Å; V344-I408 HydrophobicContact CB-CG2 4.21Å; V344-I408 HydrophobicContact CG1-CG2 4.48Å; V344-I408 HydrophobicContact CG2-CG2 3.79Å; K402-I408 HydrophobicContact CB-CD1 4.01Å; K402-I408 VanDerWaalsContact O-CD1 3.25Å; K402-I408 WeakPolarHBondContact O-CD1 3.21Å; K402-I408 WeakPolarHBondContact O-CG1 3.24Å; L403-I408 HydrophobicContact CD2-CB 4.34Å; L403-I408 HydrophobicContact CD2-CG2 4.18Å; L403-I408 PolarHBondContact O-N 2.86Å; D406-I408 PolarHBondContact O-N 3.3Å; I408-Q411 WeakPolarHBondContact O-CB 3.16Å; I408-Q411 PolarHBondContact O-N 2.92Å; I408-A412 PolarHBondContact O-N 2.97Å; I408-A412 VanDerWaalsContact O-N 3.08Å
409L96Very high95Very high2 Ų261.6 Ų61.61%0.0133%0.325CS..Hα-helixtrans-68.8-38176.8-71.4179.7000111.8V353 V355 L403 G407 Q411 A412 F413 L421 L440 F444V353-L409 HydrophobicContact CG1-CD2 4.29Å; V355-L409 HydrophobicContact CG2-CD2 4.28Å; L403-L409 HydrophobicContact CB-CD1 3.91Å; L403-L409 HydrophobicContact CB-CG 3.9Å; L403-L409 HydrophobicContact CD1-CD1 4.39Å; L403-L409 HydrophobicContact CD2-CD2 4.21Å; L403-L409 HydrophobicContact CD2-CG 4.13Å; L403-L409 HydrophobicContact CG-CG 4.42Å; L403-L409 PolarHBondContact O-N 3.44Å; G407-L409 PolarHBondContact O-N 3.25Å; L409-Q411 VanDerWaalsContact C-N 3.27Å; L409-Q411 PolarHBondContact O-N 3.15Å; L409-A412 PolarHBondContact O-N 2.74Å; L409-A412 VanDerWaalsContact O-N 3.17Å; L409-F413 HydrophobicContact CB-CD2 4.3Å; L409-F413 HydrophobicContact CB-CE2 4.36Å; L409-F413 HydrophobicContact CD2-CE2 4.29Å; L409-F413 WeakPolarHBondContact O-CD2 3.2Å; L409-F413 PolarHBondContact O-N 2.83Å; L409-L421 HydrophobicContact CD1-CD2 4.15Å; L409-L421 HydrophobicContact CD2-CD1 3.87Å; L409-L440 HydrophobicContact CD1-CD1 4.5Å; L409-L440 HydrophobicContact CD1-CD2 4.17Å; L409-F444 HydrophobicContact CD1-CE2 3.96Å; L409-F444 HydrophobicContact CD1-CZ 4.19Å
410N94.9Very high95Very high111 Ų11168.1 Ų68.159%0.59435%0.353SS*.Hα-helixtrans-61.3-40.1176.3-69.1-19.5000111G407 S414G407-N410 WeakPolarHBondContact O-CB 3.46Å; G407-N410 PolarHBondContact O-N 3.5Å; G407-N410 VanDerWaalsContact O-N 3.16Å; N410-S414 WeakPolarHBondContact O-CB 3.47Å; N410-S414 PolarHBondContact O-N 3.17Å
411Q93.9Very high95Very high100 Ų10065.1 Ų65.147%0.46734%0.342SS..Hα-helixtrans-61.3-47.3173.4-176.6-178.1-1.800111.3I329 G407 I408 L409 S414I329-Q411 HydrophobicContact CG2-CB 4.42Å; I329-Q411 HydrophobicContact CG2-CG 4.17Å; G407-Q411 PolarHBondContact O-N 2.81Å; I408-Q411 WeakPolarHBondContact O-CB 3.16Å; I408-Q411 PolarHBondContact O-N 2.92Å; L409-Q411 VanDerWaalsContact C-N 3.27Å; L409-Q411 PolarHBondContact O-N 3.15Å; Q411-S414 PolarHBondContact O-N 3.38Å; Q411-S414 PolarHBondContact O-OG 2.88Å
412A94.6Very high95.1Very high0 Ų059.3 Ų59.30%032%0.317CS..Hα-helixtrans-60.5-50.7178.700000112.4I329 L346 V353 I408 L409 S414 V415 V416I329-A412 HydrophobicContact CG1-CB 4.05Å; I329-A412 HydrophobicContact CG2-CB 4.44Å; L346-A412 HydrophobicContact CD2-CB 4.26Å; V353-A412 HydrophobicContact CG1-CB 3.84Å; V353-A412 HydrophobicContact CG2-CB 4.3Å; I408-A412 PolarHBondContact O-N 2.97Å; I408-A412 VanDerWaalsContact O-N 3.08Å; L409-A412 PolarHBondContact O-N 2.74Å; L409-A412 VanDerWaalsContact O-N 3.17Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 3.5Å; A412-V415 PolarHBondContact O-N 3.27Å; A412-V415 VanDerWaalsContact O-N 3.13Å; A412-V416 VanDerWaalsContact O-CG2 3.28Å; A412-V416 WeakPolarHBondContact O-CG2 3.3Å; A412-V416 PolarHBondContact O-N 3.28Å; A412-V416 VanDerWaalsContact O-N 3.16Å
413F96.3Very high95.3Very high35 Ų3556.7 Ų56.715%0.15431%0.305CS..Hα-helixtrans-72.2-17.9-179.1-72.1-65.5000114V353 L409 V415 V416 P417 Y419 L421 F444V353-F413 HydrophobicContact CB-CE1 4.2Å; V353-F413 HydrophobicContact CB-CZ 3.94Å; V353-F413 HydrophobicContact CG1-CZ 4.42Å; V353-F413 HydrophobicContact CG2-CD1 4.08Å; V353-F413 HydrophobicContact CG2-CE1 3.59Å; V353-F413 HydrophobicContact CG2-CE2 4.49Å; V353-F413 HydrophobicContact CG2-CZ 3.82Å; L409-F413 HydrophobicContact CB-CD2 4.3Å; L409-F413 HydrophobicContact CB-CE2 4.36Å; L409-F413 HydrophobicContact CD2-CE2 4.29Å; L409-F413 WeakPolarHBondContact O-CD2 3.2Å; L409-F413 PolarHBondContact O-N 2.83Å; F413-V415 PolarHBondContact O-N 3.2Å; F413-V416 CarbonylContact O-C 3.52Å; F413-P417 VanDerWaalsContact O-CA 3.29Å; F413-P417 WeakPolarHBondContact O-CA 3.42Å; F413-Y419 WeakPolarHBondContact CE1-O 3.43Å; F413-L421 HydrophobicContact CE2-CD1 4.38Å; F413-L421 HydrophobicContact CZ-CB 4.03Å; F413-L421 HydrophobicContact CZ-CD1 4.21Å; F413-F444 AromaticContact CD2-CE1 3.91Å; F413-F444 HydrophobicContact CD2-CE1 3.91Å; F413-F444 HydrophobicContact CD2-CZ 4.16Å; F413-F444 HydrophobicContact CE2-CD1 4.28Å; F413-F444 AromaticContact CE2-CE1 3.38Å; F413-F444 HydrophobicContact CE2-CE1 3.38Å; F413-F444 AromaticContact CE2-CZ 3.77Å; F413-F444 HydrophobicContact CE2-CZ 3.77Å; F413-F444 HydrophobicContact CZ-CD1 4.4Å; F413-F444 AromaticContact CZ-CE1 3.87Å; F413-F444 HydrophobicContact CZ-CE1 3.87Å
414S95.3Very high95.4Very high91 Ų9156.7 Ų56.764%0.63631%0.305SS*.Hα-helixtrans-66.2-29.1170.176.40000112.5N410 Q411 A412N410-S414 WeakPolarHBondContact O-CB 3.47Å; N410-S414 PolarHBondContact O-N 3.17Å; Q411-S414 PolarHBondContact O-N 3.38Å; Q411-S414 PolarHBondContact O-OG 2.88Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 3.5Å
415V92.4Very high95.5Very high92 Ų9254.5 Ų54.556%0.55829%0.292SS*.Hα-helixtrans-87-38.6177.9-1760000110.9L346 A412 F413L346-V415 HydrophobicContact CD1-CG1 4.41Å; A412-V415 PolarHBondContact O-N 3.27Å; A412-V415 VanDerWaalsContact O-N 3.13Å; F413-V415 PolarHBondContact O-N 3.2Å
416V94.9Very high95.7Very high13 Ų1349.3 Ų49.38%0.07926%0.264CS..  trans-133.174.1-174.8-71.90000112.1L346 V353 A412 F413 E418 Y419L346-V416 HydrophobicContact CD1-CG1 4.35Å; L346-V416 HydrophobicContact CD1-CG2 4.21Å; L346-V416 HydrophobicContact CD2-CG2 3.74Å; V353-V416 HydrophobicContact CG2-CG2 3.82Å; A412-V416 VanDerWaalsContact O-CG2 3.28Å; A412-V416 WeakPolarHBondContact O-CG2 3.3Å; A412-V416 PolarHBondContact O-N 3.28Å; A412-V416 VanDerWaalsContact O-N 3.16Å; F413-V416 CarbonylContact O-C 3.52Å; V416-E418 VanDerWaalsContact C-N 3.26Å; V416-E418 PolarHBondContact O-N 3.35Å; V416-Y419 HydrophobicContact CB-CD1 3.87Å; V416-Y419 HydrophobicContact CB-CD2 3.71Å; V416-Y419 HydrophobicContact CB-CE1 4.19Å; V416-Y419 HydrophobicContact CB-CE2 4.04Å; V416-Y419 HydrophobicContact CB-CG 3.62Å; V416-Y419 HydrophobicContact CG1-CD1 4.32Å; V416-Y419 HydrophobicContact CG1-CD2 3.99Å; V416-Y419 HydrophobicContact CG1-CE1 4.14Å; V416-Y419 HydrophobicContact CG1-CE2 3.77Å; V416-Y419 HydrophobicContact CG1-CG 4.26Å; V416-Y419 HydrophobicContact CG2-CD2 3.67Å; V416-Y419 HydrophobicContact CG2-CE2 4.26Å; V416-Y419 HydrophobicContact CG2-CG 3.87Å; V416-Y419 PolarHBondContact O-N 2.82Å
417P93.2Very high95.7Very high100 Ų10045.4 Ų45.465%0.64924%0.244SC*.THydrogen-bonded Turntrans-68-22.1-172.426.1-35.1000114.5F413F413-P417 VanDerWaalsContact O-CA 3.29Å; F413-P417 WeakPolarHBondContact O-CA 3.42Å
418E93.3Very high95.6Very high180 Ų18044.5 Ų44.584%0.84124%0.235SC*.THydrogen-bonded Turntrans-88.1-8.7-178.2-60.3-173167.900113.4V416V416-E418 VanDerWaalsContact C-N 3.26Å; V416-E418 PolarHBondContact O-N 3.35Å
419Y96.8Very high95.6Very high44 Ų4444 Ų4417%0.17323%0.233CC..PPolyproline II helixtrans-74.5153.5-173.9-7922.4000111.6H348 E351 F413 V416H348-Y419 WeakPolarHBondContact CA-OH 3.38Å; H348-Y419 AromaticContact ND1-CE2 3.49Å; H348-Y419 WeakPolarHBondContact ND1-CE2 3.19Å; H348-Y419 AromaticContact ND1-CZ 3.52Å; H348-Y419 PolarHBondContact ND1-OH 3.31Å; E351-Y419 VanDerWaalsContact C-CD2 3.45Å; E351-Y419 VanDerWaalsContact C-CG 3.44Å; E351-Y419 HydrophobicContact CB-CD1 3.87Å; E351-Y419 HydrophobicContact CB-CE1 3.81Å; E351-Y419 HydrophobicContact CB-CG 4.33Å; E351-Y419 HydrophobicContact CG-CD1 4.5Å; E351-Y419 HydrophobicContact CG-CE1 3.96Å; E351-Y419 VanDerWaalsContact O-CA 3.28Å; E351-Y419 WeakPolarHBondContact O-CA 2.9Å; E351-Y419 WeakPolarHBondContact O-CB 3.22Å; F413-Y419 WeakPolarHBondContact CE1-O 3.43Å; V416-Y419 HydrophobicContact CB-CD1 3.87Å; V416-Y419 HydrophobicContact CB-CD2 3.71Å; V416-Y419 HydrophobicContact CB-CE1 4.19Å; V416-Y419 HydrophobicContact CB-CE2 4.04Å; V416-Y419 HydrophobicContact CB-CG 3.62Å; V416-Y419 HydrophobicContact CG1-CD1 4.32Å; V416-Y419 HydrophobicContact CG1-CD2 3.99Å; V416-Y419 HydrophobicContact CG1-CE1 4.14Å; V416-Y419 HydrophobicContact CG1-CE2 3.77Å; V416-Y419 HydrophobicContact CG1-CG 4.26Å; V416-Y419 HydrophobicContact CG2-CD2 3.67Å; V416-Y419 HydrophobicContact CG2-CE2 4.26Å; V416-Y419 HydrophobicContact CG2-CG 3.87Å; V416-Y419 PolarHBondContact O-N 2.82Å
420K96.8Very high95.7Very high136 Ų13644 Ų4459%0.59123%0.232SC*.EExtended strand (participates in β ladder)trans-89.9150.9175.7-61.1173-172.3166.40110.7E351 V352 V353E351-K420 PolarHBondContact O-N 3.34Å; V352-K420 CarbonylContact C-O 3.5Å; V352-K420 VanDerWaalsContact CA-O 3.26Å; V352-K420 WeakPolarHBondContact CA-O 3.21Å; V352-K420 HydrophobicContact CG1-CB 4.32Å; V353-K420 PolarHBondContact N-O 3.43Å
421L98.3Very high95.8Very high2 Ų238.7 Ų38.71%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-89.5124.5173.9-170.656.7000110.5V353 V355 L409 F413 L440 F444 L447 K448V353-L421 HydrophobicContact CB-CD1 4.2Å; V353-L421 HydrophobicContact CG1-CD1 4.08Å; V353-L421 WeakPolarHBondContact O-CD1 3.09Å; V355-L421 HydrophobicContact CG2-CD1 4.1Å; L409-L421 HydrophobicContact CD1-CD2 4.15Å; L409-L421 HydrophobicContact CD2-CD1 3.87Å; F413-L421 HydrophobicContact CE2-CD1 4.38Å; F413-L421 HydrophobicContact CZ-CB 4.03Å; F413-L421 HydrophobicContact CZ-CD1 4.21Å; L421-L440 HydrophobicContact CD2-CD1 4.25Å; L421-F444 HydrophobicContact CB-CD1 4.35Å; L421-F444 HydrophobicContact CD2-CB 4.13Å; L421-F444 HydrophobicContact CD2-CD1 3.96Å; L421-F444 HydrophobicContact CD2-CD2 3.7Å; L421-F444 HydrophobicContact CD2-CE1 4.29Å; L421-F444 HydrophobicContact CD2-CE2 4.05Å; L421-F444 HydrophobicContact CD2-CG 3.65Å; L421-F444 HydrophobicContact CD2-CZ 4.33Å; L421-L447 HydrophobicContact CB-CB 4.43Å; L421-L447 HydrophobicContact CB-CD1 4.4Å; L421-L447 HydrophobicContact CD2-CD1 3.66Å; L421-L447 HydrophobicContact CG-CD1 3.87Å; L421-L447 WeakPolarHBondContact O-CA 3.4Å; L421-K448 PolarHBondContact O-N 3.01Å
422V98.5Very high95.9Very high5 Ų533.9 Ų33.93%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-122.6133.5171.9179.20000109.9Y265 V352 V353 L354 V355 K448 Y450Y265-V422 HydrophobicContact CD1-CG1 3.99Å; Y265-V422 HydrophobicContact CD2-CG1 4.32Å; Y265-V422 HydrophobicContact CE1-CB 4.26Å; Y265-V422 HydrophobicContact CE1-CG1 3.84Å; Y265-V422 HydrophobicContact CE1-CG2 4.34Å; Y265-V422 HydrophobicContact CE2-CG1 4.2Å; Y265-V422 HydrophobicContact CG-CG1 4.24Å; V352-V422 HydrophobicContact CB-CG2 4.23Å; V352-V422 HydrophobicContact CG1-CG2 3.91Å; V353-V422 PolarHBondContact O-N 3.4Å; L354-V422 CarbonylContact C-O 3.53Å; L354-V422 WeakPolarHBondContact CA-O 3.42Å; L354-V422 HydrophobicContact CD1-CB 3.75Å; L354-V422 HydrophobicContact CD1-CG1 3.64Å; V355-V422 PolarHBondContact N-O 3.21Å; V422-K448 WeakPolarHBondContact CA-O 3.33Å; V422-Y450 HydrophobicContact CG1-CD2 3.97Å; V422-Y450 HydrophobicContact CG1-CE2 4.45Å
423V98.6Very high96.1Very high0 Ų033.9 Ų33.90%018%0.182CC..EExtended strand (participates in β ladder)trans-111.8137.8173.6-1690000108.8V355 A433 L436 L447 K448 C449 Y450V355-V423 HydrophobicContact CB-CG1 4.31Å; V355-V423 HydrophobicContact CB-CG2 4.38Å; V355-V423 HydrophobicContact CG1-CG1 4.46Å; V355-V423 CarbonylContact O-C 3.6Å; V355-V423 WeakPolarHBondContact O-CA 3.06Å; V423-A433 HydrophobicContact CG1-CB 3.71Å; V423-L436 HydrophobicContact CG1-CD2 3.98Å; V423-L447 HydrophobicContact CG2-CD1 3.74Å; V423-K448 PolarHBondContact N-O 2.9Å; V423-C449 CarbonylContact O-C 3.38Å; V423-C449 WeakPolarHBondContact O-CA 3.3Å; V423-Y450 PolarHBondContact O-N 3.03Å
424T98.6Very high96.2Very high0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-144.7154.9178.6-168.60000112.4F268 A269 L354 V355 A356 V357 Y450 F452F268-T424 HydrophobicContact CB-CG2 4.2Å; A269-T424 HydrophobicContact CB-CG2 4.4Å; L354-T424 HydrophobicContact CD1-CG2 4.06Å; L354-T424 HydrophobicContact CD2-CG2 4.38Å; L354-T424 HydrophobicContact CG-CG2 4.37Å; V355-T424 PolarHBondContact O-N 2.8Å; A356-T424 WeakPolarHBondContact CA-O 3.48Å; A356-T424 HydrophobicContact CB-CG2 4.01Å; V357-T424 PolarHBondContact N-O 3.01Å; T424-Y450 VanDerWaalsContact CA-O 3.31Å; T424-Y450 WeakPolarHBondContact CA-O 3.36Å; T424-Y450 PolarHBondContact OG1-O 3.05Å; T424-F452 VanDerWaalsContact OG1-CE2 3.26Å; T424-F452 WeakPolarHBondContact OG1-CE2 3.07Å
425G97.8Very high96.3Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-172.6168.7175.200000111.4V357 A430 Y450 F452V357-G425 WeakPolarHBondContact O-CA 3.39Å; G425-A430 VanDerWaalsContact O-CB 3.28Å; G425-A430 WeakPolarHBondContact O-CB 3.31Å; G425-Y450 PolarHBondContact N-O 3.18Å; G425-F452 WeakPolarHBondContact O-CD2 3.02Å; G425-F452 PolarHBondContact O-N 3.01Å
426H96.4Very high96.6Very high1 Ų123.5 Ų23.51%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-124.1142.5178.6170.9-91.7000111.1M266 A269 Y273 G359 L428 G429 A430 F452 H623M266-H426 HydrophobicContact CE-CB 4.37Å; A269-H426 HydrophobicContact CB-CB 4.3Å; Y273-H426 HydrophobicContact CE2-CB 4.15Å; Y273-H426 AromaticContact CE2-ND1 3.99Å; Y273-H426 AromaticContact CZ-ND1 3.74Å; Y273-H426 PolarHBondContact OH-ND1 3.3Å; G359-H426 WeakPolarHBondContact CA-O 2.9Å; H426-L428 PolarHBondContact O-N 3.17Å; H426-G429 WeakPolarHBondContact O-CA 3.43Å; H426-G429 PolarHBondContact O-N 3.11Å; H426-A430 PolarHBondContact O-N 3.28Å; H426-F452 CarbonylContact C-O 3.59Å; H426-F452 VanDerWaalsContact CA-O 3.26Å; H426-F452 WeakPolarHBondContact CA-O 3.41Å; H426-F452 HydrophobicContact CB-CB 4.23Å; H426-F452 PolarHBondContact CD2-O 3.21Å; H426-H623 AromaticContact CE1-CE1 3.75Å; H426-H623 AromaticContact CE1-NE2 3.63Å; H426-H623 PolarHBondContact CE1-O 3.36Å; H426-H623 AromaticContact NE2-CE1 3.81Å; H426-H623 PolarHBondContact NE2-O 2.91Å
427S93.9Very high96.7Very high12 Ų1222.9 Ų22.98%0.08411%0.114CC..THydrogen-bonded Turntrans56.4-124.1178.3-166.50000111.8G429 A430 G431 F452 S453 H623S427-G429 PolarHBondContact O-N 3.44Å; S427-A430 WeakPolarHBondContact O-CA 3.47Å; S427-A430 VanDerWaalsContact O-CB 3.28Å; S427-A430 WeakPolarHBondContact O-CB 3.35Å; S427-A430 PolarHBondContact O-N 3.17Å; S427-G431 PolarHBondContact O-N 3.19Å; S427-G431 VanDerWaalsContact O-N 3.14Å; S427-F452 PolarHBondContact N-O 2.97Å; S427-S453 WeakPolarHBondContact CA-O 3.5Å; S427-H623 VanDerWaalsContact CB-NE2 3.33Å; S427-H623 WeakPolarHBondContact CB-NE2 3.31Å; S427-H623 PolarHBondContact OG-CE1 2.86Å; S427-H623 PolarHBondContact OG-NE2 3.49Å
428L92.4Very high96.9Very high1 Ų118.4 Ų18.41%0.0058%0.084CC..Hα-helixtrans-46.5-45.416917158.5000112.4I340 T360 D365 T368 D369 M392 H426 A430 G431 T432I340-L428 HydrophobicContact CD1-CD1 3.9Å; I340-L428 HydrophobicContact CD1-CD2 3.7Å; I340-L428 HydrophobicContact CD1-CG 3.72Å; T360-L428 WeakPolarHBondContact OG1-CB 3.43Å; D365-L428 HydrophobicContact CB-CD2 3.77Å; T368-L428 HydrophobicContact CG2-CD1 4.08Å; D369-L428 WeakPolarHBondContact OD1-CB 3.31Å; D369-L428 VanDerWaalsContact OD1-CD1 3.3Å; D369-L428 WeakPolarHBondContact OD1-CD1 3.43Å; M392-L428 HydrophobicContact CE-CD1 3.63Å; M392-L428 HydrophobicContact CG-CD1 3.65Å; M392-L428 HydrophobicContact SD-CD1 3.95Å; H426-L428 PolarHBondContact O-N 3.17Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 2.99Å; L428-G431 PolarHBondContact O-N 3.35Å; L428-T432 PolarHBondContact O-N 3.08Å; L428-T432 PolarHBondContact O-OG1 2.95Å
429G95.8Very high97.1Very high0 Ų011.8 Ų11.80%05%0.054CC..Hα-helixtrans-65.1-29.8179.500000112.7R358 H426 S427 A433R358-G429 WeakPolarHBondContact O-CA 3.46Å; H426-G429 WeakPolarHBondContact O-CA 3.43Å; H426-G429 PolarHBondContact O-N 3.11Å; S427-G429 PolarHBondContact O-N 3.44Å; G429-A433 WeakPolarHBondContact O-CB 3.36Å; G429-A433 PolarHBondContact O-N 3.44Å
430A97.4Very high97.1Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-71-40.8174.700000111.7G425 H426 S427 L428 A433 A434 S451 F452 P454G425-A430 VanDerWaalsContact O-CB 3.28Å; G425-A430 WeakPolarHBondContact O-CB 3.31Å; H426-A430 PolarHBondContact O-N 3.28Å; S427-A430 WeakPolarHBondContact O-CA 3.47Å; S427-A430 VanDerWaalsContact O-CB 3.28Å; S427-A430 WeakPolarHBondContact O-CB 3.35Å; S427-A430 PolarHBondContact O-N 3.17Å; L428-A430 VanDerWaalsContact C-N 3.26Å; L428-A430 PolarHBondContact O-N 2.99Å; A430-A433 PolarHBondContact O-N 3.41Å; A430-A434 WeakPolarHBondContact O-CB 3.44Å; A430-A434 PolarHBondContact O-N 3.31Å; A430-S451 PolarHBondContact O-OG 3.04Å; A430-F452 VanDerWaalsContact CB-O 3.25Å; A430-F452 WeakPolarHBondContact CB-O 2.96Å; A430-P454 HydrophobicContact CB-CB 3.95Å
431G96.1Very high97Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-64-45.9174.300000112S427 L428 A434 L435S427-G431 PolarHBondContact O-N 3.19Å; S427-G431 VanDerWaalsContact O-N 3.14Å; L428-G431 PolarHBondContact O-N 3.35Å; G431-A434 PolarHBondContact O-N 3.27Å; G431-L435 PolarHBondContact O-N 3.08Å; G431-L435 VanDerWaalsContact O-N 3.12Å
432T97.5Very high96.7Very high0 Ų010.6 Ų10.60%06%0.058CC..Hα-helixtrans-63.2-42174.4-61.40000112.2V357 A395 A396 I399 L428 L435 L436V357-T432 HydrophobicContact CG1-CG2 3.94Å; A395-T432 HydrophobicContact CB-CG2 4.03Å; A396-T432 HydrophobicContact CB-CG2 4.1Å; I399-T432 HydrophobicContact CD1-CG2 3.83Å; L428-T432 PolarHBondContact O-N 3.08Å; L428-T432 PolarHBondContact O-OG1 2.95Å; T432-L435 PolarHBondContact O-N 3.48Å; T432-L436 VanDerWaalsContact O-CB 3.23Å; T432-L436 WeakPolarHBondContact O-CB 3.5Å; T432-L436 PolarHBondContact O-N 2.87Å
433A98.3Very high96.4Very high0 Ų014 Ų140%08%0.081CC..Hα-helixtrans-60.5-44.4176.300000112.1V357 V423 G429 A430 L436 A437V357-A433 HydrophobicContact CG2-CB 4.43Å; V423-A433 HydrophobicContact CG1-CB 3.71Å; G429-A433 WeakPolarHBondContact O-CB 3.36Å; G429-A433 PolarHBondContact O-N 3.44Å; A430-A433 PolarHBondContact O-N 3.41Å; A433-L436 PolarHBondContact O-N 3.5Å; A433-A437 VanDerWaalsContact O-CB 3.29Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 3.09Å
434A98.1Very high96.2Very high0 Ų016.1 Ų16.10%09%0.091CC..Hα-helixtrans-63.7-41.8177.400000112.5A430 G431 A437 I438 L458 V471 P578A430-A434 WeakPolarHBondContact O-CB 3.44Å; A430-A434 PolarHBondContact O-N 3.31Å; G431-A434 PolarHBondContact O-N 3.27Å; A434-A437 WeakPolarHBondContact O-CB 3.41Å; A434-A437 PolarHBondContact O-N 3.13Å; A434-I438 WeakPolarHBondContact O-CG1 3.28Å; A434-I438 PolarHBondContact O-N 2.98Å; A434-L458 HydrophobicContact CB-CD2 4.05Å; A434-V471 HydrophobicContact CB-CG1 4.29Å; A434-P578 HydrophobicContact CB-CB 3.7Å; A434-P578 HydrophobicContact CB-CG 3.64Å
435L98Very high96Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-68.6-39.4176.1-74167.1000112.1L377 A388 M392 A396 G431 T432 A437 I438 L439 L458 L459L377-L435 HydrophobicContact CD2-CD2 3.81Å; A388-L435 HydrophobicContact CB-CD1 4.42Å; A388-L435 HydrophobicContact CB-CD2 3.54Å; M392-L435 HydrophobicContact CB-CD1 3.78Å; A396-L435 HydrophobicContact CB-CB 3.71Å; G431-L435 PolarHBondContact O-N 3.08Å; G431-L435 VanDerWaalsContact O-N 3.12Å; T432-L435 PolarHBondContact O-N 3.48Å; L435-A437 VanDerWaalsContact C-N 3.31Å; L435-A437 PolarHBondContact O-N 2.83Å; L435-I438 HydrophobicContact CD2-CD1 4.34Å; L435-I438 WeakPolarHBondContact O-CB 3.25Å; L435-I438 PolarHBondContact O-N 3.23Å; L435-L439 WeakPolarHBondContact O-CG 3.48Å; L435-L439 PolarHBondContact O-N 2.84Å; L435-L458 HydrophobicContact CD1-CD1 3.74Å; L435-L458 HydrophobicContact CD1-CG 4.4Å; L435-L458 HydrophobicContact CG-CD1 4.32Å; L435-L459 HydrophobicContact CD2-CD2 3.53Å; L435-L459 HydrophobicContact CG-CD2 4.39Å
436L98.1Very high95.9Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-62.8-40.2173.9178.961.8000111.4V355 A396 I399 Y400 L403 V423 T432 A433 L439 L440V355-L436 HydrophobicContact CG1-CD2 4.24Å; A396-L436 HydrophobicContact CB-CB 4.19Å; I399-L436 HydrophobicContact CB-CD1 4.48Å; I399-L436 HydrophobicContact CB-CD2 4.18Å; I399-L436 HydrophobicContact CG2-CD1 4.34Å; I399-L436 HydrophobicContact CG2-CD2 3.53Å; Y400-L436 HydrophobicContact CD2-CD1 4.43Å; L403-L436 HydrophobicContact CD1-CD1 4.3Å; L403-L436 HydrophobicContact CD1-CD2 3.9Å; V423-L436 HydrophobicContact CG1-CD2 3.98Å; T432-L436 VanDerWaalsContact O-CB 3.23Å; T432-L436 WeakPolarHBondContact O-CB 3.5Å; T432-L436 PolarHBondContact O-N 2.87Å; A433-L436 PolarHBondContact O-N 3.5Å; L436-L439 PolarHBondContact O-N 3.26Å; L436-L440 HydrophobicContact CD1-CD1 3.84Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CD2-CD1 4.49Å; L436-L440 HydrophobicContact CG-CD1 3.8Å; L436-L440 HydrophobicContact CG-CG 4.47Å; L436-L440 WeakPolarHBondContact O-CB 3.46Å; L436-L440 WeakPolarHBondContact O-CG 3.33Å; L436-L440 PolarHBondContact O-N 3.49Å
437A98.1Very high95.9Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-60.8-42.2174.100000112A433 A434 L435 L440 R441 L447 C449 F470A433-A437 VanDerWaalsContact O-CB 3.29Å; A433-A437 WeakPolarHBondContact O-CB 3.27Å; A433-A437 PolarHBondContact O-N 3.09Å; A434-A437 WeakPolarHBondContact O-CB 3.41Å; A434-A437 PolarHBondContact O-N 3.13Å; L435-A437 VanDerWaalsContact C-N 3.31Å; L435-A437 PolarHBondContact O-N 2.83Å; A437-L440 PolarHBondContact O-N 2.94Å; A437-R441 WeakPolarHBondContact O-CB 3.23Å; A437-R441 PolarHBondContact O-N 3.25Å; A437-L447 HydrophobicContact CB-CD2 3.59Å; A437-C449 HydrophobicContact CB-CB 3.7Å; A437-F470 HydrophobicContact CB-CD2 4.12Å; A437-F470 HydrophobicContact CB-CE2 3.85Å
438I97.2Very high96.1Very high5 Ų528 Ų283%0.02616%0.158CC..Hα-helixtrans-59.9-46.1173.3-69.1161.6000110.6L377 V379 A434 L435 L440 R441 L459 Y466 F470L377-I438 HydrophobicContact CD2-CG2 4.07Å; V379-I438 HydrophobicContact CG2-CG2 3.72Å; A434-I438 WeakPolarHBondContact O-CG1 3.28Å; A434-I438 PolarHBondContact O-N 2.98Å; L435-I438 HydrophobicContact CD2-CD1 4.34Å; L435-I438 WeakPolarHBondContact O-CB 3.25Å; L435-I438 PolarHBondContact O-N 3.23Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 3.13Å; I438-R441 WeakPolarHBondContact O-CB 3.4Å; I438-R441 PolarHBondContact O-N 3.16Å; I438-L459 HydrophobicContact CD1-CD1 3.89Å; I438-L459 HydrophobicContact CD1-CD2 3.97Å; I438-Y466 HydrophobicContact CG2-CE1 4.4Å; I438-F470 HydrophobicContact CG1-CE2 4.11Å; I438-F470 HydrophobicContact CG1-CZ 3.76Å
439L96.4Very high96.4Very high42 Ų4228 Ų2822%0.2216%0.158CC..Hα-helixtrans-64.2-35.5179.5-70.6174.8000113.4L377 Y393 A396 Y400 L435 L436L377-L439 HydrophobicContact CD1-CD2 4.02Å; Y393-L439 HydrophobicContact CE2-CD1 4.23Å; Y393-L439 HydrophobicContact CE2-CD2 4.15Å; A396-L439 HydrophobicContact CB-CD1 4.21Å; Y400-L439 HydrophobicContact CD2-CB 3.78Å; Y400-L439 HydrophobicContact CE2-CB 4.18Å; L435-L439 WeakPolarHBondContact O-CG 3.48Å; L435-L439 PolarHBondContact O-N 2.84Å; L436-L439 PolarHBondContact O-N 3.26Å
440L96.8Very high96.5Very high0 Ų028.2 Ų28.20%016%0.159CC..Hα-helixtrans-86.1-12.3-179.2-69.4170.4000113.3Y400 L403 V404 L409 L421 L436 A437 I438 T442 S443 F444 L447Y400-L440 HydrophobicContact CD2-CD2 3.74Å; Y400-L440 HydrophobicContact CD2-CG 4.12Å; Y400-L440 HydrophobicContact CE2-CD2 3.72Å; Y400-L440 HydrophobicContact CE2-CG 4.36Å; L403-L440 HydrophobicContact CD1-CD1 4.31Å; V404-L440 HydrophobicContact CG2-CD2 3.74Å; L409-L440 HydrophobicContact CD1-CD1 4.5Å; L409-L440 HydrophobicContact CD1-CD2 4.17Å; L421-L440 HydrophobicContact CD2-CD1 4.25Å; L436-L440 HydrophobicContact CD1-CD1 3.84Å; L436-L440 HydrophobicContact CD1-CG 4.15Å; L436-L440 HydrophobicContact CD2-CD1 4.49Å; L436-L440 HydrophobicContact CG-CD1 3.8Å; L436-L440 HydrophobicContact CG-CG 4.47Å; L436-L440 WeakPolarHBondContact O-CB 3.46Å; L436-L440 WeakPolarHBondContact O-CG 3.33Å; L436-L440 PolarHBondContact O-N 3.49Å; A437-L440 PolarHBondContact O-N 2.94Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 3.13Å; L440-T442 VanDerWaalsContact C-N 3.3Å; L440-T442 PolarHBondContact O-N 3.24Å; L440-S443 PolarHBondContact O-N 3.44Å; L440-S443 VanDerWaalsContact O-N 3.11Å; L440-F444 HydrophobicContact CB-CD2 4.34Å; L440-F444 HydrophobicContact CD2-CD2 4.37Å; L440-F444 HydrophobicContact CD2-CE2 4.37Å; L440-F444 PolarHBondContact O-N 3.03Å; L440-L447 HydrophobicContact CB-CD1 3.95Å; L440-L447 HydrophobicContact CD1-CD1 4.28Å
441R94.3Very high96.6Very high52 Ų5228.2 Ų28.220%0.19616%0.159CC..THydrogen-bonded Turntrans-58.4-39.1-169.6-172.760.5-179.8156.913.1113.3A437 I438 F444 P445 L447 Y466 F470A437-R441 WeakPolarHBondContact O-CB 3.23Å; A437-R441 PolarHBondContact O-N 3.25Å; I438-R441 WeakPolarHBondContact O-CB 3.4Å; I438-R441 PolarHBondContact O-N 3.16Å; R441-F444 CarbonylContact O-C 3.54Å; R441-F444 VanDerWaalsContact O-C 3.27Å; R441-F444 PolarHBondContact O-N 3Å; R441-P445 PolarHBondContact NH1-O 2.85Å; R441-P445 PolarHBondContact NH2-O 3.3Å; R441-L447 PolarHBondContact NH1-O 2.73Å; R441-Y466 WeakPolarHBondContact CG-OH 3.4Å; R441-F470 HydrophobicContact CG-CD1 4.33Å; R441-F470 HydrophobicContact CG-CE1 4.09Å; R441-F470 HydrophobicContact CG-CZ 4.31Å
442T91.8Very high96.6Very high105 Ų10528.2 Ų28.264%0.64416%0.159SC*.THydrogen-bonded Turntrans-64.7-40179.6-51.70000112L440L440-T442 VanDerWaalsContact C-N 3.3Å; L440-T442 PolarHBondContact O-N 3.24Å
443S93Very high96.6Very high75 Ų7528.2 Ų28.252%0.52416%0.159SC..THydrogen-bonded Turntrans-82.7-26.4179.1-56.70000113L440L440-S443 PolarHBondContact O-N 3.44Å; L440-S443 VanDerWaalsContact O-N 3.11Å
444F95.3Very high96.4Very high45 Ų4528.2 Ų28.220%0.19716%0.159CC..  trans-127.880.1-179.3-62.7-85.3000111.3L409 F413 L421 L440 R441 T446 L447L409-F444 HydrophobicContact CD1-CE2 3.96Å; L409-F444 HydrophobicContact CD1-CZ 4.19Å; F413-F444 AromaticContact CD2-CE1 3.91Å; F413-F444 HydrophobicContact CD2-CE1 3.91Å; F413-F444 HydrophobicContact CD2-CZ 4.16Å; F413-F444 HydrophobicContact CE2-CD1 4.28Å; F413-F444 AromaticContact CE2-CE1 3.38Å; F413-F444 HydrophobicContact CE2-CE1 3.38Å; F413-F444 AromaticContact CE2-CZ 3.77Å; F413-F444 HydrophobicContact CE2-CZ 3.77Å; F413-F444 HydrophobicContact CZ-CD1 4.4Å; F413-F444 AromaticContact CZ-CE1 3.87Å; F413-F444 HydrophobicContact CZ-CE1 3.87Å; L421-F444 HydrophobicContact CB-CD1 4.35Å; L421-F444 HydrophobicContact CD2-CB 4.13Å; L421-F444 HydrophobicContact CD2-CD1 3.96Å; L421-F444 HydrophobicContact CD2-CD2 3.7Å; L421-F444 HydrophobicContact CD2-CE1 4.29Å; L421-F444 HydrophobicContact CD2-CE2 4.05Å; L421-F444 HydrophobicContact CD2-CG 3.65Å; L421-F444 HydrophobicContact CD2-CZ 4.33Å; L440-F444 HydrophobicContact CB-CD2 4.34Å; L440-F444 HydrophobicContact CD2-CD2 4.37Å; L440-F444 HydrophobicContact CD2-CE2 4.37Å; L440-F444 PolarHBondContact O-N 3.03Å; R441-F444 CarbonylContact O-C 3.54Å; R441-F444 VanDerWaalsContact O-C 3.27Å; R441-F444 PolarHBondContact O-N 3Å; F444-T446 PolarHBondContact O-N 2.95Å; F444-T446 VanDerWaalsContact O-N 3.09Å; F444-L447 HydrophobicContact CB-CB 3.92Å; F444-L447 WeakPolarHBondContact O-CB 3.48Å; F444-L447 PolarHBondContact O-N 3.01Å
445P93.8Very high96.1Very high85 Ų8528.9 Ų28.955%0.55216%0.163SC*.THydrogen-bonded Turntrans-67-11.3-176.1-22.734.5000115.3R441R441-P445 PolarHBondContact NH1-O 2.85Å; R441-P445 PolarHBondContact NH2-O 3.3Å
446T95.1Very high95.6Very high100 Ų10029.1 Ų29.161%0.61317%0.165SC*.THydrogen-bonded Turntrans-101.3-0.3176.355.90000113F444F444-T446 PolarHBondContact O-N 2.95Å; F444-T446 VanDerWaalsContact O-N 3.09Å
447L96.9Very high95.1Very high0 Ų029.7 Ų29.70%017%0.171CC..  trans-56.6140180165.7146.6000111.5L421 V423 A437 L440 R441 F444 F470L421-L447 HydrophobicContact CB-CB 4.43Å; L421-L447 HydrophobicContact CB-CD1 4.4Å; L421-L447 HydrophobicContact CD2-CD1 3.66Å; L421-L447 HydrophobicContact CG-CD1 3.87Å; L421-L447 WeakPolarHBondContact O-CA 3.4Å; V423-L447 HydrophobicContact CG2-CD1 3.74Å; A437-L447 HydrophobicContact CB-CD2 3.59Å; L440-L447 HydrophobicContact CB-CD1 3.95Å; L440-L447 HydrophobicContact CD1-CD1 4.28Å; R441-L447 PolarHBondContact NH1-O 2.73Å; F444-L447 HydrophobicContact CB-CB 3.92Å; F444-L447 WeakPolarHBondContact O-CB 3.48Å; F444-L447 PolarHBondContact O-N 3.01Å; L447-F470 HydrophobicContact CD2-CD2 3.93Å; L447-F470 WeakPolarHBondContact O-CB 3.38Å
448K98Very high94.8Very high78 Ų7829.7 Ų29.734%0.33917%0.171SC..EExtended strand (participates in β ladder)trans-120.4151.3169.3-71.1-66.9-171.3172.30110.8L421 V422 V423 Y450 D469 F470L421-K448 PolarHBondContact O-N 3.01Å; V422-K448 WeakPolarHBondContact CA-O 3.33Å; V423-K448 PolarHBondContact N-O 2.9Å; K448-Y450 HydrophobicContact CB-CE2 4.3Å; K448-D469 PolarHBondContact NZ-O 3.26Å; K448-F470 CarbonylContact C-O 3.54Å; K448-F470 WeakPolarHBondContact CA-O 3.5Å
449C98.6Very high94.6Very high0 Ų029.4 Ų29.40%017%0.17CC..EExtended strand (participates in β ladder)trans-129.2129.8177.3-175.50000110.7V423 A437 S451 F470 V471 V472V423-C449 CarbonylContact O-C 3.38Å; V423-C449 WeakPolarHBondContact O-CA 3.3Å; A437-C449 HydrophobicContact CB-CB 3.7Å; C449-S451 PolarHBondContact SG-OG 3.31Å; C449-S451 VanDerWaalsContact SG-OG 3.4Å; C449-F470 PolarHBondContact N-O 3.44Å; C449-V471 HydrophobicContact CB-CB 4.28Å; C449-V471 HydrophobicContact CB-CG1 4.16Å; C449-V471 HydrophobicContact CB-CG2 3.93Å; C449-V471 CarbonylContact O-C 3.56Å; C449-V471 WeakPolarHBondContact O-CA 3.28Å; C449-V472 PolarHBondContact O-N 3.35Å
450Y98.5Very high94.4Very high6 Ų627.5 Ų27.52%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-111.1106.1173.6-71.8-91.6000109.5E258 N261 A262 Y265 V422 V423 T424 G425 K448 V472E258-Y450 WeakPolarHBondContact OE2-CE1 3.37Å; E258-Y450 PolarHBondContact OE2-OH 3.4Å; N261-Y450 HydrophobicContact CB-CE1 3.76Å; N261-Y450 HydrophobicContact CB-CE2 4.36Å; N261-Y450 VanDerWaalsContact CB-OH 3.25Å; N261-Y450 WeakPolarHBondContact CB-OH 3.3Å; N261-Y450 PolarHBondContact ND2-OH 3.48Å; N261-Y450 VanDerWaalsContact ND2-OH 3.11Å; A262-Y450 HydrophobicContact CB-CD1 4.29Å; Y265-Y450 HydrophobicContact CD2-CD1 4.15Å; Y265-Y450 AromaticContact CD2-CD2 3.14Å; Y265-Y450 HydrophobicContact CD2-CD2 3.14Å; Y265-Y450 HydrophobicContact CD2-CE1 4.29Å; Y265-Y450 AromaticContact CD2-CE2 3.31Å; Y265-Y450 HydrophobicContact CD2-CE2 3.31Å; Y265-Y450 AromaticContact CD2-CG 3.61Å; Y265-Y450 HydrophobicContact CD2-CG 3.61Å; Y265-Y450 AromaticContact CD2-CZ 3.92Å; Y265-Y450 AromaticContact CE2-CD2 3.62Å; Y265-Y450 HydrophobicContact CE2-CD2 3.62Å; Y265-Y450 AromaticContact CE2-CE2 3.3Å; Y265-Y450 HydrophobicContact CE2-CE2 3.3Å; Y265-Y450 HydrophobicContact CE2-CG 4.46Å; Y265-Y450 AromaticContact CE2-CZ 3.95Å; Y265-Y450 AromaticContact CG-CD2 3.91Å; Y265-Y450 HydrophobicContact CG-CD2 3.91Å; Y265-Y450 HydrophobicContact CG-CE2 4.44Å; Y265-Y450 HydrophobicContact CG-CG 4.24Å; V422-Y450 HydrophobicContact CG1-CD2 3.97Å; V422-Y450 HydrophobicContact CG1-CE2 4.45Å; V423-Y450 PolarHBondContact O-N 3.03Å; T424-Y450 VanDerWaalsContact CA-O 3.31Å; T424-Y450 WeakPolarHBondContact CA-O 3.36Å; T424-Y450 PolarHBondContact OG1-O 3.05Å; G425-Y450 PolarHBondContact N-O 3.18Å; K448-Y450 HydrophobicContact CB-CE2 4.3Å; Y450-V472 WeakPolarHBondContact CA-O 3.37Å; Y450-V472 HydrophobicContact CD1-CB 4.04Å; Y450-V472 HydrophobicContact CD1-CG1 4.33Å; Y450-V472 HydrophobicContact CE1-CB 4Å; Y450-V472 HydrophobicContact CE1-CG1 4.26Å; Y450-V472 HydrophobicContact CE1-CG2 4.26Å
451S97.9Very high94.2Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-105.5108.2-173.2-69.10000110.1A430 C449 V472 S473 V474A430-S451 PolarHBondContact O-OG 3.04Å; C449-S451 PolarHBondContact SG-OG 3.31Å; C449-S451 VanDerWaalsContact SG-OG 3.4Å; S451-V472 PolarHBondContact N-O 3.16Å; S451-S473 CarbonylContact O-C 3.27Å; S451-S473 VanDerWaalsContact O-CA 3.22Å; S451-S473 WeakPolarHBondContact O-CA 3.3Å; S451-V474 PolarHBondContact O-N 3.44Å
452F98Very high94.1Very high0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-94.9121.1-177.3-59.1-81.2000110.9A262 M266 A269 T424 G425 H426 S427 A430 V474 V628 L632A262-F452 HydrophobicContact CB-CE1 4.13Å; A262-F452 HydrophobicContact CB-CZ 4.44Å; A262-F452 WeakPolarHBondContact O-CE1 3.38Å; A262-F452 WeakPolarHBondContact O-CZ 3.44Å; M266-F452 VanDerWaalsContact CA-CE2 3.45Å; M266-F452 HydrophobicContact CB-CD1 4.11Å; M266-F452 HydrophobicContact CB-CD2 4.42Å; M266-F452 HydrophobicContact CB-CE1 3.65Å; M266-F452 HydrophobicContact CB-CE2 3.96Å; M266-F452 HydrophobicContact CB-CZ 3.58Å; M266-F452 HydrophobicContact CG-CD1 4.21Å; M266-F452 HydrophobicContact CG-CE1 4.24Å; M266-F452 HydrophobicContact CG-CG 4.47Å; M266-F452 HydrophobicContact CG-CZ 4.49Å; M266-F452 VanDerWaalsContact N-CZ 3.29Å; M266-F452 HydrophobicContact SD-CB 3.57Å; M266-F452 VanDerWaalsContact SD-CB 3.57Å; M266-F452 HydrophobicContact SD-CD1 3.35Å; M266-F452 WeakPolarHBondContact SD-CD1 3.49Å; M266-F452 HydrophobicContact SD-CD2 3.62Å; M266-F452 HydrophobicContact SD-CE1 3.93Å; M266-F452 HydrophobicContact SD-CE2 4.14Å; M266-F452 HydrophobicContact SD-CG 3.2Å; M266-F452 WeakPolarHBondContact SD-CG 3.23Å; M266-F452 HydrophobicContact SD-CZ 4.3Å; A269-F452 HydrophobicContact CB-CD2 3.77Å; A269-F452 HydrophobicContact CB-CE2 4.15Å; T424-F452 VanDerWaalsContact OG1-CE2 3.26Å; T424-F452 WeakPolarHBondContact OG1-CE2 3.07Å; G425-F452 WeakPolarHBondContact O-CD2 3.02Å; G425-F452 PolarHBondContact O-N 3.01Å; H426-F452 CarbonylContact C-O 3.59Å; H426-F452 VanDerWaalsContact CA-O 3.26Å; H426-F452 WeakPolarHBondContact CA-O 3.41Å; H426-F452 HydrophobicContact CB-CB 4.23Å; H426-F452 PolarHBondContact CD2-O 3.21Å; S427-F452 PolarHBondContact N-O 2.97Å; A430-F452 VanDerWaalsContact CB-O 3.25Å; A430-F452 WeakPolarHBondContact CB-O 2.96Å; F452-V474 HydrophobicContact CD1-CB 3.67Å; F452-V474 HydrophobicContact CD1-CG1 4.26Å; F452-V474 HydrophobicContact CD1-CG2 3.88Å; F452-V474 HydrophobicContact CE1-CB 4Å; F452-V474 HydrophobicContact CE1-CG2 3.69Å; F452-V628 HydrophobicContact CD1-CG1 4.09Å; F452-L632 HydrophobicContact CD1-CD1 4.38Å; F452-L632 HydrophobicContact CE1-CD1 3.89Å
453S96.1Very high94.2Very high0 Ų027.6 Ų27.60%016%0.158CC..SBendtrans51.449.7-177.8-630000113.8S427 V474 D479 V481 H623S427-S453 WeakPolarHBondContact CA-O 3.5Å; S453-V474 PolarHBondContact N-O 3.39Å; S453-D479 WeakPolarHBondContact CB-OD2 3.48Å; S453-D479 PolarHBondContact OG-OD2 3.01Å; S453-V481 WeakPolarHBondContact O-CG1 3.34Å; S453-H623 WeakPolarHBondContact CB-ND1 3.39Å
454P95.6Very high94.3Very high0 Ų024.1 Ų24.10%013%0.134CC..  trans-66.5149.7-179.330.6-35.2000110.8A430 P482 P578A430-P454 HydrophobicContact CB-CB 3.95Å; P454-P482 WeakPolarHBondContact O-CA 3.27Å; P454-P482 WeakPolarHBondContact O-CG 3.32Å; P454-P578 HydrophobicContact CB-CG 3.89Å; P454-P578 HydrophobicContact CG-CG 4.09Å
455P91.7Very high94.2Very high13 Ų1327.2 Ų27.28%0.08415%0.149CC..  trans-63.6139.1177.727.2-34.8000111.4M392 G457 L458 V481M392-P455 HydrophobicContact CE-CB 4.28Å; M392-P455 HydrophobicContact CE-CG 3.63Å; M392-P455 HydrophobicContact SD-CG 3.56Å; M392-P455 VanDerWaalsContact SD-CG 3.56Å; P455-G457 VanDerWaalsContact C-N 3.26Å; P455-G457 PolarHBondContact O-N 2.78Å; P455-L458 HydrophobicContact CG-CB 4.43Å; P455-L458 HydrophobicContact CG-CD1 4.26Å; P455-V481 WeakPolarHBondContact CA-O 3.22Å; P455-V481 HydrophobicContact CB-CG1 4.14Å
456G86.8Confident94.3Very high5 Ų525.8 Ų25.85%0.05213%0.133CC..SBendtrans-67.3-26.3-179.800000113.8L458 V481 P482 L575 Y576 P577G456-L458 PolarHBondContact O-N 2.88Å; G456-V481 PolarHBondContact N-O 3.01Å; G456-P482 WeakPolarHBondContact CA-O 3.38Å; G456-L575 CarbonylContact O-C 3.52Å; G456-Y576 CarbonylContact O-C 3.54Å; G456-Y576 WeakPolarHBondContact O-CA 3.41Å; G456-Y576 PolarHBondContact O-N 3.19Å; G456-P577 WeakPolarHBondContact O-CD 3.46Å; G456-P577 VanDerWaalsContact O-N 3.13Å
457G87Confident94.3Very high12 Ų1221 Ų2112%0.12410%0.104CC..SBendtrans-9245.817900000114.2P455 L484 L575P455-G457 VanDerWaalsContact C-N 3.26Å; P455-G457 PolarHBondContact O-N 2.78Å; G457-L484 PolarHBondContact N-O 3.07Å; G457-L575 WeakPolarHBondContact O-CD1 3.48Å
458L91.4Very high94.2Very high0 Ų023.5 Ų23.50%012%0.115CC..SBendtrans-97-54.1-172.3-170.970.4000114.5A388 H389 M392 A434 L435 P455 G456 Y576 P578A388-L458 CarbonylContact C-O 3.55Å; A388-L458 VanDerWaalsContact CA-O 3.28Å; A388-L458 WeakPolarHBondContact CA-O 3.28Å; H389-L458 HydrophobicContact CB-CD1 4.14Å; H389-L458 PolarHBondContact N-O 3.21Å; M392-L458 HydrophobicContact CB-CD1 4.11Å; M392-L458 HydrophobicContact CG-CD1 4.42Å; M392-L458 HydrophobicContact SD-CD1 3.67Å; A434-L458 HydrophobicContact CB-CD2 4.05Å; L435-L458 HydrophobicContact CD1-CD1 3.74Å; L435-L458 HydrophobicContact CD1-CG 4.4Å; L435-L458 HydrophobicContact CG-CD1 4.32Å; P455-L458 HydrophobicContact CG-CB 4.43Å; P455-L458 HydrophobicContact CG-CD1 4.26Å; G456-L458 PolarHBondContact O-N 2.88Å; L458-Y576 PolarHBondContact N-O 2.96Å; L458-P578 HydrophobicContact CD2-CB 4.02Å; L458-P578 HydrophobicContact CD2-CG 3.58Å
459L93.4Very high94Very high0 Ų025.3 Ų25.30%013%0.128CC..BIsolated β-bridgetrans-123.4147.3-167.7-64.1-177.4000112.5Y387 A388 L435 I438 L463 A464 L575 Y576 P578Y387-L459 CarbonylContact O-C 3.58Å; A388-L459 HydrophobicContact CB-CD2 4.22Å; L435-L459 HydrophobicContact CD2-CD2 3.53Å; L435-L459 HydrophobicContact CG-CD2 4.39Å; I438-L459 HydrophobicContact CD1-CD1 3.89Å; I438-L459 HydrophobicContact CD1-CD2 3.97Å; L459-L463 HydrophobicContact CB-CB 3.99Å; L459-L463 HydrophobicContact CD1-CB 4.21Å; L459-L463 HydrophobicContact CD2-CB 4.19Å; L459-L463 HydrophobicContact CD2-CD1 4.24Å; L459-L463 HydrophobicContact CG-CB 4.36Å; L459-A464 HydrophobicContact CB-CB 4.28Å; L459-L575 VanDerWaalsContact C-CD2 3.49Å; L459-L575 CarbonylContact O-C 3.59Å; L459-L575 VanDerWaalsContact O-CA 3.26Å; L459-L575 WeakPolarHBondContact O-CA 3.28Å; L459-Y576 PolarHBondContact N-O 3.17Å; L459-Y576 PolarHBondContact O-N 3.15Å; L459-P578 HydrophobicContact CD1-CB 3.7Å; L459-P578 HydrophobicContact CG-CB 4.46Å
460S93.1Very high93.9Very high2 Ų225.4 Ų25.41%0.01413%0.129CC..  trans-65.2158.5165.569.70000110.7P385 C386 Y387 L463 A464P385-S460 WeakPolarHBondContact O-CB 3.21Å; P385-S460 PolarHBondContact O-OG 2.89Å; C386-S460 WeakPolarHBondContact CA-OG 3.28Å; Y387-S460 PolarHBondContact N-OG 3.17Å; Y387-S460 PolarHBondContact O-N 2.92Å; S460-L463 PolarHBondContact O-N 2.84Å; S460-A464 PolarHBondContact O-N 3.21Å
461Q91.3Very high93.9Very high124 Ų12425.2 Ų25.258%0.57913%0.128SC*.Hα-helixtrans-52.9-44.3-176.4-175.5177.5-9.700114.1L463 A464 E465 Y576Q461-L463 VanDerWaalsContact C-N 3.34Å; Q461-L463 PolarHBondContact O-N 2.94Å; Q461-A464 PolarHBondContact O-N 2.9Å; Q461-E465 PolarHBondContact O-N 3.48Å; Q461-Y576 HydrophobicContact CB-CD2 4.04Å; Q461-Y576 HydrophobicContact CB-CE2 3.76Å; Q461-Y576 HydrophobicContact CG-CE2 4.44Å
462P93.5Very high93.9Very high34 Ų3425.6 Ų25.622%0.22113%0.131CC..Hα-helixtrans-61.7-38.6176.4-23.835000113.6V382 Y466V382-P462 HydrophobicContact CG1-CB 3.6Å; P462-Y466 WeakPolarHBondContact O-CB 3.18Å; P462-Y466 PolarHBondContact O-N 3.36Å
463L94.2Very high93.9Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-72.8-37.3178.2-72.8179.4000112.2L377 V379 C386 Y387 L459 S460 Q461 E465 Y466 S467L377-L463 HydrophobicContact CB-CD1 4.24Å; L377-L463 HydrophobicContact CD2-CD1 4.35Å; L377-L463 HydrophobicContact CG-CD1 4.48Å; V379-L463 HydrophobicContact CB-CD2 4.26Å; V379-L463 HydrophobicContact CG2-CD2 3.6Å; C386-L463 HydrophobicContact CB-CD1 3.94Å; C386-L463 HydrophobicContact CB-CD2 4.04Å; C386-L463 HydrophobicContact CB-CG 3.88Å; Y387-L463 WeakPolarHBondContact O-CD1 3.32Å; L459-L463 HydrophobicContact CB-CB 3.99Å; L459-L463 HydrophobicContact CD1-CB 4.21Å; L459-L463 HydrophobicContact CD2-CB 4.19Å; L459-L463 HydrophobicContact CD2-CD1 4.24Å; L459-L463 HydrophobicContact CG-CB 4.36Å; S460-L463 PolarHBondContact O-N 2.84Å; Q461-L463 VanDerWaalsContact C-N 3.34Å; Q461-L463 PolarHBondContact O-N 2.94Å; L463-E465 VanDerWaalsContact C-N 3.33Å; L463-Y466 PolarHBondContact O-N 2.88Å; L463-S467 WeakPolarHBondContact O-CB 3.46Å; L463-S467 PolarHBondContact O-N 3.28Å; L463-S467 PolarHBondContact O-OG 3.36Å
464A93.9Very high94Very high2 Ų225.6 Ų25.62%0.01713%0.131CC..Hα-helixtrans-60.5-45.517400000110.6L459 S460 Q461 S467 K468L459-A464 HydrophobicContact CB-CB 4.28Å; S460-A464 PolarHBondContact O-N 3.21Å; Q461-A464 PolarHBondContact O-N 2.9Å; A464-S467 PolarHBondContact O-N 3.04Å; A464-S467 PolarHBondContact O-OG 3.37Å; A464-K468 PolarHBondContact O-N 3.45Å
465E93.8Very high94Very high111 Ų11125.8 Ų25.852%0.51913%0.131SC..Hα-helixtrans-62.4-48.7175.7-165.763.6-152.300111.9Q461 L463 S467 K468Q461-E465 PolarHBondContact O-N 3.48Å; L463-E465 VanDerWaalsContact C-N 3.33Å; E465-S467 PolarHBondContact O-N 3.04Å; E465-K468 WeakPolarHBondContact O-CB 3.25Å; E465-K468 PolarHBondContact O-N 2.85Å; E465-K468 VanDerWaalsContact O-N 3.12Å; E465-K468 IonicContact OE1-NZ 3.46Å; E465-K468 WeakPolarHBondContact OE2-CE 3.37Å; E465-K468 IonicContact OE2-NZ 2.82Å; E465-K468 PolarHBondContact OE2-NZ 3.5Å
466Y95.1Very high94.1Very high55 Ų5525.3 Ų25.322%0.21613%0.128CC..Hα-helixtrans-55.7-37.9176.6174.6-104.5000112.8V379 V382 I438 R441 P462 L463 K468 F470V379-Y466 HydrophobicContact CG1-CD1 4.36Å; V379-Y466 HydrophobicContact CG1-CE1 3.81Å; V379-Y466 HydrophobicContact CG1-CE2 4.25Å; V382-Y466 HydrophobicContact CG2-CD1 4.36Å; V382-Y466 HydrophobicContact CG2-CD2 3.5Å; V382-Y466 HydrophobicContact CG2-CE2 4.07Å; V382-Y466 HydrophobicContact CG2-CG 3.65Å; I438-Y466 HydrophobicContact CG2-CE1 4.4Å; R441-Y466 WeakPolarHBondContact CG-OH 3.4Å; P462-Y466 WeakPolarHBondContact O-CB 3.18Å; P462-Y466 PolarHBondContact O-N 3.36Å; L463-Y466 PolarHBondContact O-N 2.88Å; Y466-K468 VanDerWaalsContact C-N 3.28Å; Y466-K468 PolarHBondContact O-N 3.45Å; Y466-F470 AromaticContact CD1-CE1 3.89Å; Y466-F470 HydrophobicContact CD1-CE1 3.89Å; Y466-F470 HydrophobicContact CD1-CZ 4.06Å; Y466-F470 AromaticContact CE1-CE1 3.6Å; Y466-F470 HydrophobicContact CE1-CE1 3.6Å; Y466-F470 AromaticContact CE1-CZ 3.73Å; Y466-F470 HydrophobicContact CE1-CZ 3.73Å; Y466-F470 WeakPolarHBondContact O-CE1 3.39Å
467S95.8Very high94.2Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-72.6-15.1-178.168.80000114.5L463 A464 E465 D469 F470 V471 G579L463-S467 WeakPolarHBondContact O-CB 3.46Å; L463-S467 PolarHBondContact O-N 3.28Å; L463-S467 PolarHBondContact O-OG 3.36Å; A464-S467 PolarHBondContact O-N 3.04Å; A464-S467 PolarHBondContact O-OG 3.37Å; E465-S467 PolarHBondContact O-N 3.04Å; S467-D469 PolarHBondContact O-N 3.37Å; S467-F470 PolarHBondContact O-N 3.04Å; S467-V471 VanDerWaalsContact O-CB 3.3Å; S467-V471 WeakPolarHBondContact O-CB 3.27Å; S467-V471 WeakPolarHBondContact O-CG2 3.15Å; S467-V471 PolarHBondContact O-N 3.14Å; S467-G579 PolarHBondContact OG-N 3.04Å
468K94.8Very high94.1Very high52 Ų5228.2 Ų28.223%0.22614%0.139CC..THydrogen-bonded Turntrans-61.4-27.6-178.6-72.8175.1179.8170.70113.7A464 E465 Y466 F470 E607A464-K468 PolarHBondContact O-N 3.45Å; E465-K468 WeakPolarHBondContact O-CB 3.25Å; E465-K468 PolarHBondContact O-N 2.85Å; E465-K468 VanDerWaalsContact O-N 3.12Å; E465-K468 IonicContact OE1-NZ 3.46Å; E465-K468 WeakPolarHBondContact OE2-CE 3.37Å; E465-K468 IonicContact OE2-NZ 2.82Å; E465-K468 PolarHBondContact OE2-NZ 3.5Å; Y466-K468 VanDerWaalsContact C-N 3.28Å; Y466-K468 PolarHBondContact O-N 3.45Å; K468-F470 VanDerWaalsContact C-N 3.29Å; K468-F470 PolarHBondContact O-N 3.3Å; K468-E607 WeakPolarHBondContact CE-OE1 3.24Å; K468-E607 IonicContact NZ-OE1 2.8Å; K468-E607 PolarHBondContact NZ-OE1 2.95Å
469D94.4Very high93.8Very high116 Ų11628.2 Ų28.262%0.6214%0.139SC*.THydrogen-bonded Turntrans-70.2-26.7-177.3-68.6-12.5000113.1K448 S467K448-D469 PolarHBondContact NZ-O 3.26Å; S467-D469 PolarHBondContact O-N 3.37Å
470F96.6Very high93.3Very high2 Ų229.5 Ų29.51%0.00915%0.145CC..THydrogen-bonded Turntrans-135.6-9.6-171.262.2-88.9000115.3A437 I438 R441 L447 K448 C449 Y466 S467 K468A437-F470 HydrophobicContact CB-CD2 4.12Å; A437-F470 HydrophobicContact CB-CE2 3.85Å; I438-F470 HydrophobicContact CG1-CE2 4.11Å; I438-F470 HydrophobicContact CG1-CZ 3.76Å; R441-F470 HydrophobicContact CG-CD1 4.33Å; R441-F470 HydrophobicContact CG-CE1 4.09Å; R441-F470 HydrophobicContact CG-CZ 4.31Å; L447-F470 HydrophobicContact CD2-CD2 3.93Å; L447-F470 WeakPolarHBondContact O-CB 3.38Å; K448-F470 CarbonylContact C-O 3.54Å; K448-F470 WeakPolarHBondContact CA-O 3.5Å; C449-F470 PolarHBondContact N-O 3.44Å; Y466-F470 AromaticContact CD1-CE1 3.89Å; Y466-F470 HydrophobicContact CD1-CE1 3.89Å; Y466-F470 HydrophobicContact CD1-CZ 4.06Å; Y466-F470 AromaticContact CE1-CE1 3.6Å; Y466-F470 HydrophobicContact CE1-CE1 3.6Å; Y466-F470 AromaticContact CE1-CZ 3.73Å; Y466-F470 HydrophobicContact CE1-CZ 3.73Å; Y466-F470 WeakPolarHBondContact O-CE1 3.39Å; S467-F470 PolarHBondContact O-N 3.04Å; K468-F470 VanDerWaalsContact C-N 3.29Å; K468-F470 PolarHBondContact O-N 3.3Å
471V98.2Very high93Very high1 Ų130.3 Ų30.31%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-109.5125.7175.7-172.90000109.9A434 C449 S467 P578 G579 H580A434-V471 HydrophobicContact CB-CG1 4.29Å; C449-V471 HydrophobicContact CB-CB 4.28Å; C449-V471 HydrophobicContact CB-CG1 4.16Å; C449-V471 HydrophobicContact CB-CG2 3.93Å; C449-V471 CarbonylContact O-C 3.56Å; C449-V471 WeakPolarHBondContact O-CA 3.28Å; S467-V471 VanDerWaalsContact O-CB 3.3Å; S467-V471 WeakPolarHBondContact O-CB 3.27Å; S467-V471 WeakPolarHBondContact O-CG2 3.15Å; S467-V471 PolarHBondContact O-N 3.14Å; V471-P578 HydrophobicContact CG1-CB 4.25Å; V471-P578 HydrophobicContact CG1-CG 4.5Å; V471-G579 CarbonylContact O-C 3.5Å; V471-G579 WeakPolarHBondContact O-CA 3.24Å; V471-H580 PolarHBondContact O-N 3.25Å
472V97.9Very high93Very high9 Ų924.4 Ų24.46%0.05512%0.123CC..EExtended strand (participates in β ladder)trans-106.3120.9168.3178.70000107.9C449 Y450 S451 W604C449-V472 PolarHBondContact O-N 3.35Å; Y450-V472 WeakPolarHBondContact CA-O 3.37Å; Y450-V472 HydrophobicContact CD1-CB 4.04Å; Y450-V472 HydrophobicContact CD1-CG1 4.33Å; Y450-V472 HydrophobicContact CE1-CB 4Å; Y450-V472 HydrophobicContact CE1-CG1 4.26Å; Y450-V472 HydrophobicContact CE1-CG2 4.26Å; S451-V472 PolarHBondContact N-O 3.16Å; V472-W604 HydrophobicContact CG1-CH2 4.19Å; V472-W604 HydrophobicContact CG1-CZ3 4.23Å
473S97.8Very high92.6Very high0 Ų023.1 Ų23.10%011%0.114CC..EExtended strand (participates in β ladder)trans-105.4124.3-179.8-730000110.6S451 P578 H580 I581 L582S451-S473 CarbonylContact O-C 3.27Å; S451-S473 VanDerWaalsContact O-CA 3.22Å; S451-S473 WeakPolarHBondContact O-CA 3.3Å; S473-P578 VanDerWaalsContact CB-O 3.31Å; S473-P578 WeakPolarHBondContact CB-O 3.42Å; S473-P578 PolarHBondContact OG-O 3.1Å; S473-H580 PolarHBondContact N-O 2.81Å; S473-I581 CarbonylContact O-C 3.46Å; S473-I581 VanDerWaalsContact O-CA 3.32Å; S473-I581 WeakPolarHBondContact O-CA 3.39Å; S473-L582 PolarHBondContact O-N 3.07Å
474V97.8Very high92Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-106.1126.6-178.8-176.30000109.6A262 S451 F452 S453 L582 I584 V628 L632A262-V474 HydrophobicContact CB-CG2 3.95Å; S451-V474 PolarHBondContact O-N 3.44Å; F452-V474 HydrophobicContact CD1-CB 3.67Å; F452-V474 HydrophobicContact CD1-CG1 4.26Å; F452-V474 HydrophobicContact CD1-CG2 3.88Å; F452-V474 HydrophobicContact CE1-CB 4Å; F452-V474 HydrophobicContact CE1-CG2 3.69Å; S453-V474 PolarHBondContact N-O 3.39Å; V474-L582 WeakPolarHBondContact CA-O 3.35Å; V474-L582 HydrophobicContact CG2-CB 4.35Å; V474-L582 HydrophobicContact CG2-CD2 4.2Å; V474-I584 HydrophobicContact CG1-CD1 3.72Å; V474-I584 HydrophobicContact CG1-CG1 4.43Å; V474-V628 HydrophobicContact CG1-CG1 4.33Å; V474-L632 HydrophobicContact CG1-CD1 4.46Å; V474-L632 HydrophobicContact CG1-CD2 4.31Å
475V96.3Very high91.2Very high3 Ų326.8 Ų26.82%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-127.8129.6178.8-179.60000110.2D479 P482 I581 L582 Y583 I584 F610V475-D479 HydrophobicContact CG1-CB 4.21Å; V475-P482 HydrophobicContact CB-CG 4.31Å; V475-P482 HydrophobicContact CG1-CB 4.13Å; V475-P482 HydrophobicContact CG1-CG 3.72Å; V475-P482 HydrophobicContact CG2-CB 3.91Å; V475-P482 HydrophobicContact CG2-CG 3.65Å; V475-I581 HydrophobicContact CG2-CG2 3.99Å; V475-L582 PolarHBondContact N-O 2.96Å; V475-Y583 HydrophobicContact CB-CD2 4.27Å; V475-Y583 HydrophobicContact CG1-CD2 4.25Å; V475-Y583 HydrophobicContact CG1-CE2 4.44Å; V475-Y583 WeakPolarHBondContact O-CD2 3.44Å; V475-I584 PolarHBondContact O-N 3.02Å; V475-F610 HydrophobicContact CB-CE1 3.91Å; V475-F610 HydrophobicContact CB-CZ 4.04Å; V475-F610 HydrophobicContact CG1-CD1 4.25Å; V475-F610 HydrophobicContact CG1-CE1 3.46Å; V475-F610 VanDerWaalsContact CG1-CE1 3.46Å; V475-F610 HydrophobicContact CG1-CZ 4.12Å; V475-F610 HydrophobicContact CG2-CE1 4.14Å; V475-F610 HydrophobicContact CG2-CZ 4.17Å
476L93.3Very high90.4Very high3 Ų324.2 Ų24.22%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-100.6126.5178178.962.4000111.5K478 D479 I584 Y600 D622 A627 V628 A631L476-K478 PolarHBondContact O-N 3.42Å; L476-D479 VanDerWaalsContact O-CB 3.23Å; L476-D479 WeakPolarHBondContact O-CB 3.16Å; L476-D479 PolarHBondContact O-N 2.86Å; L476-D479 VanDerWaalsContact O-N 3.11Å; L476-I584 HydrophobicContact CD1-CB 3.93Å; L476-I584 HydrophobicContact CD1-CG2 3.67Å; L476-Y600 HydrophobicContact CD1-CD1 4.23Å; L476-Y600 HydrophobicContact CD1-CE1 4.01Å; L476-D622 HydrophobicContact CD2-CB 4.37Å; L476-D622 HydrophobicContact CG-CB 4.2Å; L476-A627 HydrophobicContact CD2-CB 3.98Å; L476-V628 HydrophobicContact CB-CG2 4.2Å; L476-V628 HydrophobicContact CD2-CG2 4.39Å; L476-A631 HydrophobicContact CD1-CB 3.75Å; L476-A631 HydrophobicContact CD2-CB 4.14Å
477G89.4Confident89.5Confident10 Ų1025.1 Ų25.110%0.10314%0.136CC..THydrogen-bonded Turntrans49.9-121.8163.200000114.3D479 Y583 I584G477-D479 VanDerWaalsContact C-N 3.34Å; G477-Y583 VanDerWaalsContact O-CE2 3.29Å; G477-Y583 WeakPolarHBondContact O-CE2 3.26Å; G477-Y583 PolarHBondContact O-OH 3.28Å; G477-Y583 VanDerWaalsContact O-OH 3.08Å; G477-I584 PolarHBondContact N-O 3.01Å
478K84.6Confident88.5Confident68 Ų6825.9 Ų25.930%0.29614%0.14SC..THydrogen-bonded Turntrans-9823.5-174.2-59.5-175.8-177.4-1770112.5L476 L480 L614 S616 M619 D622L476-K478 PolarHBondContact O-N 3.42Å; K478-L480 PolarHBondContact O-N 2.84Å; K478-L614 HydrophobicContact CB-CB 4.29Å; K478-L614 HydrophobicContact CG-CB 4.45Å; K478-L614 HydrophobicContact CG-CD1 4.14Å; K478-S616 WeakPolarHBondContact CD-OG 3.33Å; K478-M619 WeakPolarHBondContact O-CA 3.41Å; K478-M619 WeakPolarHBondContact O-CB 3.5Å; K478-D622 PolarHBondContact N-OD2 2.9Å
479D84.2Confident87.5Confident0 Ų027.7 Ų27.70%015%0.151CC..  trans-47.1126.8-179.5-173-16.6000112.4S453 V475 L476 G477 V481 P482 R483 M619 D622 H623S453-D479 WeakPolarHBondContact CB-OD2 3.48Å; S453-D479 PolarHBondContact OG-OD2 3.01Å; V475-D479 HydrophobicContact CG1-CB 4.21Å; L476-D479 VanDerWaalsContact O-CB 3.23Å; L476-D479 WeakPolarHBondContact O-CB 3.16Å; L476-D479 PolarHBondContact O-N 2.86Å; L476-D479 VanDerWaalsContact O-N 3.11Å; G477-D479 VanDerWaalsContact C-N 3.34Å; D479-V481 PolarHBondContact OD1-N 2.91Å; D479-P482 HydrophobicContact CB-CG 4.43Å; D479-P482 VanDerWaalsContact OD1-CD 3.22Å; D479-P482 WeakPolarHBondContact OD1-CD 3.29Å; D479-R483 VanDerWaalsContact O-CD 3.26Å; D479-R483 WeakPolarHBondContact O-CD 3.27Å; D479-M619 WeakPolarHBondContact CA-O 3.46Å; D479-D622 HydrophobicContact CB-CB 4.47Å; D479-H623 VanDerWaalsContact CG-ND1 3.32Å; D479-H623 VanDerWaalsContact OD1-CB 3.28Å; D479-H623 WeakPolarHBondContact OD1-CB 3.33Å; D479-H623 IonicContact OD1-CG 3.79Å; D479-H623 IonicContact OD1-ND1 2.91Å; D479-H623 PolarHBondContact OD1-ND1 3.34Å; D479-H623 WeakPolarHBondContact OD2-CA 3.47Å; D479-H623 IonicContact OD2-CG 3.12Å; D479-H623 IonicContact OD2-ND1 4Å; D479-H623 PolarHBondContact OD2-ND1 2.96Å
480L82.8Confident86.5Confident27 Ų2727.5 Ų27.514%0.14115%0.146CC..SBendtrans-67.4-42.6178.9174.162.6000113K478 R483 L484 I613 M619 L620K478-L480 PolarHBondContact O-N 2.84Å; L480-R483 CarbonylContact O-C 3.47Å; L480-R483 WeakPolarHBondContact O-CA 3.43Å; L480-R483 WeakPolarHBondContact O-CB 3.22Å; L480-R483 PolarHBondContact O-N 2.96Å; L480-L484 HydrophobicContact CD1-CD2 3.74Å; L480-L484 HydrophobicContact CD1-CG 4.26Å; L480-L484 HydrophobicContact CD2-CD2 4.28Å; L480-L484 HydrophobicContact CG-CD1 4.41Å; L480-L484 HydrophobicContact CG-CD2 3.9Å; L480-L484 HydrophobicContact CG-CG 4.05Å; L480-L484 PolarHBondContact O-N 3.47Å; L480-L484 VanDerWaalsContact O-N 3.16Å; L480-I613 HydrophobicContact CD1-CD1 4.04Å; L480-I613 HydrophobicContact CD1-CG1 4.04Å; L480-I613 HydrophobicContact CD1-CG2 3.71Å; L480-M619 HydrophobicContact CB-CB 4.34Å; L480-M619 HydrophobicContact CB-CE 3.72Å; L480-M619 HydrophobicContact CB-CG 4.41Å; L480-M619 HydrophobicContact CD1-CE 3.26Å; L480-M619 HydrophobicContact CD2-CE 3.79Å; L480-M619 HydrophobicContact CG-CE 3.73Å; L480-M619 PolarHBondContact N-O 3.34Å; L480-M619 VanDerWaalsContact N-O 3.07Å; L480-L620 HydrophobicContact CD2-CD2 4.25Å
481V88.5Confident85.5Confident19 Ų1930.3 Ų30.312%0.11516%0.161CC..G310 helixtrans-65.7-44.1-163.6171.10000113.2S453 P455 G456 D479 R483 L484 H623S453-V481 WeakPolarHBondContact O-CG1 3.34Å; P455-V481 WeakPolarHBondContact CA-O 3.22Å; P455-V481 HydrophobicContact CB-CG1 4.14Å; G456-V481 PolarHBondContact N-O 3.01Å; D479-V481 PolarHBondContact OD1-N 2.91Å; V481-R483 PolarHBondContact O-N 3.27Å; V481-L484 HydrophobicContact CB-CD1 4.45Å; V481-L484 HydrophobicContact CG2-CD1 4.11Å; V481-L484 WeakPolarHBondContact O-CB 3.29Å; V481-L484 PolarHBondContact O-N 2.9Å; V481-H623 VanDerWaalsContact CB-CE1 3.41Å; V481-H623 WeakPolarHBondContact CB-CE1 3.4Å; V481-H623 WeakPolarHBondContact CG2-CE1 3.21Å; V481-H623 WeakPolarHBondContact CG2-ND1 3.49Å; V481-H623 WeakPolarHBondContact CG2-NE2 3.47Å
482P89.6Confident84.2Confident1 Ų131.2 Ų31.21%0.00617%0.166CC..G310 helixtrans-61.6-14.3172-25.337.2000114.3P454 G456 V475 D479 F610P454-P482 WeakPolarHBondContact O-CA 3.27Å; P454-P482 WeakPolarHBondContact O-CG 3.32Å; G456-P482 WeakPolarHBondContact CA-O 3.38Å; V475-P482 HydrophobicContact CB-CG 4.31Å; V475-P482 HydrophobicContact CG1-CB 4.13Å; V475-P482 HydrophobicContact CG1-CG 3.72Å; V475-P482 HydrophobicContact CG2-CB 3.91Å; V475-P482 HydrophobicContact CG2-CG 3.65Å; D479-P482 HydrophobicContact CB-CG 4.43Å; D479-P482 VanDerWaalsContact OD1-CD 3.22Å; D479-P482 WeakPolarHBondContact OD1-CD 3.29Å; P482-F610 HydrophobicContact CB-CD1 4.04Å; P482-F610 HydrophobicContact CB-CG 4.48Å; P482-F610 WeakPolarHBondContact O-CB 3.21Å
483R85.7Confident82.9Confident7 Ų737.2 Ų37.23%0.02619%0.191CC..G310 helixtrans-102.6-2.4178.8-57.2167178.7-74.2-8.9112.4D479 L480 V481 S485 N488 A609 F610 S612 I613 L614D479-R483 VanDerWaalsContact O-CD 3.26Å; D479-R483 WeakPolarHBondContact O-CD 3.27Å; L480-R483 CarbonylContact O-C 3.47Å; L480-R483 WeakPolarHBondContact O-CA 3.43Å; L480-R483 WeakPolarHBondContact O-CB 3.22Å; L480-R483 PolarHBondContact O-N 2.96Å; V481-R483 PolarHBondContact O-N 3.27Å; R483-S485 PolarHBondContact O-N 3.39Å; R483-N488 WeakPolarHBondContact O-CB 3.49Å; R483-N488 PolarHBondContact O-ND2 2.92Å; R483-A609 PolarHBondContact NH1-O 2.64Å; R483-A609 PolarHBondContact NH2-O 2.74Å; R483-F610 WeakPolarHBondContact CA-O 3.18Å; R483-F610 HydrophobicContact CG-CB 4.19Å; R483-F610 HydrophobicContact CG-CD1 4.25Å; R483-S612 WeakPolarHBondContact CD-O 3.28Å; R483-S612 WeakPolarHBondContact CG-O 3.35Å; R483-S612 PolarHBondContact NH1-O 3.45Å; R483-I613 HydrophobicContact CB-CG1 3.9Å; R483-I613 WeakPolarHBondContact O-CG1 3.45Å; R483-L614 VanDerWaalsContact CZ-CG 3.48Å; R483-L614 VanDerWaalsContact NH2-CD1 3.3Å
484L80.9Confident81.6Confident56 Ų5640 Ų4029%0.29321%0.211SC..  trans-74.2112.6176.5-70.1175.5000110G457 L480 V481 M489 I613G457-L484 PolarHBondContact N-O 3.07Å; L480-L484 HydrophobicContact CD1-CD2 3.74Å; L480-L484 HydrophobicContact CD1-CG 4.26Å; L480-L484 HydrophobicContact CD2-CD2 4.28Å; L480-L484 HydrophobicContact CG-CD1 4.41Å; L480-L484 HydrophobicContact CG-CD2 3.9Å; L480-L484 HydrophobicContact CG-CG 4.05Å; L480-L484 PolarHBondContact O-N 3.47Å; L480-L484 VanDerWaalsContact O-N 3.16Å; V481-L484 HydrophobicContact CB-CD1 4.45Å; V481-L484 HydrophobicContact CG2-CD1 4.11Å; V481-L484 WeakPolarHBondContact O-CB 3.29Å; V481-L484 PolarHBondContact O-N 2.9Å; L484-M489 HydrophobicContact CD2-CG 4.28Å; L484-M489 HydrophobicContact CD2-SD 3.49Å; L484-M489 WeakPolarHBondContact CD2-SD 3.37Å; L484-I613 HydrophobicContact CD2-CD1 4.41Å
485S78.3Confident80.1Confident23 Ų2344.8 Ų44.816%0.16123%0.229CC..  trans-145.4156.9168.771.90000108.3R483 P487 N488 M489R483-S485 PolarHBondContact O-N 3.39Å; S485-P487 WeakPolarHBondContact OG-CD 3.41Å; S485-P487 WeakPolarHBondContact OG-CG 3.46Å; S485-N488 PolarHBondContact O-N 2.93Å; S485-N488 VanDerWaalsContact O-N 3.17Å; S485-N488 VanDerWaalsContact OG-CB 3.31Å; S485-N488 WeakPolarHBondContact OG-CB 3.44Å; S485-N488 PolarHBondContact OG-N 2.66Å; S485-N488 PolarHBondContact OG-ND2 3.12Å; S485-N488 PolarHBondContact OG-OD1 3.36Å; S485-M489 WeakPolarHBondContact O-CB 3.33Å; S485-M489 VanDerWaalsContact O-CG 3.31Å; S485-M489 WeakPolarHBondContact O-CG 3.38Å; S485-M489 PolarHBondContact O-N 2.86Å
486I77.6Confident78.6Confident57 Ų5747 Ų4729%0.29224%0.24SC..Hα-helixtrans-50.4-52.1175.9-67.3164.1000112.1A372 N488 M489 E490 H572A372-I486 HydrophobicContact CB-CD1 4.29Å; I486-N488 VanDerWaalsContact C-N 3.32Å; I486-N488 PolarHBondContact O-N 3.01Å; I486-M489 PolarHBondContact O-N 3.41Å; I486-E490 WeakPolarHBondContact O-CG 3.49Å; I486-E490 PolarHBondContact O-N 3.46Å; I486-H572 WeakPolarHBondContact CD1-ND1 3.42Å
487P74.6Confident77.4Confident74 Ų7451.9 Ų51.948%0.48127%0.265SS..Hα-helixtrans-63.8-36.7-179.923.6-33.5000112.7S485 M489 E490 D491S485-P487 WeakPolarHBondContact OG-CD 3.41Å; S485-P487 WeakPolarHBondContact OG-CG 3.46Å; P487-M489 VanDerWaalsContact C-N 3.33Å; P487-M489 PolarHBondContact O-N 3.42Å; P487-E490 PolarHBondContact O-N 2.92Å; P487-D491 WeakPolarHBondContact O-CB 3.29Å; P487-D491 PolarHBondContact O-N 3.44Å
488N75.3Confident76.2Confident16 Ų1656.1 Ų56.19%0.08628%0.281CS..Hα-helixtrans-69.2-34.6178.3-66.81.1000111.8R483 S485 I486 L492 F610 R611 I613R483-N488 WeakPolarHBondContact O-CB 3.49Å; R483-N488 PolarHBondContact O-ND2 2.92Å; S485-N488 PolarHBondContact O-N 2.93Å; S485-N488 VanDerWaalsContact O-N 3.17Å; S485-N488 VanDerWaalsContact OG-CB 3.31Å; S485-N488 WeakPolarHBondContact OG-CB 3.44Å; S485-N488 PolarHBondContact OG-N 2.66Å; S485-N488 PolarHBondContact OG-ND2 3.12Å; S485-N488 PolarHBondContact OG-OD1 3.36Å; I486-N488 VanDerWaalsContact C-N 3.32Å; I486-N488 PolarHBondContact O-N 3.01Å; N488-L492 VanDerWaalsContact O-CB 3.22Å; N488-L492 WeakPolarHBondContact O-CB 3.47Å; N488-L492 PolarHBondContact O-N 2.72Å; N488-F610 PolarHBondContact ND2-O 2.78Å; N488-R611 VanDerWaalsContact ND2-C 3.3Å; N488-R611 PolarHBondContact ND2-O 3.45Å; N488-R611 PolarHBondContact OD1-O 3.38Å; N488-I613 HydrophobicContact CB-CD1 3.84Å; N488-I613 HydrophobicContact CB-CG1 3.98Å
489M74.1Confident75.1Confident89 Ų8953.3 Ų53.344%0.43827%0.269SS..Hα-helixtrans-69.7-37.6175.9-74.6-61.2-64.600111.9L484 S485 I486 P487 L492 K493 I613L484-M489 HydrophobicContact CD2-CG 4.28Å; L484-M489 HydrophobicContact CD2-SD 3.49Å; L484-M489 WeakPolarHBondContact CD2-SD 3.37Å; S485-M489 WeakPolarHBondContact O-CB 3.33Å; S485-M489 VanDerWaalsContact O-CG 3.31Å; S485-M489 WeakPolarHBondContact O-CG 3.38Å; S485-M489 PolarHBondContact O-N 2.86Å; I486-M489 PolarHBondContact O-N 3.41Å; P487-M489 VanDerWaalsContact C-N 3.33Å; P487-M489 PolarHBondContact O-N 3.42Å; M489-L492 PolarHBondContact O-N 2.8Å; M489-L492 HydrophobicContact SD-CD2 4.3Å; M489-K493 VanDerWaalsContact O-CB 3.28Å; M489-K493 WeakPolarHBondContact O-CB 3.44Å; M489-K493 PolarHBondContact O-N 2.82Å; M489-I613 HydrophobicContact SD-CD1 4.03Å
490E73.8Confident74.2Confident112 Ų11254.7 Ų54.752%0.52328%0.278SS..Hα-helixtrans-66.2-43.7173.4-71.6-178.6160.400112.1I486 P487 K493 S494I486-E490 WeakPolarHBondContact O-CG 3.49Å; I486-E490 PolarHBondContact O-N 3.46Å; P487-E490 PolarHBondContact O-N 2.92Å; E490-K493 PolarHBondContact O-N 3.44Å; E490-S494 WeakPolarHBondContact O-CB 3.49Å; E490-S494 PolarHBondContact O-N 3.29Å; E490-S494 PolarHBondContact O-OG 2.83Å
491D74.4Confident73.4Confident62 Ų6256.1 Ų56.133%0.33229%0.293SS..Hα-helixtrans-61.3-46.9173.2-179.941.8000110.7P487 K493 S494 R495P487-D491 WeakPolarHBondContact O-CB 3.29Å; P487-D491 PolarHBondContact O-N 3.44Å; D491-K493 PolarHBondContact O-N 3.42Å; D491-S494 PolarHBondContact O-N 3.46Å; D491-R495 WeakPolarHBondContact O-CB 3.5Å; D491-R495 VanDerWaalsContact O-CG 3.29Å; D491-R495 WeakPolarHBondContact O-CG 2.89Å; D491-R495 PolarHBondContact O-N 2.91Å; D491-R495 IonicContact OD1-CZ 2.65Å; D491-R495 IonicContact OD1-NE 3.95Å; D491-R495 PolarHBondContact OD1-NE 2.86Å; D491-R495 IonicContact OD1-NH2 2.98Å; D491-R495 PolarHBondContact OD1-NH2 3.21Å; D491-R495 IonicContact OD2-CZ 3.61Å; D491-R495 IonicContact OD2-NE 3.63Å; D491-R495 PolarHBondContact OD2-NE 3.42Å; D491-R495 IonicContact OD2-NH2 2.97Å; D491-R495 PolarHBondContact OD2-NH2 2.83Å
492L70.9Confident72.4Confident19 Ų1960.1 Ų60.110%0.09931%0.314CS..Hα-helixtrans-58.2-49.1176.3-172.870.9000111.4L224 N488 M489 S494 R495 I496 I613 I615L224-L492 HydrophobicContact CD1-CD1 3.51Å; L224-L492 HydrophobicContact CD1-CD2 4.44Å; L224-L492 HydrophobicContact CD1-CG 4.06Å; L224-L492 HydrophobicContact CD2-CD1 4.05Å; L224-L492 HydrophobicContact CG-CD1 4.43Å; N488-L492 VanDerWaalsContact O-CB 3.22Å; N488-L492 WeakPolarHBondContact O-CB 3.47Å; N488-L492 PolarHBondContact O-N 2.72Å; M489-L492 PolarHBondContact O-N 2.8Å; M489-L492 HydrophobicContact SD-CD2 4.3Å; L492-S494 VanDerWaalsContact C-N 3.32Å; L492-S494 PolarHBondContact O-N 2.74Å; L492-R495 PolarHBondContact O-N 2.63Å; L492-I496 HydrophobicContact CD2-CD1 4.4Å; L492-I496 HydrophobicContact CG-CD1 3.97Å; L492-I496 HydrophobicContact CG-CG1 4.42Å; L492-I496 WeakPolarHBondContact O-CG1 3.44Å; L492-I496 PolarHBondContact O-N 2.92Å; L492-I613 HydrophobicContact CB-CD1 4.15Å; L492-I613 HydrophobicContact CD1-CB 4.39Å; L492-I613 HydrophobicContact CD1-CG2 3.94Å; L492-I613 HydrophobicContact CD2-CD1 3.95Å; L492-I613 HydrophobicContact CD2-CG2 4.39Å; L492-I613 HydrophobicContact CG-CD1 4.5Å; L492-I615 HydrophobicContact CD1-CD1 4.14Å; L492-I615 HydrophobicContact CD1-CG1 3.99Å
493K71.1Confident71.3Confident135 Ų13561 Ų6159%0.58732%0.32SS*.Hα-helixtrans-57-47.1176.7175.9-173.6172.9-172.30110.9M489 E490 D491 R495 I496 L497M489-K493 VanDerWaalsContact O-CB 3.28Å; M489-K493 WeakPolarHBondContact O-CB 3.44Å; M489-K493 PolarHBondContact O-N 2.82Å; E490-K493 PolarHBondContact O-N 3.44Å; D491-K493 PolarHBondContact O-N 3.42Å; K493-R495 VanDerWaalsContact C-N 3.35Å; K493-R495 PolarHBondContact O-N 3.29Å; K493-I496 PolarHBondContact O-N 2.96Å; K493-L497 HydrophobicContact CG-CD1 4Å; K493-L497 HydrophobicContact CG-CG 4.49Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 VanDerWaalsContact O-CG 3.27Å; K493-L497 WeakPolarHBondContact O-CG 3.23Å; K493-L497 PolarHBondContact O-N 2.91Å
494S69.8Low70.6Confident59 Ų5964.9 Ų64.941%0.41334%0.342SS..Hα-helixtrans-63-42.6-179.4-60.30000111.4E490 D491 L492 L497 K498E490-S494 WeakPolarHBondContact O-CB 3.49Å; E490-S494 PolarHBondContact O-N 3.29Å; E490-S494 PolarHBondContact O-OG 2.83Å; D491-S494 PolarHBondContact O-N 3.46Å; L492-S494 VanDerWaalsContact C-N 3.32Å; L492-S494 PolarHBondContact O-N 2.74Å; S494-L497 PolarHBondContact O-N 3.47Å; S494-K498 WeakPolarHBondContact O-CG 3.3Å; S494-K498 PolarHBondContact O-N 2.86Å
495R66.1Low70.1Confident101 Ų10163.4 Ų63.438%0.38133%0.333SS..Hα-helixtrans-62.4-51.3173.1-68.7175.7-168.6-14711.3111.3L224 D491 L492 K493 L497 K498 I499L224-R495 HydrophobicContact CD2-CB 4.39Å; D491-R495 WeakPolarHBondContact O-CB 3.5Å; D491-R495 VanDerWaalsContact O-CG 3.29Å; D491-R495 WeakPolarHBondContact O-CG 2.89Å; D491-R495 PolarHBondContact O-N 2.91Å; D491-R495 IonicContact OD1-CZ 2.65Å; D491-R495 IonicContact OD1-NE 3.95Å; D491-R495 PolarHBondContact OD1-NE 2.86Å; D491-R495 IonicContact OD1-NH2 2.98Å; D491-R495 PolarHBondContact OD1-NH2 3.21Å; D491-R495 IonicContact OD2-CZ 3.61Å; D491-R495 IonicContact OD2-NE 3.63Å; D491-R495 PolarHBondContact OD2-NE 3.42Å; D491-R495 IonicContact OD2-NH2 2.97Å; D491-R495 PolarHBondContact OD2-NH2 2.83Å; L492-R495 PolarHBondContact O-N 2.63Å; K493-R495 VanDerWaalsContact C-N 3.35Å; K493-R495 PolarHBondContact O-N 3.29Å; R495-L497 VanDerWaalsContact C-N 3.26Å; R495-L497 PolarHBondContact O-N 3.42Å; R495-K498 PolarHBondContact O-N 3.49Å; R495-I499 HydrophobicContact CB-CD1 4.44Å; R495-I499 WeakPolarHBondContact O-CB 3.27Å; R495-I499 WeakPolarHBondContact O-CD1 3.48Å; R495-I499 WeakPolarHBondContact O-CG1 3.26Å; R495-I499 PolarHBondContact O-N 2.84Å
496I66.5Low69.7Low50 Ų5063.4 Ų63.426%0.25633%0.332SS..Hα-helixtrans-51.7-47.4176.1-67.2164.9000110.6L224 L492 K493 I499 V500L224-I496 HydrophobicContact CD1-CD1 3.66Å; L224-I496 HydrophobicContact CD1-CG1 3.39Å; L224-I496 HydrophobicContact CD2-CB 4.21Å; L224-I496 HydrophobicContact CD2-CD1 4.43Å; L224-I496 HydrophobicContact CD2-CG1 3.31Å; L224-I496 HydrophobicContact CG-CB 4.48Å; L224-I496 HydrophobicContact CG-CD1 4.21Å; L224-I496 HydrophobicContact CG-CG1 3.36Å; L492-I496 HydrophobicContact CD2-CD1 4.4Å; L492-I496 HydrophobicContact CG-CD1 3.97Å; L492-I496 HydrophobicContact CG-CG1 4.42Å; L492-I496 WeakPolarHBondContact O-CG1 3.44Å; L492-I496 PolarHBondContact O-N 2.92Å; K493-I496 PolarHBondContact O-N 2.96Å; I496-I499 WeakPolarHBondContact O-CB 3.48Å; I496-I499 PolarHBondContact O-N 3.39Å; I496-V500 HydrophobicContact CG2-CG2 4.02Å; I496-V500 WeakPolarHBondContact O-CB 3.31Å; I496-V500 VanDerWaalsContact O-CG2 3.24Å; I496-V500 WeakPolarHBondContact O-CG2 3.36Å; I496-V500 PolarHBondContact O-N 3.18Å
497L66.3Low69.6Low104 Ų10462 Ų6255%0.54532%0.324SS..Hα-helixtrans-65.6-43.3-176.9-72.1173.5000111.9K493 S494 R495 I499 V500 A501K493-L497 HydrophobicContact CG-CD1 4Å; K493-L497 HydrophobicContact CG-CG 4.49Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 VanDerWaalsContact O-CG 3.27Å; K493-L497 WeakPolarHBondContact O-CG 3.23Å; K493-L497 PolarHBondContact O-N 2.91Å; S494-L497 PolarHBondContact O-N 3.47Å; R495-L497 VanDerWaalsContact C-N 3.26Å; R495-L497 PolarHBondContact O-N 3.42Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.89Å; L497-V500 PolarHBondContact O-N 3.48Å; L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.22Å
498K64.6Low69.6Low99 Ų9961.9 Ų61.943%0.4331%0.314SS..Hα-helixtrans-60.6-43.3175-73.3177.7179.5-1730111.6S494 R495 A501 N502S494-K498 WeakPolarHBondContact O-CG 3.3Å; S494-K498 PolarHBondContact O-N 2.86Å; R495-K498 PolarHBondContact O-N 3.49Å; K498-A501 PolarHBondContact O-N 3.43Å; K498-N502 WeakPolarHBondContact O-CB 2.94Å; K498-N502 PolarHBondContact O-N 2.95Å; K498-N502 PolarHBondContact O-ND2 3.19Å
499I62.8Low69.3Low10 Ų1067.4 Ų67.45%0.05133%0.334CS..Hα-helixtrans-62.2-52.4177.7-71.1170.3000111.2T223 L224 S227 V228 R495 I496 L497 A501 N502 C503T223-I499 HydrophobicContact CG2-CG2 4.26Å; T223-I499 VanDerWaalsContact O-CG2 3.23Å; T223-I499 WeakPolarHBondContact O-CG2 3.33Å; L224-I499 HydrophobicContact CD2-CD1 3.55Å; S227-I499 VanDerWaalsContact CB-CG1 3.43Å; S227-I499 WeakPolarHBondContact OG-CA 3.5Å; S227-I499 VanDerWaalsContact OG-CB 3.24Å; S227-I499 WeakPolarHBondContact OG-CB 3.43Å; S227-I499 WeakPolarHBondContact OG-CG1 3.38Å; S227-I499 WeakPolarHBondContact OG-CG2 3.47Å; V228-I499 HydrophobicContact CG2-CD1 3.55Å; V228-I499 HydrophobicContact CG2-CG1 4.47Å; R495-I499 HydrophobicContact CB-CD1 4.44Å; R495-I499 WeakPolarHBondContact O-CB 3.27Å; R495-I499 WeakPolarHBondContact O-CD1 3.48Å; R495-I499 WeakPolarHBondContact O-CG1 3.26Å; R495-I499 PolarHBondContact O-N 2.84Å; I496-I499 WeakPolarHBondContact O-CB 3.48Å; I496-I499 PolarHBondContact O-N 3.39Å; L497-I499 VanDerWaalsContact C-N 3.32Å; L497-I499 PolarHBondContact O-N 2.89Å; I499-A501 VanDerWaalsContact C-N 3.27Å; I499-A501 PolarHBondContact O-N 3.41Å; I499-N502 CarbonylContact O-C 3.54Å; I499-N502 PolarHBondContact O-N 3.35Å; I499-N502 VanDerWaalsContact O-N 3.15Å; I499-C503 WeakPolarHBondContact O-CB 3.29Å; I499-C503 PolarHBondContact O-N 3.37Å
500V63.7Low69.1Low29 Ų2963.6 Ų63.618%0.17632%0.315CS..Hα-helixtrans-63.6-37.8-179.5169.30000110.4I85 T86 T223 I496 L497 N502I85-V500 HydrophobicContact CG2-CG1 3.68Å; T86-V500 HydrophobicContact CG2-CG1 3.85Å; T86-V500 WeakPolarHBondContact CG2-O 3.31Å; T223-V500 HydrophobicContact CG2-CG2 4Å; I496-V500 HydrophobicContact CG2-CG2 4.02Å; I496-V500 WeakPolarHBondContact O-CB 3.31Å; I496-V500 VanDerWaalsContact O-CG2 3.24Å; I496-V500 WeakPolarHBondContact O-CG2 3.36Å; I496-V500 PolarHBondContact O-N 3.18Å; L497-V500 PolarHBondContact O-N 3.48Å; V500-N502 VanDerWaalsContact C-N 3.35Å
501A67.4Low68.6Low57 Ų5759.7 Ų59.747%0.47130%0.298SS..Hα-helixtrans-60.8-41.9174.300000112.5L497 K498 I499L497-A501 WeakPolarHBondContact O-CB 3.48Å; L497-A501 PolarHBondContact O-N 3.22Å; K498-A501 PolarHBondContact O-N 3.43Å; I499-A501 VanDerWaalsContact C-N 3.27Å; I499-A501 PolarHBondContact O-N 3.41Å
502N66.6Low68.2Low102 Ų10261 Ų6155%0.54530%0.304SS..Hα-helixtrans-91.9-3.8-175.8-67.3-28.3000114.3K498 I499 V500 N504K498-N502 WeakPolarHBondContact O-CB 2.94Å; K498-N502 PolarHBondContact O-N 2.95Å; K498-N502 PolarHBondContact O-ND2 3.19Å; I499-N502 CarbonylContact O-C 3.54Å; I499-N502 PolarHBondContact O-N 3.35Å; I499-N502 VanDerWaalsContact O-N 3.15Å; V500-N502 VanDerWaalsContact C-N 3.35Å; N502-N504 PolarHBondContact O-N 3.05Å
503C67.6Low67.8Low21 Ų2163.4 Ų63.414%0.14232%0.315CS..  trans-70.5118.4-178.8-176.60000111.8I499I499-C503 WeakPolarHBondContact O-CB 3.29Å; I499-C503 PolarHBondContact O-N 3.37Å
504N70.5Confident67.1Low88 Ų8857.1 Ų57.147%0.47129%0.289SS..  trans-94.61.9178.468.2-11.4000113.7T84 N502T84-N504 WeakPolarHBondContact CG2-O 3.25Å; N502-N504 PolarHBondContact O-N 3.05Å
505K69.2Low66.4Low25 Ų2556.3 Ų56.311%0.10928%0.283CS..SBendtrans-96.9147.7-178.3-67.7-177.7-178.2173.10111.9I510K505-I510 HydrophobicContact CB-CD1 4.3Å; K505-I510 HydrophobicContact CB-CG1 4.28Å
506P71.6Confident65.8Low23 Ų2359.5 Ų59.515%0.14930%0.295CS..  trans-72.5145.3172.130-34.1000111A81 G83 Y508 R509A81-P506 WeakPolarHBondContact O-CB 3.23Å; G83-P506 WeakPolarHBondContact O-CB 3.24Å; P506-Y508 VanDerWaalsContact C-N 3.33Å; P506-Y508 HydrophobicContact CB-CD1 3.73Å; P506-Y508 HydrophobicContact CB-CE1 3.57Å; P506-Y508 HydrophobicContact CG-CD1 3.98Å; P506-Y508 HydrophobicContact CG-CE1 3.42Å; P506-Y508 VanDerWaalsContact CG-CE1 3.42Å; P506-Y508 PolarHBondContact O-N 2.93Å; P506-R509 HydrophobicContact CG-CB 4.03Å; P506-R509 PolarHBondContact O-N 3.3Å; P506-R509 VanDerWaalsContact O-N 3.12Å
507K75.4Confident65.2Low26 Ų2659.6 Ų59.611%0.11329%0.292CS..Hα-helixtrans-55.6-41.3-174.2-173179.7-179173.20113.6M1 D16 D17 I85 R509 I510 L511M1-K507 HydrophobicContact CE-CD 3.78Å; M1-K507 HydrophobicContact CE-CG 4.28Å; M1-K507 HydrophobicContact SD-CD 3.96Å; D16-K507 VanDerWaalsContact OD2-CB 3.23Å; D16-K507 WeakPolarHBondContact OD2-CB 3.33Å; D16-K507 VanDerWaalsContact OD2-CD 3.25Å; D16-K507 WeakPolarHBondContact OD2-CD 3.43Å; D17-K507 IonicContact OD1-NZ 2.7Å; D17-K507 PolarHBondContact OD1-NZ 3Å; I85-K507 HydrophobicContact CG1-CB 4.28Å; K507-R509 VanDerWaalsContact C-N 3.28Å; K507-R509 PolarHBondContact O-N 3.16Å; K507-I510 PolarHBondContact O-N 3.29Å; K507-L511 HydrophobicContact CD-CD1 4.46Å; K507-L511 HydrophobicContact CG-CD1 3.91Å; K507-L511 HydrophobicContact CG-CG 4.47Å; K507-L511 WeakPolarHBondContact O-CG 3.06Å; K507-L511 PolarHBondContact O-N 2.65Å
508Y73Confident64.3Low73 Ų7358.3 Ų58.329%0.28628%0.284SS..Hα-helixtrans-63.2-32.9-178.782.2-86.8000112.9V19 A81 P506 L511 L512V19-Y508 HydrophobicContact CG1-CG 4.09Å; A81-Y508 HydrophobicContact CB-CD1 3.9Å; A81-Y508 HydrophobicContact CB-CE1 3.69Å; A81-Y508 VanDerWaalsContact O-CE1 3.29Å; A81-Y508 WeakPolarHBondContact O-CE1 3.32Å; P506-Y508 VanDerWaalsContact C-N 3.33Å; P506-Y508 HydrophobicContact CB-CD1 3.73Å; P506-Y508 HydrophobicContact CB-CE1 3.57Å; P506-Y508 HydrophobicContact CG-CD1 3.98Å; P506-Y508 HydrophobicContact CG-CE1 3.42Å; P506-Y508 VanDerWaalsContact CG-CE1 3.42Å; P506-Y508 PolarHBondContact O-N 2.93Å; Y508-L511 PolarHBondContact O-N 3.32Å; Y508-L512 HydrophobicContact CD2-CD1 3.77Å; Y508-L512 HydrophobicContact CE2-CD1 4.22Å; Y508-L512 WeakPolarHBondContact O-CB 3.29Å; Y508-L512 VanDerWaalsContact O-CG 3.32Å; Y508-L512 WeakPolarHBondContact O-CG 3.48Å; Y508-L512 PolarHBondContact O-N 3.12Å
509R70.9Confident63.2Low131 Ų13159.9 Ų59.949%0.49430%0.296SS..Hα-helixtrans-69.9-38.4-179.6-170.2178.3-173.3-177.52.6111P506 K507 Q513P506-R509 HydrophobicContact CG-CB 4.03Å; P506-R509 PolarHBondContact O-N 3.3Å; P506-R509 VanDerWaalsContact O-N 3.12Å; K507-R509 VanDerWaalsContact C-N 3.28Å; K507-R509 PolarHBondContact O-N 3.16Å; R509-Q513 VanDerWaalsContact O-CG 3.3Å; R509-Q513 WeakPolarHBondContact O-CG 3.34Å; R509-Q513 PolarHBondContact O-N 3.26Å; R509-Q513 VanDerWaalsContact O-N 3.16Å
510I68.1Low62.4Low9 Ų966 Ų665%0.04632%0.322CS..Hα-helixtrans-65-46.5173.9-59.2167.5000109.4I85 K505 K507 L512 Q513 G514I85-I510 HydrophobicContact CD1-CD1 3.9Å; K505-I510 HydrophobicContact CB-CD1 4.3Å; K505-I510 HydrophobicContact CB-CG1 4.28Å; K507-I510 PolarHBondContact O-N 3.29Å; I510-L512 PolarHBondContact O-N 3.28Å; I510-Q513 PolarHBondContact O-N 3.29Å; I510-G514 PolarHBondContact O-N 3.5Å
511L64.2Low61.6Low30 Ų3067 Ų6716%0.15734%0.339CS..Hα-helixtrans-63.7-41.8179.6-73.9171.4000113.1F20 W219 K507 Y508 G514 C515F20-L511 HydrophobicContact CD2-CD1 4.18Å; F20-L511 HydrophobicContact CE2-CB 3.66Å; F20-L511 HydrophobicContact CE2-CD1 3.48Å; F20-L511 VanDerWaalsContact CE2-CD1 3.48Å; F20-L511 HydrophobicContact CE2-CG 4.2Å; F20-L511 HydrophobicContact CZ-CB 3.66Å; F20-L511 HydrophobicContact CZ-CD1 4.35Å; W219-L511 HydrophobicContact CB-CD2 4.48Å; W219-L511 HydrophobicContact CG-CD2 4.43Å; K507-L511 HydrophobicContact CD-CD1 4.46Å; K507-L511 HydrophobicContact CG-CD1 3.91Å; K507-L511 HydrophobicContact CG-CG 4.47Å; K507-L511 WeakPolarHBondContact O-CG 3.06Å; K507-L511 PolarHBondContact O-N 2.65Å; Y508-L511 PolarHBondContact O-N 3.32Å; L511-G514 PolarHBondContact O-N 3.49Å; L511-C515 PolarHBondContact O-N 3.03Å; L511-C515 PolarHBondContact O-SG 3.31Å; L511-C515 VanDerWaalsContact O-SG 3.37Å
512L66.6Low60.5Low90 Ų9066.4 Ų66.447%0.47134%0.338SS..Hα-helixtrans-65-38.5176.4-76.6173.4000112.2F20 Y508 I510 G514 C515 W516F20-L512 HydrophobicContact CE1-CD2 3.84Å; F20-L512 HydrophobicContact CE1-CG 4.16Å; F20-L512 HydrophobicContact CZ-CD2 4.23Å; F20-L512 HydrophobicContact CZ-CG 4.06Å; Y508-L512 HydrophobicContact CD2-CD1 3.77Å; Y508-L512 HydrophobicContact CE2-CD1 4.22Å; Y508-L512 WeakPolarHBondContact O-CB 3.29Å; Y508-L512 VanDerWaalsContact O-CG 3.32Å; Y508-L512 WeakPolarHBondContact O-CG 3.48Å; Y508-L512 PolarHBondContact O-N 3.12Å; I510-L512 PolarHBondContact O-N 3.28Å; L512-G514 VanDerWaalsContact C-N 3.3Å; L512-C515 PolarHBondContact O-N 3.11Å; L512-W516 WeakPolarHBondContact O-CB 3.34Å; L512-W516 PolarHBondContact O-N 3.47Å
513Q61.5Low59.4Low70 Ų7063.2 Ų63.233%0.32732%0.321SS..Hα-helixtrans-63.4-38.9173.4-75.1178.4-2600111.4R509 I510 W516 Y517R509-Q513 VanDerWaalsContact O-CG 3.3Å; R509-Q513 WeakPolarHBondContact O-CG 3.34Å; R509-Q513 PolarHBondContact O-N 3.26Å; R509-Q513 VanDerWaalsContact O-N 3.16Å; I510-Q513 PolarHBondContact O-N 3.29Å; Q513-W516 PolarHBondContact O-N 3.23Å; Q513-Y517 PolarHBondContact O-N 3.32Å; Q513-Y517 VanDerWaalsContact O-N 3.09Å
514G56.8Low58.4Low3 Ų364.2 Ų64.23%0.03133%0.327CS..Hα-helixtrans-62.4-49.5174.300000113.8I510 L511 L512 W516 Y517 E518I510-G514 PolarHBondContact O-N 3.5Å; L511-G514 PolarHBondContact O-N 3.49Å; L512-G514 VanDerWaalsContact C-N 3.3Å; G514-W516 VanDerWaalsContact C-N 3.32Å; G514-W516 PolarHBondContact O-N 3.27Å; G514-Y517 PolarHBondContact O-N 2.84Å; G514-E518 PolarHBondContact O-N 3.31Å
515C54.1Low57.1Low42 Ų4264.2 Ų64.228%0.28433%0.327SS..Hα-helixtrans-62.1-38.1176.4-67.40000112.5L511 L512 E518 L519L511-C515 PolarHBondContact O-N 3.03Å; L511-C515 PolarHBondContact O-SG 3.31Å; L511-C515 VanDerWaalsContact O-SG 3.37Å; L512-C515 PolarHBondContact O-N 3.11Å; C515-E518 PolarHBondContact O-N 2.93Å; C515-L519 WeakPolarHBondContact O-CB 3.42Å; C515-L519 WeakPolarHBondContact O-CG 3.35Å; C515-L519 PolarHBondContact O-N 3.46Å
516W55.2Low55.7Low167 Ų16766.7 Ų66.763%0.63334%0.342SS*.Hα-helixtrans-63-45.8177.2-173.7-87.1000111.6L512 Q513 G514 E518 L519 F520L512-W516 WeakPolarHBondContact O-CB 3.34Å; L512-W516 PolarHBondContact O-N 3.47Å; Q513-W516 PolarHBondContact O-N 3.23Å; G514-W516 VanDerWaalsContact C-N 3.32Å; G514-W516 PolarHBondContact O-N 3.27Å; W516-E518 VanDerWaalsContact C-N 3.35Å; W516-E518 PolarHBondContact O-N 2.87Å; W516-L519 PolarHBondContact O-N 3.47Å; W516-F520 AromaticContact CD2-CD2 3.71Å; W516-F520 HydrophobicContact CD2-CD2 3.71Å; W516-F520 HydrophobicContact CD2-CE2 4.12Å; W516-F520 AromaticContact CE2-CD2 3.85Å; W516-F520 AromaticContact CE3-CD2 3.89Å; W516-F520 HydrophobicContact CE3-CD2 3.89Å; W516-F520 AromaticContact CE3-CE2 3.79Å; W516-F520 HydrophobicContact CE3-CE2 3.79Å; W516-F520 HydrophobicContact CG-CD2 4.16Å; W516-F520 HydrophobicContact CH2-CD2 4.32Å; W516-F520 HydrophobicContact CH2-CE2 4.18Å; W516-F520 HydrophobicContact CZ2-CD2 4.16Å; W516-F520 HydrophobicContact CZ2-CE2 4.48Å; W516-F520 HydrophobicContact CZ3-CD2 4.19Å; W516-F520 AromaticContact CZ3-CE2 3.82Å; W516-F520 HydrophobicContact CZ3-CE2 3.82Å; W516-F520 WeakPolarHBondContact O-CD2 3.26Å; W516-F520 PolarHBondContact O-N 3.22Å
517Y54.1Low54.1Low53 Ų5372.7 Ų72.721%0.20837%0.366CS..Hα-helixtrans-60.6-42.7176-178.4-86000112.2Q513 G514 G521 G522 P524 P617Q513-Y517 PolarHBondContact O-N 3.32Å; Q513-Y517 VanDerWaalsContact O-N 3.09Å; G514-Y517 PolarHBondContact O-N 2.84Å; Y517-G521 VanDerWaalsContact O-CA 3.3Å; Y517-G521 WeakPolarHBondContact O-CA 3.44Å; Y517-G521 PolarHBondContact O-N 2.87Å; Y517-G522 VanDerWaalsContact CE2-C 3.41Å; Y517-G522 WeakPolarHBondContact CE2-O 3.33Å; Y517-G522 VanDerWaalsContact CZ-O 3.27Å; Y517-G522 PolarHBondContact OH-O 3.37Å; Y517-P524 WeakPolarHBondContact OH-CD 3.37Å; Y517-P617 HydrophobicContact CE1-CB 3.82Å; Y517-P617 HydrophobicContact CE1-CG 4.33Å
518E45.8Very low52Low77 Ų7776.7 Ų76.736%0.3640%0.395SS..Hα-helixtrans-64.9-38.6177.5-78.9-171.3-154.900113.6N218 G514 C515 W516N218-E518 PolarHBondContact ND2-OE1 3.49Å; G514-E518 PolarHBondContact O-N 3.31Å; C515-E518 PolarHBondContact O-N 2.93Å; W516-E518 VanDerWaalsContact C-N 3.35Å; W516-E518 PolarHBondContact O-N 2.87Å
519L43.1Very low50.3Low132 Ų13274.4 Ų74.469%0.69139%0.388SS*.Hα-helixtrans-82.5-33.1-175.1-74.4169.4000113.3C515 W516C515-L519 WeakPolarHBondContact O-CB 3.42Å; C515-L519 WeakPolarHBondContact O-CG 3.35Å; C515-L519 PolarHBondContact O-N 3.46Å; W516-L519 PolarHBondContact O-N 3.47Å
520F45.2Very low48.7Very low137 Ų13774.1 Ų74.160%0.60139%0.392SS*.Hα-helixtrans-117.5-9.2-170.4-61.4-72000114.3W516W516-F520 AromaticContact CD2-CD2 3.71Å; W516-F520 HydrophobicContact CD2-CD2 3.71Å; W516-F520 HydrophobicContact CD2-CE2 4.12Å; W516-F520 AromaticContact CE2-CD2 3.85Å; W516-F520 AromaticContact CE3-CD2 3.89Å; W516-F520 HydrophobicContact CE3-CD2 3.89Å; W516-F520 AromaticContact CE3-CE2 3.79Å; W516-F520 HydrophobicContact CE3-CE2 3.79Å; W516-F520 HydrophobicContact CG-CD2 4.16Å; W516-F520 HydrophobicContact CH2-CD2 4.32Å; W516-F520 HydrophobicContact CH2-CE2 4.18Å; W516-F520 HydrophobicContact CZ2-CD2 4.16Å; W516-F520 HydrophobicContact CZ2-CE2 4.48Å; W516-F520 HydrophobicContact CZ3-CD2 4.19Å; W516-F520 AromaticContact CZ3-CE2 3.82Å; W516-F520 HydrophobicContact CZ3-CE2 3.82Å; W516-F520 WeakPolarHBondContact O-CD2 3.26Å; W516-F520 PolarHBondContact O-N 3.22Å
521G45.9Very low47.2Very low52 Ų5275.6 Ų75.654%0.53640%0.4SS..  trans67.9155.9-173.100000112.7Y517Y517-G521 VanDerWaalsContact O-CA 3.3Å; Y517-G521 WeakPolarHBondContact O-CA 3.44Å; Y517-G521 PolarHBondContact O-N 2.87Å
522G45.1Very low45.9Very low43 Ų4379.6 Ų79.644%0.44342%0.421SS..  trans177.1173177.300000109.7Y517Y517-G522 VanDerWaalsContact CE2-C 3.41Å; Y517-G522 WeakPolarHBondContact CE2-O 3.33Å; Y517-G522 VanDerWaalsContact CZ-O 3.27Å; Y517-G522 PolarHBondContact OH-O 3.37Å
523D43.2Very low44.4Very low35 Ų3580 Ų8019%0.18743%0.432CS..  trans-94.5131163.4-166.1-36.9000108D525 D526 S590D523-D525 PolarHBondContact O-N 3.4Å; D523-D525 PolarHBondContact OD1-N 3.44Å; D523-D526 PolarHBondContact N-OD2 3.25Å; D523-D526 WeakPolarHBondContact O-CB 2.98Å; D523-D526 PolarHBondContact O-N 3.34Å; D523-S590 WeakPolarHBondContact OD2-CB 3.48Å
524P46.1Very low43.3Very low42 Ų4285.1 Ų85.127%0.27345%0.448SS..G310 helixtrans-55.1-15.217323-36.8000114.8K225 Y517 D526 P617K225-P524 HydrophobicContact CD-CB 3.92Å; K225-P524 HydrophobicContact CD-CG 4.29Å; Y517-P524 WeakPolarHBondContact OH-CD 3.37Å; P524-D526 VanDerWaalsContact C-N 3.32Å; P524-P617 HydrophobicContact CB-CG 4.06Å; P524-P617 HydrophobicContact CG-CG 4.15Å
525D43.4Very low42.4Very low88 Ų8894.5 Ų94.547%0.47148%0.482SS..G310 helixtrans-83.9-3.4177.2-61.1-8.2000113.4K225 D523 F527K225-D525 IonicContact NZ-OD1 2.63Å; K225-D525 PolarHBondContact NZ-OD1 3.36Å; D523-D525 PolarHBondContact O-N 3.4Å; D523-D525 PolarHBondContact OD1-N 3.44Å; D525-F527 VanDerWaalsContact C-N 3.31Å; D525-F527 PolarHBondContact O-N 2.83Å
526D40.3Very low41.6Very low77 Ų7798.2 Ų98.241%0.41250%0.495SS..G310 helixtrans-78.6-6.4-175.6-76.1-35.8000114.8D523 P524D523-D526 PolarHBondContact N-OD2 3.25Å; D523-D526 WeakPolarHBondContact O-CB 2.98Å; D523-D526 PolarHBondContact O-N 3.34Å; P524-D526 VanDerWaalsContact C-N 3.32Å
527F37.2Very low40.8Very low149 Ų14996.3 Ų96.365%0.65449%0.494SS*.SBendtrans-132108.1179.3-63.8-77.8000111.2D525 T529D525-F527 VanDerWaalsContact C-N 3.31Å; D525-F527 PolarHBondContact O-N 2.83Å; F527-T529 PolarHBondContact O-N 2.81Å
528P31.8Very low40Very low111 Ų111100.9 Ų100.972%0.72152%0.517SS*.  trans-59119.3176.923-30.5000108.1
529T38.4Very low39.7Very low25 Ų25101.1 Ų101.115%0.15352%0.52CS..  trans-78.2130.5167.8-50.20000106.2Q226 F527 M531 D532Q226-T529 HydrophobicContact CB-CG2 4.08Å; Q226-T529 HydrophobicContact CG-CG2 4.41Å; Q226-T529 WeakPolarHBondContact CG-OG1 3.19Å; Q226-T529 VanDerWaalsContact O-CB 3.31Å; Q226-T529 WeakPolarHBondContact O-CB 3.35Å; Q226-T529 WeakPolarHBondContact O-CG2 3.47Å; F527-T529 PolarHBondContact O-N 2.81Å; T529-M531 PolarHBondContact O-N 2.93Å; T529-D532 PolarHBondContact O-N 2.9Å
530E37.8Very low39.4Very low125 Ų12599.3 Ų99.358%0.58452%0.518SS*.THydrogen-bonded Turntrans-51.5-3.4177.9-81.4-172.3153.100115.2S533E530-S533 PolarHBondContact O-OG 3.03Å
531M35Very low38.9Very low40 Ų4099.2 Ų99.220%0.19752%0.52CS..THydrogen-bonded Turntrans-73.4-22.8168.1-81.1-161.145.600114.7S227 T529 S533 R534 L539S227-M531 VanDerWaalsContact CA-SD 3.57Å; S227-M531 VanDerWaalsContact CB-SD 3.6Å; S227-M531 WeakPolarHBondContact O-CE 3.38Å; S227-M531 WeakPolarHBondContact OG-CE 3.27Å; S227-M531 PolarHBondContact OG-SD 3.25Å; T529-M531 PolarHBondContact O-N 2.93Å; M531-S533 PolarHBondContact O-N 2.94Å; M531-R534 PolarHBondContact O-N 3.18Å; M531-L539 HydrophobicContact CE-CD1 4.12Å
532D38.2Very low38.5Very low114 Ų114101.3 Ų101.361%0.6152%0.524SS*.THydrogen-bonded Turntrans-67.4-14.2172.7-73.3-24.7000112.2T529T529-D532 PolarHBondContact O-N 2.9Å
533S34.6Very low38Very low99 Ų99105.7 Ų105.769%0.69254%0.537SS*.THydrogen-bonded Turntrans-92.7-10-178.1-12.10000113.8E530 M531E530-S533 PolarHBondContact O-OG 3.03Å; M531-S533 PolarHBondContact O-N 2.94Å
534R38.5Very low37.8Very low177 Ų177113.2 Ų113.267%0.66858%0.576SS**SBendtrans-105.9108.1177.1-70.5-171.4-174.6-172.21.4109.2M531 E536M531-R534 PolarHBondContact O-N 3.18Å; R534-E536 PolarHBondContact O-N 3.48Å
535R38.5Very low37.4Very low199 Ų199112.8 Ų112.875%0.75158%0.579SS**  trans-29.5121.1179.4-78.1179.4-174169.11.9113.2E537 Q538R535-E537 PolarHBondContact O-N 2.95Å; R535-Q538 PolarHBondContact O-N 2.98Å; R535-Q538 VanDerWaalsContact O-N 3.15Å
536E37.1Very low37.1Very low120 Ų120112.5 Ų112.556%0.56158%0.575SS**G310 helixtrans-47.6-23.1173.8-68.2169.5143.600113.7R534 Q538 L539R534-E536 PolarHBondContact O-N 3.48Å; E536-Q538 VanDerWaalsContact C-N 3.28Å; E536-Q538 PolarHBondContact O-N 3.36Å; E536-L539 PolarHBondContact O-N 3.01Å
537E37.6Very low36.8Very low128 Ų128117.3 Ų117.360%0.59860%0.595SS**G310 helixtrans-59.5-27.3176.5-77.7178.2146.100115R535 S540R535-E537 PolarHBondContact O-N 2.95Å; E537-S540 PolarHBondContact O-OG 3.35Å
538Q37.3Very low36.5Very low148 Ų148114.5 Ų114.569%0.69259%0.594SS**G310 helixtrans-84.4-16.7179.5-73.9-173.1-26.300113.7R535 E536R535-Q538 PolarHBondContact O-N 2.98Å; R535-Q538 VanDerWaalsContact O-N 3.15Å; E536-Q538 VanDerWaalsContact C-N 3.28Å; E536-Q538 PolarHBondContact O-N 3.36Å
539L39.3Very low36.7Very low83 Ų83115.6 Ų115.644%0.43559%0.593SS.*THydrogen-bonded Turntrans-88.2-19.5179-80.2151.3000112.7M531 E536M531-L539 HydrophobicContact CE-CD1 4.12Å; E536-L539 PolarHBondContact O-N 3.01Å
540S38.2Very low36.6Very low93 Ų93119.6 Ų119.665%0.6562%0.617SS**SBendtrans-91.3-9.4177.452.60000114.4E537E537-S540 PolarHBondContact O-OG 3.35Å
541Q34.1Very low36.4Very low135 Ų135120.4 Ų120.463%0.63162%0.624SS**SBendtrans-87129.2177.1-72.4-175.90.400110.6L543Q541-L543 PolarHBondContact O-N 2.73Å
542P36.2Very low36.1Very low97 Ų97129 Ų12963%0.6365%0.654SS**PPolyproline II helixtrans-61132.2165.525.8-30.3000108.1L544 E546P542-L544 PolarHBondContact O-N 3.46Å; P542-E546 WeakPolarHBondContact CA-OE2 3.45Å; P542-E546 WeakPolarHBondContact CB-OE2 3.34Å
543L35.1Very low35.7Very low135 Ų135131.8 Ų131.871%0.70766%0.663SS**PPolyproline II helixtrans-65.4136178.6-71.4167000108Q541 G545 E546Q541-L543 PolarHBondContact O-N 2.73Å; L543-G545 PolarHBondContact O-N 3.18Å; L543-E546 PolarHBondContact O-N 2.86Å
544L39.9Very low35.3Very low193 Ų193132.2 Ų132.2100%1.0167%0.667SS**THydrogen-bonded Turntrans-57.57179.2-81.8161.7000115.4P542P542-L544 PolarHBondContact O-N 3.46Å
545G37.5Very low34.7Very low33 Ų33127.8 Ų127.834%0.3466%0.663SS.*THydrogen-bonded Turntrans-116.81.3171.300000114.9L543 S548L543-G545 PolarHBondContact O-N 3.18Å; G545-S548 PolarHBondContact O-OG 2.63Å
546E37.2Very low34.3Very low82 Ų82123 Ų12338%0.38366%0.66SS.*Hα-helixtrans-70.4-30.6177.2-91.8-178.6152.800112.4P542 L543 S548 L549 V550P542-E546 WeakPolarHBondContact CA-OE2 3.45Å; P542-E546 WeakPolarHBondContact CB-OE2 3.34Å; L543-E546 PolarHBondContact O-N 2.86Å; E546-S548 PolarHBondContact O-N 3.09Å; E546-L549 PolarHBondContact O-N 3.24Å; E546-L549 VanDerWaalsContact O-N 3.15Å; E546-V550 WeakPolarHBondContact O-CG2 3.36Å; E546-V550 PolarHBondContact O-N 3.42Å
547E33.6Very low34.1Very low177 Ų177128 Ų12883%0.82768%0.675SS**Hα-helixtrans-63.1-25.6177.9-76.4-171.4158.100113.6
548S31.7Very low33.6Very low91 Ų91129.4 Ų129.464%0.63668%0.681SS**Hα-helixtrans-92.1-12.8178.640.20000113.9G545 E546G545-S548 PolarHBondContact O-OG 2.63Å; E546-S548 PolarHBondContact O-N 3.09Å
549L35.3Very low33.1Very low134 Ų134127 Ų12770%0.70268%0.681SS**Hα-helixtrans-101.9-20176.6-69.9174.3000113.5E546 I551 R552E546-L549 PolarHBondContact O-N 3.24Å; E546-L549 VanDerWaalsContact O-N 3.15Å; L549-I551 PolarHBondContact O-N 2.9Å; L549-R552 PolarHBondContact O-N 3.49Å
550V35.7Very low32.7Very low108 Ų108131.2 Ų131.266%0.65570%0.703SS**THydrogen-bonded Turntrans-66.9-14.6173.2171.20000112.4E546E546-V550 WeakPolarHBondContact O-CG2 3.36Å; E546-V550 PolarHBondContact O-N 3.42Å
551I34.2Very low32.3Very low142 Ų142131 Ų13173%0.72871%0.707SS**THydrogen-bonded Turntrans-87.9-5.1178.2-59.8177.9000113.3L549L549-I551 PolarHBondContact O-N 2.9Å
552R28.7Very low32.2Very low220 Ų220129.5 Ų129.583%0.8371%0.712SS**  trans-110.183.8168.5-78.1-171-172.3-178.73.6110.6L549 S554L549-R552 PolarHBondContact O-N 3.49Å; R552-S554 PolarHBondContact O-N 3.05Å
553H29.2Very low32Very low173 Ų173132.2 Ų132.280%0.80172%0.721SS**  trans-41.8114.5153.2-83.3-86.2000108.6S555H553-S555 PolarHBondContact O-N 3.46Å
554S25.6Very low31.9Very low109 Ų109133.1 Ų133.176%0.76273%0.726SS**  trans-62.2106.6177.543.60000109.4R552 S556R552-S554 PolarHBondContact O-N 3.05Å; S554-S556 PolarHBondContact O-N 3.3Å
555S26.8Very low31.5Very low84 Ų84129.4 Ų129.459%0.58772%0.716SS**THydrogen-bonded Turntrans-70.518-177.750.10000115.2H553H553-S555 PolarHBondContact O-N 3.46Å
556S29.4Very low31.5Very low99 Ų99133.7 Ų133.769%0.69274%0.738SS**THydrogen-bonded Turntrans-94.45.3-174.7-67.10000115.7S554S554-S556 PolarHBondContact O-N 3.3Å
557Y33.2Very low31.2Very low225 Ų225134.4 Ų134.488%0.88276%0.759SS**SBendtrans-114.8-4.9166.7-89.7-89.2000113.5
558Q27.7Very low31.2Very low156 Ų156134.3 Ų134.373%0.72976%0.757SS**G310 helixtrans-83.4-8.6178.8-105167.4-16.900113.9L560Q558-L560 PolarHBondContact O-N 3.24Å
559S27.4Very low31.1Very low99 Ų99135.2 Ų135.269%0.69276%0.762SS**G310 helixtrans-90.213.4-175.948.10000115.2
560L29.8Very low31.3Very low171 Ų171134.3 Ų134.390%0.89576%0.761SS**G310 helixtrans-122.75.7172.8-90.3156.8000113.7Q558Q558-L560 PolarHBondContact O-N 3.24Å
561A30.7Very low31.5Very low88 Ų88135.1 Ų135.173%0.72777%0.766SS**  trans-119.375.6173.600000109.3
562S30.9Very low32.6Very low104 Ų104133.3 Ų133.373%0.72775%0.754SS**  trans-112.491.8160.756.70000107.7
563D32Very low34.4Very low154 Ų154126.4 Ų126.482%0.82473%0.732SS**SBend-173.9120.5128-95.7-11.4000110.4
564D34.2Very low36.8Very low153 Ų153121.9 Ų121.982%0.81872%0.718SS**  trans23.997.6160.7-68.2-21.2000120.3
565S31.1Very low39.8Very low115 Ų115118.1 Ų118.180%0.80469%0.689SS**  trans-171.5152.2136.3-83.70000111.6A567S565-A567 PolarHBondContact O-N 3.34Å; S565-A567 VanDerWaalsContact O-N 3.16Å
566P37.3Very low42.8Very low123 Ų123115.1 Ų115.180%0.79967%0.666SS**  trans-68.8115.5-174.3-4.719.6000110.4H568P566-H568 PolarHBondContact O-N 3.21Å
567A31.4Very low45.9Very low98 Ų98110.8 Ų110.881%0.8164%0.635SS**  trans-66.1115.2-176.300000111.9S565S565-A567 PolarHBondContact O-N 3.34Å; S565-A567 VanDerWaalsContact O-N 3.16Å
568H32.3Very low48.8Very low174 Ų174100.1 Ų100.181%0.80659%0.593SS**  trans-67.1136.1156.8-74.1-74.8000108.9P566 V570P566-H568 PolarHBondContact O-N 3.21Å; H568-V570 PolarHBondContact O-N 3.02Å
569P31.2Very low52Low111 Ų11192.7 Ų92.772%0.72156%0.559SS**  trans-60126.4173.224.6-31000108.7V571P569-V571 VanDerWaalsContact C-N 3.31Å; P569-V571 PolarHBondContact O-N 3.41Å
570V38.2Very low55.2Low115 Ų11591.4 Ų91.470%0.69754%0.542SS*.  trans-66.991.3178.4-178.30000108.2H568 H572H568-V570 PolarHBondContact O-N 3.02Å; V570-H572 PolarHBondContact O-N 3.39Å; V570-H572 VanDerWaalsContact O-N 3.13Å
571V39.3Very low58.3Low125 Ų12583.4 Ų83.476%0.75850%0.5SS*.  trans-72.199.9168178.80000106.2P569 M573P569-V571 VanDerWaalsContact C-N 3.31Å; P569-V571 PolarHBondContact O-N 3.41Å; V571-M573 PolarHBondContact O-N 2.9Å
572H57.3Low61.4Low104 Ų10479.2 Ų79.248%0.48147%0.465SS..  trans-63.2106.7174.1-78.3-62.2000109.3I486 V570I486-H572 WeakPolarHBondContact CD1-ND1 3.42Å; V570-H572 PolarHBondContact O-N 3.39Å; V570-H572 VanDerWaalsContact O-N 3.13Å
573M67.1Low64.5Low74 Ų7476.5 Ų76.537%0.36544%0.439SS..PPolyproline II helixtrans-74.4132.7179-155.5165.3-164.500109.4P385 Y387 V571 L575P385-M573 HydrophobicContact CB-CE 3.58Å; P385-M573 HydrophobicContact CB-SD 4.47Å; P385-M573 HydrophobicContact CG-CE 3.37Å; Y387-M573 HydrophobicContact CD2-CE 4.19Å; Y387-M573 HydrophobicContact CD2-SD 3.34Å; Y387-M573 WeakPolarHBondContact CD2-SD 3.34Å; Y387-M573 HydrophobicContact CE2-CE 4.15Å; Y387-M573 HydrophobicContact CE2-SD 3.52Å; Y387-M573 VanDerWaalsContact CE2-SD 3.52Å; Y387-M573 HydrophobicContact CG-SD 4.38Å; V571-M573 PolarHBondContact O-N 2.9Å; M573-L575 PolarHBondContact O-N 2.95Å
574P80.3Confident67.4Low78 Ų7869.1 Ų69.151%0.50640%0.4SS..PPolyproline II helixtrans-68.4121.2179.427.3-33.1000109.9Y576P574-Y576 HydrophobicContact CB-CE2 4.16Å; P574-Y576 HydrophobicContact CG-CE2 4.44Å; P574-Y576 VanDerWaalsContact O-CE2 3.31Å; P574-Y576 WeakPolarHBondContact O-CE2 3.46Å
575L87.6Confident70.1Confident30 Ų3063.7 Ų63.716%0.15737%0.372CS..PPolyproline II helixtrans-100.8157.7172.4-62.5179.4000110.5G456 G457 L459 M573G456-L575 CarbonylContact O-C 3.52Å; G457-L575 WeakPolarHBondContact O-CD1 3.48Å; L459-L575 VanDerWaalsContact C-CD2 3.49Å; L459-L575 CarbonylContact O-C 3.59Å; L459-L575 VanDerWaalsContact O-CA 3.26Å; L459-L575 WeakPolarHBondContact O-CA 3.28Å; M573-L575 PolarHBondContact O-N 2.95Å
576Y91.2Very high72.5Confident22 Ų2261 Ų619%0.08635%0.347CS..BIsolated β-bridgetrans-134.4153.6-171-61.7-85.9000111.3G456 L458 L459 Q461 P574 E607 R611G456-Y576 CarbonylContact O-C 3.54Å; G456-Y576 WeakPolarHBondContact O-CA 3.41Å; G456-Y576 PolarHBondContact O-N 3.19Å; L458-Y576 PolarHBondContact N-O 2.96Å; L459-Y576 PolarHBondContact N-O 3.17Å; L459-Y576 PolarHBondContact O-N 3.15Å; Q461-Y576 HydrophobicContact CB-CD2 4.04Å; Q461-Y576 HydrophobicContact CB-CE2 3.76Å; Q461-Y576 HydrophobicContact CG-CE2 4.44Å; P574-Y576 HydrophobicContact CB-CE2 4.16Å; P574-Y576 HydrophobicContact CG-CE2 4.44Å; P574-Y576 VanDerWaalsContact O-CE2 3.31Å; P574-Y576 WeakPolarHBondContact O-CE2 3.46Å; Y576-E607 HydrophobicContact CD1-CB 3.94Å; Y576-E607 HydrophobicContact CD1-CG 4.41Å; Y576-R611 PolarHBondContact OH-NH2 3.15Å
577P93.3Very high74Confident8 Ų859.5 Ų59.55%0.05233%0.332CS..  trans-63.4151.4169.627.7-35.3000110.7G456 I581 E607G456-P577 WeakPolarHBondContact O-CD 3.46Å; G456-P577 VanDerWaalsContact O-N 3.13Å; P577-I581 HydrophobicContact CB-CD1 4.33Å; P577-I581 HydrophobicContact CG-CD1 3.67Å; P577-E607 HydrophobicContact CG-CB 4.18Å; P577-E607 HydrophobicContact CG-CG 4.34Å
578P95.5Very high75.2Confident0 Ų057 Ų570%032%0.316CS..  trans-77.3160.6178.634-35.8000111.9A434 P454 L458 L459 V471 S473A434-P578 HydrophobicContact CB-CB 3.7Å; A434-P578 HydrophobicContact CB-CG 3.64Å; P454-P578 HydrophobicContact CB-CG 3.89Å; P454-P578 HydrophobicContact CG-CG 4.09Å; L458-P578 HydrophobicContact CD2-CB 4.02Å; L458-P578 HydrophobicContact CD2-CG 3.58Å; L459-P578 HydrophobicContact CD1-CB 3.7Å; L459-P578 HydrophobicContact CG-CB 4.46Å; V471-P578 HydrophobicContact CG1-CB 4.25Å; V471-P578 HydrophobicContact CG1-CG 4.5Å; S473-P578 VanDerWaalsContact CB-O 3.31Å; S473-P578 WeakPolarHBondContact CB-O 3.42Å; S473-P578 PolarHBondContact OG-O 3.1Å
579G94.6Very high75.9Confident1 Ų153.3 Ų53.31%0.0131%0.307CS..SBendtrans73.8-177.2162.100000116.5S467 V471S467-G579 PolarHBondContact OG-N 3.04Å; V471-G579 CarbonylContact O-C 3.5Å; V471-G579 WeakPolarHBondContact O-CA 3.24Å
580H94.4Very high76.6Confident71 Ų7152 Ų5233%0.32930%0.301SS..EExtended strand (participates in β ladder)trans-83123.4171.4-159.6-103.7000109V471 S473 W604V471-H580 PolarHBondContact O-N 3.25Å; S473-H580 PolarHBondContact N-O 2.81Å; H580-W604 HydrophobicContact CB-CZ3 4.27Å; H580-W604 AromaticContact CE1-CD2 3.3Å; H580-W604 AromaticContact CE1-CE2 3.97Å; H580-W604 AromaticContact CE1-CE3 3.33Å; H580-W604 AromaticContact CE1-CG 3.54Å; H580-W604 AromaticContact CE1-CZ3 3.96Å; H580-W604 AromaticContact ND1-CD2 3.3Å; H580-W604 VanDerWaalsContact ND1-CD2 3.3Å; H580-W604 AromaticContact ND1-CE2 3.89Å; H580-W604 AromaticContact ND1-CE3 2.85Å; H580-W604 AromaticContact ND1-CH2 3.68Å; H580-W604 AromaticContact ND1-CZ3 3.06Å; H580-W604 WeakPolarHBondContact ND1-CZ3 3.11Å
581I95.5Very high76.8Confident3 Ų356.1 Ų56.12%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-94.9114-165.2-51.2170.6000111S473 V475 P577 S605 E607 F610S473-I581 CarbonylContact O-C 3.46Å; S473-I581 VanDerWaalsContact O-CA 3.32Å; S473-I581 WeakPolarHBondContact O-CA 3.39Å; V475-I581 HydrophobicContact CG2-CG2 3.99Å; P577-I581 HydrophobicContact CB-CD1 4.33Å; P577-I581 HydrophobicContact CG-CD1 3.67Å; I581-S605 PolarHBondContact O-N 3.19Å; I581-E607 HydrophobicContact CD1-CB 4.43Å; I581-E607 HydrophobicContact CD1-CG 4.21Å; I581-F610 HydrophobicContact CB-CE2 4.37Å; I581-F610 HydrophobicContact CD1-CD2 3.96Å; I581-F610 HydrophobicContact CD1-CE2 3.77Å; I581-F610 HydrophobicContact CG2-CE2 3.64Å; I581-F610 HydrophobicContact CG2-CZ 3.79Å
582L95.5Very high77.4Confident0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-85.3109.1168.4-17562.9000109.5L255 L259 S473 V474 V475 A602 W604L255-L582 HydrophobicContact CD1-CD1 3.41Å; L255-L582 VanDerWaalsContact CD1-CD1 3.41Å; L259-L582 HydrophobicContact CD2-CD2 3.74Å; L259-L582 HydrophobicContact CG-CD2 4.26Å; S473-L582 PolarHBondContact O-N 3.07Å; V474-L582 WeakPolarHBondContact CA-O 3.35Å; V474-L582 HydrophobicContact CG2-CB 4.35Å; V474-L582 HydrophobicContact CG2-CD2 4.2Å; V475-L582 PolarHBondContact N-O 2.96Å; L582-A602 HydrophobicContact CD1-CB 4.06Å; L582-W604 HydrophobicContact CB-CE3 4.11Å; L582-W604 HydrophobicContact CB-CZ3 3.82Å; L582-W604 HydrophobicContact CD1-CD2 4.42Å; L582-W604 HydrophobicContact CD1-CE3 4.22Å; L582-W604 HydrophobicContact CD1-CZ3 4.35Å
583Y95.2Very high76.9Confident47 Ų4753.3 Ų53.318%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-102.8117.3-177.6-177.2-136.2000111V475 G477 T585 A602 D603 F610V475-Y583 HydrophobicContact CB-CD2 4.27Å; V475-Y583 HydrophobicContact CG1-CD2 4.25Å; V475-Y583 HydrophobicContact CG1-CE2 4.44Å; V475-Y583 WeakPolarHBondContact O-CD2 3.44Å; G477-Y583 VanDerWaalsContact O-CE2 3.29Å; G477-Y583 WeakPolarHBondContact O-CE2 3.26Å; G477-Y583 PolarHBondContact O-OH 3.28Å; G477-Y583 VanDerWaalsContact O-OH 3.08Å; Y583-T585 HydrophobicContact CD1-CG2 3.79Å; Y583-T585 HydrophobicContact CE1-CG2 3.26Å; Y583-T585 HydrophobicContact CE2-CG2 4.11Å; Y583-T585 HydrophobicContact CG-CG2 4.41Å; Y583-T585 VanDerWaalsContact CZ-CG2 3.44Å; Y583-A602 WeakPolarHBondContact O-CA 3.17Å; Y583-D603 PolarHBondContact N-O 3.5Å; Y583-D603 PolarHBondContact O-N 3.37Å; Y583-F610 HydrophobicContact CD2-CE1 4.06Å; Y583-F610 AromaticContact CD2-CZ 3.93Å; Y583-F610 HydrophobicContact CD2-CZ 3.93Å; Y583-F610 HydrophobicContact CE2-CE1 4.2Å; Y583-F610 HydrophobicContact CE2-CZ 4.48Å; Y583-F610 HydrophobicContact CG-CZ 4.18Å
584I93.6Very high75.7Confident0 Ų055.6 Ų55.60%031%0.31CS..EExtended strand (participates in β ladder)trans-99.2126179.9-56.8171.9000108.8V474 V475 L476 G477 Y600 R601 A602 A631 L632 L635V474-I584 HydrophobicContact CG1-CD1 3.72Å; V474-I584 HydrophobicContact CG1-CG1 4.43Å; V475-I584 PolarHBondContact O-N 3.02Å; L476-I584 HydrophobicContact CD1-CB 3.93Å; L476-I584 HydrophobicContact CD1-CG2 3.67Å; G477-I584 PolarHBondContact N-O 3.01Å; I584-Y600 HydrophobicContact CG2-CD1 3.9Å; I584-Y600 HydrophobicContact CG2-CG 4.34Å; I584-R601 CarbonylContact C-O 3.56Å; I584-R601 WeakPolarHBondContact CA-O 3.36Å; I584-A602 HydrophobicContact CG1-CB 4.15Å; I584-A631 HydrophobicContact CG2-CB 4.22Å; I584-L632 HydrophobicContact CD1-CD2 3.62Å; I584-L632 HydrophobicContact CD1-CG 3.97Å; I584-L635 HydrophobicContact CD1-CD1 3.97Å; I584-L635 HydrophobicContact CG1-CD1 4.05Å; I584-L635 HydrophobicContact CG2-CD1 3.85Å
585T89.6Confident74Confident38 Ų3860.8 Ų60.823%0.23333%0.325CS..EExtended strand (participates in β ladder)trans-121.6153176.855.20000110.5Y583 Y600 R601Y583-T585 HydrophobicContact CD1-CG2 3.79Å; Y583-T585 HydrophobicContact CE1-CG2 3.26Å; Y583-T585 HydrophobicContact CE2-CG2 4.11Å; Y583-T585 HydrophobicContact CG-CG2 4.41Å; Y583-T585 VanDerWaalsContact CZ-CG2 3.44Å; T585-Y600 CarbonylContact O-C 3.58Å; T585-Y600 WeakPolarHBondContact O-CA 3.38Å; T585-R601 PolarHBondContact N-O 3.48Å; T585-R601 PolarHBondContact O-N 2.99Å; T585-R601 PolarHBondContact OG1-O 3.43Å
586E83.1Confident72.4Confident60 Ų6062 Ų6228%0.2834%0.336SS..EExtended strand (participates in β ladder)trans-79.1129.7171.9-73.5-174.1-15100110.1R592 V598 R599 Y600 R618E586-R592 IonicContact OE2-CZ 2.79Å; E586-R592 IonicContact OE2-NH1 2.75Å; E586-R592 PolarHBondContact OE2-NH1 2.71Å; E586-V598 HydrophobicContact CB-CG1 4.36Å; E586-V598 VanDerWaalsContact CD-CG1 3.46Å; E586-V598 HydrophobicContact CG-CG1 3.64Å; E586-V598 WeakPolarHBondContact OE2-CG1 3.45Å; E586-R599 CarbonylContact C-O 3.53Å; E586-R599 WeakPolarHBondContact CA-O 3.46Å; E586-Y600 HydrophobicContact CG-CD1 3.8Å; E586-Y600 HydrophobicContact CG-CE1 3.46Å; E586-Y600 VanDerWaalsContact CG-CE1 3.46Å; E586-R618 IonicContact OE1-CZ 3.75Å; E586-R618 IonicContact OE1-NH1 2.69Å; E586-R618 PolarHBondContact OE1-NH1 2.83Å; E586-R618 IonicContact OE2-CZ 3.66Å; E586-R618 IonicContact OE2-NH1 2.74Å; E586-R618 PolarHBondContact OE2-NH1 3.01Å
587D67.6Low70.8Confident90 Ų9069.3 Ų69.348%0.48137%0.371SS..EExtended strand (participates in β ladder)trans-96.9132.9173.9-166.523.8000110.2R592 R599 R601D587-R592 PolarHBondContact O-NH2 2.9Å; D587-R599 HydrophobicContact CB-CB 4.19Å; D587-R599 PolarHBondContact N-O 2.95Å; D587-R601 HydrophobicContact CB-CB 4.42Å
588G56.6Low69.6Low46 Ų4671.1 Ų71.147%0.47438%0.382SS..SBendtrans129.9164.7177.800000115.3
589P47.8Very low68.7Low96 Ų9679.3 Ų79.362%0.62341%0.413SS*.  trans-64.5144.5-17926.7-33.1000111.1R591P589-R591 PolarHBondContact O-N 3.37Å; P589-R591 VanDerWaalsContact O-N 3.1Å
590S45.8Very low68.3Low83 Ų8381.4 Ų81.458%0.5842%0.421SS*.SBendtrans-52.7-29.4174.625.40000113D523D523-S590 WeakPolarHBondContact OD2-CB 3.48Å
591R42.5Very low68.1Low203 Ų20384.6 Ų84.677%0.76643%0.43SS*.  trans-87.9113176.5-70.6-178.2173.1174.4-0.9112P589P589-R591 PolarHBondContact O-N 3.37Å; P589-R591 VanDerWaalsContact O-N 3.1Å
592R51.7Low67.8Low84 Ų8484.9 Ų84.932%0.31743%0.433SS..  trans-122.1139.5174.2-75.1-176.1179.51530.7112E586 D587 S596 V598E586-R592 IonicContact OE2-CZ 2.79Å; E586-R592 IonicContact OE2-NH1 2.75Å; E586-R592 PolarHBondContact OE2-NH1 2.71Å; D587-R592 PolarHBondContact O-NH2 2.9Å; R592-S596 VanDerWaalsContact CB-OG 3.29Å; R592-S596 WeakPolarHBondContact CB-OG 3.39Å; R592-S596 WeakPolarHBondContact CD-OG 3.29Å; R592-S596 VanDerWaalsContact CG-OG 3.26Å; R592-S596 WeakPolarHBondContact CG-OG 3.2Å; R592-V598 VanDerWaalsContact NH1-CG2 3.33Å
593S46.5Very low67.6Low85 Ų8587.7 Ų87.759%0.59445%0.448SS*.  trans-73152.4163.9177.50000109.1F595 S596S593-F595 PolarHBondContact O-N 2.89Å; S593-S596 PolarHBondContact O-N 3.44Å; S593-S596 VanDerWaalsContact O-N 3.09Å; S593-S596 PolarHBondContact O-OG 3.3Å
594C41.1Very low67.5Low122 Ų12288.4 Ų88.482%0.82445%0.45SS*.THydrogen-bonded Turntrans-52.3-15.1-177.9-166.80000114.4
595F45.1Very low67.3Low188 Ų18889.9 Ų89.983%0.82546%0.461SS*.THydrogen-bonded Turntrans-113.23.9-174.7-56.2-77.1000115.3S593S593-F595 PolarHBondContact O-N 2.89Å
596S54.2Low67.3Low55 Ų5591 Ų9139%0.38547%0.469SS..PPolyproline II helixtrans-84.4130.5180700000112.1R592 S593R592-S596 VanDerWaalsContact CB-OG 3.29Å; R592-S596 WeakPolarHBondContact CB-OG 3.39Å; R592-S596 WeakPolarHBondContact CD-OG 3.29Å; R592-S596 VanDerWaalsContact CG-OG 3.26Å; R592-S596 WeakPolarHBondContact CG-OG 3.2Å; S593-S596 PolarHBondContact O-N 3.44Å; S593-S596 VanDerWaalsContact O-N 3.09Å; S593-S596 PolarHBondContact O-OG 3.3Å
597Q58.2Low67.3Low176 Ų17689.7 Ų89.782%0.82246%0.463SS*.PPolyproline II helixtrans-64.3137.2172.1-77.2174.8-29.700111.4
598V67.4Low68Low46 Ų4689.1 Ų89.128%0.27946%0.463SS..PPolyproline II helixtrans-73.2123.9173.2179.20000107.5E586 R592 Y600E586-V598 HydrophobicContact CB-CG1 4.36Å; E586-V598 VanDerWaalsContact CD-CG1 3.46Å; E586-V598 HydrophobicContact CG-CG1 3.64Å; E586-V598 WeakPolarHBondContact OE2-CG1 3.45Å; R592-V598 VanDerWaalsContact NH1-CG2 3.33Å; V598-Y600 HydrophobicContact CB-CE2 4.13Å; V598-Y600 HydrophobicContact CG1-CD1 4.45Å; V598-Y600 HydrophobicContact CG1-CD2 4.23Å; V598-Y600 HydrophobicContact CG1-CE1 3.89Å; V598-Y600 HydrophobicContact CG1-CE2 3.64Å; V598-Y600 VanDerWaalsContact CG1-CZ 3.44Å
599R77.1Confident69.3Low172 Ų17288.6 Ų88.665%0.64946%0.455SS*.EExtended strand (participates in β ladder)trans-93.5147.4167.5-69.2-173.1-168.1160.11.9109.7E586 D587E586-R599 CarbonylContact C-O 3.53Å; E586-R599 WeakPolarHBondContact CA-O 3.46Å; D587-R599 HydrophobicContact CB-CB 4.19Å; D587-R599 PolarHBondContact N-O 2.95Å
600Y86.8Confident71.2Confident45 Ų4584.3 Ų84.318%0.17643%0.426CS..EExtended strand (participates in β ladder)trans-119.4151.8176.9-66.1-80.6000110L476 I584 T585 E586 V598 A631 L635L476-Y600 HydrophobicContact CD1-CD1 4.23Å; L476-Y600 HydrophobicContact CD1-CE1 4.01Å; I584-Y600 HydrophobicContact CG2-CD1 3.9Å; I584-Y600 HydrophobicContact CG2-CG 4.34Å; T585-Y600 CarbonylContact O-C 3.58Å; T585-Y600 WeakPolarHBondContact O-CA 3.38Å; E586-Y600 HydrophobicContact CG-CD1 3.8Å; E586-Y600 HydrophobicContact CG-CE1 3.46Å; E586-Y600 VanDerWaalsContact CG-CE1 3.46Å; V598-Y600 HydrophobicContact CB-CE2 4.13Å; V598-Y600 HydrophobicContact CG1-CD1 4.45Å; V598-Y600 HydrophobicContact CG1-CD2 4.23Å; V598-Y600 HydrophobicContact CG1-CE1 3.89Å; V598-Y600 HydrophobicContact CG1-CE2 3.64Å; V598-Y600 VanDerWaalsContact CG1-CZ 3.44Å; Y600-A631 HydrophobicContact CD1-CB 3.82Å; Y600-A631 HydrophobicContact CD2-CB 4.21Å; Y600-A631 HydrophobicContact CE1-CB 3.66Å; Y600-A631 HydrophobicContact CE2-CB 4.06Å; Y600-A631 HydrophobicContact CG-CB 4.09Å; Y600-L635 VanDerWaalsContact O-CD2 3.28Å; Y600-L635 WeakPolarHBondContact O-CD2 3.47Å
601R88.7Confident72.9Confident138 Ų13887 Ų8752%0.52142%0.424SS..EExtended strand (participates in β ladder)trans-129.9135.3170.1-179.9179176.1-151.4-9.5108.7I584 T585 D587 D603I584-R601 CarbonylContact C-O 3.56Å; I584-R601 WeakPolarHBondContact CA-O 3.36Å; T585-R601 PolarHBondContact N-O 3.48Å; T585-R601 PolarHBondContact O-N 2.99Å; T585-R601 PolarHBondContact OG1-O 3.43Å; D587-R601 HydrophobicContact CB-CB 4.42Å; R601-D603 IonicContact CZ-OD1 3.64Å; R601-D603 IonicContact CZ-OD2 3.76Å; R601-D603 IonicContact NE-OD1 3.2Å; R601-D603 PolarHBondContact NE-OD1 2.84Å; R601-D603 IonicContact NE-OD2 2.93Å; R601-D603 PolarHBondContact NE-OD2 3.35Å; R601-D603 IonicContact NH1-OD2 3.96Å; R601-D603 VanDerWaalsContact NH2-CG 3.3Å; R601-D603 IonicContact NH2-OD1 2.72Å; R601-D603 PolarHBondContact NH2-OD1 2.92Å; R601-D603 IonicContact NH2-OD2 3.11Å; R601-D603 PolarHBondContact NH2-OD2 3.47Å; R601-D603 VanDerWaalsContact NH2-OD2 3.11Å
602A90.3Very high74.6Confident9 Ų979.8 Ų79.87%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-112.9133.6174.400000110.3L259 L582 Y583 I584 L635L259-A602 HydrophobicContact CD1-CB 4.18Å; L259-A602 HydrophobicContact CD2-CB 3.87Å; L582-A602 HydrophobicContact CD1-CB 4.06Å; Y583-A602 WeakPolarHBondContact O-CA 3.17Å; I584-A602 HydrophobicContact CG1-CB 4.15Å; A602-L635 HydrophobicContact CB-CD1 3.89Å
603D90.9Very high75.8Confident58 Ų5876.5 Ų76.531%0.3139%0.393SS..EExtended strand (participates in β ladder)trans-138.9151.3173.6-61.6-68.3000109.6Y583 R601Y583-D603 PolarHBondContact N-O 3.5Å; Y583-D603 PolarHBondContact O-N 3.37Å; R601-D603 IonicContact CZ-OD1 3.64Å; R601-D603 IonicContact CZ-OD2 3.76Å; R601-D603 IonicContact NE-OD1 3.2Å; R601-D603 PolarHBondContact NE-OD1 2.84Å; R601-D603 IonicContact NE-OD2 2.93Å; R601-D603 PolarHBondContact NE-OD2 3.35Å; R601-D603 IonicContact NH1-OD2 3.96Å; R601-D603 VanDerWaalsContact NH2-CG 3.3Å; R601-D603 IonicContact NH2-OD1 2.72Å; R601-D603 PolarHBondContact NH2-OD1 2.92Å; R601-D603 IonicContact NH2-OD2 3.11Å; R601-D603 PolarHBondContact NH2-OD2 3.47Å; R601-D603 VanDerWaalsContact NH2-OD2 3.11Å
604W92.4Very high77.2Confident63 Ų6375.3 Ų75.324%0.23938%0.38CS..EExtended strand (participates in β ladder)trans-69133.5169.6-65.3114.5000110.8L255 E258 V472 H580 L582L255-W604 HydrophobicContact CD1-CZ2 4.28Å; E258-W604 HydrophobicContact CB-CH2 4.24Å; E258-W604 HydrophobicContact CB-CZ2 4.24Å; E258-W604 HydrophobicContact CG-CH2 4.19Å; E258-W604 HydrophobicContact CG-CZ2 4.13Å; V472-W604 HydrophobicContact CG1-CH2 4.19Å; V472-W604 HydrophobicContact CG1-CZ3 4.23Å; H580-W604 HydrophobicContact CB-CZ3 4.27Å; H580-W604 AromaticContact CE1-CD2 3.3Å; H580-W604 AromaticContact CE1-CE2 3.97Å; H580-W604 AromaticContact CE1-CE3 3.33Å; H580-W604 AromaticContact CE1-CG 3.54Å; H580-W604 AromaticContact CE1-CZ3 3.96Å; H580-W604 AromaticContact ND1-CD2 3.3Å; H580-W604 VanDerWaalsContact ND1-CD2 3.3Å; H580-W604 AromaticContact ND1-CE2 3.89Å; H580-W604 AromaticContact ND1-CE3 2.85Å; H580-W604 AromaticContact ND1-CH2 3.68Å; H580-W604 AromaticContact ND1-CZ3 3.06Å; H580-W604 WeakPolarHBondContact ND1-CZ3 3.11Å; L582-W604 HydrophobicContact CB-CE3 4.11Å; L582-W604 HydrophobicContact CB-CZ3 3.82Å; L582-W604 HydrophobicContact CD1-CD2 4.42Å; L582-W604 HydrophobicContact CD1-CE3 4.22Å; L582-W604 HydrophobicContact CD1-CZ3 4.35Å
605S90.7Very high78.3Confident31 Ų3170.5 Ų70.522%0.21735%0.346CS..EExtended strand (participates in β ladder)trans-126.9159.5-176.3-157.80000112.1I581 A609I581-S605 PolarHBondContact O-N 3.19Å; S605-A609 WeakPolarHBondContact OG-CB 3.32Å
606S88.6Confident79.3Confident60 Ų6061.9 Ų61.942%0.4231%0.308SS..  trans-99.1160.3176.360.40000111.3T608 A609S606-T608 PolarHBondContact O-N 3.37Å; S606-T608 PolarHBondContact OG-OG1 3.46Å; S606-A609 WeakPolarHBondContact O-CB 3.46Å; S606-A609 PolarHBondContact O-N 3.38Å; S606-A609 VanDerWaalsContact O-N 3.12Å
607E83.8Confident79.3Confident33 Ų3359.9 Ų59.915%0.15429%0.294CS..G310 helixtrans-61.8-20.2-178.2-38.492-152.400112.7K468 Y576 P577 I581 A609 F610K468-E607 WeakPolarHBondContact CE-OE1 3.24Å; K468-E607 IonicContact NZ-OE1 2.8Å; K468-E607 PolarHBondContact NZ-OE1 2.95Å; Y576-E607 HydrophobicContact CD1-CB 3.94Å; Y576-E607 HydrophobicContact CD1-CG 4.41Å; P577-E607 HydrophobicContact CG-CB 4.18Å; P577-E607 HydrophobicContact CG-CG 4.34Å; I581-E607 HydrophobicContact CD1-CB 4.43Å; I581-E607 HydrophobicContact CD1-CG 4.21Å; E607-A609 PolarHBondContact O-N 3.1Å; E607-F610 PolarHBondContact O-N 3.35Å
608T82.8Confident79.5Confident78 Ų7856.2 Ų56.248%0.47927%0.273SS..G310 helixtrans-65.9-25178.961.30000113.2S606 F610 R611S606-T608 PolarHBondContact O-N 3.37Å; S606-T608 PolarHBondContact OG-OG1 3.46Å; T608-F610 PolarHBondContact O-N 2.83Å; T608-R611 PolarHBondContact O-N 2.88Å
609A84.1Confident79.7Confident36 Ų3654.2 Ų54.230%0.29826%0.26SS..G310 helixtrans-65.2-18.3177.200000113.4R483 S605 S606 E607R483-A609 PolarHBondContact NH1-O 2.64Å; R483-A609 PolarHBondContact NH2-O 2.74Å; S605-A609 WeakPolarHBondContact OG-CB 3.32Å; S606-A609 WeakPolarHBondContact O-CB 3.46Å; S606-A609 PolarHBondContact O-N 3.38Å; S606-A609 VanDerWaalsContact O-N 3.12Å; E607-A609 PolarHBondContact O-N 3.1Å
610F87.6Confident79.5Confident6 Ų647.4 Ų47.43%0.02624%0.237CC..G310 helixtrans-108.67.7-175.1-52.7-78.7000113.7V475 P482 R483 N488 I581 Y583 E607 T608 S612V475-F610 HydrophobicContact CB-CE1 3.91Å; V475-F610 HydrophobicContact CB-CZ 4.04Å; V475-F610 HydrophobicContact CG1-CD1 4.25Å; V475-F610 HydrophobicContact CG1-CE1 3.46Å; V475-F610 VanDerWaalsContact CG1-CE1 3.46Å; V475-F610 HydrophobicContact CG1-CZ 4.12Å; V475-F610 HydrophobicContact CG2-CE1 4.14Å; V475-F610 HydrophobicContact CG2-CZ 4.17Å; P482-F610 HydrophobicContact CB-CD1 4.04Å; P482-F610 HydrophobicContact CB-CG 4.48Å; P482-F610 WeakPolarHBondContact O-CB 3.21Å; R483-F610 WeakPolarHBondContact CA-O 3.18Å; R483-F610 HydrophobicContact CG-CB 4.19Å; R483-F610 HydrophobicContact CG-CD1 4.25Å; N488-F610 PolarHBondContact ND2-O 2.78Å; I581-F610 HydrophobicContact CB-CE2 4.37Å; I581-F610 HydrophobicContact CD1-CD2 3.96Å; I581-F610 HydrophobicContact CD1-CE2 3.77Å; I581-F610 HydrophobicContact CG2-CE2 3.64Å; I581-F610 HydrophobicContact CG2-CZ 3.79Å; Y583-F610 HydrophobicContact CD2-CE1 4.06Å; Y583-F610 AromaticContact CD2-CZ 3.93Å; Y583-F610 HydrophobicContact CD2-CZ 3.93Å; Y583-F610 HydrophobicContact CE2-CE1 4.2Å; Y583-F610 HydrophobicContact CE2-CZ 4.48Å; Y583-F610 HydrophobicContact CG-CZ 4.18Å; E607-F610 PolarHBondContact O-N 3.35Å; T608-F610 PolarHBondContact O-N 2.83Å; F610-S612 PolarHBondContact O-N 3.03Å; F610-S612 VanDerWaalsContact O-N 3.15Å
611R81.1Confident79Confident139 Ų13948.5 Ų48.553%0.52525%0.248SC..SBendtrans-73.94.4178.8-73.6-176.7174.2-177.2-2.1115.2N488 Y576 T608N488-R611 VanDerWaalsContact ND2-C 3.3Å; N488-R611 PolarHBondContact ND2-O 3.45Å; N488-R611 PolarHBondContact OD1-O 3.38Å; Y576-R611 PolarHBondContact OH-NH2 3.15Å; T608-R611 PolarHBondContact O-N 2.88Å
612S78.4Confident78.7Confident52 Ų5242.4 Ų42.436%0.36423%0.226SC..SBendtrans-142.7142.617660.70000110.1R483 F610 L614R483-S612 WeakPolarHBondContact CD-O 3.28Å; R483-S612 WeakPolarHBondContact CG-O 3.35Å; R483-S612 PolarHBondContact NH1-O 3.45Å; F610-S612 PolarHBondContact O-N 3.03Å; F610-S612 VanDerWaalsContact O-N 3.15Å; S612-L614 PolarHBondContact O-N 3.48Å
613I76.2Confident78.5Confident15 Ų1542.8 Ų42.88%0.07723%0.226CC..  trans-78.3122.6175.2-70.5167.3000108.7L480 R483 L484 N488 M489 L492 M619L480-I613 HydrophobicContact CD1-CD1 4.04Å; L480-I613 HydrophobicContact CD1-CG1 4.04Å; L480-I613 HydrophobicContact CD1-CG2 3.71Å; R483-I613 HydrophobicContact CB-CG1 3.9Å; R483-I613 WeakPolarHBondContact O-CG1 3.45Å; L484-I613 HydrophobicContact CD2-CD1 4.41Å; N488-I613 HydrophobicContact CB-CD1 3.84Å; N488-I613 HydrophobicContact CB-CG1 3.98Å; M489-I613 HydrophobicContact SD-CD1 4.03Å; L492-I613 HydrophobicContact CB-CD1 4.15Å; L492-I613 HydrophobicContact CD1-CB 4.39Å; L492-I613 HydrophobicContact CD1-CG2 3.94Å; L492-I613 HydrophobicContact CD2-CD1 3.95Å; L492-I613 HydrophobicContact CD2-CG2 4.39Å; L492-I613 HydrophobicContact CG-CD1 4.5Å; I613-M619 HydrophobicContact CG2-CE 3.95Å
614L74.9Confident78.3Confident60 Ų6042.6 Ų42.631%0.31422%0.224SC..  trans-88.3110.9173.8-60.8-178.3000108.8K478 R483 S612 S616K478-L614 HydrophobicContact CB-CB 4.29Å; K478-L614 HydrophobicContact CG-CB 4.45Å; K478-L614 HydrophobicContact CG-CD1 4.14Å; R483-L614 VanDerWaalsContact CZ-CG 3.48Å; R483-L614 VanDerWaalsContact NH2-CD1 3.3Å; S612-L614 PolarHBondContact O-N 3.48Å; L614-S616 PolarHBondContact O-N 3.23Å
615I65.6Low78.1Confident21 Ų2139.8 Ų39.811%0.10821%0.214CC..  trans-76.1114.1178.5-61.6152.9000108.5V221 L224 K225 V228 L492V221-I615 HydrophobicContact CG1-CG2 4.42Å; V221-I615 WeakPolarHBondContact O-CG2 3.45Å; L224-I615 HydrophobicContact CB-CB 4.23Å; L224-I615 HydrophobicContact CB-CD1 3.81Å; L224-I615 HydrophobicContact CB-CG1 3.94Å; L224-I615 HydrophobicContact CB-CG2 3.3Å; L224-I615 HydrophobicContact CD1-CD1 4.35Å; L224-I615 HydrophobicContact CD1-CG1 4.17Å; L224-I615 HydrophobicContact CD2-CD1 3.47Å; L224-I615 VanDerWaalsContact CD2-CD1 3.47Å; L224-I615 HydrophobicContact CD2-CG1 4.22Å; L224-I615 HydrophobicContact CG-CD1 4.08Å; L224-I615 HydrophobicContact CG-CG1 4.35Å; L224-I615 HydrophobicContact CG-CG2 4.47Å; K225-I615 HydrophobicContact CB-CG2 3.77Å; K225-I615 HydrophobicContact CG-CG2 4.41Å; V228-I615 HydrophobicContact CG2-CD1 4Å; L492-I615 HydrophobicContact CD1-CD1 4.14Å; L492-I615 HydrophobicContact CD1-CG1 3.99Å
616S64.8Low77.8Confident6 Ų639.3 Ų39.34%0.04221%0.209CC..  trans-154.5142.6178.4173.60000111.2V221 K478 L614 R618 M619V221-S616 WeakPolarHBondContact CG1-O 3.32Å; K478-S616 WeakPolarHBondContact CD-OG 3.33Å; L614-S616 PolarHBondContact O-N 3.23Å; S616-R618 PolarHBondContact O-N 3.45Å; S616-R618 PolarHBondContact OG-N 2.98Å; S616-M619 WeakPolarHBondContact O-CB 3.49Å; S616-M619 WeakPolarHBondContact O-CG 3.34Å; S616-M619 PolarHBondContact O-N 2.96Å
617P55Low77.8Confident13 Ų1336.7 Ų36.78%0.08419%0.191CC..THydrogen-bonded Turntrans-53-23.7171.3-22.932.2000113.6Q222 Y517 P524Q222-P617 HydrophobicContact CG-CG 4.49Å; Y517-P617 HydrophobicContact CE1-CB 3.82Å; Y517-P617 HydrophobicContact CE1-CG 4.33Å; P524-P617 HydrophobicContact CB-CG 4.06Å; P524-P617 HydrophobicContact CG-CG 4.15Å
618R62.3Low78.2Confident100 Ų10035.1 Ų35.138%0.37718%0.184SC..THydrogen-bonded Turntrans-84.8-10.1176.7-71-161.7171.3168.61.9115.1E586 S616 L620 V621 D622E586-R618 IonicContact OE1-CZ 3.75Å; E586-R618 IonicContact OE1-NH1 2.69Å; E586-R618 PolarHBondContact OE1-NH1 2.83Å; E586-R618 IonicContact OE2-CZ 3.66Å; E586-R618 IonicContact OE2-NH1 2.74Å; E586-R618 PolarHBondContact OE2-NH1 3.01Å; S616-R618 PolarHBondContact O-N 3.45Å; S616-R618 PolarHBondContact OG-N 2.98Å; R618-L620 PolarHBondContact O-N 2.94Å; R618-V621 CarbonylContact O-C 3.49Å; R618-V621 PolarHBondContact O-N 2.81Å; R618-D622 WeakPolarHBondContact O-CB 3.39Å; R618-D622 VanDerWaalsContact O-CG 3.26Å; R618-D622 PolarHBondContact O-N 3.49Å
619M70.9Confident78.6Confident3 Ų333.2 Ų33.22%0.01517%0.17CC..THydrogen-bonded Turntrans-61-24.1-173.170.7-164.9-91.100115.2V221 K478 D479 L480 I613 S616V221-M619 HydrophobicContact CB-SD 3.99Å; V221-M619 HydrophobicContact CG1-CG 4.03Å; V221-M619 HydrophobicContact CG1-SD 3.42Å; V221-M619 WeakPolarHBondContact CG1-SD 3.32Å; V221-M619 HydrophobicContact CG2-CE 3.98Å; V221-M619 HydrophobicContact CG2-CG 3.98Å; V221-M619 HydrophobicContact CG2-SD 3.33Å; V221-M619 WeakPolarHBondContact CG2-SD 3.38Å; K478-M619 WeakPolarHBondContact O-CA 3.41Å; K478-M619 WeakPolarHBondContact O-CB 3.5Å; D479-M619 WeakPolarHBondContact CA-O 3.46Å; L480-M619 HydrophobicContact CB-CB 4.34Å; L480-M619 HydrophobicContact CB-CE 3.72Å; L480-M619 HydrophobicContact CB-CG 4.41Å; L480-M619 HydrophobicContact CD1-CE 3.26Å; L480-M619 HydrophobicContact CD2-CE 3.79Å; L480-M619 HydrophobicContact CG-CE 3.73Å; L480-M619 PolarHBondContact N-O 3.34Å; L480-M619 VanDerWaalsContact N-O 3.07Å; I613-M619 HydrophobicContact CG2-CE 3.95Å; S616-M619 WeakPolarHBondContact O-CB 3.49Å; S616-M619 WeakPolarHBondContact O-CG 3.34Å; S616-M619 PolarHBondContact O-N 2.96Å
620L74.1Confident78.9Confident30 Ų3037.8 Ų37.816%0.15718%0.18CC..THydrogen-bonded Turntrans-93.1-32.3171.7-58.9167.7000112.5V217 L480 R618 H623 M624V217-L620 HydrophobicContact CB-CD1 3.63Å; V217-L620 HydrophobicContact CG1-CD1 3.18Å; V217-L620 HydrophobicContact CG1-CD2 3.69Å; V217-L620 HydrophobicContact CG1-CG 3.96Å; L480-L620 HydrophobicContact CD2-CD2 4.25Å; R618-L620 PolarHBondContact O-N 2.94Å; L620-H623 WeakPolarHBondContact O-CB 3.49Å; L620-H623 PolarHBondContact O-N 3.45Å; L620-M624 WeakPolarHBondContact O-CE 3.2Å; L620-M624 WeakPolarHBondContact O-CG 3.4Å; L620-M624 PolarHBondContact O-N 3.34Å
621V75.4Confident79.1Confident68 Ų6837.5 Ų37.541%0.41218%0.178SC..THydrogen-bonded Turntrans-71.1-43.6-179179.30000109.6R618 H623 M624 A627R618-V621 CarbonylContact O-C 3.49Å; R618-V621 PolarHBondContact O-N 2.81Å; V621-H623 PolarHBondContact O-N 2.9Å; V621-M624 WeakPolarHBondContact O-CB 3.19Å; V621-M624 PolarHBondContact O-N 3.27Å; V621-A627 WeakPolarHBondContact O-CB 3.04Å
622D82.6Confident79.7Confident10 Ų1030.9 Ų30.95%0.05315%0.153CC..THydrogen-bonded Turntrans-62.5-24.7173.7-65.7-5.7000111.5L476 K478 D479 R618 M624L476-D622 HydrophobicContact CD2-CB 4.37Å; L476-D622 HydrophobicContact CG-CB 4.2Å; K478-D622 PolarHBondContact N-OD2 2.9Å; D479-D622 HydrophobicContact CB-CB 4.47Å; R618-D622 WeakPolarHBondContact O-CB 3.39Å; R618-D622 VanDerWaalsContact O-CG 3.26Å; R618-D622 PolarHBondContact O-N 3.49Å; D622-M624 VanDerWaalsContact C-N 3.33Å
623H87.1Confident80.3Confident16 Ų1632 Ų327%0.07416%0.155CC..THydrogen-bonded Turntrans-77-14.3172.9-171.256.9000113.6H426 S427 S453 D479 V481 L620 V621H426-H623 AromaticContact CE1-CE1 3.75Å; H426-H623 AromaticContact CE1-NE2 3.63Å; H426-H623 PolarHBondContact CE1-O 3.36Å; H426-H623 AromaticContact NE2-CE1 3.81Å; H426-H623 PolarHBondContact NE2-O 2.91Å; S427-H623 VanDerWaalsContact CB-NE2 3.33Å; S427-H623 WeakPolarHBondContact CB-NE2 3.31Å; S427-H623 PolarHBondContact OG-CE1 2.86Å; S427-H623 PolarHBondContact OG-NE2 3.49Å; S453-H623 WeakPolarHBondContact CB-ND1 3.39Å; D479-H623 VanDerWaalsContact CG-ND1 3.32Å; D479-H623 VanDerWaalsContact OD1-CB 3.28Å; D479-H623 WeakPolarHBondContact OD1-CB 3.33Å; D479-H623 IonicContact OD1-CG 3.79Å; D479-H623 IonicContact OD1-ND1 2.91Å; D479-H623 PolarHBondContact OD1-ND1 3.34Å; D479-H623 WeakPolarHBondContact OD2-CA 3.47Å; D479-H623 IonicContact OD2-CG 3.12Å; D479-H623 IonicContact OD2-ND1 4Å; D479-H623 PolarHBondContact OD2-ND1 2.96Å; V481-H623 VanDerWaalsContact CB-CE1 3.41Å; V481-H623 WeakPolarHBondContact CB-CE1 3.4Å; V481-H623 WeakPolarHBondContact CG2-CE1 3.21Å; V481-H623 WeakPolarHBondContact CG2-ND1 3.49Å; V481-H623 WeakPolarHBondContact CG2-NE2 3.47Å; L620-H623 WeakPolarHBondContact O-CB 3.49Å; L620-H623 PolarHBondContact O-N 3.45Å; V621-H623 PolarHBondContact O-N 2.9Å
624M85.7Confident80.9Confident55 Ų5532.4 Ų32.427%0.27116%0.16SC..SBendtrans-75.3139.1-174.8-63.8-68.294.500111.5L620 V621 D622 D626 A627 V628L620-M624 WeakPolarHBondContact O-CE 3.2Å; L620-M624 WeakPolarHBondContact O-CG 3.4Å; L620-M624 PolarHBondContact O-N 3.34Å; V621-M624 WeakPolarHBondContact O-CB 3.19Å; V621-M624 PolarHBondContact O-N 3.27Å; D622-M624 VanDerWaalsContact C-N 3.33Å; M624-D626 WeakPolarHBondContact CB-OD1 3.18Å; M624-D626 PolarHBondContact O-N 3.29Å; M624-D626 VanDerWaalsContact O-N 3.11Å; M624-A627 WeakPolarHBondContact O-CB 3.46Å; M624-A627 PolarHBondContact O-N 3.12Å; M624-V628 PolarHBondContact O-N 2.95Å; M624-V628 VanDerWaalsContact O-N 3.16Å
625P87.8Confident81.5Confident4 Ų430.6 Ų30.63%0.02615%0.15CC..Hα-helixtrans-52.8-37.1179.9-28.233.1000114.1M266 A270 Y273 L277 A627 V628 L629M266-P625 HydrophobicContact CE-CB 3.54Å; A270-P625 HydrophobicContact CB-CB 4.13Å; Y273-P625 HydrophobicContact CE2-CG 4.07Å; L277-P625 HydrophobicContact CD1-CG 4.38Å; L277-P625 HydrophobicContact CD2-CB 3.88Å; L277-P625 HydrophobicContact CD2-CG 3.99Å; P625-A627 VanDerWaalsContact C-N 3.35Å; P625-V628 PolarHBondContact O-N 3.17Å; P625-L629 WeakPolarHBondContact O-CB 3.35Å; P625-L629 PolarHBondContact O-N 3.12Å
626D86.1Confident82.5Confident20 Ų2031.5 Ų31.511%0.10716%0.158CC..Hα-helixtrans-71.1-30.1179.768.3-59.8000112.5M624 R630M624-D626 WeakPolarHBondContact CB-OD1 3.18Å; M624-D626 PolarHBondContact O-N 3.29Å; M624-D626 VanDerWaalsContact O-N 3.11Å; D626-R630 WeakPolarHBondContact O-CB 3.5Å; D626-R630 VanDerWaalsContact O-CG 3.26Å; D626-R630 WeakPolarHBondContact O-CG 3.39Å; D626-R630 PolarHBondContact O-N 3.31Å; D626-R630 VanDerWaalsContact O-N 3.08Å; D626-R630 PolarHBondContact O-NE 3.19Å; D626-R630 IonicContact OD2-CZ 3.09Å; D626-R630 IonicContact OD2-NH1 3.86Å; D626-R630 PolarHBondContact OD2-NH1 3.31Å; D626-R630 IonicContact OD2-NH2 2.69Å; D626-R630 PolarHBondContact OD2-NH2 3.15Å
627A88.1Confident83Confident6 Ų635.9 Ų35.95%0.0519%0.189CC..Hα-helixtrans-70.6-46.2173.900000111L476 V621 M624 P625 R630 A631L476-A627 HydrophobicContact CD2-CB 3.98Å; V621-A627 WeakPolarHBondContact O-CB 3.04Å; M624-A627 WeakPolarHBondContact O-CB 3.46Å; M624-A627 PolarHBondContact O-N 3.12Å; P625-A627 VanDerWaalsContact C-N 3.35Å; A627-R630 PolarHBondContact O-N 2.81Å; A627-A631 PolarHBondContact O-N 2.98Å
628V91.8Very high83.2Confident0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-59.7-48.1176.4-178.40000110.8M266 F452 V474 L476 M624 P625 R630 A631 L632M266-V628 HydrophobicContact CG-CG1 4.25Å; M266-V628 HydrophobicContact SD-CB 4.12Å; M266-V628 HydrophobicContact SD-CG1 3.75Å; F452-V628 HydrophobicContact CD1-CG1 4.09Å; V474-V628 HydrophobicContact CG1-CG1 4.33Å; L476-V628 HydrophobicContact CB-CG2 4.2Å; L476-V628 HydrophobicContact CD2-CG2 4.39Å; M624-V628 PolarHBondContact O-N 2.95Å; M624-V628 VanDerWaalsContact O-N 3.16Å; P625-V628 PolarHBondContact O-N 3.17Å; V628-R630 PolarHBondContact O-N 3.2Å; V628-A631 PolarHBondContact O-N 2.94Å; V628-L632 HydrophobicContact CG1-CD1 3.91Å; V628-L632 WeakPolarHBondContact O-CG 3.46Å; V628-L632 PolarHBondContact O-N 3.43Å
629L91.8Very high82.5Confident37 Ų3736.6 Ų36.619%0.19421%0.208CC..Hα-helixtrans-63-41.1178.9-174.861.9000112.5M266 P625 L632 N633M266-L629 HydrophobicContact CB-CD1 3.97Å; M266-L629 HydrophobicContact CG-CB 3.88Å; M266-L629 HydrophobicContact CG-CD1 3.91Å; M266-L629 HydrophobicContact CG-CG 4.46Å; P625-L629 WeakPolarHBondContact O-CB 3.35Å; P625-L629 PolarHBondContact O-N 3.12Å; L629-L632 PolarHBondContact O-N 3.25Å; L629-N633 WeakPolarHBondContact O-CB 3.34Å; L629-N633 VanDerWaalsContact O-CG 3.24Å; L629-N633 PolarHBondContact O-N 3.19Å; L629-N633 PolarHBondContact O-ND2 3.17Å
630R90.2Very high81Confident132 Ų13241 Ų4150%0.49824%0.237SC..Hα-helixtrans-62.2-42.9175.1-81-171.5-60.7-98.7-4.8112.2D626 A627 V628 N633 S634D626-R630 WeakPolarHBondContact O-CB 3.5Å; D626-R630 VanDerWaalsContact O-CG 3.26Å; D626-R630 WeakPolarHBondContact O-CG 3.39Å; D626-R630 PolarHBondContact O-N 3.31Å; D626-R630 VanDerWaalsContact O-N 3.08Å; D626-R630 PolarHBondContact O-NE 3.19Å; D626-R630 IonicContact OD2-CZ 3.09Å; D626-R630 IonicContact OD2-NH1 3.86Å; D626-R630 PolarHBondContact OD2-NH1 3.31Å; D626-R630 IonicContact OD2-NH2 2.69Å; D626-R630 PolarHBondContact OD2-NH2 3.15Å; A627-R630 PolarHBondContact O-N 2.81Å; V628-R630 PolarHBondContact O-N 3.2Å; R630-N633 PolarHBondContact O-N 3.22Å; R630-S634 PolarHBondContact O-N 3.4Å
631A91.4Very high79.4Confident0 Ų048.8 Ų48.80%027%0.27CS..Hα-helixtrans-64.4-45.6179.300000111.6L476 I584 Y600 A627 V628 S634 L635L476-A631 HydrophobicContact CD1-CB 3.75Å; L476-A631 HydrophobicContact CD2-CB 4.14Å; I584-A631 HydrophobicContact CG2-CB 4.22Å; Y600-A631 HydrophobicContact CD1-CB 3.82Å; Y600-A631 HydrophobicContact CD2-CB 4.21Å; Y600-A631 HydrophobicContact CE1-CB 3.66Å; Y600-A631 HydrophobicContact CE2-CB 4.06Å; Y600-A631 HydrophobicContact CG-CB 4.09Å; A627-A631 PolarHBondContact O-N 2.98Å; V628-A631 PolarHBondContact O-N 2.94Å; A631-S634 PolarHBondContact O-N 3.25Å; A631-L635 PolarHBondContact O-N 3.3Å; A631-L635 VanDerWaalsContact O-N 3.09Å; A631-L635 WeakPolarHBondContact O-CG 3.26Å
632L93.4Very high77.4Confident0 Ų052.8 Ų52.80%029%0.288CS..Hα-helixtrans-61-45.3175.9-74.8167.1000112.3L259 A262 A263 M266 F452 V474 I584 V628 L629 S634 L635 C636L259-L632 HydrophobicContact CD2-CD2 4.05Å; A262-L632 HydrophobicContact CB-CD1 4.32Å; A262-L632 HydrophobicContact CB-CD2 3.86Å; A263-L632 HydrophobicContact CB-CB 3.94Å; M266-L632 HydrophobicContact CB-CD1 3.86Å; M266-L632 HydrophobicContact CG-CD1 4.09Å; F452-L632 HydrophobicContact CD1-CD1 4.38Å; F452-L632 HydrophobicContact CE1-CD1 3.89Å; V474-L632 HydrophobicContact CG1-CD1 4.46Å; V474-L632 HydrophobicContact CG1-CD2 4.31Å; I584-L632 HydrophobicContact CD1-CD2 3.62Å; I584-L632 HydrophobicContact CD1-CG 3.97Å; V628-L632 HydrophobicContact CG1-CD1 3.91Å; V628-L632 WeakPolarHBondContact O-CG 3.46Å; V628-L632 PolarHBondContact O-N 3.43Å; L629-L632 PolarHBondContact O-N 3.25Å; L632-S634 VanDerWaalsContact C-N 3.33Å; L632-S634 PolarHBondContact O-N 2.81Å; L632-L635 PolarHBondContact O-N 2.98Å; L632-C636 PolarHBondContact O-N 3.39Å; L632-C636 PolarHBondContact O-SG 3.47Å
633N91.4Very high74.7Confident75 Ų7558.1 Ų58.140%0.40133%0.325SS..Hα-helixtrans-64.7-36.2178.3-73.9-22.4000112.6L629 R630 C636 S637L629-N633 WeakPolarHBondContact O-CB 3.34Å; L629-N633 VanDerWaalsContact O-CG 3.24Å; L629-N633 PolarHBondContact O-N 3.19Å; L629-N633 PolarHBondContact O-ND2 3.17Å; R630-N633 PolarHBondContact O-N 3.22Å; N633-C636 PolarHBondContact O-N 3.25Å; N633-S637 WeakPolarHBondContact O-CB 3.5Å; N633-S637 PolarHBondContact O-N 3.01Å; N633-S637 PolarHBondContact O-OG 3.2Å
634S89.1Confident71.9Confident25 Ų2563.5 Ų63.518%0.17536%0.361CS..Hα-helixtrans-63.4-45.5174.2-179.90000111.2R630 A631 L632 C636 S637 D638R630-S634 PolarHBondContact O-N 3.4Å; A631-S634 PolarHBondContact O-N 3.25Å; L632-S634 VanDerWaalsContact C-N 3.33Å; L632-S634 PolarHBondContact O-N 2.81Å; S634-C636 PolarHBondContact O-N 3.25Å; S634-C636 VanDerWaalsContact C-N 3.31Å; S634-S637 PolarHBondContact O-N 3.22Å; S634-S637 VanDerWaalsContact O-N 3.16Å; S634-D638 PolarHBondContact O-N 3Å; S634-D638 PolarHBondContact OG-OD2 3.15Å
635L88Confident69.2Low21 Ų2165.5 Ų65.511%0.1138%0.38CS..Hα-helixtrans-61.8-38177.3-71.7166.4000112.7L259 I584 Y600 A602 A631 L632 S637L259-L635 HydrophobicContact CD2-CB 4.4Å; L259-L635 HydrophobicContact CD2-CD1 3.84Å; I584-L635 HydrophobicContact CD1-CD1 3.97Å; I584-L635 HydrophobicContact CG1-CD1 4.05Å; I584-L635 HydrophobicContact CG2-CD1 3.85Å; Y600-L635 VanDerWaalsContact O-CD2 3.28Å; Y600-L635 WeakPolarHBondContact O-CD2 3.47Å; A602-L635 HydrophobicContact CB-CD1 3.89Å; A631-L635 PolarHBondContact O-N 3.3Å; A631-L635 VanDerWaalsContact O-N 3.09Å; A631-L635 WeakPolarHBondContact O-CG 3.26Å; L632-L635 PolarHBondContact O-N 2.98Å; L635-S637 VanDerWaalsContact C-N 3.35Å
636C85.4Confident66.4Low40 Ų4071.2 Ų71.227%0.2742%0.42SS..Hα-helixtrans-72.9-26.9177-61.80000113.1L632 N633 S634L632-C636 PolarHBondContact O-N 3.39Å; L632-C636 PolarHBondContact O-SG 3.47Å; N633-C636 PolarHBondContact O-N 3.25Å; S634-C636 PolarHBondContact O-N 3.25Å; S634-C636 VanDerWaalsContact C-N 3.31Å
637S76Confident63.9Low99 Ų9976.9 Ų76.969%0.69245%0.45SS*.Hα-helixtrans-85.2-33.1-178.1-56.50000113.2N633 S634 L635N633-S637 WeakPolarHBondContact O-CB 3.5Å; N633-S637 PolarHBondContact O-N 3.01Å; N633-S637 PolarHBondContact O-OG 3.2Å; S634-S637 PolarHBondContact O-N 3.22Å; S634-S637 VanDerWaalsContact O-N 3.16Å; L635-S637 VanDerWaalsContact C-N 3.35Å
638D59.4Low60.9Low92 Ų9282.2 Ų82.249%0.49249%0.487SS..Hα-helixtrans-95.2-17.2-170.4-69.2-35.2000114.4S634 F641S634-D638 PolarHBondContact O-N 3Å; S634-D638 PolarHBondContact OG-OD2 3.15Å; D638-F641 WeakPolarHBondContact O-CE2 3.44Å
639G47.8Very low57.9Low36 Ų3688.9 Ų88.937%0.37152%0.522SS..  trans65.6144.5-174.600000113.3F641G639-F641 PolarHBondContact O-N 3.18Å; G639-F641 VanDerWaalsContact O-N 3.15Å
640P39.3Very low55.1Low95 Ų9594.1 Ų94.162%0.61755%0.55SS**  trans-70.5113.5177.825.5-30.1000110.4L642P640-L642 PolarHBondContact O-N 3.37Å
641F40Very low52.3Low194 Ų19493.7 Ų93.785%0.85157%0.565SS**PPolyproline II helixtrans-76.5116.9175.9-85.8-87.6000111.5D638 G639D638-F641 WeakPolarHBondContact O-CE2 3.44Å; G639-F641 PolarHBondContact O-N 3.18Å; G639-F641 VanDerWaalsContact O-N 3.15Å
642L33.8Very low49.4Very low152 Ų152101.1 Ų101.180%0.79660%0.599SS**PPolyproline II helixtrans-59138.4159.9-80.6146.8000110.5P640P640-L642 PolarHBondContact O-N 3.37Å
643C25.3Very low46.6Very low122 Ų122108 Ų10882%0.82463%0.634SS**PPolyproline II helixtrans-48130.1174.5-69.70000112.2S645C643-S645 PolarHBondContact O-N 2.72Å
644P28.3Very low43.6Very low129 Ų129109.6 Ų109.684%0.83865%0.652SS**  trans-68.6115.2162.512.2-4.1000108.3S646P644-S646 PolarHBondContact O-N 3.45Å
645S28.1Very low40.9Very low96 Ų96121.1 Ų121.167%0.67171%0.706SS**  trans-56.7121.7168.149.10000109.3C643 L647C643-S645 PolarHBondContact O-N 2.72Å; S645-L647 PolarHBondContact O-N 2.85Å
646S29.2Very low38.5Very low124 Ų124126.2 Ų126.287%0.86774%0.736SS**  trans-68.678.8167.156.40000109.5P644P644-S646 PolarHBondContact O-N 3.45Å
647L33.4Very low36Very low140 Ų140130.7 Ų130.773%0.73376%0.76SS**  trans-138.580.5169.6-95.5156.8000108S645S645-L647 PolarHBondContact O-N 2.85Å
648S26.6Very low33.8Very low117 Ų117132.4 Ų132.482%0.81876%0.764SS**  trans-120.390.6154.469.70000108.5
649N27.9Very low32.3Very low140 Ų140134.8 Ų134.875%0.74978%0.78SS**  trans-6.9122.9148-68.8-25.2000115.8P651N649-P651 WeakPolarHBondContact O-CD 3.47Å
650N32.1Very low31.4Very low147 Ų147141 Ų14179%0.78681%0.806SS**  trans-53.6138.1147.2-84.9-24.3000110
651P31.6Very low30.8Very low123 Ų123144.1 Ų144.180%0.79982%0.818SS**  trans-107.5116.7142.627.6-12.9000108.8N649N649-P651 WeakPolarHBondContact O-CD 3.47Å
652H31.1Very low30.2Very low156 Ų156140.5 Ų140.572%0.72282%0.816SS**  trans-63.8138.2160.5-96.7-76.7000110.4
653I33.8Very low29.9Very low144 Ų144139.6 Ų139.674%0.73882%0.818SS**  trans64.7113.4138.8-54.7164.1000117.9
654S29.8Very low30.3Very low109 Ų109141.1 Ų141.176%0.76282%0.817SS**  178.7138.3109.536.20000112.7
655M31.3Very low30.5Very low268 Ų268142.2 Ų142.2100%1.3282%0.815SS**  trans76.90177.5-60.7-164.9-170.600118.4

Retrieved 655 of 655 residues in 237.2 ms (Link to these results)

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