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5-aminolevulinate synthase

Catalyzes the pyridoxal 5'-phosphate (PLP)-dependent condensation of succinyl-CoA and glycine to form aminolevulinic acid (ALA), with CoA and CO2 as by-products.

AlphaFold DB , UniProt , Accession A0A2K5NY31, Species CERAT (Cercocebus atys, Sooty mangabey), Gene ALAS1, Length 640 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
1M51.1Low61.7Low140 Ų14086.4 Ų86.469%0.6942%0.42SS*.  0-49.50-126.4177.3-159.200111.3T3 V4 L27M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.24Å; M1-V4 PolarHBondContact O-N 3.46Å; M1-L27 HydrophobicContact CE-CD1 4.03Å; M1-L27 HydrophobicContact CG-CD1 4.21Å; M1-L27 HydrophobicContact CG-CD2 4.09Å; M1-L27 HydrophobicContact SD-CD1 4.05Å
2E56.6Low62.2Low134 Ų13484.8 Ų84.863%0.62642%0.424SS*.Hα-helixtrans-59.9-32175.5-77.1-171.2117.200114.6V4 V5 R6E2-V4 PolarHBondContact O-N 2.81Å; E2-V5 PolarHBondContact O-N 3Å; E2-R6 WeakPolarHBondContact O-CB 3.27Å; E2-R6 WeakPolarHBondContact O-CG 3.32Å; E2-R6 PolarHBondContact O-N 3Å; E2-R6 IonicContact OE1-NH2 3.61Å
3T58.6Low62.6Low90 Ų9094.9 Ų94.955%0.55245%0.454SS*.Hα-helixtrans-65.1-34.5-177.92.30000113.5M1 R7M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.24Å; T3-R7 VanDerWaalsContact O-CB 3.32Å; T3-R7 WeakPolarHBondContact O-CB 3.46Å; T3-R7 VanDerWaalsContact O-CG 3.27Å; T3-R7 WeakPolarHBondContact O-CG 3.49Å; T3-R7 PolarHBondContact O-N 3.4Å
4V61.3Low63.1Low26 Ų2690.1 Ų90.116%0.15843%0.434CS..Hα-helixtrans-76.9-39178.7177.20000110.8M1 E2 R7 C8 A30 M36M1-V4 PolarHBondContact O-N 3.46Å; E2-V4 PolarHBondContact O-N 2.81Å; V4-R7 PolarHBondContact O-N 3.41Å; V4-C8 VanDerWaalsContact O-CB 3.25Å; V4-C8 WeakPolarHBondContact O-CB 3.48Å; V4-C8 PolarHBondContact O-N 3.31Å; V4-A30 HydrophobicContact CG1-CB 3.84Å; V4-M36 HydrophobicContact CG1-CE 3.97Å
5V63.1Low63.9Low34 Ų3490.3 Ų90.321%0.20645%0.445CS..Hα-helixtrans-65.4-42.9177.2179.20000111E2 L11 L19 L27E2-V5 PolarHBondContact O-N 3Å; V5-L11 HydrophobicContact CG1-CB 4.2Å; V5-L11 HydrophobicContact CG2-CD1 4.47Å; V5-L19 HydrophobicContact CG1-CD1 4.04Å; V5-L27 HydrophobicContact CG2-CD2 3.56Å
6R60.9Low64Low183 Ų18394.1 Ų94.169%0.69146%0.462SS*.Hα-helixtrans-72.5-26.6179.6-72.5-173.8-175.8-175.86.4114E2E2-R6 WeakPolarHBondContact O-CB 3.27Å; E2-R6 WeakPolarHBondContact O-CG 3.32Å; E2-R6 PolarHBondContact O-N 3Å; E2-R6 IonicContact OE1-NH2 3.61Å
7R64.4Low64.4Low83 Ų8393 Ų9331%0.31347%0.471SS..Hα-helixtrans-96.9-12-178.6-68.7-176.1177.4-163.62.8114.2T3 V4 P9 V39 K42T3-R7 VanDerWaalsContact O-CB 3.32Å; T3-R7 WeakPolarHBondContact O-CB 3.46Å; T3-R7 VanDerWaalsContact O-CG 3.27Å; T3-R7 WeakPolarHBondContact O-CG 3.49Å; T3-R7 PolarHBondContact O-N 3.4Å; V4-R7 PolarHBondContact O-N 3.41Å; R7-P9 WeakPolarHBondContact O-CD 3.36Å; R7-V39 HydrophobicContact CB-CG1 4.14Å; R7-V39 PolarHBondContact NH1-O 3.19Å; R7-K42 PolarHBondContact NH1-O 2.96Å
8C65.1Low64.6Low15 Ų1594.4 Ų94.410%0.10147%0.474CS..  trans-80.5115.2173.1-173.60000109.5V4 F10 L11 S12 M36V4-C8 VanDerWaalsContact O-CB 3.25Å; V4-C8 WeakPolarHBondContact O-CB 3.48Å; V4-C8 PolarHBondContact O-N 3.31Å; C8-F10 PolarHBondContact O-N 3.06Å; C8-L11 HydrophobicContact CB-CB 3.91Å; C8-L11 HydrophobicContact CB-CD1 3.97Å; C8-L11 HydrophobicContact CB-CG 3.96Å; C8-L11 PolarHBondContact O-N 3.42Å; C8-S12 WeakPolarHBondContact O-CB 3.37Å; C8-S12 PolarHBondContact O-N 3.1Å; C8-S12 PolarHBondContact O-OG 3.18Å; C8-M36 HydrophobicContact CB-CE 3.45Å; C8-M36 VanDerWaalsContact CB-CE 3.45Å; C8-M36 HydrophobicContact CB-SD 4.31Å
9P62.5Low64.8Low94 Ų9491.3 Ų91.361%0.6146%0.459SS*.THydrogen-bonded Turntrans-60.1-24.4-178.4-2131.7000113.4R7 S12 R13R7-P9 WeakPolarHBondContact O-CD 3.36Å; P9-S12 PolarHBondContact O-OG 2.91Å; P9-R13 WeakPolarHBondContact O-CG 3.25Å
10F66.9Low64.9Low143 Ų14394.8 Ų94.863%0.62747%0.473SS*.THydrogen-bonded Turntrans-78.1-57.4175.4-174.5-102.4000110.8C8 S12 R13 V14C8-F10 PolarHBondContact O-N 3.06Å; F10-S12 VanDerWaalsContact C-N 3.27Å; F10-S12 PolarHBondContact O-N 3.34Å; F10-R13 PolarHBondContact O-N 3.27Å; F10-R13 VanDerWaalsContact O-N 3.1Å; F10-V14 HydrophobicContact CD1-CG2 4.36Å; F10-V14 HydrophobicContact CE1-CG2 4.17Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 3.3Å
11L68.8Low65Low8 Ų899.8 Ų99.84%0.04249%0.492CS..G310 helixtrans-65.9-28.1-177.1-58.1173.5000112.9V5 C8 R13 V14 L19 L26 A30V5-L11 HydrophobicContact CG1-CB 4.2Å; V5-L11 HydrophobicContact CG2-CD1 4.47Å; C8-L11 HydrophobicContact CB-CB 3.91Å; C8-L11 HydrophobicContact CB-CD1 3.97Å; C8-L11 HydrophobicContact CB-CG 3.96Å; C8-L11 PolarHBondContact O-N 3.42Å; L11-R13 PolarHBondContact O-N 3.31Å; L11-V14 PolarHBondContact O-N 3.26Å; L11-L19 HydrophobicContact CD2-CD2 4.02Å; L11-L26 HydrophobicContact CD2-CB 4.39Å; L11-A30 HydrophobicContact CD1-CB 4.21Å
12S66.8Low65.6Low68 Ų6894.5 Ų94.548%0.47647%0.471SS..G310 helixtrans-69.1-14.1176.769.90000113.8C8 P9 F10C8-S12 WeakPolarHBondContact O-CB 3.37Å; C8-S12 PolarHBondContact O-N 3.1Å; C8-S12 PolarHBondContact O-OG 3.18Å; P9-S12 PolarHBondContact O-OG 2.91Å; F10-S12 VanDerWaalsContact C-N 3.27Å; F10-S12 PolarHBondContact O-N 3.34Å
13R67.2Low66Low216 Ų21688.6 Ų88.682%0.81545%0.445SS*.G310 helixtrans-107.1-2.9178.5-66.2-177.5177.5-171.8-0.2113P9 F10 L11P9-R13 WeakPolarHBondContact O-CG 3.25Å; F10-R13 PolarHBondContact O-N 3.27Å; F10-R13 VanDerWaalsContact O-N 3.1Å; L11-R13 PolarHBondContact O-N 3.31Å
14V70.3Confident66.4Low27 Ų2793.4 Ų93.416%0.16446%0.459CS..SBendtrans-85.7132.9-178.7174.50000109.6F10 L11 Q16 F18 L19F10-V14 HydrophobicContact CD1-CG2 4.36Å; F10-V14 HydrophobicContact CE1-CG2 4.17Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 3.3Å; L11-V14 PolarHBondContact O-N 3.26Å; V14-Q16 PolarHBondContact O-N 3.2Å; V14-F18 HydrophobicContact CG1-CB 3.95Å; V14-F18 HydrophobicContact CG1-CD1 3.49Å; V14-F18 VanDerWaalsContact CG1-CD1 3.49Å; V14-F18 HydrophobicContact CG1-CE1 4.37Å; V14-F18 HydrophobicContact CG1-CG 4.08Å; V14-L19 HydrophobicContact CB-CG 4.35Å; V14-L19 HydrophobicContact CG1-CD2 4.36Å; V14-L19 HydrophobicContact CG1-CG 4.05Å
15P74.8Confident66.7Low94 Ų9495.8 Ų95.861%0.6148%0.477SS*.  trans-55.5138.3178.8-26.434.4000112.8A17 F18 L19P15-A17 PolarHBondContact O-N 3.02Å; P15-F18 WeakPolarHBondContact O-CB 3.45Å; P15-F18 PolarHBondContact O-N 3.07Å; P15-L19 PolarHBondContact O-N 3.48Å
16Q66.3Low66.9Low151 Ų15196.5 Ų96.571%0.70648%0.479SS*.Hα-helixtrans-61.9-30.9-172.7-161.8151.3-15.200113.2V14 F18 L19 Q20V14-Q16 PolarHBondContact O-N 3.2Å; Q16-F18 VanDerWaalsContact C-N 3.3Å; Q16-F18 PolarHBondContact O-N 3.18Å; Q16-L19 PolarHBondContact O-N 3.43Å; Q16-Q20 WeakPolarHBondContact O-CG 3.27Å; Q16-Q20 PolarHBondContact O-N 3.01Å
17A69.8Low67.1Low75 Ų7589 Ų8962%0.6245%0.453SS*.Hα-helixtrans-63.4-33.2173.200000113P15 K21P15-A17 PolarHBondContact O-N 3.02Å; A17-K21 PolarHBondContact O-N 3.33Å
18F68.9Low67.4Low118 Ų11890.8 Ų90.852%0.51846%0.463SS..Hα-helixtrans-76.3-39.4176.3-172.4-90.7000111.3V14 P15 Q16 Q20 K21 A22 L26V14-F18 HydrophobicContact CG1-CB 3.95Å; V14-F18 HydrophobicContact CG1-CD1 3.49Å; V14-F18 VanDerWaalsContact CG1-CD1 3.49Å; V14-F18 HydrophobicContact CG1-CE1 4.37Å; V14-F18 HydrophobicContact CG1-CG 4.08Å; P15-F18 WeakPolarHBondContact O-CB 3.45Å; P15-F18 PolarHBondContact O-N 3.07Å; Q16-F18 VanDerWaalsContact C-N 3.3Å; Q16-F18 PolarHBondContact O-N 3.18Å; F18-Q20 PolarHBondContact O-N 3.3Å; F18-K21 PolarHBondContact O-N 3.42Å; F18-A22 HydrophobicContact CD1-CB 4.31Å; F18-A22 HydrophobicContact CE1-CB 3.96Å; F18-A22 HydrophobicContact CZ-CB 4.25Å; F18-A22 PolarHBondContact O-N 3.49Å; F18-L26 HydrophobicContact CD1-CD1 4.44Å; F18-L26 HydrophobicContact CE1-CD1 3.88Å
19L68.5Low67.7Low36 Ų3697.7 Ų97.719%0.18849%0.488CS..Hα-helixtrans-61.7-32.3173-73.6170.6000112.2V5 L11 V14 P15 Q16 G23V5-L19 HydrophobicContact CG1-CD1 4.04Å; L11-L19 HydrophobicContact CD2-CD2 4.02Å; V14-L19 HydrophobicContact CB-CG 4.35Å; V14-L19 HydrophobicContact CG1-CD2 4.36Å; V14-L19 HydrophobicContact CG1-CG 4.05Å; P15-L19 PolarHBondContact O-N 3.48Å; Q16-L19 PolarHBondContact O-N 3.43Å; L19-G23 WeakPolarHBondContact O-CA 3.13Å; L19-G23 PolarHBondContact O-N 3.48Å
20Q66.4Low67.9Low160 Ų16093.8 Ų93.875%0.74846%0.463SS*.Hα-helixtrans-70.6-34.2175.7-75.6179.5-1200113.1Q16 F18Q16-Q20 WeakPolarHBondContact O-CG 3.27Å; Q16-Q20 PolarHBondContact O-N 3.01Å; F18-Q20 PolarHBondContact O-N 3.3Å
21K66.4Low67.7Low201 Ų20190.9 Ų90.987%0.87445%0.451SS*.Hα-helixtrans-82.5-41.6179-97.3-176.9174.2-179.90114A17 F18A17-K21 PolarHBondContact O-N 3.33Å; F18-K21 PolarHBondContact O-N 3.42Å
22A64.3Low67.7Low29 Ų2995.3 Ų95.324%0.2448%0.475CS..Hα-helixtrans-104.1-0.8-175.300000113.7F18 K24 S25 L26F18-A22 HydrophobicContact CD1-CB 4.31Å; F18-A22 HydrophobicContact CE1-CB 3.96Å; F18-A22 HydrophobicContact CZ-CB 4.25Å; F18-A22 PolarHBondContact O-N 3.49Å; A22-K24 PolarHBondContact O-N 3.2Å; A22-S25 PolarHBondContact O-N 3.45Å; A22-L26 HydrophobicContact CB-CD1 3.73Å; A22-L26 PolarHBondContact O-N 3.48Å
23G64.3Low67.7Low9 Ų994.3 Ų94.39%0.09347%0.468CS..Hα-helixtrans-57.3-39-165.100000115L19 S25 L27L19-G23 WeakPolarHBondContact O-CA 3.13Å; L19-G23 PolarHBondContact O-N 3.48Å; G23-S25 PolarHBondContact O-N 3.25Å; G23-L27 WeakPolarHBondContact O-CB 3.36Å; G23-L27 VanDerWaalsContact O-CD1 3.28Å; G23-L27 WeakPolarHBondContact O-CD1 3.36Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.91Å
24K66.8Low67.6Low192 Ų19289.2 Ų89.284%0.83546%0.462SS*.Hα-helixtrans-64.5-42.9-177.3-70.1-174.6178.9-179.90112.3A22 F28A22-K24 PolarHBondContact O-N 3.2Å; K24-F28 WeakPolarHBondContact O-CB 3.39Å; K24-F28 PolarHBondContact O-N 3.35Å; K24-F28 VanDerWaalsContact O-N 3.12Å
25S69Low67.2Low76 Ų7695.6 Ų95.653%0.53149%0.488SS..Hα-helixtrans-73.6-42.4179.7-52.20000111.8A22 G23 F28 Y29A22-S25 PolarHBondContact O-N 3.45Å; G23-S25 PolarHBondContact O-N 3.25Å; S25-F28 WeakPolarHBondContact O-CB 3.28Å; S25-F28 PolarHBondContact O-N 3.45Å; S25-Y29 WeakPolarHBondContact O-CD2 3.27Å; S25-Y29 PolarHBondContact O-N 2.91Å; S25-Y29 VanDerWaalsContact O-N 3.07Å
26L66.3Low66.8Low49 Ų4992.5 Ų92.526%0.25747%0.466SS..Hα-helixtrans-68-37.2178.6-76.4163.3000112.5L11 F18 A22 Y29 A30L11-L26 HydrophobicContact CD2-CB 4.39Å; F18-L26 HydrophobicContact CD1-CD1 4.44Å; F18-L26 HydrophobicContact CE1-CD1 3.88Å; A22-L26 HydrophobicContact CB-CD1 3.73Å; A22-L26 PolarHBondContact O-N 3.48Å; L26-Y29 PolarHBondContact O-N 3.2Å; L26-A30 WeakPolarHBondContact O-CB 3.11Å; L26-A30 PolarHBondContact O-N 3.43Å
27L65.1Low66.7Low26 Ų2691 Ų9114%0.13646%0.46CS..Hα-helixtrans-65-40.6173.1-78.5163.8000111.4M1 V5 G23 A30 Q31M1-L27 HydrophobicContact CE-CD1 4.03Å; M1-L27 HydrophobicContact CG-CD1 4.21Å; M1-L27 HydrophobicContact CG-CD2 4.09Å; M1-L27 HydrophobicContact SD-CD1 4.05Å; V5-L27 HydrophobicContact CG2-CD2 3.56Å; G23-L27 WeakPolarHBondContact O-CB 3.36Å; G23-L27 VanDerWaalsContact O-CD1 3.28Å; G23-L27 WeakPolarHBondContact O-CD1 3.36Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.91Å; L27-A30 PolarHBondContact O-N 3.47Å; L27-Q31 WeakPolarHBondContact O-CB 3.38Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.38Å; L27-Q31 PolarHBondContact O-N 3.04Å
28F71.6Confident66.3Low120 Ų12092.7 Ų92.753%0.52646%0.455SS..Hα-helixtrans-60.1-45.7175.7-179.9-95.8000111.7K24 S25 Q31 N32K24-F28 WeakPolarHBondContact O-CB 3.39Å; K24-F28 PolarHBondContact O-N 3.35Å; K24-F28 VanDerWaalsContact O-N 3.12Å; S25-F28 WeakPolarHBondContact O-CB 3.28Å; S25-F28 PolarHBondContact O-N 3.45Å; F28-Q31 PolarHBondContact O-N 3.18Å; F28-N32 WeakPolarHBondContact CE2-ND2 2.92Å; F28-N32 VanDerWaalsContact CZ-ND2 3.33Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.33Å; F28-N32 PolarHBondContact O-N 3.48Å; F28-N32 VanDerWaalsContact O-N 3.13Å; F28-N32 PolarHBondContact O-ND2 3.11Å
29Y70.6Confident66Low160 Ų16090 Ų9063%0.62745%0.448SS*.Hα-helixtrans-66.8-38.4176.1-71.6-64.1000112.9S25 L26 N32 C33S25-Y29 WeakPolarHBondContact O-CD2 3.27Å; S25-Y29 PolarHBondContact O-N 2.91Å; S25-Y29 VanDerWaalsContact O-N 3.07Å; L26-Y29 PolarHBondContact O-N 3.2Å; Y29-N32 PolarHBondContact O-N 3.2Å; Y29-C33 WeakPolarHBondContact O-CB 3.36Å; Y29-C33 PolarHBondContact O-N 3.45Å; Y29-C33 VanDerWaalsContact O-N 3.11Å
30A67.3Low65.6Low11 Ų1190.4 Ų90.49%0.09146%0.461CS..Hα-helixtrans-67.1-36.1177.600000112.6V4 L11 L26 L27 C33 M36V4-A30 HydrophobicContact CG1-CB 3.84Å; L11-A30 HydrophobicContact CD1-CB 4.21Å; L26-A30 WeakPolarHBondContact O-CB 3.11Å; L26-A30 PolarHBondContact O-N 3.43Å; L27-A30 PolarHBondContact O-N 3.47Å; A30-C33 PolarHBondContact O-N 2.89Å; A30-M36 VanDerWaalsContact O-CB 3.27Å; A30-M36 WeakPolarHBondContact O-CB 3.02Å
31Q63.4Low65.1Low82 Ų8287 Ų8738%0.38346%0.46SS..Hα-helixtrans-71.4-33176.7-75.5174.9-25.900112.8L27 F28 C33L27-Q31 WeakPolarHBondContact O-CB 3.38Å; L27-Q31 VanDerWaalsContact O-CG 3.27Å; L27-Q31 WeakPolarHBondContact O-CG 3.38Å; L27-Q31 PolarHBondContact O-N 3.04Å; F28-Q31 PolarHBondContact O-N 3.18Å; Q31-C33 VanDerWaalsContact C-N 3.33Å
32N66.8Low64.7Low102 Ų10283.3 Ų83.355%0.54544%0.444SS..THydrogen-bonded Turntrans-89.32.2177.8-68.2-59.5000113.3F28 Y29 P34F28-N32 WeakPolarHBondContact CE2-ND2 2.92Å; F28-N32 VanDerWaalsContact CZ-ND2 3.33Å; F28-N32 WeakPolarHBondContact CZ-ND2 3.33Å; F28-N32 PolarHBondContact O-N 3.48Å; F28-N32 VanDerWaalsContact O-N 3.13Å; F28-N32 PolarHBondContact O-ND2 3.11Å; Y29-N32 PolarHBondContact O-N 3.2Å; N32-P34 WeakPolarHBondContact O-CD 3.41Å
33C67.2Low63.9Low46 Ų4687.9 Ų87.931%0.31147%0.471SS..  trans-84.5116.6175.6-1790000110.2Y29 A30 Q31 K35 M36 M37Y29-C33 WeakPolarHBondContact O-CB 3.36Å; Y29-C33 PolarHBondContact O-N 3.45Å; Y29-C33 VanDerWaalsContact O-N 3.11Å; A30-C33 PolarHBondContact O-N 2.89Å; Q31-C33 VanDerWaalsContact C-N 3.33Å; C33-K35 PolarHBondContact O-N 2.95Å; C33-M36 HydrophobicContact CB-CB 3.96Å; C33-M36 HydrophobicContact CB-CG 3.84Å; C33-M36 PolarHBondContact O-N 2.87Å; C33-M37 PolarHBondContact O-N 3.45Å
34P64.9Low63.1Low109 Ų10990.9 Ų90.971%0.70850%0.495SS*.Hα-helixtrans-58.4-36-177.3-23.833.1000113N32 M36 M37 E38N32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-M36 VanDerWaalsContact C-N 3.34Å; P34-M36 PolarHBondContact O-N 3.3Å; P34-M37 PolarHBondContact O-N 3.22Å; P34-E38 PolarHBondContact O-N 3.48Å
35K62.4Low61.8Low161 Ų16187.7 Ų87.770%0.750%0.495SS*.Hα-helixtrans-69.7-29.9180-135.8157.1-176.11710112.7C33 V39C33-K35 PolarHBondContact O-N 2.95Å; K35-V39 WeakPolarHBondContact O-CG2 3.46Å; K35-V39 PolarHBondContact O-N 3.42Å
36M66.1Low60.1Low29 Ų2996.2 Ų96.214%0.14352%0.515CS..Hα-helixtrans-79.5-33.8177.7-71.7-58.6-54.300112.4V4 C8 A30 C33 P34 E38 V39 G40V4-M36 HydrophobicContact CG1-CE 3.97Å; C8-M36 HydrophobicContact CB-CE 3.45Å; C8-M36 VanDerWaalsContact CB-CE 3.45Å; C8-M36 HydrophobicContact CB-SD 4.31Å; A30-M36 VanDerWaalsContact O-CB 3.27Å; A30-M36 WeakPolarHBondContact O-CB 3.02Å; C33-M36 HydrophobicContact CB-CB 3.96Å; C33-M36 HydrophobicContact CB-CG 3.84Å; C33-M36 PolarHBondContact O-N 2.87Å; P34-M36 VanDerWaalsContact C-N 3.34Å; P34-M36 PolarHBondContact O-N 3.3Å; M36-E38 VanDerWaalsContact C-N 3.28Å; M36-E38 PolarHBondContact O-N 2.9Å; M36-V39 PolarHBondContact O-N 2.84Å; M36-G40 PolarHBondContact O-N 3.12Å
37M64.1Low58.6Low119 Ų11998.8 Ų98.859%0.58654%0.543SS*.Hα-helixtrans-64.2-35.8172.5-69.9-61.8-70.400111.5C33 P34 V39 G40 A41C33-M37 PolarHBondContact O-N 3.45Å; P34-M37 PolarHBondContact O-N 3.22Å; M37-V39 PolarHBondContact O-N 3.13Å; M37-G40 PolarHBondContact O-N 2.84Å; M37-A41 PolarHBondContact O-N 3.16Å
38E62.5Low57Low112 Ų112106.2 Ų106.252%0.52358%0.582SS.*Hα-helixtrans-66.3-34.2175.5-150.9-172.916000113.2P34 M36P34-E38 PolarHBondContact O-N 3.48Å; M36-E38 VanDerWaalsContact C-N 3.28Å; M36-E38 PolarHBondContact O-N 2.9Å
39V62.9Low55Low61 Ų61105.8 Ų105.837%0.3759%0.594SS.*Hα-helixtrans-76.7-28.9175.9174.60000112R7 K35 M36 M37R7-V39 HydrophobicContact CB-CG1 4.14Å; R7-V39 PolarHBondContact NH1-O 3.19Å; K35-V39 WeakPolarHBondContact O-CG2 3.46Å; K35-V39 PolarHBondContact O-N 3.42Å; M36-V39 PolarHBondContact O-N 2.84Å; M37-V39 PolarHBondContact O-N 3.13Å
40G59.5Low53.1Low45 Ų45104.4 Ų104.446%0.46460%0.603SS.*Hα-helixtrans-69.9-32.8173.500000113.5M36 M37M36-G40 PolarHBondContact O-N 3.12Å; M37-G40 PolarHBondContact O-N 2.84Å
41A56.6Low51.2Low87 Ų87109.1 Ų109.172%0.71964%0.642SS**SBendtrans-80.8-11.2-176.600000114.8M37M37-A41 PolarHBondContact O-N 3.16Å
42K56Low49.5Very low124 Ų124109.4 Ų109.454%0.53966%0.658SS.*SBendtrans-86.8136.8-179.8-71.2177.7-177.3175.30112.1R7R7-K42 PolarHBondContact NH1-O 2.96Å
43P47.6Very low47.6Very low125 Ų125110.1 Ų110.181%0.81267%0.666SS**PPolyproline II helixtrans-60.9143.5173.6-18.529.8000111.7
44A49.1Very low45.7Very low72 Ų72115.5 Ų115.560%0.59569%0.686SS**PPolyproline II helixtrans-74.1136.6-177.900000112.2
45P38.5Very low43.8Very low126 Ų126118.7 Ų118.782%0.81869%0.685SS**PPolyproline II helixtrans-76.3144.7164.229.9-28.9000110.8
46R34.5Very low42.1Very low254 Ų254118 Ų11896%0.95868%0.684SS**PPolyproline II helixtrans-59.8141.6-179.7-80.5176.2169.8165.4-3.8112
47A33.5Very low40.2Very low103 Ų103123.4 Ų123.485%0.85171%0.709SS**PPolyproline II helixtrans-69.7143.7-179.900000113
48L31.5Very low38.3Very low182 Ų182123.9 Ų123.995%0.95371%0.713SS**  trans-112.1129.9161.8-89.6163.4000109.6
49S29.9Very low36.5Very low112 Ų112127 Ų12778%0.78373%0.725SS**  trans-76.8153.1-173.8178.10000113
50T30.1Very low34.7Very low131 Ų131131.5 Ų131.580%0.80474%0.742SS**  trans-56.2149.6171.4460000115.4
51A28.4Very low33Very low110 Ų110135.7 Ų135.791%0.90976%0.758SS**  trans-166.6155.6133.200000111.3
52A26.9Very low31.5Very low88 Ų88136.7 Ų136.773%0.72776%0.76SS**  trans-131.7161.1-163.700000112.3
53V27.5Very low31Very low117 Ų117136.5 Ų136.571%0.70977%0.772SS**  trans73.6141.9150.9-147.20000121.7
54H26.4Very low29.9Very low159 Ų159134.6 Ų134.674%0.73677%0.766SS**  trans91.6145.7153.4-80.5-48.5000118.2
55Y25.4Very low28.7Very low176 Ų176136.1 Ų136.169%0.6977%0.773SS**  cis178.9144.9-23.5-143.9-118000104.5
56Q26.8Very low28.2Very low146 Ų146137.9 Ų137.968%0.68277%0.77SS**  trans61.9154.3158.6-74.9177.4-22.400117.8
57Q27Very low27.7Very low143 Ų143134.7 Ų134.767%0.66876%0.763SS**  cis-165.8142.43.8-121178.1-9.900107.5
58I24.7Very low27.4Very low129 Ų129136.4 Ų136.466%0.66276%0.758SS**  62.6137.7129.7-64.9171.5000122.6
59K24.6Very low27.2Very low176 Ų176136.3 Ų136.377%0.76575%0.75SS**  trans102.799.5147.6-95.5162.1-177.7-171.60117
60E24Very low27Very low157 Ų157137.1 Ų137.173%0.73475%0.75SS**  77.711671.6-159.4178.5-119.100111.3
61T23.8Very low26.9Very low132 Ų132136 Ų13681%0.8175%0.754SS**  trans142.4116.6139.550.10000112.7
62S25.6Very low26.8Very low108 Ų108140.5 Ų140.576%0.75575%0.753SS**  trans-80.1-176.4153.549.60000108.4
63P45.3Very low26.8Very low121 Ų121140.9 Ų140.979%0.78676%0.756SS**  cis-147.2-155.913.340.2-16.1000114.5
64A23.5Very low26.6Very low84 Ų84145.4 Ų145.469%0.69477%0.767SS**  trans106.6101.9166.100000114.1
65S25.6Very low26.5Very low104 Ų104144.1 Ų144.173%0.72777%0.769SS**  58.5116.977.277.10000112.1
66E26.8Very low26.5Very low164 Ų164144.8 Ų144.877%0.76678%0.779SS**  -174.513078.4-97-174141.700108.3
67K25.4Very low26.4Very low186 Ų186146.7 Ų146.781%0.80979%0.788SS**  66.5112.299.8-90-172.9-176.2176.90116.2
68D26.6Very low26.4Very low140 Ų140144.3 Ų144.375%0.74979%0.793SS**  122.4149.9112.2-138.8-0.5000118.2
69K27.4Very low27Very low180 Ų180143.7 Ų143.778%0.78380%0.797SS**  trans107.388.9160.2-59.3-176.3-178.2177.60119.8
70T25.8Very low27.1Very low128 Ų128143.1 Ų143.179%0.78580%0.802SS**  17.3130.3117.643.20000119.8
71A27Very low27.1Very low108 Ų108139 Ų13989%0.89380%0.802SS**  171.8162.9104.500000113.7
72K26.1Very low27.2Very low204 Ų204138.5 Ų138.589%0.88780%0.804SS**  trans-80147-159.8-70.7165170.11760116.6
73A26.8Very low27.5Very low96 Ų96142.8 Ų142.879%0.79381%0.812SS**  48.4128.1128.800000122.2
74K24Very low26.7Very low213 Ų213146 Ų14693%0.92682%0.817SS**  trans-151.8138.4133.8-112.8178.2-175.9-178.80111.9
75V24.6Very low26.9Very low131 Ų131147.4 Ų147.479%0.79482%0.821SS**  trans-84.9142.9-178.3167.90000110.2
76Q25Very low27.7Very low190 Ų190148.2 Ų148.289%0.88882%0.824SS**  trans-149.6146.8149.6-115.5161.68.600111.2
77Q25.9Very low28.2Very low186 Ų186147.7 Ų147.787%0.86983%0.827SS**  trans-77.7165.4-156.5-71.7162.2-39.500115.5
78A25.7Very low28.9Very low93 Ų93142.2 Ų142.277%0.76982%0.823SS**  trans-69.1179.5-176.100000114.9
79P37.2Very low29.9Very low116 Ų116142 Ų14275%0.75383%0.826SS**  -146.5160.96935-13.2000118.3
80D26.8Very low31.5Very low164 Ų164142.2 Ų142.288%0.87783%0.831SS**  trans57118.7145.6-76.2-20.4000124.1
81G24.2Very low33.1Very low70 Ų70139.9 Ų139.972%0.72281%0.813SS**  100.986.6107.100000118.1
82S26.8Very low35.2Very low123 Ų123138.8 Ų138.886%0.8680%0.796SS**  178.5137.4128.438.70000111.9
83Q30.3Very low36.9Very low198 Ų198135.3 Ų135.393%0.92580%0.798SS**  trans-60.7127.4-178.2-66.2164.5-24.800111.6
84Q29.5Very low38.8Very low189 Ų189134.6 Ų134.688%0.88380%0.8SS**  trans-114.3120.7160.7-81.1-177-9.700109.4
85S27.9Very low40.3Very low113 Ų113130.2 Ų130.279%0.7978%0.782SS**  trans-63.8136.4167.3500000111.5
86P41.2Very low42.4Very low121 Ų121129.2 Ų129.279%0.78678%0.779SS**  trans-97.8108.616833.8-23.1000109.6
87D37.4Very low44.2Very low153 Ų153127 Ų12782%0.81877%0.772SS**  trans166.885.9133-103.4-17.3000109.6T89D87-T89 PolarHBondContact O-N 3.05Å
88G41.1Very low45.1Very low71 Ų71123.1 Ų123.173%0.73276%0.763SS**  trans-84.3103.2158.800000107.9Q90G88-Q90 VanDerWaalsContact C-N 3.3Å; G88-Q90 PolarHBondContact O-N 3.3Å
89T47.8Very low46.3Very low134 Ų134123.3 Ų123.382%0.82277%0.765SS**  trans-66.590.7173.4-27.70000108.5D87 L91D87-T89 PolarHBondContact O-N 3.05Å; T89-L91 PolarHBondContact O-N 3.2Å; T89-L91 VanDerWaalsContact O-N 3.16Å
90Q60.3Low46.6Very low186 Ų186124.3 Ų124.387%0.86977%0.769SS**  trans-69.6110.3172.1-73.9-174.8-2.500108G88G88-Q90 VanDerWaalsContact C-N 3.3Å; G88-Q90 PolarHBondContact O-N 3.3Å
91L60.4Low47.2Very low78 Ų78122.3 Ų122.341%0.40877%0.768SS.*  trans-57.3149.4170.1-76.3166.9000109.8T89 S93 H95 L97 P98T89-L91 PolarHBondContact O-N 3.2Å; T89-L91 VanDerWaalsContact O-N 3.16Å; L91-S93 PolarHBondContact O-N 3.21Å; L91-H95 HydrophobicContact CB-CB 4.09Å; L91-L97 HydrophobicContact CD1-CD2 4.45Å; L91-P98 HydrophobicContact CD1-CG 4.34Å
92P69.7Low47.8Very low85 Ų85128 Ų12855%0.55278%0.776SS**  trans-55.2141.2179.5-20.329.3000111.2G94 H95P92-G94 PolarHBondContact O-N 3.07Å; P92-H95 PolarHBondContact O-N 3.3Å
93S62.3Low48.3Very low132 Ų132125.5 Ų125.592%0.92377%0.769SS**THydrogen-bonded Turntrans-53114.6-179.855.50000110.9L91L91-S93 PolarHBondContact O-N 3.21Å
94G67.3Low48.5Very low80 Ų80123.1 Ų123.183%0.82577%0.768SS**THydrogen-bonded Turntrans111.6-10.9-177.100000114.9P92P92-G94 PolarHBondContact O-N 3.07Å
95H54.8Low48.9Very low121 Ų121118.6 Ų118.656%0.5676%0.763SS**SBendtrans-76.8133.1168.7-91.2-81.7000111.1L91 P92 L97L91-H95 HydrophobicContact CB-CB 4.09Å; P92-H95 PolarHBondContact O-N 3.3Å; H95-L97 PolarHBondContact O-N 3.27Å
96P68.2Low49.7Very low111 Ų111118.4 Ų118.472%0.72176%0.762SS**PPolyproline II helixtrans-61.8127.9173.324-30.2000109.2
97L64.1Low49.8Very low144 Ų144121.6 Ų121.675%0.75476%0.763SS**PPolyproline II helixtrans-62.3141.3173.5-72.2163.6000109.1L91 H95 A99L91-L97 HydrophobicContact CD1-CD2 4.45Å; H95-L97 PolarHBondContact O-N 3.27Å; L97-A99 PolarHBondContact O-N 3.5Å
98P44.6Very low50.1Low103 Ų103117.7 Ų117.767%0.66975%0.747SS**PPolyproline II helixtrans-57.8126.2174.2-16.928.8000108.6L91 T100L91-P98 HydrophobicContact CD1-CG 4.34Å; P98-T100 PolarHBondContact O-N 3.17Å
99A51Low50.5Low98 Ų98119.7 Ų119.781%0.8175%0.747SS**PPolyproline II helixtrans-60122.6175.700000108.7L97 S101L97-A99 PolarHBondContact O-N 3.5Å; A99-S101 PolarHBondContact O-N 3.05Å
100T42.3Very low50.2Low136 Ų136120.5 Ų120.583%0.83474%0.74SS**PPolyproline II helixtrans-54.3123.4170.242.10000108.8P98 Q102P98-T100 PolarHBondContact O-N 3.17Å; T100-Q102 PolarHBondContact O-N 3.21Å
101S40.6Very low49.5Very low123 Ų123117 Ų11786%0.8673%0.726SS**  trans-55.6108.4-173.254.50000112.3A99A99-S101 PolarHBondContact O-N 3.05Å
102Q36.4Very low49Very low190 Ų190116.3 Ų116.389%0.88873%0.732SS**  trans-109.3124.2152.8-78.6-171.5-14.600107.9T100T100-Q102 PolarHBondContact O-N 3.21Å
103G38.1Very low48Very low70 Ų70115.6 Ų115.672%0.72273%0.733SS**  trans-65.8138.9179.300000111.9
104T33Very low47.2Very low148 Ų148113.8 Ų113.891%0.90871%0.71SS**  trans-176129.713224.20000107.7
105A38.7Very low46.3Very low94 Ų94117 Ų11778%0.77771%0.706SS**  trans-76.6148.6-179.900000111.9
106S45Very low45.9Very low108 Ų108118.4 Ų118.476%0.75572%0.717SS**  trans103.5127.7140.685.10000118.8
107K42.4Very low44.9Very low189 Ų189120.4 Ų120.482%0.82272%0.717SS**  trans88.3100.2168.8-59.1-175.4-179.2178.90115.6P109K107-P109 WeakPolarHBondContact O-CD 3.25Å
108C43.4Very low43.9Very low70 Ų70126.1 Ų126.147%0.47373%0.728SS.*  trans-53.9118.1165.9178.20000109.4F110 L111C108-F110 PolarHBondContact O-N 2.74Å; C108-F110 WeakPolarHBondContact SG-CB 3.39Å; C108-L111 HydrophobicContact CB-CD1 4.22Å; C108-L111 PolarHBondContact O-N 3.05Å; C108-L111 VanDerWaalsContact O-N 3.09Å
109P49.4Very low44.1Very low114 Ų114124.8 Ų124.874%0.7473%0.733SS**Hα-helixtrans-63.8-14.1-178.422.4-30.6000113K107K107-P109 WeakPolarHBondContact O-CD 3.25Å
110F43.5Very low43.8Very low151 Ų151123 Ų12366%0.66272%0.715SS**Hα-helixtrans-71.8-36174.6-151.6-92.7000112.9C108C108-F110 PolarHBondContact O-N 2.74Å; C108-F110 WeakPolarHBondContact SG-CB 3.39Å
111L45.5Very low43.9Very low112 Ų112122.2 Ų122.259%0.58672%0.715SS**Hα-helixtrans-78.1-31.9-178.1-85.8158.2000112.6C108 M115C108-L111 HydrophobicContact CB-CD1 4.22Å; C108-L111 PolarHBondContact O-N 3.05Å; C108-L111 VanDerWaalsContact O-N 3.09Å; L111-M115 WeakPolarHBondContact O-CG 3.33Å
112A48.8Very low44.2Very low63 Ų63120.9 Ų120.952%0.52170%0.701SS.*Hα-helixtrans-71-31.7-179.200000113.1
113A48.1Very low44.1Very low71 Ų71119.5 Ų119.559%0.58769%0.693SS**Hα-helixtrans-79.9-28.4-177.400000113.6
114Q46.6Very low44.2Very low93 Ų93122 Ų12244%0.43570%0.698SS.*Hα-helixtrans-89.8-21.7-176-94.1-176.9-22.900114.6N116Q114-N116 VanDerWaalsContact C-N 3.31Å; Q114-N116 PolarHBondContact O-N 2.92Å
115M47.1Very low44.4Very low149 Ų149124.4 Ų124.473%0.73470%0.696SS**THydrogen-bonded Turntrans-75.3-17.8179-69.4-179.27100113.8L111L111-M115 WeakPolarHBondContact O-CG 3.33Å
116N48.3Very low44Very low149 Ų149125 Ų12580%0.79770%0.7SS**THydrogen-bonded Turntrans-89.4-2.2-179.1-83-12.6000114.6Q114Q114-N116 VanDerWaalsContact C-N 3.31Å; Q114-N116 PolarHBondContact O-N 2.92Å
117Q46.6Very low43.9Very low153 Ų153124.3 Ų124.372%0.71570%0.696SS**  trans-112.693.4175.7-69.4-172-5.400110.6G119Q117-G119 PolarHBondContact O-N 2.65Å
118R43.4Very low43.6Very low264 Ų264123.3 Ų123.3100%0.99670%0.698SS**THydrogen-bonded Turntrans-71.758.5174.7-74.3-170.6-180-160.81.7112.6
119G48.2Very low43.1Very low75 Ų75128.5 Ų128.577%0.77372%0.716SS**THydrogen-bonded Turntrans-166.614.9-178.100000116.9Q117Q117-G119 PolarHBondContact O-N 2.65Å
120S43.9Very low42.3Very low62 Ų62129.2 Ų129.243%0.43471%0.713SS.*  trans-91.6118.1178.8-173.30000111.3V122S120-V122 PolarHBondContact O-N 3.09Å; S120-V122 WeakPolarHBondContact OG-CB 3.5Å; S120-V122 VanDerWaalsContact OG-CG2 3.3Å; S120-V122 WeakPolarHBondContact OG-CG2 3.41Å
121S45.9Very low41.6Very low118 Ų118130.8 Ų130.883%0.82572%0.722SS**THydrogen-bonded Turntrans-7120.5174.366.80000114.1
122V45.2Very low41Very low95 Ų95132.9 Ų132.958%0.57673%0.729SS**THydrogen-bonded Turntrans-94.6-6.5-174.5-179.80000111.7S120S120-V122 PolarHBondContact O-N 3.09Å; S120-V122 WeakPolarHBondContact OG-CB 3.5Å; S120-V122 VanDerWaalsContact OG-CG2 3.3Å; S120-V122 WeakPolarHBondContact OG-CG2 3.41Å
123F35.3Very low40.3Very low162 Ų162137.2 Ų137.271%0.71174%0.743SS**  trans-119100.1171.7-69.3-81.4000110.7
124C39.5Very low39.6Very low123 Ų123140.2 Ų140.283%0.83175%0.754SS**  trans-80.2133.3159.1-79.60000108.7A126C124-A126 PolarHBondContact O-N 2.97Å
125K37.3Very low38.9Very low198 Ų198144.7 Ų144.786%0.86178%0.775SS**  trans-59.6126.9165.6-143.5177.7-174.9-176.80106.7S127K125-S127 PolarHBondContact O-N 3.46Å
126A30.2Very low38.2Very low105 Ų105146.2 Ų146.287%0.86878%0.78SS**  trans-56.8113.2179.400000109.7C124C124-A126 PolarHBondContact O-N 2.97Å
127S43.3Very low37.2Very low95 Ų95147.9 Ų147.966%0.66479%0.786SS**  trans-87.1136.8167.247.20000108.7K125 E129K125-S127 PolarHBondContact O-N 3.46Å; S127-E129 PolarHBondContact O-N 2.84Å; S127-E129 VanDerWaalsContact O-N 3.11Å
128L37.3Very low36.3Very low168 Ų168147.6 Ų147.688%0.8879%0.789SS**  trans-71.697.5170.5-86.3151.7000108.3
129E31.7Very low35.6Very low179 Ų179139.8 Ų139.884%0.83678%0.78SS**  trans-99.598.7160.4-77.8-176.7170.500107.8S127S127-E129 PolarHBondContact O-N 2.84Å; S127-E129 VanDerWaalsContact O-N 3.11Å
130L32Very low34.6Very low129 Ų129142.9 Ų142.968%0.67578%0.784SS**  trans-75.6125.4164.5-118.8106.4000107.5E132L130-E132 HydrophobicContact CD2-CG 3.69Å; L130-E132 PolarHBondContact O-N 2.81Å
131Q29.2Very low33.9Very low184 Ų184150.2 Ų150.286%0.8680%0.802SS**  trans-90.194.3168-155.4171.85.800107.2
132E34.1Very low33Very low156 Ų156154.5 Ų154.573%0.72981%0.806SS**  trans-95.4103.8170.6-70.6-173.4158.300109.1L130L130-E132 HydrophobicContact CD2-CG 3.69Å; L130-E132 PolarHBondContact O-N 2.81Å
133D32.9Very low32.3Very low154 Ų154157.4 Ų157.482%0.82481%0.813SS**  trans-108.889.8154.7-82-34.7000107.3
134V34.8Very low31.9Very low134 Ų134156.2 Ų156.281%0.81282%0.819SS**  trans-126.6112.6164.7-178.40000107.6
135Q31.9Very low31.3Very low187 Ų187154.4 Ų154.487%0.87481%0.813SS**  trans-65.1136.9172.9-73.5178.7-21.500110.8M137Q135-M137 PolarHBondContact O-N 2.59Å
136E31.3Very low30.9Very low180 Ų180154 Ų15484%0.84181%0.814SS**  trans-59.9121.8173.9-74.9179.5144.700111.7
137M26.5Very low30.6Very low185 Ų185155.7 Ų155.791%0.91181%0.814SS**  trans-102.1107.4159-86.9-175.56200109.2Q135 A139Q135-M137 PolarHBondContact O-N 2.59Å; M137-A139 PolarHBondContact O-N 3.09Å; M137-A139 VanDerWaalsContact O-N 3.15Å
138N27.8Very low29.8Very low147 Ų147156.6 Ų156.679%0.78682%0.82SS**  trans-64106.7168.7-81-43.1000110.4
139A29Very low29.2Very low99 Ų99153 Ų15382%0.81882%0.815SS**  trans-86.6108.3168.900000109.7M137 R141M137-A139 PolarHBondContact O-N 3.09Å; M137-A139 VanDerWaalsContact O-N 3.15Å; A139-R141 PolarHBondContact O-N 2.94Å
140V28.6Very low29.2Very low140 Ų140150 Ų15085%0.84881%0.814SS**  trans-65.5118.5172.4174.40000109.4
141R28.6Very low29.2Very low216 Ų216149.4 Ų149.482%0.81582%0.817SS**  trans-59.6134166.7-82.8179.3172177.3-2.4110.4A139A139-R141 PolarHBondContact O-N 2.94Å
142K27.6Very low29Very low209 Ų209145.8 Ų145.891%0.90981%0.812SS**  trans-130.6118.2150.8-124.8179.2-178.5-179.50108.1
143E30.4Very low28.7Very low156 Ų156145.2 Ų145.273%0.72982%0.819SS**  trans-79174.4-179.3-70180158.600112.7
144V27.1Very low28.3Very low137 Ų137143.7 Ų143.783%0.8382%0.815SS**  trans94.4126.7155.9-163.90000113.9
145A25.5Very low28Very low84 Ų84142.4 Ų142.469%0.69481%0.812SS**  cis-154.5158.211.400000111.3
146E28.6Very low27.7Very low189 Ų189139.2 Ų139.288%0.88381%0.805SS**  trans-58.7145.9164.2-63.3174.2146.500112.3
147T24.5Very low27.5Very low141 Ų141140.2 Ų140.287%0.86581%0.807SS**  trans-148.1126.8147.8-19.90000110
148S26.5Very low27.5Very low114 Ų114137.7 Ų137.780%0.79780%0.802SS**  trans-74.2134.4177.642.60000111.4
149A25.6Very low27.4Very low94 Ų94138.9 Ų138.978%0.77781%0.808SS**  trans-162.3104.7154.800000110.8
150S30.1Very low27.3Very low116 Ų116138.3 Ų138.381%0.81181%0.812SS**  trans-62.5150.4151.3-9.80000109
151P33.7Very low27.2Very low116 Ų116135 Ų13575%0.75381%0.806SS**  -144.1126.9112.729.2-10.7000114.4
152S23.6Very low27.3Very low107 Ų107130.6 Ų130.675%0.74880%0.799SS**  27.1110.4120.6-39.90000118.2V154S152-V154 PolarHBondContact O-N 3.44Å
153V28.1Very low27.5Very low145 Ų145126.1 Ų126.188%0.87979%0.791SS**  trans-57.5122.5162.5177.60000110.1
154V25.6Very low27.8Very low122 Ų122119.8 Ų119.874%0.73976%0.764SS**  trans-125.6111.5160.3178.40000107.8S152 V156S152-V154 PolarHBondContact O-N 3.44Å; V154-V156 HydrophobicContact CG1-CG2 4.36Å
155S26.8Very low28.1Very low107 Ų107115.5 Ų115.575%0.74875%0.748SS**  trans-72.9124.7171.155.40000110.4
156V25.7Very low28.7Very low120 Ų120116.2 Ų116.273%0.72774%0.739SS**  trans-122.3115.2162.9-179.40000108.2V154V154-V156 HydrophobicContact CG1-CG2 4.36Å
157K27Very low29.1Very low200 Ų200112.7 Ų112.787%0.8773%0.726SS**  trans-71.8129.6166.4-71.5-179.8174.4-177.80108.7
158T26.7Very low29.8Very low132 Ų132111.5 Ų111.581%0.8171%0.709SS**  trans-139.6121.5150.132.60000108.3
159D26.3Very low30.7Very low172 Ų172111 Ų11192%0.9270%0.697SS**  trans-73.3148.3173.5-79.6-45000110.9
160G26.6Very low31.6Very low87 Ų87110.2 Ų110.290%0.89768%0.677SS**  trans12796.814900000116.5
161G26.8Very low32.3Very low71 Ų71110.3 Ų110.373%0.73266%0.664SS**  trans121.788.1162.200000113P163G161-P163 WeakPolarHBondContact O-CD 3.5Å
162D30.2Very low33Very low124 Ų124108.6 Ų108.666%0.66365%0.649SS**  trans-78.7115.5-173.2-16913.8000113.3S164D162-S164 WeakPolarHBondContact OD1-CA 3.34Å; D162-S164 WeakPolarHBondContact OD1-CB 3.3Å; D162-S164 PolarHBondContact OD1-N 3.47Å; D162-S164 PolarHBondContact OD1-OG 3Å; D162-S164 PolarHBondContact OD2-OG 3.37Å
163P32.5Very low34.4Very low114 Ų114105.7 Ų105.774%0.7462%0.624SS**  trans-98.616.4164.810.313.9000111.5G161 G165G161-P163 WeakPolarHBondContact O-CD 3.5Å; P163-G165 PolarHBondContact O-N 3.34Å
164S36.3Very low35.4Very low24 Ų2499.7 Ų99.717%0.16859%0.587CS.*Hα-helixtrans-78.6-4.2-16676.80000116.6D162 K168D162-S164 WeakPolarHBondContact OD1-CA 3.34Å; D162-S164 WeakPolarHBondContact OD1-CB 3.3Å; D162-S164 PolarHBondContact OD1-N 3.47Å; D162-S164 PolarHBondContact OD1-OG 3Å; D162-S164 PolarHBondContact OD2-OG 3.37Å; S164-K168 WeakPolarHBondContact O-CB 3.36Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.4Å; S164-K168 PolarHBondContact OG-NZ 3.05Å
165G32.9Very low36.4Very low47 Ų47100.4 Ų100.449%0.48558%0.582SS.*Hα-helixtrans-62.7-45.1-177.900000113.6P163 N169P163-G165 PolarHBondContact O-N 3.34Å; G165-N169 PolarHBondContact O-N 2.92Å
166L39.6Very low37.6Very low98 Ų98102.8 Ų102.851%0.51358%0.579SS.*Hα-helixtrans-71.9-41.2-179.7-92.9152.7000112.4N169 F170L166-N169 PolarHBondContact O-N 3.21Å; L166-F170 WeakPolarHBondContact O-CB 3.29Å; L166-F170 PolarHBondContact O-N 3.49Å
167L36.8Very low38.8Very low116 Ų116101.9 Ų101.961%0.60757%0.567SS**Hα-helixtrans-67.4-35.9177.9-84.8159.6000112.6F170 Q171L167-F170 PolarHBondContact O-N 3.3Å; L167-Q171 WeakPolarHBondContact O-CB 3.49Å; L167-Q171 WeakPolarHBondContact O-CG 3.46Å; L167-Q171 PolarHBondContact O-N 3.4Å
168K37.4Very low40.1Very low116 Ų11699.9 Ų99.950%0.50455%0.554SS.*Hα-helixtrans-66.2-47.4174.2-82.7172.4177.7152.30111.9S164 F170 Q171 D172S164-K168 WeakPolarHBondContact O-CB 3.36Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.4Å; S164-K168 PolarHBondContact OG-NZ 3.05Å; K168-F170 VanDerWaalsContact C-N 3.26Å; K168-F170 PolarHBondContact O-N 2.87Å; K168-Q171 PolarHBondContact O-N 3.49Å; K168-D172 WeakPolarHBondContact O-CB 3.34Å; K168-D172 PolarHBondContact O-N 3.32Å
169N46.8Very low41.5Very low103 Ų10398.6 Ų98.655%0.55155%0.548SS*.Hα-helixtrans-60.6-37.9176.1-78.6-12.8000111.9G165 L166 D172 I173G165-N169 PolarHBondContact O-N 2.92Å; L166-N169 PolarHBondContact O-N 3.21Å; N169-D172 PolarHBondContact O-N 3.19Å; N169-I173 WeakPolarHBondContact O-CD1 3.38Å; N169-I173 VanDerWaalsContact O-CG1 3.24Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.22Å
170F43.9Very low43Very low78 Ų78100 Ų10034%0.34255%0.549SS..Hα-helixtrans-68.7-41177.2-159.9-93.9000112.7L166 L167 K168 M174 Y216 V218L166-F170 WeakPolarHBondContact O-CB 3.29Å; L166-F170 PolarHBondContact O-N 3.49Å; L167-F170 PolarHBondContact O-N 3.3Å; K168-F170 VanDerWaalsContact C-N 3.26Å; K168-F170 PolarHBondContact O-N 2.87Å; F170-M174 HydrophobicContact CD1-CG 4.2Å; F170-M174 HydrophobicContact CE1-CG 4.14Å; F170-M174 WeakPolarHBondContact O-CB 3.44Å; F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.9Å; F170-M174 VanDerWaalsContact O-N 3.09Å; F170-Y216 HydrophobicContact CZ-CD1 4.44Å; F170-V218 HydrophobicContact CE2-CG2 4.11Å; F170-V218 HydrophobicContact CZ-CG2 3.96Å
171Q44.8Very low44.5Very low118 Ų118106 Ų10655%0.55154%0.544SS*.Hα-helixtrans-65.1-40.9174.1-79.1178.5-6.600112L167 K168 M174 Q175L167-Q171 WeakPolarHBondContact O-CB 3.49Å; L167-Q171 WeakPolarHBondContact O-CG 3.46Å; L167-Q171 PolarHBondContact O-N 3.4Å; K168-Q171 PolarHBondContact O-N 3.49Å; Q171-M174 PolarHBondContact O-N 3.11Å; Q171-Q175 WeakPolarHBondContact O-CB 3.33Å; Q171-Q175 WeakPolarHBondContact O-CG 3.46Å; Q171-Q175 PolarHBondContact O-N 2.6Å
172D48.4Very low46.5Very low80 Ų80107.8 Ų107.843%0.42854%0.541SS..Hα-helixtrans-66.2-41.3178.6-81.7-8.8000112.4K168 N169 M174 Q175 K176K168-D172 WeakPolarHBondContact O-CB 3.34Å; K168-D172 PolarHBondContact O-N 3.32Å; N169-D172 PolarHBondContact O-N 3.19Å; D172-M174 VanDerWaalsContact C-N 3.34Å; D172-Q175 PolarHBondContact O-N 3.46Å; D172-K176 VanDerWaalsContact O-CG 3.27Å; D172-K176 WeakPolarHBondContact O-CG 3.44Å; D172-K176 PolarHBondContact O-N 2.88Å; D172-K176 VanDerWaalsContact O-N 3.1Å
173I52.3Low48.7Very low45 Ų45107 Ų10723%0.23155%0.545CS..Hα-helixtrans-65.9-39.6175.4-67.6166.1000110.7N169 K176 Q177 V218N169-I173 WeakPolarHBondContact O-CD1 3.38Å; N169-I173 VanDerWaalsContact O-CG1 3.24Å; N169-I173 WeakPolarHBondContact O-CG1 3.26Å; N169-I173 PolarHBondContact O-N 3.22Å; I173-K176 PolarHBondContact O-N 2.9Å; I173-Q177 PolarHBondContact O-N 3.32Å; I173-V218 HydrophobicContact CG2-CG1 3.89Å
174M49Very low51.2Low19 Ų19106.6 Ų106.69%0.09453%0.533CS..Hα-helixtrans-67.6-37.8177.3-75.7-92.775.300113.1F170 Q171 D172 K176 Q177 R178 Y216 V218F170-M174 HydrophobicContact CD1-CG 4.2Å; F170-M174 HydrophobicContact CE1-CG 4.14Å; F170-M174 WeakPolarHBondContact O-CB 3.44Å; F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.9Å; F170-M174 VanDerWaalsContact O-N 3.09Å; Q171-M174 PolarHBondContact O-N 3.11Å; D172-M174 VanDerWaalsContact C-N 3.34Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-Q177 PolarHBondContact O-N 3.44Å; M174-R178 PolarHBondContact O-N 3.14Å; M174-Y216 HydrophobicContact CE-CE1 3.5Å; M174-Y216 VanDerWaalsContact CE-CE1 3.5Å; M174-Y216 WeakPolarHBondContact CE-OH 3.39Å; M174-Y216 HydrophobicContact SD-CD1 4.11Å; M174-Y216 HydrophobicContact SD-CE1 3.31Å; M174-Y216 WeakPolarHBondContact SD-CE1 3.21Å; M174-V218 HydrophobicContact CE-CG2 4.01Å; M174-V218 HydrophobicContact SD-CG2 4.46Å
175Q48.1Very low53.6Low138 Ų138108 Ų10865%0.64554%0.538SS*.Hα-helixtrans-65.6-36.7174.3-79.5179.40.600111.6Q171 D172 Q177 R178Q171-Q175 WeakPolarHBondContact O-CB 3.33Å; Q171-Q175 WeakPolarHBondContact O-CG 3.46Å; Q171-Q175 PolarHBondContact O-N 2.6Å; D172-Q175 PolarHBondContact O-N 3.46Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.33Å; Q175-R178 PolarHBondContact O-N 2.84Å
176K50.9Low56.3Low156 Ų156109.4 Ų109.468%0.67853%0.534SS*.Hα-helixtrans-68.1-23.6177.4-73.3170.2-178.1176.90114.6D172 I173 M174D172-K176 VanDerWaalsContact O-CG 3.27Å; D172-K176 WeakPolarHBondContact O-CG 3.44Å; D172-K176 PolarHBondContact O-N 2.88Å; D172-K176 VanDerWaalsContact O-N 3.1Å; I173-K176 PolarHBondContact O-N 2.9Å; M174-K176 VanDerWaalsContact C-N 3.33Å
177Q51.2Low58.7Low101 Ų101109.1 Ų109.147%0.47253%0.531SS..Hα-helixtrans-93.7-15.1178.4-70.5-172.7-6.400113.9I173 M174 Q175I173-Q177 PolarHBondContact O-N 3.32Å; M174-Q177 PolarHBondContact O-N 3.44Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.33Å
178R54.1Low61.2Low158 Ų158108.2 Ų108.260%0.59653%0.526SS*.SBendtrans-79.3135.1171.8-77.7-178.3171.7-174-5.8108.6M174 Q175 E180M174-R178 PolarHBondContact O-N 3.14Å; Q175-R178 PolarHBondContact O-N 2.84Å; R178-E180 PolarHBondContact O-N 3.44Å
179P55.7Low63.8Low105 Ų105108.2 Ų108.268%0.68253%0.532SS*.  trans-54.5133167.721.9-29.3000108.4R181P179-R181 PolarHBondContact O-N 3.32Å
180E58Low65.9Low202 Ų202105.7 Ų105.794%0.94452%0.518SS*.SBendtrans-55-17.3-176.3-69.5-178.1167.100113.2R178R178-E180 PolarHBondContact O-N 3.44Å
181R58.7Low68Low213 Ų213105.5 Ų105.580%0.80452%0.524SS*.SBendtrans-131.9130.5171.9-63-175.3-174.6-169.20.7110.6P179 S183P179-R181 PolarHBondContact O-N 3.32Å; R181-S183 PolarHBondContact O-N 3.14Å
182V68.9Low70Confident108 Ų108109.8 Ų109.866%0.65554%0.541SS*.  trans-63.8117.3161179.80000106.7H184 L185V182-H184 WeakPolarHBondContact CG1-O 3.23Å; V182-L185 HydrophobicContact CG1-CD2 3.84Å; V182-L185 HydrophobicContact CG1-CG 4.33Å
183S76Confident71.7Confident109 Ų109111.2 Ų111.276%0.76256%0.558SS**  trans-69.4-37.6-176.358.10000112.2R181R181-S183 PolarHBondContact O-N 3.14Å
184H85.3Confident73.4Confident104 Ų104113.4 Ų113.448%0.48157%0.573SS.*  trans-167.7159.317262.5-67.4000109.3V182V182-H184 WeakPolarHBondContact CG1-O 3.23Å
185L86.9Confident75.2Confident53 Ų53118.5 Ų118.528%0.27761%0.61SS.*  trans-97.7153.7170-62.7172.6000110.4V182 Q187 D188 D200V182-L185 HydrophobicContact CG1-CD2 3.84Å; V182-L185 HydrophobicContact CG1-CG 4.33Å; L185-Q187 HydrophobicContact CB-CG 3.71Å; L185-Q187 HydrophobicContact CD1-CG 4.21Å; L185-Q187 VanDerWaalsContact CD1-NE2 3.3Å; L185-Q187 PolarHBondContact O-N 3.44Å; L185-D188 PolarHBondContact N-OD2 2.97Å; L185-D188 VanDerWaalsContact O-CB 3.3Å; L185-D188 WeakPolarHBondContact O-CB 3.15Å; L185-D188 PolarHBondContact O-N 2.85Å; L185-D200 HydrophobicContact CD2-CB 4.47Å
186L90.3Very high77.3Confident77 Ų77114.6 Ų114.640%0.40360%0.596SS.*G310 helixtrans-61.7-36.9177-66.5177.4000111.2D188 N189 D200 F203L186-D188 PolarHBondContact O-N 3.08Å; L186-N189 PolarHBondContact O-N 2.7Å; L186-N189 VanDerWaalsContact O-N 3.12Å; L186-D200 PolarHBondContact N-OD1 3.28Å; L186-D200 PolarHBondContact N-OD2 2.76Å; L186-F203 HydrophobicContact CD1-CD2 4.27Å; L186-F203 HydrophobicContact CD1-CE2 3.93Å
187Q88.6Confident79.3Confident93 Ų93112.6 Ų112.644%0.43559%0.588SS.*G310 helixtrans-58.7-23.6174.768.4-177.92100113.9L185 N189 L190 D200L185-Q187 HydrophobicContact CB-CG 3.71Å; L185-Q187 HydrophobicContact CD1-CG 4.21Å; L185-Q187 VanDerWaalsContact CD1-NE2 3.3Å; L185-Q187 PolarHBondContact O-N 3.44Å; Q187-N189 PolarHBondContact O-N 3.46Å; Q187-L190 PolarHBondContact O-N 2.93Å; Q187-L190 VanDerWaalsContact O-N 3.13Å; Q187-D200 PolarHBondContact N-OD2 2.96Å
188D90.1Very high81.3Confident96 Ų96112.8 Ų112.851%0.51359%0.588SS.*G310 helixtrans-69.3-23.4179.5-60.3-26.2000111.7L185 L186L185-D188 PolarHBondContact N-OD2 2.97Å; L185-D188 VanDerWaalsContact O-CB 3.3Å; L185-D188 WeakPolarHBondContact O-CB 3.15Å; L185-D188 PolarHBondContact O-N 2.85Å; L186-D188 PolarHBondContact O-N 3.08Å
189N91.1Very high83.2Confident117 Ų117110.3 Ų110.363%0.62658%0.58SS**G310 helixtrans-87.8-4.8176-63.6-47.9000113.1L186 Q187L186-N189 PolarHBondContact O-N 2.7Å; L186-N189 VanDerWaalsContact O-N 3.12Å; Q187-N189 PolarHBondContact O-N 3.46Å
190L91.1Very high84.9Confident50 Ų50106.5 Ų106.526%0.26255%0.554SS.*SBendtrans-96145.3-175-60.8-179.1000111.6Q187 K192 T196 Y199Q187-L190 PolarHBondContact O-N 2.93Å; Q187-L190 VanDerWaalsContact O-N 3.13Å; L190-K192 PolarHBondContact O-N 2.93Å; L190-T196 HydrophobicContact CB-CG2 4.29Å; L190-T196 HydrophobicContact CD1-CG2 4.45Å; L190-Y199 HydrophobicContact CD1-CD2 3.77Å; L190-Y199 HydrophobicContact CD1-CE2 3.9Å
191P88.6Confident86.5Confident73 Ų73104.9 Ų104.947%0.47454%0.539SS..  trans-64.3124179.324.3-31.8000110.9S193 V194P191-S193 PolarHBondContact O-N 3.4Å; P191-V194 PolarHBondContact O-N 2.9Å
192K85.9Confident88.3Confident209 Ų20998.8 Ų98.891%0.90952%0.518SS*.THydrogen-bonded Turntrans-69.6-13.4178-62-176.5-179.4-179.60113.7L190 V194L190-K192 PolarHBondContact O-N 2.93Å; K192-V194 VanDerWaalsContact C-N 3.3Å
193S86Confident89.5Confident110 Ų11098.8 Ų98.877%0.76951%0.51SS*.THydrogen-bonded Turntrans-79.3-9.5-178.951.80000113.8P191P191-S193 PolarHBondContact O-N 3.4Å
194V86.8Confident90.2Very high91 Ų9198.9 Ų98.955%0.55250%0.498SS*.SBendtrans-129.5141.5-178.4-172.10000109.1P191 K192 T196P191-V194 PolarHBondContact O-N 2.9Å; K192-V194 VanDerWaalsContact C-N 3.3Å; V194-T196 PolarHBondContact O-N 2.63Å; V194-T196 VanDerWaalsContact O-N 3.15Å
195S88.1Confident90.7Very high125 Ų125100.2 Ų100.287%0.87450%0.503SS*.  trans-65114.1168.7-174.90000108.8
196T91Very high90.9Very high56 Ų56101.8 Ų101.834%0.34451%0.507SS..  trans-111155.3-178.553.10000111.1L190 V194 Q198L190-T196 HydrophobicContact CB-CG2 4.29Å; L190-T196 HydrophobicContact CD1-CG2 4.45Å; V194-T196 PolarHBondContact O-N 2.63Å; V194-T196 VanDerWaalsContact O-N 3.15Å; T196-Q198 PolarHBondContact O-N 3.12Å
197F93.3Very high91Very high115 Ų115101.2 Ų101.250%0.50450%0.504SS..  trans-60.4134.6174.6-176.8-95.8000110.4Y199 F202F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 HydrophobicContact CB-CD2 4.41Å; F197-Y199 HydrophobicContact CB-CE2 4Å; F197-Y199 AromaticContact CD1-CD1 3.71Å; F197-Y199 HydrophobicContact CD1-CD1 3.71Å; F197-Y199 HydrophobicContact CD1-CD2 4.06Å; F197-Y199 AromaticContact CD1-CE1 3.83Å; F197-Y199 HydrophobicContact CD1-CE1 3.83Å; F197-Y199 HydrophobicContact CD1-CE2 4.18Å; F197-Y199 AromaticContact CD1-CG 3.83Å; F197-Y199 HydrophobicContact CD1-CG 3.83Å; F197-Y199 HydrophobicContact CE1-CD1 4.15Å; F197-Y199 HydrophobicContact CE1-CE1 4.47Å; F197-Y199 HydrophobicContact CE1-CG 4.47Å; F197-Y199 WeakPolarHBondContact O-CD2 3.42Å; F197-Y199 WeakPolarHBondContact O-CE2 3.34Å; F197-Y199 PolarHBondContact O-N 3.02Å; F197-F202 HydrophobicContact CE1-CB 3.65Å; F197-F202 HydrophobicContact CE1-CD1 4.44Å; F197-F202 HydrophobicContact CE1-CD2 4.33Å; F197-F202 AromaticContact CE1-CG 3.9Å; F197-F202 HydrophobicContact CE1-CG 3.9Å; F197-F202 HydrophobicContact CZ-CB 3.79Å; F197-F202 AromaticContact CZ-CD2 3.75Å; F197-F202 HydrophobicContact CZ-CD2 3.75Å; F197-F202 AromaticContact CZ-CG 3.8Å; F197-F202 HydrophobicContact CZ-CG 3.8Å
198Q92.8Very high91.1Very high104 Ų104100.3 Ų100.349%0.48650%0.502SS..  trans-80.675.7-178.7-64.2-174-18.700110.8T196 D200 R201 F202T196-Q198 PolarHBondContact O-N 3.12Å; Q198-D200 PolarHBondContact O-N 3.43Å; Q198-R201 HydrophobicContact CB-CB 3.95Å; Q198-R201 PolarHBondContact O-N 3.44Å; Q198-R201 VanDerWaalsContact OE1-NH1 3.1Å; Q198-F202 PolarHBondContact O-N 3.32Å
199Y93.6Very high91.1Very high106 Ų10699.8 Ų99.842%0.41650%0.496SS..Hα-helixtrans-55.8-49.7-176.8-68.7-85.2000112.9L190 F197 R201 F202 F203L190-Y199 HydrophobicContact CD1-CD2 3.77Å; L190-Y199 HydrophobicContact CD1-CE2 3.9Å; F197-Y199 VanDerWaalsContact C-N 3.3Å; F197-Y199 HydrophobicContact CB-CD2 4.41Å; F197-Y199 HydrophobicContact CB-CE2 4Å; F197-Y199 AromaticContact CD1-CD1 3.71Å; F197-Y199 HydrophobicContact CD1-CD1 3.71Å; F197-Y199 HydrophobicContact CD1-CD2 4.06Å; F197-Y199 AromaticContact CD1-CE1 3.83Å; F197-Y199 HydrophobicContact CD1-CE1 3.83Å; F197-Y199 HydrophobicContact CD1-CE2 4.18Å; F197-Y199 AromaticContact CD1-CG 3.83Å; F197-Y199 HydrophobicContact CD1-CG 3.83Å; F197-Y199 HydrophobicContact CE1-CD1 4.15Å; F197-Y199 HydrophobicContact CE1-CE1 4.47Å; F197-Y199 HydrophobicContact CE1-CG 4.47Å; F197-Y199 WeakPolarHBondContact O-CD2 3.42Å; F197-Y199 WeakPolarHBondContact O-CE2 3.34Å; F197-Y199 PolarHBondContact O-N 3.02Å; Y199-R201 PolarHBondContact O-N 3.33Å; Y199-F202 WeakPolarHBondContact O-CB 3.44Å; Y199-F202 PolarHBondContact O-N 2.76Å; Y199-F202 VanDerWaalsContact O-N 3.15Å; Y199-F203 WeakPolarHBondContact O-CD2 3.3Å; Y199-F203 PolarHBondContact O-N 3.33Å
200D92.3Very high90.9Very high26 Ų2698.2 Ų98.214%0.13948%0.484CS..Hα-helixtrans-57.6-49.7-178.8-58.8-80.4000110.9L185 L186 Q187 Q198 F202 F203 E204L185-D200 HydrophobicContact CD2-CB 4.47Å; L186-D200 PolarHBondContact N-OD1 3.28Å; L186-D200 PolarHBondContact N-OD2 2.76Å; Q187-D200 PolarHBondContact N-OD2 2.96Å; Q198-D200 PolarHBondContact O-N 3.43Å; D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 2.95Å; D200-F203 PolarHBondContact O-N 2.64Å; D200-E204 WeakPolarHBondContact O-CG 3.36Å; D200-E204 PolarHBondContact O-N 3.45Å
201R92.4Very high90.7Very high167 Ų16798.7 Ų98.763%0.6348%0.484SS*.Hα-helixtrans-61.1-38.2177.4-169.8-176.7-178.4-177.91.7112.7Q198 Y199 K205Q198-R201 HydrophobicContact CB-CB 3.95Å; Q198-R201 PolarHBondContact O-N 3.44Å; Q198-R201 VanDerWaalsContact OE1-NH1 3.1Å; Y199-R201 PolarHBondContact O-N 3.33Å; R201-K205 WeakPolarHBondContact O-CB 3.42Å; R201-K205 PolarHBondContact O-N 3.08Å
202F94.9Very high90.5Very high85 Ų85101.6 Ų101.637%0.37350%0.495SS..Hα-helixtrans-62.7-46.3176.5173.6-94.6000111.4F197 Q198 Y199 D200 K205 K206F197-F202 HydrophobicContact CE1-CB 3.65Å; F197-F202 HydrophobicContact CE1-CD1 4.44Å; F197-F202 HydrophobicContact CE1-CD2 4.33Å; F197-F202 AromaticContact CE1-CG 3.9Å; F197-F202 HydrophobicContact CE1-CG 3.9Å; F197-F202 HydrophobicContact CZ-CB 3.79Å; F197-F202 AromaticContact CZ-CD2 3.75Å; F197-F202 HydrophobicContact CZ-CD2 3.75Å; F197-F202 AromaticContact CZ-CG 3.8Å; F197-F202 HydrophobicContact CZ-CG 3.8Å; Q198-F202 PolarHBondContact O-N 3.32Å; Y199-F202 WeakPolarHBondContact O-CB 3.44Å; Y199-F202 PolarHBondContact O-N 2.76Å; Y199-F202 VanDerWaalsContact O-N 3.15Å; D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 2.95Å; F202-K205 PolarHBondContact O-N 2.65Å; F202-K206 HydrophobicContact CD1-CG 4.47Å; F202-K206 HydrophobicContact CE1-CG 4.02Å; F202-K206 HydrophobicContact CZ-CG 4.07Å; F202-K206 PolarHBondContact O-N 3.23Å
203F93.9Very high90.2Very high108 Ų10894.1 Ų94.147%0.47447%0.465SS..Hα-helixtrans-68.5-39.8179.1-66.8-55.4000112.4L186 Y199 D200 K205 K206 I207L186-F203 HydrophobicContact CD1-CD2 4.27Å; L186-F203 HydrophobicContact CD1-CE2 3.93Å; Y199-F203 WeakPolarHBondContact O-CD2 3.3Å; Y199-F203 PolarHBondContact O-N 3.33Å; D200-F203 PolarHBondContact O-N 2.64Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 2.85Å; F203-K206 PolarHBondContact O-N 3.16Å; F203-K206 VanDerWaalsContact O-N 3.17Å; F203-I207 WeakPolarHBondContact O-CG1 3.34Å; F203-I207 PolarHBondContact O-N 2.97Å
204E92.1Very high90Very high111 Ų11194.3 Ų94.352%0.51945%0.454SS..Hα-helixtrans-56-48.8172-73.6174.9166.400111.1D200 K206 I207 D208D200-E204 WeakPolarHBondContact O-CG 3.36Å; D200-E204 PolarHBondContact O-N 3.45Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.28Å; E204-I207 WeakPolarHBondContact O-CB 3.27Å; E204-I207 PolarHBondContact O-N 3.16Å; E204-D208 PolarHBondContact O-N 3.01Å
205K94.3Very high89.7Confident133 Ų13390.3 Ų90.358%0.57843%0.43SS*.Hα-helixtrans-58.3-40.5176.4-174.5178.4177.7-179.90112.3R201 F202 F203 I207 D208 E209R201-K205 WeakPolarHBondContact O-CB 3.42Å; R201-K205 PolarHBondContact O-N 3.08Å; F202-K205 PolarHBondContact O-N 2.65Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 2.85Å; K205-I207 VanDerWaalsContact C-N 3.31Å; K205-I207 PolarHBondContact O-N 3.35Å; K205-D208 PolarHBondContact O-N 3.47Å; K205-E209 WeakPolarHBondContact O-CG 3.44Å; K205-E209 PolarHBondContact O-N 3.34Å
206K92.8Very high89.7Confident86 Ų8687.5 Ų87.537%0.37440%0.401SS..Hα-helixtrans-65-32175.7-72.2-47.7-171.5-170.10113.6F202 F203 E204 E209F202-K206 HydrophobicContact CD1-CG 4.47Å; F202-K206 HydrophobicContact CE1-CG 4.02Å; F202-K206 HydrophobicContact CZ-CG 4.07Å; F202-K206 PolarHBondContact O-N 3.23Å; F203-K206 PolarHBondContact O-N 3.16Å; F203-K206 VanDerWaalsContact O-N 3.17Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.28Å; K206-E209 WeakPolarHBondContact CD-OE2 3.41Å; K206-E209 VanDerWaalsContact NZ-CD 3.27Å; K206-E209 IonicContact NZ-OE1 3.15Å; K206-E209 PolarHBondContact NZ-OE1 3.08Å; K206-E209 IonicContact NZ-OE2 2.65Å; K206-E209 PolarHBondContact NZ-OE2 3.44Å
207I91.6Very high89.5Confident64 Ų6490.9 Ų90.933%0.32841%0.407SS..Hα-helixtrans-73.6-41.7173.4-65.1-54.9000110.9F203 E204 K205 E209 K210 K211 Y216F203-I207 WeakPolarHBondContact O-CG1 3.34Å; F203-I207 PolarHBondContact O-N 2.97Å; E204-I207 WeakPolarHBondContact O-CB 3.27Å; E204-I207 PolarHBondContact O-N 3.16Å; K205-I207 VanDerWaalsContact C-N 3.31Å; K205-I207 PolarHBondContact O-N 3.35Å; I207-E209 VanDerWaalsContact C-N 3.31Å; I207-E209 PolarHBondContact O-N 3.47Å; I207-K210 PolarHBondContact O-N 2.85Å; I207-K210 VanDerWaalsContact O-N 3.08Å; I207-K211 HydrophobicContact CG2-CD 4.21Å; I207-K211 HydrophobicContact CG2-CG 4.43Å; I207-K211 PolarHBondContact O-N 3.46Å; I207-Y216 HydrophobicContact CD1-CE2 4.35Å; I207-Y216 HydrophobicContact CG2-CD2 4.1Å; I207-Y216 HydrophobicContact CG2-CE2 3.79Å
208D90.6Very high89.2Confident74 Ų7486.9 Ų86.940%0.39639%0.392SS..Hα-helixtrans-63.5-37.9177.7-67.6-20.2000111.7E204 K205 K210 K211 N212E204-D208 PolarHBondContact O-N 3.01Å; K205-D208 PolarHBondContact O-N 3.47Å; D208-K210 VanDerWaalsContact C-N 3.27Å; D208-K210 PolarHBondContact O-N 3.42Å; D208-K211 PolarHBondContact O-N 2.95Å; D208-K211 VanDerWaalsContact O-N 3.16Å; D208-N212 WeakPolarHBondContact O-CB 3.49Å; D208-N212 PolarHBondContact O-N 3.17Å; D208-N212 PolarHBondContact O-ND2 3.03Å
209E90.4Very high89.1Confident85 Ų8589.2 Ų89.240%0.39740%0.401SS..Hα-helixtrans-52.6-43.5170.4-76.3171.2-161.800111.7K205 K206 I207 D213K205-E209 WeakPolarHBondContact O-CG 3.44Å; K205-E209 PolarHBondContact O-N 3.34Å; K206-E209 WeakPolarHBondContact CD-OE2 3.41Å; K206-E209 VanDerWaalsContact NZ-CD 3.27Å; K206-E209 IonicContact NZ-OE1 3.15Å; K206-E209 PolarHBondContact NZ-OE1 3.08Å; K206-E209 IonicContact NZ-OE2 2.65Å; K206-E209 PolarHBondContact NZ-OE2 3.44Å; I207-E209 VanDerWaalsContact C-N 3.31Å; I207-E209 PolarHBondContact O-N 3.47Å; E209-D213 WeakPolarHBondContact O-CB 3.44Å; E209-D213 PolarHBondContact O-N 3.25Å
210K86.2Confident89.1Confident85 Ų8586.1 Ų86.137%0.3739%0.39SS..Hα-helixtrans-73.4-34.9177.9-74.9-169.6163.3-67.10113.7I207 D208 H214 T215 Y216I207-K210 PolarHBondContact O-N 2.85Å; I207-K210 VanDerWaalsContact O-N 3.08Å; D208-K210 VanDerWaalsContact C-N 3.27Å; D208-K210 PolarHBondContact O-N 3.42Å; K210-H214 PolarHBondContact O-N 2.88Å; K210-T215 PolarHBondContact O-N 3.33Å; K210-Y216 HydrophobicContact CB-CD2 4.29Å; K210-Y216 PolarHBondContact O-N 3.29Å
211K86.6Confident89.2Confident60 Ų6087.4 Ų87.426%0.26140%0.398SS..Hα-helixtrans-68.3-46.5178.9-73.7176.6176.6174.60111I207 D208 D213 H214 Y216I207-K211 HydrophobicContact CG2-CD 4.21Å; I207-K211 HydrophobicContact CG2-CG 4.43Å; I207-K211 PolarHBondContact O-N 3.46Å; D208-K211 PolarHBondContact O-N 2.95Å; D208-K211 VanDerWaalsContact O-N 3.16Å; K211-D213 PolarHBondContact O-N 3.04Å; K211-H214 PolarHBondContact O-N 3.3Å; K211-H214 VanDerWaalsContact O-N 3.12Å; K211-Y216 HydrophobicContact CG-CD1 4.36Å; K211-Y216 HydrophobicContact CG-CD2 4.12Å; K211-Y216 HydrophobicContact CG-CG 3.86Å
212N85.9Confident89.3Confident133 Ų13381.4 Ų81.471%0.71138%0.38SS*.Hα-helixtrans-63.3-26.7178.4-66.2-16.2000112.3D208D208-N212 WeakPolarHBondContact O-CB 3.49Å; D208-N212 PolarHBondContact O-N 3.17Å; D208-N212 PolarHBondContact O-ND2 3.03Å
213D79.6Confident89.4Confident52 Ų5281.8 Ų81.828%0.27839%0.386SS..THydrogen-bonded Turntrans-932.9-179.8-176.347.2000113.6E209 K211 T215 R565E209-D213 WeakPolarHBondContact O-CB 3.44Å; E209-D213 PolarHBondContact O-N 3.25Å; K211-D213 PolarHBondContact O-N 3.04Å; D213-T215 WeakPolarHBondContact O-CG2 3.46Å; D213-T215 PolarHBondContact O-N 3.5Å; D213-T215 WeakPolarHBondContact OD2-CG2 3.29Å; D213-T215 PolarHBondContact OD2-OG1 3.07Å; D213-R565 VanDerWaalsContact CG-NH1 3.27Å; D213-R565 IonicContact OD1-CZ 2.82Å; D213-R565 VanDerWaalsContact OD1-CZ 3.23Å; D213-R565 IonicContact OD1-NH1 3.61Å; D213-R565 PolarHBondContact OD1-NH1 3.22Å; D213-R565 IonicContact OD1-NH2 2.74Å; D213-R565 PolarHBondContact OD1-NH2 2.89Å; D213-R565 VanDerWaalsContact OD1-NH2 3.15Å; D213-R565 IonicContact OD2-CZ 3.71Å; D213-R565 IonicContact OD2-NH1 3.84Å; D213-R565 PolarHBondContact OD2-NH1 3.01Å; D213-R565 VanDerWaalsContact OD2-NH1 3.15Å; D213-R565 IonicContact OD2-NH2 2.99Å; D213-R565 PolarHBondContact OD2-NH2 3.37Å
214H81.9Confident89.6Confident114 Ų11481.2 Ų81.253%0.52838%0.381SS..THydrogen-bonded Turntrans54.523.9-176.6-60.2-84.7000114.4K210 K211 A537K210-H214 PolarHBondContact O-N 2.88Å; K211-H214 PolarHBondContact O-N 3.3Å; K211-H214 VanDerWaalsContact O-N 3.12Å; H214-A537 HydrophobicContact CB-CB 4.34Å
215T80.5Confident89.9Confident7 Ų778.7 Ų78.74%0.04337%0.366CS..  trans-107.82.1176.461.30000112.8K210 D213 Y560K210-T215 PolarHBondContact O-N 3.33Å; D213-T215 WeakPolarHBondContact O-CG2 3.46Å; D213-T215 PolarHBondContact O-N 3.5Å; D213-T215 WeakPolarHBondContact OD2-CG2 3.29Å; D213-T215 PolarHBondContact OD2-OG1 3.07Å; T215-Y560 HydrophobicContact CG2-CD1 3.98Å; T215-Y560 HydrophobicContact CG2-CG 4.4Å
216Y87.1Confident90Very high67 Ų6775.1 Ų75.126%0.26336%0.362SS..  trans-67.3131.6168.2-173.6-94.5000110.2F170 M174 I207 K210 K211 V218F170-Y216 HydrophobicContact CZ-CD1 4.44Å; M174-Y216 HydrophobicContact CE-CE1 3.5Å; M174-Y216 VanDerWaalsContact CE-CE1 3.5Å; M174-Y216 WeakPolarHBondContact CE-OH 3.39Å; M174-Y216 HydrophobicContact SD-CD1 4.11Å; M174-Y216 HydrophobicContact SD-CE1 3.31Å; M174-Y216 WeakPolarHBondContact SD-CE1 3.21Å; I207-Y216 HydrophobicContact CD1-CE2 4.35Å; I207-Y216 HydrophobicContact CG2-CD2 4.1Å; I207-Y216 HydrophobicContact CG2-CE2 3.79Å; K210-Y216 HydrophobicContact CB-CD2 4.29Å; K210-Y216 PolarHBondContact O-N 3.29Å; K211-Y216 HydrophobicContact CG-CD1 4.36Å; K211-Y216 HydrophobicContact CG-CD2 4.12Å; K211-Y216 HydrophobicContact CG-CG 3.86Å; Y216-V218 HydrophobicContact CD1-CG2 4.13Å; Y216-V218 HydrophobicContact CE1-CG2 3.93Å
217R86.9Confident90.1Very high126 Ų12677.3 Ų77.348%0.47537%0.373SS..  trans-106120.2-172.8-64.2178.9-179.1-171.7-7.6110.2F219 T562R217-F219 HydrophobicContact CB-CD1 4.48Å; R217-F219 HydrophobicContact CB-CE1 4.05Å; R217-T562 PolarHBondContact NH2-OG1 3.13Å
218V87.6Confident90.4Very high32 Ų3277.8 Ų77.819%0.19438%0.376CS..  trans-100.1115.4164.7-176.70000107.1F170 I173 M174 Y216F170-V218 HydrophobicContact CE2-CG2 4.11Å; F170-V218 HydrophobicContact CZ-CG2 3.96Å; I173-V218 HydrophobicContact CG2-CG1 3.89Å; M174-V218 HydrophobicContact CE-CG2 4.01Å; M174-V218 HydrophobicContact SD-CG2 4.46Å; Y216-V218 HydrophobicContact CD1-CG2 4.13Å; Y216-V218 HydrophobicContact CE1-CG2 3.93Å
219F90.9Very high90.7Very high153 Ų15375.4 Ų75.467%0.67136%0.362SS*.  trans-73.8137-178.2-60.4-40.8000111.3R217R217-F219 HydrophobicContact CB-CD1 4.48Å; R217-F219 HydrophobicContact CB-CE1 4.05Å
220K92.3Very high91Very high41 Ų4171.7 Ų71.718%0.17835%0.345CS..  trans-77.9126.4169.6-57.8-57.2-174.2-175.60109.2V222 S236 D545 M548 Y554K220-V222 PolarHBondContact O-N 3.12Å; K220-S236 WeakPolarHBondContact CA-OG 3.34Å; K220-D545 WeakPolarHBondContact CE-OD1 3.29Å; K220-D545 IonicContact NZ-OD1 3.4Å; K220-D545 PolarHBondContact NZ-OD1 3.15Å; K220-D545 IonicContact NZ-OD2 3.11Å; K220-M548 HydrophobicContact CB-CE 3.91Å; K220-M548 HydrophobicContact CB-SD 4.09Å; K220-M548 HydrophobicContact CD-CE 4.16Å; K220-M548 HydrophobicContact CD-SD 3.66Å; K220-M548 HydrophobicContact CG-CE 4.17Å; K220-M548 HydrophobicContact CG-SD 3.7Å; K220-Y554 HydrophobicContact CB-CE2 4.16Å; K220-Y554 HydrophobicContact CG-CE2 3.95Å
221T94.4Very high91.6Very high53 Ų5369.4 Ų69.433%0.32534%0.336SS..  trans-92.299.3-174.5-55.10000109.6Y235 S236T221-Y235 PolarHBondContact O-N 3.45Å; T221-S236 PolarHBondContact N-OG 2.89Å; T221-S236 VanDerWaalsContact N-OG 3.11Å
222V95.3Very high92.1Very high41 Ų4166.6 Ų66.625%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-126.1131.3-172.5-64.70000113K220 A232 D233 D234 M548 Y554K220-V222 PolarHBondContact O-N 3.12Å; V222-A232 HydrophobicContact CB-CB 4.39Å; V222-D233 CarbonylContact C-O 3.38Å; V222-D233 WeakPolarHBondContact CA-O 3.47Å; V222-D234 HydrophobicContact CG1-CB 4.45Å; V222-M548 HydrophobicContact CG1-CE 3.98Å; V222-Y554 HydrophobicContact CG1-CD1 4.22Å; V222-Y554 HydrophobicContact CG1-CE1 4.37Å; V222-Y554 HydrophobicContact CG2-CD1 4.43Å; V222-Y554 HydrophobicContact CG2-CE1 4.04Å
223N97.3Very high92.7Very high92 Ų9261.1 Ų61.149%0.49230%0.295SS..EExtended strand (participates in β ladder)trans-106.7102.1172.3-73.2-16.2000109.8R225 A232 D233 Y235N223-R225 PolarHBondContact O-N 3.47Å; N223-A232 CarbonylContact O-C 3.33Å; N223-A232 VanDerWaalsContact O-CA 3.29Å; N223-A232 WeakPolarHBondContact O-CA 3.34Å; N223-A232 WeakPolarHBondContact O-CB 3.42Å; N223-D233 HydrophobicContact CB-CB 4.36Å; N223-D233 PolarHBondContact N-O 3.21Å; N223-D233 PolarHBondContact O-N 3.23Å; N223-Y235 HydrophobicContact CB-CE2 4.32Å
224R97.9Very high93.4Very high96 Ų9658.8 Ų58.836%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-63.5133.7178.1-67.1172.257.7-131.1-12.1110.9A232 D252 S257R224-A232 HydrophobicContact CG-CB 4.41Å; R224-D252 IonicContact CZ-OD2 3.76Å; R224-D252 IonicContact NH1-OD2 3.73Å; R224-D252 IonicContact NH2-OD2 3.48Å; R224-D252 PolarHBondContact NH2-OD2 3.03Å; R224-S257 PolarHBondContact NH1-OG 3.05Å; R224-S257 VanDerWaalsContact NH1-OG 3.15Å; R224-S257 PolarHBondContact NH2-OG 3.22Å; R224-S257 VanDerWaalsContact NH2-OG 3.08Å
225R97.4Very high93.9Very high58 Ų5855.7 Ų55.722%0.21927%0.266CS..  trans-94.4113-175.9-62.1-179.379.7-167.10.4110.7N223 H227 I228 F229 M231 D233N223-R225 PolarHBondContact O-N 3.47Å; R225-H227 VanDerWaalsContact C-N 3.34Å; R225-H227 PolarHBondContact NE-CE1 3.14Å; R225-H227 VanDerWaalsContact NE-CE1 3.29Å; R225-H227 PolarHBondContact NH2-NE2 2.93Å; R225-H227 PolarHBondContact O-N 2.73Å; R225-I228 CarbonylContact O-C 3.59Å; R225-I228 PolarHBondContact O-N 3.35Å; R225-F229 PolarHBondContact O-N 2.99Å; R225-M231 PolarHBondContact N-O 3.34Å; R225-D233 WeakPolarHBondContact CD-OD1 3.32Å; R225-D233 IonicContact NE-OD1 3.05Å
226A96.8Very high94.1Very high59 Ų5956.4 Ų56.449%0.48827%0.272SS..G310 helixtrans-61.1-39.2-177.200000113.4R258A226-R258 HydrophobicContact CB-CB 3.76Å; A226-R258 WeakPolarHBondContact O-CB 3.41Å
227H95.8Very high93.9Very high132 Ų13256.8 Ų56.861%0.61128%0.278SS*.G310 helixtrans-78.2-16.2-176.759.7-63.2000114.3R225R225-H227 VanDerWaalsContact C-N 3.34Å; R225-H227 PolarHBondContact NE-CE1 3.14Å; R225-H227 VanDerWaalsContact NE-CE1 3.29Å; R225-H227 PolarHBondContact NH2-NE2 2.93Å; R225-H227 PolarHBondContact O-N 2.73Å
228I96.2Very high93.6Very high74 Ų7452.7 Ų52.738%0.37927%0.269SS..G310 helixtrans-138.159179.9-50.1168.4000108.7R225 M231R225-I228 CarbonylContact O-C 3.59Å; R225-I228 PolarHBondContact O-N 3.35Å; I228-M231 HydrophobicContact CG2-CB 4.31Å; I228-M231 HydrophobicContact CG2-CG 3.77Å; I228-M231 WeakPolarHBondContact O-CA 3.1Å; I228-M231 WeakPolarHBondContact O-CB 3.33Å; I228-M231 WeakPolarHBondContact O-CG 3.1Å; I228-M231 PolarHBondContact O-N 3.27Å
229F97.3Very high93.4Very high23 Ų2357.9 Ų57.910%0.10130%0.295CS..THydrogen-bonded Turntrans-70.2136.1173.6178.9-87.6000110.2R225 R258 T575 H577R225-F229 PolarHBondContact O-N 2.99Å; F229-R258 HydrophobicContact CB-CG 3.93Å; F229-R258 HydrophobicContact CD2-CG 4.31Å; F229-R258 HydrophobicContact CG-CG 4.23Å; F229-T575 HydrophobicContact CE1-CG2 4.28Å; F229-T575 WeakPolarHBondContact CE1-OG1 3.46Å; F229-T575 HydrophobicContact CZ-CG2 4.03Å; F229-H577 HydrophobicContact CD1-CB 3.56Å; F229-H577 AromaticContact CD1-CD2 3.57Å; F229-H577 AromaticContact CD1-CG 3.67Å; F229-H577 HydrophobicContact CE1-CB 3.75Å; F229-H577 AromaticContact CE1-CD2 3.42Å; F229-H577 VanDerWaalsContact CE1-CD2 3.42Å; F229-H577 WeakPolarHBondContact CE1-CD2 3.31Å; F229-H577 AromaticContact CE1-CG 3.86Å
230P97.6Very high93Very high7 Ų758 Ų585%0.04530%0.301CS..THydrogen-bonded Turncis-10134.31338.8-34.9000115V247 H578 M582P230-V247 WeakPolarHBondContact O-CB 3.37Å; P230-V247 PolarHBondContact O-N 2.71Å; P230-H578 VanDerWaalsContact CG-NE2 3.31Å; P230-H578 WeakPolarHBondContact CG-NE2 3.17Å; P230-M582 HydrophobicContact CG-CE 3.71Å
231M98.2Very high92.6Very high38 Ų3860.5 Ų60.519%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-81.9155.2179.2-50.3-58.2-68.600112.6R225 I228 Q244 V245 M582R225-M231 PolarHBondContact N-O 3.34Å; I228-M231 HydrophobicContact CG2-CB 4.31Å; I228-M231 HydrophobicContact CG2-CG 3.77Å; I228-M231 WeakPolarHBondContact O-CA 3.1Å; I228-M231 WeakPolarHBondContact O-CB 3.33Å; I228-M231 WeakPolarHBondContact O-CG 3.1Å; I228-M231 PolarHBondContact O-N 3.27Å; M231-Q244 HydrophobicContact CB-CG 4.45Å; M231-Q244 HydrophobicContact CE-CG 3.81Å; M231-V245 CarbonylContact C-O 3.49Å; M231-V245 VanDerWaalsContact CA-O 3.3Å; M231-V245 WeakPolarHBondContact CA-O 3.5Å; M231-V245 WeakPolarHBondContact CE-O 3.28Å; M231-M582 HydrophobicContact SD-CE 4.14Å
232A97.8Very high92.4Very high0 Ų063.1 Ų63.10%033%0.327CS..EExtended strand (participates in β ladder)trans-138.5158.5175.400000111.8V222 N223 R224 Q244 V245 V247V222-A232 HydrophobicContact CB-CB 4.39Å; N223-A232 CarbonylContact O-C 3.33Å; N223-A232 VanDerWaalsContact O-CA 3.29Å; N223-A232 WeakPolarHBondContact O-CA 3.34Å; N223-A232 WeakPolarHBondContact O-CB 3.42Å; R224-A232 HydrophobicContact CG-CB 4.41Å; A232-Q244 WeakPolarHBondContact O-CA 3.34Å; A232-V245 HydrophobicContact CB-CG2 4.04Å; A232-V245 PolarHBondContact N-O 2.93Å; A232-V245 PolarHBondContact O-N 3.35Å; A232-V247 HydrophobicContact CB-CG2 3.54Å
233D96.8Very high92.2Very high18 Ų1864.9 Ų64.910%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-91.9120165.9-69.7-22.2000108.2V222 N223 R225 Y235 K242 K243V222-D233 CarbonylContact C-O 3.38Å; V222-D233 WeakPolarHBondContact CA-O 3.47Å; N223-D233 HydrophobicContact CB-CB 4.36Å; N223-D233 PolarHBondContact N-O 3.21Å; N223-D233 PolarHBondContact O-N 3.23Å; R225-D233 WeakPolarHBondContact CD-OD1 3.32Å; R225-D233 IonicContact NE-OD1 3.05Å; D233-Y235 HydrophobicContact CB-CE2 3.73Å; D233-K242 HydrophobicContact CB-CB 4.32Å; D233-K242 HydrophobicContact CB-CD 4.2Å; D233-K242 IonicContact OD1-NZ 2.64Å; D233-K242 IonicContact OD2-NZ 2.76Å; D233-K242 PolarHBondContact OD2-NZ 3.09Å; D233-K243 CarbonylContact C-O 3.57Å
234D94.4Very high92.1Very high4 Ų464.7 Ų64.72%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-96.7134.1177.2173.736.2000111.6V222 S236 K242 K243 V245 M548V222-D234 HydrophobicContact CG1-CB 4.45Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 2.9Å; D234-S236 PolarHBondContact OD1-OG 3.41Å; D234-K242 WeakPolarHBondContact O-CA 3.33Å; D234-K243 PolarHBondContact N-O 3.19Å; D234-K243 PolarHBondContact O-N 3.15Å; D234-V245 HydrophobicContact CB-CG1 3.78Å; D234-V245 HydrophobicContact CB-CG2 4.07Å; D234-M548 HydrophobicContact CB-CE 3.97Å; D234-M548 WeakPolarHBondContact OD1-CE 3.48Å; D234-M548 VanDerWaalsContact OD2-CE 3.26Å; D234-M548 WeakPolarHBondContact OD2-CE 3.21Å
235Y92.8Very high92.1Very high48 Ų4860.1 Ų60.119%0.18831%0.31CS..  trans-12516.7-179.8-63.3-90000112.4T221 N223 D233 D237 S238 K242T221-Y235 PolarHBondContact O-N 3.45Å; N223-Y235 HydrophobicContact CB-CE2 4.32Å; D233-Y235 HydrophobicContact CB-CE2 3.73Å; Y235-D237 VanDerWaalsContact C-N 3.33Å; Y235-D237 PolarHBondContact O-N 2.85Å; Y235-S238 CarbonylContact C-O 3.38Å; Y235-S238 VanDerWaalsContact CA-O 3.3Å; Y235-S238 WeakPolarHBondContact CA-O 3.34Å; Y235-S238 WeakPolarHBondContact CB-O 3.27Å; Y235-S238 CarbonylContact O-C 3.55Å; Y235-S238 PolarHBondContact O-N 2.94Å; Y235-K242 HydrophobicContact CD1-CB 4.29Å; Y235-K242 HydrophobicContact CE1-CB 3.7Å; Y235-K242 HydrophobicContact CE2-CB 4.32Å
236S85.3Confident92.1Very high23 Ų2357.9 Ų57.916%0.16130%0.303CS..SBendtrans-64.9-34.8-174.3-57.20000112.9K220 T221 D234 M548K220-S236 WeakPolarHBondContact CA-OG 3.34Å; T221-S236 PolarHBondContact N-OG 2.89Å; T221-S236 VanDerWaalsContact N-OG 3.11Å; D234-S236 WeakPolarHBondContact OD1-CB 3.45Å; D234-S236 PolarHBondContact OD1-N 2.9Å; D234-S236 PolarHBondContact OD1-OG 3.41Å; S236-M548 WeakPolarHBondContact OG-CE 3.35Å
237D82.2Confident92.2Very high74 Ų7455.5 Ų55.540%0.39628%0.283SS..SBendtrans-85.1-30.9177.8-63.7-23.5000113Y235 K243Y235-D237 VanDerWaalsContact C-N 3.33Å; Y235-D237 PolarHBondContact O-N 2.85Å; D237-K243 IonicContact OD2-NZ 3.94Å; D237-K243 PolarHBondContact OD2-NZ 3.25Å
238S82Confident92.4Very high40 Ų4049.3 Ų49.328%0.2825%0.254SS..  trans-155131.1-175.2176.70000110.9Y235 I240 T241Y235-S238 CarbonylContact C-O 3.38Å; Y235-S238 VanDerWaalsContact CA-O 3.3Å; Y235-S238 WeakPolarHBondContact CA-O 3.34Å; Y235-S238 WeakPolarHBondContact CB-O 3.27Å; Y235-S238 CarbonylContact O-C 3.55Å; Y235-S238 PolarHBondContact O-N 2.94Å; S238-I240 PolarHBondContact O-N 3.48Å; S238-I240 PolarHBondContact OG-N 2.88Å; S238-T241 PolarHBondContact OG-N 3.48Å; S238-T241 VanDerWaalsContact OG-N 3.12Å
239L82.1Confident92.5Very high141 Ų14146.8 Ų46.874%0.73824%0.243SC*.SBendtrans-73-11.1173.9-64.6179.7000113.2
240I82.2Confident92.5Very high155 Ų15546.8 Ų46.880%0.79525%0.245SC*.SBendtrans-101.5-45.6-178.2-56.8173000110.2S238S238-I240 PolarHBondContact O-N 3.48Å; S238-I240 PolarHBondContact OG-N 2.88Å
241T84.2Confident92.5Very high95 Ų9548.8 Ų48.858%0.58326%0.256SS*.SBendtrans-94.9119.1-175.6-50.20000110.1S238S238-T241 PolarHBondContact OG-N 3.48Å; S238-T241 VanDerWaalsContact OG-N 3.12Å
242K90.6Very high92.5Very high107 Ų10747.3 Ų47.347%0.46525%0.248SC..  trans-94141.4177.272.6-173-164.1164.30112.6D233 D234 Y235D233-K242 HydrophobicContact CB-CB 4.32Å; D233-K242 HydrophobicContact CB-CD 4.2Å; D233-K242 IonicContact OD1-NZ 2.64Å; D233-K242 IonicContact OD2-NZ 2.76Å; D233-K242 PolarHBondContact OD2-NZ 3.09Å; D234-K242 WeakPolarHBondContact O-CA 3.33Å; Y235-K242 HydrophobicContact CD1-CB 4.29Å; Y235-K242 HydrophobicContact CE1-CB 3.7Å; Y235-K242 HydrophobicContact CE2-CB 4.32Å
243K92.2Very high92.6Very high78 Ų7847.3 Ų47.334%0.33925%0.248SC..EExtended strand (participates in β ladder)trans-111.8142.5166.8-67.3176.3-178.31710109.5D233 D234 D237D233-K243 CarbonylContact C-O 3.57Å; D234-K243 PolarHBondContact N-O 3.19Å; D234-K243 PolarHBondContact O-N 3.15Å; D237-K243 IonicContact OD2-NZ 3.94Å; D237-K243 PolarHBondContact OD2-NZ 3.25Å
244Q95.1Very high92.7Very high89 Ų8946.5 Ų46.542%0.41624%0.244SC..EExtended strand (participates in β ladder)trans-86.8127.5176.5-176.2176.611.400109.6M231 A232 N552M231-Q244 HydrophobicContact CB-CG 4.45Å; M231-Q244 HydrophobicContact CE-CG 3.81Å; A232-Q244 WeakPolarHBondContact O-CA 3.34Å; Q244-N552 WeakPolarHBondContact O-CB 3.45Å
245V97.3Very high92.9Very high0 Ų046.5 Ų46.50%025%0.245CC..EExtended strand (participates in β ladder)trans-127.5152-179.7-56.90000112.1M231 A232 D234 N552M231-V245 CarbonylContact C-O 3.49Å; M231-V245 VanDerWaalsContact CA-O 3.3Å; M231-V245 WeakPolarHBondContact CA-O 3.5Å; M231-V245 WeakPolarHBondContact CE-O 3.28Å; A232-V245 HydrophobicContact CB-CG2 4.04Å; A232-V245 PolarHBondContact N-O 2.93Å; A232-V245 PolarHBondContact O-N 3.35Å; D234-V245 HydrophobicContact CB-CG1 3.78Å; D234-V245 HydrophobicContact CB-CG2 4.07Å; V245-N552 CarbonylContact C-O 3.55Å; V245-N552 VanDerWaalsContact CA-O 3.25Å; V245-N552 WeakPolarHBondContact CA-O 3.37Å; V245-N552 WeakPolarHBondContact CB-O 3.43Å; V245-N552 HydrophobicContact CG1-CB 4.17Å
246S98.3Very high93.1Very high11 Ų1144.2 Ų44.28%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-90.3134169.661.50000110.4W248 N552 Y554S246-W248 PolarHBondContact OG-NE1 3.45Å; S246-N552 PolarHBondContact N-O 2.97Å; S246-N552 PolarHBondContact OG-O 2.68Å; S246-Y554 PolarHBondContact O-N 3.35Å
247V98.6Very high93.8Very high9 Ų945.1 Ų45.16%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-104.9116.7-174.2-176.70000111.9P230 A232 Y554 H578P230-V247 WeakPolarHBondContact O-CB 3.37Å; P230-V247 PolarHBondContact O-N 2.71Å; A232-V247 HydrophobicContact CB-CG2 3.54Å; V247-Y554 HydrophobicContact CG1-CD1 3.98Å; V247-Y554 HydrophobicContact CG2-CD1 4.25Å; V247-H578 PolarHBondContact O-CE1 3.3Å; V247-H578 PolarHBondContact O-NE2 3.44Å; V247-H578 VanDerWaalsContact O-NE2 3.1Å
248W98.6Very high94.5Very high1 Ų144.6 Ų44.60%0.00424%0.235CC..SBendtrans-111.8-1-175.1-6683.6000114.3S246 M511 Y554 V555 I572 A573 H578 M582 M583 F586S246-W248 PolarHBondContact OG-NE1 3.45Å; W248-M511 HydrophobicContact CZ3-CE 4.31Å; W248-M511 HydrophobicContact CZ3-SD 4.26Å; W248-Y554 PolarHBondContact N-O 3.37Å; W248-V555 HydrophobicContact CB-CB 4.32Å; W248-I572 HydrophobicContact CE3-CG2 4.22Å; W248-A573 PolarHBondContact O-N 3.02Å; W248-H578 AromaticContact CD2-CD2 3.7Å; W248-H578 AromaticContact CD2-NE2 3.69Å; W248-H578 AromaticContact CE2-CD2 3.61Å; W248-H578 AromaticContact CE2-NE2 3.87Å; W248-H578 AromaticContact CE3-CD2 3.64Å; W248-H578 AromaticContact CE3-NE2 3.87Å; W248-H578 HydrophobicContact CH2-CB 4.13Å; W248-H578 AromaticContact CH2-CD2 3.43Å; W248-H578 VanDerWaalsContact CH2-CD2 3.43Å; W248-H578 WeakPolarHBondContact CH2-CD2 3.39Å; W248-H578 AromaticContact CZ2-CD2 3.5Å; W248-H578 HydrophobicContact CZ3-CB 4.17Å; W248-H578 AromaticContact CZ3-CD2 3.51Å; W248-H578 AromaticContact CZ3-CG 3.93Å; W248-M582 HydrophobicContact CH2-CB 4.16Å; W248-M582 HydrophobicContact CZ2-CB 3.93Å; W248-M582 WeakPolarHBondContact CZ2-O 3.1Å; W248-M583 HydrophobicContact CH2-CB 4.34Å; W248-M583 HydrophobicContact CH2-CG 3.88Å; W248-M583 HydrophobicContact CZ3-CG 4.13Å; W248-F586 HydrophobicContact CB-CD2 4.32Å; W248-F586 HydrophobicContact CB-CE2 3.88Å; W248-F586 AromaticContact CD1-CD2 3.64Å; W248-F586 AromaticContact CD1-CE2 3.95Å; W248-F586 HydrophobicContact CD2-CB 4.45Å; W248-F586 AromaticContact CD2-CD2 3.45Å; W248-F586 HydrophobicContact CD2-CD2 3.45Å; W248-F586 VanDerWaalsContact CD2-CD2 3.45Å; W248-F586 AromaticContact CD2-CE2 3.88Å; W248-F586 HydrophobicContact CD2-CE2 3.88Å; W248-F586 HydrophobicContact CD2-CG 4.08Å; W248-F586 AromaticContact CE2-CD2 3.49Å; W248-F586 VanDerWaalsContact CE2-CD2 3.49Å; W248-F586 AromaticContact CE2-CG 3.98Å; W248-F586 HydrophobicContact CE3-CD2 4.04Å; W248-F586 HydrophobicContact CE3-CE2 4.4Å; W248-F586 HydrophobicContact CE3-CG 4.3Å; W248-F586 AromaticContact CG-CD2 3.55Å; W248-F586 HydrophobicContact CG-CD2 3.55Å; W248-F586 AromaticContact CG-CE2 3.62Å; W248-F586 HydrophobicContact CG-CE2 3.62Å; W248-F586 HydrophobicContact CH2-CB 3.91Å; W248-F586 HydrophobicContact CH2-CG 4.38Å; W248-F586 HydrophobicContact CZ2-CB 3.59Å; W248-F586 HydrophobicContact CZ2-CD2 4.11Å; W248-F586 HydrophobicContact CZ2-CG 4.13Å; W248-F586 HydrophobicContact CZ3-CB 4.44Å; W248-F586 HydrophobicContact CZ3-CG 4.45Å; W248-F586 AromaticContact NE1-CD2 3.59Å
249C98Very high95.3Very high22 Ų2243.9 Ų43.915%0.14923%0.227CC..SBendtrans-117.68.9-177.559.30000113.6Y554 Q556C249-Y554 VanDerWaalsContact SG-CE1 3.5Å; C249-Q556 HydrophobicContact CB-CB 3.98Å
250S98.2Very high96.1Very high22 Ų2241.7 Ų41.715%0.15422%0.221CC..  trans-71.3145178.5-169.80000111.6D252 A573S250-D252 PolarHBondContact OG-N 3.4Å; S250-A573 WeakPolarHBondContact O-CB 3.2Å
251N98.4Very high96.9Very high50 Ų5040.3 Ų40.327%0.26721%0.206SC..SBendtrans-92.95.6170.8-64.8-32.4000113.6Y253 K445 R571N251-Y253 HydrophobicContact CB-CE1 4.23Å; N251-Y253 HydrophobicContact CB-CE2 4.13Å; N251-Y253 WeakPolarHBondContact O-CD2 3.04Å; N251-Y253 PolarHBondContact O-N 3.07Å; N251-Y253 PolarHBondContact OD1-OH 3.14Å; N251-K445 HydrophobicContact CB-CB 4.3Å; N251-K445 HydrophobicContact CB-CD 4.21Å; N251-K445 HydrophobicContact CB-CG 3.8Å; N251-K445 CarbonylContact O-C 3.53Å; N251-K445 WeakPolarHBondContact O-CA 3.04Å; N251-K445 WeakPolarHBondContact O-CB 3.33Å; N251-R571 PolarHBondContact OD1-NH1 3.27Å; N251-R571 PolarHBondContact OD1-NH2 2.89Å
252D98.4Very high97.6Very high6 Ų636 Ų363%0.03218%0.179CC..  trans-76.667.5165.6-178.119.9000109.8R224 S250 L254 G255 M256 S257R224-D252 IonicContact CZ-OD2 3.76Å; R224-D252 IonicContact NH1-OD2 3.73Å; R224-D252 IonicContact NH2-OD2 3.48Å; R224-D252 PolarHBondContact NH2-OD2 3.03Å; S250-D252 PolarHBondContact OG-N 3.4Å; D252-L254 PolarHBondContact O-N 3.02Å; D252-L254 VanDerWaalsContact O-N 3.11Å; D252-G255 PolarHBondContact O-N 3.33Å; D252-G255 VanDerWaalsContact O-N 3.13Å; D252-G255 WeakPolarHBondContact OD1-CA 3.27Å; D252-G255 PolarHBondContact OD1-N 3.48Å; D252-G255 WeakPolarHBondContact OD2-CA 3.28Å; D252-M256 PolarHBondContact OD1-N 3.41Å; D252-S257 PolarHBondContact OD1-N 3.32Å; D252-S257 VanDerWaalsContact OD2-CB 3.25Å; D252-S257 WeakPolarHBondContact OD2-CB 3.35Å; D252-S257 PolarHBondContact OD2-N 3.35Å; D252-S257 PolarHBondContact OD2-OG 3.23Å
253Y98.6Very high98Very high0 Ų032.9 Ų32.90%017%0.17CC..THydrogen-bonded Turntrans-59-28.3-165.5-62.7-57.5000114.4N251 H414 L418 K445 A446 H528 R571 A573 T575 P576N251-Y253 HydrophobicContact CB-CE1 4.23Å; N251-Y253 HydrophobicContact CB-CE2 4.13Å; N251-Y253 WeakPolarHBondContact O-CD2 3.04Å; N251-Y253 PolarHBondContact O-N 3.07Å; N251-Y253 PolarHBondContact OD1-OH 3.14Å; Y253-H414 AromaticContact CE2-ND1 3.97Å; Y253-H414 AromaticContact CZ-ND1 3.78Å; Y253-H414 PolarHBondContact OH-CE1 3.01Å; Y253-H414 PolarHBondContact OH-ND1 3.19Å; Y253-L418 HydrophobicContact CD2-CD1 3.58Å; Y253-L418 HydrophobicContact CD2-CG 4.44Å; Y253-L418 HydrophobicContact CE2-CD1 4.13Å; Y253-L418 HydrophobicContact CG-CD1 4.01Å; Y253-L418 HydrophobicContact CG-CD2 4.49Å; Y253-K445 HydrophobicContact CD2-CB 4.14Å; Y253-K445 HydrophobicContact CE2-CB 3.9Å; Y253-K445 HydrophobicContact CE2-CD 4.21Å; Y253-K445 HydrophobicContact CE2-CG 4.42Å; Y253-A446 HydrophobicContact CD2-CB 4.41Å; Y253-H528 AromaticContact CD1-CD2 3.67Å; Y253-H528 AromaticContact CD1-NE2 3.79Å; Y253-H528 AromaticContact CD2-NE2 3.9Å; Y253-H528 AromaticContact CE1-CD2 3.68Å; Y253-H528 AromaticContact CE1-NE2 3.46Å; Y253-H528 WeakPolarHBondContact CE1-NE2 3.31Å; Y253-H528 AromaticContact CE2-NE2 3.53Å; Y253-H528 AromaticContact CZ-NE2 3.3Å; Y253-H528 VanDerWaalsContact CZ-NE2 3.3Å; Y253-R571 PolarHBondContact OH-NH2 2.74Å; Y253-A573 HydrophobicContact CD1-CB 4.25Å; Y253-A573 HydrophobicContact CE1-CB 3.92Å; Y253-T575 WeakPolarHBondContact O-CB 3.35Å; Y253-T575 WeakPolarHBondContact O-CG2 3.29Å; Y253-P576 WeakPolarHBondContact O-CD 3.27Å
254L98.6Very high98.3Very high2 Ų230.2 Ų30.21%0.0117%0.166CC..THydrogen-bonded Turntrans-110.9-2.5-177.4-59.3-177.8000112.9D252 M256 L418 A446 L492 L500 H504 P576 H577D252-L254 PolarHBondContact O-N 3.02Å; D252-L254 VanDerWaalsContact O-N 3.11Å; L254-M256 VanDerWaalsContact C-N 3.33Å; L254-M256 HydrophobicContact CB-CG 4.01Å; L254-L418 HydrophobicContact CD1-CD2 3.93Å; L254-L418 HydrophobicContact CD2-CD2 3.71Å; L254-L418 HydrophobicContact CG-CD2 3.66Å; L254-A446 HydrophobicContact CD1-CB 4.44Å; L254-L492 HydrophobicContact CD1-CD1 3.79Å; L254-L492 HydrophobicContact CD1-CD2 3.54Å; L254-L492 HydrophobicContact CD1-CG 4.35Å; L254-L500 HydrophobicContact CD2-CB 4.37Å; L254-H504 HydrophobicContact CD2-CB 3.84Å; L254-P576 HydrophobicContact CD2-CG 3.95Å; L254-H577 PolarHBondContact O-NE2 3.34Å
255G98.3Very high98.4Very high3 Ų327 Ų273%0.03115%0.154CC..  trans72.525.5-175.300000113.2D252 S257 R258D252-G255 PolarHBondContact O-N 3.33Å; D252-G255 VanDerWaalsContact O-N 3.13Å; D252-G255 WeakPolarHBondContact OD1-CA 3.27Å; D252-G255 PolarHBondContact OD1-N 3.48Å; D252-G255 WeakPolarHBondContact OD2-CA 3.28Å; G255-S257 PolarHBondContact O-N 2.91Å; G255-R258 VanDerWaalsContact O-CD 3.29Å; G255-R258 WeakPolarHBondContact O-CD 3.46Å; G255-R258 WeakPolarHBondContact O-CG 3.23Å; G255-R258 PolarHBondContact O-N 3.48Å; G255-R258 PolarHBondContact O-NE 2.92Å
256M98.8Very high98.5Very high1 Ų128.6 Ų28.61%0.00516%0.164CC..G310 helixtrans-71.5-21.4-176.5-68.7-53.4-65.300112.3D252 L254 R258 H259 V262 A446 I491 L492 L500D252-M256 PolarHBondContact OD1-N 3.41Å; L254-M256 VanDerWaalsContact C-N 3.33Å; L254-M256 HydrophobicContact CB-CG 4.01Å; M256-R258 PolarHBondContact O-N 2.82Å; M256-H259 HydrophobicContact CE-CB 3.82Å; M256-H259 WeakPolarHBondContact O-CB 3.47Å; M256-H259 PolarHBondContact O-N 3.48Å; M256-H259 VanDerWaalsContact O-N 3.1Å; M256-H259 HydrophobicContact SD-CB 4.14Å; M256-V262 HydrophobicContact CE-CG2 3.9Å; M256-A446 WeakPolarHBondContact CB-O 3.48Å; M256-A446 WeakPolarHBondContact CG-O 3.33Å; M256-I491 HydrophobicContact CE-CB 4.04Å; M256-I491 HydrophobicContact CE-CD1 4.05Å; M256-I491 HydrophobicContact CE-CG2 3.83Å; M256-L492 HydrophobicContact CE-CD2 4.38Å; M256-L492 HydrophobicContact CE-CG 4.5Å; M256-L492 HydrophobicContact CG-CD1 4.2Å; M256-L492 HydrophobicContact CG-CD2 4.1Å; M256-L492 HydrophobicContact CG-CG 4.34Å; M256-L492 HydrophobicContact SD-CD2 3.9Å; M256-L492 HydrophobicContact SD-CG 4.49Å; M256-L500 HydrophobicContact SD-CD1 4.09Å
257S98.5Very high98.5Very high41 Ų4133.1 Ų33.129%0.28719%0.185SC..G310 helixtrans-65.2-13.9178.489.90000113.4R224 D252 G255 G448R224-S257 PolarHBondContact NH1-OG 3.05Å; R224-S257 VanDerWaalsContact NH1-OG 3.15Å; R224-S257 PolarHBondContact NH2-OG 3.22Å; R224-S257 VanDerWaalsContact NH2-OG 3.08Å; D252-S257 PolarHBondContact OD1-N 3.32Å; D252-S257 VanDerWaalsContact OD2-CB 3.25Å; D252-S257 WeakPolarHBondContact OD2-CB 3.35Å; D252-S257 PolarHBondContact OD2-N 3.35Å; D252-S257 PolarHBondContact OD2-OG 3.23Å; G255-S257 PolarHBondContact O-N 2.91Å; S257-G448 WeakPolarHBondContact CA-O 3.23Å; S257-G448 WeakPolarHBondContact CB-O 3.43Å
258R98.4Very high98.5Very high64 Ų6436.6 Ų36.624%0.24220%0.203CC..G310 helixtrans-121.19.1177.461.469.6171.2-161.6-0.9113.3A226 F229 G255 M256 H577A226-R258 HydrophobicContact CB-CB 3.76Å; A226-R258 WeakPolarHBondContact O-CB 3.41Å; F229-R258 HydrophobicContact CB-CG 3.93Å; F229-R258 HydrophobicContact CD2-CG 4.31Å; F229-R258 HydrophobicContact CG-CG 4.23Å; G255-R258 VanDerWaalsContact O-CD 3.29Å; G255-R258 WeakPolarHBondContact O-CD 3.46Å; G255-R258 WeakPolarHBondContact O-CG 3.23Å; G255-R258 PolarHBondContact O-N 3.48Å; G255-R258 PolarHBondContact O-NE 2.92Å; M256-R258 PolarHBondContact O-N 2.82Å; R258-H577 PolarHBondContact NH2-CE1 3.35Å; R258-H577 VanDerWaalsContact NH2-CG 3.31Å; R258-H577 PolarHBondContact NH2-ND1 3.33Å; R258-H577 PolarHBondContact NH2-NE2 3.04Å
259H98.7Very high98.5Very high25 Ų2537 Ų3712%0.11621%0.206CC..  trans-65.2128.6-176.6-175.8-78.7000109.5M256 R261 V262 C263 E496M256-H259 HydrophobicContact CE-CB 3.82Å; M256-H259 WeakPolarHBondContact O-CB 3.47Å; M256-H259 PolarHBondContact O-N 3.48Å; M256-H259 VanDerWaalsContact O-N 3.1Å; M256-H259 HydrophobicContact SD-CB 4.14Å; H259-R261 VanDerWaalsContact C-N 3.31Å; H259-R261 PolarHBondContact ND1-N 3.1Å; H259-R261 PolarHBondContact O-N 3.41Å; H259-R261 VanDerWaalsContact O-N 3.16Å; H259-V262 HydrophobicContact CB-CB 4.1Å; H259-V262 HydrophobicContact CB-CG2 3.89Å; H259-V262 WeakPolarHBondContact O-CA 3.27Å; H259-V262 WeakPolarHBondContact O-CB 3.31Å; H259-V262 PolarHBondContact O-N 3.38Å; H259-C263 PolarHBondContact O-N 2.87Å; H259-E496 IonicContact CD2-OE1 2.84Å; H259-E496 IonicContact NE2-OE1 3.84Å; H259-E496 PolarHBondContact NE2-OE1 3.27Å; H259-E496 VanDerWaalsContact NE2-OE1 3.1Å
260P98.4Very high98.6Very high95 Ų9539.6 Ų39.662%0.61722%0.218SC*.Hα-helixtrans-54.4-42.1-170.9-28.934.9000114.4G264P260-G264 PolarHBondContact O-N 3.42Å
261R98.6Very high98.6Very high125 Ų12546.2 Ų46.247%0.47224%0.244SC..Hα-helixtrans-66-35.7176.3-68.4172.957.7-1784.4113.1H259 A265 E487 I491H259-R261 VanDerWaalsContact C-N 3.31Å; H259-R261 PolarHBondContact ND1-N 3.1Å; H259-R261 PolarHBondContact O-N 3.41Å; H259-R261 VanDerWaalsContact O-N 3.16Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 3.32Å; R261-E487 HydrophobicContact CB-CG 4Å; R261-E487 IonicContact CZ-OE1 3.09Å; R261-E487 IonicContact NE-OE1 3.86Å; R261-E487 PolarHBondContact NE-OE1 3.23Å; R261-E487 IonicContact NH2-OE1 2.94Å; R261-E487 PolarHBondContact NH2-OE1 3.18Å; R261-I491 HydrophobicContact CB-CD1 3.88Å
262V98.8Very high98.6Very high4 Ų450.5 Ų50.52%0.02426%0.262CS..Hα-helixtrans-69-50177.4173.50000109.7M256 H259 G264 A265 V266 I491M256-V262 HydrophobicContact CE-CG2 3.9Å; H259-V262 HydrophobicContact CB-CB 4.1Å; H259-V262 HydrophobicContact CB-CG2 3.89Å; H259-V262 WeakPolarHBondContact O-CA 3.27Å; H259-V262 WeakPolarHBondContact O-CB 3.31Å; H259-V262 PolarHBondContact O-N 3.38Å; V262-G264 VanDerWaalsContact C-N 3.31Å; V262-G264 PolarHBondContact O-N 3.01Å; V262-A265 PolarHBondContact O-N 3.27Å; V262-V266 WeakPolarHBondContact O-CG2 3.45Å; V262-V266 PolarHBondContact O-N 2.77Å; V262-I491 HydrophobicContact CG2-CD1 4.19Å
263C98.6Very high98.5Very high42 Ų4255 Ų5528%0.28428%0.283SS..Hα-helixtrans-60.9-40.2176.5-62.50000112H259 V266 M267H259-C263 PolarHBondContact O-N 2.87Å; C263-V266 PolarHBondContact O-N 2.89Å; C263-M267 WeakPolarHBondContact O-CB 3.39Å; C263-M267 VanDerWaalsContact O-CG 3.26Å; C263-M267 WeakPolarHBondContact O-CG 3.08Å; C263-M267 PolarHBondContact O-N 2.66Å
264G98.6Very high98.5Very high23 Ų2356.5 Ų56.524%0.23730%0.298CS..Hα-helixtrans-58.3-50.8174.400000112.1P260 V262 V266 M267 D268P260-G264 PolarHBondContact O-N 3.42Å; V262-G264 VanDerWaalsContact C-N 3.31Å; V262-G264 PolarHBondContact O-N 3.01Å; G264-V266 VanDerWaalsContact C-N 3.29Å; G264-V266 PolarHBondContact O-N 3.03Å; G264-M267 PolarHBondContact O-N 3.34Å; G264-M267 VanDerWaalsContact O-N 3.12Å; G264-D268 WeakPolarHBondContact O-CB 3.3Å; G264-D268 VanDerWaalsContact O-CG 3.29Å; G264-D268 PolarHBondContact O-N 3.06Å
265A98.8Very high98.4Very high21 Ų2159.1 Ų59.117%0.17432%0.32CS..Hα-helixtrans-58.2-39.5177.400000112.8R261 V262 T269 E487R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 3.32Å; V262-A265 PolarHBondContact O-N 3.27Å; A265-T269 VanDerWaalsContact O-CB 3.28Å; A265-T269 WeakPolarHBondContact O-CB 3.48Å; A265-T269 PolarHBondContact O-N 2.96Å; A265-T269 VanDerWaalsContact O-N 3.14Å; A265-T269 PolarHBondContact O-OG1 3.41Å; A265-E487 HydrophobicContact CB-CB 4.1Å; A265-E487 HydrophobicContact CB-CG 4.43Å
266V98.8Very high98.3Very high34 Ų3461.5 Ų61.521%0.20634%0.344CS..Hα-helixtrans-63.6-50.2174.2175.10000110.8V262 C263 G264 D268 T269 L270 M480V262-V266 WeakPolarHBondContact O-CG2 3.45Å; V262-V266 PolarHBondContact O-N 2.77Å; C263-V266 PolarHBondContact O-N 2.89Å; G264-V266 VanDerWaalsContact C-N 3.29Å; G264-V266 PolarHBondContact O-N 3.03Å; V266-D268 PolarHBondContact O-N 3.29Å; V266-T269 PolarHBondContact O-N 2.91Å; V266-L270 VanDerWaalsContact O-CB 3.27Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 PolarHBondContact O-N 3.43Å; V266-M480 HydrophobicContact CG1-CB 4.21Å; V266-M480 HydrophobicContact CG1-CG 4.45Å; V266-M480 WeakPolarHBondContact CG2-O 3.26Å
267M98.6Very high98.2Very high105 Ų10562.2 Ų62.252%0.51735%0.351SS..Hα-helixtrans-62.2-43-177.7-73.1173.96600112.4C263 G264 L270 K271C263-M267 WeakPolarHBondContact O-CB 3.39Å; C263-M267 VanDerWaalsContact O-CG 3.26Å; C263-M267 WeakPolarHBondContact O-CG 3.08Å; C263-M267 PolarHBondContact O-N 2.66Å; G264-M267 PolarHBondContact O-N 3.34Å; G264-M267 VanDerWaalsContact O-N 3.12Å; M267-L270 PolarHBondContact O-N 2.63Å; M267-K271 WeakPolarHBondContact O-CG 3.16Å; M267-K271 PolarHBondContact O-N 3.4Å; M267-K271 VanDerWaalsContact O-N 3.09Å
268D98.6Very high98.2Very high83 Ų8363.6 Ų63.644%0.44437%0.372SS..Hα-helixtrans-67.5-44-179.3-67.1-21.2000110.9G264 V266 K271 Q272G264-D268 WeakPolarHBondContact O-CB 3.3Å; G264-D268 VanDerWaalsContact O-CG 3.29Å; G264-D268 PolarHBondContact O-N 3.06Å; V266-D268 PolarHBondContact O-N 3.29Å; D268-K271 PolarHBondContact O-N 3.27Å; D268-Q272 WeakPolarHBondContact O-CG 3.28Å; D268-Q272 PolarHBondContact O-N 3.32Å; D268-Q272 VanDerWaalsContact O-N 3.14Å
269T98.6Very high98.1Very high9 Ų961.1 Ų61.16%0.05537%0.365CS..Hα-helixtrans-67.1-38.5177.8-54.80000111.7A265 V266 Q272 H273 F289 P479 M480 A483A265-T269 VanDerWaalsContact O-CB 3.28Å; A265-T269 WeakPolarHBondContact O-CB 3.48Å; A265-T269 PolarHBondContact O-N 2.96Å; A265-T269 VanDerWaalsContact O-N 3.14Å; A265-T269 PolarHBondContact O-OG1 3.41Å; V266-T269 PolarHBondContact O-N 2.91Å; T269-Q272 PolarHBondContact O-N 3.43Å; T269-H273 WeakPolarHBondContact O-CB 3.45Å; T269-H273 PolarHBondContact O-N 2.86Å; T269-F289 HydrophobicContact CG2-CD2 4.36Å; T269-F289 HydrophobicContact CG2-CE1 3.99Å; T269-F289 HydrophobicContact CG2-CE2 3.82Å; T269-F289 HydrophobicContact CG2-CZ 3.62Å; T269-P479 HydrophobicContact CG2-CB 4.17Å; T269-M480 HydrophobicContact CG2-CB 4.15Å; T269-A483 HydrophobicContact CG2-CB 4.03Å; T269-A483 WeakPolarHBondContact OG1-CB 3.39Å
270L98.6Very high98.1Very high76 Ų7661.4 Ų61.440%0.39837%0.369SS..Hα-helixtrans-60.3-44.6174.7170.660.5000111.4V266 M267 Q272 G274 A275 M480V266-L270 VanDerWaalsContact O-CB 3.27Å; V266-L270 WeakPolarHBondContact O-CB 3.41Å; V266-L270 PolarHBondContact O-N 3.43Å; M267-L270 PolarHBondContact O-N 2.63Å; L270-Q272 VanDerWaalsContact C-N 3.32Å; L270-Q272 PolarHBondContact O-N 3.27Å; L270-G274 VanDerWaalsContact O-CA 3.28Å; L270-G274 WeakPolarHBondContact O-CA 3.41Å; L270-G274 PolarHBondContact O-N 2.96Å; L270-A275 HydrophobicContact CD1-CB 4.27Å; L270-M480 HydrophobicContact CB-CB 4.19Å; L270-M480 HydrophobicContact CB-SD 3.88Å; L270-M480 HydrophobicContact CD1-SD 3.67Å; L270-M480 HydrophobicContact CD2-SD 4.29Å; L270-M480 HydrophobicContact CG-SD 4.13Å
271K98.4Very high98Very high161 Ų16158.4 Ų58.470%0.735%0.346SS*.Hα-helixtrans-63-38.7178-73.2171.2-176.6173.20112.3M267 D268M267-K271 WeakPolarHBondContact O-CG 3.16Å; M267-K271 PolarHBondContact O-N 3.4Å; M267-K271 VanDerWaalsContact O-N 3.09Å; D268-K271 PolarHBondContact O-N 3.27Å
272Q98.1Very high97.9Very high141 Ų14159.5 Ų59.566%0.65936%0.361SS*.Hα-helixtrans-84.8-34.1-175.1-67.8177.237.100113.7D268 T269 L270D268-Q272 WeakPolarHBondContact O-CG 3.28Å; D268-Q272 PolarHBondContact O-N 3.32Å; D268-Q272 VanDerWaalsContact O-N 3.14Å; T269-Q272 PolarHBondContact O-N 3.43Å; L270-Q272 VanDerWaalsContact C-N 3.32Å; L270-Q272 PolarHBondContact O-N 3.27Å
273H97.8Very high97.7Very high101 Ų10164.8 Ų64.847%0.46839%0.388SS..Hα-helixtrans-126.80.1-167.6-58.2-60.1000114.2T269 F289T269-H273 WeakPolarHBondContact O-CB 3.45Å; T269-H273 PolarHBondContact O-N 2.86Å; H273-F289 AromaticContact CD2-CE2 3.56Å; H273-F289 AromaticContact CD2-CZ 3.8Å; H273-F289 AromaticContact NE2-CE2 3.76Å; H273-F289 AromaticContact NE2-CZ 3.88Å
274G97.6Very high97.5Very high31 Ų3167.5 Ų67.532%0.3241%0.407SS..  trans74.6-168.217900000113.8L270L270-G274 VanDerWaalsContact O-CA 3.28Å; L270-G274 WeakPolarHBondContact O-CA 3.41Å; L270-G274 PolarHBondContact O-N 2.96Å
275A96.4Very high97.5Very high56 Ų5666.5 Ų66.546%0.46340%0.397SS..SBendtrans-87.1-58.4-170.300000113.4L270 P478 M480L270-A275 HydrophobicContact CD1-CB 4.27Å; A275-P478 VanDerWaalsContact O-CB 3.23Å; A275-P478 WeakPolarHBondContact O-CB 3.4Å; A275-M480 HydrophobicContact CB-CE 4.28Å
276G96.9Very high97.5Very high53 Ų5368.4 Ų68.455%0.54641%0.406SS..  trans-90.3152.7-174.100000113.3G278G276-G278 PolarHBondContact O-N 2.83Å
277A97.4Very high97.5Very high17 Ų1768.2 Ų68.214%0.1441%0.407CS..  trans-68-21.9170.200000113G279 S476A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 3.18Å; A277-S476 WeakPolarHBondContact CB-O 3.3Å
278G97.1Very high97.5Very high70 Ų7069.9 Ų69.972%0.72241%0.411SS*.  trans81.6-5.4175.300000115.7G276G276-G278 PolarHBondContact O-N 2.83Å
279G96.9Very high97.5Very high11 Ų1167.9 Ų67.911%0.11340%0.399CS..SBendtrans-174.9-175.3176.100000114.1A277 I283 S476A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 3.18Å; G279-I283 WeakPolarHBondContact CA-O 3.47Å; G279-S476 PolarHBondContact O-N 2.75Å
280T97.6Very high97.5Very high32 Ų3267.5 Ų67.520%0.19640%0.396CS..BIsolated β-bridgetrans-73.2167.217372.50000110.4N282 I283 G285 T474T280-N282 PolarHBondContact O-N 2.61Å; T280-N282 VanDerWaalsContact O-N 3.12Å; T280-I283 CarbonylContact O-C 3.41Å; T280-I283 PolarHBondContact O-N 2.96Å; T280-G285 WeakPolarHBondContact O-CA 3.15Å; T280-G285 PolarHBondContact O-N 2.91Å; T280-T474 WeakPolarHBondContact CA-O 3.27Å; T280-T474 WeakPolarHBondContact CB-O 3.15Å; T280-T474 WeakPolarHBondContact CG2-O 3.42Å
281R97.6Very high97.5Very high32 Ų3267.6 Ų67.612%0.12140%0.399CS..Iπ-helixtrans-51.4-39.1179-73.6-70.1-60.7-93.69.4113.2T286 E294 F471 S476R281-T286 WeakPolarHBondContact CA-OG1 3.35Å; R281-T286 WeakPolarHBondContact CD-OG1 3.46Å; R281-T286 PolarHBondContact NE-OG1 2.94Å; R281-T286 WeakPolarHBondContact O-CB 3.47Å; R281-T286 PolarHBondContact O-OG1 3.16Å; R281-E294 IonicContact CZ-OE1 3.46Å; R281-E294 IonicContact CZ-OE2 3.65Å; R281-E294 IonicContact NH1-OE1 3.97Å; R281-E294 PolarHBondContact NH1-OE1 2.97Å; R281-E294 IonicContact NH1-OE2 3.83Å; R281-E294 IonicContact NH2-OE1 3.5Å; R281-E294 PolarHBondContact NH2-OE1 3.27Å; R281-E294 IonicContact NH2-OE2 3.61Å; R281-E294 PolarHBondContact NH2-OE2 3.05Å; R281-F471 HydrophobicContact CB-CE1 4.31Å; R281-F471 HydrophobicContact CB-CZ 4.03Å; R281-F471 HydrophobicContact CG-CE1 4.31Å; R281-F471 HydrophobicContact CG-CE2 3.96Å; R281-F471 HydrophobicContact CG-CZ 3.64Å; R281-S476 WeakPolarHBondContact CD-OG 3.31Å
282N95.6Very high97.5Very high148 Ų14860.7 Ų60.779%0.79137%0.37SS*.Iπ-helixtrans-81.6-22.1-178.9-165.439.5000113.8T280T280-N282 PolarHBondContact O-N 2.61Å; T280-N282 VanDerWaalsContact O-N 3.12Å
283I95.2Very high97.6Very high114 Ų11454 Ų5459%0.58534%0.339SS*.Iπ-helixtrans-116.982.2-173.6-51.3174000108.5G279 T280 G285G279-I283 WeakPolarHBondContact CA-O 3.47Å; T280-I283 CarbonylContact O-C 3.41Å; T280-I283 PolarHBondContact O-N 2.96Å; I283-G285 PolarHBondContact O-N 2.9Å
284S95.4Very high97.6Very high100 Ų10050 Ų5070%0.69932%0.321SS*.Iπ-helixtrans59.8-2.1178.869.80000117.5
285G97.7Very high97.7Very high2 Ų256 Ų562%0.02133%0.334CS..Iπ-helixtrans-86.5-4.3-177.500000115.6T280 I283 H290 S476T280-G285 WeakPolarHBondContact O-CA 3.15Å; T280-G285 PolarHBondContact O-N 2.91Å; I283-G285 PolarHBondContact O-N 2.9Å; G285-H290 PolarHBondContact O-CE1 2.93Å; G285-H290 PolarHBondContact O-NE2 2.79Å; G285-S476 VanDerWaalsContact O-CB 3.23Å; G285-S476 WeakPolarHBondContact O-CB 3.26Å; G285-S476 PolarHBondContact O-OG 3.25Å
286T98.7Very high97.8Very high60 Ų6054.8 Ų54.837%0.36832%0.318SS..  trans-91112.7172.7-620000110.3R281 H290 V291R281-T286 WeakPolarHBondContact CA-OG1 3.35Å; R281-T286 WeakPolarHBondContact CD-OG1 3.46Å; R281-T286 PolarHBondContact NE-OG1 2.94Å; R281-T286 WeakPolarHBondContact O-CB 3.47Å; R281-T286 PolarHBondContact O-OG1 3.16Å; T286-H290 HydrophobicContact CG2-CB 4.34Å; T286-V291 HydrophobicContact CG2-CG2 4.24Å
287S98.6Very high97.9Very high31 Ų3152.3 Ų52.322%0.21729%0.292CS..  trans-104.7167.1172.674.50000111.9F289 H290S287-F289 PolarHBondContact O-N 3.25Å; S287-F289 VanDerWaalsContact O-N 3.14Å; S287-F289 PolarHBondContact OG-N 2.89Å; S287-H290 PolarHBondContact N-ND1 2.91Å; S287-H290 WeakPolarHBondContact O-CB 3.09Å; S287-H290 PolarHBondContact O-N 2.83Å; S287-H290 PolarHBondContact OG-CE1 2.93Å; S287-H290 PolarHBondContact OG-ND1 2.86Å
288K98.3Very high98Very high139 Ų13951.8 Ų51.860%0.60429%0.288SS*.Hα-helixtrans-52.1-35.2173.2172.9168.6168.647.60112.9H290 V291 D292K288-H290 VanDerWaalsContact C-N 3.25Å; K288-H290 PolarHBondContact O-N 2.67Å; K288-V291 PolarHBondContact O-N 3.21Å; K288-D292 VanDerWaalsContact CE-OD2 3.25Å; K288-D292 WeakPolarHBondContact CE-OD2 3.39Å; K288-D292 WeakPolarHBondContact CG-OD2 3.41Å; K288-D292 IonicContact NZ-OD1 3Å; K288-D292 PolarHBondContact NZ-OD1 3.25Å; K288-D292 IonicContact NZ-OD2 2.92Å; K288-D292 PolarHBondContact NZ-OD2 2.92Å; K288-D292 WeakPolarHBondContact O-CB 3.37Å; K288-D292 PolarHBondContact O-N 3.01Å
289F98.8Very high98Very high42 Ų4252.2 Ų52.218%0.18427%0.274CS..Hα-helixtrans-64.1-28.7178.7-56.6-83.3000113.2T269 H273 S287 L293 P479 L482 A483T269-F289 HydrophobicContact CG2-CD2 4.36Å; T269-F289 HydrophobicContact CG2-CE1 3.99Å; T269-F289 HydrophobicContact CG2-CE2 3.82Å; T269-F289 HydrophobicContact CG2-CZ 3.62Å; H273-F289 AromaticContact CD2-CE2 3.56Å; H273-F289 AromaticContact CD2-CZ 3.8Å; H273-F289 AromaticContact NE2-CE2 3.76Å; H273-F289 AromaticContact NE2-CZ 3.88Å; S287-F289 PolarHBondContact O-N 3.25Å; S287-F289 VanDerWaalsContact O-N 3.14Å; S287-F289 PolarHBondContact OG-N 2.89Å; F289-L293 VanDerWaalsContact O-CB 3.26Å; F289-L293 WeakPolarHBondContact O-CB 3.27Å; F289-L293 PolarHBondContact O-N 3.05Å; F289-P479 HydrophobicContact CD2-CB 3.8Å; F289-P479 HydrophobicContact CE2-CB 4.33Å; F289-P479 HydrophobicContact CG-CB 4.44Å; F289-L482 HydrophobicContact CB-CB 3.86Å; F289-L482 HydrophobicContact CB-CD1 4.46Å; F289-A483 HydrophobicContact CD1-CB 3.64Å; F289-A483 HydrophobicContact CE1-CB 3.78Å
290H98.9Very high98.1Very high1 Ų152.1 Ų52.11%0.00527%0.271CS..Hα-helixtrans-67.7-52.3173-63.473.8000110.3G285 T286 S287 K288 D292 L293 E294 L308 S476 L477 L482G285-H290 PolarHBondContact O-CE1 2.93Å; G285-H290 PolarHBondContact O-NE2 2.79Å; T286-H290 HydrophobicContact CG2-CB 4.34Å; S287-H290 PolarHBondContact N-ND1 2.91Å; S287-H290 WeakPolarHBondContact O-CB 3.09Å; S287-H290 PolarHBondContact O-N 2.83Å; S287-H290 PolarHBondContact OG-CE1 2.93Å; S287-H290 PolarHBondContact OG-ND1 2.86Å; K288-H290 VanDerWaalsContact C-N 3.25Å; K288-H290 PolarHBondContact O-N 2.67Å; H290-D292 PolarHBondContact O-N 3.39Å; H290-L293 PolarHBondContact O-N 3.2Å; H290-E294 WeakPolarHBondContact O-CB 3.46Å; H290-E294 WeakPolarHBondContact O-CG 3.33Å; H290-E294 PolarHBondContact O-N 2.87Å; H290-L308 HydrophobicContact CB-CD1 4.43Å; H290-S476 PolarHBondContact CD2-OG 3.41Å; H290-S476 VanDerWaalsContact CD2-OG 3.27Å; H290-S476 PolarHBondContact NE2-OG 3.1Å; H290-L477 PolarHBondContact CE1-O 3.44Å; H290-L477 PolarHBondContact NE2-O 3.04Å; H290-L482 HydrophobicContact CB-CD1 4.22Å; H290-L482 WeakPolarHBondContact CD2-CD1 3.29Å; H290-L482 WeakPolarHBondContact CE1-CD1 2.88Å; H290-L482 VanDerWaalsContact CG-CD1 3.41Å; H290-L482 WeakPolarHBondContact ND1-CD1 3.42Å; H290-L482 VanDerWaalsContact NE2-CD1 3.33Å; H290-L482 WeakPolarHBondContact NE2-CD1 3.48Å
291V98.8Very high98.2Very high77 Ų7750.7 Ų50.747%0.46726%0.262SS..Hα-helixtrans-62.8-43.4-177.3-179.50000111.3T286 K288 R295T286-V291 HydrophobicContact CG2-CG2 4.24Å; K288-V291 PolarHBondContact O-N 3.21Å; V291-R295 WeakPolarHBondContact O-CB 3.2Å; V291-R295 PolarHBondContact O-N 3.2Å
292D98.9Very high98.2Very high16 Ų1652.4 Ų52.49%0.08629%0.289CS..Hα-helixtrans-64.4-42.8178.6-74.6-20.6000112.1K288 H290 R295 E296 L486K288-D292 VanDerWaalsContact CE-OD2 3.25Å; K288-D292 WeakPolarHBondContact CE-OD2 3.39Å; K288-D292 WeakPolarHBondContact CG-OD2 3.41Å; K288-D292 IonicContact NZ-OD1 3Å; K288-D292 PolarHBondContact NZ-OD1 3.25Å; K288-D292 IonicContact NZ-OD2 2.92Å; K288-D292 PolarHBondContact NZ-OD2 2.92Å; K288-D292 WeakPolarHBondContact O-CB 3.37Å; K288-D292 PolarHBondContact O-N 3.01Å; H290-D292 PolarHBondContact O-N 3.39Å; D292-R295 PolarHBondContact O-N 3.03Å; D292-R295 IonicContact OD1-CZ 3.88Å; D292-R295 IonicContact OD1-NH2 2.74Å; D292-R295 PolarHBondContact OD1-NH2 3.21Å; D292-E296 WeakPolarHBondContact O-CB 3.44Å; D292-E296 PolarHBondContact O-N 3.43Å; D292-L486 HydrophobicContact CB-CD2 3.88Å
293L98.9Very high98.4Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-70.3-41.5179.1-178.360.8000112F289 H290 R295 E296 L297 L308 L443 L482 A485 L486 V489F289-L293 VanDerWaalsContact O-CB 3.26Å; F289-L293 WeakPolarHBondContact O-CB 3.27Å; F289-L293 PolarHBondContact O-N 3.05Å; H290-L293 PolarHBondContact O-N 3.2Å; L293-R295 VanDerWaalsContact C-N 3.29Å; L293-R295 PolarHBondContact O-N 3.11Å; L293-E296 PolarHBondContact O-N 3.46Å; L293-L297 HydrophobicContact CD1-CD1 4.11Å; L293-L297 HydrophobicContact CD1-CG 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.86Å; L293-L297 HydrophobicContact CG-CG 4.26Å; L293-L297 WeakPolarHBondContact O-CB 3.18Å; L293-L297 WeakPolarHBondContact O-CG 3.34Å; L293-L297 PolarHBondContact O-N 3.3Å; L293-L308 HydrophobicContact CB-CD1 4.24Å; L293-L308 HydrophobicContact CD2-CD1 4Å; L293-L308 HydrophobicContact CD2-CD2 3.8Å; L293-L308 HydrophobicContact CG-CD1 4.28Å; L293-L308 HydrophobicContact CG-CD2 4.2Å; L293-L443 HydrophobicContact CD2-CD1 3.74Å; L293-L482 HydrophobicContact CD2-CB 4.32Å; L293-L482 HydrophobicContact CD2-CD2 3.81Å; L293-A485 HydrophobicContact CD1-CB 4.47Å; L293-A485 HydrophobicContact CD2-CB 3.88Å; L293-L486 HydrophobicContact CD1-CB 4.16Å; L293-L486 HydrophobicContact CD1-CD1 4.34Å; L293-V489 HydrophobicContact CD1-CG2 4.29Å
294E98.9Very high98.5Very high19 Ų1947 Ų479%0.08926%0.26CS..Hα-helixtrans-58-43.3174.6-75.5174.4160.800111.1R281 H290 L297 A298 A306 L308R281-E294 IonicContact CZ-OE1 3.46Å; R281-E294 IonicContact CZ-OE2 3.65Å; R281-E294 IonicContact NH1-OE1 3.97Å; R281-E294 PolarHBondContact NH1-OE1 2.97Å; R281-E294 IonicContact NH1-OE2 3.83Å; R281-E294 IonicContact NH2-OE1 3.5Å; R281-E294 PolarHBondContact NH2-OE1 3.27Å; R281-E294 IonicContact NH2-OE2 3.61Å; R281-E294 PolarHBondContact NH2-OE2 3.05Å; H290-E294 WeakPolarHBondContact O-CB 3.46Å; H290-E294 WeakPolarHBondContact O-CG 3.33Å; H290-E294 PolarHBondContact O-N 2.87Å; E294-L297 PolarHBondContact O-N 3.28Å; E294-A298 WeakPolarHBondContact O-CB 3.37Å; E294-A298 PolarHBondContact O-N 3.46Å; E294-A306 WeakPolarHBondContact O-CB 3.2Å; E294-L308 HydrophobicContact CG-CB 4.38Å; E294-L308 HydrophobicContact CG-CD1 3.81Å; E294-L308 HydrophobicContact CG-CG 3.69Å; E294-L308 PolarHBondContact OE1-N 3.06Å
295R98.9Very high98.7Very high157 Ų15743 Ų4359%0.59223%0.233SC*.Hα-helixtrans-66.1-42.2174.8177.9173.351.2168.1-4.6113V291 D292 L293 L297 A298 D299V291-R295 WeakPolarHBondContact O-CB 3.2Å; V291-R295 PolarHBondContact O-N 3.2Å; D292-R295 PolarHBondContact O-N 3.03Å; D292-R295 IonicContact OD1-CZ 3.88Å; D292-R295 IonicContact OD1-NH2 2.74Å; D292-R295 PolarHBondContact OD1-NH2 3.21Å; L293-R295 VanDerWaalsContact C-N 3.29Å; L293-R295 PolarHBondContact O-N 3.11Å; R295-L297 VanDerWaalsContact C-N 3.3Å; R295-L297 PolarHBondContact O-N 3.01Å; R295-A298 PolarHBondContact O-N 2.74Å; R295-D299 PolarHBondContact O-N 2.96Å
296E98.9Very high98.8Very high30 Ų3043.1 Ų43.114%0.1423%0.234CC..Hα-helixtrans-64.7-36.8178.6-170.880.1-141.800111.6D292 L293 L300 L486 V489 R490 K493D292-E296 WeakPolarHBondContact O-CB 3.44Å; D292-E296 PolarHBondContact O-N 3.43Å; L293-E296 PolarHBondContact O-N 3.46Å; E296-L300 WeakPolarHBondContact O-CB 3.35Å; E296-L300 PolarHBondContact O-N 3.03Å; E296-L486 HydrophobicContact CB-CD1 3.59Å; E296-L486 HydrophobicContact CG-CD1 3.71Å; E296-V489 HydrophobicContact CG-CB 4.37Å; E296-V489 HydrophobicContact CG-CG1 3.68Å; E296-R490 HydrophobicContact CG-CG 4.34Å; E296-R490 IonicContact OE2-CZ 2.94Å; E296-R490 IonicContact OE2-NE 2.65Å; E296-R490 PolarHBondContact OE2-NE 2.96Å; E296-R490 IonicContact OE2-NH2 2.64Å; E296-R490 PolarHBondContact OE2-NH2 3.15Å; E296-K493 IonicContact OE1-NZ 3.65Å; E296-K493 PolarHBondContact OE1-NZ 3.05Å
297L98.9Very high98.8Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-71.3-39.6175.7-69.4169.1000111.9L293 E294 R295 D299 L300 H301 A306 L308 L443 Y453 V489L293-L297 HydrophobicContact CD1-CD1 4.11Å; L293-L297 HydrophobicContact CD1-CG 4.02Å; L293-L297 HydrophobicContact CG-CD1 3.86Å; L293-L297 HydrophobicContact CG-CG 4.26Å; L293-L297 WeakPolarHBondContact O-CB 3.18Å; L293-L297 WeakPolarHBondContact O-CG 3.34Å; L293-L297 PolarHBondContact O-N 3.3Å; E294-L297 PolarHBondContact O-N 3.28Å; R295-L297 VanDerWaalsContact C-N 3.3Å; R295-L297 PolarHBondContact O-N 3.01Å; L297-D299 VanDerWaalsContact C-N 3.35Å; L297-L300 HydrophobicContact CD2-CD2 4.4Å; L297-L300 WeakPolarHBondContact O-CB 3.34Å; L297-L300 PolarHBondContact O-N 2.99Å; L297-H301 PolarHBondContact O-CD2 3.14Å; L297-H301 PolarHBondContact O-N 3.32Å; L297-H301 VanDerWaalsContact O-N 3.16Å; L297-A306 HydrophobicContact CB-CB 3.89Å; L297-L308 HydrophobicContact CD1-CD2 3.87Å; L297-L443 HydrophobicContact CD1-CD2 4.48Å; L297-L443 HydrophobicContact CD2-CD2 4.33Å; L297-Y453 HydrophobicContact CB-CD2 4.47Å; L297-Y453 HydrophobicContact CD1-CD1 3.72Å; L297-Y453 HydrophobicContact CD1-CD2 4.17Å; L297-Y453 HydrophobicContact CD1-CE1 4.23Å; L297-Y453 HydrophobicContact CD1-CG 3.68Å; L297-Y453 HydrophobicContact CD2-CD1 4.04Å; L297-Y453 HydrophobicContact CD2-CD2 4.49Å; L297-Y453 HydrophobicContact CD2-CE1 3.66Å; L297-Y453 HydrophobicContact CD2-CE2 4.17Å; L297-Y453 HydrophobicContact CD2-CG 4.43Å; L297-Y453 HydrophobicContact CG-CD1 4.48Å; L297-V489 HydrophobicContact CD2-CG2 4.1Å
298A98.9Very high98.8Very high6 Ų639.1 Ų39.15%0.0521%0.208CC..Hα-helixtrans-59.1-46.5172.400000111.1E294 R295 H301 G302 K303 A306E294-A298 WeakPolarHBondContact O-CB 3.37Å; E294-A298 PolarHBondContact O-N 3.46Å; R295-A298 PolarHBondContact O-N 2.74Å; A298-H301 CarbonylContact O-C 3.42Å; A298-H301 PolarHBondContact O-N 2.99Å; A298-G302 PolarHBondContact O-N 2.91Å; A298-K303 WeakPolarHBondContact CB-O 3.35Å; A298-K303 PolarHBondContact O-N 2.92Å; A298-A306 HydrophobicContact CB-CB 4.27Å
299D98.8Very high98.8Very high80 Ų8032.8 Ų32.843%0.42818%0.18SC..Hα-helixtrans-67-35.6174.9171.757.2000113R295 L297 H301 G302 R422 K493R295-D299 PolarHBondContact O-N 2.96Å; L297-D299 VanDerWaalsContact C-N 3.35Å; D299-H301 PolarHBondContact O-N 2.95Å; D299-G302 PolarHBondContact O-N 3.39Å; D299-R422 PolarHBondContact O-NH2 3.47Å; D299-R422 IonicContact OD1-CZ 3.65Å; D299-R422 IonicContact OD1-NH1 3.8Å; D299-R422 IonicContact OD1-NH2 2.67Å; D299-R422 PolarHBondContact OD1-NH2 2.91Å; D299-R422 VanDerWaalsContact OD1-NH2 3.09Å; D299-R422 IonicContact OD2-CZ 3.96Å; D299-R422 IonicContact OD2-NH2 3.73Å; D299-R422 PolarHBondContact OD2-NH2 3.08Å; D299-K493 IonicContact OD2-NZ 2.81Å; D299-K493 PolarHBondContact OD2-NZ 3.12Å
300L98.8Very high98.8Very high8 Ų832.9 Ų32.94%0.04219%0.186CC..Hα-helixtrans-55.3-40.7173.4175.264000110.9E296 L297 R422 F447 V489 K493E296-L300 WeakPolarHBondContact O-CB 3.35Å; E296-L300 PolarHBondContact O-N 3.03Å; L297-L300 HydrophobicContact CD2-CD2 4.4Å; L297-L300 WeakPolarHBondContact O-CB 3.34Å; L297-L300 PolarHBondContact O-N 2.99Å; L300-R422 HydrophobicContact CD1-CB 4.35Å; L300-F447 HydrophobicContact CD2-CZ 3.91Å; L300-V489 HydrophobicContact CD2-CG1 4.33Å; L300-K493 HydrophobicContact CB-CD 4.48Å; L300-K493 HydrophobicContact CD1-CD 3.98Å; L300-K493 HydrophobicContact CD1-CG 3.7Å
301H98.7Very high98.8Very high3 Ų334.6 Ų34.61%0.01420%0.198CC..Hα-helixtrans-96.7-4.2-173.5-69.1-57.5000115.1L297 A298 D299 K303 G424 M433 I439 Y453 A455L297-H301 PolarHBondContact O-CD2 3.14Å; L297-H301 PolarHBondContact O-N 3.32Å; L297-H301 VanDerWaalsContact O-N 3.16Å; A298-H301 CarbonylContact O-C 3.42Å; A298-H301 PolarHBondContact O-N 2.99Å; D299-H301 PolarHBondContact O-N 2.95Å; H301-K303 VanDerWaalsContact C-N 3.27Å; H301-K303 HydrophobicContact CB-CG 3.96Å; H301-K303 PolarHBondContact O-N 2.69Å; H301-G424 PolarHBondContact CE1-O 2.89Å; H301-M433 VanDerWaalsContact CA-CE 3.43Å; H301-M433 HydrophobicContact CB-CE 3.7Å; H301-M433 WeakPolarHBondContact ND1-CE 3.47Å; H301-M433 WeakPolarHBondContact O-CE 3.38Å; H301-I439 HydrophobicContact CB-CD1 4.13Å; H301-Y453 AromaticContact CD2-CE2 3.63Å; H301-Y453 AromaticContact NE2-CE2 3.26Å; H301-Y453 VanDerWaalsContact NE2-CE2 3.26Å; H301-Y453 WeakPolarHBondContact NE2-CE2 3.44Å; H301-Y453 AromaticContact NE2-CZ 3.46Å; H301-Y453 PolarHBondContact NE2-OH 3.35Å; H301-A455 HydrophobicContact CB-CB 4.12Å
302G98.2Very high98.7Very high67 Ų6731.4 Ų31.469%0.69118%0.179SC*.THydrogen-bonded Turntrans59.539.4-173.100000112.5A298 D299A298-G302 PolarHBondContact O-N 2.91Å; D299-G302 PolarHBondContact O-N 3.39Å
303K98.8Very high98.7Very high34 Ų3435 Ų3515%0.14819%0.194CC..  trans-114.6159.9178.4-61.9-63.5167.9-174.70110.6A298 H301 A305 M433 M436 A455A298-K303 WeakPolarHBondContact CB-O 3.35Å; A298-K303 PolarHBondContact O-N 2.92Å; H301-K303 VanDerWaalsContact C-N 3.27Å; H301-K303 HydrophobicContact CB-CG 3.96Å; H301-K303 PolarHBondContact O-N 2.69Å; K303-A305 VanDerWaalsContact C-N 3.35Å; K303-A305 PolarHBondContact O-N 3.11Å; K303-M433 WeakPolarHBondContact CE-O 3.37Å; K303-M433 PolarHBondContact NZ-O 2.82Å; K303-M436 WeakPolarHBondContact CE-O 3.44Å; K303-M436 PolarHBondContact NZ-O 3.16Å; K303-A455 HydrophobicContact CB-CB 4.17Å; K303-A455 HydrophobicContact CG-CB 4.14Å
304D98.7Very high98.7Very high115 Ų11536.5 Ų36.562%0.61520%0.203SC*.SBendtrans-65.6-39.4-176.7-55.8-19.1000112S456 T457 S458D304-S456 PolarHBondContact N-O 2.9Å; D304-T457 WeakPolarHBondContact OD2-CA 3.44Å; D304-S458 PolarHBondContact OD2-N 3.3Å
305A98.8Very high98.7Very high17 Ų1735.6 Ų35.614%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-150161.1-177.400000112.2K303 A455 S456 I461K303-A305 VanDerWaalsContact C-N 3.35Å; K303-A305 PolarHBondContact O-N 3.11Å; A305-A455 WeakPolarHBondContact O-CA 3.24Å; A305-S456 PolarHBondContact N-O 3.38Å; A305-S456 PolarHBondContact O-N 3.36Å; A305-I461 HydrophobicContact CB-CB 3.94Å; A305-I461 HydrophobicContact CB-CG1 3.96Å; A305-I461 HydrophobicContact CB-CG2 3.83Å
306A98.9Very high98.7Very high3 Ų328.2 Ų28.23%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-133.3161.9168.500000110.8E294 L297 A298 I454 A455E294-A306 WeakPolarHBondContact O-CB 3.2Å; L297-A306 HydrophobicContact CB-CB 3.89Å; A298-A306 HydrophobicContact CB-CB 4.27Å; A306-I454 CarbonylContact C-O 3.58Å; A306-I454 WeakPolarHBondContact CA-O 3.36Å; A306-I454 VanDerWaalsContact CB-O 3.29Å; A306-I454 WeakPolarHBondContact CB-O 3.4Å; A306-A455 HydrophobicContact CB-CB 4.02Å
307L98.9Very high98.7Very high0 Ų028.5 Ų28.50%017%0.173CC..EExtended strand (participates in β ladder)trans-137.2126-178.7-168.366.4000111.3F309 Y453 I454 I461 V464 R465 F471L307-F309 HydrophobicContact CB-CE2 4.17Å; L307-F309 HydrophobicContact CD2-CE2 3.82Å; L307-F309 HydrophobicContact CD2-CZ 3.86Å; L307-F309 HydrophobicContact CG-CE2 3.97Å; L307-F309 HydrophobicContact CG-CZ 4.45Å; L307-F309 WeakPolarHBondContact O-CD2 3.41Å; L307-Y453 WeakPolarHBondContact O-CA 3.27Å; L307-Y453 VanDerWaalsContact O-CB 3.27Å; L307-Y453 WeakPolarHBondContact O-CB 3.31Å; L307-I454 HydrophobicContact CB-CG1 4.04Å; L307-I454 PolarHBondContact N-O 3.35Å; L307-I454 PolarHBondContact O-N 2.89Å; L307-I454 VanDerWaalsContact O-N 3.1Å; L307-I461 HydrophobicContact CB-CD1 4.44Å; L307-I461 HydrophobicContact CB-CG2 4.02Å; L307-V464 HydrophobicContact CD2-CB 4.26Å; L307-V464 HydrophobicContact CD2-CG1 3.93Å; L307-R465 HydrophobicContact CD1-CB 4Å; L307-R465 HydrophobicContact CD1-CG 3.87Å; L307-R465 HydrophobicContact CD2-CB 3.94Å; L307-F471 HydrophobicContact CD1-CD2 4.24Å; L307-F471 HydrophobicContact CD1-CE2 3.5Å; L307-F471 HydrophobicContact CD1-CZ 3.68Å; L307-F471 HydrophobicContact CD2-CD2 4.04Å; L307-F471 HydrophobicContact CD2-CE2 4.13Å; L307-F471 HydrophobicContact CD2-CG 4.38Å; L307-F471 HydrophobicContact CG-CD2 4.02Å; L307-F471 HydrophobicContact CG-CE2 3.75Å; L307-F471 HydrophobicContact CG-CZ 4.35Å
308L98.9Very high98.7Very high8 Ų828.9 Ų28.94%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-83.3142.6179-71.1166.2000113H290 L293 E294 L297 L443 F471 L482H290-L308 HydrophobicContact CB-CD1 4.43Å; L293-L308 HydrophobicContact CB-CD1 4.24Å; L293-L308 HydrophobicContact CD2-CD1 4Å; L293-L308 HydrophobicContact CD2-CD2 3.8Å; L293-L308 HydrophobicContact CG-CD1 4.28Å; L293-L308 HydrophobicContact CG-CD2 4.2Å; E294-L308 HydrophobicContact CG-CB 4.38Å; E294-L308 HydrophobicContact CG-CD1 3.81Å; E294-L308 HydrophobicContact CG-CG 3.69Å; E294-L308 PolarHBondContact OE1-N 3.06Å; L297-L308 HydrophobicContact CD1-CD2 3.87Å; L308-L443 HydrophobicContact CD2-CD1 3.91Å; L308-F471 WeakPolarHBondContact O-CD2 3.49Å; L308-F471 WeakPolarHBondContact O-CE2 3.47Å; L308-L482 HydrophobicContact CD1-CD1 4.41Å; L308-L482 HydrophobicContact CD1-CD2 4.03Å
309F98.9Very high98.7Very high6 Ų628.6 Ų28.63%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-130.8162.7173.3-68.3-99.8000110.5L307 S311 V314 A315 G452 I454 V464 F471 L477L307-F309 HydrophobicContact CB-CE2 4.17Å; L307-F309 HydrophobicContact CD2-CE2 3.82Å; L307-F309 HydrophobicContact CD2-CZ 3.86Å; L307-F309 HydrophobicContact CG-CE2 3.97Å; L307-F309 HydrophobicContact CG-CZ 4.45Å; L307-F309 WeakPolarHBondContact O-CD2 3.41Å; F309-S311 PolarHBondContact O-N 2.79Å; F309-V314 HydrophobicContact CD1-CG1 4Å; F309-A315 HydrophobicContact CB-CB 3.94Å; F309-A315 HydrophobicContact CD1-CB 4.5Å; F309-A315 HydrophobicContact CD2-CB 3.64Å; F309-A315 HydrophobicContact CE2-CB 4.25Å; F309-A315 HydrophobicContact CG-CB 3.78Å; F309-G452 PolarHBondContact N-O 3.22Å; F309-G452 PolarHBondContact O-N 2.89Å; F309-I454 HydrophobicContact CE2-CD1 4.48Å; F309-I454 HydrophobicContact CE2-CG1 4.09Å; F309-V464 HydrophobicContact CZ-CG1 3.76Å; F309-F471 HydrophobicContact CD1-CB 4.15Å; F309-F471 HydrophobicContact CD1-CD2 4.45Å; F309-F471 HydrophobicContact CE1-CB 3.64Å; F309-F471 HydrophobicContact CE1-CD2 4.32Å; F309-F471 HydrophobicContact CE1-CG 4.43Å; F309-F471 HydrophobicContact CZ-CB 4.25Å; F309-F471 HydrophobicContact CZ-CD2 4.48Å; F309-L477 WeakPolarHBondContact O-CD1 3.38Å
310S98.4Very high98.7Very high43 Ų4324.8 Ų24.830%0.30115%0.153SC..SBendtrans-58.2-32.1178.658.80000113.8V314 G451S310-V314 WeakPolarHBondContact OG-CG2 3.35Å; S310-G451 WeakPolarHBondContact O-CA 3.41Å
311S98.6Very high98.6Very high38 Ų3828.1 Ų28.127%0.26617%0.168SC..  trans-157.7164.9173.967.30000110.1F309 F313 V314 A315 G452F309-S311 PolarHBondContact O-N 2.79Å; S311-F313 PolarHBondContact O-N 3.48Å; S311-F313 PolarHBondContact OG-N 2.81Å; S311-V314 PolarHBondContact O-N 3.35Å; S311-V314 PolarHBondContact OG-N 3.46Å; S311-A315 PolarHBondContact O-N 3.32Å; S311-G452 VanDerWaalsContact C-CA 3.45Å
312C98.2Very high98.6Very high9 Ų928.3 Ų28.36%0.06117%0.169CC..Hα-helixtrans-69.9-21.3174.3-158.90000112.4V314 A315 N316 V413 G441C312-V314 VanDerWaalsContact C-N 3.32Å; C312-V314 PolarHBondContact O-N 3.06Å; C312-A315 PolarHBondContact O-N 3.42Å; C312-N316 VanDerWaalsContact O-CB 3.31Å; C312-N316 WeakPolarHBondContact O-CB 3.39Å; C312-N316 VanDerWaalsContact O-CG 3.25Å; C312-N316 PolarHBondContact O-N 3.05Å; C312-N316 PolarHBondContact O-ND2 3.17Å; C312-V413 HydrophobicContact CB-CG2 3.76Å; C312-V413 WeakPolarHBondContact SG-CG2 2.95Å; C312-G441 PolarHBondContact SG-O 3.26Å
313F98.4Very high98.6Very high93 Ų9325.8 Ų25.841%0.40814%0.14SC..Hα-helixtrans-57.9-49.8169.3-174.4-73.6000110.2S311 D317 Q344S311-F313 PolarHBondContact O-N 3.48Å; S311-F313 PolarHBondContact OG-N 2.81Å; F313-D317 HydrophobicContact CE1-CB 4.48Å; F313-D317 WeakPolarHBondContact O-CB 3.12Å; F313-D317 PolarHBondContact O-N 3.35Å; F313-Q344 HydrophobicContact CZ-CB 4.48Å; F313-Q344 HydrophobicContact CZ-CG 4.5Å
314V98.6Very high98.6Very high31 Ų3124.2 Ų24.219%0.18813%0.133CC..Hα-helixtrans-70.1-37.1179.7179.70000111.4F309 S310 S311 C312 S318F309-V314 HydrophobicContact CD1-CG1 4Å; S310-V314 WeakPolarHBondContact OG-CG2 3.35Å; S311-V314 PolarHBondContact O-N 3.35Å; S311-V314 PolarHBondContact OG-N 3.46Å; C312-V314 VanDerWaalsContact C-N 3.32Å; C312-V314 PolarHBondContact O-N 3.06Å; V314-S318 WeakPolarHBondContact O-CB 3.47Å; V314-S318 PolarHBondContact O-N 3.35Å; V314-S318 PolarHBondContact O-OG 2.74Å
315A98.6Very high98.5Very high0 Ų025 Ų250%013%0.131CC..Hα-helixtrans-59.5-49.7175.200000111.5F309 S311 C312 T319 I454F309-A315 HydrophobicContact CB-CB 3.94Å; F309-A315 HydrophobicContact CD1-CB 4.5Å; F309-A315 HydrophobicContact CD2-CB 3.64Å; F309-A315 HydrophobicContact CE2-CB 4.25Å; F309-A315 HydrophobicContact CG-CB 3.78Å; S311-A315 PolarHBondContact O-N 3.32Å; C312-A315 PolarHBondContact O-N 3.42Å; A315-T319 WeakPolarHBondContact O-CB 3.09Å; A315-T319 PolarHBondContact O-N 3.14Å; A315-T319 PolarHBondContact O-OG1 2.91Å; A315-I454 HydrophobicContact CB-CG2 4.34Å
316N98.8Very high98.4Very high2 Ų228.2 Ų28.21%0.01114%0.144CC..Hα-helixtrans-63.1-53.6178.5-73.1-14000111.7C312 S318 L320 S341 M342 F409 D411 S440C312-N316 VanDerWaalsContact O-CB 3.31Å; C312-N316 WeakPolarHBondContact O-CB 3.39Å; C312-N316 VanDerWaalsContact O-CG 3.25Å; C312-N316 PolarHBondContact O-N 3.05Å; C312-N316 PolarHBondContact O-ND2 3.17Å; N316-S318 PolarHBondContact O-N 3.43Å; N316-L320 WeakPolarHBondContact O-CB 3.39Å; N316-L320 PolarHBondContact O-N 2.82Å; N316-S341 WeakPolarHBondContact CB-OG 3.49Å; N316-S341 PolarHBondContact ND2-OG 3.3Å; N316-M342 HydrophobicContact CB-CG 3.95Å; N316-F409 HydrophobicContact CB-CZ 4.43Å; N316-F409 WeakPolarHBondContact OD1-CE1 3.38Å; N316-F409 VanDerWaalsContact OD1-CZ 3.3Å; N316-F409 WeakPolarHBondContact OD1-CZ 3.25Å; N316-D411 PolarHBondContact ND2-OD2 2.95Å; N316-S440 WeakPolarHBondContact OD1-CB 3.1Å; N316-S440 PolarHBondContact OD1-OG 3.49Å
317D98.6Very high98.3Very high35 Ų3530.4 Ų30.419%0.18715%0.154CC..Hα-helixtrans-57.3-53.2-179178.836.9000111.2F313 T319 F321 G345F313-D317 HydrophobicContact CE1-CB 4.48Å; F313-D317 WeakPolarHBondContact O-CB 3.12Å; F313-D317 PolarHBondContact O-N 3.35Å; D317-T319 PolarHBondContact O-N 3.39Å; D317-F321 WeakPolarHBondContact O-CB 3.33Å; D317-F321 PolarHBondContact O-N 3.5Å; D317-G345 WeakPolarHBondContact O-CA 3.15Å; D317-G345 WeakPolarHBondContact OD1-CA 3.39Å; D317-G345 PolarHBondContact OD1-N 2.67Å; D317-G345 VanDerWaalsContact OD1-N 3.1Å
318S98.5Very high98.2Very high8 Ų835.6 Ų35.66%0.05619%0.188CC..Hα-helixtrans-66.9-42.1-175.4-52.50000112.4V314 N316 T322V314-S318 WeakPolarHBondContact O-CB 3.47Å; V314-S318 PolarHBondContact O-N 3.35Å; V314-S318 PolarHBondContact O-OG 2.74Å; N316-S318 PolarHBondContact O-N 3.43Å; S318-T322 WeakPolarHBondContact O-CB 3.45Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 2.93Å
319T98.8Very high98.1Very high0 Ų038 Ų380%022%0.215CC..Hα-helixtrans-69.3-50.2-176.8-55.50000111A315 D317 F321 T322 L323 F409 I438 I454 V464A315-T319 WeakPolarHBondContact O-CB 3.09Å; A315-T319 PolarHBondContact O-N 3.14Å; A315-T319 PolarHBondContact O-OG1 2.91Å; D317-T319 PolarHBondContact O-N 3.39Å; T319-F321 PolarHBondContact O-N 2.9Å; T319-T322 PolarHBondContact O-N 2.95Å; T319-L323 HydrophobicContact CG2-CD1 3.69Å; T319-L323 HydrophobicContact CG2-CG 4.28Å; T319-L323 WeakPolarHBondContact O-CB 3.17Å; T319-L323 WeakPolarHBondContact O-CG 3.47Å; T319-L323 PolarHBondContact O-N 2.83Å; T319-F409 HydrophobicContact CG2-CD2 4.38Å; T319-F409 HydrophobicContact CG2-CE2 3.78Å; T319-I438 HydrophobicContact CG2-CG2 4.47Å; T319-I454 HydrophobicContact CG2-CD1 3.84Å; T319-I454 HydrophobicContact CG2-CG2 4.35Å; T319-V464 HydrophobicContact CG2-CG2 4Å
320L98.8Very high98Very high0 Ų037.8 Ų37.80%021%0.214CC..Hα-helixtrans-62.7-43.9178.8-75.1163.7000111N316 A324 M342 I346 I378 A380 F409N316-L320 WeakPolarHBondContact O-CB 3.39Å; N316-L320 PolarHBondContact O-N 2.82Å; L320-A324 WeakPolarHBondContact O-CB 3.2Å; L320-A324 PolarHBondContact O-N 3.23Å; L320-A324 VanDerWaalsContact O-N 3.09Å; L320-M342 HydrophobicContact CD1-CB 3.67Å; L320-M342 HydrophobicContact CD1-CG 3.71Å; L320-I346 HydrophobicContact CB-CG1 4.45Å; L320-I346 HydrophobicContact CD1-CD1 4.37Å; L320-I346 HydrophobicContact CD1-CG1 4.19Å; L320-I378 HydrophobicContact CD2-CG2 4.16Å; L320-A380 HydrophobicContact CD2-CB 4.3Å; L320-F409 HydrophobicContact CD1-CD1 4.11Å; L320-F409 HydrophobicContact CD1-CE1 3.95Å; L320-F409 HydrophobicContact CD1-CZ 4.21Å; L320-F409 HydrophobicContact CD2-CB 4.08Å; L320-F409 HydrophobicContact CD2-CD1 4.08Å; L320-F409 HydrophobicContact CD2-CD2 3.86Å; L320-F409 HydrophobicContact CD2-CE2 4.35Å; L320-F409 HydrophobicContact CD2-CG 3.72Å; L320-F409 HydrophobicContact CG-CD1 4.23Å; L320-F409 HydrophobicContact CG-CD2 4.05Å; L320-F409 HydrophobicContact CG-CE1 4.21Å; L320-F409 HydrophobicContact CG-CE2 4.02Å; L320-F409 HydrophobicContact CG-CG 4.17Å; L320-F409 HydrophobicContact CG-CZ 4.11Å
321F98.6Very high98Very high78 Ų7836.8 Ų36.834%0.34221%0.205SC..Hα-helixtrans-59-53.2176.3173.4-95.4000112D317 T319 K325 N348D317-F321 WeakPolarHBondContact O-CB 3.33Å; D317-F321 PolarHBondContact O-N 3.5Å; T319-F321 PolarHBondContact O-N 2.9Å; F321-K325 WeakPolarHBondContact O-CB 3.39Å; F321-K325 PolarHBondContact O-N 2.81Å; F321-N348 HydrophobicContact CD2-CB 3.73Å; F321-N348 HydrophobicContact CE2-CB 4.13Å; F321-N348 WeakPolarHBondContact CE2-O 3.46Å
322T98.5Very high98Very high7 Ų735 Ų354%0.04319%0.192CC..Hα-helixtrans-64.1-50.6-174.7-69.70000111.3S318 T319 K325 M326 A468S318-T322 WeakPolarHBondContact O-CB 3.45Å; S318-T322 PolarHBondContact O-N 2.91Å; S318-T322 PolarHBondContact O-OG1 2.93Å; T319-T322 PolarHBondContact O-N 2.95Å; T322-K325 PolarHBondContact O-N 2.77Å; T322-M326 HydrophobicContact CG2-CG 4.42Å; T322-M326 HydrophobicContact CG2-SD 3.58Å; T322-M326 VanDerWaalsContact CG2-SD 3.58Å; T322-M326 WeakPolarHBondContact O-CB 3.31Å; T322-M326 WeakPolarHBondContact O-CG 3.13Å; T322-M326 PolarHBondContact O-N 2.85Å; T322-A468 WeakPolarHBondContact OG1-CA 3.29Å
323L98.3Very high98.1Very high14 Ų1434.7 Ų34.77%0.07319%0.19CC..Hα-helixtrans-63.8-47.5-177.8-67178.4000111.7T319 K325 M326 M327 I378 I438 L460 V464T319-L323 HydrophobicContact CG2-CD1 3.69Å; T319-L323 HydrophobicContact CG2-CG 4.28Å; T319-L323 WeakPolarHBondContact O-CB 3.17Å; T319-L323 WeakPolarHBondContact O-CG 3.47Å; T319-L323 PolarHBondContact O-N 2.83Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.45Å; L323-M326 PolarHBondContact O-N 3.1Å; L323-M327 HydrophobicContact CB-CE 4.21Å; L323-M327 PolarHBondContact O-N 2.84Å; L323-I378 HydrophobicContact CB-CD1 4.11Å; L323-I438 HydrophobicContact CD1-CD1 3.52Å; L323-L460 HydrophobicContact CD1-CD1 4.24Å; L323-L460 HydrophobicContact CD1-CD2 4.16Å; L323-L460 HydrophobicContact CD1-CG 4.33Å; L323-L460 HydrophobicContact CD2-CG 4.29Å; L323-V464 HydrophobicContact CD1-CG2 4.46Å; L323-V464 HydrophobicContact CD2-CG2 4.02Å; L323-V464 HydrophobicContact CG-CG2 4.18Å
324A97.6Very high98.1Very high1 Ų130.4 Ų30.41%0.00817%0.171CC..Hα-helixtrans-62-40.2179.700000112.3L320 C330 I332 V351L320-A324 WeakPolarHBondContact O-CB 3.2Å; L320-A324 PolarHBondContact O-N 3.23Å; L320-A324 VanDerWaalsContact O-N 3.09Å; A324-C330 WeakPolarHBondContact O-CB 3.39Å; A324-I332 HydrophobicContact CB-CD1 3.62Å; A324-I332 HydrophobicContact CB-CG1 4.32Å; A324-V351 HydrophobicContact CB-CG1 4.25Å; A324-V351 HydrophobicContact CB-CG2 4.07Å; A324-V351 WeakPolarHBondContact O-CG1 3.44Å
325K96.8Very high98.1Very high131 Ų13129.1 Ų29.157%0.5716%0.163SC*.Hα-helixtrans-72.3-30.5-179.4-168.857.6172.6179.30113.1F321 T322 L323F321-K325 WeakPolarHBondContact O-CB 3.39Å; F321-K325 PolarHBondContact O-N 2.81Å; T322-K325 PolarHBondContact O-N 2.77Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 3.45Å
326M96.6Very high97.8Very high85 Ų8532.3 Ų32.342%0.41919%0.186SC..Hα-helixtrans-81-35.1-178.8-73.4-179.671.600113.1T322 L323 T463 Y467T322-M326 HydrophobicContact CG2-CG 4.42Å; T322-M326 HydrophobicContact CG2-SD 3.58Å; T322-M326 VanDerWaalsContact CG2-SD 3.58Å; T322-M326 WeakPolarHBondContact O-CB 3.31Å; T322-M326 WeakPolarHBondContact O-CG 3.13Å; T322-M326 PolarHBondContact O-N 2.85Å; L323-M326 PolarHBondContact O-N 3.1Å; M326-T463 HydrophobicContact CE-CG2 3.72Å; M326-T463 HydrophobicContact SD-CG2 3.87Å; M326-Y467 HydrophobicContact CE-CD1 4.11Å; M326-Y467 HydrophobicContact CE-CD2 3.69Å; M326-Y467 HydrophobicContact CE-CE1 4.28Å; M326-Y467 HydrophobicContact CE-CE2 3.89Å; M326-Y467 HydrophobicContact CE-CG 3.82Å; M326-Y467 HydrophobicContact SD-CD1 4.32Å; M326-Y467 HydrophobicContact SD-CD2 4.08Å; M326-Y467 HydrophobicContact SD-CG 3.8Å
327M97.7Very high97.4Very high49 Ų4933.2 Ų33.224%0.24120%0.195CC..SBendtrans-75.3125.2-179.1-74-171.7-6900111.2L323 G329 C330 P376 I378 I407L323-M327 HydrophobicContact CB-CE 4.21Å; L323-M327 PolarHBondContact O-N 2.84Å; M327-G329 PolarHBondContact O-N 2.79Å; M327-C330 HydrophobicContact CB-CB 3.84Å; M327-C330 WeakPolarHBondContact O-CB 3.41Å; M327-C330 PolarHBondContact O-N 2.81Å; M327-P376 HydrophobicContact CB-CB 3.91Å; M327-P376 HydrophobicContact CB-CG 4.19Å; M327-P376 HydrophobicContact CG-CB 4.34Å; M327-P376 HydrophobicContact SD-CB 3.82Å; M327-I378 HydrophobicContact CE-CD1 3.64Å; M327-I378 HydrophobicContact CE-CG1 3.77Å; M327-I407 HydrophobicContact CE-CD1 4.46Å
328P96.8Very high97.2Very high110 Ų11031.9 Ų31.971%0.71419%0.188SC*.THydrogen-bonded Turntrans-60.7122.3-177.1-23.133.2000112C330 P376P328-C330 PolarHBondContact O-N 3.08Å; P328-P376 VanDerWaalsContact O-CD 3.27Å; P328-P376 WeakPolarHBondContact O-CD 3.15Å
329G95.6Very high97Very high58 Ų5834.7 Ų34.760%0.59820%0.2SC*.THydrogen-bonded Turntrans66.917.3177.500000114.9M327 E331 V375M327-G329 PolarHBondContact O-N 2.79Å; G329-E331 PolarHBondContact O-N 3.17Å; G329-V375 VanDerWaalsContact O-CG1 3.25Å; G329-V375 WeakPolarHBondContact O-CG1 3.49Å
330C98.3Very high96.6Very high1 Ų137.5 Ų37.51%0.00722%0.223CC..  trans-50.3134.8-173.1-172.30000113.2A324 M327 P328 V351 P352 P376A324-C330 WeakPolarHBondContact O-CB 3.39Å; M327-C330 HydrophobicContact CB-CB 3.84Å; M327-C330 WeakPolarHBondContact O-CB 3.41Å; M327-C330 PolarHBondContact O-N 2.81Å; P328-C330 PolarHBondContact O-N 3.08Å; C330-V351 VanDerWaalsContact O-CB 3.26Å; C330-V351 WeakPolarHBondContact O-CB 3.49Å; C330-V351 WeakPolarHBondContact O-CG2 3.38Å; C330-P352 WeakPolarHBondContact O-CD 3.46Å; C330-P376 CarbonylContact C-O 3.32Å; C330-P376 VanDerWaalsContact CA-O 3.28Å; C330-P376 WeakPolarHBondContact CA-O 3.4Å
331E98.5Very high96.4Very high23 Ų2337.5 Ų37.511%0.10722%0.223CC..EExtended strand (participates in β ladder)trans-105.4146.6170.7-62.9177.717300110.7G329 Y333 P352 Y354 S371 V375 P376 K377 I378G329-E331 PolarHBondContact O-N 3.17Å; E331-Y333 HydrophobicContact CB-CE2 3.78Å; E331-Y333 PolarHBondContact OE2-OH 3.07Å; E331-P352 HydrophobicContact CG-CB 4.31Å; E331-Y354 HydrophobicContact CB-CE2 4.11Å; E331-Y354 HydrophobicContact CG-CE2 4.06Å; E331-S371 VanDerWaalsContact CD-OG 3.26Å; E331-S371 PolarHBondContact OE1-OG 3.13Å; E331-S371 VanDerWaalsContact OE2-CB 3.27Å; E331-S371 WeakPolarHBondContact OE2-CB 3.14Å; E331-S371 PolarHBondContact OE2-OG 3.11Å; E331-V375 HydrophobicContact CG-CG1 3.93Å; E331-P376 PolarHBondContact N-O 3.04Å; E331-K377 HydrophobicContact CB-CG 4.37Å; E331-K377 CarbonylContact O-C 3.59Å; E331-K377 VanDerWaalsContact O-CA 3.3Å; E331-K377 WeakPolarHBondContact O-CA 3.45Å; E331-I378 PolarHBondContact O-N 2.58Å
332I98.6Very high96.4Very high0 Ų033.8 Ų33.80%021%0.207CC..EExtended strand (participates in β ladder)trans-120.3127174.4-58-179.4000110.7A324 I346 V351 P352 K353 Y354 I378A324-I332 HydrophobicContact CB-CD1 3.62Å; A324-I332 HydrophobicContact CB-CG1 4.32Å; I332-I346 HydrophobicContact CB-CG2 4.4Å; I332-I346 HydrophobicContact CD1-CB 4.21Å; I332-I346 HydrophobicContact CD1-CG1 3.85Å; I332-I346 HydrophobicContact CD1-CG2 4.05Å; I332-I346 HydrophobicContact CG2-CD1 3.78Å; I332-I346 HydrophobicContact CG2-CG1 3.93Å; I332-I346 HydrophobicContact CG2-CG2 4.17Å; I332-V351 HydrophobicContact CD1-CG2 3.75Å; I332-V351 HydrophobicContact CG1-CG2 3.76Å; I332-P352 PolarHBondContact N-O 2.75Å; I332-K353 CarbonylContact O-C 3.57Å; I332-K353 VanDerWaalsContact O-CA 3.25Å; I332-K353 WeakPolarHBondContact O-CA 3.45Å; I332-Y354 PolarHBondContact O-N 2.97Å; I332-I378 CarbonylContact C-O 3.24Å; I332-I378 WeakPolarHBondContact CA-O 3.19Å; I332-I378 HydrophobicContact CG1-CB 4.48Å
333Y98.8Very high96.1Very high2 Ų237.2 Ų37.21%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-105107.3173.5-62.9-100.5000107.5E331 Y354 L364 L367 L368 S371 K377 I378 V379 A380E331-Y333 HydrophobicContact CB-CE2 3.78Å; E331-Y333 PolarHBondContact OE2-OH 3.07Å; Y333-Y354 CarbonylContact C-O 3.19Å; Y333-Y354 WeakPolarHBondContact CA-O 3.37Å; Y333-Y354 HydrophobicContact CD1-CD2 4.36Å; Y333-Y354 HydrophobicContact CD1-CG 4.4Å; Y333-Y354 AromaticContact CE1-CD2 3.9Å; Y333-Y354 HydrophobicContact CE1-CD2 3.9Å; Y333-Y354 HydrophobicContact CE1-CG 4.06Å; Y333-Y354 HydrophobicContact CE2-CD2 4.22Å; Y333-Y354 AromaticContact CZ-CD2 3.79Å; Y333-L364 HydrophobicContact CD1-CD1 4.27Å; Y333-L364 HydrophobicContact CG-CD1 4.36Å; Y333-L367 HydrophobicContact CD1-CB 3.99Å; Y333-L367 HydrophobicContact CE1-CB 3.82Å; Y333-L368 HydrophobicContact CD1-CD2 3.93Å; Y333-L368 HydrophobicContact CD1-CG 4.02Å; Y333-L368 HydrophobicContact CD2-CD2 3.74Å; Y333-L368 HydrophobicContact CE1-CD2 3.75Å; Y333-L368 HydrophobicContact CE1-CG 3.96Å; Y333-L368 HydrophobicContact CE2-CD2 3.59Å; Y333-L368 HydrophobicContact CG-CD2 3.94Å; Y333-L368 HydrophobicContact CG-CG 4.38Å; Y333-S371 WeakPolarHBondContact OH-CB 3.39Å; Y333-K377 HydrophobicContact CD2-CB 4.3Å; Y333-K377 HydrophobicContact CE2-CB 4.04Å; Y333-K377 HydrophobicContact CE2-CD 3.91Å; Y333-K377 HydrophobicContact CE2-CG 4.11Å; Y333-I378 PolarHBondContact N-O 3.36Å; Y333-V379 CarbonylContact O-C 3.56Å; Y333-V379 WeakPolarHBondContact O-CA 3.43Å; Y333-A380 PolarHBondContact O-N 3.13Å
334S98.5Very high95.9Very high3 Ų339.2 Ų39.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-110129.9-172.7177.20000110.3N338 Y354 I355 F356S334-N338 PolarHBondContact OG-ND2 3.39Å; S334-Y354 PolarHBondContact N-O 3.1Å; S334-I355 VanDerWaalsContact O-CA 3.31Å; S334-I355 WeakPolarHBondContact O-CA 3.44Å; S334-F356 VanDerWaalsContact C-CD1 3.46Å; S334-F356 WeakPolarHBondContact O-CD1 3.47Å; S334-F356 PolarHBondContact O-N 2.75Å
335D98.1Very high95.8Very high4 Ų439.1 Ų39.12%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-58.2139.3167.4-172.4-73.8000109.6G337 N338 F356 H358 N359 A380 F381D335-G337 PolarHBondContact O-N 3.06Å; D335-G337 WeakPolarHBondContact OD1-CA 3.37Å; D335-G337 PolarHBondContact OD1-N 3.41Å; D335-N338 PolarHBondContact N-ND2 3.29Å; D335-N338 WeakPolarHBondContact O-CB 3.47Å; D335-N338 PolarHBondContact O-N 3.45Å; D335-N338 VanDerWaalsContact O-N 3.16Å; D335-N338 PolarHBondContact O-ND2 3.38Å; D335-F356 HydrophobicContact CB-CE1 4.07Å; D335-F356 HydrophobicContact CB-CE2 3.76Å; D335-F356 HydrophobicContact CB-CZ 3.49Å; D335-F356 VanDerWaalsContact CB-CZ 3.49Å; D335-F356 VanDerWaalsContact OD2-CE2 3.31Å; D335-F356 WeakPolarHBondContact OD2-CE2 3.3Å; D335-H358 IonicContact OD1-CE1 3.45Å; D335-H358 IonicContact OD1-CG 3.1Å; D335-H358 IonicContact OD1-ND1 3.27Å; D335-H358 PolarHBondContact OD1-ND1 2.94Å; D335-H358 WeakPolarHBondContact OD2-CA 3.27Å; D335-H358 IonicContact OD2-ND1 2.71Å; D335-H358 PolarHBondContact OD2-ND1 2.97Å; D335-N359 PolarHBondContact OD2-N 3Å; D335-A380 PolarHBondContact N-O 3.05Å; D335-F381 HydrophobicContact CB-CB 3.91Å
336S94Very high95.8Very high68 Ų6833.1 Ų33.148%0.47621%0.207SC..THydrogen-bonded Turntrans-64.9-21.8-179.161.40000114.2F356 H358S336-F356 WeakPolarHBondContact CB-O 3.3Å; S336-F356 PolarHBondContact N-O 2.91Å; S336-H358 WeakPolarHBondContact OG-CB 3.28Å; S336-H358 PolarHBondContact OG-N 3.49Å
337G90.2Very high95.6Very high20 Ų2035.8 Ų35.821%0.20621%0.212CC..THydrogen-bonded Turntrans-86.9-2.4176.200000114D335 H339 H385D335-G337 PolarHBondContact O-N 3.06Å; D335-G337 WeakPolarHBondContact OD1-CA 3.37Å; D335-G337 PolarHBondContact OD1-N 3.41Å; G337-H339 PolarHBondContact O-N 2.87Å; G337-H385 PolarHBondContact O-CD2 2.84Å; G337-H385 PolarHBondContact O-NE2 2.82Å
338N94.1Very high95.4Very high7 Ų736.2 Ų36.24%0.03722%0.215CC..  trans-53.7137.6-173.5-87.2-18.9000114.7S334 D335 M342 I343 A380 F381S334-N338 PolarHBondContact OG-ND2 3.39Å; D335-N338 PolarHBondContact N-ND2 3.29Å; D335-N338 WeakPolarHBondContact O-CB 3.47Å; D335-N338 PolarHBondContact O-N 3.45Å; D335-N338 VanDerWaalsContact O-N 3.16Å; D335-N338 PolarHBondContact O-ND2 3.38Å; N338-M342 HydrophobicContact CB-CB 4.38Å; N338-M342 HydrophobicContact CB-CE 3.93Å; N338-M342 VanDerWaalsContact OD1-CE 3.3Å; N338-M342 WeakPolarHBondContact OD1-CE 3.34Å; N338-I343 HydrophobicContact CB-CG1 4.38Å; N338-I343 WeakPolarHBondContact O-CD1 3.15Å; N338-A380 PolarHBondContact ND2-O 3.35Å; N338-F381 VanDerWaalsContact OD1-CA 3.27Å; N338-F381 WeakPolarHBondContact OD1-CA 3.23Å
339H94.7Very high95.3Very high68 Ų6831 Ų3132%0.31518%0.182SC..  trans-54.5147.4176.4-172.1-103.2000112.7G337 S341 M342 I343 E382G337-H339 PolarHBondContact O-N 2.87Å; H339-S341 WeakPolarHBondContact ND1-CB 3.29Å; H339-S341 PolarHBondContact ND1-N 2.88Å; H339-S341 PolarHBondContact ND1-OG 2.92Å; H339-S341 PolarHBondContact O-N 3.16Å; H339-M342 HydrophobicContact CB-CE 4.06Å; H339-M342 PolarHBondContact O-N 2.75Å; H339-I343 PolarHBondContact O-N 3.5Å; H339-E382 WeakPolarHBondContact CA-OE1 3.31Å; H339-E382 WeakPolarHBondContact CB-OE1 3.47Å; H339-E382 PolarHBondContact N-OE1 2.89Å
340A88.8Confident95.3Very high58 Ų5838.8 Ų38.848%0.47919%0.193SC..Hα-helixtrans-53.3-31.6-17700000113.9I343 Q344A340-I343 PolarHBondContact O-N 3Å; A340-Q344 VanDerWaalsContact O-CB 3.27Å; A340-Q344 WeakPolarHBondContact O-CB 3.45Å; A340-Q344 PolarHBondContact O-N 3.27Å
341S95.3Very high95.1Very high0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-64.1-38.617659.70000113.3N316 H339 G345N316-S341 WeakPolarHBondContact CB-OG 3.49Å; N316-S341 PolarHBondContact ND2-OG 3.3Å; H339-S341 WeakPolarHBondContact ND1-CB 3.29Å; H339-S341 PolarHBondContact ND1-N 2.88Å; H339-S341 PolarHBondContact ND1-OG 2.92Å; H339-S341 PolarHBondContact O-N 3.16Å; S341-G345 PolarHBondContact O-N 3Å
342M97.8Very high95Very high0 Ų041.8 Ų41.80%021%0.214CC..Hα-helixtrans-72.4-46.3177.3-67.8-171.2-83.600109.8N316 L320 N338 H339 Q344 G345 I346 E382 F409 D411N316-M342 HydrophobicContact CB-CG 3.95Å; L320-M342 HydrophobicContact CD1-CB 3.67Å; L320-M342 HydrophobicContact CD1-CG 3.71Å; N338-M342 HydrophobicContact CB-CB 4.38Å; N338-M342 HydrophobicContact CB-CE 3.93Å; N338-M342 VanDerWaalsContact OD1-CE 3.3Å; N338-M342 WeakPolarHBondContact OD1-CE 3.34Å; H339-M342 HydrophobicContact CB-CE 4.06Å; H339-M342 PolarHBondContact O-N 2.75Å; M342-Q344 PolarHBondContact O-N 2.92Å; M342-G345 PolarHBondContact O-N 2.83Å; M342-I346 WeakPolarHBondContact O-CB 3.37Å; M342-I346 WeakPolarHBondContact O-CD1 3.49Å; M342-I346 WeakPolarHBondContact O-CG1 3.31Å; M342-I346 PolarHBondContact O-N 2.92Å; M342-E382 HydrophobicContact CE-CG 3.39Å; M342-F409 HydrophobicContact CG-CE1 4.2Å; M342-F409 HydrophobicContact SD-CD1 4.05Å; M342-F409 HydrophobicContact SD-CE1 3.89Å; M342-D411 HydrophobicContact CE-CB 3.91Å; M342-D411 HydrophobicContact SD-CB 3.99Å
343I93.9Very high94.9Very high79 Ų7947.2 Ų47.241%0.40524%0.237SC..Hα-helixtrans-54.4-41.2175.1-64.1175.4000111N338 H339 A340 R347N338-I343 HydrophobicContact CB-CG1 4.38Å; N338-I343 WeakPolarHBondContact O-CD1 3.15Å; H339-I343 PolarHBondContact O-N 3.5Å; A340-I343 PolarHBondContact O-N 3Å; I343-R347 WeakPolarHBondContact O-CB 3.5Å; I343-R347 PolarHBondContact O-N 3.04Å
344Q94.4Very high94.9Very high56 Ų5651.4 Ų51.426%0.26225%0.254SS..Hα-helixtrans-62.1-51.4179.5-176.365.3700111.7F313 A340 M342 I346 R347 N348F313-Q344 HydrophobicContact CZ-CB 4.48Å; F313-Q344 HydrophobicContact CZ-CG 4.5Å; A340-Q344 VanDerWaalsContact O-CB 3.27Å; A340-Q344 WeakPolarHBondContact O-CB 3.45Å; A340-Q344 PolarHBondContact O-N 3.27Å; M342-Q344 PolarHBondContact O-N 2.92Å; Q344-I346 PolarHBondContact O-N 3.42Å; Q344-R347 PolarHBondContact O-N 2.95Å; Q344-N348 PolarHBondContact NE2-ND2 2.98Å; Q344-N348 VanDerWaalsContact O-CB 3.27Å; Q344-N348 WeakPolarHBondContact O-CB 3.3Å; Q344-N348 PolarHBondContact O-N 2.91Å; Q344-N348 PolarHBondContact O-ND2 3.02Å
345G95.4Very high94.9Very high0 Ų055.2 Ų55.20%027%0.273CS..Hα-helixtrans-61.6-44.6178.800000112.5D317 S341 M342 N348 S349D317-G345 WeakPolarHBondContact O-CA 3.15Å; D317-G345 WeakPolarHBondContact OD1-CA 3.39Å; D317-G345 PolarHBondContact OD1-N 2.67Å; D317-G345 VanDerWaalsContact OD1-N 3.1Å; S341-G345 PolarHBondContact O-N 3Å; M342-G345 PolarHBondContact O-N 2.83Å; G345-N348 PolarHBondContact O-N 3.06Å; G345-S349 PolarHBondContact O-N 3.5Å; G345-S349 VanDerWaalsContact O-N 3.07Å
346I95.9Very high94.9Very high5 Ų555 Ų553%0.02627%0.272CS..Hα-helixtrans-59.3-51.8176.2-66.5170.5000110.4L320 I332 M342 Q344 N348 S349 K353 A380L320-I346 HydrophobicContact CB-CG1 4.45Å; L320-I346 HydrophobicContact CD1-CD1 4.37Å; L320-I346 HydrophobicContact CD1-CG1 4.19Å; I332-I346 HydrophobicContact CB-CG2 4.4Å; I332-I346 HydrophobicContact CD1-CB 4.21Å; I332-I346 HydrophobicContact CD1-CG1 3.85Å; I332-I346 HydrophobicContact CD1-CG2 4.05Å; I332-I346 HydrophobicContact CG2-CD1 3.78Å; I332-I346 HydrophobicContact CG2-CG1 3.93Å; I332-I346 HydrophobicContact CG2-CG2 4.17Å; M342-I346 WeakPolarHBondContact O-CB 3.37Å; M342-I346 WeakPolarHBondContact O-CD1 3.49Å; M342-I346 WeakPolarHBondContact O-CG1 3.31Å; M342-I346 PolarHBondContact O-N 2.92Å; Q344-I346 PolarHBondContact O-N 3.42Å; I346-N348 PolarHBondContact O-N 3.48Å; I346-S349 PolarHBondContact O-N 3.09Å; I346-S349 PolarHBondContact O-OG 3.29Å; I346-K353 HydrophobicContact CG2-CB 4.09Å; I346-K353 HydrophobicContact CG2-CD 3.95Å; I346-A380 HydrophobicContact CD1-CB 4.4Å
347R92.8Very high95Very high141 Ų14158.3 Ų58.353%0.53227%0.274SS..Hα-helixtrans-63.9-40.6-178.5-175.8179.267175.2-0.8111.9I343 Q344 S349 R350I343-R347 WeakPolarHBondContact O-CB 3.5Å; I343-R347 PolarHBondContact O-N 3.04Å; Q344-R347 PolarHBondContact O-N 2.95Å; R347-S349 VanDerWaalsContact C-N 3.3Å; R347-S349 PolarHBondContact O-N 3.39Å; R347-R350 PolarHBondContact O-N 3.22Å
348N93.3Very high95.2Very high57 Ų5759.3 Ų59.331%0.30527%0.273SS..Hα-helixtrans-69.2-29.4-178.5-69.8-14.8000112.6F321 Q344 G345 I346 R350F321-N348 HydrophobicContact CD2-CB 3.73Å; F321-N348 HydrophobicContact CE2-CB 4.13Å; F321-N348 WeakPolarHBondContact CE2-O 3.46Å; Q344-N348 PolarHBondContact NE2-ND2 2.98Å; Q344-N348 VanDerWaalsContact O-CB 3.27Å; Q344-N348 WeakPolarHBondContact O-CB 3.3Å; Q344-N348 PolarHBondContact O-N 2.91Å; Q344-N348 PolarHBondContact O-ND2 3.02Å; G345-N348 PolarHBondContact O-N 3.06Å; I346-N348 PolarHBondContact O-N 3.48Å; N348-R350 PolarHBondContact O-N 3.22Å
349S94.3Very high95.2Very high1 Ų159.6 Ų59.61%0.00728%0.275CS..Hα-helixtrans-63.6-27.1177.276.60000112.8G345 I346 R347 V351G345-S349 PolarHBondContact O-N 3.5Å; G345-S349 VanDerWaalsContact O-N 3.07Å; I346-S349 PolarHBondContact O-N 3.09Å; I346-S349 PolarHBondContact O-OG 3.29Å; R347-S349 VanDerWaalsContact C-N 3.3Å; R347-S349 PolarHBondContact O-N 3.39Å; S349-V351 PolarHBondContact O-N 3.19Å; S349-V351 WeakPolarHBondContact OG-CG2 3.09Å; S349-V351 PolarHBondContact OG-N 3.25Å
350R95.1Very high95.2Very high222 Ų22258.1 Ų58.184%0.83827%0.269SS*.THydrogen-bonded Turntrans58.719-175.4-54.4-179.4-176.1173.80.2114.4R347 N348R347-R350 PolarHBondContact O-N 3.22Å; N348-R350 PolarHBondContact O-N 3.22Å
351V94.7Very high95.7Very high23 Ų2356.8 Ų56.814%0.13926%0.255CS..  trans-79.3162.7174.2-48.40000111A324 C330 I332 S349 K353A324-V351 HydrophobicContact CB-CG1 4.25Å; A324-V351 HydrophobicContact CB-CG2 4.07Å; A324-V351 WeakPolarHBondContact O-CG1 3.44Å; C330-V351 VanDerWaalsContact O-CB 3.26Å; C330-V351 WeakPolarHBondContact O-CB 3.49Å; C330-V351 WeakPolarHBondContact O-CG2 3.38Å; I332-V351 HydrophobicContact CD1-CG2 3.75Å; I332-V351 HydrophobicContact CG1-CG2 3.76Å; S349-V351 PolarHBondContact O-N 3.19Å; S349-V351 WeakPolarHBondContact OG-CG2 3.09Å; S349-V351 PolarHBondContact OG-N 3.25Å; V351-K353 PolarHBondContact O-N 3.37Å
352P96.9Very high95.8Very high64 Ų6461 Ų6142%0.41629%0.285SS..  trans-52.9132.3172.7-26.635.4000111.8C330 E331 I332 Y354C330-P352 WeakPolarHBondContact O-CD 3.46Å; E331-P352 HydrophobicContact CG-CB 4.31Å; I332-P352 PolarHBondContact N-O 2.75Å; P352-Y354 HydrophobicContact CB-CE2 4.12Å
353K96.8Very high95.8Very high113 Ų11362.4 Ų62.449%0.49129%0.291SS..EExtended strand (participates in β ladder)trans-129.6138.117866.6174.8-178.3-74.10111.4I332 I346 V351I332-K353 CarbonylContact O-C 3.57Å; I332-K353 VanDerWaalsContact O-CA 3.25Å; I332-K353 WeakPolarHBondContact O-CA 3.45Å; I346-K353 HydrophobicContact CG2-CB 4.09Å; I346-K353 HydrophobicContact CG2-CD 3.95Å; V351-K353 PolarHBondContact O-N 3.37Å
354Y97.9Very high96Very high90 Ų9058.6 Ų58.635%0.35327%0.272SS..EExtended strand (participates in β ladder)trans-123.7126.3178.8-55.8-85.4000108.1E331 I332 Y333 S334 P352E331-Y354 HydrophobicContact CB-CE2 4.11Å; E331-Y354 HydrophobicContact CG-CE2 4.06Å; I332-Y354 PolarHBondContact O-N 2.97Å; Y333-Y354 CarbonylContact C-O 3.19Å; Y333-Y354 WeakPolarHBondContact CA-O 3.37Å; Y333-Y354 HydrophobicContact CD1-CD2 4.36Å; Y333-Y354 HydrophobicContact CD1-CG 4.4Å; Y333-Y354 AromaticContact CE1-CD2 3.9Å; Y333-Y354 HydrophobicContact CE1-CD2 3.9Å; Y333-Y354 HydrophobicContact CE1-CG 4.06Å; Y333-Y354 HydrophobicContact CE2-CD2 4.22Å; Y333-Y354 AromaticContact CZ-CD2 3.79Å; S334-Y354 PolarHBondContact N-O 3.1Å; P352-Y354 HydrophobicContact CB-CE2 4.12Å
355I97.6Very high96.2Very high83 Ų8360 Ų6043%0.42627%0.274SS..EExtended strand (participates in β ladder)trans-100.1115.8-177.6-50.3-55000108.5S334S334-I355 VanDerWaalsContact O-CA 3.31Å; S334-I355 WeakPolarHBondContact O-CA 3.44Å
356F98.1Very high96.4Very high1 Ų163.6 Ų63.60%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-91.9159.6172.266.6-88.6000110.7S334 D335 S336 L364 L367 V379 F381 L397S334-F356 VanDerWaalsContact C-CD1 3.46Å; S334-F356 WeakPolarHBondContact O-CD1 3.47Å; S334-F356 PolarHBondContact O-N 2.75Å; D335-F356 HydrophobicContact CB-CE1 4.07Å; D335-F356 HydrophobicContact CB-CE2 3.76Å; D335-F356 HydrophobicContact CB-CZ 3.49Å; D335-F356 VanDerWaalsContact CB-CZ 3.49Å; D335-F356 VanDerWaalsContact OD2-CE2 3.31Å; D335-F356 WeakPolarHBondContact OD2-CE2 3.3Å; S336-F356 WeakPolarHBondContact CB-O 3.3Å; S336-F356 PolarHBondContact N-O 2.91Å; F356-L364 HydrophobicContact CB-CB 4.28Å; F356-L364 HydrophobicContact CD1-CB 4.47Å; F356-L364 HydrophobicContact CD1-CD1 3.79Å; F356-L364 HydrophobicContact CD2-CB 4.14Å; F356-L364 HydrophobicContact CE1-CD1 4Å; F356-L364 HydrophobicContact CG-CB 4.08Å; F356-L364 HydrophobicContact CG-CD1 4.23Å; F356-L367 HydrophobicContact CB-CD1 3.84Å; F356-V379 HydrophobicContact CE1-CG1 4.14Å; F356-V379 HydrophobicContact CZ-CG1 4.44Å; F356-F381 HydrophobicContact CZ-CB 4.27Å; F356-L397 HydrophobicContact CE2-CD2 4.13Å; F356-L397 HydrophobicContact CZ-CD2 4.48Å
357R96.2Very high96.5Very high137 Ų13764.3 Ų64.352%0.51730%0.295SS..PPolyproline II helixtrans-70.9144.4-176.5-77.8-178.1-60.7-113.73.3108.4N359 D360 H363R357-N359 PolarHBondContact O-N 3.43Å; R357-N359 VanDerWaalsContact O-N 3.14Å; R357-D360 HydrophobicContact CB-CB 3.65Å; R357-D360 IonicContact CZ-OD2 3.15Å; R357-D360 IonicContact NE-OD2 2.74Å; R357-D360 PolarHBondContact NE-OD2 2.91Å; R357-D360 IonicContact NH2-OD2 2.67Å; R357-D360 PolarHBondContact NH2-OD2 3.36Å; R357-D360 VanDerWaalsContact O-CB 3.28Å; R357-D360 WeakPolarHBondContact O-CB 3.25Å; R357-D360 PolarHBondContact O-N 3.34Å; R357-H363 PolarHBondContact N-ND1 3.41Å
358H94.4Very high96.7Very high40 Ų4057.6 Ų57.619%0.18527%0.27CS..THydrogen-bonded Turntrans-51120.2-174.7-173.649.2000112.1D335 S336 D360 D388 F611D335-H358 IonicContact OD1-CE1 3.45Å; D335-H358 IonicContact OD1-CG 3.1Å; D335-H358 IonicContact OD1-ND1 3.27Å; D335-H358 PolarHBondContact OD1-ND1 2.94Å; D335-H358 WeakPolarHBondContact OD2-CA 3.27Å; D335-H358 IonicContact OD2-ND1 2.71Å; D335-H358 PolarHBondContact OD2-ND1 2.97Å; S336-H358 WeakPolarHBondContact OG-CB 3.28Å; S336-H358 PolarHBondContact OG-N 3.49Å; H358-D360 PolarHBondContact O-N 3.01Å; H358-D388 IonicContact CD2-OD2 3.86Å; H358-D388 IonicContact NE2-OD2 2.73Å; H358-D388 PolarHBondContact NE2-OD2 2.94Å; H358-F611 AromaticContact CD2-CD1 3.89Å
359N94.3Very high96.9Very high14 Ų1460.4 Ų60.48%0.07528%0.281CS..THydrogen-bonded Turntrans57.121.3-177.6-66.1-41.7000115.7D335 R357 C392D335-N359 PolarHBondContact OD2-N 3Å; R357-N359 PolarHBondContact O-N 3.43Å; R357-N359 VanDerWaalsContact O-N 3.14Å; N359-C392 VanDerWaalsContact OD1-CA 3.23Å; N359-C392 WeakPolarHBondContact OD1-CA 3.32Å; N359-C392 WeakPolarHBondContact OD1-CB 3.49Å
360D96.4Very high97Very high37 Ų3768.7 Ų68.720%0.19831%0.312CS..  trans-96.795.2-178.5-171.1-19.1000111.8R357 H358 S362 H363 L364R357-D360 HydrophobicContact CB-CB 3.65Å; R357-D360 IonicContact CZ-OD2 3.15Å; R357-D360 IonicContact NE-OD2 2.74Å; R357-D360 PolarHBondContact NE-OD2 2.91Å; R357-D360 IonicContact NH2-OD2 2.67Å; R357-D360 PolarHBondContact NH2-OD2 3.36Å; R357-D360 VanDerWaalsContact O-CB 3.28Å; R357-D360 WeakPolarHBondContact O-CB 3.25Å; R357-D360 PolarHBondContact O-N 3.34Å; H358-D360 PolarHBondContact O-N 3.01Å; D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 2.87Å; D360-S362 WeakPolarHBondContact OD1-CB 3.06Å; D360-S362 PolarHBondContact OD1-N 3.45Å; D360-H363 HydrophobicContact CB-CB 4.04Å; D360-H363 PolarHBondContact O-N 3.48Å; D360-H363 PolarHBondContact OD1-N 3.34Å; D360-L364 PolarHBondContact O-N 2.95Å
361V97.6Very high97.1Very high30 Ų3058.9 Ų58.918%0.18228%0.277CS..Hα-helixtrans-59.8-37.8177.5-178.80000111.9L364 R365 P393 E396 L397 V400V361-L364 PolarHBondContact O-N 3.47Å; V361-R365 WeakPolarHBondContact O-CB 3.3Å; V361-R365 PolarHBondContact O-N 3.32Å; V361-P393 HydrophobicContact CG2-CB 4.11Å; V361-P393 HydrophobicContact CG2-CG 3.55Å; V361-E396 HydrophobicContact CG1-CB 4.07Å; V361-E396 HydrophobicContact CG2-CB 3.85Å; V361-L397 HydrophobicContact CG2-CD2 3.9Å; V361-L397 HydrophobicContact CG2-CG 4.06Å; V361-V400 HydrophobicContact CG1-CB 4.39Å; V361-V400 HydrophobicContact CG1-CG2 3.59Å
362S98Very high97.1Very high88 Ų8862 Ų6262%0.61529%0.293SS*.Hα-helixtrans-69.5-42.2-177.4-620000111.3D360 R365 E366D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 2.87Å; D360-S362 WeakPolarHBondContact OD1-CB 3.06Å; D360-S362 PolarHBondContact OD1-N 3.45Å; S362-R365 PolarHBondContact O-N 3.43Å; S362-E366 PolarHBondContact O-N 3.45Å
363H98.2Very high96.9Very high29 Ų2963.3 Ų63.313%0.13430%0.302CS..Hα-helixtrans-67.6-39175.3-171.1-152.9000111.7R357 D360 R365 E366 L367R357-H363 PolarHBondContact N-ND1 3.41Å; D360-H363 HydrophobicContact CB-CB 4.04Å; D360-H363 PolarHBondContact O-N 3.48Å; D360-H363 PolarHBondContact OD1-N 3.34Å; H363-R365 VanDerWaalsContact C-N 3.32Å; H363-R365 PolarHBondContact O-N 2.81Å; H363-E366 IonicContact CD2-OE2 2.95Å; H363-E366 WeakPolarHBondContact O-CB 3.21Å; H363-E366 PolarHBondContact O-N 3.01Å; H363-L367 WeakPolarHBondContact O-CG 3.22Å; H363-L367 PolarHBondContact O-N 3.03Å
364L98.6Very high96.9Very high0 Ų062.4 Ų62.40%031%0.31CS..Hα-helixtrans-57.1-47.2172.6174.162.1000111.1Y333 F356 D360 V361 E366 L367 L368 V379 L397 V400Y333-L364 HydrophobicContact CD1-CD1 4.27Å; Y333-L364 HydrophobicContact CG-CD1 4.36Å; F356-L364 HydrophobicContact CB-CB 4.28Å; F356-L364 HydrophobicContact CD1-CB 4.47Å; F356-L364 HydrophobicContact CD1-CD1 3.79Å; F356-L364 HydrophobicContact CD2-CB 4.14Å; F356-L364 HydrophobicContact CE1-CD1 4Å; F356-L364 HydrophobicContact CG-CB 4.08Å; F356-L364 HydrophobicContact CG-CD1 4.23Å; D360-L364 PolarHBondContact O-N 2.95Å; V361-L364 PolarHBondContact O-N 3.47Å; L364-E366 PolarHBondContact O-N 2.71Å; L364-L367 PolarHBondContact O-N 3Å; L364-L368 HydrophobicContact CD1-CD1 3.7Å; L364-L368 HydrophobicContact CD1-CG 4.06Å; L364-L368 HydrophobicContact CD2-CD1 4.44Å; L364-L368 HydrophobicContact CG-CD1 3.79Å; L364-L368 PolarHBondContact O-N 2.89Å; L364-V379 HydrophobicContact CD1-CG1 3.96Å; L364-V379 HydrophobicContact CD1-CG2 4.21Å; L364-V379 HydrophobicContact CD2-CG1 3.78Å; L364-L397 HydrophobicContact CD2-CD2 3.64Å; L364-V400 HydrophobicContact CD2-CB 4.49Å; L364-V400 HydrophobicContact CD2-CG1 4.04Å; L364-V400 HydrophobicContact CG-CG1 3.96Å
365R98.6Very high96.9Very high84 Ų8459.8 Ų59.832%0.31730%0.303SS..Hα-helixtrans-58.6-46.2176.3-179-178.2-73.9-97.1-4.6111.7V361 S362 H363 L367 L368 Q369 V400 E403 F404V361-R365 WeakPolarHBondContact O-CB 3.3Å; V361-R365 PolarHBondContact O-N 3.32Å; S362-R365 PolarHBondContact O-N 3.43Å; H363-R365 VanDerWaalsContact C-N 3.32Å; H363-R365 PolarHBondContact O-N 2.81Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 2.85Å; R365-L368 PolarHBondContact O-N 3.19Å; R365-Q369 HydrophobicContact CG-CG 4.4Å; R365-Q369 WeakPolarHBondContact O-CB 3.36Å; R365-Q369 VanDerWaalsContact O-CG 3.23Å; R365-Q369 WeakPolarHBondContact O-CG 3.38Å; R365-Q369 PolarHBondContact O-N 3Å; R365-V400 HydrophobicContact CB-CG1 3.89Å; R365-E403 IonicContact CZ-OE1 3.76Å; R365-E403 IonicContact CZ-OE2 3.51Å; R365-E403 VanDerWaalsContact NH1-CD 3.31Å; R365-E403 IonicContact NH1-OE1 3.31Å; R365-E403 PolarHBondContact NH1-OE1 3.07Å; R365-E403 IonicContact NH1-OE2 2.78Å; R365-E403 PolarHBondContact NH1-OE2 2.87Å; R365-E403 IonicContact NH2-OE1 3.71Å; R365-E403 IonicContact NH2-OE2 2.96Å; R365-E403 PolarHBondContact NH2-OE2 3.2Å; R365-F404 HydrophobicContact CG-CE2 4.07Å; R365-F404 HydrophobicContact CG-CZ 4.37Å
366E98.4Very high96.9Very high77 Ų7757.7 Ų57.736%0.3630%0.295SS..Hα-helixtrans-57-41.8177.5-176-167.7156.400112.3S362 H363 L364 R370S362-E366 PolarHBondContact O-N 3.45Å; H363-E366 IonicContact CD2-OE2 2.95Å; H363-E366 WeakPolarHBondContact O-CB 3.21Å; H363-E366 PolarHBondContact O-N 3.01Å; L364-E366 PolarHBondContact O-N 2.71Å; E366-R370 IonicContact OE1-CZ 3.78Å; E366-R370 IonicContact OE1-NH1 2.84Å; E366-R370 IonicContact OE1-NH2 2.77Å; E366-R370 PolarHBondContact OE1-NH2 2.97Å
367L98.2Very high96.9Very high19 Ų1957.8 Ų57.810%0.09930%0.295CS..Hα-helixtrans-71.2-45179.3-64.8174.8000111.6Y333 F356 H363 L364 R365 Q369 R370Y333-L367 HydrophobicContact CD1-CB 3.99Å; Y333-L367 HydrophobicContact CE1-CB 3.82Å; F356-L367 HydrophobicContact CB-CD1 3.84Å; H363-L367 WeakPolarHBondContact O-CG 3.22Å; H363-L367 PolarHBondContact O-N 3.03Å; L364-L367 PolarHBondContact O-N 3Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 2.85Å; L367-Q369 VanDerWaalsContact C-N 3.35Å; L367-Q369 PolarHBondContact O-N 2.93Å; L367-R370 PolarHBondContact O-N 3.23Å
368L98.3Very high97Very high0 Ų051.3 Ų51.30%027%0.271CS..Hα-helixtrans-65.9-34.3-179.6-77.1167.6000112.9Y333 L364 R365 R370 S371 K377 V379 V400 F404 A406Y333-L368 HydrophobicContact CD1-CD2 3.93Å; Y333-L368 HydrophobicContact CD1-CG 4.02Å; Y333-L368 HydrophobicContact CD2-CD2 3.74Å; Y333-L368 HydrophobicContact CE1-CD2 3.75Å; Y333-L368 HydrophobicContact CE1-CG 3.96Å; Y333-L368 HydrophobicContact CE2-CD2 3.59Å; Y333-L368 HydrophobicContact CG-CD2 3.94Å; Y333-L368 HydrophobicContact CG-CG 4.38Å; L364-L368 HydrophobicContact CD1-CD1 3.7Å; L364-L368 HydrophobicContact CD1-CG 4.06Å; L364-L368 HydrophobicContact CD2-CD1 4.44Å; L364-L368 HydrophobicContact CG-CD1 3.79Å; L364-L368 PolarHBondContact O-N 2.89Å; R365-L368 PolarHBondContact O-N 3.19Å; L368-R370 PolarHBondContact O-N 3.34Å; L368-R370 VanDerWaalsContact O-N 3.13Å; L368-S371 PolarHBondContact O-N 3Å; L368-K377 HydrophobicContact CD2-CD 3.86Å; L368-V379 HydrophobicContact CD1-CG2 4.27Å; L368-V379 HydrophobicContact CD2-CG2 4.47Å; L368-V400 HydrophobicContact CD1-CG1 3.88Å; L368-F404 HydrophobicContact CB-CB 3.87Å; L368-F404 HydrophobicContact CB-CD1 4.33Å; L368-F404 HydrophobicContact CB-CD2 3.81Å; L368-F404 HydrophobicContact CB-CG 3.72Å; L368-F404 HydrophobicContact CD1-CB 4.32Å; L368-F404 HydrophobicContact CD1-CD2 4.19Å; L368-F404 HydrophobicContact CD2-CB 4.25Å; L368-F404 HydrophobicContact CG-CB 4.39Å; L368-A406 HydrophobicContact CD2-CB 4.39Å
369Q97.6Very high97.3Very high116 Ų11649.4 Ų49.454%0.54226%0.262SS..THydrogen-bonded Turntrans-59.2-23.4176.5-81.2174.9-9.700113.8R365 L367 S371 F404R365-Q369 HydrophobicContact CG-CG 4.4Å; R365-Q369 WeakPolarHBondContact O-CB 3.36Å; R365-Q369 VanDerWaalsContact O-CG 3.23Å; R365-Q369 WeakPolarHBondContact O-CG 3.38Å; R365-Q369 PolarHBondContact O-N 3Å; L367-Q369 VanDerWaalsContact C-N 3.35Å; L367-Q369 PolarHBondContact O-N 2.93Å; Q369-S371 VanDerWaalsContact C-N 3.32Å; Q369-F404 HydrophobicContact CB-CE1 4.26Å; Q369-F404 HydrophobicContact CG-CE1 3.52Å; Q369-F404 HydrophobicContact CG-CE2 4.34Å; Q369-F404 HydrophobicContact CG-CZ 3.39Å
370R95.9Very high97.5Very high175 Ų17548.7 Ų48.766%0.6626%0.258SS*.THydrogen-bonded Turntrans-84.8-8.6-179.9-62.6174.8-178165.15.7113E366 L367 L368E366-R370 IonicContact OE1-CZ 3.78Å; E366-R370 IonicContact OE1-NH1 2.84Å; E366-R370 IonicContact OE1-NH2 2.77Å; E366-R370 PolarHBondContact OE1-NH2 2.97Å; L367-R370 PolarHBondContact O-N 3.23Å; L368-R370 PolarHBondContact O-N 3.34Å; L368-R370 VanDerWaalsContact O-N 3.13Å
371S95.9Very high97.6Very high16 Ų1647 Ų4711%0.11225%0.249CC..SBendtrans-101.4150.2-175-178.70000112.2E331 Y333 L368 Q369 P373 K377E331-S371 VanDerWaalsContact CD-OG 3.26Å; E331-S371 PolarHBondContact OE1-OG 3.13Å; E331-S371 VanDerWaalsContact OE2-CB 3.27Å; E331-S371 WeakPolarHBondContact OE2-CB 3.14Å; E331-S371 PolarHBondContact OE2-OG 3.11Å; Y333-S371 WeakPolarHBondContact OH-CB 3.39Å; L368-S371 PolarHBondContact O-N 3Å; Q369-S371 VanDerWaalsContact C-N 3.32Å; S371-P373 WeakPolarHBondContact O-CD 3.06Å; S371-K377 WeakPolarHBondContact OG-CE 3.08Å
372D95.1Very high97.6Very high88 Ų8846 Ų4647%0.47124%0.242SC..  trans-70.6123.9175.9-178.7-23.2000109.9S374 V375 K377D372-S374 PolarHBondContact O-N 3.14Å; D372-S374 VanDerWaalsContact O-N 3.08Å; D372-S374 WeakPolarHBondContact OD1-CB 3.33Å; D372-S374 PolarHBondContact OD1-N 2.9Å; D372-S374 PolarHBondContact OD1-OG 3.05Å; D372-S374 PolarHBondContact OD2-OG 3.15Å; D372-V375 HydrophobicContact CB-CG2 3.93Å; D372-V375 PolarHBondContact O-N 2.84Å; D372-K377 WeakPolarHBondContact O-CE 3.34Å; D372-K377 PolarHBondContact O-NZ 2.91Å
373P93.6Very high97.6Very high92 Ų9241.8 Ų41.860%0.59721%0.213SC*.THydrogen-bonded Turntrans-53-28.7177.1-28.336.5000114.8S371 K377S371-P373 WeakPolarHBondContact O-CD 3.06Å; P373-K377 PolarHBondContact O-NZ 2.93Å
374S95.4Very high97.6Very high94 Ų9440.5 Ų40.566%0.65721%0.207SC*.THydrogen-bonded Turntrans-76.8-19-179.670.90000114.5D372D372-S374 PolarHBondContact O-N 3.14Å; D372-S374 VanDerWaalsContact O-N 3.08Å; D372-S374 WeakPolarHBondContact OD1-CB 3.33Å; D372-S374 PolarHBondContact OD1-N 2.9Å; D372-S374 PolarHBondContact OD1-OG 3.05Å; D372-S374 PolarHBondContact OD2-OG 3.15Å
375V97.6Very high97.4Very high36 Ų3641.5 Ų41.522%0.21821%0.212CC..SBendtrans-73.5132175.8174.60000109G329 E331 D372 K377G329-V375 VanDerWaalsContact O-CG1 3.25Å; G329-V375 WeakPolarHBondContact O-CG1 3.49Å; E331-V375 HydrophobicContact CG-CG1 3.93Å; D372-V375 HydrophobicContact CB-CG2 3.93Å; D372-V375 PolarHBondContact O-N 2.84Å; V375-K377 VanDerWaalsContact O-CG 3.3Å; V375-K377 WeakPolarHBondContact O-CG 3.46Å; V375-K377 PolarHBondContact O-NZ 3.08Å
376P98.4Very high96.9Very high38 Ų3837.9 Ų37.925%0.24720%0.199CC..  trans-63136.1174.5-20.932.3000111.6M327 P328 C330 E331M327-P376 HydrophobicContact CB-CB 3.91Å; M327-P376 HydrophobicContact CB-CG 4.19Å; M327-P376 HydrophobicContact CG-CB 4.34Å; M327-P376 HydrophobicContact SD-CB 3.82Å; P328-P376 VanDerWaalsContact O-CD 3.27Å; P328-P376 WeakPolarHBondContact O-CD 3.15Å; C330-P376 CarbonylContact C-O 3.32Å; C330-P376 VanDerWaalsContact CA-O 3.28Å; C330-P376 WeakPolarHBondContact CA-O 3.4Å; E331-P376 PolarHBondContact N-O 3.04Å
377K98.5Very high96.5Very high4 Ų435.6 Ų35.62%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-136.3142.7-177.2-47.1175.4-162.170.20110.9E331 Y333 L368 S371 D372 P373 V375 F404 A406 I407E331-K377 HydrophobicContact CB-CG 4.37Å; E331-K377 CarbonylContact O-C 3.59Å; E331-K377 VanDerWaalsContact O-CA 3.3Å; E331-K377 WeakPolarHBondContact O-CA 3.45Å; Y333-K377 HydrophobicContact CD2-CB 4.3Å; Y333-K377 HydrophobicContact CE2-CB 4.04Å; Y333-K377 HydrophobicContact CE2-CD 3.91Å; Y333-K377 HydrophobicContact CE2-CG 4.11Å; L368-K377 HydrophobicContact CD2-CD 3.86Å; S371-K377 WeakPolarHBondContact OG-CE 3.08Å; D372-K377 WeakPolarHBondContact O-CE 3.34Å; D372-K377 PolarHBondContact O-NZ 2.91Å; P373-K377 PolarHBondContact O-NZ 2.93Å; V375-K377 VanDerWaalsContact O-CG 3.3Å; V375-K377 WeakPolarHBondContact O-CG 3.46Å; V375-K377 PolarHBondContact O-NZ 3.08Å; K377-F404 PolarHBondContact NZ-O 3.41Å; K377-F404 VanDerWaalsContact NZ-O 3.1Å; K377-A406 HydrophobicContact CB-CB 3.58Å; K377-A406 HydrophobicContact CD-CB 4.47Å; K377-A406 WeakPolarHBondContact O-CA 3.36Å; K377-I407 WeakPolarHBondContact O-CG1 3.11Å; K377-I407 PolarHBondContact O-N 2.64Å
378I98.9Very high95.9Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-117.2124169.7-54.7178.4000108.8L320 L323 M327 E331 I332 Y333 I407 F409L320-I378 HydrophobicContact CD2-CG2 4.16Å; L323-I378 HydrophobicContact CB-CD1 4.11Å; M327-I378 HydrophobicContact CE-CD1 3.64Å; M327-I378 HydrophobicContact CE-CG1 3.77Å; E331-I378 PolarHBondContact O-N 2.58Å; I332-I378 CarbonylContact C-O 3.24Å; I332-I378 WeakPolarHBondContact CA-O 3.19Å; I332-I378 HydrophobicContact CG1-CB 4.48Å; Y333-I378 PolarHBondContact N-O 3.36Å; I378-I407 CarbonylContact C-O 3.46Å; I378-I407 WeakPolarHBondContact CA-O 2.98Å; I378-I407 HydrophobicContact CG1-CD1 4.15Å; I378-I407 HydrophobicContact CG1-CG1 3.96Å; I378-F409 HydrophobicContact CG2-CB 3.73Å
379V98.9Very high95.5Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-96.8114.7167.1-177.10000108.2Y333 F356 L364 L368 F381 A401 A406 I407 T408 F409Y333-V379 CarbonylContact O-C 3.56Å; Y333-V379 WeakPolarHBondContact O-CA 3.43Å; F356-V379 HydrophobicContact CE1-CG1 4.14Å; F356-V379 HydrophobicContact CZ-CG1 4.44Å; L364-V379 HydrophobicContact CD1-CG1 3.96Å; L364-V379 HydrophobicContact CD1-CG2 4.21Å; L364-V379 HydrophobicContact CD2-CG1 3.78Å; L368-V379 HydrophobicContact CD1-CG2 4.27Å; L368-V379 HydrophobicContact CD2-CG2 4.47Å; V379-F381 HydrophobicContact CG1-CD1 3.96Å; V379-F381 HydrophobicContact CG1-CE1 4.16Å; V379-A401 HydrophobicContact CB-CB 3.92Å; V379-A401 HydrophobicContact CG1-CB 4.43Å; V379-A401 HydrophobicContact CG2-CB 3.59Å; V379-A406 HydrophobicContact CG2-CB 3.71Å; V379-I407 PolarHBondContact N-O 2.93Å; V379-T408 WeakPolarHBondContact O-CA 3.27Å; V379-F409 PolarHBondContact O-N 2.97Å
380A98.8Very high95.2Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-112.6125.3-175.100000111.6L320 Y333 D335 N338 I346 F409L320-A380 HydrophobicContact CD2-CB 4.3Å; Y333-A380 PolarHBondContact O-N 3.13Å; D335-A380 PolarHBondContact N-O 3.05Å; N338-A380 PolarHBondContact ND2-O 3.35Å; I346-A380 HydrophobicContact CD1-CB 4.4Å; A380-F409 VanDerWaalsContact CA-O 3.32Å; A380-F409 WeakPolarHBondContact CA-O 3.32Å; A380-F409 HydrophobicContact CB-CB 4.16Å; A380-F409 HydrophobicContact CB-CD1 4.42Å
381F98.7Very high95.1Very high0 Ų022.4 Ų22.40%014%0.136CC..EExtended strand (participates in β ladder)trans-155.8162.4179.759.3-86000113D335 N338 F356 V379 C392 L394 L397 T408 F409 V410 D411D335-F381 HydrophobicContact CB-CB 3.91Å; N338-F381 VanDerWaalsContact OD1-CA 3.27Å; N338-F381 WeakPolarHBondContact OD1-CA 3.23Å; F356-F381 HydrophobicContact CZ-CB 4.27Å; V379-F381 HydrophobicContact CG1-CD1 3.96Å; V379-F381 HydrophobicContact CG1-CE1 4.16Å; F381-C392 HydrophobicContact CD2-CB 4.39Å; F381-L394 HydrophobicContact CE2-CD1 3.65Å; F381-L394 HydrophobicContact CZ-CD1 3.93Å; F381-L397 HydrophobicContact CD1-CD1 4.45Å; F381-L397 HydrophobicContact CD2-CD1 3.76Å; F381-L397 HydrophobicContact CE1-CB 3.99Å; F381-L397 HydrophobicContact CE2-CB 4.17Å; F381-L397 HydrophobicContact CE2-CD1 3.83Å; F381-L397 HydrophobicContact CG-CD1 4.08Å; F381-L397 HydrophobicContact CZ-CB 3.74Å; F381-L397 HydrophobicContact CZ-CD1 4.22Å; F381-T408 HydrophobicContact CE1-CG2 4.37Å; F381-F409 PolarHBondContact N-O 3.35Å; F381-F409 VanDerWaalsContact N-O 3.08Å; F381-V410 HydrophobicContact CD2-CG1 4.46Å; F381-V410 HydrophobicContact CE1-CG2 4.08Å; F381-V410 HydrophobicContact CE2-CG1 3.99Å; F381-V410 HydrophobicContact CE2-CG2 4.09Å; F381-V410 HydrophobicContact CZ-CG1 4.42Å; F381-V410 HydrophobicContact CZ-CG2 3.68Å; F381-D411 PolarHBondContact O-N 3.42Å
382E98.4Very high95.1Very high9 Ų921.9 Ų21.94%0.04213%0.132CC..EExtended strand (participates in β ladder)trans-92.7149.4171.4-60-176.9-141.200111.1H339 M342 H385 S386 C392 D411H339-E382 WeakPolarHBondContact CA-OE1 3.31Å; H339-E382 WeakPolarHBondContact CB-OE1 3.47Å; H339-E382 PolarHBondContact N-OE1 2.89Å; M342-E382 HydrophobicContact CE-CG 3.39Å; E382-H385 IonicContact OE1-CD2 3.73Å; E382-H385 IonicContact OE1-NE2 2.76Å; E382-H385 IonicContact OE2-CD2 2.8Å; E382-H385 PolarHBondContact OE2-CD2 2.67Å; E382-S386 PolarHBondContact OE2-N 2.81Å; E382-C392 WeakPolarHBondContact O-CB 3.26Å; E382-D411 HydrophobicContact CG-CB 4.1Å
383T98.1Very high95.1Very high1 Ų118 Ų181%0.00611%0.112CC..SBendtrans-80-68.5169.250.90000111.6V391 C392 L394 V410 D411 E412 I426T383-V391 CarbonylContact O-C 3.56Å; T383-V391 VanDerWaalsContact O-CA 3.25Å; T383-V391 WeakPolarHBondContact O-CA 3.41Å; T383-C392 PolarHBondContact O-N 3.15Å; T383-L394 HydrophobicContact CG2-CD1 4.2Å; T383-L394 HydrophobicContact CG2-CD2 4.33Å; T383-V410 HydrophobicContact CG2-CG1 3.43Å; T383-V410 VanDerWaalsContact CG2-CG1 3.43Å; T383-D411 PolarHBondContact N-O 3.26Å; T383-D411 PolarHBondContact OG1-O 2.91Å; T383-D411 VanDerWaalsContact OG1-O 3.04Å; T383-E412 HydrophobicContact CG2-CG 3.95Å; T383-E412 PolarHBondContact OG1-OE2 3.1Å; T383-I426 HydrophobicContact CG2-CB 4.08Å; T383-I426 HydrophobicContact CG2-CG1 4.46Å
384V97.7Very high95.3Very high1 Ų113.6 Ų13.61%0.0068%0.083CC..BIsolated β-bridgetrans-97.1112.8171.4177.90000108.1A390 V391 H414 A415 Y419 I426 I529V384-A390 WeakPolarHBondContact CA-O 3.34Å; V384-V391 HydrophobicContact CG2-CG2 4.08Å; V384-H414 HydrophobicContact CB-CB 3.85Å; V384-H414 HydrophobicContact CG1-CB 3.81Å; V384-H414 WeakPolarHBondContact O-CB 2.96Å; V384-A415 HydrophobicContact CB-CB 4.36Å; V384-A415 HydrophobicContact CG2-CB 3.78Å; V384-Y419 HydrophobicContact CG2-CD2 4.29Å; V384-Y419 HydrophobicContact CG2-CE2 3.74Å; V384-I426 HydrophobicContact CG2-CD1 3.88Å; V384-I426 HydrophobicContact CG2-CG1 3.84Å; V384-I529 HydrophobicContact CG1-CD1 4.08Å
385H94.1Very high95.4Very high22 Ų2213.3 Ų13.310%0.1027%0.071CC..  trans-78.6137.7-176.2-177.4-112.2000112G337 E382 M387 D388 G389 A390G337-H385 PolarHBondContact O-CD2 2.84Å; G337-H385 PolarHBondContact O-NE2 2.82Å; E382-H385 IonicContact OE1-CD2 3.73Å; E382-H385 IonicContact OE1-NE2 2.76Å; E382-H385 IonicContact OE2-CD2 2.8Å; E382-H385 PolarHBondContact OE2-CD2 2.67Å; H385-M387 PolarHBondContact O-N 3.24Å; H385-D388 WeakPolarHBondContact CB-OD1 3.35Å; H385-D388 IonicContact CE1-OD2 2.65Å; H385-D388 PolarHBondContact CE1-OD2 3.42Å; H385-D388 IonicContact CG-OD1 2.66Å; H385-D388 IonicContact CG-OD2 3.92Å; H385-D388 IonicContact ND1-OD1 3.55Å; H385-D388 PolarHBondContact ND1-OD1 2.92Å; H385-D388 IonicContact ND1-OD2 2.65Å; H385-D388 PolarHBondContact ND1-OD2 2.73Å; H385-G389 PolarHBondContact O-N 2.99Å; H385-A390 PolarHBondContact N-O 3.08Å
386S88.6Confident95.5Very high7 Ų714.8 Ų14.85%0.0498%0.076CC..THydrogen-bonded Turntrans-64-32.1-163.668.10000115.6E382 H414 R571E382-S386 PolarHBondContact OE2-N 2.81Å; S386-H414 VanDerWaalsContact CB-CD2 3.46Å; S386-H414 WeakPolarHBondContact CB-CD2 3.48Å; S386-H414 WeakPolarHBondContact CB-NE2 3.32Å; S386-R571 PolarHBondContact O-NE 2.73Å; S386-R571 PolarHBondContact O-NH2 2.65Å
387M89.6Confident95.5Very high30 Ų3013 Ų1315%0.1486%0.064CC..THydrogen-bonded Turntrans-110.7-42.3-170-67-56.3121.900114H385 P531 I558 T562 V563H385-M387 PolarHBondContact O-N 3.24Å; M387-P531 VanDerWaalsContact O-CG 3.3Å; M387-P531 WeakPolarHBondContact O-CG 3.04Å; M387-I558 HydrophobicContact SD-CG2 3.83Å; M387-T562 HydrophobicContact CE-CG2 4.04Å; M387-T562 HydrophobicContact CG-CG2 3.98Å; M387-T562 HydrophobicContact SD-CG2 3.58Å; M387-T562 VanDerWaalsContact SD-CG2 3.58Å; M387-V563 HydrophobicContact CB-CG1 3.85Å; M387-V563 HydrophobicContact CG-CG1 3.89Å; M387-V563 HydrophobicContact SD-CG1 4.46Å
388D86.6Confident95.5Very high21 Ų2112.8 Ų12.811%0.1126%0.064CC..THydrogen-bonded Turntrans-90.9-11.2-177.460.824.6000114H358 H385 A390 C525 P531 F611H358-D388 IonicContact CD2-OD2 3.86Å; H358-D388 IonicContact NE2-OD2 2.73Å; H358-D388 PolarHBondContact NE2-OD2 2.94Å; H385-D388 WeakPolarHBondContact CB-OD1 3.35Å; H385-D388 IonicContact CE1-OD2 2.65Å; H385-D388 PolarHBondContact CE1-OD2 3.42Å; H385-D388 IonicContact CG-OD1 2.66Å; H385-D388 IonicContact CG-OD2 3.92Å; H385-D388 IonicContact ND1-OD1 3.55Å; H385-D388 PolarHBondContact ND1-OD1 2.92Å; H385-D388 IonicContact ND1-OD2 2.65Å; H385-D388 PolarHBondContact ND1-OD2 2.73Å; D388-A390 PolarHBondContact O-N 3.29Å; D388-A390 VanDerWaalsContact OD1-CB 3.24Å; D388-A390 WeakPolarHBondContact OD1-CB 3.43Å; D388-A390 PolarHBondContact OD1-N 3.37Å; D388-C525 WeakPolarHBondContact O-CB 3.38Å; D388-C525 PolarHBondContact O-SG 3.39Å; D388-P531 WeakPolarHBondContact O-CG 3.47Å; D388-F611 HydrophobicContact CB-CE1 4.06Å; D388-F611 HydrophobicContact CB-CE2 3.64Å; D388-F611 HydrophobicContact CB-CZ 3.35Å
389G88.8Confident95.5Very high0 Ų016 Ų160%08%0.081CC..  trans67.716.1-178.900000114.6H385 C525 S527H385-G389 PolarHBondContact O-N 2.99Å; G389-C525 VanDerWaalsContact O-CB 3.31Å; G389-C525 WeakPolarHBondContact O-CB 3.3Å; G389-S527 VanDerWaalsContact C-OG 3.28Å; G389-S527 WeakPolarHBondContact CA-OG 3.32Å; G389-S527 WeakPolarHBondContact O-CB 3.46Å; G389-S527 PolarHBondContact O-N 2.88Å; G389-S527 PolarHBondContact O-OG 3.15Å
390A91.3Very high95.5Very high1 Ų116.2 Ų16.21%0.0088%0.082CC..  trans-62.9153.3171.900000111.1V384 H385 D388 F611V384-A390 WeakPolarHBondContact CA-O 3.34Å; H385-A390 PolarHBondContact N-O 3.08Å; D388-A390 PolarHBondContact O-N 3.29Å; D388-A390 VanDerWaalsContact OD1-CB 3.24Å; D388-A390 WeakPolarHBondContact OD1-CB 3.43Å; D388-A390 PolarHBondContact OD1-N 3.37Å; A390-F611 HydrophobicContact CB-CB 4.05Å; A390-F611 HydrophobicContact CB-CD2 3.82Å; A390-F611 HydrophobicContact CB-CG 3.91Å
391V95Very high95.5Very high10 Ų1016.2 Ų16.26%0.0618%0.082CC..BIsolated β-bridgetrans-120.8126.7169.6179.30000107.5T383 V384 I426 P526T383-V391 CarbonylContact O-C 3.56Å; T383-V391 VanDerWaalsContact O-CA 3.25Å; T383-V391 WeakPolarHBondContact O-CA 3.41Å; V384-V391 HydrophobicContact CG2-CG2 4.08Å; V391-I426 HydrophobicContact CG1-CD1 4Å; V391-I426 HydrophobicContact CG1-CG1 4.19Å; V391-I426 HydrophobicContact CG1-CG2 4.22Å; V391-P526 HydrophobicContact CB-CG 3.84Å; V391-P526 HydrophobicContact CG2-CB 4.34Å; V391-P526 HydrophobicContact CG2-CG 3.77Å
392C95.1Very high95.5Very high5 Ų519.5 Ų19.53%0.03410%0.097CC..  trans-68.1153.4-175.678.40000112.5N359 F381 E382 T383 L394 L397N359-C392 VanDerWaalsContact OD1-CA 3.23Å; N359-C392 WeakPolarHBondContact OD1-CA 3.32Å; N359-C392 WeakPolarHBondContact OD1-CB 3.49Å; F381-C392 HydrophobicContact CD2-CB 4.39Å; E382-C392 WeakPolarHBondContact O-CB 3.26Å; T383-C392 PolarHBondContact O-N 3.15Å; C392-L394 PolarHBondContact O-N 2.85Å; C392-L397 HydrophobicContact CB-CD1 3.87Å
393P96.3Very high95.4Very high6 Ų624.2 Ų24.24%0.03912%0.119CC..  trans-72.774.2164.631.2-32.7000109.4V361 E395 E396 L397V361-P393 HydrophobicContact CG2-CB 4.11Å; V361-P393 HydrophobicContact CG2-CG 3.55Å; P393-E395 PolarHBondContact O-N 3.4Å; P393-E396 VanDerWaalsContact C-OE2 3.27Å; P393-E396 WeakPolarHBondContact CA-OE2 3.42Å; P393-E396 HydrophobicContact CB-CB 4.44Å; P393-E396 WeakPolarHBondContact CB-OE2 3.19Å; P393-E396 PolarHBondContact O-N 3.32Å; P393-L397 HydrophobicContact CG-CD1 4.2Å; P393-L397 HydrophobicContact CG-CG 4.16Å; P393-L397 WeakPolarHBondContact O-CB 3.47Å; P393-L397 WeakPolarHBondContact O-CG 3.39Å; P393-L397 PolarHBondContact O-N 3.02Å
394L97.4Very high95.4Very high1 Ų125.7 Ų25.71%0.00513%0.126CC..Hα-helixtrans-57.3-50.1-167.5174.359.5000112.7F381 T383 C392 E396 L397 C398 V410 I426 V432 M436F381-L394 HydrophobicContact CE2-CD1 3.65Å; F381-L394 HydrophobicContact CZ-CD1 3.93Å; T383-L394 HydrophobicContact CG2-CD1 4.2Å; T383-L394 HydrophobicContact CG2-CD2 4.33Å; C392-L394 PolarHBondContact O-N 2.85Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 2.99Å; L394-L397 PolarHBondContact O-N 2.65Å; L394-C398 WeakPolarHBondContact O-CB 3.36Å; L394-C398 PolarHBondContact O-N 3.43Å; L394-C398 PolarHBondContact O-SG 3.07Å; L394-V410 HydrophobicContact CD1-CG1 4.01Å; L394-I426 HydrophobicContact CB-CG2 4.37Å; L394-I426 HydrophobicContact CD2-CB 4.28Å; L394-I426 HydrophobicContact CD2-CG2 3.84Å; L394-V432 HydrophobicContact CD2-CG2 3.53Å; L394-V432 HydrophobicContact CG-CG2 3.85Å; L394-M436 HydrophobicContact CD1-CG 4.23Å; L394-M436 HydrophobicContact CD2-SD 4.05Å
395E98Very high95.4Very high87 Ų8728 Ų2841%0.40715%0.149SC..Hα-helixtrans-61.2-46.5-177.6-178.4163.3-149.800111P393 C398 D399 V432 K435P393-E395 PolarHBondContact O-N 3.4Å; E395-C398 PolarHBondContact O-N 3.49Å; E395-D399 WeakPolarHBondContact O-CB 3.36Å; E395-D399 VanDerWaalsContact O-CG 3.24Å; E395-D399 PolarHBondContact O-N 3.31Å; E395-V432 HydrophobicContact CB-CG1 4.19Å; E395-V432 HydrophobicContact CG-CG1 4.2Å; E395-K435 HydrophobicContact CG-CD 4.3Å; E395-K435 VanDerWaalsContact CG-NZ 3.32Å; E395-K435 IonicContact OE1-NZ 3.68Å; E395-K435 PolarHBondContact OE1-NZ 3.45Å
396E98.3Very high95.6Very high68 Ų6827.1 Ų27.132%0.31815%0.146SC..Hα-helixtrans-69.4-36.2-177.2-5893.4147.500112.6V361 P393 L394 V400 R614V361-E396 HydrophobicContact CG1-CB 4.07Å; V361-E396 HydrophobicContact CG2-CB 3.85Å; P393-E396 VanDerWaalsContact C-OE2 3.27Å; P393-E396 WeakPolarHBondContact CA-OE2 3.42Å; P393-E396 HydrophobicContact CB-CB 4.44Å; P393-E396 WeakPolarHBondContact CB-OE2 3.19Å; P393-E396 PolarHBondContact O-N 3.32Å; L394-E396 VanDerWaalsContact C-N 3.35Å; L394-E396 PolarHBondContact O-N 2.99Å; E396-V400 WeakPolarHBondContact O-CB 3.34Å; E396-V400 WeakPolarHBondContact O-CG2 3.4Å; E396-V400 PolarHBondContact O-N 3.47Å; E396-R614 IonicContact OE1-CZ 3.65Å; E396-R614 IonicContact OE1-NH1 3.21Å; E396-R614 IonicContact OE1-NH2 2.74Å; E396-R614 PolarHBondContact OE1-NH2 3.1Å; E396-R614 IonicContact OE2-NH2 2.6Å
397L98.5Very high96.1Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-65.9-42.7173.4-72.5170.8000111.6F356 V361 L364 F381 C392 P393 L394 A401F356-L397 HydrophobicContact CE2-CD2 4.13Å; F356-L397 HydrophobicContact CZ-CD2 4.48Å; V361-L397 HydrophobicContact CG2-CD2 3.9Å; V361-L397 HydrophobicContact CG2-CG 4.06Å; L364-L397 HydrophobicContact CD2-CD2 3.64Å; F381-L397 HydrophobicContact CD1-CD1 4.45Å; F381-L397 HydrophobicContact CD2-CD1 3.76Å; F381-L397 HydrophobicContact CE1-CB 3.99Å; F381-L397 HydrophobicContact CE2-CB 4.17Å; F381-L397 HydrophobicContact CE2-CD1 3.83Å; F381-L397 HydrophobicContact CG-CD1 4.08Å; F381-L397 HydrophobicContact CZ-CB 3.74Å; F381-L397 HydrophobicContact CZ-CD1 4.22Å; C392-L397 HydrophobicContact CB-CD1 3.87Å; P393-L397 HydrophobicContact CG-CD1 4.2Å; P393-L397 HydrophobicContact CG-CG 4.16Å; P393-L397 WeakPolarHBondContact O-CB 3.47Å; P393-L397 WeakPolarHBondContact O-CG 3.39Å; P393-L397 PolarHBondContact O-N 3.02Å; L394-L397 PolarHBondContact O-N 2.65Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.25Å
398C98.8Very high96.6Very high0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-63.3-47.7175.2-76.20000111.7L394 E395 V400 A401 H402 T408 K435L394-C398 WeakPolarHBondContact O-CB 3.36Å; L394-C398 PolarHBondContact O-N 3.43Å; L394-C398 PolarHBondContact O-SG 3.07Å; E395-C398 PolarHBondContact O-N 3.49Å; C398-V400 VanDerWaalsContact C-N 3.34Å; C398-V400 PolarHBondContact O-N 3.42Å; C398-A401 WeakPolarHBondContact O-CB 3.19Å; C398-A401 PolarHBondContact O-N 3.36Å; C398-A401 VanDerWaalsContact O-N 3.14Å; C398-H402 VanDerWaalsContact O-CG 3.32Å; C398-H402 PolarHBondContact O-N 3.34Å; C398-H402 PolarHBondContact O-ND1 3.14Å; C398-T408 HydrophobicContact CB-CG2 4.43Å; C398-K435 HydrophobicContact CB-CB 3.87Å; C398-K435 HydrophobicContact CB-CD 4.44Å; C398-K435 PolarHBondContact SG-O 2.74Å; C398-K435 VanDerWaalsContact SG-O 3.35Å
399D98.6Very high97.2Very high67 Ų6726.7 Ų26.736%0.35814%0.143SC..Hα-helixtrans-61.5-43.2-178.9-72.7-13.5000111.4E395 H402 E403 K435E395-D399 WeakPolarHBondContact O-CB 3.36Å; E395-D399 VanDerWaalsContact O-CG 3.24Å; E395-D399 PolarHBondContact O-N 3.31Å; D399-H402 PolarHBondContact O-N 3.46Å; D399-E403 VanDerWaalsContact O-CB 3.32Å; D399-E403 WeakPolarHBondContact O-CB 3.49Å; D399-E403 PolarHBondContact O-N 3.44Å; D399-K435 WeakPolarHBondContact OD1-CD 3.33Å; D399-K435 WeakPolarHBondContact OD1-CE 3.5Å; D399-K435 IonicContact OD1-NZ 3.81Å; D399-K435 PolarHBondContact OD1-NZ 3.07Å; D399-K435 IonicContact OD2-NZ 3.44Å; D399-K435 PolarHBondContact OD2-NZ 3.29Å
400V98.4Very high97.6Very high4 Ų426.7 Ų26.72%0.02414%0.143CC..Hα-helixtrans-65.3-40.5174.5168.70000111.7V361 L364 R365 L368 E396 C398 H402 F404V361-V400 HydrophobicContact CG1-CB 4.39Å; V361-V400 HydrophobicContact CG1-CG2 3.59Å; L364-V400 HydrophobicContact CD2-CB 4.49Å; L364-V400 HydrophobicContact CD2-CG1 4.04Å; L364-V400 HydrophobicContact CG-CG1 3.96Å; R365-V400 HydrophobicContact CB-CG1 3.89Å; L368-V400 HydrophobicContact CD1-CG1 3.88Å; E396-V400 WeakPolarHBondContact O-CB 3.34Å; E396-V400 WeakPolarHBondContact O-CG2 3.4Å; E396-V400 PolarHBondContact O-N 3.47Å; C398-V400 VanDerWaalsContact C-N 3.34Å; C398-V400 PolarHBondContact O-N 3.42Å; V400-H402 PolarHBondContact O-N 3.29Å; V400-F404 WeakPolarHBondContact O-CD2 2.9Å
401A98.6Very high98Very high0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-59.8-48.5176.100000111.3V379 L397 C398 F404 G405 A406 T408V379-A401 HydrophobicContact CB-CB 3.92Å; V379-A401 HydrophobicContact CG1-CB 4.43Å; V379-A401 HydrophobicContact CG2-CB 3.59Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.25Å; C398-A401 WeakPolarHBondContact O-CB 3.19Å; C398-A401 PolarHBondContact O-N 3.36Å; C398-A401 VanDerWaalsContact O-N 3.14Å; A401-F404 PolarHBondContact O-N 3.1Å; A401-G405 PolarHBondContact O-N 3.05Å; A401-A406 HydrophobicContact CB-CB 4.25Å; A401-A406 VanDerWaalsContact O-CB 3.31Å; A401-A406 WeakPolarHBondContact O-CB 3.18Å; A401-A406 PolarHBondContact O-N 3.32Å; A401-T408 HydrophobicContact CB-CG2 3.55Å
402H98.6Very high98.2Very high70 Ų7026.4 Ų26.432%0.32414%0.141SC..Hα-helixtrans-68.4-36.3-178.5-64.7158.4000113C398 D399 V400 F404 G405 A406 K435 D437C398-H402 VanDerWaalsContact O-CG 3.32Å; C398-H402 PolarHBondContact O-N 3.34Å; C398-H402 PolarHBondContact O-ND1 3.14Å; D399-H402 PolarHBondContact O-N 3.46Å; V400-H402 PolarHBondContact O-N 3.29Å; H402-F404 PolarHBondContact O-N 2.81Å; H402-F404 VanDerWaalsContact O-N 3.17Å; H402-G405 PolarHBondContact O-N 3.43Å; H402-A406 PolarHBondContact CD2-O 3.01Å; H402-K435 PolarHBondContact CE1-O 3.41Å; H402-D437 IonicContact CD2-OD2 3.11Å; H402-D437 IonicContact CE1-OD2 3.25Å; H402-D437 IonicContact NE2-OD1 2.9Å; H402-D437 IonicContact NE2-OD2 3.81Å; H402-D437 PolarHBondContact NE2-OD2 3.47Å
403E98Very high98.3Very high108 Ų10826.7 Ų26.751%0.50514%0.143SC..Hα-helixtrans-53.3-35175.3-176-178.2155.100112.2R365 D399R365-E403 IonicContact CZ-OE1 3.76Å; R365-E403 IonicContact CZ-OE2 3.51Å; R365-E403 VanDerWaalsContact NH1-CD 3.31Å; R365-E403 IonicContact NH1-OE1 3.31Å; R365-E403 PolarHBondContact NH1-OE1 3.07Å; R365-E403 IonicContact NH1-OE2 2.78Å; R365-E403 PolarHBondContact NH1-OE2 2.87Å; R365-E403 IonicContact NH2-OE1 3.71Å; R365-E403 IonicContact NH2-OE2 2.96Å; R365-E403 PolarHBondContact NH2-OE2 3.2Å; D399-E403 VanDerWaalsContact O-CB 3.32Å; D399-E403 WeakPolarHBondContact O-CB 3.49Å; D399-E403 PolarHBondContact O-N 3.44Å
404F98.1Very high98.4Very high32 Ų3226.7 Ų26.714%0.1414%0.142CC..THydrogen-bonded Turntrans-104.617.1-179.1-65-83.3000114R365 L368 Q369 K377 V400 A401 H402 A406R365-F404 HydrophobicContact CG-CE2 4.07Å; R365-F404 HydrophobicContact CG-CZ 4.37Å; L368-F404 HydrophobicContact CB-CB 3.87Å; L368-F404 HydrophobicContact CB-CD1 4.33Å; L368-F404 HydrophobicContact CB-CD2 3.81Å; L368-F404 HydrophobicContact CB-CG 3.72Å; L368-F404 HydrophobicContact CD1-CB 4.32Å; L368-F404 HydrophobicContact CD1-CD2 4.19Å; L368-F404 HydrophobicContact CD2-CB 4.25Å; L368-F404 HydrophobicContact CG-CB 4.39Å; Q369-F404 HydrophobicContact CB-CE1 4.26Å; Q369-F404 HydrophobicContact CG-CE1 3.52Å; Q369-F404 HydrophobicContact CG-CE2 4.34Å; Q369-F404 HydrophobicContact CG-CZ 3.39Å; K377-F404 PolarHBondContact NZ-O 3.41Å; K377-F404 VanDerWaalsContact NZ-O 3.1Å; V400-F404 WeakPolarHBondContact O-CD2 2.9Å; A401-F404 PolarHBondContact O-N 3.1Å; H402-F404 PolarHBondContact O-N 2.81Å; H402-F404 VanDerWaalsContact O-N 3.17Å; F404-A406 VanDerWaalsContact C-N 3.33Å; F404-A406 PolarHBondContact O-N 2.94Å
405G97.6Very high98.5Very high49 Ų4926.7 Ų26.751%0.50514%0.142SC..THydrogen-bonded Turntrans71.523.1175.400000114.6A401 H402A401-G405 PolarHBondContact O-N 3.05Å; H402-G405 PolarHBondContact O-N 3.43Å
406A98.6Very high98.5Very high3 Ų322.6 Ų22.63%0.02512%0.123CC..EExtended strand (participates in β ladder)trans-91.4147.3174.500000111.5L368 K377 V379 A401 H402 F404L368-A406 HydrophobicContact CD2-CB 4.39Å; K377-A406 HydrophobicContact CB-CB 3.58Å; K377-A406 HydrophobicContact CD-CB 4.47Å; K377-A406 WeakPolarHBondContact O-CA 3.36Å; V379-A406 HydrophobicContact CG2-CB 3.71Å; A401-A406 HydrophobicContact CB-CB 4.25Å; A401-A406 VanDerWaalsContact O-CB 3.31Å; A401-A406 WeakPolarHBondContact O-CB 3.18Å; A401-A406 PolarHBondContact O-N 3.32Å; H402-A406 PolarHBondContact CD2-O 3.01Å; F404-A406 VanDerWaalsContact C-N 3.33Å; F404-A406 PolarHBondContact O-N 2.94Å
407I98.7Very high98.5Very high50 Ų5019.3 Ų19.326%0.25611%0.108SC..EExtended strand (participates in β ladder)trans-89153.6165.863.7173.8000110.4M327 K377 I378 V379 D437 I438M327-I407 HydrophobicContact CE-CD1 4.46Å; K377-I407 WeakPolarHBondContact O-CG1 3.11Å; K377-I407 PolarHBondContact O-N 2.64Å; I378-I407 CarbonylContact C-O 3.46Å; I378-I407 WeakPolarHBondContact CA-O 2.98Å; I378-I407 HydrophobicContact CG1-CD1 4.15Å; I378-I407 HydrophobicContact CG1-CG1 3.96Å; V379-I407 PolarHBondContact N-O 2.93Å; I407-D437 WeakPolarHBondContact CA-OD2 3.31Å; I407-D437 HydrophobicContact CB-CB 4.11Å; I407-I438 HydrophobicContact CD1-CD1 4.05Å
408T98.9Very high98.5Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-100.3130.5-179.755.20000111.9V379 F381 C398 A401 K435 D437 I438V379-T408 WeakPolarHBondContact O-CA 3.27Å; F381-T408 HydrophobicContact CE1-CG2 4.37Å; C398-T408 HydrophobicContact CB-CG2 4.43Å; A401-T408 HydrophobicContact CB-CG2 3.55Å; T408-K435 PolarHBondContact OG1-O 2.81Å; T408-D437 PolarHBondContact N-OD2 2.86Å; T408-D437 PolarHBondContact OG1-N 3.47Å; T408-D437 PolarHBondContact OG1-OD2 3.46Å; T408-I438 PolarHBondContact O-N 2.81Å
409F98.9Very high98.5Very high0 Ų020.2 Ų20.20%011%0.111CC..EExtended strand (participates in β ladder)trans-108.6105167-174.9-79.8000108.2N316 T319 L320 M342 I378 V379 A380 F381 I438N316-F409 HydrophobicContact CB-CZ 4.43Å; N316-F409 WeakPolarHBondContact OD1-CE1 3.38Å; N316-F409 VanDerWaalsContact OD1-CZ 3.3Å; N316-F409 WeakPolarHBondContact OD1-CZ 3.25Å; T319-F409 HydrophobicContact CG2-CD2 4.38Å; T319-F409 HydrophobicContact CG2-CE2 3.78Å; L320-F409 HydrophobicContact CD1-CD1 4.11Å; L320-F409 HydrophobicContact CD1-CE1 3.95Å; L320-F409 HydrophobicContact CD1-CZ 4.21Å; L320-F409 HydrophobicContact CD2-CB 4.08Å; L320-F409 HydrophobicContact CD2-CD1 4.08Å; L320-F409 HydrophobicContact CD2-CD2 3.86Å; L320-F409 HydrophobicContact CD2-CE2 4.35Å; L320-F409 HydrophobicContact CD2-CG 3.72Å; L320-F409 HydrophobicContact CG-CD1 4.23Å; L320-F409 HydrophobicContact CG-CD2 4.05Å; L320-F409 HydrophobicContact CG-CE1 4.21Å; L320-F409 HydrophobicContact CG-CE2 4.02Å; L320-F409 HydrophobicContact CG-CG 4.17Å; L320-F409 HydrophobicContact CG-CZ 4.11Å; M342-F409 HydrophobicContact CG-CE1 4.2Å; M342-F409 HydrophobicContact SD-CD1 4.05Å; M342-F409 HydrophobicContact SD-CE1 3.89Å; I378-F409 HydrophobicContact CG2-CB 3.73Å; V379-F409 PolarHBondContact O-N 2.97Å; A380-F409 VanDerWaalsContact CA-O 3.32Å; A380-F409 WeakPolarHBondContact CA-O 3.32Å; A380-F409 HydrophobicContact CB-CB 4.16Å; A380-F409 HydrophobicContact CB-CD1 4.42Å; F381-F409 PolarHBondContact N-O 3.35Å; F381-F409 VanDerWaalsContact N-O 3.08Å; F409-I438 HydrophobicContact CD2-CB 4.01Å; F409-I438 HydrophobicContact CD2-CD1 4.05Å; F409-I438 HydrophobicContact CD2-CG2 3.72Å; F409-I438 HydrophobicContact CE2-CG2 3.85Å
410V98.9Very high98.5Very high0 Ų017.8 Ų17.80%010%0.103CC..EExtended strand (participates in β ladder)trans-113.6114.6-169.8-172.20000110F381 T383 L394 E412 M436 I438 I439 S440F381-V410 HydrophobicContact CD2-CG1 4.46Å; F381-V410 HydrophobicContact CE1-CG2 4.08Å; F381-V410 HydrophobicContact CE2-CG1 3.99Å; F381-V410 HydrophobicContact CE2-CG2 4.09Å; F381-V410 HydrophobicContact CZ-CG1 4.42Å; F381-V410 HydrophobicContact CZ-CG2 3.68Å; T383-V410 HydrophobicContact CG2-CG1 3.43Å; T383-V410 VanDerWaalsContact CG2-CG1 3.43Å; L394-V410 HydrophobicContact CD1-CG1 4.01Å; V410-E412 HydrophobicContact CG1-CG 4.43Å; V410-M436 HydrophobicContact CB-CE 3.72Å; V410-M436 HydrophobicContact CG1-CE 3.4Å; V410-M436 HydrophobicContact CG2-CB 4.25Å; V410-M436 HydrophobicContact CG2-CE 4.38Å; V410-M436 HydrophobicContact CG2-CG 4.18Å; V410-I438 PolarHBondContact N-O 2.82Å; V410-I439 WeakPolarHBondContact O-CA 3.15Å; V410-S440 PolarHBondContact O-N 3.08Å
411D98.8Very high98.4Very high5 Ų520.5 Ų20.53%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-86.2114.5177.1-173.6-35.9000110.4N316 M342 F381 E382 T383 V413 S440N316-D411 PolarHBondContact ND2-OD2 2.95Å; M342-D411 HydrophobicContact CE-CB 3.91Å; M342-D411 HydrophobicContact SD-CB 3.99Å; F381-D411 PolarHBondContact O-N 3.42Å; E382-D411 HydrophobicContact CG-CB 4.1Å; T383-D411 PolarHBondContact N-O 3.26Å; T383-D411 PolarHBondContact OG1-O 2.91Å; T383-D411 VanDerWaalsContact OG1-O 3.04Å; D411-V413 WeakPolarHBondContact OD1-CB 3.44Å; D411-V413 WeakPolarHBondContact OD1-CG2 3.2Å; D411-V413 PolarHBondContact OD1-N 3.28Å; D411-S440 WeakPolarHBondContact CA-OG 3.42Å; D411-S440 WeakPolarHBondContact CB-OG 3.25Å
412E98.6Very high98.3Very high0 Ų025 Ų250%014%0.142CC..  trans-106.117.5179.4-73.9-98-154.900111.9T383 V410 H414 A415 V416 G425 I426 G427 M436 I439 S440T383-E412 HydrophobicContact CG2-CG 3.95Å; T383-E412 PolarHBondContact OG1-OE2 3.1Å; V410-E412 HydrophobicContact CG1-CG 4.43Å; E412-H414 VanDerWaalsContact C-N 3.27Å; E412-H414 PolarHBondContact O-N 2.98Å; E412-H414 VanDerWaalsContact O-N 3.14Å; E412-A415 HydrophobicContact CB-CB 4.47Å; E412-A415 WeakPolarHBondContact O-CA 3.39Å; E412-A415 PolarHBondContact O-N 3.32Å; E412-A415 WeakPolarHBondContact OE2-CB 3.46Å; E412-V416 HydrophobicContact CB-CG1 3.78Å; E412-V416 WeakPolarHBondContact O-CG1 3.31Å; E412-V416 PolarHBondContact O-N 2.9Å; E412-G425 WeakPolarHBondContact OE2-CA 3.43Å; E412-I426 VanDerWaalsContact CD-N 3.33Å; E412-I426 PolarHBondContact OE1-N 2.86Å; E412-I426 PolarHBondContact OE2-N 3.1Å; E412-G427 PolarHBondContact OE1-N 3.29Å; E412-M436 HydrophobicContact CG-CE 3.53Å; E412-M436 WeakPolarHBondContact OE1-CE 3.13Å; E412-I439 HydrophobicContact CB-CG2 4.13Å; E412-I439 HydrophobicContact CG-CG2 3.98Å; E412-S440 PolarHBondContact N-O 3.49Å
413V98.6Very high98.3Very high11 Ų1121.7 Ų21.77%0.06713%0.127CC..THydrogen-bonded Turntrans-54.5-38.2-173.3160.40000113.9C312 D411 A415 T442 K445C312-V413 HydrophobicContact CB-CG2 3.76Å; C312-V413 WeakPolarHBondContact SG-CG2 2.95Å; D411-V413 WeakPolarHBondContact OD1-CB 3.44Å; D411-V413 WeakPolarHBondContact OD1-CG2 3.2Å; D411-V413 PolarHBondContact OD1-N 3.28Å; V413-A415 VanDerWaalsContact C-N 3.34Å; V413-T442 HydrophobicContact CB-CG2 4.33Å; V413-T442 HydrophobicContact CG1-CG2 3.7Å; V413-T442 HydrophobicContact CG2-CG2 4.42Å; V413-K445 HydrophobicContact CG1-CD 3.76Å
414H98.5Very high98.3Very high6 Ų616.5 Ų16.53%0.02810%0.103CC..THydrogen-bonded Turntrans-93.19.4177.6-77.3-80.5000113.2Y253 V384 S386 E412 L418 K445 H528 R571Y253-H414 AromaticContact CE2-ND1 3.97Å; Y253-H414 AromaticContact CZ-ND1 3.78Å; Y253-H414 PolarHBondContact OH-CE1 3.01Å; Y253-H414 PolarHBondContact OH-ND1 3.19Å; V384-H414 HydrophobicContact CB-CB 3.85Å; V384-H414 HydrophobicContact CG1-CB 3.81Å; V384-H414 WeakPolarHBondContact O-CB 2.96Å; S386-H414 VanDerWaalsContact CB-CD2 3.46Å; S386-H414 WeakPolarHBondContact CB-CD2 3.48Å; S386-H414 WeakPolarHBondContact CB-NE2 3.32Å; E412-H414 VanDerWaalsContact C-N 3.27Å; E412-H414 PolarHBondContact O-N 2.98Å; E412-H414 VanDerWaalsContact O-N 3.14Å; H414-L418 WeakPolarHBondContact O-CD1 3.47Å; H414-K445 PolarHBondContact CE1-NZ 3.19Å; H414-K445 PolarHBondContact NE2-NZ 3.5Å; H414-H528 PolarHBondContact O-CE1 2.87Å; H414-R571 PolarHBondContact CE1-NH2 3.23Å; H414-R571 VanDerWaalsContact CE1-NH2 3.34Å
415A98.6Very high98.3Very high0 Ų015 Ų150%010%0.097CC..THydrogen-bonded Turntrans-125-34.8-174.400000113.6V384 E412 V413 G417 L418 Y419 I426V384-A415 HydrophobicContact CB-CB 4.36Å; V384-A415 HydrophobicContact CG2-CB 3.78Å; E412-A415 HydrophobicContact CB-CB 4.47Å; E412-A415 WeakPolarHBondContact O-CA 3.39Å; E412-A415 PolarHBondContact O-N 3.32Å; E412-A415 WeakPolarHBondContact OE2-CB 3.46Å; V413-A415 VanDerWaalsContact C-N 3.34Å; A415-G417 PolarHBondContact O-N 3.13Å; A415-L418 WeakPolarHBondContact O-CA 3.44Å; A415-L418 WeakPolarHBondContact O-CB 3.26Å; A415-L418 PolarHBondContact O-N 3.01Å; A415-Y419 HydrophobicContact CB-CD2 3.86Å; A415-Y419 HydrophobicContact CB-CE2 4.38Å; A415-Y419 PolarHBondContact O-N 2.9Å; A415-I426 HydrophobicContact CB-CG1 3.95Å
416V98.7Very high98.4Very high1 Ų112.7 Ų12.71%0.0067%0.073CC..THydrogen-bonded Turntrans-54134.2175-64.70000111.2E412 L418 A446 F447 Y453E412-V416 HydrophobicContact CB-CG1 3.78Å; E412-V416 WeakPolarHBondContact O-CG1 3.31Å; E412-V416 PolarHBondContact O-N 2.9Å; V416-L418 PolarHBondContact O-N 2.97Å; V416-A446 WeakPolarHBondContact O-CB 3.5Å; V416-F447 HydrophobicContact CB-CE2 3.86Å; V416-F447 HydrophobicContact CB-CZ 4.18Å; V416-F447 HydrophobicContact CG2-CD2 4.38Å; V416-F447 HydrophobicContact CG2-CE2 3.77Å; V416-Y453 WeakPolarHBondContact CG1-OH 3.17Å
417G98.4Very high98.3Very high0 Ų012.5 Ų12.50%07%0.071CC..THydrogen-bonded Turntrans80.9-22.3-172.100000115.2A415 G423 R501A415-G417 PolarHBondContact O-N 3.13Å; G417-G423 WeakPolarHBondContact CA-O 3.38Å; G417-G423 PolarHBondContact N-O 3.34Å; G417-R501 WeakPolarHBondContact O-CD 3.25Å; G417-R501 WeakPolarHBondContact O-CG 3.49Å; G417-R501 PolarHBondContact O-NH1 3.34Å; G417-R501 VanDerWaalsContact O-NH1 3.11Å
418L98.6Very high98.3Very high3 Ų311.8 Ų11.82%0.0167%0.068CC..THydrogen-bonded Turntrans-104.9-25.9-168.4-62.5179.5000115.3Y253 L254 H414 A415 V416 A446 R501 H528Y253-L418 HydrophobicContact CD2-CD1 3.58Å; Y253-L418 HydrophobicContact CD2-CG 4.44Å; Y253-L418 HydrophobicContact CE2-CD1 4.13Å; Y253-L418 HydrophobicContact CG-CD1 4.01Å; Y253-L418 HydrophobicContact CG-CD2 4.49Å; L254-L418 HydrophobicContact CD1-CD2 3.93Å; L254-L418 HydrophobicContact CD2-CD2 3.71Å; L254-L418 HydrophobicContact CG-CD2 3.66Å; H414-L418 WeakPolarHBondContact O-CD1 3.47Å; A415-L418 WeakPolarHBondContact O-CA 3.44Å; A415-L418 WeakPolarHBondContact O-CB 3.26Å; A415-L418 PolarHBondContact O-N 3.01Å; V416-L418 PolarHBondContact O-N 2.97Å; L418-A446 HydrophobicContact CD2-CB 3.92Å; L418-A446 HydrophobicContact CG-CB 3.84Å; L418-R501 WeakPolarHBondContact O-CD 3.44Å; L418-R501 WeakPolarHBondContact O-CG 3.48Å; L418-H528 WeakPolarHBondContact CD1-CE1 3.32Å
419Y98.4Very high98.2Very high15 Ų1516.9 Ų16.96%0.0599%0.087CC..SBendtrans-127.3152.8-177.4-59.4-90.9000111V384 A415 G423 G424 G425 I426 S527 H528V384-Y419 HydrophobicContact CG2-CD2 4.29Å; V384-Y419 HydrophobicContact CG2-CE2 3.74Å; A415-Y419 HydrophobicContact CB-CD2 3.86Å; A415-Y419 HydrophobicContact CB-CE2 4.38Å; A415-Y419 PolarHBondContact O-N 2.9Å; Y419-G423 CarbonylContact O-C 3.51Å; Y419-G423 VanDerWaalsContact O-C 3.32Å; Y419-G423 WeakPolarHBondContact O-CA 3.26Å; Y419-G424 PolarHBondContact O-N 3.36Å; Y419-G425 CarbonylContact C-O 3.51Å; Y419-G425 VanDerWaalsContact C-O 3.24Å; Y419-G425 WeakPolarHBondContact CB-O 3.4Å; Y419-G425 PolarHBondContact O-N 3.42Å; Y419-G425 VanDerWaalsContact O-N 3.16Å; Y419-I426 HydrophobicContact CD1-CD1 3.68Å; Y419-I426 HydrophobicContact CD2-CD1 3.86Å; Y419-I426 HydrophobicContact CE1-CD1 4.13Å; Y419-I426 HydrophobicContact CE2-CD1 4.32Å; Y419-I426 HydrophobicContact CG-CD1 3.53Å; Y419-S527 WeakPolarHBondContact OH-CA 3.42Å; Y419-H528 AromaticContact CE2-ND1 3.74Å; Y419-H528 AromaticContact CZ-ND1 3.79Å; Y419-H528 PolarHBondContact OH-N 3.17Å; Y419-H528 VanDerWaalsContact OH-N 3.13Å; Y419-H528 PolarHBondContact OH-ND1 2.97Å
420G97.6Very high98.2Very high17 Ų1720.2 Ų20.218%0.17511%0.105CC..SBendtrans84.4167.1-177.400000115R422 G423 D428 R501G420-R422 VanDerWaalsContact C-N 3.31Å; G420-R422 PolarHBondContact O-N 2.97Å; G420-G423 PolarHBondContact O-N 3.45Å; G420-D428 VanDerWaalsContact CA-CG 3.49Å; G420-D428 VanDerWaalsContact CA-OD2 3.24Å; G420-D428 WeakPolarHBondContact CA-OD2 3.1Å; G420-R501 PolarHBondContact O-NE 3.35Å
421A96.5Very high98.1Very high61 Ų6123.2 Ų23.250%0.50414%0.136SC..SBendtrans-68.3-35.2-174.900000111.7D428 R498 R501A421-D428 PolarHBondContact N-OD1 2.84Å; A421-D428 PolarHBondContact N-OD2 3.48Å; A421-D428 VanDerWaalsContact N-OD2 3.14Å; A421-R498 VanDerWaalsContact O-CG 3.31Å; A421-R498 WeakPolarHBondContact O-CG 3.47Å; A421-R501 PolarHBondContact O-NH2 3.26Å
422R97.7Very high98Very high93 Ų9323.3 Ų23.335%0.35114%0.136SC..SBendtrans-101.5-4.2179.5-66.2171.458.2148.9-0.5112.4D299 L300 G420 D428 K493D299-R422 PolarHBondContact O-NH2 3.47Å; D299-R422 IonicContact OD1-CZ 3.65Å; D299-R422 IonicContact OD1-NH1 3.8Å; D299-R422 IonicContact OD1-NH2 2.67Å; D299-R422 PolarHBondContact OD1-NH2 2.91Å; D299-R422 VanDerWaalsContact OD1-NH2 3.09Å; D299-R422 IonicContact OD2-CZ 3.96Å; D299-R422 IonicContact OD2-NH2 3.73Å; D299-R422 PolarHBondContact OD2-NH2 3.08Å; L300-R422 HydrophobicContact CD1-CB 4.35Å; G420-R422 VanDerWaalsContact C-N 3.31Å; G420-R422 PolarHBondContact O-N 2.97Å; R422-D428 WeakPolarHBondContact CA-OD2 3.32Å; R422-D428 PolarHBondContact N-OD2 2.96Å; R422-K493 HydrophobicContact CB-CG 4.43Å; R422-K493 VanDerWaalsContact O-CA 3.27Å; R422-K493 WeakPolarHBondContact O-CA 3.41Å; R422-K493 WeakPolarHBondContact O-CG 3.24Å
423G98.2Very high98Very high1 Ų124.4 Ų24.41%0.0114%0.142CC..SBendtrans78.825.3-174.600000111.9G417 Y419 G420 G425 D428G417-G423 WeakPolarHBondContact CA-O 3.38Å; G417-G423 PolarHBondContact N-O 3.34Å; Y419-G423 CarbonylContact O-C 3.51Å; Y419-G423 VanDerWaalsContact O-C 3.32Å; Y419-G423 WeakPolarHBondContact O-CA 3.26Å; G420-G423 PolarHBondContact O-N 3.45Å; G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.33Å; G423-D428 PolarHBondContact N-OD2 2.99Å
424G97.6Very high97.9Very high0 Ų029 Ų290%017%0.172CC..  trans-72.2-18.917900000113.4H301 Y419 D428H301-G424 PolarHBondContact CE1-O 2.89Å; Y419-G424 PolarHBondContact O-N 3.36Å; G424-D428 PolarHBondContact N-OD2 2.76Å
425G98.4Very high97.9Very high0 Ų031.2 Ų31.20%018%0.182CC..  trans123.4-161.2-176.600000112.8E412 Y419 G423 G427 D428 R429E412-G425 WeakPolarHBondContact OE2-CA 3.43Å; Y419-G425 CarbonylContact C-O 3.51Å; Y419-G425 VanDerWaalsContact C-O 3.24Å; Y419-G425 WeakPolarHBondContact CB-O 3.4Å; Y419-G425 PolarHBondContact O-N 3.42Å; Y419-G425 VanDerWaalsContact O-N 3.16Å; G423-G425 VanDerWaalsContact C-N 3.25Å; G423-G425 PolarHBondContact O-N 3.33Å; G425-G427 VanDerWaalsContact C-N 3.34Å; G425-D428 PolarHBondContact O-N 2.63Å; G425-R429 PolarHBondContact O-N 3.47Å; G425-R429 VanDerWaalsContact O-N 3.12Å
426I98.4Very high97.9Very high0 Ų031.2 Ų31.20%018%0.182CC..Hα-helixtrans-67.3-37.1176.6-62.4-59.2000110.5T383 V384 V391 L394 E412 A415 Y419 D428 R429 D430T383-I426 HydrophobicContact CG2-CB 4.08Å; T383-I426 HydrophobicContact CG2-CG1 4.46Å; V384-I426 HydrophobicContact CG2-CD1 3.88Å; V384-I426 HydrophobicContact CG2-CG1 3.84Å; V391-I426 HydrophobicContact CG1-CD1 4Å; V391-I426 HydrophobicContact CG1-CG1 4.19Å; V391-I426 HydrophobicContact CG1-CG2 4.22Å; L394-I426 HydrophobicContact CB-CG2 4.37Å; L394-I426 HydrophobicContact CD2-CB 4.28Å; L394-I426 HydrophobicContact CD2-CG2 3.84Å; E412-I426 VanDerWaalsContact CD-N 3.33Å; E412-I426 PolarHBondContact OE1-N 2.86Å; E412-I426 PolarHBondContact OE2-N 3.1Å; A415-I426 HydrophobicContact CB-CG1 3.95Å; Y419-I426 HydrophobicContact CD1-CD1 3.68Å; Y419-I426 HydrophobicContact CD2-CD1 3.86Å; Y419-I426 HydrophobicContact CE1-CD1 4.13Å; Y419-I426 HydrophobicContact CE2-CD1 4.32Å; Y419-I426 HydrophobicContact CG-CD1 3.53Å; I426-D428 VanDerWaalsContact C-N 3.29Å; I426-D428 PolarHBondContact O-N 3.29Å; I426-R429 WeakPolarHBondContact O-CB 3.38Å; I426-R429 PolarHBondContact O-N 2.64Å; I426-R429 VanDerWaalsContact O-N 3.08Å; I426-D430 WeakPolarHBondContact CG2-OD2 3.5Å; I426-D430 PolarHBondContact O-N 3.34Å
427G97.9Very high97.9Very high0 Ų033.3 Ų33.30%019%0.193CC..Hα-helixtrans-58.9-37.9173.500000113.5E412 G425 G431 V432 M433E412-G427 PolarHBondContact OE1-N 3.29Å; G425-G427 VanDerWaalsContact C-N 3.34Å; G427-G431 PolarHBondContact O-N 2.91Å; G427-V432 PolarHBondContact O-N 3.28Å; G427-M433 VanDerWaalsContact C-CG 3.43Å; G427-M433 VanDerWaalsContact CA-SD 3.54Å; G427-M433 PolarHBondContact O-N 3.2Å
428D97.9Very high98Very high34 Ų3433.3 Ų33.318%0.18219%0.193CC..Hα-helixtrans-71.8-33.3175.417626.6000111.3G420 A421 R422 G423 G424 G425 I426 M433G420-D428 VanDerWaalsContact CA-CG 3.49Å; G420-D428 VanDerWaalsContact CA-OD2 3.24Å; G420-D428 WeakPolarHBondContact CA-OD2 3.1Å; A421-D428 PolarHBondContact N-OD1 2.84Å; A421-D428 PolarHBondContact N-OD2 3.48Å; A421-D428 VanDerWaalsContact N-OD2 3.14Å; R422-D428 WeakPolarHBondContact CA-OD2 3.32Å; R422-D428 PolarHBondContact N-OD2 2.96Å; G423-D428 PolarHBondContact N-OD2 2.99Å; G424-D428 PolarHBondContact N-OD2 2.76Å; G425-D428 PolarHBondContact O-N 2.63Å; I426-D428 VanDerWaalsContact C-N 3.29Å; I426-D428 PolarHBondContact O-N 3.29Å; D428-M433 HydrophobicContact CB-CG 4.36Å; D428-M433 HydrophobicContact CB-SD 4.31Å; D428-M433 PolarHBondContact N-SD 2.87Å
429R97.7Very high98Very high108 Ų10833.1 Ų33.141%0.40819%0.192SC..Hα-helixtrans-65.7-44.7173.9-174.6-166.170.5-176.7-2111.8G425 I426G425-R429 PolarHBondContact O-N 3.47Å; G425-R429 VanDerWaalsContact O-N 3.12Å; I426-R429 WeakPolarHBondContact O-CB 3.38Å; I426-R429 PolarHBondContact O-N 2.64Å; I426-R429 VanDerWaalsContact O-N 3.08Å
430D97.3Very high98Very high69 Ų6932.4 Ų32.437%0.36919%0.189SC..Hα-helixtrans-92.9-7.8-170.6-64-11.7000112.5I426 V432I426-D430 WeakPolarHBondContact CG2-OD2 3.5Å; I426-D430 PolarHBondContact O-N 3.34Å; D430-V432 VanDerWaalsContact C-N 3.31Å; D430-V432 HydrophobicContact CB-CG1 4.5Å; D430-V432 HydrophobicContact CB-CG2 3.99Å
431G97.5Very high98Very high63 Ų6331.6 Ų31.665%0.64918%0.181SC*.THydrogen-bonded Turntrans75.917.9-179.800000113.9G427G427-G431 PolarHBondContact O-N 2.91Å
432V97.5Very high98.2Very high7 Ų729.4 Ų29.44%0.04216%0.161CC..  trans-110.315-173.3-59.20000113.8L394 E395 G427 D430 P434 K435L394-V432 HydrophobicContact CD2-CG2 3.53Å; L394-V432 HydrophobicContact CG-CG2 3.85Å; E395-V432 HydrophobicContact CB-CG1 4.19Å; E395-V432 HydrophobicContact CG-CG1 4.2Å; G427-V432 PolarHBondContact O-N 3.28Å; D430-V432 VanDerWaalsContact C-N 3.31Å; D430-V432 HydrophobicContact CB-CG1 4.5Å; D430-V432 HydrophobicContact CB-CG2 3.99Å; V432-P434 VanDerWaalsContact O-N 3.11Å; V432-K435 HydrophobicContact CB-CD 4.27Å; V432-K435 HydrophobicContact CB-CG 4.45Å; V432-K435 HydrophobicContact CG1-CD 4.39Å; V432-K435 WeakPolarHBondContact O-CB 3.35Å; V432-K435 PolarHBondContact O-N 3.46Å
433M97.3Very high98.2Very high23 Ų2325 Ų2511%0.11314%0.144CC..G310 helixtrans-45.1-39.2173-68-61.5-62.800114.8H301 K303 G427 D428 K435 M436 I439H301-M433 VanDerWaalsContact CA-CE 3.43Å; H301-M433 HydrophobicContact CB-CE 3.7Å; H301-M433 WeakPolarHBondContact ND1-CE 3.47Å; H301-M433 WeakPolarHBondContact O-CE 3.38Å; K303-M433 WeakPolarHBondContact CE-O 3.37Å; K303-M433 PolarHBondContact NZ-O 2.82Å; G427-M433 VanDerWaalsContact C-CG 3.43Å; G427-M433 VanDerWaalsContact CA-SD 3.54Å; G427-M433 PolarHBondContact O-N 3.2Å; D428-M433 HydrophobicContact CB-CG 4.36Å; D428-M433 HydrophobicContact CB-SD 4.31Å; D428-M433 PolarHBondContact N-SD 2.87Å; M433-K435 PolarHBondContact O-N 3.21Å; M433-M436 PolarHBondContact O-N 3.15Å; M433-M436 HydrophobicContact SD-SD 3.97Å; M433-I439 HydrophobicContact CE-CD1 3.27Å; M433-I439 HydrophobicContact SD-CD1 4.26Å
434P97.8Very high98.2Very high108 Ų10826.5 Ų26.570%0.70116%0.16SC*.G310 helixtrans-62.9-27.7176.5-24.736.9000114.1V432 M436V432-P434 VanDerWaalsContact O-N 3.11Å; P434-M436 VanDerWaalsContact C-N 3.28Å; P434-M436 PolarHBondContact O-N 3.47Å
435K98.4Very high98.3Very high52 Ų5228.1 Ų28.123%0.22617%0.167CC..G310 helixtrans-77.6-8179.5-61.4-171.9171.5-175.30113.8E395 C398 D399 H402 T408 V432 M433E395-K435 HydrophobicContact CG-CD 4.3Å; E395-K435 VanDerWaalsContact CG-NZ 3.32Å; E395-K435 IonicContact OE1-NZ 3.68Å; E395-K435 PolarHBondContact OE1-NZ 3.45Å; C398-K435 HydrophobicContact CB-CB 3.87Å; C398-K435 HydrophobicContact CB-CD 4.44Å; C398-K435 PolarHBondContact SG-O 2.74Å; C398-K435 VanDerWaalsContact SG-O 3.35Å; D399-K435 WeakPolarHBondContact OD1-CD 3.33Å; D399-K435 WeakPolarHBondContact OD1-CE 3.5Å; D399-K435 IonicContact OD1-NZ 3.81Å; D399-K435 PolarHBondContact OD1-NZ 3.07Å; D399-K435 IonicContact OD2-NZ 3.44Å; D399-K435 PolarHBondContact OD2-NZ 3.29Å; H402-K435 PolarHBondContact CE1-O 3.41Å; T408-K435 PolarHBondContact OG1-O 2.81Å; V432-K435 HydrophobicContact CB-CD 4.27Å; V432-K435 HydrophobicContact CB-CG 4.45Å; V432-K435 HydrophobicContact CG1-CD 4.39Å; V432-K435 WeakPolarHBondContact O-CB 3.35Å; V432-K435 PolarHBondContact O-N 3.46Å; M433-K435 PolarHBondContact O-N 3.21Å
436M98.6Very high98.3Very high0 Ų028.1 Ų28.10%017%0.167CC..  trans-97.9107.6-179.5-59.2163.372.900110.1K303 L394 V410 E412 M433 P434 I439K303-M436 WeakPolarHBondContact CE-O 3.44Å; K303-M436 PolarHBondContact NZ-O 3.16Å; L394-M436 HydrophobicContact CD1-CG 4.23Å; L394-M436 HydrophobicContact CD2-SD 4.05Å; V410-M436 HydrophobicContact CB-CE 3.72Å; V410-M436 HydrophobicContact CG1-CE 3.4Å; V410-M436 HydrophobicContact CG2-CB 4.25Å; V410-M436 HydrophobicContact CG2-CE 4.38Å; V410-M436 HydrophobicContact CG2-CG 4.18Å; E412-M436 HydrophobicContact CG-CE 3.53Å; E412-M436 WeakPolarHBondContact OE1-CE 3.13Å; M433-M436 PolarHBondContact O-N 3.15Å; M433-M436 HydrophobicContact SD-SD 3.97Å; P434-M436 VanDerWaalsContact C-N 3.28Å; P434-M436 PolarHBondContact O-N 3.47Å; M436-I439 HydrophobicContact CB-CD1 3.97Å; M436-I439 HydrophobicContact CB-CG1 3.77Å; M436-I439 HydrophobicContact CE-CD1 3.81Å; M436-I439 HydrophobicContact CE-CG1 3.72Å; M436-I439 HydrophobicContact CE-CG2 4.32Å; M436-I439 HydrophobicContact SD-CD1 4.05Å; M436-I439 HydrophobicContact SD-CG1 4.42Å
437D98.9Very high98.3Very high45 Ų4528.2 Ų28.224%0.24117%0.168CC..SBendtrans-72-45.3-172.1-57.3-69.5000111.9H402 I407 T408 S456H402-D437 IonicContact CD2-OD2 3.11Å; H402-D437 IonicContact CE1-OD2 3.25Å; H402-D437 IonicContact NE2-OD1 2.9Å; H402-D437 IonicContact NE2-OD2 3.81Å; H402-D437 PolarHBondContact NE2-OD2 3.47Å; I407-D437 WeakPolarHBondContact CA-OD2 3.31Å; I407-D437 HydrophobicContact CB-CB 4.11Å; T408-D437 PolarHBondContact N-OD2 2.86Å; T408-D437 PolarHBondContact OG1-N 3.47Å; T408-D437 PolarHBondContact OG1-OD2 3.46Å; D437-S456 VanDerWaalsContact O-CB 3.3Å; D437-S456 WeakPolarHBondContact O-CB 3.06Å; D437-S456 PolarHBondContact O-OG 2.84Å
438I98.9Very high98.3Very high0 Ų028.9 Ų28.90%017%0.174CC..EExtended strand (participates in β ladder)trans-126.7122176.7-49.9163.4000107.8T319 L323 I407 T408 F409 V410 I454 L460T319-I438 HydrophobicContact CG2-CG2 4.47Å; L323-I438 HydrophobicContact CD1-CD1 3.52Å; I407-I438 HydrophobicContact CD1-CD1 4.05Å; T408-I438 PolarHBondContact O-N 2.81Å; F409-I438 HydrophobicContact CD2-CB 4.01Å; F409-I438 HydrophobicContact CD2-CD1 4.05Å; F409-I438 HydrophobicContact CD2-CG2 3.72Å; F409-I438 HydrophobicContact CE2-CG2 3.85Å; V410-I438 PolarHBondContact N-O 2.82Å; I438-I454 HydrophobicContact CG2-CB 4.32Å; I438-I454 HydrophobicContact CG2-CG2 4.45Å; I438-L460 HydrophobicContact CD1-CD1 3.76Å; I438-L460 HydrophobicContact CD1-CD2 4.31Å; I438-L460 HydrophobicContact CG1-CD1 3.67Å; I438-L460 HydrophobicContact CG1-CD2 4.12Å
439I98.9Very high98.3Very high0 Ų028.6 Ų28.60%018%0.175CC..EExtended strand (participates in β ladder)trans-107125.4175.3-57.2178.6000108H301 V410 E412 M433 M436 I454 A455H301-I439 HydrophobicContact CB-CD1 4.13Å; V410-I439 WeakPolarHBondContact O-CA 3.15Å; E412-I439 HydrophobicContact CB-CG2 4.13Å; E412-I439 HydrophobicContact CG-CG2 3.98Å; M433-I439 HydrophobicContact CE-CD1 3.27Å; M433-I439 HydrophobicContact SD-CD1 4.26Å; M436-I439 HydrophobicContact CB-CD1 3.97Å; M436-I439 HydrophobicContact CB-CG1 3.77Å; M436-I439 HydrophobicContact CE-CD1 3.81Å; M436-I439 HydrophobicContact CE-CG1 3.72Å; M436-I439 HydrophobicContact CE-CG2 4.32Å; M436-I439 HydrophobicContact SD-CD1 4.05Å; M436-I439 HydrophobicContact SD-CG1 4.42Å; I439-I454 CarbonylContact O-C 3.54Å; I439-I454 WeakPolarHBondContact O-CA 3.17Å; I439-A455 PolarHBondContact N-O 2.91Å; I439-A455 PolarHBondContact O-N 2.84Å
440S98.9Very high98.4Very high0 Ų026.5 Ų26.50%017%0.174CC..EExtended strand (participates in β ladder)trans-104145.5167.879.40000111.3N316 V410 D411 E412 Y453N316-S440 WeakPolarHBondContact OD1-CB 3.1Å; N316-S440 PolarHBondContact OD1-OG 3.49Å; V410-S440 PolarHBondContact O-N 3.08Å; D411-S440 WeakPolarHBondContact CA-OG 3.42Å; D411-S440 WeakPolarHBondContact CB-OG 3.25Å; E412-S440 PolarHBondContact N-O 3.49Å; S440-Y453 WeakPolarHBondContact CA-O 3.42Å
441G98.8Very high98.4Very high0 Ų023.3 Ų23.30%016%0.157CC..EExtended strand (participates in β ladder)trans-152.7165.3-178.400000112.8C312 G452 Y453C312-G441 PolarHBondContact SG-O 3.26Å; G441-G452 CarbonylContact O-C 3.42Å; G441-G452 VanDerWaalsContact O-CA 3.31Å; G441-G452 WeakPolarHBondContact O-CA 3.44Å; G441-Y453 PolarHBondContact N-O 2.91Å; G441-Y453 WeakPolarHBondContact O-CD1 3.38Å; G441-Y453 PolarHBondContact O-N 2.88Å
442T98.8Very high98.5Very high15 Ų1520.3 Ų20.39%0.09213%0.126CC..EExtended strand (participates in β ladder)trans-117.5148.8178.4-169.80000112.1V413 G444 K445 F447 G451V413-T442 HydrophobicContact CB-CG2 4.33Å; V413-T442 HydrophobicContact CG1-CG2 3.7Å; V413-T442 HydrophobicContact CG2-CG2 4.42Å; T442-G444 PolarHBondContact OG1-N 3Å; T442-K445 HydrophobicContact CG2-CB 3.81Å; T442-K445 HydrophobicContact CG2-CD 3.83Å; T442-K445 HydrophobicContact CG2-CG 3.64Å; T442-F447 VanDerWaalsContact O-CD2 3.3Å; T442-F447 WeakPolarHBondContact O-CD2 3.23Å; T442-G451 PolarHBondContact OG1-O 2.85Å
443L98.9Very high98.5Very high0 Ų020 Ų200%012%0.124CC..SBendtrans-89.5-9.3167.6-56177.4000112.3L293 L297 L308 F447 C449 G451 Y453 A485L293-L443 HydrophobicContact CD2-CD1 3.74Å; L297-L443 HydrophobicContact CD1-CD2 4.48Å; L297-L443 HydrophobicContact CD2-CD2 4.33Å; L308-L443 HydrophobicContact CD2-CD1 3.91Å; L443-F447 HydrophobicContact CD2-CD2 4.1Å; L443-F447 WeakPolarHBondContact O-CB 3.38Å; L443-C449 HydrophobicContact CB-CB 4.41Å; L443-C449 CarbonylContact O-C 3.47Å; L443-C449 WeakPolarHBondContact O-CA 3.42Å; L443-C449 PolarHBondContact O-N 2.84Å; L443-G451 PolarHBondContact N-O 2.83Å; L443-Y453 HydrophobicContact CD2-CD1 4.11Å; L443-Y453 HydrophobicContact CD2-CE1 4.11Å; L443-Y453 HydrophobicContact CG-CD1 4.39Å; L443-A485 HydrophobicContact CB-CB 4.5Å; L443-A485 HydrophobicContact CD1-CB 3.93Å; L443-A485 HydrophobicContact CD2-CB 4.31Å; L443-A485 HydrophobicContact CG-CB 4.47Å
444G98.2Very high98.6Very high33 Ų3318.9 Ų18.934%0.3412%0.119SC..SBendtrans-95.87.2-169.200000117.2T442 C449T442-G444 PolarHBondContact OG1-N 3Å; G444-C449 WeakPolarHBondContact CA-O 3.46Å
445K98.7Very high98.7Very high33 Ų3313.7 Ų13.714%0.1439%0.085CC..SBendtrans-115.5-106.6179.8-64.5-176.8178157.90110.8N251 Y253 V413 H414 T442 F447 G448N251-K445 HydrophobicContact CB-CB 4.3Å; N251-K445 HydrophobicContact CB-CD 4.21Å; N251-K445 HydrophobicContact CB-CG 3.8Å; N251-K445 CarbonylContact O-C 3.53Å; N251-K445 WeakPolarHBondContact O-CA 3.04Å; N251-K445 WeakPolarHBondContact O-CB 3.33Å; Y253-K445 HydrophobicContact CD2-CB 4.14Å; Y253-K445 HydrophobicContact CE2-CB 3.9Å; Y253-K445 HydrophobicContact CE2-CD 4.21Å; Y253-K445 HydrophobicContact CE2-CG 4.42Å; V413-K445 HydrophobicContact CG1-CD 3.76Å; H414-K445 PolarHBondContact CE1-NZ 3.19Å; H414-K445 PolarHBondContact NE2-NZ 3.5Å; T442-K445 HydrophobicContact CG2-CB 3.81Å; T442-K445 HydrophobicContact CG2-CD 3.83Å; T442-K445 HydrophobicContact CG2-CG 3.64Å; K445-F447 PolarHBondContact O-N 3.23Å; K445-F447 VanDerWaalsContact O-N 3.16Å; K445-G448 WeakPolarHBondContact O-CA 3.48Å; K445-G448 PolarHBondContact O-N 2.99Å
446A98.7Very high98.7Very high1 Ų111.3 Ų11.31%0.0088%0.075CC..THydrogen-bonded Turntrans-58-32.2-179.300000113.4Y253 L254 M256 V416 L418 G448 L492Y253-A446 HydrophobicContact CD2-CB 4.41Å; L254-A446 HydrophobicContact CD1-CB 4.44Å; M256-A446 WeakPolarHBondContact CB-O 3.48Å; M256-A446 WeakPolarHBondContact CG-O 3.33Å; V416-A446 WeakPolarHBondContact O-CB 3.5Å; L418-A446 HydrophobicContact CD2-CB 3.92Å; L418-A446 HydrophobicContact CG-CB 3.84Å; A446-G448 VanDerWaalsContact C-N 3.3Å; A446-G448 PolarHBondContact O-N 3.37Å; A446-L492 HydrophobicContact CB-CD1 4.45Å
447F98.8Very high98.7Very high2 Ų214.7 Ų14.71%0.00910%0.096CC..THydrogen-bonded Turntrans-76.4-12.1175.3-61.2-56.7000114.1L300 V416 T442 L443 K445 C449 S488 V489 L492L300-F447 HydrophobicContact CD2-CZ 3.91Å; V416-F447 HydrophobicContact CB-CE2 3.86Å; V416-F447 HydrophobicContact CB-CZ 4.18Å; V416-F447 HydrophobicContact CG2-CD2 4.38Å; V416-F447 HydrophobicContact CG2-CE2 3.77Å; T442-F447 VanDerWaalsContact O-CD2 3.3Å; T442-F447 WeakPolarHBondContact O-CD2 3.23Å; L443-F447 HydrophobicContact CD2-CD2 4.1Å; L443-F447 WeakPolarHBondContact O-CB 3.38Å; K445-F447 PolarHBondContact O-N 3.23Å; K445-F447 VanDerWaalsContact O-N 3.16Å; F447-C449 VanDerWaalsContact C-N 3.31Å; F447-C449 PolarHBondContact O-N 3.22Å; F447-S488 VanDerWaalsContact C-OG 3.31Å; F447-S488 VanDerWaalsContact CA-OG 3.28Å; F447-S488 WeakPolarHBondContact CA-OG 3.39Å; F447-S488 VanDerWaalsContact O-CB 3.31Å; F447-S488 WeakPolarHBondContact O-CB 3.4Å; F447-S488 PolarHBondContact O-OG 3.1Å; F447-V489 HydrophobicContact CD1-CB 4.45Å; F447-V489 HydrophobicContact CD1-CG2 3.75Å; F447-V489 HydrophobicContact CD2-CG2 4.38Å; F447-V489 HydrophobicContact CE1-CB 4.18Å; F447-V489 HydrophobicContact CE1-CG2 3.63Å; F447-V489 HydrophobicContact CE2-CG2 4.25Å; F447-V489 HydrophobicContact CG-CG2 4.16Å; F447-V489 HydrophobicContact CZ-CG2 3.9Å; F447-L492 HydrophobicContact CD1-CD1 3.6Å; F447-L492 HydrophobicContact CD1-CG 4.37Å; F447-L492 HydrophobicContact CE1-CB 4.22Å; F447-L492 HydrophobicContact CE1-CD1 3.79Å; F447-L492 HydrophobicContact CE1-CG 4.46Å
448G98.1Very high98.7Very high13 Ų1315.2 Ų15.213%0.13410%0.103CC..  trans6917170.300000116.7S257 K445 A446S257-G448 WeakPolarHBondContact CA-O 3.23Å; S257-G448 WeakPolarHBondContact CB-O 3.43Å; K445-G448 WeakPolarHBondContact O-CA 3.48Å; K445-G448 PolarHBondContact O-N 2.99Å; A446-G448 VanDerWaalsContact C-N 3.3Å; A446-G448 PolarHBondContact O-N 3.37Å
449C98.3Very high98.7Very high29 Ų2919.2 Ų19.220%0.19613%0.131CC..SBendtrans-114.5-137.7-178.8-64.70000111.1L443 G444 F447 A485L443-C449 HydrophobicContact CB-CB 4.41Å; L443-C449 CarbonylContact O-C 3.47Å; L443-C449 WeakPolarHBondContact O-CA 3.42Å; L443-C449 PolarHBondContact O-N 2.84Å; G444-C449 WeakPolarHBondContact CA-O 3.46Å; F447-C449 VanDerWaalsContact C-N 3.31Å; F447-C449 PolarHBondContact O-N 3.22Å; C449-A485 HydrophobicContact CB-CB 3.97Å; C449-A485 VanDerWaalsContact SG-CA 3.59Å; C449-A485 PolarHBondContact SG-N 2.81Å; C449-A485 VanDerWaalsContact SG-N 3.44Å
450V98.4Very high98.7Very high64 Ų6420.5 Ų20.539%0.38814%0.138SC..  trans-150.8148.2171.3660000109.1L481V450-L481 HydrophobicContact CG1-CD1 3.63Å
451G98.6Very high98.7Very high1 Ų120.5 Ų20.51%0.0114%0.138CC..  trans133.6165.6-175.500000112.6S310 T442 L443S310-G451 WeakPolarHBondContact O-CA 3.41Å; T442-G451 PolarHBondContact OG1-O 2.85Å; L443-G451 PolarHBondContact N-O 2.83Å
452G98.8Very high98.7Very high0 Ų024 Ų240%016%0.156CC..EExtended strand (participates in β ladder)trans-132.5166.7168.700000110.4F309 S311 G441F309-G452 PolarHBondContact N-O 3.22Å; F309-G452 PolarHBondContact O-N 2.89Å; S311-G452 VanDerWaalsContact C-CA 3.45Å; G441-G452 CarbonylContact O-C 3.42Å; G441-G452 VanDerWaalsContact O-CA 3.31Å; G441-G452 WeakPolarHBondContact O-CA 3.44Å
453Y98.9Very high98.7Very high0 Ų025.4 Ų25.40%017%0.165CC..EExtended strand (participates in β ladder)trans-153.2163.8173.263.3-89.2000111.2L297 H301 L307 V416 S440 G441 L443L297-Y453 HydrophobicContact CB-CD2 4.47Å; L297-Y453 HydrophobicContact CD1-CD1 3.72Å; L297-Y453 HydrophobicContact CD1-CD2 4.17Å; L297-Y453 HydrophobicContact CD1-CE1 4.23Å; L297-Y453 HydrophobicContact CD1-CG 3.68Å; L297-Y453 HydrophobicContact CD2-CD1 4.04Å; L297-Y453 HydrophobicContact CD2-CD2 4.49Å; L297-Y453 HydrophobicContact CD2-CE1 3.66Å; L297-Y453 HydrophobicContact CD2-CE2 4.17Å; L297-Y453 HydrophobicContact CD2-CG 4.43Å; L297-Y453 HydrophobicContact CG-CD1 4.48Å; H301-Y453 AromaticContact CD2-CE2 3.63Å; H301-Y453 AromaticContact NE2-CE2 3.26Å; H301-Y453 VanDerWaalsContact NE2-CE2 3.26Å; H301-Y453 WeakPolarHBondContact NE2-CE2 3.44Å; H301-Y453 AromaticContact NE2-CZ 3.46Å; H301-Y453 PolarHBondContact NE2-OH 3.35Å; L307-Y453 WeakPolarHBondContact O-CA 3.27Å; L307-Y453 VanDerWaalsContact O-CB 3.27Å; L307-Y453 WeakPolarHBondContact O-CB 3.31Å; V416-Y453 WeakPolarHBondContact CG1-OH 3.17Å; S440-Y453 WeakPolarHBondContact CA-O 3.42Å; G441-Y453 PolarHBondContact N-O 2.91Å; G441-Y453 WeakPolarHBondContact O-CD1 3.38Å; G441-Y453 PolarHBondContact O-N 2.88Å; L443-Y453 HydrophobicContact CD2-CD1 4.11Å; L443-Y453 HydrophobicContact CD2-CE1 4.11Å; L443-Y453 HydrophobicContact CG-CD1 4.39Å
454I98.9Very high98.6Very high0 Ų025.4 Ų25.40%017%0.165CC..EExtended strand (participates in β ladder)trans-119152.4159.860.7168.6000109.7A306 L307 F309 A315 T319 I438 I439 L460 I461 V464A306-I454 CarbonylContact C-O 3.58Å; A306-I454 WeakPolarHBondContact CA-O 3.36Å; A306-I454 VanDerWaalsContact CB-O 3.29Å; A306-I454 WeakPolarHBondContact CB-O 3.4Å; L307-I454 HydrophobicContact CB-CG1 4.04Å; L307-I454 PolarHBondContact N-O 3.35Å; L307-I454 PolarHBondContact O-N 2.89Å; L307-I454 VanDerWaalsContact O-N 3.1Å; F309-I454 HydrophobicContact CE2-CD1 4.48Å; F309-I454 HydrophobicContact CE2-CG1 4.09Å; A315-I454 HydrophobicContact CB-CG2 4.34Å; T319-I454 HydrophobicContact CG2-CD1 3.84Å; T319-I454 HydrophobicContact CG2-CG2 4.35Å; I438-I454 HydrophobicContact CG2-CB 4.32Å; I438-I454 HydrophobicContact CG2-CG2 4.45Å; I439-I454 CarbonylContact O-C 3.54Å; I439-I454 WeakPolarHBondContact O-CA 3.17Å; I454-L460 HydrophobicContact CD1-CD2 4.48Å; I454-I461 HydrophobicContact CB-CD1 4.41Å; I454-I461 HydrophobicContact CD1-CD1 3.58Å; I454-I461 HydrophobicContact CG1-CD1 3.54Å; I454-V464 HydrophobicContact CD1-CB 4.04Å; I454-V464 HydrophobicContact CD1-CG1 3.9Å; I454-V464 HydrophobicContact CD1-CG2 3.95Å
455A98.9Very high98.7Very high0 Ų027.3 Ų27.30%016%0.162CC..EExtended strand (participates in β ladder)trans-132.2133.2171.100000109.8H301 K303 A305 A306 I439H301-A455 HydrophobicContact CB-CB 4.12Å; K303-A455 HydrophobicContact CB-CB 4.17Å; K303-A455 HydrophobicContact CG-CB 4.14Å; A305-A455 WeakPolarHBondContact O-CA 3.24Å; A306-A455 HydrophobicContact CB-CB 4.02Å; I439-A455 PolarHBondContact N-O 2.91Å; I439-A455 PolarHBondContact O-N 2.84Å
456S98.9Very high98.7Very high2 Ų229.3 Ų29.31%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-167.6-164-174.4-167.60000110.4D304 A305 D437D304-S456 PolarHBondContact N-O 2.9Å; A305-S456 PolarHBondContact N-O 3.38Å; A305-S456 PolarHBondContact O-N 3.36Å; D437-S456 VanDerWaalsContact O-CB 3.3Å; D437-S456 WeakPolarHBondContact O-CB 3.06Å; D437-S456 PolarHBondContact O-OG 2.84Å
457T98.8Very high98.6Very high71 Ų7136.4 Ų36.444%0.43621%0.208SC..  trans-63.5152.1172.965.70000111.4D304 S459 L460 I461D304-T457 WeakPolarHBondContact OD2-CA 3.44Å; T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 2.83Å; T457-L460 PolarHBondContact O-N 3.4Å; T457-L460 WeakPolarHBondContact OG1-CB 3.08Å; T457-L460 PolarHBondContact OG1-N 3.28Å; T457-I461 WeakPolarHBondContact O-CB 3.45Å; T457-I461 WeakPolarHBondContact O-CG1 3.3Å; T457-I461 PolarHBondContact O-N 3.41Å
458S98.6Very high98.6Very high56 Ų5636.3 Ų36.339%0.39221%0.207SC..Hα-helixtrans-57.7-43.9-176.560.50000111.9D304 L460 I461 D462D304-S458 PolarHBondContact OD2-N 3.3Å; S458-L460 PolarHBondContact O-N 3.37Å; S458-I461 PolarHBondContact O-N 3.17Å; S458-D462 VanDerWaalsContact O-CB 3.29Å; S458-D462 WeakPolarHBondContact O-CB 3.48Å; S458-D462 PolarHBondContact O-N 2.86Å
459S98.6Very high98.6Very high84 Ų8438.3 Ų38.359%0.58722%0.223SC*.Hα-helixtrans-65.1-40.6-178.9-59.20000112.8T457 D462 T463T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 2.83Å; S459-D462 PolarHBondContact O-N 3.22Å; S459-T463 WeakPolarHBondContact O-CB 3.37Å; S459-T463 PolarHBondContact O-N 2.76Å; S459-T463 PolarHBondContact O-OG1 3.42Å
460L98.7Very high98.5Very high27 Ų2738.3 Ų38.314%0.14123%0.228CC..Hα-helixtrans-65.8-47.1177.3-173.2151.5000110.6L323 I438 I454 T457 S458 D462 T463 V464L323-L460 HydrophobicContact CD1-CD1 4.24Å; L323-L460 HydrophobicContact CD1-CD2 4.16Å; L323-L460 HydrophobicContact CD1-CG 4.33Å; L323-L460 HydrophobicContact CD2-CG 4.29Å; I438-L460 HydrophobicContact CD1-CD1 3.76Å; I438-L460 HydrophobicContact CD1-CD2 4.31Å; I438-L460 HydrophobicContact CG1-CD1 3.67Å; I438-L460 HydrophobicContact CG1-CD2 4.12Å; I454-L460 HydrophobicContact CD1-CD2 4.48Å; T457-L460 PolarHBondContact O-N 3.4Å; T457-L460 WeakPolarHBondContact OG1-CB 3.08Å; T457-L460 PolarHBondContact OG1-N 3.28Å; S458-L460 PolarHBondContact O-N 3.37Å; L460-D462 VanDerWaalsContact C-N 3.3Å; L460-D462 PolarHBondContact O-N 2.96Å; L460-T463 WeakPolarHBondContact O-CB 3.46Å; L460-T463 PolarHBondContact O-N 3.46Å; L460-V464 HydrophobicContact CD2-CG2 4.08Å; L460-V464 WeakPolarHBondContact O-CG2 3.21Å; L460-V464 PolarHBondContact O-N 3.23Å
461I98.8Very high98.5Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-60-42.6177.4-68.3-61.4000111.2A305 L307 I454 T457 S458 V464 R465A305-I461 HydrophobicContact CB-CB 3.94Å; A305-I461 HydrophobicContact CB-CG1 3.96Å; A305-I461 HydrophobicContact CB-CG2 3.83Å; L307-I461 HydrophobicContact CB-CD1 4.44Å; L307-I461 HydrophobicContact CB-CG2 4.02Å; I454-I461 HydrophobicContact CB-CD1 4.41Å; I454-I461 HydrophobicContact CD1-CD1 3.58Å; I454-I461 HydrophobicContact CG1-CD1 3.54Å; T457-I461 WeakPolarHBondContact O-CB 3.45Å; T457-I461 WeakPolarHBondContact O-CG1 3.3Å; T457-I461 PolarHBondContact O-N 3.41Å; S458-I461 PolarHBondContact O-N 3.17Å; I461-V464 PolarHBondContact O-N 2.93Å; I461-R465 VanDerWaalsContact CG2-NH2 3.33Å; I461-R465 WeakPolarHBondContact O-CB 3.42Å; I461-R465 PolarHBondContact O-N 2.9Å
462D98.6Very high98.5Very high72 Ų7238.3 Ų38.339%0.38522%0.224SC..Hα-helixtrans-68.7-34.5178.5-75.716.7000112.2S458 S459 L460 R465 S466S458-D462 VanDerWaalsContact O-CB 3.29Å; S458-D462 WeakPolarHBondContact O-CB 3.48Å; S458-D462 PolarHBondContact O-N 2.86Å; S459-D462 PolarHBondContact O-N 3.22Å; L460-D462 VanDerWaalsContact C-N 3.3Å; L460-D462 PolarHBondContact O-N 2.96Å; D462-R465 PolarHBondContact O-N 3.33Å; D462-R465 IonicContact OD1-CZ 4Å; D462-R465 VanDerWaalsContact OD1-CZ 3.25Å; D462-R465 IonicContact OD1-NH1 3.95Å; D462-R465 PolarHBondContact OD1-NH1 3.46Å; D462-R465 IonicContact OD1-NH2 2.81Å; D462-R465 PolarHBondContact OD1-NH2 3.47Å; D462-R465 VanDerWaalsContact OD1-NH2 3.11Å; D462-R465 IonicContact OD2-NH1 2.59Å; D462-S466 VanDerWaalsContact O-CB 3.29Å; D462-S466 WeakPolarHBondContact O-CB 3.25Å; D462-S466 PolarHBondContact O-N 3.05Å; D462-S466 PolarHBondContact O-OG 3.4Å
463T98.6Very high98.4Very high46 Ų4646.2 Ų46.228%0.28226%0.259SS..Hα-helixtrans-62.4-51.8170.5-640000110.4M326 S459 L460 R465 S466 Y467M326-T463 HydrophobicContact CE-CG2 3.72Å; M326-T463 HydrophobicContact SD-CG2 3.87Å; S459-T463 WeakPolarHBondContact O-CB 3.37Å; S459-T463 PolarHBondContact O-N 2.76Å; S459-T463 PolarHBondContact O-OG1 3.42Å; L460-T463 WeakPolarHBondContact O-CB 3.46Å; L460-T463 PolarHBondContact O-N 3.46Å; T463-R465 VanDerWaalsContact C-N 3.3Å; T463-R465 PolarHBondContact O-N 3.03Å; T463-S466 PolarHBondContact O-N 3.4Å; T463-S466 VanDerWaalsContact O-N 3.07Å; T463-Y467 HydrophobicContact CG2-CD2 4.02Å; T463-Y467 VanDerWaalsContact O-CD2 3.27Å; T463-Y467 WeakPolarHBondContact O-CD2 3.31Å; T463-Y467 PolarHBondContact O-N 3.27Å
464V98.7Very high98.4Very high0 Ų048.9 Ų48.90%028%0.275CS..Hα-helixtrans-59.9-43.5178.5178.60000110.6L307 F309 T319 L323 I454 L460 I461 S466 Y467 A468L307-V464 HydrophobicContact CD2-CB 4.26Å; L307-V464 HydrophobicContact CD2-CG1 3.93Å; F309-V464 HydrophobicContact CZ-CG1 3.76Å; T319-V464 HydrophobicContact CG2-CG2 4Å; L323-V464 HydrophobicContact CD1-CG2 4.46Å; L323-V464 HydrophobicContact CD2-CG2 4.02Å; L323-V464 HydrophobicContact CG-CG2 4.18Å; I454-V464 HydrophobicContact CD1-CB 4.04Å; I454-V464 HydrophobicContact CD1-CG1 3.9Å; I454-V464 HydrophobicContact CD1-CG2 3.95Å; L460-V464 HydrophobicContact CD2-CG2 4.08Å; L460-V464 WeakPolarHBondContact O-CG2 3.21Å; L460-V464 PolarHBondContact O-N 3.23Å; I461-V464 PolarHBondContact O-N 2.93Å; V464-S466 PolarHBondContact O-N 3.04Å; V464-Y467 PolarHBondContact O-N 3.02Å; V464-A468 HydrophobicContact CG1-CB 3.85Å; V464-A468 WeakPolarHBondContact O-CB 3.32Å; V464-A468 PolarHBondContact O-N 2.92Å
465R98.6Very high98.4Very high73 Ų7353.3 Ų53.328%0.27530%0.302SS..Hα-helixtrans-56.5-36.7176.4-168.9-178.4-52.4114.16.3113L307 I461 D462 T463 F471L307-R465 HydrophobicContact CD1-CB 4Å; L307-R465 HydrophobicContact CD1-CG 3.87Å; L307-R465 HydrophobicContact CD2-CB 3.94Å; I461-R465 VanDerWaalsContact CG2-NH2 3.33Å; I461-R465 WeakPolarHBondContact O-CB 3.42Å; I461-R465 PolarHBondContact O-N 2.9Å; D462-R465 PolarHBondContact O-N 3.33Å; D462-R465 IonicContact OD1-CZ 4Å; D462-R465 VanDerWaalsContact OD1-CZ 3.25Å; D462-R465 IonicContact OD1-NH1 3.95Å; D462-R465 PolarHBondContact OD1-NH1 3.46Å; D462-R465 IonicContact OD1-NH2 2.81Å; D462-R465 PolarHBondContact OD1-NH2 3.47Å; D462-R465 VanDerWaalsContact OD1-NH2 3.11Å; D462-R465 IonicContact OD2-NH1 2.59Å; T463-R465 VanDerWaalsContact C-N 3.3Å; T463-R465 PolarHBondContact O-N 3.03Å; R465-F471 HydrophobicContact CB-CE1 4.33Å; R465-F471 HydrophobicContact CG-CD1 4.21Å; R465-F471 HydrophobicContact CG-CE1 3.41Å; R465-F471 VanDerWaalsContact CG-CE1 3.41Å; R465-F471 HydrophobicContact CG-CZ 3.72Å; R465-F471 WeakPolarHBondContact O-CD1 3.42Å
466S98.4Very high98.3Very high75 Ų7554 Ų5452%0.52431%0.307SS..Hα-helixtrans-88.6-22.2-172.6-55.70000113.8D462 T463 V464 I472D462-S466 VanDerWaalsContact O-CB 3.29Å; D462-S466 WeakPolarHBondContact O-CB 3.25Å; D462-S466 PolarHBondContact O-N 3.05Å; D462-S466 PolarHBondContact O-OG 3.4Å; T463-S466 PolarHBondContact O-N 3.4Å; T463-S466 VanDerWaalsContact O-N 3.07Å; V464-S466 PolarHBondContact O-N 3.04Å; S466-I472 WeakPolarHBondContact O-CD1 3.27Å
467Y98.5Very high98.3Very high149 Ų14954.8 Ų54.858%0.58431%0.311SS*.Hα-helixtrans-123.1-16.7-171.7-67.2-84.4000114.7M326 T463 V464 A469M326-Y467 HydrophobicContact CE-CD1 4.11Å; M326-Y467 HydrophobicContact CE-CD2 3.69Å; M326-Y467 HydrophobicContact CE-CE1 4.28Å; M326-Y467 HydrophobicContact CE-CE2 3.89Å; M326-Y467 HydrophobicContact CE-CG 3.82Å; M326-Y467 HydrophobicContact SD-CD1 4.32Å; M326-Y467 HydrophobicContact SD-CD2 4.08Å; M326-Y467 HydrophobicContact SD-CG 3.8Å; T463-Y467 HydrophobicContact CG2-CD2 4.02Å; T463-Y467 VanDerWaalsContact O-CD2 3.27Å; T463-Y467 WeakPolarHBondContact O-CD2 3.31Å; T463-Y467 PolarHBondContact O-N 3.27Å; V464-Y467 PolarHBondContact O-N 3.02Å; Y467-A469 PolarHBondContact O-N 3.2Å
468A98.3Very high98.3Very high0 Ų053 Ų530%030%0.3CS..  trans-76.8107.3-177.900000112.2T322 V464 G470 F471 I472T322-A468 WeakPolarHBondContact OG1-CA 3.29Å; V464-A468 HydrophobicContact CG1-CB 3.85Å; V464-A468 WeakPolarHBondContact O-CB 3.32Å; V464-A468 PolarHBondContact O-N 2.92Å; A468-G470 VanDerWaalsContact C-N 3.28Å; A468-G470 PolarHBondContact O-N 2.97Å; A468-F471 HydrophobicContact CB-CB 4.06Å; A468-F471 WeakPolarHBondContact O-CB 3.3Å; A468-F471 PolarHBondContact O-N 3.42Å; A468-I472 WeakPolarHBondContact O-CG1 3.42Å; A468-I472 PolarHBondContact O-N 3.45Å
469A97.6Very high98.3Very high56 Ų5650.7 Ų50.746%0.46328%0.284SS..Hα-helixtrans-57.1-39.6179.500000113.1Y467 F471 I472 F473Y467-A469 PolarHBondContact O-N 3.2Å; A469-F471 PolarHBondContact O-N 2.87Å; A469-I472 PolarHBondContact O-N 2.92Å; A469-F473 HydrophobicContact CB-CD2 4.01Å; A469-F473 HydrophobicContact CB-CE2 4.33Å; A469-F473 PolarHBondContact O-N 3.22Å
470G96.8Very high98.3Very high29 Ų2948.3 Ų48.330%0.29926%0.264SS..Hα-helixtrans-66.4-13.5176.900000114.6A468 T474A468-G470 VanDerWaalsContact C-N 3.28Å; A468-G470 PolarHBondContact O-N 2.97Å; G470-T474 WeakPolarHBondContact O-CG2 3.2Å
471F98.4Very high98.3Very high15 Ų1549.3 Ų49.37%0.06627%0.27CS..Hα-helixtrans-93.1-44.9169.4173.6-96000112.2R281 L307 L308 F309 R465 A468 A469R281-F471 HydrophobicContact CB-CE1 4.31Å; R281-F471 HydrophobicContact CB-CZ 4.03Å; R281-F471 HydrophobicContact CG-CE1 4.31Å; R281-F471 HydrophobicContact CG-CE2 3.96Å; R281-F471 HydrophobicContact CG-CZ 3.64Å; L307-F471 HydrophobicContact CD1-CD2 4.24Å; L307-F471 HydrophobicContact CD1-CE2 3.5Å; L307-F471 HydrophobicContact CD1-CZ 3.68Å; L307-F471 HydrophobicContact CD2-CD2 4.04Å; L307-F471 HydrophobicContact CD2-CE2 4.13Å; L307-F471 HydrophobicContact CD2-CG 4.38Å; L307-F471 HydrophobicContact CG-CD2 4.02Å; L307-F471 HydrophobicContact CG-CE2 3.75Å; L307-F471 HydrophobicContact CG-CZ 4.35Å; L308-F471 WeakPolarHBondContact O-CD2 3.49Å; L308-F471 WeakPolarHBondContact O-CE2 3.47Å; F309-F471 HydrophobicContact CD1-CB 4.15Å; F309-F471 HydrophobicContact CD1-CD2 4.45Å; F309-F471 HydrophobicContact CE1-CB 3.64Å; F309-F471 HydrophobicContact CE1-CD2 4.32Å; F309-F471 HydrophobicContact CE1-CG 4.43Å; F309-F471 HydrophobicContact CZ-CB 4.25Å; F309-F471 HydrophobicContact CZ-CD2 4.48Å; R465-F471 HydrophobicContact CB-CE1 4.33Å; R465-F471 HydrophobicContact CG-CD1 4.21Å; R465-F471 HydrophobicContact CG-CE1 3.41Å; R465-F471 VanDerWaalsContact CG-CE1 3.41Å; R465-F471 HydrophobicContact CG-CZ 3.72Å; R465-F471 WeakPolarHBondContact O-CD1 3.42Å; A468-F471 HydrophobicContact CB-CB 4.06Å; A468-F471 WeakPolarHBondContact O-CB 3.3Å; A468-F471 PolarHBondContact O-N 3.42Å; A469-F471 PolarHBondContact O-N 2.87Å
472I98.2Very high98.3Very high49 Ų4949.3 Ų49.325%0.25127%0.27SS..Hα-helixtrans-75.3-46.1-169.1-62.8167.8000112.1S466 A468 A469 T474S466-I472 WeakPolarHBondContact O-CD1 3.27Å; A468-I472 WeakPolarHBondContact O-CG1 3.42Å; A468-I472 PolarHBondContact O-N 3.45Å; A469-I472 PolarHBondContact O-N 2.92Å; I472-T474 VanDerWaalsContact C-N 3.32Å; I472-T474 PolarHBondContact O-N 3.21Å
473F97.5Very high98.3Very high167 Ų16746.2 Ų46.273%0.73225%0.254SS*.THydrogen-bonded Turntrans-98.738.6-168.1-56.7-69000112.7A469A469-F473 HydrophobicContact CB-CD2 4.01Å; A469-F473 HydrophobicContact CB-CE2 4.33Å; A469-F473 PolarHBondContact O-N 3.22Å
474T97.8Very high98.3Very high55 Ų5544 Ų4434%0.33724%0.241SC..SBendtrans-137.7150.3177.8-170.30000111.2T280 G470 I472T280-T474 WeakPolarHBondContact CA-O 3.27Å; T280-T474 WeakPolarHBondContact CB-O 3.15Å; T280-T474 WeakPolarHBondContact CG2-O 3.42Å; G470-T474 WeakPolarHBondContact O-CG2 3.2Å; I472-T474 VanDerWaalsContact C-N 3.32Å; I472-T474 PolarHBondContact O-N 3.21Å
475T98.2Very high98.3Very high93 Ų9344 Ų4457%0.57124%0.241SC*.BIsolated β-bridgetrans-65.5138.2174.4-61.30000109.4
476S98.3Very high98.3Very high15 Ų1541 Ų4111%0.10523%0.23CC..PPolyproline II helixtrans-70.7158.9-178-149.70000112.6A277 G279 R281 G285 H290A277-S476 WeakPolarHBondContact CB-O 3.3Å; G279-S476 PolarHBondContact O-N 2.75Å; R281-S476 WeakPolarHBondContact CD-OG 3.31Å; G285-S476 VanDerWaalsContact O-CB 3.23Å; G285-S476 WeakPolarHBondContact O-CB 3.26Å; G285-S476 PolarHBondContact O-OG 3.25Å; H290-S476 PolarHBondContact CD2-OG 3.41Å; H290-S476 VanDerWaalsContact CD2-OG 3.27Å; H290-S476 PolarHBondContact NE2-OG 3.1Å
477L98.4Very high98.3Very high19 Ų1939 Ų3910%0.09921%0.212CC..PPolyproline II helixtrans-61.8140.2177.6-77.1173000111.3H290 F309 L482H290-L477 PolarHBondContact CE1-O 3.44Å; H290-L477 PolarHBondContact NE2-O 3.04Å; F309-L477 WeakPolarHBondContact O-CD1 3.38Å; L477-L482 HydrophobicContact CB-CD1 4.3Å; L477-L482 HydrophobicContact CB-CD2 3.8Å; L477-L482 HydrophobicContact CB-CG 4.14Å; L477-L482 HydrophobicContact CD1-CD2 3.78Å; L477-L482 HydrophobicContact CG-CD2 4.46Å
478P98.6Very high98.4Very high32 Ų3232 Ų3221%0.20818%0.184CC..PPolyproline II helixtrans-47.9126.8172.3-36.641.3000113.9A275 M480 L481 L482A275-P478 VanDerWaalsContact O-CB 3.23Å; A275-P478 WeakPolarHBondContact O-CB 3.4Å; P478-M480 HydrophobicContact CB-CE 4.21Å; P478-M480 HydrophobicContact CB-CG 4.06Å; P478-M480 PolarHBondContact O-N 3.3Å; P478-M480 VanDerWaalsContact O-N 3.15Å; P478-L481 HydrophobicContact CB-CB 4.25Å; P478-L481 HydrophobicContact CB-CD1 3.82Å; P478-L481 HydrophobicContact CB-CG 3.85Å; P478-L481 HydrophobicContact CG-CD1 3.76Å; P478-L481 HydrophobicContact CG-CG 4.35Å; P478-L481 PolarHBondContact O-N 2.81Å; P478-L482 PolarHBondContact O-N 3.49Å
479P98.7Very high98.4Very high9 Ų932 Ų326%0.05818%0.184CC..Hα-helixtrans-52.4-38.6177.1-29.536.3000113.7T269 F289 L481 L482 A483T269-P479 HydrophobicContact CG2-CB 4.17Å; F289-P479 HydrophobicContact CD2-CB 3.8Å; F289-P479 HydrophobicContact CE2-CB 4.33Å; F289-P479 HydrophobicContact CG-CB 4.44Å; P479-L481 VanDerWaalsContact C-N 3.3Å; P479-L481 PolarHBondContact O-N 3.41Å; P479-L482 PolarHBondContact O-N 3.34Å; P479-A483 PolarHBondContact O-N 3.04Å
480M98.5Very high98.5Very high34 Ų3434.2 Ų34.217%0.16718%0.181CC..Hα-helixtrans-59.9-37.1177.265.4177178.800113.4V266 T269 L270 A275 P478 G484V266-M480 HydrophobicContact CG1-CB 4.21Å; V266-M480 HydrophobicContact CG1-CG 4.45Å; V266-M480 WeakPolarHBondContact CG2-O 3.26Å; T269-M480 HydrophobicContact CG2-CB 4.15Å; L270-M480 HydrophobicContact CB-CB 4.19Å; L270-M480 HydrophobicContact CB-SD 3.88Å; L270-M480 HydrophobicContact CD1-SD 3.67Å; L270-M480 HydrophobicContact CD2-SD 4.29Å; L270-M480 HydrophobicContact CG-SD 4.13Å; A275-M480 HydrophobicContact CB-CE 4.28Å; P478-M480 HydrophobicContact CB-CE 4.21Å; P478-M480 HydrophobicContact CB-CG 4.06Å; P478-M480 PolarHBondContact O-N 3.3Å; P478-M480 VanDerWaalsContact O-N 3.15Å; M480-G484 PolarHBondContact O-N 3.13Å
481L98.4Very high98.6Very high48 Ų4832.9 Ų32.925%0.25117%0.167SC..Hα-helixtrans-74.4-33.8179-61.8177.6000110.9V450 P478 P479 G484 A485V450-L481 HydrophobicContact CG1-CD1 3.63Å; P478-L481 HydrophobicContact CB-CB 4.25Å; P478-L481 HydrophobicContact CB-CD1 3.82Å; P478-L481 HydrophobicContact CB-CG 3.85Å; P478-L481 HydrophobicContact CG-CD1 3.76Å; P478-L481 HydrophobicContact CG-CG 4.35Å; P478-L481 PolarHBondContact O-N 2.81Å; P479-L481 VanDerWaalsContact C-N 3.3Å; P479-L481 PolarHBondContact O-N 3.41Å; L481-G484 PolarHBondContact O-N 3.33Å; L481-A485 WeakPolarHBondContact O-CB 3.44Å; L481-A485 PolarHBondContact O-N 3.19Å
482L98.8Very high98.6Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-70.1-37.3175.8-58.2-178.9000112.2F289 H290 L293 L308 L477 P478 P479 A485 L486F289-L482 HydrophobicContact CB-CB 3.86Å; F289-L482 HydrophobicContact CB-CD1 4.46Å; H290-L482 HydrophobicContact CB-CD1 4.22Å; H290-L482 WeakPolarHBondContact CD2-CD1 3.29Å; H290-L482 WeakPolarHBondContact CE1-CD1 2.88Å; H290-L482 VanDerWaalsContact CG-CD1 3.41Å; H290-L482 WeakPolarHBondContact ND1-CD1 3.42Å; H290-L482 VanDerWaalsContact NE2-CD1 3.33Å; H290-L482 WeakPolarHBondContact NE2-CD1 3.48Å; L293-L482 HydrophobicContact CD2-CB 4.32Å; L293-L482 HydrophobicContact CD2-CD2 3.81Å; L308-L482 HydrophobicContact CD1-CD1 4.41Å; L308-L482 HydrophobicContact CD1-CD2 4.03Å; L477-L482 HydrophobicContact CB-CD1 4.3Å; L477-L482 HydrophobicContact CB-CD2 3.8Å; L477-L482 HydrophobicContact CB-CG 4.14Å; L477-L482 HydrophobicContact CD1-CD2 3.78Å; L477-L482 HydrophobicContact CG-CD2 4.46Å; P478-L482 PolarHBondContact O-N 3.49Å; P479-L482 PolarHBondContact O-N 3.34Å; L482-A485 PolarHBondContact O-N 3.19Å; L482-L486 VanDerWaalsContact O-CB 3.29Å; L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 PolarHBondContact O-N 2.91Å
483A98.8Very high98.6Very high7 Ų731.2 Ų31.26%0.05816%0.158CC..Hα-helixtrans-61.7-45.7172.900000111.7T269 F289 P479 L486 E487T269-A483 HydrophobicContact CG2-CB 4.03Å; T269-A483 WeakPolarHBondContact OG1-CB 3.39Å; F289-A483 HydrophobicContact CD1-CB 3.64Å; F289-A483 HydrophobicContact CE1-CB 3.78Å; P479-A483 PolarHBondContact O-N 3.04Å; A483-L486 PolarHBondContact O-N 2.85Å; A483-E487 PolarHBondContact O-N 2.92Å; A483-E487 VanDerWaalsContact O-N 3.08Å
484G98.8Very high98.6Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-60.1-45.2173.200000112.7M480 L481 E487 S488M480-G484 PolarHBondContact O-N 3.13Å; L481-G484 PolarHBondContact O-N 3.33Å; G484-E487 PolarHBondContact O-N 3.07Å; G484-S488 WeakPolarHBondContact O-CB 2.85Å; G484-S488 PolarHBondContact O-N 2.97Å
485A98.9Very high98.7Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-63.9-41.9178.600000112.3L293 L443 C449 L481 L482 E487 S488 V489L293-A485 HydrophobicContact CD1-CB 4.47Å; L293-A485 HydrophobicContact CD2-CB 3.88Å; L443-A485 HydrophobicContact CB-CB 4.5Å; L443-A485 HydrophobicContact CD1-CB 3.93Å; L443-A485 HydrophobicContact CD2-CB 4.31Å; L443-A485 HydrophobicContact CG-CB 4.47Å; C449-A485 HydrophobicContact CB-CB 3.97Å; C449-A485 VanDerWaalsContact SG-CA 3.59Å; C449-A485 PolarHBondContact SG-N 2.81Å; C449-A485 VanDerWaalsContact SG-N 3.44Å; L481-A485 WeakPolarHBondContact O-CB 3.44Å; L481-A485 PolarHBondContact O-N 3.19Å; L482-A485 PolarHBondContact O-N 3.19Å; A485-E487 VanDerWaalsContact C-N 3.34Å; A485-E487 PolarHBondContact O-N 3.42Å; A485-S488 WeakPolarHBondContact O-CB 3.46Å; A485-S488 PolarHBondContact O-N 3.07Å; A485-V489 VanDerWaalsContact O-CG2 3.3Å; A485-V489 WeakPolarHBondContact O-CG2 3.06Å; A485-V489 PolarHBondContact O-N 2.79Å
486L98.9Very high98.7Very high10 Ų1024.4 Ų24.45%0.05213%0.132CC..Hα-helixtrans-58.4-46.5175.3177.161.6000111.4D292 L293 E296 L482 A483 S488 V489 R490D292-L486 HydrophobicContact CB-CD2 3.88Å; L293-L486 HydrophobicContact CD1-CB 4.16Å; L293-L486 HydrophobicContact CD1-CD1 4.34Å; E296-L486 HydrophobicContact CB-CD1 3.59Å; E296-L486 HydrophobicContact CG-CD1 3.71Å; L482-L486 VanDerWaalsContact O-CB 3.29Å; L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 PolarHBondContact O-N 2.91Å; A483-L486 PolarHBondContact O-N 2.85Å; L486-S488 VanDerWaalsContact C-N 3.35Å; L486-V489 PolarHBondContact O-N 3.14Å; L486-R490 WeakPolarHBondContact O-CG 3.31Å; L486-R490 PolarHBondContact O-N 2.94Å; L486-R490 VanDerWaalsContact O-N 3.08Å
487E98.9Very high98.7Very high33 Ų3323.7 Ų23.715%0.15413%0.127CC..Hα-helixtrans-64.9-41177.7-170.161.9-170.300111.7R261 A265 A483 G484 A485 R490 I491R261-E487 HydrophobicContact CB-CG 4Å; R261-E487 IonicContact CZ-OE1 3.09Å; R261-E487 IonicContact NE-OE1 3.86Å; R261-E487 PolarHBondContact NE-OE1 3.23Å; R261-E487 IonicContact NH2-OE1 2.94Å; R261-E487 PolarHBondContact NH2-OE1 3.18Å; A265-E487 HydrophobicContact CB-CB 4.1Å; A265-E487 HydrophobicContact CB-CG 4.43Å; A483-E487 PolarHBondContact O-N 2.92Å; A483-E487 VanDerWaalsContact O-N 3.08Å; G484-E487 PolarHBondContact O-N 3.07Å; A485-E487 VanDerWaalsContact C-N 3.34Å; A485-E487 PolarHBondContact O-N 3.42Å; E487-R490 PolarHBondContact O-N 3.28Å; E487-I491 HydrophobicContact CG-CD1 3.98Å; E487-I491 WeakPolarHBondContact O-CD1 3.36Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.43Å; E487-I491 PolarHBondContact O-N 2.78Å
488S98.9Very high98.7Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-61.3-46.2176.4-168.80000112.3F447 G484 A485 L486 R490 I491 L492F447-S488 VanDerWaalsContact C-OG 3.31Å; F447-S488 VanDerWaalsContact CA-OG 3.28Å; F447-S488 WeakPolarHBondContact CA-OG 3.39Å; F447-S488 VanDerWaalsContact O-CB 3.31Å; F447-S488 WeakPolarHBondContact O-CB 3.4Å; F447-S488 PolarHBondContact O-OG 3.1Å; G484-S488 WeakPolarHBondContact O-CB 2.85Å; G484-S488 PolarHBondContact O-N 2.97Å; A485-S488 WeakPolarHBondContact O-CB 3.46Å; A485-S488 PolarHBondContact O-N 3.07Å; L486-S488 VanDerWaalsContact C-N 3.35Å; S488-R490 PolarHBondContact O-N 3.38Å; S488-I491 PolarHBondContact O-N 3.28Å; S488-L492 WeakPolarHBondContact O-CG 3.31Å; S488-L492 PolarHBondContact O-N 2.74Å
489V98.9Very high98.7Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-58.7-47.2175.8171.50000110.7L293 E296 L297 L300 F447 A485 L486 I491 L492 K493L293-V489 HydrophobicContact CD1-CG2 4.29Å; E296-V489 HydrophobicContact CG-CB 4.37Å; E296-V489 HydrophobicContact CG-CG1 3.68Å; L297-V489 HydrophobicContact CD2-CG2 4.1Å; L300-V489 HydrophobicContact CD2-CG1 4.33Å; F447-V489 HydrophobicContact CD1-CB 4.45Å; F447-V489 HydrophobicContact CD1-CG2 3.75Å; F447-V489 HydrophobicContact CD2-CG2 4.38Å; F447-V489 HydrophobicContact CE1-CB 4.18Å; F447-V489 HydrophobicContact CE1-CG2 3.63Å; F447-V489 HydrophobicContact CE2-CG2 4.25Å; F447-V489 HydrophobicContact CG-CG2 4.16Å; F447-V489 HydrophobicContact CZ-CG2 3.9Å; A485-V489 VanDerWaalsContact O-CG2 3.3Å; A485-V489 WeakPolarHBondContact O-CG2 3.06Å; A485-V489 PolarHBondContact O-N 2.79Å; L486-V489 PolarHBondContact O-N 3.14Å; V489-I491 PolarHBondContact O-N 3.31Å; V489-L492 PolarHBondContact O-N 2.96Å; V489-K493 HydrophobicContact CG1-CD 3.82Å; V489-K493 HydrophobicContact CG1-CG 4.46Å; V489-K493 VanDerWaalsContact O-CG 3.3Å; V489-K493 WeakPolarHBondContact O-CG 3.28Å; V489-K493 PolarHBondContact O-N 3.02Å
490R98.9Very high98.7Very high103 Ų10329.2 Ų29.239%0.38915%0.149SC..Hα-helixtrans-61.3-42.5178.9-73.7171.6174.8170.6-0.7112.8E296 L486 E487 S488 K493 S494E296-R490 HydrophobicContact CG-CG 4.34Å; E296-R490 IonicContact OE2-CZ 2.94Å; E296-R490 IonicContact OE2-NE 2.65Å; E296-R490 PolarHBondContact OE2-NE 2.96Å; E296-R490 IonicContact OE2-NH2 2.64Å; E296-R490 PolarHBondContact OE2-NH2 3.15Å; L486-R490 WeakPolarHBondContact O-CG 3.31Å; L486-R490 PolarHBondContact O-N 2.94Å; L486-R490 VanDerWaalsContact O-N 3.08Å; E487-R490 PolarHBondContact O-N 3.28Å; S488-R490 PolarHBondContact O-N 3.38Å; R490-K493 PolarHBondContact O-N 3.01Å; R490-S494 PolarHBondContact O-N 2.8Å
491I98.9Very high98.6Very high1 Ų128.3 Ų28.31%0.00514%0.144CC..Hα-helixtrans-63.1-46.8176.5-69.3160.7000110.4M256 R261 V262 E487 S488 V489 K493 S494 E496 G497M256-I491 HydrophobicContact CE-CB 4.04Å; M256-I491 HydrophobicContact CE-CD1 4.05Å; M256-I491 HydrophobicContact CE-CG2 3.83Å; R261-I491 HydrophobicContact CB-CD1 3.88Å; V262-I491 HydrophobicContact CG2-CD1 4.19Å; E487-I491 HydrophobicContact CG-CD1 3.98Å; E487-I491 WeakPolarHBondContact O-CD1 3.36Å; E487-I491 VanDerWaalsContact O-CG1 3.27Å; E487-I491 WeakPolarHBondContact O-CG1 3.43Å; E487-I491 PolarHBondContact O-N 2.78Å; S488-I491 PolarHBondContact O-N 3.28Å; V489-I491 PolarHBondContact O-N 3.31Å; I491-K493 VanDerWaalsContact C-N 3.27Å; I491-K493 PolarHBondContact O-N 3.48Å; I491-S494 WeakPolarHBondContact O-CB 3.36Å; I491-S494 PolarHBondContact O-N 3.45Å; I491-S494 PolarHBondContact O-OG 2.84Å; I491-E496 HydrophobicContact CG2-CB 4.3Å; I491-E496 HydrophobicContact CG2-CG 4.08Å; I491-G497 PolarHBondContact O-N 2.87Å
492L98.8Very high98.6Very high1 Ų133.3 Ų33.31%0.00516%0.16CC..Hα-helixtrans-69.6-23.1-178.4-65.5-168.1000113.6L254 M256 A446 F447 S488 V489 S494 L500 R501L254-L492 HydrophobicContact CD1-CD1 3.79Å; L254-L492 HydrophobicContact CD1-CD2 3.54Å; L254-L492 HydrophobicContact CD1-CG 4.35Å; M256-L492 HydrophobicContact CE-CD2 4.38Å; M256-L492 HydrophobicContact CE-CG 4.5Å; M256-L492 HydrophobicContact CG-CD1 4.2Å; M256-L492 HydrophobicContact CG-CD2 4.1Å; M256-L492 HydrophobicContact CG-CG 4.34Å; M256-L492 HydrophobicContact SD-CD2 3.9Å; M256-L492 HydrophobicContact SD-CG 4.49Å; A446-L492 HydrophobicContact CB-CD1 4.45Å; F447-L492 HydrophobicContact CD1-CD1 3.6Å; F447-L492 HydrophobicContact CD1-CG 4.37Å; F447-L492 HydrophobicContact CE1-CB 4.22Å; F447-L492 HydrophobicContact CE1-CD1 3.79Å; F447-L492 HydrophobicContact CE1-CG 4.46Å; S488-L492 WeakPolarHBondContact O-CG 3.31Å; S488-L492 PolarHBondContact O-N 2.74Å; V489-L492 PolarHBondContact O-N 2.96Å; L492-S494 VanDerWaalsContact C-N 3.33Å; L492-L500 HydrophobicContact CD2-CD1 4.05Å; L492-R501 PolarHBondContact O-NH1 2.73Å; L492-R501 PolarHBondContact O-NH2 3.13Å
493K98.6Very high98.5Very high29 Ų2936.8 Ų36.813%0.12618%0.176CC..Hα-helixtrans-72.2-24.8168.5-72.4169.567.7176.90113.8E296 D299 L300 R422 V489 R490 I491E296-K493 IonicContact OE1-NZ 3.65Å; E296-K493 PolarHBondContact OE1-NZ 3.05Å; D299-K493 IonicContact OD2-NZ 2.81Å; D299-K493 PolarHBondContact OD2-NZ 3.12Å; L300-K493 HydrophobicContact CB-CD 4.48Å; L300-K493 HydrophobicContact CD1-CD 3.98Å; L300-K493 HydrophobicContact CD1-CG 3.7Å; R422-K493 HydrophobicContact CB-CG 4.43Å; R422-K493 VanDerWaalsContact O-CA 3.27Å; R422-K493 WeakPolarHBondContact O-CA 3.41Å; R422-K493 WeakPolarHBondContact O-CG 3.24Å; V489-K493 HydrophobicContact CG1-CD 3.82Å; V489-K493 HydrophobicContact CG1-CG 4.46Å; V489-K493 VanDerWaalsContact O-CG 3.3Å; V489-K493 WeakPolarHBondContact O-CG 3.28Å; V489-K493 PolarHBondContact O-N 3.02Å; R490-K493 PolarHBondContact O-N 3.01Å; I491-K493 VanDerWaalsContact C-N 3.27Å; I491-K493 PolarHBondContact O-N 3.48Å
494S98.6Very high98.4Very high42 Ų4236.5 Ų36.529%0.29417%0.173SC..SBendtrans-80.6-177.1-173.383.80000113.6R490 I491 L492 E496 G497 R498R490-S494 PolarHBondContact O-N 2.8Å; I491-S494 WeakPolarHBondContact O-CB 3.36Å; I491-S494 PolarHBondContact O-N 3.45Å; I491-S494 PolarHBondContact O-OG 2.84Å; L492-S494 VanDerWaalsContact C-N 3.33Å; S494-E496 PolarHBondContact O-N 3.33Å; S494-E496 WeakPolarHBondContact OG-CB 3.43Å; S494-E496 PolarHBondContact OG-N 3.16Å; S494-G497 PolarHBondContact O-N 2.88Å; S494-R498 PolarHBondContact O-N 2.76Å; S494-R498 PolarHBondContact O-NH1 2.9Å
495A98.3Very high98.3Very high56 Ų5638.9 Ų38.946%0.46318%0.184SC..Hα-helixtrans-59.7-33.9172.300000112.8R498 V499A495-R498 WeakPolarHBondContact O-CB 3.5Å; A495-R498 PolarHBondContact O-N 2.79Å; A495-V499 WeakPolarHBondContact O-CG2 3.31Å; A495-V499 PolarHBondContact O-N 2.78Å
496E98.5Very high98Very high74 Ų7441.5 Ų41.535%0.34619%0.194SC..Hα-helixtrans-62.1-47.1176.9-177173.3-174.400111H259 I491 S494 R498 V499 L500H259-E496 IonicContact CD2-OE1 2.84Å; H259-E496 IonicContact NE2-OE1 3.84Å; H259-E496 PolarHBondContact NE2-OE1 3.27Å; H259-E496 VanDerWaalsContact NE2-OE1 3.1Å; I491-E496 HydrophobicContact CG2-CB 4.3Å; I491-E496 HydrophobicContact CG2-CG 4.08Å; S494-E496 PolarHBondContact O-N 3.33Å; S494-E496 WeakPolarHBondContact OG-CB 3.43Å; S494-E496 PolarHBondContact OG-N 3.16Å; E496-R498 VanDerWaalsContact C-N 3.28Å; E496-R498 PolarHBondContact O-N 3Å; E496-V499 WeakPolarHBondContact O-CB 3.4Å; E496-V499 PolarHBondContact O-N 2.87Å; E496-L500 HydrophobicContact CG-CD1 4.34Å; E496-L500 PolarHBondContact O-N 3.15Å
497G98.6Very high97.9Very high0 Ų041.3 Ų41.30%019%0.193CC..Hα-helixtrans-55.3-41.4173.100000113.2I491 S494 V499 L500 R501I491-G497 PolarHBondContact O-N 2.87Å; S494-G497 PolarHBondContact O-N 2.88Å; G497-V499 VanDerWaalsContact C-N 3.34Å; G497-V499 PolarHBondContact O-N 3.11Å; G497-L500 PolarHBondContact O-N 3.12Å; G497-R501 WeakPolarHBondContact O-CB 3.33Å; G497-R501 WeakPolarHBondContact O-CG 3.49Å; G497-R501 PolarHBondContact O-N 3.33Å; G497-R501 PolarHBondContact O-NH1 2.87Å
498R98.3Very high97.7Very high100 Ų10039.8 Ų39.838%0.37719%0.186SC..Hα-helixtrans-63.7-37.9175.7-67.1-170.2-68.4-85.58.2112.5A421 S494 A495 E496 R502A421-R498 VanDerWaalsContact O-CG 3.31Å; A421-R498 WeakPolarHBondContact O-CG 3.47Å; S494-R498 PolarHBondContact O-N 2.76Å; S494-R498 PolarHBondContact O-NH1 2.9Å; A495-R498 WeakPolarHBondContact O-CB 3.5Å; A495-R498 PolarHBondContact O-N 2.79Å; E496-R498 VanDerWaalsContact C-N 3.28Å; E496-R498 PolarHBondContact O-N 3Å; R498-R502 WeakPolarHBondContact O-CG 3.32Å; R498-R502 PolarHBondContact O-N 3.4Å; R498-R502 VanDerWaalsContact O-N 3.15Å
499V98.2Very high97.4Very high59 Ų5940.8 Ų40.836%0.35819%0.19SC..Hα-helixtrans-65.9-48.4175.11740000110.4A495 E496 G497 R501 R502 Q503A495-V499 WeakPolarHBondContact O-CG2 3.31Å; A495-V499 PolarHBondContact O-N 2.78Å; E496-V499 WeakPolarHBondContact O-CB 3.4Å; E496-V499 PolarHBondContact O-N 2.87Å; G497-V499 VanDerWaalsContact C-N 3.34Å; G497-V499 PolarHBondContact O-N 3.11Å; V499-R501 PolarHBondContact O-N 3.12Å; V499-R502 PolarHBondContact O-N 3.22Å; V499-Q503 HydrophobicContact CG1-CG 4.42Å; V499-Q503 WeakPolarHBondContact O-CG 3.39Å; V499-Q503 PolarHBondContact O-N 3.26Å
500L98.4Very high97Very high17 Ų1741 Ų419%0.08919%0.191CC..Hα-helixtrans-58.7-45178.3-72.4172000111.7L254 M256 L492 E496 G497 R502 Q503 H504 P576L254-L500 HydrophobicContact CD2-CB 4.37Å; M256-L500 HydrophobicContact SD-CD1 4.09Å; L492-L500 HydrophobicContact CD2-CD1 4.05Å; E496-L500 HydrophobicContact CG-CD1 4.34Å; E496-L500 PolarHBondContact O-N 3.15Å; G497-L500 PolarHBondContact O-N 3.12Å; L500-R502 PolarHBondContact O-N 2.98Å; L500-Q503 PolarHBondContact O-N 2.92Å; L500-H504 VanDerWaalsContact O-CB 3.26Å; L500-H504 WeakPolarHBondContact O-CB 3.41Å; L500-H504 PolarHBondContact O-N 3.29Å; L500-P576 HydrophobicContact CD2-CB 4.47Å; L500-P576 HydrophobicContact CD2-CG 4.41Å
501R98.3Very high96.9Very high14 Ų1436.1 Ų36.15%0.05317%0.173CC..Hα-helixtrans-58.8-46.6175.2-77.3-169.9-74.4-71.82.1112.1G417 L418 G420 A421 L492 G497 V499 H504 Q505G417-R501 WeakPolarHBondContact O-CD 3.25Å; G417-R501 WeakPolarHBondContact O-CG 3.49Å; G417-R501 PolarHBondContact O-NH1 3.34Å; G417-R501 VanDerWaalsContact O-NH1 3.11Å; L418-R501 WeakPolarHBondContact O-CD 3.44Å; L418-R501 WeakPolarHBondContact O-CG 3.48Å; G420-R501 PolarHBondContact O-NE 3.35Å; A421-R501 PolarHBondContact O-NH2 3.26Å; L492-R501 PolarHBondContact O-NH1 2.73Å; L492-R501 PolarHBondContact O-NH2 3.13Å; G497-R501 WeakPolarHBondContact O-CB 3.33Å; G497-R501 WeakPolarHBondContact O-CG 3.49Å; G497-R501 PolarHBondContact O-N 3.33Å; G497-R501 PolarHBondContact O-NH1 2.87Å; V499-R501 PolarHBondContact O-N 3.12Å; R501-H504 WeakPolarHBondContact O-CB 3.35Å; R501-H504 PolarHBondContact O-N 3.18Å; R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.3Å; R501-Q505 PolarHBondContact O-N 3.04Å
502R96.6Very high96.6Very high154 Ų15436.3 Ų36.358%0.58117%0.174SC*.Hα-helixtrans-62.4-44.8177.5-74.8-170-61.1-91.81112.3R498 V499 L500 H504 R506R498-R502 WeakPolarHBondContact O-CG 3.32Å; R498-R502 PolarHBondContact O-N 3.4Å; R498-R502 VanDerWaalsContact O-N 3.15Å; V499-R502 PolarHBondContact O-N 3.22Å; L500-R502 PolarHBondContact O-N 2.98Å; R502-H504 VanDerWaalsContact C-N 3.34Å; R502-R506 VanDerWaalsContact O-CB 3.23Å; R502-R506 WeakPolarHBondContact O-CB 3.15Å; R502-R506 PolarHBondContact O-N 3.21Å
503Q96.8Very high96.2Very high73 Ų7339.5 Ų39.534%0.34119%0.188SC..Hα-helixtrans-62.7-42.3177.2-72174-14.600111.6V499 L500 R506 N507 P576V499-Q503 HydrophobicContact CG1-CG 4.42Å; V499-Q503 WeakPolarHBondContact O-CG 3.39Å; V499-Q503 PolarHBondContact O-N 3.26Å; L500-Q503 PolarHBondContact O-N 2.92Å; Q503-R506 PolarHBondContact O-N 3.01Å; Q503-N507 PolarHBondContact O-N 3Å; Q503-N507 PolarHBondContact O-OD1 3.11Å; Q503-P576 HydrophobicContact CB-CB 3.98Å; Q503-P576 HydrophobicContact CB-CG 4.44Å
504H98.3Very high95.9Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-58.8-56.4176.1177.4-126.9000111.6L254 L500 R501 R502 R506 N507 V508 H528 P574 P576L254-H504 HydrophobicContact CD2-CB 3.84Å; L500-H504 VanDerWaalsContact O-CB 3.26Å; L500-H504 WeakPolarHBondContact O-CB 3.41Å; L500-H504 PolarHBondContact O-N 3.29Å; R501-H504 WeakPolarHBondContact O-CB 3.35Å; R501-H504 PolarHBondContact O-N 3.18Å; R502-H504 VanDerWaalsContact C-N 3.34Å; H504-R506 PolarHBondContact O-N 3.35Å; H504-N507 PolarHBondContact O-N 3.39Å; H504-N507 VanDerWaalsContact O-N 3.08Å; H504-V508 VanDerWaalsContact O-CG2 3.31Å; H504-V508 WeakPolarHBondContact O-CG2 3.36Å; H504-V508 PolarHBondContact O-N 2.93Å; H504-H528 WeakPolarHBondContact CE1-CB 3.23Å; H504-H528 AromaticContact CE1-CD2 3.72Å; H504-H528 AromaticContact CE1-CG 3.47Å; H504-H528 VanDerWaalsContact CE1-CG 3.47Å; H504-H528 AromaticContact NE2-CD2 3.97Å; H504-P574 PolarHBondContact CD2-O 3.41Å; H504-P574 VanDerWaalsContact CD2-O 3.32Å; H504-P574 PolarHBondContact NE2-O 3.06Å; H504-P576 HydrophobicContact CB-CG 3.78Å
505Q95.5Very high95.6Very high50 Ų5036.7 Ų36.723%0.23417%0.171CC..Hα-helixtrans-60.2-36.4-179.1-64.4-58.9-22.700111.7R501 V508 K509R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.3Å; R501-Q505 PolarHBondContact O-N 3.04Å; Q505-V508 PolarHBondContact O-N 3.4Å; Q505-K509 WeakPolarHBondContact O-CB 3.48Å; Q505-K509 PolarHBondContact O-N 3.26Å
506R93.4Very high95.3Very high56 Ų5635.2 Ų35.221%0.21116%0.155CC..Hα-helixtrans-63.2-45.4174.6-177.6178.871.21635.7112.3R502 Q503 H504 K509 L510 Y628 F629R502-R506 VanDerWaalsContact O-CB 3.23Å; R502-R506 WeakPolarHBondContact O-CB 3.15Å; R502-R506 PolarHBondContact O-N 3.21Å; Q503-R506 PolarHBondContact O-N 3.01Å; H504-R506 PolarHBondContact O-N 3.35Å; R506-K509 PolarHBondContact O-N 3.15Å; R506-L510 PolarHBondContact O-N 3.46Å; R506-Y628 VanDerWaalsContact NH1-CD1 3.31Å; R506-Y628 VanDerWaalsContact NH1-CG 3.32Å; R506-Y628 PolarHBondContact NH2-OH 2.82Å; R506-F629 HydrophobicContact CG-CE1 4.07Å; R506-F629 HydrophobicContact CG-CE2 3.97Å; R506-F629 HydrophobicContact CG-CZ 3.25Å
507N95.9Very high94.8Very high6 Ų635.1 Ų35.13%0.03216%0.157CC..Hα-helixtrans-68.3-38.8178.2-74.16.1000112Q503 H504 L510 M511 T575 P576 H578 M583Q503-N507 PolarHBondContact O-N 3Å; Q503-N507 PolarHBondContact O-OD1 3.11Å; H504-N507 PolarHBondContact O-N 3.39Å; H504-N507 VanDerWaalsContact O-N 3.08Å; N507-L510 PolarHBondContact O-N 2.91Å; N507-M511 VanDerWaalsContact O-CB 3.31Å; N507-M511 WeakPolarHBondContact O-CB 3.46Å; N507-M511 PolarHBondContact O-N 3.02Å; N507-T575 PolarHBondContact ND2-O 2.92Å; N507-P576 WeakPolarHBondContact ND2-CA 3.24Å; N507-P576 PolarHBondContact ND2-O 3.45Å; N507-H578 PolarHBondContact ND2-O 3.16Å; N507-H578 VanDerWaalsContact ND2-O 3.1Å; N507-M583 HydrophobicContact CB-CE 3.75Å
508V96Very high94.5Very high0 Ų036.3 Ų36.30%017%0.167CC..Hα-helixtrans-57.3-50.6172.11690000110.2H504 Q505 L510 M511 R512 H528 I530 P574H504-V508 VanDerWaalsContact O-CG2 3.31Å; H504-V508 WeakPolarHBondContact O-CG2 3.36Å; H504-V508 PolarHBondContact O-N 2.93Å; Q505-V508 PolarHBondContact O-N 3.4Å; V508-L510 PolarHBondContact O-N 3.24Å; V508-M511 PolarHBondContact O-N 3.19Å; V508-R512 VanDerWaalsContact O-CB 3.27Å; V508-R512 WeakPolarHBondContact O-CB 3.14Å; V508-R512 PolarHBondContact O-N 3.15Å; V508-H528 HydrophobicContact CG2-CB 3.71Å; V508-I530 HydrophobicContact CG1-CD1 4.29Å; V508-I530 HydrophobicContact CG1-CG1 4.35Å; V508-P574 HydrophobicContact CB-CG 4.39Å; V508-P574 HydrophobicContact CG2-CG 3.86Å
509K91.6Very high94.2Very high22 Ų2231.9 Ų31.910%0.09615%0.153CC..Hα-helixtrans-59.4-46.5-179-171.6-179.5-174.3175.30111.4Q505 R506 Q513 F618 V620 M621 E625Q505-K509 WeakPolarHBondContact O-CB 3.48Å; Q505-K509 PolarHBondContact O-N 3.26Å; R506-K509 PolarHBondContact O-N 3.15Å; K509-Q513 WeakPolarHBondContact O-CB 3.3Å; K509-Q513 PolarHBondContact O-N 2.99Å; K509-F618 WeakPolarHBondContact CE-O 3.39Å; K509-F618 HydrophobicContact CG-CD1 4.33Å; K509-V620 PolarHBondContact NZ-O 3.24Å; K509-M621 HydrophobicContact CD-CE 4.15Å; K509-M621 HydrophobicContact CD-CG 4.1Å; K509-M621 VanDerWaalsContact CE-CG 3.44Å; K509-M621 HydrophobicContact CG-CE 3.95Å; K509-E625 IonicContact NZ-OE2 3.45Å; K509-E625 PolarHBondContact NZ-OE2 3.4Å
510L91.7Very high94Very high4 Ų429.1 Ų29.12%0.02114%0.136CC..Hα-helixtrans-59.3-53.2175.7176.463.7000111.4R506 N507 V508 R512 Q513 M514 P580 M583 F629R506-L510 PolarHBondContact O-N 3.46Å; N507-L510 PolarHBondContact O-N 2.91Å; V508-L510 PolarHBondContact O-N 3.24Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 2.9Å; L510-Q513 PolarHBondContact O-N 3.34Å; L510-M514 HydrophobicContact CD1-CG 4.05Å; L510-M514 HydrophobicContact CD1-SD 3.82Å; L510-M514 HydrophobicContact CD2-SD 4.21Å; L510-M514 HydrophobicContact CG-CG 4.36Å; L510-M514 HydrophobicContact CG-SD 3.68Å; L510-M514 WeakPolarHBondContact O-CB 3.27Å; L510-M514 VanDerWaalsContact O-CG 3.27Å; L510-M514 WeakPolarHBondContact O-CG 3.31Å; L510-M514 PolarHBondContact O-N 2.66Å; L510-P580 HydrophobicContact CD2-CB 4.31Å; L510-P580 HydrophobicContact CD2-CG 4.33Å; L510-M583 HydrophobicContact CB-SD 4.47Å; L510-M583 HydrophobicContact CD2-CE 4.25Å; L510-M583 HydrophobicContact CD2-SD 3.74Å; L510-M583 HydrophobicContact CG-SD 4.11Å; L510-F629 HydrophobicContact CB-CD1 4.33Å; L510-F629 HydrophobicContact CB-CE1 3.69Å; L510-F629 HydrophobicContact CB-CZ 3.82Å; L510-F629 HydrophobicContact CD1-CD1 3.79Å; L510-F629 HydrophobicContact CD1-CE1 4.04Å; L510-F629 HydrophobicContact CD1-CG 4.17Å; L510-F629 HydrophobicContact CD2-CD1 3.74Å; L510-F629 HydrophobicContact CD2-CE1 3.54Å; L510-F629 HydrophobicContact CG-CD1 4.15Å; L510-F629 HydrophobicContact CG-CE1 3.93Å
511M95.2Very high93.7Very high0 Ų029.9 Ų29.90%014%0.142CC..Hα-helixtrans-60.7-43.4-177.2-172.464.6-170.300111.9W248 N507 V508 M514 L515 I530 P574 M583 F586W248-M511 HydrophobicContact CZ3-CE 4.31Å; W248-M511 HydrophobicContact CZ3-SD 4.26Å; N507-M511 VanDerWaalsContact O-CB 3.31Å; N507-M511 WeakPolarHBondContact O-CB 3.46Å; N507-M511 PolarHBondContact O-N 3.02Å; V508-M511 PolarHBondContact O-N 3.19Å; M511-M514 PolarHBondContact O-N 3.44Å; M511-L515 HydrophobicContact CE-CD1 3.95Å; M511-L515 HydrophobicContact CE-CD2 3.96Å; M511-L515 HydrophobicContact CE-CG 3.97Å; M511-L515 HydrophobicContact CG-CD1 4.04Å; M511-L515 WeakPolarHBondContact O-CD1 3.12Å; M511-L515 VanDerWaalsContact O-CG 3.23Å; M511-L515 WeakPolarHBondContact O-CG 3.27Å; M511-L515 PolarHBondContact O-N 3.41Å; M511-I530 HydrophobicContact CB-CD1 3.89Å; M511-I530 HydrophobicContact CG-CD1 3.94Å; M511-P574 HydrophobicContact CB-CB 4.45Å; M511-P574 HydrophobicContact CB-CG 4.21Å; M511-P574 HydrophobicContact CG-CG 4.41Å; M511-M583 HydrophobicContact CB-SD 4.09Å; M511-M583 HydrophobicContact SD-CB 3.74Å; M511-M583 HydrophobicContact SD-CG 3.76Å; M511-M583 HydrophobicContact SD-SD 4.2Å; M511-F586 HydrophobicContact CE-CB 4.44Å; M511-F586 HydrophobicContact CE-CD1 3.16Å; M511-F586 HydrophobicContact CE-CE1 3.51Å; M511-F586 HydrophobicContact CE-CG 3.97Å
512R93.3Very high93.4Very high5 Ų529.4 Ų29.42%0.01914%0.141CC..Hα-helixtrans-60.1-48.7177.5-174.6-176.6-65.2-88.21.9110.7V508 L510 L515 M516 V522 V523 C525 S527 I529 I530V508-R512 VanDerWaalsContact O-CB 3.27Å; V508-R512 WeakPolarHBondContact O-CB 3.14Å; V508-R512 PolarHBondContact O-N 3.15Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 2.9Å; R512-L515 PolarHBondContact O-N 3.46Å; R512-M516 HydrophobicContact CG-SD 3.86Å; R512-M516 VanDerWaalsContact O-CG 3.31Å; R512-M516 WeakPolarHBondContact O-CG 3.35Å; R512-M516 PolarHBondContact O-N 3.13Å; R512-V522 HydrophobicContact CG-CG1 4.28Å; R512-V523 PolarHBondContact NH1-O 2.61Å; R512-V523 VanDerWaalsContact NH1-O 3.13Å; R512-C525 PolarHBondContact NH1-O 3.43Å; R512-C525 VanDerWaalsContact NH1-O 3.13Å; R512-C525 PolarHBondContact NH1-SG 3.43Å; R512-C525 PolarHBondContact NH2-O 3.37Å; R512-C525 PolarHBondContact NH2-SG 3.26Å; R512-S527 PolarHBondContact NH2-O 3.19Å; R512-I529 PolarHBondContact NH2-O 2.95Å; R512-I530 HydrophobicContact CB-CD1 3.99Å; R512-I530 HydrophobicContact CB-CG1 4.42Å
513Q89.6Confident93.1Very high68 Ų6822.4 Ų22.432%0.31812%0.115SC..Hα-helixtrans-61-46.9178.8-169.564.349.700111.4K509 L510 L515 M516 D517K509-Q513 WeakPolarHBondContact O-CB 3.3Å; K509-Q513 PolarHBondContact O-N 2.99Å; L510-Q513 PolarHBondContact O-N 3.34Å; Q513-L515 VanDerWaalsContact C-N 3.33Å; Q513-L515 PolarHBondContact O-N 2.8Å; Q513-M516 PolarHBondContact O-N 2.76Å; Q513-D517 PolarHBondContact NE2-OD1 3.44Å; Q513-D517 WeakPolarHBondContact O-CB 3.01Å; Q513-D517 PolarHBondContact O-N 2.99Å
514M92.3Very high92.4Very high12 Ų1219.2 Ų19.26%0.05910%0.1CC..Hα-helixtrans-58-42.2178.1-74.5174.159.900113.1L510 M511 A518 M583 N584 L587L510-M514 HydrophobicContact CD1-CG 4.05Å; L510-M514 HydrophobicContact CD1-SD 3.82Å; L510-M514 HydrophobicContact CD2-SD 4.21Å; L510-M514 HydrophobicContact CG-CG 4.36Å; L510-M514 HydrophobicContact CG-SD 3.68Å; L510-M514 WeakPolarHBondContact O-CB 3.27Å; L510-M514 VanDerWaalsContact O-CG 3.27Å; L510-M514 WeakPolarHBondContact O-CG 3.31Å; L510-M514 PolarHBondContact O-N 2.66Å; M511-M514 PolarHBondContact O-N 3.44Å; M514-A518 WeakPolarHBondContact O-CB 3.47Å; M514-A518 PolarHBondContact O-N 2.86Å; M514-M583 HydrophobicContact CE-CB 4.01Å; M514-M583 HydrophobicContact SD-CB 4.19Å; M514-N584 WeakPolarHBondContact CE-OD1 3.32Å; M514-L587 HydrophobicContact CB-CD2 4.17Å; M514-L587 HydrophobicContact CE-CB 4.4Å; M514-L587 HydrophobicContact CE-CD2 4Å
515L94.1Very high91.6Very high0 Ų019.2 Ų19.20%010%0.1CC..Hα-helixtrans-67.6-41.1177.1-68.5163.6000111.7M511 R512 Q513 A518 L520 V522 I530 V532 I572 F586 L587 L590M511-L515 HydrophobicContact CE-CD1 3.95Å; M511-L515 HydrophobicContact CE-CD2 3.96Å; M511-L515 HydrophobicContact CE-CG 3.97Å; M511-L515 HydrophobicContact CG-CD1 4.04Å; M511-L515 WeakPolarHBondContact O-CD1 3.12Å; M511-L515 VanDerWaalsContact O-CG 3.23Å; M511-L515 WeakPolarHBondContact O-CG 3.27Å; M511-L515 PolarHBondContact O-N 3.41Å; R512-L515 PolarHBondContact O-N 3.46Å; Q513-L515 VanDerWaalsContact C-N 3.33Å; Q513-L515 PolarHBondContact O-N 2.8Å; L515-A518 PolarHBondContact O-N 3.16Å; L515-L520 HydrophobicContact CB-CD1 4.39Å; L515-L520 HydrophobicContact CD2-CD1 3.43Å; L515-L520 VanDerWaalsContact CD2-CD1 3.43Å; L515-L520 WeakPolarHBondContact O-CB 2.95Å; L515-L520 PolarHBondContact O-N 3Å; L515-L520 VanDerWaalsContact O-N 3.15Å; L515-V522 HydrophobicContact CB-CG2 3.51Å; L515-V522 HydrophobicContact CD1-CG2 4.42Å; L515-I530 HydrophobicContact CD1-CG2 3.75Å; L515-V532 HydrophobicContact CD1-CG2 4.45Å; L515-I572 HydrophobicContact CD1-CD1 3.73Å; L515-I572 HydrophobicContact CD2-CD1 4.28Å; L515-F586 HydrophobicContact CD2-CE1 4.36Å; L515-L587 HydrophobicContact CD2-CD1 3.83Å; L515-L590 HydrophobicContact CD2-CD2 3.86Å
516M90.7Very high91.2Very high26 Ų2618.3 Ų18.313%0.12810%0.098CC..Hα-helixtrans-67.6-44.8178-71.8173.263.900112R512 Q513 A518 G519 V522 H604R512-M516 HydrophobicContact CG-SD 3.86Å; R512-M516 VanDerWaalsContact O-CG 3.31Å; R512-M516 WeakPolarHBondContact O-CG 3.35Å; R512-M516 PolarHBondContact O-N 3.13Å; Q513-M516 PolarHBondContact O-N 2.76Å; M516-A518 PolarHBondContact O-N 3.32Å; M516-G519 PolarHBondContact O-N 3.23Å; M516-V522 HydrophobicContact CG-CB 3.88Å; M516-V522 HydrophobicContact CG-CG1 4.26Å; M516-V522 HydrophobicContact CG-CG2 3.98Å; M516-H604 HydrophobicContact CE-CB 4.15Å
517D88.7Confident91.2Very high71 Ų7115.6 Ų15.638%0.389%0.088SC..Hα-helixtrans-60.7-31177.3-70.3-13.6000111.8Q513 G519Q513-D517 PolarHBondContact NE2-OD1 3.44Å; Q513-D517 WeakPolarHBondContact O-CB 3.01Å; Q513-D517 PolarHBondContact O-N 2.99Å; D517-G519 PolarHBondContact O-N 2.95Å
518A91.2Very high91.3Very high25 Ų2515.3 Ų15.321%0.2079%0.087CC..THydrogen-bonded Turntrans-79.3-2.3175.100000114.2M514 L515 M516 L587 L591M514-A518 WeakPolarHBondContact O-CB 3.47Å; M514-A518 PolarHBondContact O-N 2.86Å; L515-A518 PolarHBondContact O-N 3.16Å; M516-A518 PolarHBondContact O-N 3.32Å; A518-L587 HydrophobicContact CB-CD1 3.85Å; A518-L587 HydrophobicContact CB-CD2 4.39Å; A518-L591 HydrophobicContact CB-CD1 3.91Å; A518-L591 HydrophobicContact CB-CD2 3.98Å; A518-L591 HydrophobicContact CB-CG 4.44Å
519G92.3Very high91.3Very high8 Ų815.3 Ų15.38%0.0829%0.087CC..THydrogen-bonded Turntrans76.119.1179.400000114.8M516 D517 L601 K602M516-G519 PolarHBondContact O-N 3.23Å; D517-G519 PolarHBondContact O-N 2.95Å; G519-L601 CarbonylContact O-C 3.54Å; G519-L601 VanDerWaalsContact O-CA 3.32Å; G519-L601 WeakPolarHBondContact O-CA 3.48Å; G519-L601 WeakPolarHBondContact O-CB 3.36Å; G519-K602 CarbonylContact C-O 3.58Å; G519-K602 CarbonylContact O-C 3.44Å; G519-K602 PolarHBondContact O-N 3.18Å; G519-K602 VanDerWaalsContact O-O 3.12Å
520L93.9Very high91.5Very high0 Ų014.3 Ų14.30%08%0.082CC..  trans-75141.2172.9-75.6160.5000110L515 V522 V532 L587 L590 L591 W594 L601 H604L515-L520 HydrophobicContact CB-CD1 4.39Å; L515-L520 HydrophobicContact CD2-CD1 3.43Å; L515-L520 VanDerWaalsContact CD2-CD1 3.43Å; L515-L520 WeakPolarHBondContact O-CB 2.95Å; L515-L520 PolarHBondContact O-N 3Å; L515-L520 VanDerWaalsContact O-N 3.15Å; L520-V522 HydrophobicContact CB-CG2 4.49Å; L520-V522 PolarHBondContact O-N 3.46Å; L520-V532 HydrophobicContact CB-CG1 4.29Å; L520-L587 HydrophobicContact CD1-CD1 3.9Å; L520-L590 HydrophobicContact CD1-CD2 3.62Å; L520-L590 HydrophobicContact CD1-CG 4.14Å; L520-L590 HydrophobicContact CD2-CD2 4.47Å; L520-L590 HydrophobicContact CD2-CG 4.47Å; L520-L591 HydrophobicContact CD1-CD2 3.99Å; L520-L591 HydrophobicContact CD2-CD2 4.21Å; L520-L591 HydrophobicContact CG-CD2 3.89Å; L520-W594 HydrophobicContact CD2-CB 4.48Å; L520-W594 HydrophobicContact CD2-CD2 3.59Å; L520-W594 HydrophobicContact CD2-CE3 3.84Å; L520-W594 HydrophobicContact CD2-CG 3.89Å; L520-W594 HydrophobicContact CD2-CZ2 4.41Å; L520-W594 HydrophobicContact CD2-CZ3 4.33Å; L520-L601 HydrophobicContact CD2-CD2 3.79Å; L520-L601 HydrophobicContact CG-CD2 4.03Å; L520-H604 PolarHBondContact O-CE1 3.27Å
521P92.9Very high91.7Very high33 Ų3314.1 Ų14.121%0.2148%0.081CC..  trans-71.764.3-176.832.5-38.8000113.4V532 R533 W594P521-V532 HydrophobicContact CG-CG1 4.15Å; P521-R533 WeakPolarHBondContact CG-O 3.4Å; P521-R533 PolarHBondContact O-N 2.84Å; P521-W594 HydrophobicContact CG-CH2 3.86Å; P521-W594 HydrophobicContact CG-CZ2 3.52Å
522V92.3Very high91.8Very high5 Ų514.1 Ų14.13%0.038%0.081CC..BIsolated β-bridgetrans-67.7131.4176-179.10000110R512 L515 M516 L520 H524 I530 P531 V532 H604R512-V522 HydrophobicContact CG-CG1 4.28Å; L515-V522 HydrophobicContact CB-CG2 3.51Å; L515-V522 HydrophobicContact CD1-CG2 4.42Å; M516-V522 HydrophobicContact CG-CB 3.88Å; M516-V522 HydrophobicContact CG-CG1 4.26Å; M516-V522 HydrophobicContact CG-CG2 3.98Å; L520-V522 HydrophobicContact CB-CG2 4.49Å; L520-V522 PolarHBondContact O-N 3.46Å; V522-H524 PolarHBondContact O-N 2.85Å; V522-I530 HydrophobicContact CG1-CG2 3.75Å; V522-P531 CarbonylContact C-O 3.56Å; V522-P531 WeakPolarHBondContact CA-O 3.47Å; V522-V532 HydrophobicContact CG2-CG2 4.21Å; V522-H604 PolarHBondContact N-CE1 3.42Å; V522-H604 PolarHBondContact N-NE2 2.91Å; V522-H604 PolarHBondContact O-NE2 2.87Å
523V88.7Confident91.8Very high6 Ų618.6 Ų18.64%0.03610%0.098CC..  trans-72.7122.4170.8179.20000108.7R512 C525 P531 F611R512-V523 PolarHBondContact NH1-O 2.61Å; R512-V523 VanDerWaalsContact NH1-O 3.13Å; V523-C525 PolarHBondContact O-N 3.41Å; V523-P531 HydrophobicContact CB-CB 4.05Å; V523-P531 HydrophobicContact CB-CG 3.99Å; V523-P531 HydrophobicContact CG2-CB 3.99Å; V523-P531 HydrophobicContact CG2-CG 4.43Å; V523-P531 PolarHBondContact N-O 3.06Å; V523-F611 HydrophobicContact CG1-CE2 3.62Å; V523-F611 HydrophobicContact CG1-CZ 4.09Å
524H83.1Confident92.1Very high7 Ų716 Ų163%0.0329%0.087CC..  trans-80.1104.9-174.2-154-170.4000110.1V522 S606 E608 N610 L616V522-H524 PolarHBondContact O-N 2.85Å; H524-S606 PolarHBondContact CE1-O 2.76Å; H524-S606 PolarHBondContact ND1-O 3.36Å; H524-E608 PolarHBondContact ND1-O 3.42Å; H524-E608 VanDerWaalsContact ND1-O 3.15Å; H524-N610 WeakPolarHBondContact CB-OD1 3.42Å; H524-N610 PolarHBondContact N-ND2 3.33Å; H524-N610 PolarHBondContact O-N 3.15Å; H524-L616 HydrophobicContact CB-CD1 4.13Å; H524-L616 WeakPolarHBondContact CD2-CD1 3.45Å; H524-L616 WeakPolarHBondContact NE2-CD1 3.23Å
525C82.2Confident92.1Very high0 Ų017.8 Ų17.80%010%0.103CC..  trans-147.2151.1-172.964.70000112.9D388 G389 R512 V523 S527 I529 F618D388-C525 WeakPolarHBondContact O-CB 3.38Å; D388-C525 PolarHBondContact O-SG 3.39Å; G389-C525 VanDerWaalsContact O-CB 3.31Å; G389-C525 WeakPolarHBondContact O-CB 3.3Å; R512-C525 PolarHBondContact NH1-O 3.43Å; R512-C525 VanDerWaalsContact NH1-O 3.13Å; R512-C525 PolarHBondContact NH1-SG 3.43Å; R512-C525 PolarHBondContact NH2-O 3.37Å; R512-C525 PolarHBondContact NH2-SG 3.26Å; V523-C525 PolarHBondContact O-N 3.41Å; C525-S527 PolarHBondContact O-N 3.02Å; C525-I529 PolarHBondContact SG-O 2.94Å; C525-F618 WeakPolarHBondContact O-CE2 3.21Å
526P86.1Confident92.1Very high30 Ų3020.9 Ų20.920%0.19512%0.12CC..SBendtrans-80.6-4.5-170.327.3-30.3000115.9V391 L616 F618V391-P526 HydrophobicContact CB-CG 3.84Å; V391-P526 HydrophobicContact CG2-CB 4.34Å; V391-P526 HydrophobicContact CG2-CG 3.77Å; P526-L616 HydrophobicContact CB-CD2 3.59Å; P526-L616 HydrophobicContact CG-CD2 4.13Å; P526-F618 HydrophobicContact CB-CE2 4.48Å; P526-F618 HydrophobicContact CB-CZ 4.43Å; P526-F618 WeakPolarHBondContact O-CZ 3.46Å
527S94.2Very high92.2Very high0 Ų020.4 Ų20.40%012%0.12CC..SBendtrans-91.3-177.9-174.978.40000114G389 Y419 R512 C525 I529G389-S527 VanDerWaalsContact C-OG 3.28Å; G389-S527 WeakPolarHBondContact CA-OG 3.32Å; G389-S527 WeakPolarHBondContact O-CB 3.46Å; G389-S527 PolarHBondContact O-N 2.88Å; G389-S527 PolarHBondContact O-OG 3.15Å; Y419-S527 WeakPolarHBondContact OH-CA 3.42Å; R512-S527 PolarHBondContact NH2-O 3.19Å; C525-S527 PolarHBondContact O-N 3.02Å; S527-I529 VanDerWaalsContact C-N 3.25Å; S527-I529 PolarHBondContact OG-N 3.42Å
528H96.4Very high92.4Very high0 Ų019 Ų190%012%0.118CC..SBendtrans-77.3-817465.3-75.5000114.4Y253 H414 L418 Y419 H504 V508Y253-H528 AromaticContact CD1-CD2 3.67Å; Y253-H528 AromaticContact CD1-NE2 3.79Å; Y253-H528 AromaticContact CD2-NE2 3.9Å; Y253-H528 AromaticContact CE1-CD2 3.68Å; Y253-H528 AromaticContact CE1-NE2 3.46Å; Y253-H528 WeakPolarHBondContact CE1-NE2 3.31Å; Y253-H528 AromaticContact CE2-NE2 3.53Å; Y253-H528 AromaticContact CZ-NE2 3.3Å; Y253-H528 VanDerWaalsContact CZ-NE2 3.3Å; H414-H528 PolarHBondContact O-CE1 2.87Å; L418-H528 WeakPolarHBondContact CD1-CE1 3.32Å; Y419-H528 AromaticContact CE2-ND1 3.74Å; Y419-H528 AromaticContact CZ-ND1 3.79Å; Y419-H528 PolarHBondContact OH-N 3.17Å; Y419-H528 VanDerWaalsContact OH-N 3.13Å; Y419-H528 PolarHBondContact OH-ND1 2.97Å; H504-H528 WeakPolarHBondContact CE1-CB 3.23Å; H504-H528 AromaticContact CE1-CD2 3.72Å; H504-H528 AromaticContact CE1-CG 3.47Å; H504-H528 VanDerWaalsContact CE1-CG 3.47Å; H504-H528 AromaticContact NE2-CD2 3.97Å; V508-H528 HydrophobicContact CG2-CB 3.71Å
529I97Very high92.6Very high0 Ų021.1 Ų21.10%012%0.123CC..  trans-89.6128.7178.4-58.3163.3000107V384 R512 C525 S527 P531 R571V384-I529 HydrophobicContact CG1-CD1 4.08Å; R512-I529 PolarHBondContact NH2-O 2.95Å; C525-I529 PolarHBondContact SG-O 2.94Å; S527-I529 VanDerWaalsContact C-N 3.25Å; S527-I529 PolarHBondContact OG-N 3.42Å; I529-P531 HydrophobicContact CG2-CG 4.42Å; I529-P531 WeakPolarHBondContact O-CD 3.29Å; I529-R571 HydrophobicContact CG2-CG 3.85Å
530I96.4Very high92.8Very high0 Ų020.7 Ų20.70%012%0.119CC..EExtended strand (participates in β ladder)trans-115.994.6-179.5-51.8172000108.1V508 M511 R512 L515 V522 I572 P574V508-I530 HydrophobicContact CG1-CD1 4.29Å; V508-I530 HydrophobicContact CG1-CG1 4.35Å; M511-I530 HydrophobicContact CB-CD1 3.89Å; M511-I530 HydrophobicContact CG-CD1 3.94Å; R512-I530 HydrophobicContact CB-CD1 3.99Å; R512-I530 HydrophobicContact CB-CG1 4.42Å; L515-I530 HydrophobicContact CD1-CG2 3.75Å; V522-I530 HydrophobicContact CG1-CG2 3.75Å; I530-I572 HydrophobicContact CB-CB 4.27Å; I530-I572 PolarHBondContact N-O 2.67Å; I530-I572 PolarHBondContact O-N 3.15Å; I530-P574 HydrophobicContact CD1-CG 3.88Å
531P95.8Very high92.8Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-80.9132.8175.6-3.121.6000110M387 D388 V522 V523 I529 L569 L570M387-P531 VanDerWaalsContact O-CG 3.3Å; M387-P531 WeakPolarHBondContact O-CG 3.04Å; D388-P531 WeakPolarHBondContact O-CG 3.47Å; V522-P531 CarbonylContact C-O 3.56Å; V522-P531 WeakPolarHBondContact CA-O 3.47Å; V523-P531 HydrophobicContact CB-CB 4.05Å; V523-P531 HydrophobicContact CB-CG 3.99Å; V523-P531 HydrophobicContact CG2-CB 3.99Å; V523-P531 HydrophobicContact CG2-CG 4.43Å; V523-P531 PolarHBondContact N-O 3.06Å; I529-P531 HydrophobicContact CG2-CG 4.42Å; I529-P531 WeakPolarHBondContact O-CD 3.29Å; P531-L569 HydrophobicContact CB-CD1 4.2Å; P531-L569 HydrophobicContact CB-CD2 3.99Å; P531-L570 WeakPolarHBondContact CA-O 3.26Å
532V95.8Very high92.9Very high0 Ų023.9 Ų23.90%013%0.133CC..EExtended strand (participates in β ladder)trans-114.4115.1171.6-176.90000108L515 L520 P521 V522 V534 L569 L570 I572 W594L515-V532 HydrophobicContact CD1-CG2 4.45Å; L520-V532 HydrophobicContact CB-CG1 4.29Å; P521-V532 HydrophobicContact CG-CG1 4.15Å; V522-V532 HydrophobicContact CG2-CG2 4.21Å; V532-V534 PolarHBondContact O-N 2.94Å; V532-L569 CarbonylContact O-C 3.11Å; V532-L569 VanDerWaalsContact O-CA 3.23Å; V532-L569 WeakPolarHBondContact O-CA 3.2Å; V532-L569 WeakPolarHBondContact O-CB 3.14Å; V532-L570 HydrophobicContact CB-CB 4.36Å; V532-L570 PolarHBondContact N-O 3.45Å; V532-L570 PolarHBondContact O-N 3.32Å; V532-I572 HydrophobicContact CG2-CD1 3.7Å; V532-W594 HydrophobicContact CG1-CH2 3.84Å; V532-W594 HydrophobicContact CG1-CZ3 3.94Å
533R95.1Very high93.1Very high99 Ų9923.6 Ų23.637%0.37413%0.132SC..EExtended strand (participates in β ladder)trans-76.3125.5-171.8-177.2173.4-71.1154.5-5.7111.3P521 A535 W594P521-R533 WeakPolarHBondContact CG-O 3.4Å; P521-R533 PolarHBondContact O-N 2.84Å; R533-A535 HydrophobicContact CG-CB 4.14Å; R533-W594 WeakPolarHBondContact O-CH2 3.33Å
534V95.1Very high93.5Very high14 Ų1423.4 Ų23.49%0.08513%0.131CC..  trans-103.4-35.4173.1-176.30000111.2V532 D536 K539 N540 E568 L570 W594 L599V532-V534 PolarHBondContact O-N 2.94Å; V534-D536 PolarHBondContact O-N 3.15Å; V534-D536 VanDerWaalsContact O-N 3.16Å; V534-K539 HydrophobicContact CG1-CB 4.11Å; V534-N540 HydrophobicContact CB-CB 3.94Å; V534-N540 HydrophobicContact CG1-CB 3.85Å; V534-N540 HydrophobicContact CG2-CB 4.19Å; V534-N540 WeakPolarHBondContact CG2-OD1 3.43Å; V534-E568 PolarHBondContact N-O 3.08Å; V534-L570 HydrophobicContact CG2-CG 4.21Å; V534-W594 HydrophobicContact CG2-CH2 3.75Å; V534-W594 HydrophobicContact CG2-CZ3 3.81Å; V534-L599 HydrophobicContact CG1-CD1 3.95Å; V534-L599 HydrophobicContact CG1-CD2 4.21Å
535A93.2Very high94.1Very high49 Ų4925.1 Ų25.141%0.40514%0.14SC..  trans59.416.2178.800000115.7R533 G566 E568R533-A535 HydrophobicContact CG-CB 4.14Å; A535-G566 VanDerWaalsContact CB-O 3.25Å; A535-G566 WeakPolarHBondContact CB-O 3.14Å; A535-E568 WeakPolarHBondContact CA-OE2 3.46Å; A535-E568 PolarHBondContact N-O 3.03Å
536D94Very high94.7Very high66 Ų6626.6 Ų26.635%0.35315%0.147SC..  trans-146.4122.1174.8-178.3-64.8000109.3V534 A538 K539 N540 E568V534-D536 PolarHBondContact O-N 3.15Å; V534-D536 VanDerWaalsContact O-N 3.16Å; D536-A538 WeakPolarHBondContact OD1-CB 3.09Å; D536-A538 PolarHBondContact OD1-N 3.25Å; D536-K539 HydrophobicContact CB-CB 4.11Å; D536-K539 HydrophobicContact CB-CD 4.42Å; D536-K539 HydrophobicContact CB-CG 4.3Å; D536-K539 PolarHBondContact OD1-N 2.74Å; D536-N540 WeakPolarHBondContact O-CB 3.47Å; D536-N540 PolarHBondContact O-N 3.46Å; D536-E568 PolarHBondContact N-OE2 3.26Å
537A91.6Very high95.2Very high15 Ų1525.2 Ų25.212%0.12414%0.138CC..Hα-helixtrans-67.5-36.6-174.300000113.8H214 T541 N559 E568H214-A537 HydrophobicContact CB-CB 4.34Å; A537-T541 WeakPolarHBondContact O-CB 3.45Å; A537-T541 PolarHBondContact O-N 3.21Å; A537-T541 VanDerWaalsContact O-N 3.13Å; A537-T541 PolarHBondContact O-OG1 3.47Å; A537-N559 HydrophobicContact CB-CB 4.38Å; A537-N559 PolarHBondContact O-ND2 3.07Å; A537-E568 HydrophobicContact CB-CG 3.99Å
538A92.8Very high95.2Very high41 Ų4125.4 Ų25.434%0.33914%0.139SC..Hα-helixtrans-70.6-49.9-179.100000109.7D536 N540 T541 E542D536-A538 WeakPolarHBondContact OD1-CB 3.09Å; D536-A538 PolarHBondContact OD1-N 3.25Å; A538-N540 VanDerWaalsContact C-N 3.33Å; A538-N540 PolarHBondContact O-N 2.73Å; A538-T541 PolarHBondContact O-N 2.96Å; A538-E542 WeakPolarHBondContact O-CB 3.06Å; A538-E542 PolarHBondContact O-N 3.18Å
539K95.3Very high95Very high70 Ų7027.8 Ų27.830%0.30416%0.156SC..Hα-helixtrans-63.2-37.9176.2-65.7-169.7177.2-169.40112.4V534 D536 T541 E542 V543 V597 G598 L599V534-K539 HydrophobicContact CG1-CB 4.11Å; D536-K539 HydrophobicContact CB-CB 4.11Å; D536-K539 HydrophobicContact CB-CD 4.42Å; D536-K539 HydrophobicContact CB-CG 4.3Å; D536-K539 PolarHBondContact OD1-N 2.74Å; K539-T541 VanDerWaalsContact C-N 3.32Å; K539-T541 PolarHBondContact O-N 2.81Å; K539-E542 PolarHBondContact O-N 2.91Å; K539-V543 WeakPolarHBondContact O-CG2 3.4Å; K539-V543 PolarHBondContact O-N 3.26Å; K539-V597 HydrophobicContact CB-CG1 3.88Å; K539-V597 HydrophobicContact CD-CG1 4.27Å; K539-V597 HydrophobicContact CG-CG1 3.97Å; K539-G598 PolarHBondContact NZ-O 3.13Å; K539-L599 HydrophobicContact CB-CD2 4.31Å; K539-L599 HydrophobicContact CD-CD2 3.53Å; K539-L599 HydrophobicContact CD-CG 4.22Å
540N96.1Very high94.8Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-61.6-43.9177.2-166.624000111V534 D536 A538 C544 A557 I558 N559 E568 L569 L570V534-N540 HydrophobicContact CB-CB 3.94Å; V534-N540 HydrophobicContact CG1-CB 3.85Å; V534-N540 HydrophobicContact CG2-CB 4.19Å; V534-N540 WeakPolarHBondContact CG2-OD1 3.43Å; D536-N540 WeakPolarHBondContact O-CB 3.47Å; D536-N540 PolarHBondContact O-N 3.46Å; A538-N540 VanDerWaalsContact C-N 3.33Å; A538-N540 PolarHBondContact O-N 2.73Å; N540-C544 PolarHBondContact O-N 2.91Å; N540-C544 VanDerWaalsContact O-N 3.14Å; N540-A557 HydrophobicContact CB-CB 4.23Å; N540-A557 WeakPolarHBondContact O-CB 3.41Å; N540-I558 PolarHBondContact ND2-N 2.88Å; N540-I558 PolarHBondContact ND2-O 2.8Å; N540-N559 PolarHBondContact ND2-OD1 3.14Å; N540-E568 HydrophobicContact CB-CB 4.32Å; N540-L569 PolarHBondContact ND2-N 3.27Å; N540-L569 PolarHBondContact ND2-O 3.5Å; N540-L569 PolarHBondContact OD1-O 2.9Å; N540-L570 VanDerWaalsContact OD1-CD2 3.23Å; N540-L570 WeakPolarHBondContact OD1-CD2 3.48Å
541T94.8Very high94.8Very high41 Ų4136 Ų3625%0.25219%0.187SC..Hα-helixtrans-64.6-43.3175.8-52.70000111.2A537 A538 K539 V543 C544 D545 N559A537-T541 WeakPolarHBondContact O-CB 3.45Å; A537-T541 PolarHBondContact O-N 3.21Å; A537-T541 VanDerWaalsContact O-N 3.13Å; A537-T541 PolarHBondContact O-OG1 3.47Å; A538-T541 PolarHBondContact O-N 2.96Å; K539-T541 VanDerWaalsContact C-N 3.32Å; K539-T541 PolarHBondContact O-N 2.81Å; T541-V543 PolarHBondContact O-N 3.23Å; T541-C544 WeakPolarHBondContact O-CB 3.41Å; T541-C544 PolarHBondContact O-N 3.19Å; T541-D545 WeakPolarHBondContact O-CB 3.5Å; T541-D545 VanDerWaalsContact O-CG 3.31Å; T541-D545 PolarHBondContact O-N 2.91Å; T541-N559 PolarHBondContact OG1-ND2 3.35Å
542E95.3Very high94.8Very high58 Ų5838.9 Ų38.927%0.27120%0.203SC..Hα-helixtrans-59.8-46.5177.4-170.2178.6179.900112A538 K539 C544 D545 E546 V597A538-E542 WeakPolarHBondContact O-CB 3.06Å; A538-E542 PolarHBondContact O-N 3.18Å; K539-E542 PolarHBondContact O-N 2.91Å; E542-C544 PolarHBondContact O-N 3.38Å; E542-D545 PolarHBondContact O-N 2.73Å; E542-E546 HydrophobicContact CG-CG 4.4Å; E542-E546 VanDerWaalsContact O-CB 3.32Å; E542-E546 WeakPolarHBondContact O-CB 3.37Å; E542-E546 WeakPolarHBondContact O-CG 3.45Å; E542-E546 PolarHBondContact O-N 2.81Å; E542-V597 HydrophobicContact CB-CG1 4.36Å; E542-V597 HydrophobicContact CB-CG2 4.43Å; E542-V597 HydrophobicContact CG-CG1 4.33Å; E542-V597 HydrophobicContact CG-CG2 3.85Å; E542-V597 WeakPolarHBondContact OE2-CG1 3.49Å
543V97.2Very high94.9Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-60.4-44.2176.2173.90000111.6K539 T541 L547 L570 L590 T593 V597 L599K539-V543 WeakPolarHBondContact O-CG2 3.4Å; K539-V543 PolarHBondContact O-N 3.26Å; T541-V543 PolarHBondContact O-N 3.23Å; V543-L547 HydrophobicContact CG1-CD1 3.93Å; V543-L547 HydrophobicContact CG1-CG 4.46Å; V543-L547 WeakPolarHBondContact O-CB 3.43Å; V543-L547 VanDerWaalsContact O-CG 3.32Å; V543-L547 WeakPolarHBondContact O-CG 3.19Å; V543-L547 PolarHBondContact O-N 2.84Å; V543-L570 HydrophobicContact CG1-CD1 3.82Å; V543-L590 HydrophobicContact CG1-CD1 4.01Å; V543-T593 HydrophobicContact CB-CG2 4.32Å; V543-T593 HydrophobicContact CG1-CG2 4.05Å; V543-T593 HydrophobicContact CG2-CG2 4.37Å; V543-V597 HydrophobicContact CG2-CB 4.11Å; V543-V597 HydrophobicContact CG2-CG1 4.12Å; V543-V597 HydrophobicContact CG2-CG2 3.94Å; V543-L599 HydrophobicContact CG2-CD1 3.81Å
544C96.4Very high95.1Very high2 Ų235.5 Ų35.51%0.01419%0.19CC..Hα-helixtrans-59.5-46.21761660000111.7N540 T541 E542 M548 V555 A557N540-C544 PolarHBondContact O-N 2.91Å; N540-C544 VanDerWaalsContact O-N 3.14Å; T541-C544 WeakPolarHBondContact O-CB 3.41Å; T541-C544 PolarHBondContact O-N 3.19Å; E542-C544 PolarHBondContact O-N 3.38Å; C544-M548 VanDerWaalsContact O-CB 3.31Å; C544-M548 WeakPolarHBondContact O-CB 3.36Å; C544-M548 PolarHBondContact O-N 2.74Å; C544-M548 VanDerWaalsContact O-N 3.08Å; C544-V555 PolarHBondContact SG-O 3.32Å; C544-A557 HydrophobicContact CB-CB 3.76Å
545D94.9Very high95.2Very high43 Ų4334.8 Ų34.823%0.2319%0.186CC..Hα-helixtrans-70.1-39-177-73.2-6.5000112.4K220 T541 E542 M548 S549K220-D545 WeakPolarHBondContact CE-OD1 3.29Å; K220-D545 IonicContact NZ-OD1 3.4Å; K220-D545 PolarHBondContact NZ-OD1 3.15Å; K220-D545 IonicContact NZ-OD2 3.11Å; T541-D545 WeakPolarHBondContact O-CB 3.5Å; T541-D545 VanDerWaalsContact O-CG 3.31Å; T541-D545 PolarHBondContact O-N 2.91Å; E542-D545 PolarHBondContact O-N 2.73Å; D545-M548 PolarHBondContact O-N 3.21Å; D545-S549 VanDerWaalsContact O-CB 3.26Å; D545-S549 WeakPolarHBondContact O-CB 3.23Å; D545-S549 PolarHBondContact O-N 2.86Å; D545-S549 PolarHBondContact O-OG 3.43Å
546E95.7Very high95.4Very high31 Ų3135.2 Ų35.215%0.14518%0.18CC..Hα-helixtrans-67.5-44.9176.6-76.6-65.116000112.1E542 M548 R550 T593E542-E546 HydrophobicContact CG-CG 4.4Å; E542-E546 VanDerWaalsContact O-CB 3.32Å; E542-E546 WeakPolarHBondContact O-CB 3.37Å; E542-E546 WeakPolarHBondContact O-CG 3.45Å; E542-E546 PolarHBondContact O-N 2.81Å; E546-M548 VanDerWaalsContact C-N 3.28Å; E546-M548 PolarHBondContact O-N 3.28Å; E546-R550 VanDerWaalsContact CD-NH2 3.31Å; E546-R550 WeakPolarHBondContact O-CB 3.49Å; E546-R550 PolarHBondContact O-N 2.92Å; E546-R550 IonicContact OE1-CZ 2.71Å; E546-R550 IonicContact OE1-NE 2.69Å; E546-R550 IonicContact OE1-NH2 3.18Å; E546-R550 PolarHBondContact OE1-NH2 3.5Å; E546-R550 WeakPolarHBondContact OE2-CD 3.32Å; E546-R550 WeakPolarHBondContact OE2-CG 3.38Å; E546-R550 IonicContact OE2-CZ 3.23Å; E546-R550 IonicContact OE2-NE 2.81Å; E546-R550 PolarHBondContact OE2-NE 2.95Å; E546-R550 IonicContact OE2-NH1 3.45Å; E546-R550 PolarHBondContact OE2-NH1 3.44Å; E546-R550 IonicContact OE2-NH2 3.35Å; E546-R550 PolarHBondContact OE2-NH2 3.4Å; E546-R550 VanDerWaalsContact OE2-NH2 3.11Å; E546-T593 HydrophobicContact CB-CG2 3.53Å; E546-T593 HydrophobicContact CG-CG2 4.44Å
547L96.7Very high95.5Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-59.5-40.7173.7-78174.2000112.3V543 H551 N552 I553 V555 N589 L590 T593V543-L547 HydrophobicContact CG1-CD1 3.93Å; V543-L547 HydrophobicContact CG1-CG 4.46Å; V543-L547 WeakPolarHBondContact O-CB 3.43Å; V543-L547 VanDerWaalsContact O-CG 3.32Å; V543-L547 WeakPolarHBondContact O-CG 3.19Å; V543-L547 PolarHBondContact O-N 2.84Å; L547-H551 HydrophobicContact CD2-CB 4.5Å; L547-H551 CarbonylContact O-C 3.59Å; L547-H551 WeakPolarHBondContact O-CA 3.36Å; L547-H551 WeakPolarHBondContact O-CB 3.23Å; L547-H551 PolarHBondContact O-N 2.87Å; L547-N552 PolarHBondContact O-N 3.35Å; L547-N552 VanDerWaalsContact O-N 3.13Å; L547-I553 CarbonylContact C-O 3.58Å; L547-I553 HydrophobicContact CB-CB 4.21Å; L547-I553 HydrophobicContact CB-CG2 4.29Å; L547-I553 HydrophobicContact CD2-CB 4.45Å; L547-I553 HydrophobicContact CD2-CD1 4.23Å; L547-I553 HydrophobicContact CD2-CG2 4.47Å; L547-I553 PolarHBondContact O-N 2.89Å; L547-V555 HydrophobicContact CD1-CG1 3.48Å; L547-V555 VanDerWaalsContact CD1-CG1 3.48Å; L547-N589 HydrophobicContact CD2-CB 4.26Å; L547-L590 HydrophobicContact CD1-CD1 3.88Å; L547-T593 HydrophobicContact CG-CG2 4.38Å
548M94.1Very high95.7Very high5 Ų532.9 Ų32.93%0.02517%0.166CC..Hα-helixtrans-71.9-49-178.5-172.4155.2-179.300111.8K220 V222 D234 S236 C544 D545 E546 N552 I553 Y554K220-M548 HydrophobicContact CB-CE 3.91Å; K220-M548 HydrophobicContact CB-SD 4.09Å; K220-M548 HydrophobicContact CD-CE 4.16Å; K220-M548 HydrophobicContact CD-SD 3.66Å; K220-M548 HydrophobicContact CG-CE 4.17Å; K220-M548 HydrophobicContact CG-SD 3.7Å; V222-M548 HydrophobicContact CG1-CE 3.98Å; D234-M548 HydrophobicContact CB-CE 3.97Å; D234-M548 WeakPolarHBondContact OD1-CE 3.48Å; D234-M548 VanDerWaalsContact OD2-CE 3.26Å; D234-M548 WeakPolarHBondContact OD2-CE 3.21Å; S236-M548 WeakPolarHBondContact OG-CE 3.35Å; C544-M548 VanDerWaalsContact O-CB 3.31Å; C544-M548 WeakPolarHBondContact O-CB 3.36Å; C544-M548 PolarHBondContact O-N 2.74Å; C544-M548 VanDerWaalsContact O-N 3.08Å; D545-M548 PolarHBondContact O-N 3.21Å; E546-M548 VanDerWaalsContact C-N 3.28Å; E546-M548 PolarHBondContact O-N 3.28Å; M548-N552 PolarHBondContact O-N 3Å; M548-I553 VanDerWaalsContact CA-O 3.23Å; M548-I553 WeakPolarHBondContact CA-O 3.46Å; M548-I553 PolarHBondContact N-O 3.47Å; M548-I553 VanDerWaalsContact N-O 3.16Å; M548-Y554 HydrophobicContact SD-CD2 3.71Å; M548-Y554 HydrophobicContact SD-CE2 4.31Å; M548-Y554 HydrophobicContact SD-CG 4.24Å
549S92.3Very high95.6Very high50 Ų5031.7 Ų31.735%0.3515%0.154SC..Hα-helixtrans-76.7-39.5-172.361.60000114.1D545D545-S549 VanDerWaalsContact O-CB 3.26Å; D545-S549 WeakPolarHBondContact O-CB 3.23Å; D545-S549 PolarHBondContact O-N 2.86Å; D545-S549 PolarHBondContact O-OG 3.43Å
550R93.1Very high95.3Very high146 Ų14633 Ų3355%0.55116%0.158SC*.Hα-helixtrans-96.7-34.2-176.6-61.6-168-174.1158.318.5113.5E546E546-R550 VanDerWaalsContact CD-NH2 3.31Å; E546-R550 WeakPolarHBondContact O-CB 3.49Å; E546-R550 PolarHBondContact O-N 2.92Å; E546-R550 IonicContact OE1-CZ 2.71Å; E546-R550 IonicContact OE1-NE 2.69Å; E546-R550 IonicContact OE1-NH2 3.18Å; E546-R550 PolarHBondContact OE1-NH2 3.5Å; E546-R550 WeakPolarHBondContact OE2-CD 3.32Å; E546-R550 WeakPolarHBondContact OE2-CG 3.38Å; E546-R550 IonicContact OE2-CZ 3.23Å; E546-R550 IonicContact OE2-NE 2.81Å; E546-R550 PolarHBondContact OE2-NE 2.95Å; E546-R550 IonicContact OE2-NH1 3.45Å; E546-R550 PolarHBondContact OE2-NH1 3.44Å; E546-R550 IonicContact OE2-NH2 3.35Å; E546-R550 PolarHBondContact OE2-NH2 3.4Å; E546-R550 VanDerWaalsContact OE2-NH2 3.11Å
551H95.3Very high94.8Very high25 Ų2536.5 Ų36.512%0.11618%0.181CC..Hα-helixtrans-112.90.7-169.6-54-75.8000113.6L547 I553 Y585 N589L547-H551 HydrophobicContact CD2-CB 4.5Å; L547-H551 CarbonylContact O-C 3.59Å; L547-H551 WeakPolarHBondContact O-CA 3.36Å; L547-H551 WeakPolarHBondContact O-CB 3.23Å; L547-H551 PolarHBondContact O-N 2.87Å; H551-I553 HydrophobicContact CB-CD1 3.99Å; H551-I553 HydrophobicContact CB-CG1 4.43Å; H551-I553 PolarHBondContact O-N 2.88Å; H551-Y585 PolarHBondContact O-OH 2.78Å; H551-N589 HydrophobicContact CB-CB 4.03Å; H551-N589 PolarHBondContact CE1-OD1 3.46Å; H551-N589 PolarHBondContact ND1-OD1 3.43Å
552N96.7Very high94.3Very high62 Ų6237.5 Ų37.533%0.33219%0.187SC..  trans54.335.8-178.8-59.6-57.3000113Q244 V245 S246 L547 M548Q244-N552 WeakPolarHBondContact O-CB 3.45Å; V245-N552 CarbonylContact C-O 3.55Å; V245-N552 VanDerWaalsContact CA-O 3.25Å; V245-N552 WeakPolarHBondContact CA-O 3.37Å; V245-N552 WeakPolarHBondContact CB-O 3.43Å; V245-N552 HydrophobicContact CG1-CB 4.17Å; S246-N552 PolarHBondContact N-O 2.97Å; S246-N552 PolarHBondContact OG-O 2.68Å; L547-N552 PolarHBondContact O-N 3.35Å; L547-N552 VanDerWaalsContact O-N 3.13Å; M548-N552 PolarHBondContact O-N 3Å
553I98.1Very high93.9Very high0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-114.9117.5179-71.3161.9000108.3L547 M548 H551 V555 Y585 F586 N589L547-I553 CarbonylContact C-O 3.58Å; L547-I553 HydrophobicContact CB-CB 4.21Å; L547-I553 HydrophobicContact CB-CG2 4.29Å; L547-I553 HydrophobicContact CD2-CB 4.45Å; L547-I553 HydrophobicContact CD2-CD1 4.23Å; L547-I553 HydrophobicContact CD2-CG2 4.47Å; L547-I553 PolarHBondContact O-N 2.89Å; M548-I553 VanDerWaalsContact CA-O 3.23Å; M548-I553 WeakPolarHBondContact CA-O 3.46Å; M548-I553 PolarHBondContact N-O 3.47Å; M548-I553 VanDerWaalsContact N-O 3.16Å; H551-I553 HydrophobicContact CB-CD1 3.99Å; H551-I553 HydrophobicContact CB-CG1 4.43Å; H551-I553 PolarHBondContact O-N 2.88Å; I553-V555 HydrophobicContact CG2-CG1 4.42Å; I553-Y585 HydrophobicContact CD1-CD1 3.95Å; I553-Y585 HydrophobicContact CD1-CE1 3.81Å; I553-Y585 HydrophobicContact CG1-CD1 4.38Å; I553-Y585 HydrophobicContact CG1-CE1 4.11Å; I553-F586 HydrophobicContact CD1-CD2 4.48Å; I553-F586 HydrophobicContact CG2-CD2 3.46Å; I553-F586 VanDerWaalsContact CG2-CD2 3.46Å; I553-F586 HydrophobicContact CG2-CE2 3.56Å; I553-N589 HydrophobicContact CD1-CB 3.88Å
554Y98.1Very high93.3Very high27 Ų2738.7 Ų38.711%0.10620%0.199CC..EExtended strand (participates in β ladder)trans-98.2105.5173.8-179.5-144.4000111.1K220 V222 S246 V247 W248 C249 M548 Q556K220-Y554 HydrophobicContact CB-CE2 4.16Å; K220-Y554 HydrophobicContact CG-CE2 3.95Å; V222-Y554 HydrophobicContact CG1-CD1 4.22Å; V222-Y554 HydrophobicContact CG1-CE1 4.37Å; V222-Y554 HydrophobicContact CG2-CD1 4.43Å; V222-Y554 HydrophobicContact CG2-CE1 4.04Å; S246-Y554 PolarHBondContact O-N 3.35Å; V247-Y554 HydrophobicContact CG1-CD1 3.98Å; V247-Y554 HydrophobicContact CG2-CD1 4.25Å; W248-Y554 PolarHBondContact N-O 3.37Å; C249-Y554 VanDerWaalsContact SG-CE1 3.5Å; M548-Y554 HydrophobicContact SD-CD2 3.71Å; M548-Y554 HydrophobicContact SD-CE2 4.31Å; M548-Y554 HydrophobicContact SD-CG 4.24Å; Y554-Q556 HydrophobicContact CE2-CB 4.22Å; Y554-Q556 PolarHBondContact OH-OE1 3.18Å
555V97.8Very high92.9Very high0 Ų044.8 Ų44.80%022%0.222CC..  trans-128.6125.2166.157.70000108.2W248 C544 L547 I553 L570 I572 F586W248-V555 HydrophobicContact CB-CB 4.32Å; C544-V555 PolarHBondContact SG-O 3.32Å; L547-V555 HydrophobicContact CD1-CG1 3.48Å; L547-V555 VanDerWaalsContact CD1-CG1 3.48Å; I553-V555 HydrophobicContact CG2-CG1 4.42Å; V555-L570 HydrophobicContact CG1-CD2 4.41Å; V555-L570 HydrophobicContact CG2-CB 4.19Å; V555-L570 HydrophobicContact CG2-CD2 4.43Å; V555-I572 HydrophobicContact CG2-CG1 4.09Å; V555-F586 HydrophobicContact CB-CE2 4.14Å; V555-F586 HydrophobicContact CB-CZ 4.43Å; V555-F586 HydrophobicContact CG1-CE2 4.14Å; V555-F586 HydrophobicContact CG1-CZ 4.33Å
556Q97.1Very high92.6Very high57 Ų5744.6 Ų44.627%0.26623%0.231SC..  trans-80.8131-172.2-177.860.361.400111.3C249 Y554 I558C249-Q556 HydrophobicContact CB-CB 3.98Å; Y554-Q556 HydrophobicContact CE2-CB 4.22Å; Y554-Q556 PolarHBondContact OH-OE1 3.18Å; Q556-I558 HydrophobicContact CB-CD1 4.33Å; Q556-I558 HydrophobicContact CG-CD1 3.91Å; Q556-I558 PolarHBondContact O-N 3.42Å
557A96.6Very high92.4Very high8 Ų847.6 Ų47.67%0.06624%0.244CC..EExtended strand (participates in β ladder)trans-66.8121.7163.200000110.5N540 C544N540-A557 HydrophobicContact CB-CB 4.23Å; N540-A557 WeakPolarHBondContact O-CB 3.41Å; C544-A557 HydrophobicContact CB-CB 3.76Å
558I95.4Very high92.3Very high24 Ų2448 Ų4812%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-102111.9176-50.2-58.9000109.3M387 N540 Q556 T562 V563 E568 L569 R571M387-I558 HydrophobicContact SD-CG2 3.83Å; N540-I558 PolarHBondContact ND2-N 2.88Å; N540-I558 PolarHBondContact ND2-O 2.8Å; Q556-I558 HydrophobicContact CB-CD1 4.33Å; Q556-I558 HydrophobicContact CG-CD1 3.91Å; Q556-I558 PolarHBondContact O-N 3.42Å; I558-T562 HydrophobicContact CG2-CG2 3.52Å; I558-V563 HydrophobicContact CG2-CG1 3.9Å; I558-V563 HydrophobicContact CG2-CG2 4.18Å; I558-E568 WeakPolarHBondContact O-CA 3.44Å; I558-L569 HydrophobicContact CB-CD1 3.92Å; I558-L569 HydrophobicContact CB-CG 4.35Å; I558-L569 WeakPolarHBondContact CB-O 3.26Å; I558-L569 HydrophobicContact CG1-CD1 3.95Å; I558-L569 PolarHBondContact N-O 3.2Å; I558-L569 PolarHBondContact O-N 3.42Å; I558-R571 HydrophobicContact CD1-CB 4.38Å; I558-R571 HydrophobicContact CG1-CB 3.73Å
559N91.4Very high92.4Very high17 Ų1748.3 Ų48.39%0.09125%0.248CC..  trans-119.4175.6179.2-58.9-22.2000111A537 N540 T541 T562 E568A537-N559 HydrophobicContact CB-CB 4.38Å; A537-N559 PolarHBondContact O-ND2 3.07Å; N540-N559 PolarHBondContact ND2-OD1 3.14Å; T541-N559 PolarHBondContact OG1-ND2 3.35Å; N559-T562 PolarHBondContact O-N 3.38Å; N559-E568 HydrophobicContact CB-CG 4.31Å; N559-E568 WeakPolarHBondContact OD1-CG 3.45Å
560Y87.4Confident92.6Very high97 Ų9746 Ų4638%0.3823%0.232SC..THydrogen-bonded Turntrans-51142.2171.8-179.8-89.5000112.3T215 V563 R565T215-Y560 HydrophobicContact CG2-CD1 3.98Å; T215-Y560 HydrophobicContact CG2-CG 4.4Å; Y560-V563 VanDerWaalsContact CA-O 3.29Å; Y560-V563 WeakPolarHBondContact CA-O 3.45Å; Y560-R565 HydrophobicContact CD2-CG 4.13Å; Y560-R565 HydrophobicContact CG-CG 4.28Å
561P85.9Confident92.8Very high74 Ų7439.4 Ų39.448%0.48121%0.207SC..THydrogen-bonded Turncis-88.711.12.636.8-39.3000115.3
562T84.3Confident92.9Very high61 Ų6138.2 Ų38.237%0.37420%0.201SC..SBendtrans-73.6-33.5-178.2-63.40000111.9R217 M387 I558 N559R217-T562 PolarHBondContact NH2-OG1 3.13Å; M387-T562 HydrophobicContact CE-CG2 4.04Å; M387-T562 HydrophobicContact CG-CG2 3.98Å; M387-T562 HydrophobicContact SD-CG2 3.58Å; M387-T562 VanDerWaalsContact SD-CG2 3.58Å; I558-T562 HydrophobicContact CG2-CG2 3.52Å; N559-T562 PolarHBondContact O-N 3.38Å
563V86.6Confident93Very high8 Ų835.3 Ų35.35%0.04819%0.186CC..SBendtrans-126.7156.5168.7-66.30000109.2M387 I558 Y560 E567 L569M387-V563 HydrophobicContact CB-CG1 3.85Å; M387-V563 HydrophobicContact CG-CG1 3.89Å; M387-V563 HydrophobicContact SD-CG1 4.46Å; I558-V563 HydrophobicContact CG2-CG1 3.9Å; I558-V563 HydrophobicContact CG2-CG2 4.18Å; Y560-V563 VanDerWaalsContact CA-O 3.29Å; Y560-V563 WeakPolarHBondContact CA-O 3.45Å; V563-E567 HydrophobicContact CB-CB 4.49Å; V563-L569 HydrophobicContact CG1-CD2 4.1Å; V563-L569 HydrophobicContact CG1-CG 4.45Å
564P86.3Confident93Very high75 Ų7535.3 Ų35.349%0.48719%0.186SC..  trans-56.3157171.4-2434.8000112.5E567P564-E567 HydrophobicContact CB-CB 4.48Å; P564-E567 HydrophobicContact CB-CG 4.24Å; P564-E567 WeakPolarHBondContact CD-OE2 3.43Å; P564-E567 PolarHBondContact O-N 3.43Å; P564-E567 VanDerWaalsContact O-N 3.14Å
565R86.8Confident93Very high130 Ų13034.1 Ų34.149%0.49118%0.181SC..THydrogen-bonded Turntrans-65.1138.1174.3-63.2-179.6-178-77.72.9110.3D213 Y560 E568D213-R565 VanDerWaalsContact CG-NH1 3.27Å; D213-R565 IonicContact OD1-CZ 2.82Å; D213-R565 VanDerWaalsContact OD1-CZ 3.23Å; D213-R565 IonicContact OD1-NH1 3.61Å; D213-R565 PolarHBondContact OD1-NH1 3.22Å; D213-R565 IonicContact OD1-NH2 2.74Å; D213-R565 PolarHBondContact OD1-NH2 2.89Å; D213-R565 VanDerWaalsContact OD1-NH2 3.15Å; D213-R565 IonicContact OD2-CZ 3.71Å; D213-R565 IonicContact OD2-NH1 3.84Å; D213-R565 PolarHBondContact OD2-NH1 3.01Å; D213-R565 VanDerWaalsContact OD2-NH1 3.15Å; D213-R565 IonicContact OD2-NH2 2.99Å; D213-R565 PolarHBondContact OD2-NH2 3.37Å; Y560-R565 HydrophobicContact CD2-CG 4.13Å; Y560-R565 HydrophobicContact CG-CG 4.28Å; R565-E568 WeakPolarHBondContact CA-OE1 3.35Å
566G89.6Confident93Very high40 Ų4034.9 Ų34.941%0.41219%0.187SC..THydrogen-bonded Turntrans81.8-3.5-173.600000113.7A535 E568A535-G566 VanDerWaalsContact CB-O 3.25Å; A535-G566 WeakPolarHBondContact CB-O 3.14Å; G566-E568 VanDerWaalsContact C-OE2 3.22Å; G566-E568 WeakPolarHBondContact CA-OE2 3.5Å; G566-E568 VanDerWaalsContact N-CD 3.34Å; G566-E568 PolarHBondContact N-OE1 2.9Å; G566-E568 VanDerWaalsContact N-OE1 3.08Å; G566-E568 PolarHBondContact N-OE2 3.24Å
567E90.7Very high93Very high93 Ų9334.7 Ų34.744%0.43519%0.186SC..  trans-110.219173.8-58.7-165166.100112.5V563 P564 L569V563-E567 HydrophobicContact CB-CB 4.49Å; P564-E567 HydrophobicContact CB-CB 4.48Å; P564-E567 HydrophobicContact CB-CG 4.24Å; P564-E567 WeakPolarHBondContact CD-OE2 3.43Å; P564-E567 PolarHBondContact O-N 3.43Å; P564-E567 VanDerWaalsContact O-N 3.14Å; E567-L569 PolarHBondContact O-N 3.14Å
568E94.5Very high93.1Very high9 Ų934.4 Ų34.44%0.04218%0.183CC..  trans-56.1136177.5-62.680.6-17200110.6V534 A535 D536 A537 N540 I558 N559 R565 G566V534-E568 PolarHBondContact N-O 3.08Å; A535-E568 WeakPolarHBondContact CA-OE2 3.46Å; A535-E568 PolarHBondContact N-O 3.03Å; D536-E568 PolarHBondContact N-OE2 3.26Å; A537-E568 HydrophobicContact CB-CG 3.99Å; N540-E568 HydrophobicContact CB-CB 4.32Å; I558-E568 WeakPolarHBondContact O-CA 3.44Å; N559-E568 HydrophobicContact CB-CG 4.31Å; N559-E568 WeakPolarHBondContact OD1-CG 3.45Å; R565-E568 WeakPolarHBondContact CA-OE1 3.35Å; G566-E568 VanDerWaalsContact C-OE2 3.22Å; G566-E568 WeakPolarHBondContact CA-OE2 3.5Å; G566-E568 VanDerWaalsContact N-CD 3.34Å; G566-E568 PolarHBondContact N-OE1 2.9Å; G566-E568 VanDerWaalsContact N-OE1 3.08Å; G566-E568 PolarHBondContact N-OE2 3.24Å
569L96.1Very high93.1Very high12 Ų1236 Ų366%0.06319%0.194CC..EExtended strand (participates in β ladder)trans-148.1157.1-171.360.384.5000112.4P531 V532 N540 I558 V563 E567 R571P531-L569 HydrophobicContact CB-CD1 4.2Å; P531-L569 HydrophobicContact CB-CD2 3.99Å; V532-L569 CarbonylContact O-C 3.11Å; V532-L569 VanDerWaalsContact O-CA 3.23Å; V532-L569 WeakPolarHBondContact O-CA 3.2Å; V532-L569 WeakPolarHBondContact O-CB 3.14Å; N540-L569 PolarHBondContact ND2-N 3.27Å; N540-L569 PolarHBondContact ND2-O 3.5Å; N540-L569 PolarHBondContact OD1-O 2.9Å; I558-L569 HydrophobicContact CB-CD1 3.92Å; I558-L569 HydrophobicContact CB-CG 4.35Å; I558-L569 WeakPolarHBondContact CB-O 3.26Å; I558-L569 HydrophobicContact CG1-CD1 3.95Å; I558-L569 PolarHBondContact N-O 3.2Å; I558-L569 PolarHBondContact O-N 3.42Å; V563-L569 HydrophobicContact CG1-CD2 4.1Å; V563-L569 HydrophobicContact CG1-CG 4.45Å; E567-L569 PolarHBondContact O-N 3.14Å; L569-R571 HydrophobicContact CD1-CB 3.85Å
570L97.4Very high93.2Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-88130.5160.1-62.4174.7000108.2P531 V532 V534 N540 V543 V555 L590 W594P531-L570 WeakPolarHBondContact CA-O 3.26Å; V532-L570 HydrophobicContact CB-CB 4.36Å; V532-L570 PolarHBondContact N-O 3.45Å; V532-L570 PolarHBondContact O-N 3.32Å; V534-L570 HydrophobicContact CG2-CG 4.21Å; N540-L570 VanDerWaalsContact OD1-CD2 3.23Å; N540-L570 WeakPolarHBondContact OD1-CD2 3.48Å; V543-L570 HydrophobicContact CG1-CD1 3.82Å; V555-L570 HydrophobicContact CG1-CD2 4.41Å; V555-L570 HydrophobicContact CG2-CB 4.19Å; V555-L570 HydrophobicContact CG2-CD2 4.43Å; L570-L590 HydrophobicContact CD1-CD1 3.87Å; L570-W594 HydrophobicContact CD1-CZ3 4.27Å
571R97.1Very high93.6Very high8 Ų837.2 Ų37.23%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-105.3101.2178.6-173.5-178.3178.9-80.90.4110.4N251 Y253 S386 H414 I529 I558 L569N251-R571 PolarHBondContact OD1-NH1 3.27Å; N251-R571 PolarHBondContact OD1-NH2 2.89Å; Y253-R571 PolarHBondContact OH-NH2 2.74Å; S386-R571 PolarHBondContact O-NE 2.73Å; S386-R571 PolarHBondContact O-NH2 2.65Å; H414-R571 PolarHBondContact CE1-NH2 3.23Å; H414-R571 VanDerWaalsContact CE1-NH2 3.34Å; I529-R571 HydrophobicContact CG2-CG 3.85Å; I558-R571 HydrophobicContact CD1-CB 4.38Å; I558-R571 HydrophobicContact CG1-CB 3.73Å; L569-R571 HydrophobicContact CD1-CB 3.85Å
572I98.1Very high94.1Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-93.5130.2-179.7-50.3168.8000108.9W248 L515 I530 V532 V555 F586W248-I572 HydrophobicContact CE3-CG2 4.22Å; L515-I572 HydrophobicContact CD1-CD1 3.73Å; L515-I572 HydrophobicContact CD2-CD1 4.28Å; I530-I572 HydrophobicContact CB-CB 4.27Å; I530-I572 PolarHBondContact N-O 2.67Å; I530-I572 PolarHBondContact O-N 3.15Å; V532-I572 HydrophobicContact CG2-CD1 3.7Å; V555-I572 HydrophobicContact CG2-CG1 4.09Å; I572-F586 HydrophobicContact CD1-CE1 3.66Å; I572-F586 HydrophobicContact CD1-CZ 3.68Å; I572-F586 HydrophobicContact CG1-CE1 4.4Å; I572-F586 HydrophobicContact CG1-CZ 3.94Å; I572-F586 HydrophobicContact CG2-CZ 4.37Å
573A97.9Very high94.8Very high1 Ų132.8 Ų32.81%0.00817%0.173CC..  trans-130.477.9-178.900000109.6W248 S250 Y253W248-A573 PolarHBondContact O-N 3.02Å; S250-A573 WeakPolarHBondContact O-CB 3.2Å; Y253-A573 HydrophobicContact CD1-CB 4.25Å; Y253-A573 HydrophobicContact CE1-CB 3.92Å
574P97.6Very high95.2Very high0 Ų034.7 Ų34.70%018%0.183CC..  trans-65.8153.4177.730.2-33000110.2H504 V508 M511 I530H504-P574 PolarHBondContact CD2-O 3.41Å; H504-P574 VanDerWaalsContact CD2-O 3.32Å; H504-P574 PolarHBondContact NE2-O 3.06Å; V508-P574 HydrophobicContact CB-CG 4.39Å; V508-P574 HydrophobicContact CG2-CG 3.86Å; M511-P574 HydrophobicContact CB-CB 4.45Å; M511-P574 HydrophobicContact CB-CG 4.21Å; M511-P574 HydrophobicContact CG-CG 4.41Å; I530-P574 HydrophobicContact CD1-CG 3.88Å
575T98.4Very high95.8Very high2 Ų236.1 Ų36.11%0.01218%0.179CC..  trans-124.4168.5-176.973.30000109.8F229 Y253 N507 H577 H578F229-T575 HydrophobicContact CE1-CG2 4.28Å; F229-T575 WeakPolarHBondContact CE1-OG1 3.46Å; F229-T575 HydrophobicContact CZ-CG2 4.03Å; Y253-T575 WeakPolarHBondContact O-CB 3.35Å; Y253-T575 WeakPolarHBondContact O-CG2 3.29Å; N507-T575 PolarHBondContact ND2-O 2.92Å; T575-H577 PolarHBondContact O-N 3.31Å; T575-H577 PolarHBondContact OG1-N 3.09Å; T575-H578 PolarHBondContact N-ND1 3.01Å; T575-H578 PolarHBondContact O-N 3.1Å; T575-H578 PolarHBondContact OG1-ND1 3.08Å
576P97.9Very high96.3Very high17 Ų1729.9 Ų29.911%0.1116%0.156CC..THydrogen-bonded Turntrans-53.6-22.8171.2-27.635.4000114.5Y253 L254 L500 Q503 H504 N507Y253-P576 WeakPolarHBondContact O-CD 3.27Å; L254-P576 HydrophobicContact CD2-CG 3.95Å; L500-P576 HydrophobicContact CD2-CB 4.47Å; L500-P576 HydrophobicContact CD2-CG 4.41Å; Q503-P576 HydrophobicContact CB-CB 3.98Å; Q503-P576 HydrophobicContact CB-CG 4.44Å; H504-P576 HydrophobicContact CB-CG 3.78Å; N507-P576 WeakPolarHBondContact ND2-CA 3.24Å; N507-P576 PolarHBondContact ND2-O 3.45Å
577H97.7Very high96.7Very high53 Ų5329 Ų2925%0.24514%0.142CC..THydrogen-bonded Turntrans-98.2-4.1-172.6-51.8-74.6000113.4F229 L254 R258 T575 T579F229-H577 HydrophobicContact CD1-CB 3.56Å; F229-H577 AromaticContact CD1-CD2 3.57Å; F229-H577 AromaticContact CD1-CG 3.67Å; F229-H577 HydrophobicContact CE1-CB 3.75Å; F229-H577 AromaticContact CE1-CD2 3.42Å; F229-H577 VanDerWaalsContact CE1-CD2 3.42Å; F229-H577 WeakPolarHBondContact CE1-CD2 3.31Å; F229-H577 AromaticContact CE1-CG 3.86Å; L254-H577 PolarHBondContact O-NE2 3.34Å; R258-H577 PolarHBondContact NH2-CE1 3.35Å; R258-H577 VanDerWaalsContact NH2-CG 3.31Å; R258-H577 PolarHBondContact NH2-ND1 3.33Å; R258-H577 PolarHBondContact NH2-NE2 3.04Å; T575-H577 PolarHBondContact O-N 3.31Å; T575-H577 PolarHBondContact OG1-N 3.09Å; H577-T579 PolarHBondContact O-N 2.74Å
578H98Very high97Very high1 Ų130.5 Ų30.51%0.00515%0.148CC..SBendtrans-77.6114.3166.4-72.389.6000108.5P230 V247 W248 N507 T575 M583P230-H578 VanDerWaalsContact CG-NE2 3.31Å; P230-H578 WeakPolarHBondContact CG-NE2 3.17Å; V247-H578 PolarHBondContact O-CE1 3.3Å; V247-H578 PolarHBondContact O-NE2 3.44Å; V247-H578 VanDerWaalsContact O-NE2 3.1Å; W248-H578 AromaticContact CD2-CD2 3.7Å; W248-H578 AromaticContact CD2-NE2 3.69Å; W248-H578 AromaticContact CE2-CD2 3.61Å; W248-H578 AromaticContact CE2-NE2 3.87Å; W248-H578 AromaticContact CE3-CD2 3.64Å; W248-H578 AromaticContact CE3-NE2 3.87Å; W248-H578 HydrophobicContact CH2-CB 4.13Å; W248-H578 AromaticContact CH2-CD2 3.43Å; W248-H578 VanDerWaalsContact CH2-CD2 3.43Å; W248-H578 WeakPolarHBondContact CH2-CD2 3.39Å; W248-H578 AromaticContact CZ2-CD2 3.5Å; W248-H578 HydrophobicContact CZ3-CB 4.17Å; W248-H578 AromaticContact CZ3-CD2 3.51Å; W248-H578 AromaticContact CZ3-CG 3.93Å; N507-H578 PolarHBondContact ND2-O 3.16Å; N507-H578 VanDerWaalsContact ND2-O 3.1Å; T575-H578 PolarHBondContact N-ND1 3.01Å; T575-H578 PolarHBondContact O-N 3.1Å; T575-H578 PolarHBondContact OG1-ND1 3.08Å; H578-M583 HydrophobicContact CB-CE 4.41Å; H578-M583 WeakPolarHBondContact O-CE 3.2Å
579T95.9Very high97.2Very high57 Ų5731.1 Ų31.135%0.3515%0.152SC..  trans-78.6158.6-179.771.60000111H577 Q581 M582 M583H577-T579 PolarHBondContact O-N 2.74Å; T579-Q581 PolarHBondContact O-N 2.9Å; T579-Q581 PolarHBondContact OG1-OE1 3.04Å; T579-M582 HydrophobicContact CG2-SD 4.38Å; T579-M582 WeakPolarHBondContact O-CB 3.48Å; T579-M582 PolarHBondContact O-N 3.31Å; T579-M582 WeakPolarHBondContact OG1-CG 3.37Å; T579-M582 PolarHBondContact OG1-N 3.17Å; T579-M583 WeakPolarHBondContact O-CG 3.5Å; T579-M583 PolarHBondContact O-N 2.95Å
580P93.6Very high97.3Very high16 Ų1630.6 Ų30.610%0.10415%0.149CC..Hα-helixtrans-55.8-34.1174.2-27.536.4000113.8L510 M583 N584 L632L510-P580 HydrophobicContact CD2-CB 4.31Å; L510-P580 HydrophobicContact CD2-CG 4.33Å; P580-M583 PolarHBondContact O-N 2.88Å; P580-N584 PolarHBondContact O-N 3.3Å; P580-L632 HydrophobicContact CB-CD1 3.63Å; P580-L632 HydrophobicContact CB-CD2 3.79Å; P580-L632 HydrophobicContact CB-CG 4.24Å; P580-L632 HydrophobicContact CG-CD1 3.8Å
581Q95.1Very high97.3Very high125 Ų12532.4 Ų32.458%0.58416%0.159SC*.Hα-helixtrans-64.8-41175.3-61.681.30.600111.6T579 M583 N584 Y585T579-Q581 PolarHBondContact O-N 2.9Å; T579-Q581 PolarHBondContact OG1-OE1 3.04Å; Q581-M583 VanDerWaalsContact C-N 3.33Å; Q581-N584 PolarHBondContact O-N 3.44Å; Q581-Y585 WeakPolarHBondContact O-CB 3.36Å; Q581-Y585 PolarHBondContact O-N 3.03Å
582M97.4Very high97.3Very high42 Ų4235.1 Ų35.121%0.20718%0.176CC..Hα-helixtrans-64.7-39173.7-65.6174.471.500111.3P230 M231 W248 T579 Y585 F586P230-M582 HydrophobicContact CG-CE 3.71Å; M231-M582 HydrophobicContact SD-CE 4.14Å; W248-M582 HydrophobicContact CH2-CB 4.16Å; W248-M582 HydrophobicContact CZ2-CB 3.93Å; W248-M582 WeakPolarHBondContact CZ2-O 3.1Å; T579-M582 HydrophobicContact CG2-SD 4.38Å; T579-M582 WeakPolarHBondContact O-CB 3.48Å; T579-M582 PolarHBondContact O-N 3.31Å; T579-M582 WeakPolarHBondContact OG1-CG 3.37Å; T579-M582 PolarHBondContact OG1-N 3.17Å; M582-Y585 PolarHBondContact O-N 3.38Å; M582-F586 WeakPolarHBondContact O-CB 3.38Å; M582-F586 PolarHBondContact O-N 2.96Å
583M97.9Very high97.2Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-64.3-43.3176.7-64.8-179.5-139.300112W248 N507 L510 M511 M514 H578 T579 P580 Q581 F586 L587W248-M583 HydrophobicContact CH2-CB 4.34Å; W248-M583 HydrophobicContact CH2-CG 3.88Å; W248-M583 HydrophobicContact CZ3-CG 4.13Å; N507-M583 HydrophobicContact CB-CE 3.75Å; L510-M583 HydrophobicContact CB-SD 4.47Å; L510-M583 HydrophobicContact CD2-CE 4.25Å; L510-M583 HydrophobicContact CD2-SD 3.74Å; L510-M583 HydrophobicContact CG-SD 4.11Å; M511-M583 HydrophobicContact CB-SD 4.09Å; M511-M583 HydrophobicContact SD-CB 3.74Å; M511-M583 HydrophobicContact SD-CG 3.76Å; M511-M583 HydrophobicContact SD-SD 4.2Å; M514-M583 HydrophobicContact CE-CB 4.01Å; M514-M583 HydrophobicContact SD-CB 4.19Å; H578-M583 HydrophobicContact CB-CE 4.41Å; H578-M583 WeakPolarHBondContact O-CE 3.2Å; T579-M583 WeakPolarHBondContact O-CG 3.5Å; T579-M583 PolarHBondContact O-N 2.95Å; P580-M583 PolarHBondContact O-N 2.88Å; Q581-M583 VanDerWaalsContact C-N 3.33Å; M583-F586 PolarHBondContact O-N 3.05Å; M583-L587 WeakPolarHBondContact O-CB 3.31Å; M583-L587 PolarHBondContact O-N 3.45Å
584N96.2Very high97.2Very high47 Ų4735.3 Ų35.325%0.25118%0.177SC..Hα-helixtrans-61.3-48.7174.5-79.1-24.6000111.2M514 P580 Q581 F586 L587 E588M514-N584 WeakPolarHBondContact CE-OD1 3.32Å; P580-N584 PolarHBondContact O-N 3.3Å; Q581-N584 PolarHBondContact O-N 3.44Å; N584-F586 VanDerWaalsContact C-N 3.3Å; N584-F586 PolarHBondContact O-N 2.99Å; N584-L587 PolarHBondContact O-N 3.37Å; N584-E588 WeakPolarHBondContact O-CB 3.46Å; N584-E588 WeakPolarHBondContact O-CG 3.14Å; N584-E588 PolarHBondContact O-N 2.92Å
585Y97.4Very high97.1Very high105 Ų10541.9 Ų41.941%0.41221%0.205SC..Hα-helixtrans-58.8-42.8176.4-176.7-99.3000111.8H551 I553 Q581 M582 N589H551-Y585 PolarHBondContact O-OH 2.78Å; I553-Y585 HydrophobicContact CD1-CD1 3.95Å; I553-Y585 HydrophobicContact CD1-CE1 3.81Å; I553-Y585 HydrophobicContact CG1-CD1 4.38Å; I553-Y585 HydrophobicContact CG1-CE1 4.11Å; Q581-Y585 WeakPolarHBondContact O-CB 3.36Å; Q581-Y585 PolarHBondContact O-N 3.03Å; M582-Y585 PolarHBondContact O-N 3.38Å; Y585-N589 WeakPolarHBondContact CD2-ND2 3.47Å; Y585-N589 WeakPolarHBondContact CE1-ND2 3.07Å; Y585-N589 WeakPolarHBondContact CE2-ND2 3.36Å; Y585-N589 VanDerWaalsContact CZ-ND2 3.25Å; Y585-N589 PolarHBondContact O-N 3.34Å; Y585-N589 PolarHBondContact O-ND2 2.87Å
586F98.3Very high96.9Very high0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-60-49.4175.1177.7-80.3000111.7W248 M511 L515 I553 V555 I572 M582 M583 N584 L590W248-F586 HydrophobicContact CB-CD2 4.32Å; W248-F586 HydrophobicContact CB-CE2 3.88Å; W248-F586 AromaticContact CD1-CD2 3.64Å; W248-F586 AromaticContact CD1-CE2 3.95Å; W248-F586 HydrophobicContact CD2-CB 4.45Å; W248-F586 AromaticContact CD2-CD2 3.45Å; W248-F586 HydrophobicContact CD2-CD2 3.45Å; W248-F586 VanDerWaalsContact CD2-CD2 3.45Å; W248-F586 AromaticContact CD2-CE2 3.88Å; W248-F586 HydrophobicContact CD2-CE2 3.88Å; W248-F586 HydrophobicContact CD2-CG 4.08Å; W248-F586 AromaticContact CE2-CD2 3.49Å; W248-F586 VanDerWaalsContact CE2-CD2 3.49Å; W248-F586 AromaticContact CE2-CG 3.98Å; W248-F586 HydrophobicContact CE3-CD2 4.04Å; W248-F586 HydrophobicContact CE3-CE2 4.4Å; W248-F586 HydrophobicContact CE3-CG 4.3Å; W248-F586 AromaticContact CG-CD2 3.55Å; W248-F586 HydrophobicContact CG-CD2 3.55Å; W248-F586 AromaticContact CG-CE2 3.62Å; W248-F586 HydrophobicContact CG-CE2 3.62Å; W248-F586 HydrophobicContact CH2-CB 3.91Å; W248-F586 HydrophobicContact CH2-CG 4.38Å; W248-F586 HydrophobicContact CZ2-CB 3.59Å; W248-F586 HydrophobicContact CZ2-CD2 4.11Å; W248-F586 HydrophobicContact CZ2-CG 4.13Å; W248-F586 HydrophobicContact CZ3-CB 4.44Å; W248-F586 HydrophobicContact CZ3-CG 4.45Å; W248-F586 AromaticContact NE1-CD2 3.59Å; M511-F586 HydrophobicContact CE-CB 4.44Å; M511-F586 HydrophobicContact CE-CD1 3.16Å; M511-F586 HydrophobicContact CE-CE1 3.51Å; M511-F586 HydrophobicContact CE-CG 3.97Å; L515-F586 HydrophobicContact CD2-CE1 4.36Å; I553-F586 HydrophobicContact CD1-CD2 4.48Å; I553-F586 HydrophobicContact CG2-CD2 3.46Å; I553-F586 VanDerWaalsContact CG2-CD2 3.46Å; I553-F586 HydrophobicContact CG2-CE2 3.56Å; V555-F586 HydrophobicContact CB-CE2 4.14Å; V555-F586 HydrophobicContact CB-CZ 4.43Å; V555-F586 HydrophobicContact CG1-CE2 4.14Å; V555-F586 HydrophobicContact CG1-CZ 4.33Å; I572-F586 HydrophobicContact CD1-CE1 3.66Å; I572-F586 HydrophobicContact CD1-CZ 3.68Å; I572-F586 HydrophobicContact CG1-CE1 4.4Å; I572-F586 HydrophobicContact CG1-CZ 3.94Å; I572-F586 HydrophobicContact CG2-CZ 4.37Å; M582-F586 WeakPolarHBondContact O-CB 3.38Å; M582-F586 PolarHBondContact O-N 2.96Å; M583-F586 PolarHBondContact O-N 3.05Å; N584-F586 VanDerWaalsContact C-N 3.3Å; N584-F586 PolarHBondContact O-N 2.99Å; F586-L590 HydrophobicContact CD1-CB 4.45Å; F586-L590 HydrophobicContact CD1-CD2 4.4Å; F586-L590 HydrophobicContact CE1-CB 4.28Å; F586-L590 HydrophobicContact CE1-CD2 3.6Å; F586-L590 HydrophobicContact CZ-CD2 4.19Å; F586-L590 WeakPolarHBondContact O-CB 3.4Å; F586-L590 PolarHBondContact O-N 2.79Å
587L97.7Very high96.8Very high22 Ų2246.8 Ų46.812%0.11523%0.228CC..Hα-helixtrans-61.8-49.8-177.5176.867.7000111.6M514 L515 A518 L520 M583 N584 N589 L590 L591M514-L587 HydrophobicContact CB-CD2 4.17Å; M514-L587 HydrophobicContact CE-CB 4.4Å; M514-L587 HydrophobicContact CE-CD2 4Å; L515-L587 HydrophobicContact CD2-CD1 3.83Å; A518-L587 HydrophobicContact CB-CD1 3.85Å; A518-L587 HydrophobicContact CB-CD2 4.39Å; L520-L587 HydrophobicContact CD1-CD1 3.9Å; M583-L587 WeakPolarHBondContact O-CB 3.31Å; M583-L587 PolarHBondContact O-N 3.45Å; N584-L587 PolarHBondContact O-N 3.37Å; L587-N589 VanDerWaalsContact C-N 3.35Å; L587-N589 PolarHBondContact O-N 2.88Å; L587-L590 PolarHBondContact O-N 3.12Å; L587-L591 HydrophobicContact CD1-CD1 4.15Å; L587-L591 HydrophobicContact CD1-CG 4.22Å; L587-L591 HydrophobicContact CG-CD1 4.05Å; L587-L591 HydrophobicContact CG-CG 4.49Å; L587-L591 VanDerWaalsContact O-CG 3.31Å; L587-L591 WeakPolarHBondContact O-CG 3.25Å; L587-L591 PolarHBondContact O-N 3.46Å
588E97.3Very high96.6Very high123 Ų12346.6 Ų46.658%0.57524%0.24SC*.Hα-helixtrans-57.6-48.3-178.5-73.8175.417900111.1N584 L591 V592N584-E588 WeakPolarHBondContact O-CB 3.46Å; N584-E588 WeakPolarHBondContact O-CG 3.14Å; N584-E588 PolarHBondContact O-N 2.92Å; E588-L591 PolarHBondContact O-N 3.13Å; E588-V592 WeakPolarHBondContact O-CG2 3.08Å; E588-V592 PolarHBondContact O-N 2.79Å; E588-V592 VanDerWaalsContact O-N 3.12Å
589N98.1Very high96.5Very high23 Ų2347.8 Ų47.812%0.12325%0.246CC..Hα-helixtrans-71.2-36.6179.7-67.8-71.6000112.1L547 H551 I553 Y585 L587 L591 V592 T593L547-N589 HydrophobicContact CD2-CB 4.26Å; H551-N589 HydrophobicContact CB-CB 4.03Å; H551-N589 PolarHBondContact CE1-OD1 3.46Å; H551-N589 PolarHBondContact ND1-OD1 3.43Å; I553-N589 HydrophobicContact CD1-CB 3.88Å; Y585-N589 WeakPolarHBondContact CD2-ND2 3.47Å; Y585-N589 WeakPolarHBondContact CE1-ND2 3.07Å; Y585-N589 WeakPolarHBondContact CE2-ND2 3.36Å; Y585-N589 VanDerWaalsContact CZ-ND2 3.25Å; Y585-N589 PolarHBondContact O-N 3.34Å; Y585-N589 PolarHBondContact O-ND2 2.87Å; L587-N589 VanDerWaalsContact C-N 3.35Å; L587-N589 PolarHBondContact O-N 2.88Å; N589-L591 VanDerWaalsContact C-N 3.33Å; N589-L591 PolarHBondContact O-N 3.39Å; N589-V592 PolarHBondContact O-N 3.41Å; N589-T593 PolarHBondContact O-N 2.93Å; N589-T593 PolarHBondContact O-OG1 3.47Å; N589-T593 VanDerWaalsContact O-OG1 3.08Å
590L98.1Very high96.2Very high0 Ų051.8 Ų51.80%026%0.261CS..Hα-helixtrans-58.9-44.7172.917661.4000111.1L515 L520 V543 L547 L570 F586 L587 V592 T593 W594L515-L590 HydrophobicContact CD2-CD2 3.86Å; L520-L590 HydrophobicContact CD1-CD2 3.62Å; L520-L590 HydrophobicContact CD1-CG 4.14Å; L520-L590 HydrophobicContact CD2-CD2 4.47Å; L520-L590 HydrophobicContact CD2-CG 4.47Å; V543-L590 HydrophobicContact CG1-CD1 4.01Å; L547-L590 HydrophobicContact CD1-CD1 3.88Å; L570-L590 HydrophobicContact CD1-CD1 3.87Å; F586-L590 HydrophobicContact CD1-CB 4.45Å; F586-L590 HydrophobicContact CD1-CD2 4.4Å; F586-L590 HydrophobicContact CE1-CB 4.28Å; F586-L590 HydrophobicContact CE1-CD2 3.6Å; F586-L590 HydrophobicContact CZ-CD2 4.19Å; F586-L590 WeakPolarHBondContact O-CB 3.4Å; F586-L590 PolarHBondContact O-N 2.79Å; L587-L590 PolarHBondContact O-N 3.12Å; L590-V592 PolarHBondContact O-N 2.93Å; L590-T593 PolarHBondContact O-N 3.3Å; L590-W594 HydrophobicContact CD1-CE3 4.13Å; L590-W594 WeakPolarHBondContact O-CB 3.05Å; L590-W594 PolarHBondContact O-N 3.49Å
591L97.2Very high96.1Very high38 Ų3854 Ų5420%0.19927%0.271CS..Hα-helixtrans-64.6-39.5178.4-69.3170.5000112.6A518 L520 L587 E588 N589 K595 L601A518-L591 HydrophobicContact CB-CD1 3.91Å; A518-L591 HydrophobicContact CB-CD2 3.98Å; A518-L591 HydrophobicContact CB-CG 4.44Å; L520-L591 HydrophobicContact CD1-CD2 3.99Å; L520-L591 HydrophobicContact CD2-CD2 4.21Å; L520-L591 HydrophobicContact CG-CD2 3.89Å; L587-L591 HydrophobicContact CD1-CD1 4.15Å; L587-L591 HydrophobicContact CD1-CG 4.22Å; L587-L591 HydrophobicContact CG-CD1 4.05Å; L587-L591 HydrophobicContact CG-CG 4.49Å; L587-L591 VanDerWaalsContact O-CG 3.31Å; L587-L591 WeakPolarHBondContact O-CG 3.25Å; L587-L591 PolarHBondContact O-N 3.46Å; E588-L591 PolarHBondContact O-N 3.13Å; N589-L591 VanDerWaalsContact C-N 3.33Å; N589-L591 PolarHBondContact O-N 3.39Å; L591-K595 WeakPolarHBondContact O-CG 3.4Å; L591-K595 PolarHBondContact O-N 3.44Å; L591-K595 VanDerWaalsContact O-N 3.13Å; L591-L601 HydrophobicContact CD2-CD1 4.17Å; L591-L601 HydrophobicContact CD2-CD2 3.86Å
592V96.8Very high95.3Very high66 Ų6654.1 Ų54.140%0.427%0.27SS..Hα-helixtrans-62-51.9175.3170.80000110.2E588 N589 L590 W594 K595 Q596E588-V592 WeakPolarHBondContact O-CG2 3.08Å; E588-V592 PolarHBondContact O-N 2.79Å; E588-V592 VanDerWaalsContact O-N 3.12Å; N589-V592 PolarHBondContact O-N 3.41Å; L590-V592 PolarHBondContact O-N 2.93Å; V592-W594 PolarHBondContact O-N 3.16Å; V592-K595 PolarHBondContact O-N 3.11Å; V592-Q596 VanDerWaalsContact O-CG 3.29Å; V592-Q596 WeakPolarHBondContact O-CG 3.32Å; V592-Q596 PolarHBondContact O-N 3.08Å
593T97.4Very high94Very high0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-62.3-42.2178.4-55.90000111.7V543 E546 L547 N589 L590 K595 Q596 V597V543-T593 HydrophobicContact CB-CG2 4.32Å; V543-T593 HydrophobicContact CG1-CG2 4.05Å; V543-T593 HydrophobicContact CG2-CG2 4.37Å; E546-T593 HydrophobicContact CB-CG2 3.53Å; E546-T593 HydrophobicContact CG-CG2 4.44Å; L547-T593 HydrophobicContact CG-CG2 4.38Å; N589-T593 PolarHBondContact O-N 2.93Å; N589-T593 PolarHBondContact O-OG1 3.47Å; N589-T593 VanDerWaalsContact O-OG1 3.08Å; L590-T593 PolarHBondContact O-N 3.3Å; T593-K595 VanDerWaalsContact C-N 3.34Å; T593-K595 PolarHBondContact O-N 3.4Å; T593-Q596 PolarHBondContact O-N 2.88Å; T593-Q596 VanDerWaalsContact O-N 3.16Å; T593-V597 HydrophobicContact CG2-CG2 4.25Å; T593-V597 WeakPolarHBondContact O-CG2 3.49Å; T593-V597 PolarHBondContact O-N 2.91Å
594W96.8Very high92.5Very high4 Ų460.9 Ų60.92%0.01531%0.311CS..Hα-helixtrans-56.8-46.5179.3-164.8-89.8000111.9L520 P521 V532 R533 V534 L570 L590 V592 G598 L599 E600 L601L520-W594 HydrophobicContact CD2-CB 4.48Å; L520-W594 HydrophobicContact CD2-CD2 3.59Å; L520-W594 HydrophobicContact CD2-CE3 3.84Å; L520-W594 HydrophobicContact CD2-CG 3.89Å; L520-W594 HydrophobicContact CD2-CZ2 4.41Å; L520-W594 HydrophobicContact CD2-CZ3 4.33Å; P521-W594 HydrophobicContact CG-CH2 3.86Å; P521-W594 HydrophobicContact CG-CZ2 3.52Å; V532-W594 HydrophobicContact CG1-CH2 3.84Å; V532-W594 HydrophobicContact CG1-CZ3 3.94Å; R533-W594 WeakPolarHBondContact O-CH2 3.33Å; V534-W594 HydrophobicContact CG2-CH2 3.75Å; V534-W594 HydrophobicContact CG2-CZ3 3.81Å; L570-W594 HydrophobicContact CD1-CZ3 4.27Å; L590-W594 HydrophobicContact CD1-CE3 4.13Å; L590-W594 WeakPolarHBondContact O-CB 3.05Å; L590-W594 PolarHBondContact O-N 3.49Å; V592-W594 PolarHBondContact O-N 3.16Å; W594-G598 PolarHBondContact O-N 2.9Å; W594-L599 VanDerWaalsContact CD1-CB 3.5Å; W594-L599 VanDerWaalsContact CD1-O 3.27Å; W594-L599 HydrophobicContact CD2-CB 3.87Å; W594-L599 HydrophobicContact CD2-CD1 3.76Å; W594-L599 HydrophobicContact CD2-CG 4.49Å; W594-L599 VanDerWaalsContact CE2-CB 3.46Å; W594-L599 HydrophobicContact CE3-CD1 3.83Å; W594-L599 HydrophobicContact CG-CB 3.89Å; W594-L599 HydrophobicContact CG-CD1 4.36Å; W594-L599 HydrophobicContact CH2-CD1 4.01Å; W594-L599 HydrophobicContact CZ2-CB 4.03Å; W594-L599 HydrophobicContact CZ2-CD1 3.93Å; W594-L599 HydrophobicContact CZ2-CG 4.5Å; W594-L599 HydrophobicContact CZ3-CD1 3.97Å; W594-L599 WeakPolarHBondContact O-CB 3.49Å; W594-L599 PolarHBondContact O-N 3.48Å; W594-E600 PolarHBondContact NE1-O 2.77Å; W594-L601 HydrophobicContact CG-CD2 4.44Å
595K95.4Very high90.6Very high138 Ų13864.7 Ų64.760%0.634%0.342SS*.Hα-helixtrans-68.3-39.6176.4-70.2178.2-178.6-177.60112.3L591 V592 T593 V597 G598L591-K595 WeakPolarHBondContact O-CG 3.4Å; L591-K595 PolarHBondContact O-N 3.44Å; L591-K595 VanDerWaalsContact O-N 3.13Å; V592-K595 PolarHBondContact O-N 3.11Å; T593-K595 VanDerWaalsContact C-N 3.34Å; T593-K595 PolarHBondContact O-N 3.4Å; K595-V597 VanDerWaalsContact C-N 3.35Å; K595-V597 PolarHBondContact O-N 3.27Å; K595-G598 PolarHBondContact O-N 3.45Å
596Q95.2Very high89Confident110 Ų11062 Ų6251%0.51434%0.338SS..Hα-helixtrans-63.2-39179.1-76.3175.6-1.400112.7V592 T593 G598V592-Q596 VanDerWaalsContact O-CG 3.29Å; V592-Q596 WeakPolarHBondContact O-CG 3.32Å; V592-Q596 PolarHBondContact O-N 3.08Å; T593-Q596 PolarHBondContact O-N 2.88Å; T593-Q596 VanDerWaalsContact O-N 3.16Å; Q596-G598 PolarHBondContact O-N 3.24Å
597V94.8Very high87.5Confident13 Ų1364.3 Ų64.38%0.07936%0.357CS..THydrogen-bonded Turntrans-75.9-0.7175.7178.70000112K539 E542 V543 T593 K595 L599K539-V597 HydrophobicContact CB-CG1 3.88Å; K539-V597 HydrophobicContact CD-CG1 4.27Å; K539-V597 HydrophobicContact CG-CG1 3.97Å; E542-V597 HydrophobicContact CB-CG1 4.36Å; E542-V597 HydrophobicContact CB-CG2 4.43Å; E542-V597 HydrophobicContact CG-CG1 4.33Å; E542-V597 HydrophobicContact CG-CG2 3.85Å; E542-V597 WeakPolarHBondContact OE2-CG1 3.49Å; V543-V597 HydrophobicContact CG2-CB 4.11Å; V543-V597 HydrophobicContact CG2-CG1 4.12Å; V543-V597 HydrophobicContact CG2-CG2 3.94Å; T593-V597 HydrophobicContact CG2-CG2 4.25Å; T593-V597 WeakPolarHBondContact O-CG2 3.49Å; T593-V597 PolarHBondContact O-N 2.91Å; K595-V597 VanDerWaalsContact C-N 3.35Å; K595-V597 PolarHBondContact O-N 3.27Å; V597-L599 HydrophobicContact CG1-CD1 4.41Å; V597-L599 HydrophobicContact CG1-CG 4.35Å
598G94.6Very high86.3Confident49 Ų4967.2 Ų67.251%0.50537%0.37SS..THydrogen-bonded Turntrans69.138.2178.400000112.8K539 W594 K595 Q596K539-G598 PolarHBondContact NZ-O 3.13Å; W594-G598 PolarHBondContact O-N 2.9Å; K595-G598 PolarHBondContact O-N 3.45Å; Q596-G598 PolarHBondContact O-N 3.24Å
599L94.6Very high85Confident25 Ų2561.4 Ų61.413%0.13134%0.343CS..PPolyproline II helixtrans-96.1141.9170.5-64.7169.9000110.2V534 K539 V543 W594 V597V534-L599 HydrophobicContact CG1-CD1 3.95Å; V534-L599 HydrophobicContact CG1-CD2 4.21Å; K539-L599 HydrophobicContact CB-CD2 4.31Å; K539-L599 HydrophobicContact CD-CD2 3.53Å; K539-L599 HydrophobicContact CD-CG 4.22Å; V543-L599 HydrophobicContact CG2-CD1 3.81Å; W594-L599 VanDerWaalsContact CD1-CB 3.5Å; W594-L599 VanDerWaalsContact CD1-O 3.27Å; W594-L599 HydrophobicContact CD2-CB 3.87Å; W594-L599 HydrophobicContact CD2-CD1 3.76Å; W594-L599 HydrophobicContact CD2-CG 4.49Å; W594-L599 VanDerWaalsContact CE2-CB 3.46Å; W594-L599 HydrophobicContact CE3-CD1 3.83Å; W594-L599 HydrophobicContact CG-CB 3.89Å; W594-L599 HydrophobicContact CG-CD1 4.36Å; W594-L599 HydrophobicContact CH2-CD1 4.01Å; W594-L599 HydrophobicContact CZ2-CB 4.03Å; W594-L599 HydrophobicContact CZ2-CD1 3.93Å; W594-L599 HydrophobicContact CZ2-CG 4.5Å; W594-L599 HydrophobicContact CZ3-CD1 3.97Å; W594-L599 WeakPolarHBondContact O-CB 3.49Å; W594-L599 PolarHBondContact O-N 3.48Å; V597-L599 HydrophobicContact CG1-CD1 4.41Å; V597-L599 HydrophobicContact CG1-CG 4.35Å
600E91.1Very high84.1Confident142 Ų14263 Ų6366%0.66435%0.351SS*.PPolyproline II helixtrans-85.5149.2-178.6-65.5178.4172.600112W594W594-E600 PolarHBondContact NE1-O 2.77Å
601L90.4Very high83Confident61 Ų6166.3 Ų66.332%0.31937%0.366SS..PPolyproline II helixtrans-93.7135.8167.6-62.4173.4000108.7G519 L520 L591 W594G519-L601 CarbonylContact O-C 3.54Å; G519-L601 VanDerWaalsContact O-CA 3.32Å; G519-L601 WeakPolarHBondContact O-CA 3.48Å; G519-L601 WeakPolarHBondContact O-CB 3.36Å; L520-L601 HydrophobicContact CD2-CD2 3.79Å; L520-L601 HydrophobicContact CG-CD2 4.03Å; L591-L601 HydrophobicContact CD2-CD1 4.17Å; L591-L601 HydrophobicContact CD2-CD2 3.86Å; W594-L601 HydrophobicContact CG-CD2 4.44Å
602K79.9Confident81.5Confident128 Ų12866.1 Ų66.156%0.55737%0.367SS*.  trans-128116.8-179.4-67.2-175.1-179.1-179.60108.8G519G519-K602 CarbonylContact C-O 3.58Å; G519-K602 CarbonylContact O-C 3.44Å; G519-K602 PolarHBondContact O-N 3.18Å; G519-K602 VanDerWaalsContact O-O 3.12Å
603P68.9Low80.2Confident118 Ų11870.7 Ų70.777%0.76638%0.377SS*.  trans-59.8140.4175.7-19.430000111.6
604H66.6Low78.7Confident66 Ų6676.3 Ų76.331%0.30640%0.398SS..  trans-77.3137.8176.7-77.251.9000111.5M516 L520 V522M516-H604 HydrophobicContact CE-CB 4.15Å; L520-H604 PolarHBondContact O-CE1 3.27Å; V522-H604 PolarHBondContact N-CE1 3.42Å; V522-H604 PolarHBondContact N-NE2 2.91Å; V522-H604 PolarHBondContact O-NE2 2.87Å
605S56.7Low76.9Confident128 Ų12880.1 Ų80.190%0.89542%0.424SS*.  trans-120.6-1.5179.360.40000115.1
606S64.1Low75.2Confident49 Ų4974.1 Ų74.134%0.34340%0.398SS..  trans-115.3128.1-172.4179.70000113.4H524 E608H524-S606 PolarHBondContact CE1-O 2.76Å; H524-S606 PolarHBondContact ND1-O 3.36Å; S606-E608 PolarHBondContact OG-N 2.92Å; S606-E608 PolarHBondContact OG-O 3.08Å
607A65.7Low73.3Confident47 Ų4776.9 Ų76.939%0.38841%0.411SS..  trans-85.4-4.7173.100000114L616 E619A607-L616 PolarHBondContact O-N 3.12Å; A607-E619 WeakPolarHBondContact CA-OE1 3.45Å; A607-E619 WeakPolarHBondContact CB-OE1 3.42Å
608E73.1Confident71.2Confident84 Ų8478 Ų7839%0.39342%0.415SS..BIsolated β-bridgetrans-108.7155.2-174.4-67177.7-178.400112.9H524 S606H524-E608 PolarHBondContact ND1-O 3.42Å; H524-E608 VanDerWaalsContact ND1-O 3.15Å; S606-E608 PolarHBondContact OG-N 2.92Å; S606-E608 PolarHBondContact OG-O 3.08Å
609C70.4Confident68.8Low0 Ų081.5 Ų81.50%042%0.418CS..  trans-62133.3171.2179.10000111.1F611 R613 R614 L616C609-F611 PolarHBondContact O-N 2.65Å; C609-F611 VanDerWaalsContact O-N 3.15Å; C609-R613 WeakPolarHBondContact O-CA 3.48Å; C609-R613 PolarHBondContact O-N 3.03Å; C609-R613 VanDerWaalsContact O-N 3.11Å; C609-R614 PolarHBondContact N-O 3.48Å; C609-L616 HydrophobicContact CB-CD1 4.07Å; C609-L616 HydrophobicContact CB-CD2 3.97Å; C609-L616 HydrophobicContact CB-CG 3.99Å
610N78.2Confident66.5Low57 Ų5785.5 Ų85.531%0.30544%0.443SS..THydrogen-bonded Turntrans-63.7-22.8-178.4-71.95000113.6H524H524-N610 WeakPolarHBondContact CB-OD1 3.42Å; H524-N610 PolarHBondContact N-ND2 3.33Å; H524-N610 PolarHBondContact O-N 3.15Å
611F74.7Confident64.7Low69 Ų6980.1 Ų80.130%0.30342%0.419SS..THydrogen-bonded Turntrans-103.4-52.4-172.4-61.9-80.3000113.2H358 D388 A390 V523 C609H358-F611 AromaticContact CD2-CD1 3.89Å; D388-F611 HydrophobicContact CB-CE1 4.06Å; D388-F611 HydrophobicContact CB-CE2 3.64Å; D388-F611 HydrophobicContact CB-CZ 3.35Å; A390-F611 HydrophobicContact CB-CB 4.05Å; A390-F611 HydrophobicContact CB-CD2 3.82Å; A390-F611 HydrophobicContact CB-CG 3.91Å; V523-F611 HydrophobicContact CG1-CE2 3.62Å; V523-F611 HydrophobicContact CG1-CZ 4.09Å; C609-F611 PolarHBondContact O-N 2.65Å; C609-F611 VanDerWaalsContact O-N 3.15Å
612C65.7Low63.1Low34 Ų3479.8 Ų79.823%0.2342%0.421CS..THydrogen-bonded Turntrans-99.6-0.2-175.864.20000114R614C612-R614 HydrophobicContact CB-CG 4.32Å; C612-R614 PolarHBondContact O-N 3.02Å
613R70.8Confident62Low163 Ų16381.9 Ų81.962%0.61543%0.433SS*.  trans54.215.5-177.3-54.7-62.5-178.5174.9-1114.7C609C609-R613 WeakPolarHBondContact O-CA 3.48Å; C609-R613 PolarHBondContact O-N 3.03Å; C609-R613 VanDerWaalsContact O-N 3.11Å
614R65.7Low61.3Low117 Ų11786.7 Ų86.744%0.44244%0.436SS..  trans-77.2144.2174.3-65-174.4-177.4-170.7-2.5109.7E396 C609 C612 L616E396-R614 IonicContact OE1-CZ 3.65Å; E396-R614 IonicContact OE1-NH1 3.21Å; E396-R614 IonicContact OE1-NH2 2.74Å; E396-R614 PolarHBondContact OE1-NH2 3.1Å; E396-R614 IonicContact OE2-NH2 2.6Å; C609-R614 PolarHBondContact N-O 3.48Å; C612-R614 HydrophobicContact CB-CG 4.32Å; C612-R614 PolarHBondContact O-N 3.02Å; R614-L616 PolarHBondContact O-N 3.25Å
615P58Low60.9Low85 Ų8586 Ų8655%0.55243%0.433SS*.BIsolated β-bridgetrans-55.6135.4170.6-22.432.3000110.2H617P615-H617 PolarHBondContact O-N 3.36Å
616L60.2Low61Low12 Ų1285.7 Ų85.76%0.06342%0.415CS..  trans-89.1109.7174.5-73.3176.5000109H524 P526 A607 C609 R614 F618H524-L616 HydrophobicContact CB-CD1 4.13Å; H524-L616 WeakPolarHBondContact CD2-CD1 3.45Å; H524-L616 WeakPolarHBondContact NE2-CD1 3.23Å; P526-L616 HydrophobicContact CB-CD2 3.59Å; P526-L616 HydrophobicContact CG-CD2 4.13Å; A607-L616 PolarHBondContact O-N 3.12Å; C609-L616 HydrophobicContact CB-CD1 4.07Å; C609-L616 HydrophobicContact CB-CD2 3.97Å; C609-L616 HydrophobicContact CB-CG 3.99Å; R614-L616 PolarHBondContact O-N 3.25Å; L616-F618 HydrophobicContact CB-CD2 3.75Å; L616-F618 HydrophobicContact CB-CE2 4.27Å; L616-F618 HydrophobicContact CD1-CD2 4.38Å; L616-F618 HydrophobicContact CD1-CE2 4.38Å; L616-F618 HydrophobicContact CD2-CD2 4.23Å; L616-F618 HydrophobicContact CD2-CE2 3.87Å; L616-F618 HydrophobicContact CG-CD2 4.34Å; L616-F618 HydrophobicContact CG-CE2 4.41Å; L616-F618 PolarHBondContact O-N 3.5Å
617H54.3Low60.8Low168 Ų16887.8 Ų87.878%0.77843%0.43SS*.THydrogen-bonded Turntrans-70.835.3176-71.3-73.6000113.1P615P615-H617 PolarHBondContact O-N 3.36Å
618F52.4Low60.2Low36 Ų3690.9 Ų90.916%0.15843%0.432CS..THydrogen-bonded Turntrans-90.7-23.7171.7-61.9-56.4000112.6K509 C525 P526 L616 V620K509-F618 WeakPolarHBondContact CE-O 3.39Å; K509-F618 HydrophobicContact CG-CD1 4.33Å; C525-F618 WeakPolarHBondContact O-CE2 3.21Å; P526-F618 HydrophobicContact CB-CE2 4.48Å; P526-F618 HydrophobicContact CB-CZ 4.43Å; P526-F618 WeakPolarHBondContact O-CZ 3.46Å; L616-F618 HydrophobicContact CB-CD2 3.75Å; L616-F618 HydrophobicContact CB-CE2 4.27Å; L616-F618 HydrophobicContact CD1-CD2 4.38Å; L616-F618 HydrophobicContact CD1-CE2 4.38Å; L616-F618 HydrophobicContact CD2-CD2 4.23Å; L616-F618 HydrophobicContact CD2-CE2 3.87Å; L616-F618 HydrophobicContact CG-CD2 4.34Å; L616-F618 HydrophobicContact CG-CE2 4.41Å; L616-F618 PolarHBondContact O-N 3.5Å; F618-V620 PolarHBondContact O-N 2.9Å
619E44Very low59.4Low122 Ų12287.1 Ų87.157%0.5742%0.415SS*.SBendtrans-66.3-25.9-173.3-62.9-177.5169.700112.8A607 M621A607-E619 WeakPolarHBondContact CA-OE1 3.45Å; A607-E619 WeakPolarHBondContact CB-OE1 3.42Å; E619-M621 PolarHBondContact O-N 2.95Å
620V45.3Very low58.4Low110 Ų11091.7 Ų91.767%0.66745%0.447SS*.  trans-93.284.3175.3-167.20000109K509 F618 S622K509-V620 PolarHBondContact NZ-O 3.24Å; F618-V620 PolarHBondContact O-N 2.9Å; V620-S622 PolarHBondContact O-N 3.33Å
621M54.6Low57.4Low29 Ų2992.4 Ų92.414%0.14347%0.468CS..  trans-64124.8155.7-77.5-171164.400108.6K509 E619 E625 K626 F629K509-M621 HydrophobicContact CD-CE 4.15Å; K509-M621 HydrophobicContact CD-CG 4.1Å; K509-M621 VanDerWaalsContact CE-CG 3.44Å; K509-M621 HydrophobicContact CG-CE 3.95Å; E619-M621 PolarHBondContact O-N 2.95Å; M621-E625 VanDerWaalsContact CA-OE2 3.29Å; M621-E625 WeakPolarHBondContact CA-OE2 3.47Å; M621-E625 HydrophobicContact CB-CB 4.05Å; M621-E625 HydrophobicContact CG-CB 4.37Å; M621-K626 HydrophobicContact CB-CD 4.46Å; M621-K626 HydrophobicContact CB-CG 3.61Å; M621-K626 WeakPolarHBondContact O-CE 3.29Å; M621-F629 HydrophobicContact CE-CD2 3.5Å; M621-F629 HydrophobicContact CE-CE2 3.33Å; M621-F629 HydrophobicContact CE-CG 4.41Å; M621-F629 HydrophobicContact CE-CZ 4.1Å; M621-F629 HydrophobicContact SD-CD2 3.48Å; M621-F629 WeakPolarHBondContact SD-CD2 3.38Å; M621-F629 HydrophobicContact SD-CE2 3.81Å; M621-F629 HydrophobicContact SD-CG 4.49Å
622S56.1Low56.2Low54 Ų5491.2 Ų91.238%0.37846%0.464SS..  trans-58.5154.4173.167.20000109.9V620 R624 E625 K626V620-S622 PolarHBondContact O-N 3.33Å; S622-R624 PolarHBondContact O-N 2.93Å; S622-R624 VanDerWaalsContact O-N 3.1Å; S622-E625 PolarHBondContact N-OE2 3.47Å; S622-E625 CarbonylContact O-C 3.6Å; S622-E625 WeakPolarHBondContact O-CA 3.47Å; S622-E625 WeakPolarHBondContact O-CB 3.4Å; S622-E625 PolarHBondContact O-N 2.8Å; S622-E625 VanDerWaalsContact OG-CG 3.32Å; S622-E625 WeakPolarHBondContact OG-CG 3.36Å; S622-E625 PolarHBondContact OG-N 3.37Å; S622-K626 PolarHBondContact O-N 3.02Å
623E56.8Low55.1Low171 Ų17192.1 Ų92.180%0.79947%0.471SS*.Hα-helixtrans-54.8-33.4177.4-70.9-169.3155.400112.4K626 S627E623-K626 PolarHBondContact O-N 3.34Å; E623-S627 VanDerWaalsContact O-CB 3.26Å; E623-S627 WeakPolarHBondContact O-CB 3.45Å; E623-S627 PolarHBondContact O-N 2.91Å
624R54.3Low53.7Low219 Ų21993 Ų9383%0.82648%0.479SS*.Hα-helixtrans-65.5-39173.6-171179.6-177.4-177.53.4112.8S622 Y628S622-R624 PolarHBondContact O-N 2.93Å; S622-R624 VanDerWaalsContact O-N 3.1Å; R624-Y628 WeakPolarHBondContact O-CB 3.41Å; R624-Y628 PolarHBondContact O-N 3.16Å; R624-Y628 VanDerWaalsContact O-N 3.14Å
625E58.5Low52.2Low52 Ų5294.6 Ų94.624%0.24350%0.496CS..Hα-helixtrans-67.9-48.1172.7-73.8173.4162.600110.4K509 M621 S622 S627 Y628 F629K509-E625 IonicContact NZ-OE2 3.45Å; K509-E625 PolarHBondContact NZ-OE2 3.4Å; M621-E625 VanDerWaalsContact CA-OE2 3.29Å; M621-E625 WeakPolarHBondContact CA-OE2 3.47Å; M621-E625 HydrophobicContact CB-CB 4.05Å; M621-E625 HydrophobicContact CG-CB 4.37Å; S622-E625 PolarHBondContact N-OE2 3.47Å; S622-E625 CarbonylContact O-C 3.6Å; S622-E625 WeakPolarHBondContact O-CA 3.47Å; S622-E625 WeakPolarHBondContact O-CB 3.4Å; S622-E625 PolarHBondContact O-N 2.8Å; S622-E625 VanDerWaalsContact OG-CG 3.32Å; S622-E625 WeakPolarHBondContact OG-CG 3.36Å; S622-E625 PolarHBondContact OG-N 3.37Å; E625-S627 VanDerWaalsContact C-N 3.33Å; E625-S627 PolarHBondContact O-N 3.48Å; E625-Y628 WeakPolarHBondContact O-CA 3.38Å; E625-Y628 WeakPolarHBondContact O-CB 3.49Å; E625-Y628 PolarHBondContact O-N 3.02Å; E625-F629 HydrophobicContact CB-CD2 4.22Å; E625-F629 HydrophobicContact CB-CE2 4Å; E625-F629 WeakPolarHBondContact O-CD2 3.34Å; E625-F629 WeakPolarHBondContact O-CG 3.33Å; E625-F629 PolarHBondContact O-N 2.93Å
626K58.2Low51Low121 Ų12195.8 Ų95.853%0.52650%0.501SS..Hα-helixtrans-57.3-44.6177.2-68.2180175.7174.60112M621 S622 E623 Y628 F629 S630M621-K626 HydrophobicContact CB-CD 4.46Å; M621-K626 HydrophobicContact CB-CG 3.61Å; M621-K626 WeakPolarHBondContact O-CE 3.29Å; S622-K626 PolarHBondContact O-N 3.02Å; E623-K626 PolarHBondContact O-N 3.34Å; K626-Y628 VanDerWaalsContact C-N 3.34Å; K626-Y628 PolarHBondContact O-N 3.35Å; K626-F629 CarbonylContact O-C 3.56Å; K626-F629 PolarHBondContact O-N 3.27Å; K626-S630 PolarHBondContact O-N 3.05Å
627S59.6Low49.5Very low93 Ų9399 Ų9965%0.6552%0.524SS*.Hα-helixtrans-61.3-41175173.40000112E623 E625 F629 S630E623-S627 VanDerWaalsContact O-CB 3.26Å; E623-S627 WeakPolarHBondContact O-CB 3.45Å; E623-S627 PolarHBondContact O-N 2.91Å; E625-S627 VanDerWaalsContact C-N 3.33Å; E625-S627 PolarHBondContact O-N 3.48Å; S627-F629 VanDerWaalsContact C-N 3.28Å; S627-F629 PolarHBondContact O-N 3.48Å; S627-S630 WeakPolarHBondContact O-CB 2.84Å; S627-S630 PolarHBondContact O-N 2.97Å
628Y53.1Low48.2Very low112 Ų11295.7 Ų95.744%0.43953%0.527SS..Hα-helixtrans-65-31.8175.5-176.3-90.3000112.9R506 R624 E625 K626R506-Y628 VanDerWaalsContact NH1-CD1 3.31Å; R506-Y628 VanDerWaalsContact NH1-CG 3.32Å; R506-Y628 PolarHBondContact NH2-OH 2.82Å; R624-Y628 WeakPolarHBondContact O-CB 3.41Å; R624-Y628 PolarHBondContact O-N 3.16Å; R624-Y628 VanDerWaalsContact O-N 3.14Å; E625-Y628 WeakPolarHBondContact O-CA 3.38Å; E625-Y628 WeakPolarHBondContact O-CB 3.49Å; E625-Y628 PolarHBondContact O-N 3.02Å; K626-Y628 VanDerWaalsContact C-N 3.34Å; K626-Y628 PolarHBondContact O-N 3.35Å
629F56.9Low46.9Very low5 Ų5102 Ų1022%0.02256%0.556CS.*Hα-helixtrans-96.8-0.7-179.4-59.1-56.7000114.4R506 L510 M621 E625 K626 S627 G631 L632R506-F629 HydrophobicContact CG-CE1 4.07Å; R506-F629 HydrophobicContact CG-CE2 3.97Å; R506-F629 HydrophobicContact CG-CZ 3.25Å; L510-F629 HydrophobicContact CB-CD1 4.33Å; L510-F629 HydrophobicContact CB-CE1 3.69Å; L510-F629 HydrophobicContact CB-CZ 3.82Å; L510-F629 HydrophobicContact CD1-CD1 3.79Å; L510-F629 HydrophobicContact CD1-CE1 4.04Å; L510-F629 HydrophobicContact CD1-CG 4.17Å; L510-F629 HydrophobicContact CD2-CD1 3.74Å; L510-F629 HydrophobicContact CD2-CE1 3.54Å; L510-F629 HydrophobicContact CG-CD1 4.15Å; L510-F629 HydrophobicContact CG-CE1 3.93Å; M621-F629 HydrophobicContact CE-CD2 3.5Å; M621-F629 HydrophobicContact CE-CE2 3.33Å; M621-F629 HydrophobicContact CE-CG 4.41Å; M621-F629 HydrophobicContact CE-CZ 4.1Å; M621-F629 HydrophobicContact SD-CD2 3.48Å; M621-F629 WeakPolarHBondContact SD-CD2 3.38Å; M621-F629 HydrophobicContact SD-CE2 3.81Å; M621-F629 HydrophobicContact SD-CG 4.49Å; E625-F629 HydrophobicContact CB-CD2 4.22Å; E625-F629 HydrophobicContact CB-CE2 4Å; E625-F629 WeakPolarHBondContact O-CD2 3.34Å; E625-F629 WeakPolarHBondContact O-CG 3.33Å; E625-F629 PolarHBondContact O-N 2.93Å; K626-F629 CarbonylContact O-C 3.56Å; K626-F629 PolarHBondContact O-N 3.27Å; S627-F629 VanDerWaalsContact C-N 3.28Å; S627-F629 PolarHBondContact O-N 3.48Å; F629-G631 PolarHBondContact O-N 3.22Å; F629-L632 WeakPolarHBondContact O-CB 3.5Å; F629-L632 PolarHBondContact O-N 2.99Å
630S48.5Very low46.3Very low97 Ų97104.9 Ų104.968%0.67860%0.601SS**THydrogen-bonded Turntrans-58.6120.9-179.1179.10000110.6K626 S627K626-S630 PolarHBondContact O-N 3.05Å; S627-S630 WeakPolarHBondContact O-CB 2.84Å; S627-S630 PolarHBondContact O-N 2.97Å
631G56.8Low46.4Very low72 Ų72104.6 Ų104.674%0.74260%0.598SS**THydrogen-bonded Turntrans88.1-4.1-177.400000115.6F629F629-G631 PolarHBondContact O-N 3.22Å
632L50Low45.9Very low43 Ų43108.6 Ų108.623%0.22562%0.622CS.*THydrogen-bonded Turntrans-99.2-32.3176.6-68.5168.1000112.9P580 F629 K634P580-L632 HydrophobicContact CB-CD1 3.63Å; P580-L632 HydrophobicContact CB-CD2 3.79Å; P580-L632 HydrophobicContact CB-CG 4.24Å; P580-L632 HydrophobicContact CG-CD1 3.8Å; F629-L632 WeakPolarHBondContact O-CB 3.5Å; F629-L632 PolarHBondContact O-N 2.99Å; L632-K634 PolarHBondContact O-N 3.31Å
633S42.6Very low45.4Very low54 Ų54111.6 Ų111.638%0.37864%0.635SS.*SBendtrans-8796.1161.858.70000107.8L635S633-L635 VanDerWaalsContact C-N 3.34Å; S633-L635 PolarHBondContact O-N 2.62Å
634K41.2Very low44.7Very low181 Ų181108.1 Ų108.179%0.78763%0.626SS**  trans-64.5110.4152.2-76.4-176.2-179.8177.30104.3L632 V636L632-K634 PolarHBondContact O-N 3.31Å; K634-V636 HydrophobicContact CB-CG2 4.42Å; K634-V636 PolarHBondContact O-N 2.8Å
635L34.4Very low44.1Very low151 Ų151101.2 Ų101.279%0.79161%0.613SS**  trans-55.190.9156.3-97.3143.9000104.8S633 S637S633-L635 VanDerWaalsContact C-N 3.34Å; S633-L635 PolarHBondContact O-N 2.62Å; L635-S637 PolarHBondContact O-N 2.88Å
636V33.3Very low43.1Very low110 Ų110104.5 Ų104.567%0.66764%0.638SS**  trans-68.894.8165.4179.40000102.5K634 A638K634-V636 HydrophobicContact CB-CG2 4.42Å; K634-V636 PolarHBondContact O-N 2.8Å; V636-A638 VanDerWaalsContact C-N 3.34Å; V636-A638 PolarHBondContact O-N 3.06Å
637S27.8Very low42.1Very low78 Ų78103.3 Ų103.355%0.54565%0.646SS.*  trans-52.2106.1169172.70000106.2L635 Q639L635-S637 PolarHBondContact O-N 2.88Å; S637-Q639 PolarHBondContact O-N 3.44Å; S637-Q639 WeakPolarHBondContact OG-CG 3.2Å
638A28.1Very low40.7Very low100 Ų100104.1 Ų104.183%0.82665%0.646SS**  trans-66.479.8162.700000106.7V636V636-A638 VanDerWaalsContact C-N 3.34Å; V636-A638 PolarHBondContact O-N 3.06Å
639Q25.7Very low39.7Very low167 Ų167103.4 Ų103.478%0.7866%0.663SS**  trans-120.4116.4165.2-85.6-170.9-19.500108.4S637S637-Q639 PolarHBondContact O-N 3.44Å; S637-Q639 WeakPolarHBondContact OG-CG 3.2Å
640A30.7Very low38.1Very low183 Ų183112.4 Ų112.4100%1.51272%0.721SS**  trans72.90173.500000117

Retrieved 640 of 640 residues in 104.8 ms (Link to these results)

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