A0A077ZBQ6_TRITR Loading...

SCP2 2 and Acetyltransf 9 and Nuc deoxyrib tr dom ain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 616 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
1M46.2Very low77.5Confident225 Ų22596.9 Ų96.9100%1.10850%0.499SS*.  0-29.20-78.1-175.4-159.200112.1
2D56.1Low78.9Confident113 Ų11394.3 Ų94.360%0.60448%0.481SS*.  trans-72.2-23.8173.5-93-10.3000115.7D4 H105D2-D4 VanDerWaalsContact C-N 3.27Å; D2-D4 PolarHBondContact O-N 3.46Å; D2-H105 IonicContact OD1-CD2 3Å
3S60.3Low80.1Confident84 Ų8493.7 Ų93.759%0.58749%0.488SS*.Hα-helixtrans-63.8-33.7-175.359.10000112.8E7S3-E7 WeakPolarHBondContact O-CG 3.45Å
4D70.4Confident81Confident107 Ų10788.2 Ų88.257%0.57246%0.46SS*.Hα-helixtrans-73.6-30.6-173.1-148.36.9000112.7D2D2-D4 VanDerWaalsContact C-N 3.27Å; D2-D4 PolarHBondContact O-N 3.46Å
5F81.8Confident81.3Confident54 Ų5484.3 Ų84.324%0.23745%0.45CS..Hα-helixtrans-73.6-42.5179.3-179.5-111.9000111.9E7 Q8 L9 Y102 H105F5-E7 VanDerWaalsContact C-N 3.26Å; F5-E7 PolarHBondContact O-N 3.41Å; F5-Q8 WeakPolarHBondContact O-CB 3.46Å; F5-Q8 PolarHBondContact O-N 3.31Å; F5-Q8 VanDerWaalsContact O-N 3.14Å; F5-L9 HydrophobicContact CD1-CD1 4.21Å; F5-L9 HydrophobicContact CE1-CD1 3.9Å; F5-L9 HydrophobicContact CZ-CD2 4.43Å; F5-Y102 AromaticContact CE1-CD1 3.99Å; F5-Y102 HydrophobicContact CE1-CD1 3.99Å; F5-Y102 HydrophobicContact CE1-CE1 4.47Å; F5-Y102 AromaticContact CZ-CD1 3.61Å; F5-Y102 HydrophobicContact CZ-CD1 3.61Å; F5-Y102 AromaticContact CZ-CE1 3.66Å; F5-Y102 HydrophobicContact CZ-CE1 3.66Å; F5-H105 AromaticContact CD1-CD2 3.66Å; F5-H105 AromaticContact CD1-NE2 3.83Å
6K81Confident81.4Confident71 Ų7189.4 Ų89.431%0.30947%0.47SS..Hα-helixtrans-69.3-26.4-176.1-161.6173.5-177.3174.50112.7Q8 L9 D110K6-Q8 PolarHBondContact O-N 2.85Å; K6-L9 PolarHBondContact O-N 3Å; K6-L9 VanDerWaalsContact O-N 3.11Å; K6-D110 WeakPolarHBondContact CE-OD2 3.45Å; K6-D110 IonicContact NZ-OD1 3.3Å; K6-D110 IonicContact NZ-OD2 2.75Å; K6-D110 PolarHBondContact NZ-OD2 3.04Å
7E82.6Confident81.7Confident152 Ų15292.6 Ų92.671%0.7148%0.482SS*.THydrogen-bonded Turntrans-63.5-19.7173.9-74176.8-159.700113.2S3 F5S3-E7 WeakPolarHBondContact O-CG 3.45Å; F5-E7 VanDerWaalsContact C-N 3.26Å; F5-E7 PolarHBondContact O-N 3.41Å
8Q88.6Confident82.1Confident110 Ų11088.4 Ų88.451%0.51446%0.46SS..THydrogen-bonded Turntrans-88-8176.6-57177.615.700113.1F5 K6F5-Q8 WeakPolarHBondContact O-CB 3.46Å; F5-Q8 PolarHBondContact O-N 3.31Å; F5-Q8 VanDerWaalsContact O-N 3.14Å; K6-Q8 PolarHBondContact O-N 2.85Å
9L94.1Very high82.2Confident12 Ų1286.2 Ų86.26%0.06345%0.448CS..EExtended strand (participates in β ladder)trans-99.3145.6-175.6-52.6179.8000110.6F5 K6 W64 F65 H66 I71 L107F5-L9 HydrophobicContact CD1-CD1 4.21Å; F5-L9 HydrophobicContact CE1-CD1 3.9Å; F5-L9 HydrophobicContact CZ-CD2 4.43Å; K6-L9 PolarHBondContact O-N 3Å; K6-L9 VanDerWaalsContact O-N 3.11Å; L9-W64 HydrophobicContact CB-CE3 3.58Å; L9-W64 HydrophobicContact CB-CZ3 3.81Å; L9-F65 CarbonylContact C-O 3.57Å; L9-F65 VanDerWaalsContact CA-O 3.27Å; L9-F65 WeakPolarHBondContact CA-O 3.34Å; L9-H66 HydrophobicContact CD2-CB 3.61Å; L9-I71 HydrophobicContact CD1-CD1 3.96Å; L9-I71 HydrophobicContact CD2-CD1 3.74Å; L9-I71 HydrophobicContact CG-CD1 4.4Å; L9-L107 HydrophobicContact CD1-CD1 4.27Å; L9-L107 HydrophobicContact CD1-CD2 3.62Å
10V95.5Very high82.4Confident81 Ų8185.7 Ų85.749%0.49146%0.457SS..EExtended strand (participates in β ladder)trans-120.6122.7179.6-178.20000110W64 F65V10-W64 VanDerWaalsContact C-CE3 3.46Å; V10-W64 CarbonylContact O-C 3.6Å; V10-W64 WeakPolarHBondContact O-CA 3.24Å; V10-F65 PolarHBondContact N-O 3.13Å; V10-F65 PolarHBondContact O-N 3.21Å
11L95.6Very high82.8Confident57 Ų5784 Ų8430%0.29845%0.447SS..EExtended strand (participates in β ladder)trans-89.2119.9170.5-177.2149.7000109G63 W64 D110 L111 K114L11-G63 WeakPolarHBondContact CA-O 3.4Å; L11-W64 HydrophobicContact CB-CD2 3.89Å; L11-W64 HydrophobicContact CB-CE3 3.8Å; L11-W64 HydrophobicContact CB-CH2 3.78Å; L11-W64 HydrophobicContact CB-CZ2 3.86Å; L11-W64 HydrophobicContact CB-CZ3 3.76Å; L11-W64 HydrophobicContact CD1-CD2 4.36Å; L11-W64 HydrophobicContact CD1-CH2 4.49Å; L11-W64 HydrophobicContact CD1-CZ2 3.76Å; L11-W64 HydrophobicContact CG-CZ2 4.45Å; L11-D110 HydrophobicContact CD1-CB 4.26Å; L11-L111 HydrophobicContact CD1-CD2 3.97Å; L11-L111 HydrophobicContact CG-CD2 4.36Å; L11-K114 HydrophobicContact CD2-CB 4.47Å; L11-K114 HydrophobicContact CD2-CG 4.19Å
12K95.3Very high84.8Confident65 Ų6573.5 Ų73.528%0.28340%0.395SS..EExtended strand (participates in β ladder)trans-147.5162.7179.459.7174.3179.5169.80111.6H18 G63 F65K12-H18 PolarHBondContact NZ-NE2 3.33Å; K12-G63 PolarHBondContact N-O 2.94Å; K12-G63 PolarHBondContact O-N 3.23Å; K12-F65 HydrophobicContact CD-CD2 3.97Å; K12-F65 HydrophobicContact CD-CE2 3.99Å; K12-F65 HydrophobicContact CD-CG 4.45Å; K12-F65 HydrophobicContact CD-CZ 4.49Å; K12-F65 VanDerWaalsContact CE-CZ 3.47Å; K12-F65 HydrophobicContact CG-CD2 3.43Å; K12-F65 VanDerWaalsContact CG-CD2 3.43Å; K12-F65 HydrophobicContact CG-CE2 3.4Å; K12-F65 VanDerWaalsContact CG-CE2 3.4Å; K12-F65 HydrophobicContact CG-CG 4.35Å; K12-F65 HydrophobicContact CG-CZ 4.3Å
13P94.5Very high86.2Confident87 Ų8769.2 Ų69.257%0.56537%0.372SS*.EExtended strand (participates in β ladder)trans-57.1147.4167.2-2233.7000111.4V61 F62P13-V61 WeakPolarHBondContact CA-O 3.27Å; P13-F62 HydrophobicContact CB-CD1 4.44Å; P13-F62 HydrophobicContact CG-CD1 4.32Å; P13-F62 HydrophobicContact CG-CE1 4.18Å
14V92Very high87.5Confident17 Ų1770.5 Ų70.510%0.10337%0.369CS..  trans-102100.7176.7-177.50000107.7H18 Y22 V61 F65 L70V14-H18 HydrophobicContact CG1-CB 3.59Å; V14-Y22 HydrophobicContact CG1-CD2 4.35Å; V14-V61 HydrophobicContact CB-CB 4Å; V14-V61 HydrophobicContact CB-CG1 3.71Å; V14-V61 HydrophobicContact CG1-CG1 4.25Å; V14-V61 HydrophobicContact CG2-CG1 4.04Å; V14-V61 PolarHBondContact N-O 3.04Å; V14-F65 HydrophobicContact CG2-CE2 4.1Å; V14-F65 HydrophobicContact CG2-CZ 4.13Å; V14-L70 HydrophobicContact CG1-CD2 4.09Å; V14-L70 HydrophobicContact CG2-CD1 3.9Å; V14-L70 HydrophobicContact CG2-CD2 4.38Å
15G85.5Confident88.4Confident29 Ų2965.4 Ų65.430%0.29934%0.341SS..  trans-80.4177.2174.500000114.1E17 H18G15-E17 VanDerWaalsContact C-OE2 3.27Å; G15-E17 WeakPolarHBondContact CA-OE2 3.41Å; G15-E17 PolarHBondContact O-N 3.18Å; G15-H18 PolarHBondContact N-ND1 3.03Å; G15-H18 PolarHBondContact O-N 3.05Å
16E83.8Confident88.6Confident167 Ų16763 Ų6378%0.7833%0.331SS*.G310 helixtrans-55-32.4179.2-67.2-17617300113.2H18 L19E16-H18 PolarHBondContact O-N 2.89Å; E16-H18 VanDerWaalsContact O-N 3.11Å; E16-L19 VanDerWaalsContact O-CB 3.26Å; E16-L19 WeakPolarHBondContact O-CB 3.31Å; E16-L19 PolarHBondContact O-N 3.47Å
17E86.5Confident88.7Confident144 Ų14460.6 Ų60.667%0.67332%0.323SS*.G310 helixtrans-61.4-19.7177.669.6-79.5-17400113.4G15G15-E17 VanDerWaalsContact C-OE2 3.27Å; G15-E17 WeakPolarHBondContact CA-OE2 3.41Å; G15-E17 PolarHBondContact O-N 3.18Å
18H89.1Confident88.8Confident16 Ų1660.1 Ų60.17%0.07432%0.316CS..G310 helixtrans-101.81.4179.6-50.3106.5000113.1K12 V14 G15 E16 A20 Q21 Y22 F65K12-H18 PolarHBondContact NZ-NE2 3.33Å; V14-H18 HydrophobicContact CG1-CB 3.59Å; G15-H18 PolarHBondContact N-ND1 3.03Å; G15-H18 PolarHBondContact O-N 3.05Å; E16-H18 PolarHBondContact O-N 2.89Å; E16-H18 VanDerWaalsContact O-N 3.11Å; H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 3Å; H18-A20 VanDerWaalsContact O-N 3.17Å; H18-Q21 WeakPolarHBondContact O-CB 3.41Å; H18-Q21 PolarHBondContact O-N 3.18Å; H18-Y22 PolarHBondContact O-N 3.26Å; H18-F65 AromaticContact CD2-CE1 3.39Å; H18-F65 WeakPolarHBondContact CD2-CE1 3.36Å; H18-F65 AromaticContact CD2-CZ 3.68Å; H18-F65 AromaticContact CG-CZ 3.91Å; H18-F65 AromaticContact NE2-CE1 3.61Å; H18-F65 AromaticContact NE2-CZ 3.75Å
19L83.8Confident88.5Confident46 Ų4656.6 Ų56.624%0.24130%0.302CS..Hα-helixtrans-54.8-39.9-173-176.566.3000112.8E16 Q21 Y22 D23 K53 L56E16-L19 VanDerWaalsContact O-CB 3.26Å; E16-L19 WeakPolarHBondContact O-CB 3.31Å; E16-L19 PolarHBondContact O-N 3.47Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.3Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 3.17Å; L19-D23 WeakPolarHBondContact O-CB 3.35Å; L19-D23 PolarHBondContact O-N 3.29Å; L19-K53 HydrophobicContact CD2-CD 3.98Å; L19-K53 HydrophobicContact CD2-CG 4.23Å; L19-L56 HydrophobicContact CD1-CD1 4.1Å
20A85.9Confident87.6Confident77 Ų7760.1 Ų60.164%0.63632%0.317SS*.Hα-helixtrans-61.3-40.1177.200000112.7H18 E24H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 3Å; H18-A20 VanDerWaalsContact O-N 3.17Å; A20-E24 WeakPolarHBondContact O-CB 3.4Å; A20-E24 PolarHBondContact O-N 3.25Å
21Q91.2Very high86.4Confident49 Ų4963.4 Ų63.423%0.22933%0.327CS..Hα-helixtrans-73.6-35.6177.7-56-169.74900111.5H18 L19 E24 L25 D68 L70H18-Q21 WeakPolarHBondContact O-CB 3.41Å; H18-Q21 PolarHBondContact O-N 3.18Å; L19-Q21 VanDerWaalsContact C-N 3.33Å; L19-Q21 PolarHBondContact O-N 3.3Å; Q21-E24 PolarHBondContact O-N 3.43Å; Q21-L25 PolarHBondContact O-N 3.34Å; Q21-D68 PolarHBondContact NE2-O 3.46Å; Q21-D68 PolarHBondContact OE1-O 2.94Å; Q21-L70 HydrophobicContact CB-CB 3.95Å; Q21-L70 HydrophobicContact CB-CD2 4.4Å
22Y88.2Confident85.2Confident5 Ų561.9 Ų61.92%0.0232%0.32CS..Hα-helixtrans-61.2-48.5174.9-179.8-82.2000111.7V14 H18 L19 E24 L25 L26 L56 V61 L70 Q73 G95V14-Y22 HydrophobicContact CG1-CD2 4.35Å; H18-Y22 PolarHBondContact O-N 3.26Å; L19-Y22 WeakPolarHBondContact O-CB 3.27Å; L19-Y22 PolarHBondContact O-N 3.17Å; Y22-E24 VanDerWaalsContact C-N 3.33Å; Y22-L25 PolarHBondContact O-N 3.11Å; Y22-L26 HydrophobicContact CD1-CD1 4.08Å; Y22-L26 HydrophobicContact CD1-CG 4.27Å; Y22-L26 HydrophobicContact CE1-CD1 3.26Å; Y22-L26 HydrophobicContact CE1-CG 3.73Å; Y22-L26 PolarHBondContact O-N 3.35Å; Y22-L56 HydrophobicContact CD1-CD1 3.54Å; Y22-L56 HydrophobicContact CD1-CD2 4.4Å; Y22-L56 HydrophobicContact CE1-CD1 3.19Å; Y22-L56 HydrophobicContact CE1-CD2 3.39Å; Y22-L56 HydrophobicContact CE1-CG 3.89Å; Y22-L56 HydrophobicContact CE2-CD2 4.27Å; Y22-L56 WeakPolarHBondContact OH-CD2 3.42Å; Y22-V61 HydrophobicContact CD2-CG1 3.84Å; Y22-V61 HydrophobicContact CE2-CG1 3.51Å; Y22-L70 HydrophobicContact CD2-CD2 4.42Å; Y22-Q73 HydrophobicContact CD2-CB 4.35Å; Y22-Q73 HydrophobicContact CD2-CG 4.01Å; Y22-Q73 HydrophobicContact CE2-CB 4.29Å; Y22-Q73 HydrophobicContact CE2-CG 3.7Å; Y22-Q73 VanDerWaalsContact CZ-NE2 3.35Å; Y22-Q73 PolarHBondContact O-NE2 2.67Å; Y22-G95 VanDerWaalsContact OH-CA 3.24Å; Y22-G95 WeakPolarHBondContact OH-CA 3.31Å
23D84.6Confident84Confident23 Ų2362 Ų6212%0.12333%0.326CS..Hα-helixtrans-63.8-39.3176.4-73.9-12.1000111.3L19 L26 S27 V49L19-D23 WeakPolarHBondContact O-CB 3.35Å; L19-D23 PolarHBondContact O-N 3.29Å; D23-L26 PolarHBondContact O-N 3.23Å; D23-S27 WeakPolarHBondContact O-CB 3.28Å; D23-S27 PolarHBondContact O-N 3.34Å; D23-S27 PolarHBondContact O-OG 3.3Å; D23-V49 HydrophobicContact CB-CG1 4.21Å
24E88.2Confident82.7Confident111 Ų11165.5 Ų65.552%0.51934%0.335SS..Hα-helixtrans-62-49.5176.6-168.9178.1177.400111.2A20 Q21 Y22 L26 S27 Y28 Y99A20-E24 WeakPolarHBondContact O-CB 3.4Å; A20-E24 PolarHBondContact O-N 3.25Å; Q21-E24 PolarHBondContact O-N 3.43Å; Y22-E24 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.41Å; E24-S27 PolarHBondContact O-N 3.36Å; E24-S27 PolarHBondContact O-OG 2.93Å; E24-Y28 WeakPolarHBondContact O-CB 3.46Å; E24-Y28 PolarHBondContact O-N 3.12Å; E24-Y99 WeakPolarHBondContact CG-OH 3.31Å
25L89.9Confident81.7Confident0 Ų067.5 Ų67.50%035%0.35CS..Hα-helixtrans-58.5-49.7176.6-170.689.8000110.9Q21 Y22 S27 Y28 V29 Q73 Y99Q21-L25 PolarHBondContact O-N 3.34Å; Y22-L25 PolarHBondContact O-N 3.11Å; L25-S27 PolarHBondContact O-N 3.47Å; L25-Y28 WeakPolarHBondContact O-CB 3.3Å; L25-Y28 PolarHBondContact O-N 2.84Å; L25-Y28 VanDerWaalsContact O-N 3.1Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.29Å; L25-Q73 HydrophobicContact CD2-CB 4.02Å; L25-Q73 HydrophobicContact CD2-CG 3.46Å; L25-Q73 VanDerWaalsContact CD2-CG 3.46Å; L25-Q73 VanDerWaalsContact CD2-OE1 3.23Å; L25-Y99 HydrophobicContact CB-CE2 4.42Å; L25-Y99 HydrophobicContact CD1-CD1 3.87Å; L25-Y99 HydrophobicContact CD1-CD2 3.24Å; L25-Y99 HydrophobicContact CD1-CE1 3.93Å; L25-Y99 HydrophobicContact CD1-CE2 3.3Å; L25-Y99 HydrophobicContact CD1-CG 3.51Å; L25-Y99 HydrophobicContact CG-CE2 4.45Å; L25-Y99 PolarHBondContact N-OH 2.85Å
26L85.1Confident81.2Confident3 Ų369.9 Ų69.92%0.01636%0.356CS..Hα-helixtrans-58.6-47.4177-78.7-166.1000111.9Y22 D23 E24 Y28 V29 F30 V49Y22-L26 HydrophobicContact CD1-CD1 4.08Å; Y22-L26 HydrophobicContact CD1-CG 4.27Å; Y22-L26 HydrophobicContact CE1-CD1 3.26Å; Y22-L26 HydrophobicContact CE1-CG 3.73Å; Y22-L26 PolarHBondContact O-N 3.35Å; D23-L26 PolarHBondContact O-N 3.23Å; E24-L26 PolarHBondContact O-N 3.41Å; L26-Y28 PolarHBondContact O-N 3.48Å; L26-V29 PolarHBondContact O-N 2.85Å; L26-F30 WeakPolarHBondContact O-CB 3.39Å; L26-F30 PolarHBondContact O-N 3.2Å; L26-V49 HydrophobicContact CB-CG1 3.84Å; L26-V49 HydrophobicContact CD1-CG1 4.15Å
27S82.8Confident80.6Confident22 Ų2263.2 Ų63.215%0.15433%0.325CS..Hα-helixtrans-62-25.417977.90000112.2D23 E24 L25 K45D23-S27 WeakPolarHBondContact O-CB 3.28Å; D23-S27 PolarHBondContact O-N 3.34Å; D23-S27 PolarHBondContact O-OG 3.3Å; E24-S27 PolarHBondContact O-N 3.36Å; E24-S27 PolarHBondContact O-OG 2.93Å; L25-S27 PolarHBondContact O-N 3.47Å; S27-K45 WeakPolarHBondContact O-CE 3.36Å; S27-K45 PolarHBondContact O-NZ 3.05Å
28Y85.2Confident79.9Confident141 Ų14163.6 Ų63.655%0.55333%0.327SS*.Hα-helixtrans-79.4-51.4174.8-168.2-82.2000111.8E24 L25 L26 Y99 P100E24-Y28 WeakPolarHBondContact O-CB 3.46Å; E24-Y28 PolarHBondContact O-N 3.12Å; L25-Y28 WeakPolarHBondContact O-CB 3.3Å; L25-Y28 PolarHBondContact O-N 2.84Å; L25-Y28 VanDerWaalsContact O-N 3.1Å; L26-Y28 PolarHBondContact O-N 3.48Å; Y28-Y99 HydrophobicContact CD1-CD1 4.03Å; Y28-Y99 HydrophobicContact CD1-CE1 4.23Å; Y28-Y99 HydrophobicContact CD2-CE1 4.22Å; Y28-Y99 HydrophobicContact CE1-CD1 4.46Å; Y28-Y99 HydrophobicContact CG-CD1 4.12Å; Y28-Y99 AromaticContact CG-CE1 3.85Å; Y28-Y99 HydrophobicContact CG-CE1 3.85Å; Y28-P100 VanDerWaalsContact CE1-CD 3.47Å; Y28-P100 HydrophobicContact CE1-CG 3.65Å
29V81Confident79Confident37 Ų3768.1 Ų68.122%0.22435%0.352CS..Hα-helixtrans-83.9-28.1-171-60.80000114.3L25 L26 Q31 T98L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.41Å; L25-V29 PolarHBondContact O-N 3.29Å; L26-V29 PolarHBondContact O-N 2.85Å; V29-Q31 PolarHBondContact O-N 3.16Å; V29-T98 WeakPolarHBondContact CG1-O 3.44Å
30F76.9Confident78.5Confident86 Ų8666.2 Ų66.238%0.37734%0.342SS..SBendtrans-77.5111.8-173.2-158.7-113.3000108.6L26 V32 K45 M48L26-F30 WeakPolarHBondContact O-CB 3.39Å; L26-F30 PolarHBondContact O-N 3.2Å; F30-V32 HydrophobicContact CD1-CG2 3.32Å; F30-V32 HydrophobicContact CE1-CG2 3.82Å; F30-V32 HydrophobicContact CG-CG2 4.33Å; F30-V32 PolarHBondContact O-N 3.46Å; F30-K45 WeakPolarHBondContact O-CE 3.29Å; F30-K45 PolarHBondContact O-NZ 3.1Å; F30-M48 HydrophobicContact CD1-CE 4.5Å; F30-M48 HydrophobicContact CE1-CE 4.4Å
31Q69.8Low77.9Confident150 Ų15065.6 Ų65.670%0.70134%0.344SS*.  trans-77.9112178.6-68.3-179.3-14.300108.6V29V29-Q31 PolarHBondContact O-N 3.16Å
32V69.4Low77.1Confident24 Ų2465.8 Ų65.815%0.14534%0.342CS..  trans-124126.3177.8-175.30000105.2F30 D36 I37 K45 M48F30-V32 HydrophobicContact CD1-CG2 3.32Å; F30-V32 HydrophobicContact CE1-CG2 3.82Å; F30-V32 HydrophobicContact CG-CG2 4.33Å; F30-V32 PolarHBondContact O-N 3.46Å; V32-D36 HydrophobicContact CG1-CB 3.64Å; V32-I37 HydrophobicContact CG1-CD1 4.34Å; V32-I37 HydrophobicContact CG1-CG1 3.65Å; V32-K45 HydrophobicContact CG2-CG 4.43Å; V32-M48 HydrophobicContact CB-CE 3.97Å; V32-M48 HydrophobicContact CG1-CE 3.42Å; V32-M48 VanDerWaalsContact CG1-CE 3.42Å; V32-M48 HydrophobicContact CG1-SD 3.95Å; V32-M48 HydrophobicContact CG2-CE 3.3Å
33T70Confident76.6Confident69 Ų6973.6 Ų73.642%0.42338%0.379SS..  trans-74.9155.9176.6660000110S35 D36 I37T33-S35 PolarHBondContact O-N 3.05Å; T33-S35 PolarHBondContact OG1-OG 3.43Å; T33-D36 WeakPolarHBondContact CB-OD2 3.38Å; T33-D36 PolarHBondContact N-OD2 3.36Å; T33-D36 PolarHBondContact O-N 3.08Å; T33-D36 PolarHBondContact OG1-N 2.82Å; T33-D36 PolarHBondContact OG1-OD1 3.14Å; T33-D36 PolarHBondContact OG1-OD2 3.06Å; T33-I37 PolarHBondContact O-N 3.04Å
34E68.5Low76.3Confident159 Ų15975.7 Ų75.774%0.74339%0.39SS*.Hα-helixtrans-57.3-36.2172.6-73.3-179.1164.300111D36 I37 E38E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 2.92Å; E34-I37 WeakPolarHBondContact O-CB 3.5Å; E34-I37 PolarHBondContact O-N 3.09Å; E34-E38 WeakPolarHBondContact O-CG 3.32Å; E34-E38 PolarHBondContact O-N 3.34Å
35S70.7Confident75.7Confident60 Ų6073.1 Ų73.142%0.4238%0.377SS..Hα-helixtrans-63.5-34173.748.50000113.9T33 I37 N39T33-S35 PolarHBondContact O-N 3.05Å; T33-S35 PolarHBondContact OG1-OG 3.43Å; S35-I37 VanDerWaalsContact C-N 3.32Å; S35-N39 VanDerWaalsContact O-CB 3.27Å; S35-N39 WeakPolarHBondContact O-CB 3.48Å; S35-N39 PolarHBondContact O-N 3.04Å; S35-N39 PolarHBondContact O-ND2 3.11Å
36D74.4Confident75Confident78 Ų7881 Ų8142%0.41741%0.407SS..Hα-helixtrans-68-37.8175.7-60-39.5000110.4V32 T33 E34 S40V32-D36 HydrophobicContact CG1-CB 3.64Å; T33-D36 WeakPolarHBondContact CB-OD2 3.38Å; T33-D36 PolarHBondContact N-OD2 3.36Å; T33-D36 PolarHBondContact O-N 3.08Å; T33-D36 PolarHBondContact OG1-N 2.82Å; T33-D36 PolarHBondContact OG1-OD1 3.14Å; T33-D36 PolarHBondContact OG1-OD2 3.06Å; E34-D36 VanDerWaalsContact C-N 3.34Å; E34-D36 PolarHBondContact O-N 2.92Å; D36-S40 WeakPolarHBondContact O-CB 3.42Å; D36-S40 PolarHBondContact O-N 3.42Å; D36-S40 PolarHBondContact O-OG 2.95Å
37I72.1Confident74.7Confident27 Ų2784.6 Ų84.614%0.13842%0.424CS..Hα-helixtrans-65.2-51.5176.6-59.5170.4000109.5V32 T33 E34 S35 N39 S40 Y42 K45V32-I37 HydrophobicContact CG1-CD1 4.34Å; V32-I37 HydrophobicContact CG1-CG1 3.65Å; T33-I37 PolarHBondContact O-N 3.04Å; E34-I37 WeakPolarHBondContact O-CB 3.5Å; E34-I37 PolarHBondContact O-N 3.09Å; S35-I37 VanDerWaalsContact C-N 3.32Å; I37-N39 PolarHBondContact O-N 3.27Å; I37-S40 PolarHBondContact O-N 3.31Å; I37-S40 VanDerWaalsContact O-N 3.16Å; I37-S40 PolarHBondContact O-OG 2.82Å; I37-Y42 WeakPolarHBondContact CG2-O 3.36Å; I37-K45 HydrophobicContact CD1-CB 3.88Å
38E70.9Confident74.2Confident153 Ų15383.9 Ų83.972%0.71542%0.418SS*.Hα-helixtrans-58.2-44.6179.5-73179.1171.800112.3E34 S40E34-E38 WeakPolarHBondContact O-CG 3.32Å; E34-E38 PolarHBondContact O-N 3.34Å; E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 2.94Å
39N71.1Confident73.7Confident110 Ų11077.2 Ų77.259%0.58839%0.392SS*.Hα-helixtrans-74-19.7-179.5-68.9-37.9000113.7S35 I37S35-N39 VanDerWaalsContact O-CB 3.27Å; S35-N39 WeakPolarHBondContact O-CB 3.48Å; S35-N39 PolarHBondContact O-N 3.04Å; S35-N39 PolarHBondContact O-ND2 3.11Å; I37-N39 PolarHBondContact O-N 3.27Å
40S72.2Confident73.4Confident7 Ų783.5 Ų83.55%0.04941%0.412CS..Hα-helixtrans-81.2-13.1-179.468.20000114.7D36 I37 E38 Y42 F206D36-S40 WeakPolarHBondContact O-CB 3.42Å; D36-S40 PolarHBondContact O-N 3.42Å; D36-S40 PolarHBondContact O-OG 2.95Å; I37-S40 PolarHBondContact O-N 3.31Å; I37-S40 VanDerWaalsContact O-N 3.16Å; I37-S40 PolarHBondContact O-OG 2.82Å; E38-S40 VanDerWaalsContact C-N 3.29Å; E38-S40 PolarHBondContact O-N 2.94Å; S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 3.12Å; S40-Y42 WeakPolarHBondContact OG-CD2 3.42Å; S40-Y42 PolarHBondContact OG-N 2.94Å; S40-F206 WeakPolarHBondContact CA-O 3.35Å
41G73.1Confident73.4Confident64 Ų6480.4 Ų80.466%0.6640%0.402SS*.THydrogen-bonded Turntrans80.2-0.6-174.900000115
42Y76Confident73.7Confident52 Ų5274.7 Ų74.720%0.20438%0.375CS..  trans-84.9145.6175.7-66.6-64.5000112.4I37 S40 N44 E47 M48 A51 R205 F206I37-Y42 WeakPolarHBondContact CG2-O 3.36Å; S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 3.12Å; S40-Y42 WeakPolarHBondContact OG-CD2 3.42Å; S40-Y42 PolarHBondContact OG-N 2.94Å; Y42-N44 VanDerWaalsContact C-N 3.31Å; Y42-N44 PolarHBondContact O-N 2.68Å; Y42-E47 HydrophobicContact CD1-CB 4.34Å; Y42-E47 HydrophobicContact CD1-CG 3.77Å; Y42-E47 HydrophobicContact CE1-CG 4.48Å; Y42-M48 HydrophobicContact CD2-CB 3.61Å; Y42-M48 HydrophobicContact CD2-CG 3.51Å; Y42-M48 HydrophobicContact CE2-CB 4.29Å; Y42-M48 HydrophobicContact CE2-CG 3.92Å; Y42-M48 HydrophobicContact CG-CB 3.91Å; Y42-M48 HydrophobicContact CG-CG 4.32Å; Y42-A51 HydrophobicContact CE1-CB 3.91Å; Y42-A51 HydrophobicContact CE2-CB 4.28Å; Y42-A51 WeakPolarHBondContact OH-CB 3.35Å; Y42-R205 HydrophobicContact CE2-CG 4.21Å; Y42-R205 VanDerWaalsContact CE2-O 3.31Å; Y42-R205 WeakPolarHBondContact CE2-O 3.3Å; Y42-R205 VanDerWaalsContact OH-CG 3.25Å; Y42-R205 WeakPolarHBondContact OH-CG 3.45Å; Y42-R205 PolarHBondContact OH-O 2.92Å; Y42-F206 HydrophobicContact CE2-CD1 4.17Å; Y42-F206 HydrophobicContact CE2-CE1 4.43Å
43E75.7Confident74.1Confident169 Ų16977.7 Ų77.779%0.7939%0.386SS*.SBendtrans-69.9-30.3-179.1-64-172.9163.700112.4E47E43-E47 WeakPolarHBondContact CB-OE2 3.35Å; E43-E47 PolarHBondContact N-OE2 3.42Å
44N78.9Confident74.6Confident68 Ų6876.4 Ų76.436%0.36438%0.379SS..SBendtrans-160.7166.8-178.260.977.7000112.5Y42 R46 E47 M48Y42-N44 VanDerWaalsContact C-N 3.31Å; Y42-N44 PolarHBondContact O-N 2.68Å; N44-R46 VanDerWaalsContact C-N 3.25Å; N44-R46 PolarHBondContact O-N 3.45Å; N44-R46 VanDerWaalsContact O-N 3.16Å; N44-R46 WeakPolarHBondContact OD1-CB 3.49Å; N44-R46 PolarHBondContact OD1-N 2.88Å; N44-E47 WeakPolarHBondContact O-CB 3.33Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 VanDerWaalsContact O-N 3.13Å; N44-E47 PolarHBondContact OD1-N 3.27Å; N44-E47 VanDerWaalsContact OD1-N 3.11Å; N44-M48 PolarHBondContact O-N 3.15Å; N44-M48 VanDerWaalsContact O-N 3.17Å
45K75.9Confident75Confident56 Ų5669.3 Ų69.324%0.24335%0.347CS..Hα-helixtrans-54-36.1179.6-169.3-179.4-172.3-1790114.1S27 F30 V32 I37 M48 V49S27-K45 WeakPolarHBondContact O-CE 3.36Å; S27-K45 PolarHBondContact O-NZ 3.05Å; F30-K45 WeakPolarHBondContact O-CE 3.29Å; F30-K45 PolarHBondContact O-NZ 3.1Å; V32-K45 HydrophobicContact CG2-CG 4.43Å; I37-K45 HydrophobicContact CD1-CB 3.88Å; K45-M48 PolarHBondContact O-N 2.99Å; K45-V49 VanDerWaalsContact O-CG2 3.31Å; K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.21Å
46R75.7Confident75.3Confident167 Ų16767.4 Ų67.463%0.6333%0.331SS*.Hα-helixtrans-70.6-38.1-178.1-71.3-178.6170.8178.1-3.9111.3N44 V49 R50N44-R46 VanDerWaalsContact C-N 3.25Å; N44-R46 PolarHBondContact O-N 3.45Å; N44-R46 VanDerWaalsContact O-N 3.16Å; N44-R46 WeakPolarHBondContact OD1-CB 3.49Å; N44-R46 PolarHBondContact OD1-N 2.88Å; R46-V49 PolarHBondContact O-N 2.97Å; R46-R50 WeakPolarHBondContact O-CB 3.14Å; R46-R50 WeakPolarHBondContact O-CG 3.4Å; R46-R50 PolarHBondContact O-N 2.79Å
47E77.5Confident75.8Confident78 Ų7869.1 Ų69.136%0.36434%0.337SS..Hα-helixtrans-64.2-45.9174.6-166.2179.6-166.600111Y42 E43 N44 V49 R50 A51Y42-E47 HydrophobicContact CD1-CB 4.34Å; Y42-E47 HydrophobicContact CD1-CG 3.77Å; Y42-E47 HydrophobicContact CE1-CG 4.48Å; E43-E47 WeakPolarHBondContact CB-OE2 3.35Å; E43-E47 PolarHBondContact N-OE2 3.42Å; N44-E47 WeakPolarHBondContact O-CB 3.33Å; N44-E47 PolarHBondContact O-N 3.45Å; N44-E47 VanDerWaalsContact O-N 3.13Å; N44-E47 PolarHBondContact OD1-N 3.27Å; N44-E47 VanDerWaalsContact OD1-N 3.11Å; E47-V49 VanDerWaalsContact C-N 3.3Å; E47-V49 PolarHBondContact O-N 3.45Å; E47-R50 PolarHBondContact O-N 3.12Å; E47-R50 VanDerWaalsContact O-N 3.15Å; E47-A51 PolarHBondContact O-N 2.97Å
48M73.3Confident76.4Confident6 Ų672.9 Ų72.93%0.0335%0.354CS..Hα-helixtrans-60-37.3175.7-169.8-176.188.300113F30 V32 Y42 N44 K45 A51 F206F30-M48 HydrophobicContact CD1-CE 4.5Å; F30-M48 HydrophobicContact CE1-CE 4.4Å; V32-M48 HydrophobicContact CB-CE 3.97Å; V32-M48 HydrophobicContact CG1-CE 3.42Å; V32-M48 VanDerWaalsContact CG1-CE 3.42Å; V32-M48 HydrophobicContact CG1-SD 3.95Å; V32-M48 HydrophobicContact CG2-CE 3.3Å; Y42-M48 HydrophobicContact CD2-CB 3.61Å; Y42-M48 HydrophobicContact CD2-CG 3.51Å; Y42-M48 HydrophobicContact CE2-CB 4.29Å; Y42-M48 HydrophobicContact CE2-CG 3.92Å; Y42-M48 HydrophobicContact CG-CB 3.91Å; Y42-M48 HydrophobicContact CG-CG 4.32Å; N44-M48 PolarHBondContact O-N 3.15Å; N44-M48 VanDerWaalsContact O-N 3.17Å; K45-M48 PolarHBondContact O-N 2.99Å; M48-A51 WeakPolarHBondContact O-CB 3.5Å; M48-F206 HydrophobicContact CE-CE1 4.38Å; M48-F206 HydrophobicContact CG-CD1 3.67Å; M48-F206 HydrophobicContact CG-CE1 3.42Å; M48-F206 VanDerWaalsContact CG-CE1 3.42Å; M48-F206 HydrophobicContact SD-CD1 3.8Å; M48-F206 HydrophobicContact SD-CE1 3.95Å
49V74.1Confident77.4Confident2 Ų266.3 Ų66.31%0.01233%0.325CS..Hα-helixtrans-71.2-43.2174.5171.10000111.2D23 L26 K45 R46 E47 A51 K52D23-V49 HydrophobicContact CB-CG1 4.21Å; L26-V49 HydrophobicContact CB-CG1 3.84Å; L26-V49 HydrophobicContact CD1-CG1 4.15Å; K45-V49 VanDerWaalsContact O-CG2 3.31Å; K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.21Å; R46-V49 PolarHBondContact O-N 2.97Å; E47-V49 VanDerWaalsContact C-N 3.3Å; E47-V49 PolarHBondContact O-N 3.45Å; V49-A51 PolarHBondContact O-N 2.81Å; V49-K52 WeakPolarHBondContact O-CB 3.24Å; V49-K52 PolarHBondContact O-N 3.01Å
50R75.8Confident78.5Confident168 Ų16865.1 Ų65.163%0.63432%0.315SS*.Hα-helixtrans-61.1-31.2176.6-79.8176.2175.8-178.6-0.9112.7R46 E47 K52 K53R46-R50 WeakPolarHBondContact O-CB 3.14Å; R46-R50 WeakPolarHBondContact O-CG 3.4Å; R46-R50 PolarHBondContact O-N 2.79Å; E47-R50 PolarHBondContact O-N 3.12Å; E47-R50 VanDerWaalsContact O-N 3.15Å; R50-K52 PolarHBondContact O-N 3.37Å; R50-K52 VanDerWaalsContact O-N 3.15Å; R50-K53 VanDerWaalsContact O-CB 3.25Å; R50-K53 WeakPolarHBondContact O-CB 3.4Å; R50-K53 PolarHBondContact O-N 3.07Å
51A76.8Confident79.6Confident21 Ų2165.6 Ų65.617%0.17432%0.317CS..THydrogen-bonded Turntrans-57.5-26.2173.200000112Y42 E47 M48 V49 K53 P54 R205Y42-A51 HydrophobicContact CE1-CB 3.91Å; Y42-A51 HydrophobicContact CE2-CB 4.28Å; Y42-A51 WeakPolarHBondContact OH-CB 3.35Å; E47-A51 PolarHBondContact O-N 2.97Å; M48-A51 WeakPolarHBondContact O-CB 3.5Å; V49-A51 PolarHBondContact O-N 2.81Å; A51-K53 PolarHBondContact O-N 2.83Å; A51-P54 WeakPolarHBondContact O-CD 3.2Å; A51-R205 HydrophobicContact CB-CG 4.35Å; A51-R205 PolarHBondContact O-NE 3.09Å; A51-R205 PolarHBondContact O-NH1 3.17Å; A51-R205 PolarHBondContact O-NH2 3.04Å
52K75.2Confident80.7Confident30 Ų3063 Ų6313%0.1329%0.288CS..THydrogen-bonded Turntrans-68-8.2175.6-60.6-170.1171.1-171.70115.6V49 R50 P54 V55 L56 R205V49-K52 WeakPolarHBondContact O-CB 3.24Å; V49-K52 PolarHBondContact O-N 3.01Å; R50-K52 PolarHBondContact O-N 3.37Å; R50-K52 VanDerWaalsContact O-N 3.15Å; K52-P54 VanDerWaalsContact C-CD 3.43Å; K52-V55 PolarHBondContact O-N 2.98Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.29Å; K52-R205 VanDerWaalsContact CA-NH1 3.28Å
53K77.8Confident81.7Confident87 Ų8760.6 Ų60.638%0.37828%0.278SS..Hα-helixtrans-50.3-44.1-176.8-170177.2-172.3-95.40114.5L19 R50 A51 V55 L56 E57L19-K53 HydrophobicContact CD2-CD 3.98Å; L19-K53 HydrophobicContact CD2-CG 4.23Å; R50-K53 VanDerWaalsContact O-CB 3.25Å; R50-K53 WeakPolarHBondContact O-CB 3.4Å; R50-K53 PolarHBondContact O-N 3.07Å; A51-K53 PolarHBondContact O-N 2.83Å; K53-V55 PolarHBondContact O-N 3.32Å; K53-L56 WeakPolarHBondContact O-CA 3.5Å; K53-L56 WeakPolarHBondContact O-CB 3.42Å; K53-L56 PolarHBondContact O-N 3.01Å; K53-E57 WeakPolarHBondContact CE-OE1 3.26Å; K53-E57 HydrophobicContact CG-CG 4.34Å; K53-E57 IonicContact NZ-OE1 2.79Å; K53-E57 PolarHBondContact NZ-OE1 3.44Å; K53-E57 WeakPolarHBondContact O-CG 3.32Å; K53-E57 PolarHBondContact O-N 2.87Å
54P81Confident82.7Confident42 Ų4253.6 Ų53.627%0.27324%0.244SC..Hα-helixtrans-62-38.8-178-2537000113.9A51 K52 L56 E57 Q58 L198A51-P54 WeakPolarHBondContact O-CD 3.2Å; K52-P54 VanDerWaalsContact C-CD 3.43Å; P54-L56 VanDerWaalsContact C-N 3.3Å; P54-L56 PolarHBondContact O-N 2.83Å; P54-E57 PolarHBondContact O-N 3.05Å; P54-Q58 PolarHBondContact O-N 2.91Å; P54-L198 HydrophobicContact CB-CD1 3.67Å; P54-L198 HydrophobicContact CB-CD2 4.48Å
55V76.8Confident83.6Confident11 Ų1150.3 Ų50.37%0.06723%0.227CC..Hα-helixtrans-64.6-37.7173.3154.50000111.2K52 K53 Q58 S59 Y77 T94 L198 E202K52-V55 PolarHBondContact O-N 2.98Å; K53-V55 PolarHBondContact O-N 3.32Å; V55-Q58 PolarHBondContact O-N 3.22Å; V55-S59 VanDerWaalsContact O-CB 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.38Å; V55-S59 PolarHBondContact O-N 3.01Å; V55-S59 PolarHBondContact O-OG 3.32Å; V55-Y77 HydrophobicContact CB-CD2 4.38Å; V55-Y77 HydrophobicContact CB-CE2 4.46Å; V55-Y77 HydrophobicContact CG1-CD2 3.88Å; V55-Y77 HydrophobicContact CG1-CE2 4.41Å; V55-Y77 HydrophobicContact CG1-CG 3.97Å; V55-Y77 HydrophobicContact CG2-CD1 4.49Å; V55-Y77 HydrophobicContact CG2-CD2 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 4.2Å; V55-Y77 HydrophobicContact CG2-CE2 3.87Å; V55-Y77 HydrophobicContact CG2-CG 4.47Å; V55-T94 HydrophobicContact CG1-CG2 4.19Å; V55-L198 HydrophobicContact CG2-CD2 4.12Å; V55-L198 HydrophobicContact CG2-CG 4.43Å; V55-E202 HydrophobicContact CG2-CG 3.52Å; V55-E202 WeakPolarHBondContact CG2-OE1 3.22Å
56L78.1Confident84.5Confident19 Ų1950.3 Ų50.310%0.09923%0.228CC..Hα-helixtrans-67.9-38.4179-57.8174000112.3L19 Y22 K52 K53 P54 Q58 S59 A75L19-L56 HydrophobicContact CD1-CD1 4.1Å; Y22-L56 HydrophobicContact CD1-CD1 3.54Å; Y22-L56 HydrophobicContact CD1-CD2 4.4Å; Y22-L56 HydrophobicContact CE1-CD1 3.19Å; Y22-L56 HydrophobicContact CE1-CD2 3.39Å; Y22-L56 HydrophobicContact CE1-CG 3.89Å; Y22-L56 HydrophobicContact CE2-CD2 4.27Å; Y22-L56 WeakPolarHBondContact OH-CD2 3.42Å; K52-L56 WeakPolarHBondContact O-CG 3.4Å; K52-L56 PolarHBondContact O-N 3.29Å; K53-L56 WeakPolarHBondContact O-CA 3.5Å; K53-L56 WeakPolarHBondContact O-CB 3.42Å; K53-L56 PolarHBondContact O-N 3.01Å; P54-L56 VanDerWaalsContact C-N 3.3Å; P54-L56 PolarHBondContact O-N 2.83Å; L56-Q58 PolarHBondContact O-N 3.11Å; L56-S59 PolarHBondContact O-N 3.22Å; L56-S59 VanDerWaalsContact O-N 3.08Å; L56-A75 HydrophobicContact CD2-CB 4.39Å
57E83.3Confident85.2Confident114 Ų11444.9 Ų44.953%0.53322%0.223SC..Hα-helixtrans-63.4-31.6176.6-71.9174.5176.500112.2K53 P54K53-E57 WeakPolarHBondContact CE-OE1 3.26Å; K53-E57 HydrophobicContact CG-CG 4.34Å; K53-E57 IonicContact NZ-OE1 2.79Å; K53-E57 PolarHBondContact NZ-OE1 3.44Å; K53-E57 WeakPolarHBondContact O-CG 3.32Å; K53-E57 PolarHBondContact O-N 2.87Å; P54-E57 PolarHBondContact O-N 3.05Å
58Q85.8Confident86Confident107 Ų10747.5 Ų47.550%0.524%0.24SC..Hα-helixtrans-88.8-9.3174.5-62.3-17217.900113.6P54 V55 L56 Y77 P78 L198P54-Q58 PolarHBondContact O-N 2.91Å; V55-Q58 PolarHBondContact O-N 3.22Å; L56-Q58 PolarHBondContact O-N 3.11Å; Q58-Y77 HydrophobicContact CB-CD2 4.46Å; Q58-Y77 HydrophobicContact CB-CE2 4.14Å; Q58-P78 WeakPolarHBondContact O-CD 3.46Å; Q58-P78 WeakPolarHBondContact O-CG 3.44Å; Q58-L198 HydrophobicContact CG-CD2 4.2Å
59S91Very high87Confident14 Ų1452 Ų5210%0.09826%0.264CS..SBendtrans-92.9149.7-176.4-66.20000112V55 L56 I76 Y77V55-S59 VanDerWaalsContact O-CB 3.26Å; V55-S59 WeakPolarHBondContact O-CB 3.38Å; V55-S59 PolarHBondContact O-N 3.01Å; V55-S59 PolarHBondContact O-OG 3.32Å; L56-S59 PolarHBondContact O-N 3.22Å; L56-S59 VanDerWaalsContact O-N 3.08Å; S59-I76 CarbonylContact C-O 3.55Å; S59-I76 WeakPolarHBondContact CA-O 3.36Å; S59-I76 VanDerWaalsContact CB-O 3.32Å; S59-I76 WeakPolarHBondContact CB-O 3.49Å; S59-Y77 WeakPolarHBondContact OG-CA 3.47Å
60K94.4Very high88Confident86 Ų8652 Ų5237%0.37426%0.264SS..EExtended strand (participates in β ladder)trans-85.8116.4161.8-69.1-175.5179.3178.70108.9F62 I76 Q118 D122K60-F62 HydrophobicContact CB-CE2 4.11Å; K60-F62 HydrophobicContact CB-CZ 4.41Å; K60-I76 PolarHBondContact N-O 3.02Å; K60-I76 PolarHBondContact O-N 3.02Å; K60-Q118 HydrophobicContact CD-CG 3.56Å; K60-D122 WeakPolarHBondContact CD-OD2 3.4Å; K60-D122 VanDerWaalsContact CE-OD2 3.3Å; K60-D122 WeakPolarHBondContact CE-OD2 3.28Å; K60-D122 IonicContact NZ-OD1 2.63Å; K60-D122 PolarHBondContact NZ-OD1 3Å; K60-D122 IonicContact NZ-OD2 3.76Å; K60-D122 PolarHBondContact NZ-OD2 3.17Å
61V94.8Very high88.9Confident17 Ų1744.1 Ų44.110%0.10324%0.235CC..EExtended strand (participates in β ladder)trans-110.2132.5-175.1-167.10000110.4P13 V14 Y22 I74 A75P13-V61 WeakPolarHBondContact CA-O 3.27Å; V14-V61 HydrophobicContact CB-CB 4Å; V14-V61 HydrophobicContact CB-CG1 3.71Å; V14-V61 HydrophobicContact CG1-CG1 4.25Å; V14-V61 HydrophobicContact CG2-CG1 4.04Å; V14-V61 PolarHBondContact N-O 3.04Å; Y22-V61 HydrophobicContact CD2-CG1 3.84Å; Y22-V61 HydrophobicContact CE2-CG1 3.51Å; V61-I74 WeakPolarHBondContact CA-O 3.47Å; V61-I74 WeakPolarHBondContact CG1-O 3.4Å; V61-A75 HydrophobicContact CG1-CB 4.37Å; V61-A75 HydrophobicContact CG2-CB 3.97Å
62F96.9Very high89.8Confident10 Ų1043.1 Ų43.14%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-126.4149.6177.2-58.1-79.4000110.4P13 K60 Q73 I74 I76 L111 K114 Q118P13-F62 HydrophobicContact CB-CD1 4.44Å; P13-F62 HydrophobicContact CG-CD1 4.32Å; P13-F62 HydrophobicContact CG-CE1 4.18Å; K60-F62 HydrophobicContact CB-CE2 4.11Å; K60-F62 HydrophobicContact CB-CZ 4.41Å; F62-Q73 CarbonylContact O-C 3.47Å; F62-Q73 VanDerWaalsContact O-CA 3.28Å; F62-Q73 WeakPolarHBondContact O-CA 3.4Å; F62-I74 HydrophobicContact CB-CG2 4.03Å; F62-I74 PolarHBondContact N-O 3.13Å; F62-I74 PolarHBondContact O-N 2.82Å; F62-I76 HydrophobicContact CD2-CD1 4.33Å; F62-I76 HydrophobicContact CE2-CD1 3.84Å; F62-L111 HydrophobicContact CB-CD2 4.01Å; F62-K114 HydrophobicContact CD1-CG 3.97Å; F62-K114 HydrophobicContact CD2-CG 4.37Å; F62-K114 HydrophobicContact CE1-CG 4.19Å; F62-K114 HydrophobicContact CG-CG 4.07Å; F62-K114 HydrophobicContact CZ-CG 4.48Å; F62-Q118 HydrophobicContact CE2-CB 3.98Å; F62-Q118 HydrophobicContact CE2-CG 3.94Å; F62-Q118 HydrophobicContact CZ-CB 4.07Å; F62-Q118 HydrophobicContact CZ-CG 3.83Å
63G96.7Very high90.8Very high0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-154.4158-179.600000114.2L11 K12 S72L11-G63 WeakPolarHBondContact CA-O 3.4Å; K12-G63 PolarHBondContact N-O 2.94Å; K12-G63 PolarHBondContact O-N 3.23Å; G63-S72 CarbonylContact C-O 3.52Å; G63-S72 WeakPolarHBondContact CA-O 3.16Å
64W97.3Very high91.6Very high22 Ų2237.6 Ų37.68%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-91138.9165.7-78.5101.4000109.9L9 V10 L11 I71 S72 L107 D110L9-W64 HydrophobicContact CB-CE3 3.58Å; L9-W64 HydrophobicContact CB-CZ3 3.81Å; V10-W64 VanDerWaalsContact C-CE3 3.46Å; V10-W64 CarbonylContact O-C 3.6Å; V10-W64 WeakPolarHBondContact O-CA 3.24Å; L11-W64 HydrophobicContact CB-CD2 3.89Å; L11-W64 HydrophobicContact CB-CE3 3.8Å; L11-W64 HydrophobicContact CB-CH2 3.78Å; L11-W64 HydrophobicContact CB-CZ2 3.86Å; L11-W64 HydrophobicContact CB-CZ3 3.76Å; L11-W64 HydrophobicContact CD1-CD2 4.36Å; L11-W64 HydrophobicContact CD1-CH2 4.49Å; L11-W64 HydrophobicContact CD1-CZ2 3.76Å; L11-W64 HydrophobicContact CG-CZ2 4.45Å; W64-I71 HydrophobicContact CB-CD1 4.11Å; W64-I71 HydrophobicContact CB-CG1 3.82Å; W64-I71 WeakPolarHBondContact O-CG1 3.39Å; W64-I71 PolarHBondContact O-N 2.87Å; W64-S72 PolarHBondContact N-O 2.89Å; W64-S72 PolarHBondContact O-N 3.14Å; W64-L107 HydrophobicContact CB-CD1 4.5Å; W64-L107 HydrophobicContact CD2-CD2 3.97Å; W64-L107 HydrophobicContact CG-CB 4.21Å; W64-L107 HydrophobicContact CG-CD2 4Å; W64-L107 HydrophobicContact CG-CG 4.46Å; W64-L107 PolarHBondContact NE1-O 3.2Å; W64-D110 HydrophobicContact CZ2-CB 3.89Å; W64-D110 WeakPolarHBondContact CZ2-OD2 3.1Å
65F96.7Very high92.2Very high0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-120.1138.7178.3-69.7-102.2000110.9L9 V10 K12 V14 H18 N69 L70L9-F65 CarbonylContact C-O 3.57Å; L9-F65 VanDerWaalsContact CA-O 3.27Å; L9-F65 WeakPolarHBondContact CA-O 3.34Å; V10-F65 PolarHBondContact N-O 3.13Å; V10-F65 PolarHBondContact O-N 3.21Å; K12-F65 HydrophobicContact CD-CD2 3.97Å; K12-F65 HydrophobicContact CD-CE2 3.99Å; K12-F65 HydrophobicContact CD-CG 4.45Å; K12-F65 HydrophobicContact CD-CZ 4.49Å; K12-F65 VanDerWaalsContact CE-CZ 3.47Å; K12-F65 HydrophobicContact CG-CD2 3.43Å; K12-F65 VanDerWaalsContact CG-CD2 3.43Å; K12-F65 HydrophobicContact CG-CE2 3.4Å; K12-F65 VanDerWaalsContact CG-CE2 3.4Å; K12-F65 HydrophobicContact CG-CG 4.35Å; K12-F65 HydrophobicContact CG-CZ 4.3Å; V14-F65 HydrophobicContact CG2-CE2 4.1Å; V14-F65 HydrophobicContact CG2-CZ 4.13Å; H18-F65 AromaticContact CD2-CE1 3.39Å; H18-F65 WeakPolarHBondContact CD2-CE1 3.36Å; H18-F65 AromaticContact CD2-CZ 3.68Å; H18-F65 AromaticContact CG-CZ 3.91Å; H18-F65 AromaticContact NE2-CE1 3.61Å; H18-F65 AromaticContact NE2-CZ 3.75Å; F65-N69 CarbonylContact C-O 3.6Å; F65-N69 WeakPolarHBondContact CA-O 3.28Å; F65-L70 HydrophobicContact CD1-CB 4.23Å; F65-L70 HydrophobicContact CD2-CD1 4.25Å; F65-L70 HydrophobicContact CE1-CB 3.82Å; F65-L70 HydrophobicContact CE1-CD1 4.15Å; F65-L70 HydrophobicContact CE2-CD1 3.74Å; F65-L70 HydrophobicContact CZ-CB 4.2Å; F65-L70 HydrophobicContact CZ-CD1 3.7Å; F65-L70 HydrophobicContact CZ-CG 4.45Å
66H94.7Very high93.2Very high56 Ų5635.2 Ų35.226%0.25919%0.187SC..EExtended strand (participates in β ladder)trans-109.8101.4165.9-173.9-170.4000108L9 D68 N69 I71 Y102L9-H66 HydrophobicContact CD2-CB 3.61Å; H66-D68 PolarHBondContact O-N 3.07Å; H66-N69 PolarHBondContact N-O 3.36Å; H66-N69 PolarHBondContact O-N 3.28Å; H66-I71 HydrophobicContact CB-CD1 4.24Å; H66-I71 HydrophobicContact CB-CG2 3.89Å; H66-Y102 HydrophobicContact CB-CE1 4.05Å; H66-Y102 AromaticContact ND1-CE1 3.44Å; H66-Y102 WeakPolarHBondContact ND1-CE1 3.41Å; H66-Y102 AromaticContact ND1-CZ 3.64Å; H66-Y102 PolarHBondContact ND1-OH 3.15Å
67G92.3Very high93.9Very high52 Ų5235.3 Ų35.354%0.53619%0.186SC..THydrogen-bonded Turntrans63.5-125.5-163.400000110.6
68D92.3Very high94.5Very high134 Ų13432.5 Ų32.572%0.71718%0.178SC*.THydrogen-bonded Turntrans-89.8-2.5177.5-63.6-39.2000113.6Q21 H66Q21-D68 PolarHBondContact NE2-O 3.46Å; Q21-D68 PolarHBondContact OE1-O 2.94Å; H66-D68 PolarHBondContact O-N 3.07Å
69N94.3Very high95Very high100 Ų10027.8 Ų27.854%0.53516%0.157SC..EExtended strand (participates in β ladder)trans-92.5126.3-174.5-60.9-43.6000111.8F65 H66F65-N69 CarbonylContact C-O 3.6Å; F65-N69 WeakPolarHBondContact CA-O 3.28Å; H66-N69 PolarHBondContact N-O 3.36Å; H66-N69 PolarHBondContact O-N 3.28Å
70L95.9Very high95.3Very high2 Ų229.3 Ų29.31%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-74.8120172.5179.663.8000109.8V14 Q21 Y22 F65 S72 Q73 Y99V14-L70 HydrophobicContact CG1-CD2 4.09Å; V14-L70 HydrophobicContact CG2-CD1 3.9Å; V14-L70 HydrophobicContact CG2-CD2 4.38Å; Q21-L70 HydrophobicContact CB-CB 3.95Å; Q21-L70 HydrophobicContact CB-CD2 4.4Å; Y22-L70 HydrophobicContact CD2-CD2 4.42Å; F65-L70 HydrophobicContact CD1-CB 4.23Å; F65-L70 HydrophobicContact CD2-CD1 4.25Å; F65-L70 HydrophobicContact CE1-CB 3.82Å; F65-L70 HydrophobicContact CE1-CD1 4.15Å; F65-L70 HydrophobicContact CE2-CD1 3.74Å; F65-L70 HydrophobicContact CZ-CB 4.2Å; F65-L70 HydrophobicContact CZ-CD1 3.7Å; F65-L70 HydrophobicContact CZ-CG 4.45Å; L70-S72 WeakPolarHBondContact CD1-O 3.42Å; L70-Q73 HydrophobicContact CD1-CB 4.3Å; L70-Q73 HydrophobicContact CD2-CB 4.41Å; L70-Q73 VanDerWaalsContact CD2-OE1 3.23Å; L70-Y99 WeakPolarHBondContact O-CE2 3.33Å
71I95.7Very high95.5Very high3 Ų325.2 Ų25.22%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-115.2-18.8-171.758.3158.8000114.3L9 W64 H66 T98 Y99 Y102 L107L9-I71 HydrophobicContact CD1-CD1 3.96Å; L9-I71 HydrophobicContact CD2-CD1 3.74Å; L9-I71 HydrophobicContact CG-CD1 4.4Å; W64-I71 HydrophobicContact CB-CD1 4.11Å; W64-I71 HydrophobicContact CB-CG1 3.82Å; W64-I71 WeakPolarHBondContact O-CG1 3.39Å; W64-I71 PolarHBondContact O-N 2.87Å; H66-I71 HydrophobicContact CB-CD1 4.24Å; H66-I71 HydrophobicContact CB-CG2 3.89Å; I71-T98 WeakPolarHBondContact O-CA 3.17Å; I71-Y99 PolarHBondContact O-N 2.99Å; I71-Y102 HydrophobicContact CB-CD1 4.19Å; I71-Y102 HydrophobicContact CB-CD2 3.75Å; I71-Y102 HydrophobicContact CB-CE1 4.38Å; I71-Y102 HydrophobicContact CB-CE2 3.97Å; I71-Y102 HydrophobicContact CB-CG 3.88Å; I71-Y102 HydrophobicContact CD1-CD1 3.39Å; I71-Y102 HydrophobicContact CD1-CD2 4.47Å; I71-Y102 HydrophobicContact CD1-CE1 3.82Å; I71-Y102 HydrophobicContact CD1-CG 3.77Å; I71-Y102 HydrophobicContact CG1-CD1 4.38Å; I71-Y102 HydrophobicContact CG1-CG 4.4Å; I71-Y102 HydrophobicContact CG2-CD1 4.25Å; I71-Y102 HydrophobicContact CG2-CD2 3.8Å; I71-Y102 HydrophobicContact CG2-CE1 3.93Å; I71-Y102 HydrophobicContact CG2-CE2 3.45Å; I71-Y102 VanDerWaalsContact CG2-CE2 3.45Å; I71-Y102 HydrophobicContact CG2-CG 4.2Å; I71-L107 HydrophobicContact CD1-CD1 3.74Å
72S95.7Very high95.6Very high0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-155.6142.2179-169.70000108.7G63 W64 L70 G97 T98 L111G63-S72 CarbonylContact C-O 3.52Å; G63-S72 WeakPolarHBondContact CA-O 3.16Å; W64-S72 PolarHBondContact N-O 2.89Å; W64-S72 PolarHBondContact O-N 3.14Å; L70-S72 WeakPolarHBondContact CD1-O 3.42Å; S72-G97 CarbonylContact C-O 3.51Å; S72-G97 VanDerWaalsContact CA-O 3.25Å; S72-G97 WeakPolarHBondContact CA-O 3.37Å; S72-G97 PolarHBondContact OG-O 3.3Å; S72-T98 PolarHBondContact OG-OG1 3.24Å; S72-L111 VanDerWaalsContact OG-CD1 3.25Å; S72-L111 WeakPolarHBondContact OG-CD1 3.46Å
73Q95.2Very high95.7Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-149157-176.481.5-16114.800113.4Y22 L25 F62 L70 G95 V96 G97Y22-Q73 HydrophobicContact CD2-CB 4.35Å; Y22-Q73 HydrophobicContact CD2-CG 4.01Å; Y22-Q73 HydrophobicContact CE2-CB 4.29Å; Y22-Q73 HydrophobicContact CE2-CG 3.7Å; Y22-Q73 VanDerWaalsContact CZ-NE2 3.35Å; Y22-Q73 PolarHBondContact O-NE2 2.67Å; L25-Q73 HydrophobicContact CD2-CB 4.02Å; L25-Q73 HydrophobicContact CD2-CG 3.46Å; L25-Q73 VanDerWaalsContact CD2-CG 3.46Å; L25-Q73 VanDerWaalsContact CD2-OE1 3.23Å; F62-Q73 CarbonylContact O-C 3.47Å; F62-Q73 VanDerWaalsContact O-CA 3.28Å; F62-Q73 WeakPolarHBondContact O-CA 3.4Å; L70-Q73 HydrophobicContact CD1-CB 4.3Å; L70-Q73 HydrophobicContact CD2-CB 4.41Å; L70-Q73 VanDerWaalsContact CD2-OE1 3.23Å; Q73-G95 WeakPolarHBondContact CG-O 3.33Å; Q73-G95 PolarHBondContact NE2-O 3.11Å; Q73-V96 WeakPolarHBondContact O-CA 3.47Å; Q73-G97 PolarHBondContact N-O 3.46Å; Q73-G97 PolarHBondContact O-N 3.24Å; Q73-G97 VanDerWaalsContact O-N 3.14Å
74I95.1Very high95.5Very high1 Ų128.8 Ų28.81%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-144.3141.7172.3-169.7162.1000108.8V61 F62 V93 V96 L111 I112 A115V61-I74 WeakPolarHBondContact CA-O 3.47Å; V61-I74 WeakPolarHBondContact CG1-O 3.4Å; F62-I74 HydrophobicContact CB-CG2 4.03Å; F62-I74 PolarHBondContact N-O 3.13Å; F62-I74 PolarHBondContact O-N 2.82Å; I74-V93 HydrophobicContact CD1-CG1 3.77Å; I74-V93 HydrophobicContact CG1-CG1 3.9Å; I74-V96 HydrophobicContact CD1-CG2 4.48Å; I74-V96 HydrophobicContact CG1-CG2 4.14Å; I74-L111 HydrophobicContact CB-CB 4.27Å; I74-L111 HydrophobicContact CG2-CB 3.78Å; I74-L111 HydrophobicContact CG2-CD2 4.1Å; I74-L111 HydrophobicContact CG2-CG 4.36Å; I74-I112 HydrophobicContact CD1-CG1 4.01Å; I74-A115 HydrophobicContact CD1-CB 3.95Å; I74-A115 HydrophobicContact CG2-CB 4.43Å
75A94Very high95.3Very high0 Ų030.5 Ų30.50%019%0.185CC..EExtended strand (participates in β ladder)trans-120.2139.6173.500000110.4L56 V61 V93 T94L56-A75 HydrophobicContact CD2-CB 4.39Å; V61-A75 HydrophobicContact CG1-CB 4.37Å; V61-A75 HydrophobicContact CG2-CB 3.97Å; A75-V93 WeakPolarHBondContact O-CA 3.45Å; A75-T94 HydrophobicContact CB-CG2 3.86Å; A75-T94 PolarHBondContact N-O 3.27Å; A75-T94 PolarHBondContact O-N 2.89Å
76I96.3Very high95.2Very high3 Ų333.9 Ų33.92%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-111106.6174.9-49.7166.4000107.2S59 K60 F62 A115 Q118 M119S59-I76 CarbonylContact C-O 3.55Å; S59-I76 WeakPolarHBondContact CA-O 3.36Å; S59-I76 VanDerWaalsContact CB-O 3.32Å; S59-I76 WeakPolarHBondContact CB-O 3.49Å; K60-I76 PolarHBondContact N-O 3.02Å; K60-I76 PolarHBondContact O-N 3.02Å; F62-I76 HydrophobicContact CD2-CD1 4.33Å; F62-I76 HydrophobicContact CE2-CD1 3.84Å; I76-A115 HydrophobicContact CD1-CB 3.71Å; I76-A115 HydrophobicContact CG1-CB 3.94Å; I76-Q118 HydrophobicContact CD1-CB 3.82Å; I76-Q118 HydrophobicContact CD1-CG 4.09Å; I76-M119 HydrophobicContact CD1-CG 4.21Å; I76-M119 HydrophobicContact CG2-CG 3.72Å; I76-M119 HydrophobicContact CG2-SD 4.29Å
77Y94Very high95.3Very high21 Ų2134.5 Ų34.58%0.08220%0.204CC..EExtended strand (participates in β ladder)trans-91.2115.2178.2-179.8-128.4000109.7V55 Q58 S59 C79 G92 L198 N199V55-Y77 HydrophobicContact CB-CD2 4.38Å; V55-Y77 HydrophobicContact CB-CE2 4.46Å; V55-Y77 HydrophobicContact CG1-CD2 3.88Å; V55-Y77 HydrophobicContact CG1-CE2 4.41Å; V55-Y77 HydrophobicContact CG1-CG 3.97Å; V55-Y77 HydrophobicContact CG2-CD1 4.49Å; V55-Y77 HydrophobicContact CG2-CD2 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 4.2Å; V55-Y77 HydrophobicContact CG2-CE2 3.87Å; V55-Y77 HydrophobicContact CG2-CG 4.47Å; Q58-Y77 HydrophobicContact CB-CD2 4.46Å; Q58-Y77 HydrophobicContact CB-CE2 4.14Å; S59-Y77 WeakPolarHBondContact OG-CA 3.47Å; Y77-C79 WeakPolarHBondContact CD1-SG 3.34Å; Y77-C79 WeakPolarHBondContact CE1-SG 2.99Å; Y77-C79 PolarHBondContact O-N 2.92Å; Y77-G92 PolarHBondContact N-O 3.41Å; Y77-G92 WeakPolarHBondContact O-CA 3.16Å; Y77-G92 PolarHBondContact O-N 2.96Å; Y77-L198 HydrophobicContact CE2-CD2 4.09Å; Y77-N199 WeakPolarHBondContact CE1-ND2 3.39Å; Y77-N199 PolarHBondContact OH-ND2 3.37Å
78P95.4Very high95.5Very high54 Ų5432.2 Ų32.235%0.35118%0.179SC..EExtended strand (participates in β ladder)trans-70125.4-179.928.1-33.9000111Q58Q58-P78 WeakPolarHBondContact O-CD 3.46Å; Q58-P78 WeakPolarHBondContact O-CG 3.44Å
79C95.6Very high95.8Very high9 Ų930 Ų306%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-133.5172.1178.9-68.90000110.8Y77 M90 M193Y77-C79 WeakPolarHBondContact CD1-SG 3.34Å; Y77-C79 WeakPolarHBondContact CE1-SG 2.99Å; Y77-C79 PolarHBondContact O-N 2.92Å; C79-M90 HydrophobicContact CB-CB 4.35Å; C79-M90 HydrophobicContact CB-CE 3.4Å; C79-M90 HydrophobicContact CB-SD 4.18Å; C79-M90 PolarHBondContact N-O 3.12Å; C79-M90 PolarHBondContact O-N 3.39Å; C79-M193 HydrophobicContact CB-CE 4.34Å
80E97.4Very high96Very high45 Ų4525.3 Ų25.321%0.2114%0.14CC..EExtended strand (participates in β ladder)trans-126.6139.5169.5-174.8172.579.200109L87 F88 Q89 I194E80-L87 HydrophobicContact CG-CB 4.17Å; E80-F88 WeakPolarHBondContact CA-O 3.49Å; E80-Q89 PolarHBondContact OE2-NE2 3.02Å; E80-I194 HydrophobicContact CB-CB 4.19Å; E80-I194 HydrophobicContact CB-CG1 4.43Å; E80-I194 HydrophobicContact CG-CB 4.3Å; E80-I194 HydrophobicContact CG-CG1 4.06Å; E80-I194 PolarHBondContact O-N 3.27Å
81V98.4Very high96.1Very high1 Ų125.2 Ų25.21%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-134.9150.9-177.2-60.30000111I83 L87 F88 M90 I126 Y128 A192V81-I83 HydrophobicContact CG2-CD1 4.41Å; V81-I83 HydrophobicContact CG2-CG1 4.18Å; V81-L87 WeakPolarHBondContact O-CA 3.3Å; V81-F88 HydrophobicContact CG2-CB 4.22Å; V81-F88 PolarHBondContact N-O 3.41Å; V81-F88 PolarHBondContact O-N 3.02Å; V81-M90 HydrophobicContact CB-CB 4.41Å; V81-M90 HydrophobicContact CG1-CB 3.78Å; V81-M90 HydrophobicContact CG1-CE 3.67Å; V81-M90 HydrophobicContact CG1-CG 3.91Å; V81-M90 HydrophobicContact CG2-CB 3.83Å; V81-M90 HydrophobicContact CG2-CG 4.22Å; V81-I126 HydrophobicContact CG2-CG2 4.09Å; V81-Y128 HydrophobicContact CB-CE2 4.29Å; V81-Y128 HydrophobicContact CG1-CD2 4.16Å; V81-Y128 HydrophobicContact CG1-CE2 3.79Å; V81-Y128 HydrophobicContact CG2-CE2 4.48Å; V81-A192 CarbonylContact C-O 3.58Å; V81-A192 WeakPolarHBondContact CA-O 3.08Å
82N98Very high96.1Very high1 Ų125.6 Ų25.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-85.2123.9170.4177.51.2000110.8H84 G85 L87 A186 L187 N189 G191 A192N82-H84 PolarHBondContact OD1-N 2.95Å; N82-G85 VanDerWaalsContact OD1-CA 3.3Å; N82-G85 WeakPolarHBondContact OD1-CA 3.18Å; N82-G85 PolarHBondContact OD1-N 3.36Å; N82-L87 HydrophobicContact CB-CD2 4.43Å; N82-A186 WeakPolarHBondContact CB-O 3.45Å; N82-A186 PolarHBondContact ND2-O 3.28Å; N82-L187 PolarHBondContact ND2-O 2.85Å; N82-N189 PolarHBondContact ND2-O 2.82Å; N82-G191 WeakPolarHBondContact O-CA 3.38Å; N82-G191 PolarHBondContact O-N 2.71Å; N82-A192 PolarHBondContact N-O 2.71Å
83I97.9Very high96.1Very high2 Ų226.2 Ų26.21%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-116.8102.1167.4-58.6-171.6000108.4V81 G85 K86 F88 I126 F304 Y308 P309V81-I83 HydrophobicContact CG2-CD1 4.41Å; V81-I83 HydrophobicContact CG2-CG1 4.18Å; I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.88Å; I83-K86 PolarHBondContact N-O 2.98Å; I83-K86 PolarHBondContact O-N 3.27Å; I83-K86 VanDerWaalsContact O-N 3.07Å; I83-F88 HydrophobicContact CB-CD2 3.8Å; I83-F88 HydrophobicContact CB-CE2 4.02Å; I83-F88 HydrophobicContact CD1-CB 4.21Å; I83-F88 HydrophobicContact CD1-CD2 3.97Å; I83-F88 HydrophobicContact CD1-CE2 4.47Å; I83-F88 HydrophobicContact CD1-CG 3.98Å; I83-F88 HydrophobicContact CG1-CD2 4Å; I83-F88 HydrophobicContact CG1-CG 4.39Å; I83-F88 HydrophobicContact CG2-CE2 4.49Å; I83-I126 HydrophobicContact CD1-CB 4.48Å; I83-I126 HydrophobicContact CD1-CD1 3.59Å; I83-I126 HydrophobicContact CD1-CG2 4.11Å; I83-F304 HydrophobicContact CD1-CE2 3.61Å; I83-F304 HydrophobicContact CD1-CZ 3.94Å; I83-F304 HydrophobicContact CG2-CZ 4.45Å; I83-Y308 HydrophobicContact CG2-CD2 4.22Å; I83-Y308 HydrophobicContact CG2-CE2 3.88Å; I83-P309 WeakPolarHBondContact O-CG 3.47Å
84H94.2Very high95.9Very high98 Ų9828.5 Ų28.545%0.45416%0.162SC..THydrogen-bonded Turntrans52.740.6175.4-62.7-68.6000114.2N82 H190 Y308 P309N82-H84 PolarHBondContact OD1-N 2.95Å; H84-H190 AromaticContact CD2-CE1 3.74Å; H84-H190 AromaticContact CD2-ND1 3.32Å; H84-H190 PolarHBondContact CD2-ND1 2.81Å; H84-H190 VanDerWaalsContact CD2-ND1 3.32Å; H84-H190 AromaticContact CE1-CG 3.73Å; H84-H190 AromaticContact CE1-ND1 3.53Å; H84-H190 AromaticContact CG-ND1 3.61Å; H84-H190 PolarHBondContact N-ND1 3.4Å; H84-H190 AromaticContact ND1-CG 3.96Å; H84-H190 AromaticContact ND1-ND1 3.74Å; H84-H190 AromaticContact NE2-CE1 3.43Å; H84-H190 PolarHBondContact NE2-CE1 3.1Å; H84-H190 AromaticContact NE2-CG 3.9Å; H84-H190 AromaticContact NE2-ND1 3.25Å; H84-H190 PolarHBondContact NE2-ND1 3.26Å; H84-Y308 AromaticContact CD2-CZ 3.82Å; H84-Y308 PolarHBondContact CD2-OH 3.29Å; H84-Y308 PolarHBondContact NE2-OH 3.22Å; H84-P309 HydrophobicContact CB-CG 3.87Å
85G91.8Very high95.4Very high59 Ų5929 Ų2961%0.60817%0.167SC*.THydrogen-bonded Turntrans94.7-10.6178.700000114.4N82 I83N82-G85 VanDerWaalsContact OD1-CA 3.3Å; N82-G85 WeakPolarHBondContact OD1-CA 3.18Å; N82-G85 PolarHBondContact OD1-N 3.36Å; I83-G85 VanDerWaalsContact C-N 3.27Å; I83-G85 PolarHBondContact O-N 2.88Å
86K94.3Very high95.3Very high70 Ų7030.9 Ų30.930%0.30418%0.178SC..EExtended strand (participates in β ladder)trans-105.2137.1176.1-172175176.8177.20111.5I83 F88 E307 P309I83-K86 PolarHBondContact N-O 2.98Å; I83-K86 PolarHBondContact O-N 3.27Å; I83-K86 VanDerWaalsContact O-N 3.07Å; K86-F88 HydrophobicContact CB-CE2 4.1Å; K86-F88 HydrophobicContact CD-CE2 3.95Å; K86-F88 HydrophobicContact CD-CZ 4.43Å; K86-F88 HydrophobicContact CG-CD2 4.37Å; K86-F88 HydrophobicContact CG-CE2 3.99Å; K86-E307 WeakPolarHBondContact CD-O 3.39Å; K86-E307 WeakPolarHBondContact CE-O 3.41Å; K86-E307 WeakPolarHBondContact CE-OE2 3.46Å; K86-E307 VanDerWaalsContact NZ-CA 3.25Å; K86-E307 PolarHBondContact NZ-O 2.76Å; K86-E307 IonicContact NZ-OE2 3.73Å; K86-E307 PolarHBondContact NZ-OE2 2.91Å; K86-P309 HydrophobicContact CB-CB 4.32Å; K86-P309 HydrophobicContact CB-CG 3.91Å
87L97.1Very high95.1Very high69 Ų6931 Ų3136%0.36118%0.18SC..EExtended strand (participates in β ladder)trans-80.5133.8176.7-57.9-176.1000111E80 V81 N82 L187 I194E80-L87 HydrophobicContact CG-CB 4.17Å; V81-L87 WeakPolarHBondContact O-CA 3.3Å; N82-L87 HydrophobicContact CB-CD2 4.43Å; L87-L187 HydrophobicContact CD2-CD2 3.95Å; L87-I194 HydrophobicContact CD2-CD1 3.79Å; L87-I194 HydrophobicContact CD2-CG1 3.71Å
88F98Very high95.1Very high4 Ų431.3 Ų31.32%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-124.1138.7176.1-83.1-104.3000110.5E80 V81 I83 K86 M90 W125 I126 F304 E307E80-F88 WeakPolarHBondContact CA-O 3.49Å; V81-F88 HydrophobicContact CG2-CB 4.22Å; V81-F88 PolarHBondContact N-O 3.41Å; V81-F88 PolarHBondContact O-N 3.02Å; I83-F88 HydrophobicContact CB-CD2 3.8Å; I83-F88 HydrophobicContact CB-CE2 4.02Å; I83-F88 HydrophobicContact CD1-CB 4.21Å; I83-F88 HydrophobicContact CD1-CD2 3.97Å; I83-F88 HydrophobicContact CD1-CE2 4.47Å; I83-F88 HydrophobicContact CD1-CG 3.98Å; I83-F88 HydrophobicContact CG1-CD2 4Å; I83-F88 HydrophobicContact CG1-CG 4.39Å; I83-F88 HydrophobicContact CG2-CE2 4.49Å; K86-F88 HydrophobicContact CB-CE2 4.1Å; K86-F88 HydrophobicContact CD-CE2 3.95Å; K86-F88 HydrophobicContact CD-CZ 4.43Å; K86-F88 HydrophobicContact CG-CD2 4.37Å; K86-F88 HydrophobicContact CG-CE2 3.99Å; F88-M90 PolarHBondContact O-N 3.03Å; F88-W125 HydrophobicContact CD1-CB 4.38Å; F88-I126 HydrophobicContact CB-CG2 4.27Å; F88-F304 HydrophobicContact CD1-CD2 4.06Å; F88-F304 HydrophobicContact CD1-CE2 4.14Å; F88-F304 AromaticContact CE1-CD2 3.68Å; F88-F304 HydrophobicContact CE1-CD2 3.68Å; F88-F304 AromaticContact CE1-CE2 3.9Å; F88-F304 HydrophobicContact CE1-CE2 3.9Å; F88-F304 HydrophobicContact CE1-CG 4.42Å; F88-F304 HydrophobicContact CZ-CD2 4.42Å; F88-F304 HydrophobicContact CZ-CE2 4.33Å; F88-E307 HydrophobicContact CE1-CB 3.68Å; F88-E307 HydrophobicContact CZ-CB 3.53Å
89Q98Very high95Very high87 Ų8730.2 Ų30.241%0.40717%0.173SC..EExtended strand (participates in β ladder)trans-68.2126.6165-62.1-55.7-45.200109.1E80 Q124 W125E80-Q89 PolarHBondContact OE2-NE2 3.02Å; Q89-Q124 HydrophobicContact CB-CG 4.14Å; Q89-Q124 WeakPolarHBondContact O-CA 3.41Å; Q89-W125 PolarHBondContact O-N 3.35Å
90M98.2Very high94.8Very high3 Ų333.1 Ų33.12%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-121.7130.6-173.6-176.5-82.8-77.600110.7C79 V81 F88 G92 I126 Y128 M193C79-M90 HydrophobicContact CB-CB 4.35Å; C79-M90 HydrophobicContact CB-CE 3.4Å; C79-M90 HydrophobicContact CB-SD 4.18Å; C79-M90 PolarHBondContact N-O 3.12Å; C79-M90 PolarHBondContact O-N 3.39Å; V81-M90 HydrophobicContact CB-CB 4.41Å; V81-M90 HydrophobicContact CG1-CB 3.78Å; V81-M90 HydrophobicContact CG1-CE 3.67Å; V81-M90 HydrophobicContact CG1-CG 3.91Å; V81-M90 HydrophobicContact CG2-CB 3.83Å; V81-M90 HydrophobicContact CG2-CG 4.22Å; F88-M90 PolarHBondContact O-N 3.03Å; M90-G92 PolarHBondContact SD-N 2.91Å; M90-I126 CarbonylContact C-O 3.57Å; M90-I126 VanDerWaalsContact CA-O 3.28Å; M90-I126 WeakPolarHBondContact CA-O 3.37Å; M90-I126 HydrophobicContact CB-CG2 3.97Å; M90-I126 HydrophobicContact CG-CG2 3.94Å; M90-Y128 HydrophobicContact CE-CD2 3.88Å; M90-Y128 HydrophobicContact CE-CG 4.06Å; M90-Y128 HydrophobicContact CG-CD1 4.16Å; M90-Y128 HydrophobicContact CG-CD2 4.33Å; M90-Y128 HydrophobicContact CG-CG 3.99Å; M90-Y128 HydrophobicContact SD-CD2 4.4Å; M90-Y128 HydrophobicContact SD-CG 4Å; M90-Y128 PolarHBondContact SD-N 2.7Å; M90-M193 HydrophobicContact CE-CE 3.94Å
91G97.7Very high94.6Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-90.5104.7172.600000111.5V93 I126 S127 Y128G91-V93 PolarHBondContact O-N 3.43Å; G91-I126 PolarHBondContact N-O 3.45Å; G91-S127 WeakPolarHBondContact O-CA 3.31Å; G91-S127 VanDerWaalsContact O-CB 3.31Å; G91-S127 WeakPolarHBondContact O-CB 3.44Å; G91-S127 PolarHBondContact O-OG 3.37Å; G91-Y128 PolarHBondContact O-N 3.38Å
92G96.1Very high94.3Very high11 Ų1138.6 Ų38.611%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-79.7108.6178.300000111.6Y77 M90 T94 Y128Y77-G92 PolarHBondContact N-O 3.41Å; Y77-G92 WeakPolarHBondContact O-CA 3.16Å; Y77-G92 PolarHBondContact O-N 2.96Å; M90-G92 PolarHBondContact SD-N 2.91Å; G92-T94 PolarHBondContact O-N 3.34Å; G92-Y128 WeakPolarHBondContact CA-O 3.23Å
93V95.1Very high93.7Very high13 Ų1340.3 Ų40.38%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-79.8117.1178.2173.50000109.7I74 A75 G91 V96 M119 Y128 L129 W142I74-V93 HydrophobicContact CD1-CG1 3.77Å; I74-V93 HydrophobicContact CG1-CG1 3.9Å; A75-V93 WeakPolarHBondContact O-CA 3.45Å; G91-V93 PolarHBondContact O-N 3.43Å; V93-V96 HydrophobicContact CG1-CG2 3.66Å; V93-M119 HydrophobicContact CG2-CE 3.99Å; V93-Y128 PolarHBondContact N-O 3.22Å; V93-L129 HydrophobicContact CB-CB 4.07Å; V93-W142 HydrophobicContact CG2-CZ2 4Å
94T90.5Very high93Very high48 Ų4848.2 Ų48.229%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-137.4175.6179.9-168.90000111V55 A75 G92 V96V55-T94 HydrophobicContact CG1-CG2 4.19Å; A75-T94 HydrophobicContact CB-CG2 3.86Å; A75-T94 PolarHBondContact N-O 3.27Å; A75-T94 PolarHBondContact O-N 2.89Å; G92-T94 PolarHBondContact O-N 3.34Å; T94-V96 PolarHBondContact O-N 2.93Å; T94-V96 VanDerWaalsContact O-N 3.1Å
95G86.4Confident92.8Very high11 Ų1146.3 Ų46.311%0.11326%0.264CS..EExtended strand (participates in β ladder)trans66.319.1171.100000115.1Y22 Q73 G97Y22-G95 VanDerWaalsContact OH-CA 3.24Å; Y22-G95 WeakPolarHBondContact OH-CA 3.31Å; Q73-G95 WeakPolarHBondContact CG-O 3.33Å; Q73-G95 PolarHBondContact NE2-O 3.11Å; G95-G97 PolarHBondContact O-N 2.94Å
96V91Very high92.7Very high39 Ų3945.1 Ų45.124%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-70.2124.2-174.6-177.90000110.2Q73 I74 V93 T94 M108Q73-V96 WeakPolarHBondContact O-CA 3.47Å; I74-V96 HydrophobicContact CD1-CG2 4.48Å; I74-V96 HydrophobicContact CG1-CG2 4.14Å; V93-V96 HydrophobicContact CG1-CG2 3.66Å; T94-V96 PolarHBondContact O-N 2.93Å; T94-V96 VanDerWaalsContact O-N 3.1Å; V96-M108 HydrophobicContact CG1-CE 3.37Å; V96-M108 HydrophobicContact CG1-CG 4.39Å; V96-M108 HydrophobicContact CG1-SD 3.53Å; V96-M108 VanDerWaalsContact CG1-SD 3.53Å
97G91.6Very high92.7Very high5 Ų542 Ų425%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-157.4152.9179.600000113.2S72 Q73 G95 M108S72-G97 CarbonylContact C-O 3.51Å; S72-G97 VanDerWaalsContact CA-O 3.25Å; S72-G97 WeakPolarHBondContact CA-O 3.37Å; S72-G97 PolarHBondContact OG-O 3.3Å; Q73-G97 PolarHBondContact N-O 3.46Å; Q73-G97 PolarHBondContact O-N 3.24Å; Q73-G97 VanDerWaalsContact O-N 3.14Å; G95-G97 PolarHBondContact O-N 2.94Å; G97-M108 WeakPolarHBondContact O-CE 3.43Å
98T93.7Very high92.5Very high29 Ų2939.5 Ų39.518%0.17823%0.226CC..EExtended strand (participates in β ladder)trans-149.6130.6170.3-56.20000108V29 I71 S72 L107 M108V29-T98 WeakPolarHBondContact CG1-O 3.44Å; I71-T98 WeakPolarHBondContact O-CA 3.17Å; S72-T98 PolarHBondContact OG-OG1 3.24Å; T98-L107 HydrophobicContact CG2-CD1 4.48Å; T98-M108 WeakPolarHBondContact OG1-CE 3.23Å
99Y94Very high92.3Very high30 Ų3044.1 Ų44.112%0.11825%0.245CC..  trans-60.2135.9174.1-81.6-56.5000109.6E24 L25 Y28 L70 I71 E101 Y102 A103E24-Y99 WeakPolarHBondContact CG-OH 3.31Å; L25-Y99 HydrophobicContact CB-CE2 4.42Å; L25-Y99 HydrophobicContact CD1-CD1 3.87Å; L25-Y99 HydrophobicContact CD1-CD2 3.24Å; L25-Y99 HydrophobicContact CD1-CE1 3.93Å; L25-Y99 HydrophobicContact CD1-CE2 3.3Å; L25-Y99 HydrophobicContact CD1-CG 3.51Å; L25-Y99 HydrophobicContact CG-CE2 4.45Å; L25-Y99 PolarHBondContact N-OH 2.85Å; Y28-Y99 HydrophobicContact CD1-CD1 4.03Å; Y28-Y99 HydrophobicContact CD1-CE1 4.23Å; Y28-Y99 HydrophobicContact CD2-CE1 4.22Å; Y28-Y99 HydrophobicContact CE1-CD1 4.46Å; Y28-Y99 HydrophobicContact CG-CD1 4.12Å; Y28-Y99 AromaticContact CG-CE1 3.85Å; Y28-Y99 HydrophobicContact CG-CE1 3.85Å; L70-Y99 WeakPolarHBondContact O-CE2 3.33Å; I71-Y99 PolarHBondContact O-N 2.99Å; Y99-E101 VanDerWaalsContact C-N 3.26Å; Y99-E101 PolarHBondContact O-N 2.95Å; Y99-E101 VanDerWaalsContact O-N 3.16Å; Y99-Y102 PolarHBondContact O-N 3.02Å; Y99-A103 PolarHBondContact O-N 3.26Å
100P91.9Very high92.1Very high70 Ų7042.1 Ų42.146%0.45524%0.238SC..G310 helixtrans-55.6-35.5-171.6-27.834.6000114.8Y28 Y102 A103Y28-P100 VanDerWaalsContact CE1-CD 3.47Å; Y28-P100 HydrophobicContact CE1-CG 3.65Å; P100-Y102 PolarHBondContact O-N 3.35Å; P100-A103 VanDerWaalsContact O-CB 3.26Å; P100-A103 WeakPolarHBondContact O-CB 3.22Å; P100-A103 PolarHBondContact O-N 2.63Å; P100-A103 VanDerWaalsContact O-N 3.1Å
101E91.9Very high92.1Very high124 Ų12442 Ų4258%0.57924%0.237SC*.G310 helixtrans-66.7-17.1178.162.6-90.5-148.700113.6Y99Y99-E101 VanDerWaalsContact C-N 3.26Å; Y99-E101 PolarHBondContact O-N 2.95Å; Y99-E101 VanDerWaalsContact O-N 3.16Å
102Y92.2Very high92Very high37 Ų3742 Ų4215%0.14524%0.237CC..G310 helixtrans-103.9-3.6173.9-60.5-85.4000113F5 H66 I71 Y99 P100 H105F5-Y102 AromaticContact CE1-CD1 3.99Å; F5-Y102 HydrophobicContact CE1-CD1 3.99Å; F5-Y102 HydrophobicContact CE1-CE1 4.47Å; F5-Y102 AromaticContact CZ-CD1 3.61Å; F5-Y102 HydrophobicContact CZ-CD1 3.61Å; F5-Y102 AromaticContact CZ-CE1 3.66Å; F5-Y102 HydrophobicContact CZ-CE1 3.66Å; H66-Y102 HydrophobicContact CB-CE1 4.05Å; H66-Y102 AromaticContact ND1-CE1 3.44Å; H66-Y102 WeakPolarHBondContact ND1-CE1 3.41Å; H66-Y102 AromaticContact ND1-CZ 3.64Å; H66-Y102 PolarHBondContact ND1-OH 3.15Å; I71-Y102 HydrophobicContact CB-CD1 4.19Å; I71-Y102 HydrophobicContact CB-CD2 3.75Å; I71-Y102 HydrophobicContact CB-CE1 4.38Å; I71-Y102 HydrophobicContact CB-CE2 3.97Å; I71-Y102 HydrophobicContact CB-CG 3.88Å; I71-Y102 HydrophobicContact CD1-CD1 3.39Å; I71-Y102 HydrophobicContact CD1-CD2 4.47Å; I71-Y102 HydrophobicContact CD1-CE1 3.82Å; I71-Y102 HydrophobicContact CD1-CG 3.77Å; I71-Y102 HydrophobicContact CG1-CD1 4.38Å; I71-Y102 HydrophobicContact CG1-CG 4.4Å; I71-Y102 HydrophobicContact CG2-CD1 4.25Å; I71-Y102 HydrophobicContact CG2-CD2 3.8Å; I71-Y102 HydrophobicContact CG2-CE1 3.93Å; I71-Y102 HydrophobicContact CG2-CE2 3.45Å; I71-Y102 VanDerWaalsContact CG2-CE2 3.45Å; I71-Y102 HydrophobicContact CG2-CG 4.2Å; Y99-Y102 PolarHBondContact O-N 3.02Å; P100-Y102 PolarHBondContact O-N 3.35Å; Y102-H105 PolarHBondContact O-ND1 3.27Å
103A85.5Confident92.1Very high38 Ų3845.3 Ų45.331%0.31425%0.248SC..THydrogen-bonded Turntrans-62.3161.7176.400000111.4Y99 P100 H105Y99-A103 PolarHBondContact O-N 3.26Å; P100-A103 VanDerWaalsContact O-CB 3.26Å; P100-A103 WeakPolarHBondContact O-CB 3.22Å; P100-A103 PolarHBondContact O-N 2.63Å; P100-A103 VanDerWaalsContact O-N 3.1Å; A103-H105 VanDerWaalsContact C-N 3.26Å; A103-H105 PolarHBondContact O-N 2.92Å; A103-H105 PolarHBondContact O-ND1 3.15Å; A103-H105 VanDerWaalsContact O-ND1 3.08Å
104N85Confident92.2Very high168 Ų16847.7 Ų47.790%0.89826%0.258SS*.THydrogen-bonded Turntrans68.5-0.7-178.5-59.3-42.4000117.8G106N104-G106 VanDerWaalsContact C-N 3.29Å; N104-G106 PolarHBondContact O-N 3.37Å
105H88.5Confident92.6Very high57 Ų5745.4 Ų45.426%0.26424%0.244SC..SBendtrans-87.710.9173.5-57.690.6000114.2D2 F5 Y102 A103 L107D2-H105 IonicContact OD1-CD2 3Å; F5-H105 AromaticContact CD1-CD2 3.66Å; F5-H105 AromaticContact CD1-NE2 3.83Å; Y102-H105 PolarHBondContact O-ND1 3.27Å; A103-H105 VanDerWaalsContact C-N 3.26Å; A103-H105 PolarHBondContact O-N 2.92Å; A103-H105 PolarHBondContact O-ND1 3.15Å; A103-H105 VanDerWaalsContact O-ND1 3.08Å; H105-L107 HydrophobicContact CB-CD2 4.38Å; H105-L107 HydrophobicContact CB-CG 4.17Å; H105-L107 PolarHBondContact O-N 2.76Å
106G89.9Confident93.1Very high34 Ų3444.9 Ų44.935%0.35124%0.239SC..SBendtrans72.38.8-179.900000115.5N104 M108 K109 D110N104-G106 VanDerWaalsContact C-N 3.29Å; N104-G106 PolarHBondContact O-N 3.37Å; G106-M108 VanDerWaalsContact C-N 3.31Å; G106-M108 PolarHBondContact O-N 3.35Å; G106-K109 VanDerWaalsContact O-CB 3.27Å; G106-K109 WeakPolarHBondContact O-CB 3.37Å; G106-K109 PolarHBondContact O-N 3.2Å; G106-D110 PolarHBondContact O-N 2.76Å
107L94Very high93.5Very high4 Ų445 Ų452%0.02124%0.239CC..Hα-helixtrans-52.4-46.6-177-59.5-175.9000113.2L9 W64 I71 T98 H105 K109 D110 L111L9-L107 HydrophobicContact CD1-CD1 4.27Å; L9-L107 HydrophobicContact CD1-CD2 3.62Å; W64-L107 HydrophobicContact CB-CD1 4.5Å; W64-L107 HydrophobicContact CD2-CD2 3.97Å; W64-L107 HydrophobicContact CG-CB 4.21Å; W64-L107 HydrophobicContact CG-CD2 4Å; W64-L107 HydrophobicContact CG-CG 4.46Å; W64-L107 PolarHBondContact NE1-O 3.2Å; I71-L107 HydrophobicContact CD1-CD1 3.74Å; T98-L107 HydrophobicContact CG2-CD1 4.48Å; H105-L107 HydrophobicContact CB-CD2 4.38Å; H105-L107 HydrophobicContact CB-CG 4.17Å; H105-L107 PolarHBondContact O-N 2.76Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.14Å; L107-D110 PolarHBondContact O-N 3.2Å; L107-D110 VanDerWaalsContact O-N 3.16Å; L107-L111 PolarHBondContact O-N 3.09Å; L107-L111 VanDerWaalsContact O-N 3.07Å
108M93.7Very high93.8Very high18 Ų1845.8 Ų45.89%0.08924%0.241CC..Hα-helixtrans-66.9-28.1180-173.756.462.300113V96 G97 T98 G106 D110 L111 I112 Y136V96-M108 HydrophobicContact CG1-CE 3.37Å; V96-M108 HydrophobicContact CG1-CG 4.39Å; V96-M108 HydrophobicContact CG1-SD 3.53Å; V96-M108 VanDerWaalsContact CG1-SD 3.53Å; G97-M108 WeakPolarHBondContact O-CE 3.43Å; T98-M108 WeakPolarHBondContact OG1-CE 3.23Å; G106-M108 VanDerWaalsContact C-N 3.31Å; G106-M108 PolarHBondContact O-N 3.35Å; M108-D110 VanDerWaalsContact C-N 3.31Å; M108-L111 HydrophobicContact CE-CD1 4.11Å; M108-L111 PolarHBondContact O-N 3.42Å; M108-L111 HydrophobicContact SD-CB 4.22Å; M108-L111 HydrophobicContact SD-CD1 4.27Å; M108-I112 HydrophobicContact CG-CD1 4.19Å; M108-I112 WeakPolarHBondContact O-CB 3.3Å; M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 2.8Å; M108-I112 HydrophobicContact SD-CG1 4.44Å; M108-Y136 VanDerWaalsContact CB-OH 3.29Å; M108-Y136 WeakPolarHBondContact CB-OH 3.46Å; M108-Y136 HydrophobicContact CG-CE1 3.99Å; M108-Y136 WeakPolarHBondContact CG-OH 3.32Å
109K93.2Very high94Very high100 Ų10044.4 Ų44.444%0.43523%0.233SC..Hα-helixtrans-63.3-41.9173.8-177.2-172.1174-175.30110.3G106 L107 I112 K113 K140G106-K109 VanDerWaalsContact O-CB 3.27Å; G106-K109 WeakPolarHBondContact O-CB 3.37Å; G106-K109 PolarHBondContact O-N 3.2Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.14Å; K109-I112 PolarHBondContact O-N 2.94Å; K109-K113 PolarHBondContact O-N 3.49Å; K109-K140 HydrophobicContact CG-CD 4.44Å
110D94.7Very high94.2Very high45 Ų4547.5 Ų47.524%0.24125%0.245CC..Hα-helixtrans-72.7-37.4-179.3-57.3-26000111.7K6 L11 W64 G106 L107 M108 K113 K114K6-D110 WeakPolarHBondContact CE-OD2 3.45Å; K6-D110 IonicContact NZ-OD1 3.3Å; K6-D110 IonicContact NZ-OD2 2.75Å; K6-D110 PolarHBondContact NZ-OD2 3.04Å; L11-D110 HydrophobicContact CD1-CB 4.26Å; W64-D110 HydrophobicContact CZ2-CB 3.89Å; W64-D110 WeakPolarHBondContact CZ2-OD2 3.1Å; G106-D110 PolarHBondContact O-N 2.76Å; L107-D110 PolarHBondContact O-N 3.2Å; L107-D110 VanDerWaalsContact O-N 3.16Å; M108-D110 VanDerWaalsContact C-N 3.31Å; D110-K113 PolarHBondContact O-N 3.02Å; D110-K114 PolarHBondContact O-N 2.96Å
111L96.8Very high94.5Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-60.8-44.3172.3-74.5174.9000111.7L11 F62 S72 I74 L107 M108 K113 K114 A115L11-L111 HydrophobicContact CD1-CD2 3.97Å; L11-L111 HydrophobicContact CG-CD2 4.36Å; F62-L111 HydrophobicContact CB-CD2 4.01Å; S72-L111 VanDerWaalsContact OG-CD1 3.25Å; S72-L111 WeakPolarHBondContact OG-CD1 3.46Å; I74-L111 HydrophobicContact CB-CB 4.27Å; I74-L111 HydrophobicContact CG2-CB 3.78Å; I74-L111 HydrophobicContact CG2-CD2 4.1Å; I74-L111 HydrophobicContact CG2-CG 4.36Å; L107-L111 PolarHBondContact O-N 3.09Å; L107-L111 VanDerWaalsContact O-N 3.07Å; M108-L111 HydrophobicContact CE-CD1 4.11Å; M108-L111 PolarHBondContact O-N 3.42Å; M108-L111 HydrophobicContact SD-CB 4.22Å; M108-L111 HydrophobicContact SD-CD1 4.27Å; L111-K113 PolarHBondContact O-N 2.99Å; L111-K114 PolarHBondContact O-N 3.39Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.82Å
112I96.9Very high94.8Very high2 Ų246.3 Ų46.31%0.0124%0.235CC..Hα-helixtrans-61.4-43.6173.8-71.2170.3000110.9I74 M108 K109 K114 A115 L116 Y136 K140 W142 V325I74-I112 HydrophobicContact CD1-CG1 4.01Å; M108-I112 HydrophobicContact CG-CD1 4.19Å; M108-I112 WeakPolarHBondContact O-CB 3.3Å; M108-I112 VanDerWaalsContact O-CG1 3.26Å; M108-I112 WeakPolarHBondContact O-CG1 3.21Å; M108-I112 PolarHBondContact O-N 2.8Å; M108-I112 HydrophobicContact SD-CG1 4.44Å; K109-I112 PolarHBondContact O-N 2.94Å; I112-K114 PolarHBondContact O-N 3.48Å; I112-A115 PolarHBondContact O-N 2.84Å; I112-L116 HydrophobicContact CG2-CD1 3.95Å; I112-L116 HydrophobicContact CG2-CG 4.43Å; I112-L116 WeakPolarHBondContact O-CG 3.3Å; I112-L116 PolarHBondContact O-N 2.88Å; I112-Y136 HydrophobicContact CD1-CE1 4.02Å; I112-K140 HydrophobicContact CD1-CB 4.23Å; I112-K140 HydrophobicContact CD1-CG 3.85Å; I112-K140 HydrophobicContact CG2-CB 4.43Å; I112-W142 HydrophobicContact CG2-CH2 3.88Å; I112-W142 HydrophobicContact CG2-CZ3 3.66Å; I112-V325 HydrophobicContact CG2-CG1 4.25Å
113K97.2Very high95.1Very high79 Ų7950.6 Ų50.634%0.34326%0.256SS..Hα-helixtrans-60.3-46.5176.6-174.8169.8179.4169.70111.1K109 D110 L111 A115 L116 V117 V325 E327K109-K113 PolarHBondContact O-N 3.49Å; D110-K113 PolarHBondContact O-N 3.02Å; L111-K113 PolarHBondContact O-N 2.99Å; K113-A115 VanDerWaalsContact C-N 3.32Å; K113-A115 PolarHBondContact O-N 3.18Å; K113-L116 PolarHBondContact O-N 3.29Å; K113-V117 WeakPolarHBondContact O-CG2 3.44Å; K113-V117 PolarHBondContact O-N 2.71Å; K113-V117 VanDerWaalsContact O-N 3.07Å; K113-V325 HydrophobicContact CB-CG1 3.97Å; K113-V325 HydrophobicContact CG-CG1 4.4Å; K113-E327 IonicContact NZ-OE1 3.88Å; K113-E327 PolarHBondContact NZ-OE1 3.29Å
114K97.5Very high95.7Very high63 Ų6349.2 Ų49.227%0.27424%0.243SC..Hα-helixtrans-62.4-39.8176178.756.5-178.3157.50111.7L11 F62 D110 L111 I112 V117 Q118L11-K114 HydrophobicContact CD2-CB 4.47Å; L11-K114 HydrophobicContact CD2-CG 4.19Å; F62-K114 HydrophobicContact CD1-CG 3.97Å; F62-K114 HydrophobicContact CD2-CG 4.37Å; F62-K114 HydrophobicContact CE1-CG 4.19Å; F62-K114 HydrophobicContact CG-CG 4.07Å; F62-K114 HydrophobicContact CZ-CG 4.48Å; D110-K114 PolarHBondContact O-N 2.96Å; L111-K114 PolarHBondContact O-N 3.39Å; I112-K114 PolarHBondContact O-N 3.48Å; K114-V117 PolarHBondContact O-N 3.15Å; K114-Q118 PolarHBondContact O-N 3.22Å
115A98Very high96.3Very high1 Ų142.2 Ų42.21%0.00820%0.204CC..Hα-helixtrans-64.3-43.4178.100000112.2I74 I76 L111 I112 K113 V117 Q118 M119I74-A115 HydrophobicContact CD1-CB 3.95Å; I74-A115 HydrophobicContact CG2-CB 4.43Å; I76-A115 HydrophobicContact CD1-CB 3.71Å; I76-A115 HydrophobicContact CG1-CB 3.94Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.82Å; I112-A115 PolarHBondContact O-N 2.84Å; K113-A115 VanDerWaalsContact C-N 3.32Å; K113-A115 PolarHBondContact O-N 3.18Å; A115-V117 PolarHBondContact O-N 3.17Å; A115-Q118 PolarHBondContact O-N 2.99Å; A115-M119 HydrophobicContact CB-CE 4.06Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 3.15Å
116L98.4Very high96.8Very high0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-64.1-38.7175.8-69.5166.6000112.6I112 K113 Q118 M119 R120 W142 V299 V325 W328I112-L116 HydrophobicContact CG2-CD1 3.95Å; I112-L116 HydrophobicContact CG2-CG 4.43Å; I112-L116 WeakPolarHBondContact O-CG 3.3Å; I112-L116 PolarHBondContact O-N 2.88Å; K113-L116 PolarHBondContact O-N 3.29Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-M119 HydrophobicContact CD2-CE 3.81Å; L116-M119 HydrophobicContact CG-CE 4.25Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.32Å; L116-W142 HydrophobicContact CD2-CH2 4.07Å; L116-W142 HydrophobicContact CG-CH2 4.41Å; L116-V299 HydrophobicContact CD2-CG1 4.42Å; L116-V299 HydrophobicContact CD2-CG2 4.16Å; L116-V325 HydrophobicContact CD1-CB 3.99Å; L116-V325 HydrophobicContact CD1-CG1 3.64Å; L116-W328 HydrophobicContact CB-CH2 4.08Å; L116-W328 HydrophobicContact CB-CZ2 4.06Å
117V98.2Very high97.2Very high42 Ų4238.4 Ų38.426%0.25518%0.177SC..Hα-helixtrans-61.1-45.4172.4172.20000110.3K113 K114 A115 R120 E121 W328K113-V117 WeakPolarHBondContact O-CG2 3.44Å; K113-V117 PolarHBondContact O-N 2.71Å; K113-V117 VanDerWaalsContact O-N 3.07Å; K114-V117 PolarHBondContact O-N 3.15Å; A115-V117 PolarHBondContact O-N 3.17Å; V117-R120 WeakPolarHBondContact O-CB 3.29Å; V117-R120 PolarHBondContact O-N 3.44Å; V117-E121 WeakPolarHBondContact CG1-OE1 3.48Å; V117-E121 WeakPolarHBondContact O-CG 3.43Å; V117-E121 PolarHBondContact O-N 3.47Å; V117-W328 HydrophobicContact CB-CH2 4.4Å; V117-W328 HydrophobicContact CG2-CH2 3.6Å; V117-W328 HydrophobicContact CG2-CZ3 3.69Å
118Q98Very high97.4Very high20 Ų2038.9 Ų38.99%0.09318%0.179CC..Hα-helixtrans-65.4-44.2179.7-169.963.866.500112.5K60 F62 I76 K114 A115 L116 R120 E121 D122K60-Q118 HydrophobicContact CD-CG 3.56Å; F62-Q118 HydrophobicContact CE2-CB 3.98Å; F62-Q118 HydrophobicContact CE2-CG 3.94Å; F62-Q118 HydrophobicContact CZ-CB 4.07Å; F62-Q118 HydrophobicContact CZ-CG 3.83Å; I76-Q118 HydrophobicContact CD1-CB 3.82Å; I76-Q118 HydrophobicContact CD1-CG 4.09Å; K114-Q118 PolarHBondContact O-N 3.22Å; A115-Q118 PolarHBondContact O-N 2.99Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 2.82Å; Q118-E121 PolarHBondContact NE2-OE2 2.93Å; Q118-E121 VanDerWaalsContact NE2-OE2 3.11Å; Q118-E121 PolarHBondContact O-N 3.02Å; Q118-E121 PolarHBondContact OE1-OE2 3.43Å; Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 PolarHBondContact NE2-OD2 3.24Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.27Å
119M98.6Very high97.5Very high0 Ų038.2 Ų38.20%018%0.176CC..Hα-helixtrans-57.7-42175.2-73.1-173.8-100.700111I76 V93 A115 L116 D122 Q123 Q124 S127 V299I76-M119 HydrophobicContact CD1-CG 4.21Å; I76-M119 HydrophobicContact CG2-CG 3.72Å; I76-M119 HydrophobicContact CG2-SD 4.29Å; V93-M119 HydrophobicContact CG2-CE 3.99Å; A115-M119 HydrophobicContact CB-CE 4.06Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 3.15Å; L116-M119 HydrophobicContact CD2-CE 3.81Å; L116-M119 HydrophobicContact CG-CE 4.25Å; M119-D122 CarbonylContact O-C 3.57Å; M119-D122 PolarHBondContact O-N 2.97Å; M119-Q123 PolarHBondContact O-N 3.48Å; M119-Q123 VanDerWaalsContact O-N 3.15Å; M119-Q124 HydrophobicContact CB-CB 4.03Å; M119-Q124 HydrophobicContact CG-CB 4.45Å; M119-Q124 WeakPolarHBondContact O-CB 3.46Å; M119-Q124 PolarHBondContact O-N 2.69Å; M119-S127 VanDerWaalsContact SD-CB 3.54Å; M119-V299 HydrophobicContact CB-CG1 3.81Å; M119-V299 HydrophobicContact CB-CG2 4.21Å; M119-V299 HydrophobicContact SD-CG2 4Å
120R98.2Very high97.5Very high96 Ų9640.7 Ų40.736%0.36218%0.184SC..Hα-helixtrans-63.8-44.8176.3-169.1-172-170.3-165.52.1112.6L116 V117 Q118 D122 Q123 W125 V299 D300 W328L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 3.32Å; V117-R120 WeakPolarHBondContact O-CB 3.29Å; V117-R120 PolarHBondContact O-N 3.44Å; Q118-R120 VanDerWaalsContact C-N 3.26Å; Q118-R120 PolarHBondContact O-N 2.82Å; R120-D122 PolarHBondContact O-N 2.64Å; R120-Q123 PolarHBondContact O-N 3.25Å; R120-Q123 VanDerWaalsContact O-N 3.17Å; R120-W125 HydrophobicContact CG-CZ3 4.02Å; R120-V299 HydrophobicContact CB-CG1 4.12Å; R120-D300 HydrophobicContact CG-CB 4.42Å; R120-D300 IonicContact CZ-OD2 3.78Å; R120-D300 IonicContact NE-OD2 3.97Å; R120-D300 PolarHBondContact NE-OD2 2.86Å; R120-D300 IonicContact NH2-OD2 3.25Å; R120-D300 PolarHBondContact NH2-OD2 2.84Å; R120-W328 HydrophobicContact CB-CZ2 4.45Å; R120-W328 VanDerWaalsContact CZ-CG 3.46Å; R120-W328 VanDerWaalsContact NH1-CB 3.29Å; R120-W328 VanDerWaalsContact NH1-CG 3.25Å
121E97.9Very high97.2Very high116 Ų11639.4 Ų39.454%0.54218%0.178SC..Hα-helixtrans-60.1-34.9174.7-72.3168.8-176.500111.8V117 Q118 Q123V117-E121 WeakPolarHBondContact CG1-OE1 3.48Å; V117-E121 WeakPolarHBondContact O-CG 3.43Å; V117-E121 PolarHBondContact O-N 3.47Å; Q118-E121 PolarHBondContact NE2-OE2 2.93Å; Q118-E121 VanDerWaalsContact NE2-OE2 3.11Å; Q118-E121 PolarHBondContact O-N 3.02Å; Q118-E121 PolarHBondContact OE1-OE2 3.43Å; E121-Q123 VanDerWaalsContact C-N 3.27Å; E121-Q123 PolarHBondContact O-N 3.08Å
122D97.8Very high96.7Very high53 Ų5347.3 Ų47.328%0.28321%0.208SC..THydrogen-bonded Turntrans-86.88.4179.5-62.5-18.9000113.4K60 Q118 M119 R120 Q124K60-D122 WeakPolarHBondContact CD-OD2 3.4Å; K60-D122 VanDerWaalsContact CE-OD2 3.3Å; K60-D122 WeakPolarHBondContact CE-OD2 3.28Å; K60-D122 IonicContact NZ-OD1 2.63Å; K60-D122 PolarHBondContact NZ-OD1 3Å; K60-D122 IonicContact NZ-OD2 3.76Å; K60-D122 PolarHBondContact NZ-OD2 3.17Å; Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 PolarHBondContact NE2-OD2 3.24Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.27Å; M119-D122 CarbonylContact O-C 3.57Å; M119-D122 PolarHBondContact O-N 2.97Å; R120-D122 PolarHBondContact O-N 2.64Å; D122-Q124 HydrophobicContact CB-CG 4.25Å; D122-Q124 PolarHBondContact O-N 3.14Å
123Q98.1Very high96.3Very high126 Ų12650.4 Ų50.459%0.58923%0.225SC*.THydrogen-bonded Turntrans57.530.8-179-55.3178.444.900114.1M119 R120 E121 W125M119-Q123 PolarHBondContact O-N 3.48Å; M119-Q123 VanDerWaalsContact O-N 3.15Å; R120-Q123 PolarHBondContact O-N 3.25Å; R120-Q123 VanDerWaalsContact O-N 3.17Å; E121-Q123 VanDerWaalsContact C-N 3.27Å; E121-Q123 PolarHBondContact O-N 3.08Å; Q123-W125 HydrophobicContact CB-CH2 3.92Å; Q123-W125 HydrophobicContact CB-CZ2 3.53Å; Q123-W125 HydrophobicContact CG-CH2 3.86Å; Q123-W125 HydrophobicContact CG-CZ2 3.7Å; Q123-W125 PolarHBondContact O-N 2.85Å
124Q98.3Very high96.1Very high9 Ų948.6 Ų48.64%0.04222%0.219CC..  trans-89.889173.8-65.9170.9-18.100109.1Q89 M119 D122 I126 V299Q89-Q124 HydrophobicContact CB-CG 4.14Å; Q89-Q124 WeakPolarHBondContact O-CA 3.41Å; M119-Q124 HydrophobicContact CB-CB 4.03Å; M119-Q124 HydrophobicContact CG-CB 4.45Å; M119-Q124 WeakPolarHBondContact O-CB 3.46Å; M119-Q124 PolarHBondContact O-N 2.69Å; D122-Q124 HydrophobicContact CB-CG 4.25Å; D122-Q124 PolarHBondContact O-N 3.14Å; Q124-I126 PolarHBondContact O-N 3.48Å; Q124-V299 WeakPolarHBondContact O-CB 3.24Å; Q124-V299 WeakPolarHBondContact O-CG1 3.43Å; Q124-V299 VanDerWaalsContact O-CG2 3.3Å; Q124-V299 WeakPolarHBondContact O-CG2 3.38Å
125W98.4Very high96Very high22 Ų2248.9 Ų48.98%0.08323%0.227CC..  trans-74.8-10.9-172.5-49.4136.2000114.7F88 Q89 R120 Q123 V299 D300 E303 F304 E307F88-W125 HydrophobicContact CD1-CB 4.38Å; Q89-W125 PolarHBondContact O-N 3.35Å; R120-W125 HydrophobicContact CG-CZ3 4.02Å; Q123-W125 HydrophobicContact CB-CH2 3.92Å; Q123-W125 HydrophobicContact CB-CZ2 3.53Å; Q123-W125 HydrophobicContact CG-CH2 3.86Å; Q123-W125 HydrophobicContact CG-CZ2 3.7Å; Q123-W125 PolarHBondContact O-N 2.85Å; W125-V299 PolarHBondContact O-N 3.27Å; W125-D300 HydrophobicContact CE3-CB 3.7Å; W125-D300 HydrophobicContact CZ3-CB 3.95Å; W125-E303 HydrophobicContact CD2-CB 3.62Å; W125-E303 HydrophobicContact CE3-CB 3.86Å; W125-E303 HydrophobicContact CE3-CG 4.42Å; W125-E303 HydrophobicContact CG-CB 4.16Å; W125-E303 HydrophobicContact CH2-CB 4Å; W125-E303 HydrophobicContact CH2-CG 3.9Å; W125-E303 HydrophobicContact CZ2-CB 3.77Å; W125-E303 HydrophobicContact CZ2-CG 4.02Å; W125-E303 HydrophobicContact CZ3-CB 4.04Å; W125-E303 HydrophobicContact CZ3-CG 4.11Å; W125-F304 HydrophobicContact CB-CB 4.13Å; W125-F304 HydrophobicContact CB-CD2 4.19Å; W125-E307 PolarHBondContact NE1-OE1 2.86Å
126I98.6Very high95.8Very high11 Ų1151.8 Ų51.86%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-134.5151.6174.6-162157.5000111.3V81 I83 F88 M90 G91 Q124 Y128 A296 R297 F304V81-I126 HydrophobicContact CG2-CG2 4.09Å; I83-I126 HydrophobicContact CD1-CB 4.48Å; I83-I126 HydrophobicContact CD1-CD1 3.59Å; I83-I126 HydrophobicContact CD1-CG2 4.11Å; F88-I126 HydrophobicContact CB-CG2 4.27Å; M90-I126 CarbonylContact C-O 3.57Å; M90-I126 VanDerWaalsContact CA-O 3.28Å; M90-I126 WeakPolarHBondContact CA-O 3.37Å; M90-I126 HydrophobicContact CB-CG2 3.97Å; M90-I126 HydrophobicContact CG-CG2 3.94Å; G91-I126 PolarHBondContact N-O 3.45Å; Q124-I126 PolarHBondContact O-N 3.48Å; I126-Y128 HydrophobicContact CD1-CE1 3.81Å; I126-Y128 HydrophobicContact CG1-CD1 4.34Å; I126-Y128 HydrophobicContact CG1-CE1 3.9Å; I126-A296 HydrophobicContact CD1-CB 4.44Å; I126-R297 CarbonylContact C-O 3.6Å; I126-R297 WeakPolarHBondContact CA-O 3.46Å; I126-R297 WeakPolarHBondContact CG1-O 3.17Å; I126-F304 HydrophobicContact CB-CD2 4.34Å; I126-F304 HydrophobicContact CB-CE2 4.09Å; I126-F304 HydrophobicContact CD1-CE2 3.78Å; I126-F304 HydrophobicContact CD1-CZ 4.18Å; I126-F304 HydrophobicContact CG1-CE2 4.4Å
127S98.7Very high95.7Very high0 Ų052.8 Ų52.80%024%0.242CC..EExtended strand (participates in β ladder)trans-133.4130.2179.7178.20000111.6G91 M119 W142 A296 R297G91-S127 WeakPolarHBondContact O-CA 3.31Å; G91-S127 VanDerWaalsContact O-CB 3.31Å; G91-S127 WeakPolarHBondContact O-CB 3.44Å; G91-S127 PolarHBondContact O-OG 3.37Å; M119-S127 VanDerWaalsContact SD-CB 3.54Å; S127-W142 PolarHBondContact O-NE1 3.08Å; S127-W142 WeakPolarHBondContact OG-CZ2 3.46Å; S127-A296 CarbonylContact O-C 3.6Å; S127-A296 VanDerWaalsContact O-CA 3.3Å; S127-A296 WeakPolarHBondContact O-CA 3.19Å; S127-R297 PolarHBondContact N-O 3.1Å; S127-R297 PolarHBondContact O-N 3.14Å
128Y98.2Very high95.7Very high14 Ų1455.6 Ų55.66%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-108.5150.2174.6-68.20.1000111.5V81 M90 G91 G92 V93 I126 M145 M295 A296V81-Y128 HydrophobicContact CB-CE2 4.29Å; V81-Y128 HydrophobicContact CG1-CD2 4.16Å; V81-Y128 HydrophobicContact CG1-CE2 3.79Å; V81-Y128 HydrophobicContact CG2-CE2 4.48Å; M90-Y128 HydrophobicContact CE-CD2 3.88Å; M90-Y128 HydrophobicContact CE-CG 4.06Å; M90-Y128 HydrophobicContact CG-CD1 4.16Å; M90-Y128 HydrophobicContact CG-CD2 4.33Å; M90-Y128 HydrophobicContact CG-CG 3.99Å; M90-Y128 HydrophobicContact SD-CD2 4.4Å; M90-Y128 HydrophobicContact SD-CG 4Å; M90-Y128 PolarHBondContact SD-N 2.7Å; G91-Y128 PolarHBondContact O-N 3.38Å; G92-Y128 WeakPolarHBondContact CA-O 3.23Å; V93-Y128 PolarHBondContact N-O 3.22Å; I126-Y128 HydrophobicContact CD1-CE1 3.81Å; I126-Y128 HydrophobicContact CG1-CD1 4.34Å; I126-Y128 HydrophobicContact CG1-CE1 3.9Å; Y128-M145 HydrophobicContact CD1-SD 3.6Å; Y128-M145 VanDerWaalsContact CD1-SD 3.6Å; Y128-M145 HydrophobicContact CD2-CE 4.23Å; Y128-M145 HydrophobicContact CD2-SD 3.62Å; Y128-M145 HydrophobicContact CE1-CE 3.96Å; Y128-M145 HydrophobicContact CE1-SD 3.4Å; Y128-M145 WeakPolarHBondContact CE1-SD 3.26Å; Y128-M145 HydrophobicContact CE2-CE 3.44Å; Y128-M145 VanDerWaalsContact CE2-CE 3.44Å; Y128-M145 HydrophobicContact CE2-SD 3.41Å; Y128-M145 WeakPolarHBondContact CE2-SD 3.11Å; Y128-M145 HydrophobicContact CG-SD 3.73Å; Y128-M145 VanDerWaalsContact OH-CE 3.23Å; Y128-M145 WeakPolarHBondContact OH-CE 3.49Å; Y128-M295 CarbonylContact C-O 3.6Å; Y128-M295 VanDerWaalsContact CA-O 3.29Å; Y128-M295 WeakPolarHBondContact CA-O 3.42Å; Y128-A296 HydrophobicContact CD1-CB 3.64Å; Y128-A296 HydrophobicContact CE1-CB 3.53Å
129L96.1Very high95.6Very high4 Ų461.7 Ų61.72%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-148155170.168.181000112.1V93 P131 Y137 W142 F294 M295V93-L129 HydrophobicContact CB-CB 4.07Å; L129-P131 HydrophobicContact CD1-CB 3.92Å; L129-Y137 HydrophobicContact CD1-CD1 4.48Å; L129-Y137 HydrophobicContact CD1-CD2 3.95Å; L129-Y137 HydrophobicContact CD1-CE2 4.26Å; L129-Y137 HydrophobicContact CD1-CG 4.08Å; L129-Y137 HydrophobicContact CD2-CD1 3.61Å; L129-Y137 HydrophobicContact CD2-CE1 3.98Å; L129-Y137 HydrophobicContact CD2-CG 3.92Å; L129-W142 HydrophobicContact CD2-CD2 3.65Å; L129-W142 HydrophobicContact CD2-CE3 4.4Å; L129-W142 HydrophobicContact CD2-CG 3.69Å; L129-W142 HydrophobicContact CD2-CZ2 4.18Å; L129-W142 HydrophobicContact CG-CG 4.2Å; L129-F294 VanDerWaalsContact O-CD1 3.3Å; L129-F294 WeakPolarHBondContact O-CD1 3.13Å; L129-M295 HydrophobicContact CD1-CB 4.06Å; L129-M295 HydrophobicContact CD1-CG 4.34Å; L129-M295 HydrophobicContact CD1-SD 4.27Å; L129-M295 HydrophobicContact CG-CB 4.26Å; L129-M295 PolarHBondContact N-O 3.16Å; L129-M295 PolarHBondContact O-N 3.04Å
130Y92.5Very high95.4Very high152 Ų15263.2 Ų63.260%0.59628%0.277SS*.  trans-90119.7166.7-175.1-97.6000109.7Y132 F293 F294Y130-Y132 PolarHBondContact O-N 3.31Å; Y130-F293 HydrophobicContact CD2-CD2 4.29Å; Y130-F293 HydrophobicContact CD2-CE2 4.18Å; Y130-F293 WeakPolarHBondContact CD2-O 3.47Å; Y130-F293 AromaticContact CE2-CD2 3.82Å; Y130-F293 HydrophobicContact CE2-CD2 3.82Å; Y130-F293 AromaticContact CE2-CE2 3.79Å; Y130-F293 HydrophobicContact CE2-CE2 3.79Å; Y130-F294 HydrophobicContact CD2-CD2 4.42Å; Y130-F294 HydrophobicContact CD2-CE2 4.17Å
131P89.3Confident95.4Very high18 Ų1860 Ų6012%0.11727%0.273CS..  trans-85.9114.1-165.933-34.7000113.6L129 I134 Y137 F293 M295L129-P131 HydrophobicContact CD1-CB 3.92Å; P131-I134 HydrophobicContact CB-CG1 3.65Å; P131-I134 HydrophobicContact CG-CD1 4.35Å; P131-I134 HydrophobicContact CG-CG1 3.87Å; P131-Y137 HydrophobicContact CB-CD2 4.39Å; P131-F293 WeakPolarHBondContact CD-O 3.49Å; P131-M295 HydrophobicContact CB-CG 3.95Å; P131-M295 HydrophobicContact CB-SD 3.62Å; P131-M295 HydrophobicContact CG-CG 3.97Å; P131-M295 HydrophobicContact CG-SD 4.25Å
132Y85.2Confident95.4Very high165 Ų16554.6 Ų54.665%0.64725%0.248SC*.SBendtrans-74.3-35164.9175.2-103.2000112.9Y130Y130-Y132 PolarHBondContact O-N 3.31Å
133N89.1Confident95.4Very high68 Ų6856.3 Ų56.336%0.36425%0.254SS..  trans-141.890.7-179.2-173.3-41.9000109.8P135 Y136 Y137N133-P135 VanDerWaalsContact OD1-CD 3.3Å; N133-P135 WeakPolarHBondContact OD1-CD 3.05Å; N133-Y136 WeakPolarHBondContact O-CB 3.45Å; N133-Y136 PolarHBondContact O-N 2.95Å; N133-Y136 VanDerWaalsContact O-N 3.09Å; N133-Y136 WeakPolarHBondContact OD1-CB 3.34Å; N133-Y136 PolarHBondContact OD1-N 3.37Å; N133-Y137 WeakPolarHBondContact O-CD2 3.33Å; N133-Y137 PolarHBondContact O-N 2.84Å; N133-Y137 VanDerWaalsContact O-N 3.15Å
134I93.6Very high95.4Very high40 Ų4052.8 Ų52.821%0.20524%0.239CC..Hα-helixtrans-54-49.5-177.5-63.4171.6000111.8P131 Y136 Y137 R138 P292 M295P131-I134 HydrophobicContact CB-CG1 3.65Å; P131-I134 HydrophobicContact CG-CD1 4.35Å; P131-I134 HydrophobicContact CG-CG1 3.87Å; I134-Y136 PolarHBondContact O-N 3.37Å; I134-Y137 PolarHBondContact O-N 2.84Å; I134-R138 WeakPolarHBondContact O-CB 3.41Å; I134-R138 PolarHBondContact O-N 3.48Å; I134-P292 HydrophobicContact CD1-CB 3.96Å; I134-P292 HydrophobicContact CD1-CG 4.1Å; I134-M295 HydrophobicContact CB-SD 4.45Å; I134-M295 HydrophobicContact CG1-SD 4.27Å; I134-M295 HydrophobicContact CG2-CE 4.07Å; I134-M295 HydrophobicContact CG2-SD 4.21Å
135P95.9Very high95.3Very high70 Ų7054.9 Ų54.946%0.45525%0.249SC..Hα-helixtrans-56.8-35.8177.9-26.934.3000114.2N133 R139N133-P135 VanDerWaalsContact OD1-CD 3.3Å; N133-P135 WeakPolarHBondContact OD1-CD 3.05Å; P135-R139 WeakPolarHBondContact O-CG 3.5Å; P135-R139 VanDerWaalsContact O-CZ 3.3Å; P135-R139 PolarHBondContact O-N 3.09Å; P135-R139 PolarHBondContact O-NH1 3.31Å
136Y93.4Very high95.2Very high61 Ų6155 Ų5524%0.23925%0.254CS..Hα-helixtrans-67.1-51.9178-177.7-89.4000111.6M108 I112 N133 I134 R138 R139 K140M108-Y136 VanDerWaalsContact CB-OH 3.29Å; M108-Y136 WeakPolarHBondContact CB-OH 3.46Å; M108-Y136 HydrophobicContact CG-CE1 3.99Å; M108-Y136 WeakPolarHBondContact CG-OH 3.32Å; I112-Y136 HydrophobicContact CD1-CE1 4.02Å; N133-Y136 WeakPolarHBondContact O-CB 3.45Å; N133-Y136 PolarHBondContact O-N 2.95Å; N133-Y136 VanDerWaalsContact O-N 3.09Å; N133-Y136 WeakPolarHBondContact OD1-CB 3.34Å; N133-Y136 PolarHBondContact OD1-N 3.37Å; I134-Y136 PolarHBondContact O-N 3.37Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.47Å; Y136-R139 PolarHBondContact O-N 3.5Å; Y136-K140 HydrophobicContact CE1-CG 4.36Å; Y136-K140 PolarHBondContact O-N 2.87Å
137Y95.6Very high95Very high21 Ų2156 Ų568%0.08226%0.259CS..Hα-helixtrans-68-33.3-179.6-65.8-64.8000112.5L129 P131 N133 I134 R139 K140 G141 W142L129-Y137 HydrophobicContact CD1-CD1 4.48Å; L129-Y137 HydrophobicContact CD1-CD2 3.95Å; L129-Y137 HydrophobicContact CD1-CE2 4.26Å; L129-Y137 HydrophobicContact CD1-CG 4.08Å; L129-Y137 HydrophobicContact CD2-CD1 3.61Å; L129-Y137 HydrophobicContact CD2-CE1 3.98Å; L129-Y137 HydrophobicContact CD2-CG 3.92Å; P131-Y137 HydrophobicContact CB-CD2 4.39Å; N133-Y137 WeakPolarHBondContact O-CD2 3.33Å; N133-Y137 PolarHBondContact O-N 2.84Å; N133-Y137 VanDerWaalsContact O-N 3.15Å; I134-Y137 PolarHBondContact O-N 2.84Å; Y137-R139 PolarHBondContact O-N 3.29Å; Y137-K140 CarbonylContact O-C 3.56Å; Y137-K140 VanDerWaalsContact O-C 3.31Å; Y137-K140 WeakPolarHBondContact O-CA 3.43Å; Y137-K140 WeakPolarHBondContact O-CB 3.37Å; Y137-K140 PolarHBondContact O-N 3.49Å; Y137-G141 PolarHBondContact O-N 3.16Å; Y137-G141 VanDerWaalsContact O-N 3.15Å; Y137-W142 PolarHBondContact O-N 3.45Å; Y137-W142 VanDerWaalsContact O-N 3.11Å
138R97.7Very high94.8Very high101 Ų10158.9 Ų58.938%0.38127%0.272SS..Hα-helixtrans-62.4-40.4173.1-170.8177.2-72.1129.60.5113.2I134 Y136 K140 G141 W142 E143 M295I134-R138 WeakPolarHBondContact O-CB 3.41Å; I134-R138 PolarHBondContact O-N 3.48Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.47Å; R138-K140 PolarHBondContact O-N 3.02Å; R138-K140 VanDerWaalsContact O-N 3.13Å; R138-G141 WeakPolarHBondContact O-CA 3.5Å; R138-G141 PolarHBondContact O-N 3.07Å; R138-W142 VanDerWaalsContact CA-O 3.24Å; R138-W142 WeakPolarHBondContact CA-O 3.29Å; R138-E143 WeakPolarHBondContact CD-OE2 3.33Å; R138-E143 IonicContact CZ-OE1 3.89Å; R138-E143 VanDerWaalsContact CZ-OE1 3.3Å; R138-E143 IonicContact CZ-OE2 2.68Å; R138-E143 VanDerWaalsContact NE-CD 3.32Å; R138-E143 IonicContact NE-OE1 3.33Å; R138-E143 PolarHBondContact NE-OE1 2.86Å; R138-E143 VanDerWaalsContact NE-OE1 3.09Å; R138-E143 IonicContact NE-OE2 2.56Å; R138-E143 PolarHBondContact NE-OE2 2.7Å; R138-E143 IonicContact NH2-OE1 3.97Å; R138-E143 PolarHBondContact NH2-OE1 2.92Å; R138-E143 IonicContact NH2-OE2 2.73Å; R138-M295 HydrophobicContact CB-CE 4.34Å
139R95.9Very high94.6Very high149 Ų14958.4 Ų58.456%0.56227%0.27SS*.THydrogen-bonded Turntrans-66.6-9.5170.9-72.4-172-60.1-89.71.5114P135 Y136 Y137P135-R139 WeakPolarHBondContact O-CG 3.5Å; P135-R139 VanDerWaalsContact O-CZ 3.3Å; P135-R139 PolarHBondContact O-N 3.09Å; P135-R139 PolarHBondContact O-NH1 3.31Å; Y136-R139 PolarHBondContact O-N 3.5Å; Y137-R139 PolarHBondContact O-N 3.29Å
140K95.9Very high94.6Very high32 Ų3260 Ų6014%0.13928%0.282CS..THydrogen-bonded Turntrans-105.910.6171.5-54.7-59.6167.9-148.30112K109 I112 Y136 Y137 R138 W142 R297 V325K109-K140 HydrophobicContact CG-CD 4.44Å; I112-K140 HydrophobicContact CD1-CB 4.23Å; I112-K140 HydrophobicContact CD1-CG 3.85Å; I112-K140 HydrophobicContact CG2-CB 4.43Å; Y136-K140 HydrophobicContact CE1-CG 4.36Å; Y136-K140 PolarHBondContact O-N 2.87Å; Y137-K140 CarbonylContact O-C 3.56Å; Y137-K140 VanDerWaalsContact O-C 3.31Å; Y137-K140 WeakPolarHBondContact O-CA 3.43Å; Y137-K140 WeakPolarHBondContact O-CB 3.37Å; Y137-K140 PolarHBondContact O-N 3.49Å; R138-K140 PolarHBondContact O-N 3.02Å; R138-K140 VanDerWaalsContact O-N 3.13Å; K140-W142 HydrophobicContact CB-CE3 4.08Å; K140-W142 HydrophobicContact CB-CZ3 4.07Å; K140-R297 PolarHBondContact O-NE 3.17Å; K140-R297 PolarHBondContact O-NH1 2.78Å; K140-V325 HydrophobicContact CB-CG2 4.11Å; K140-V325 HydrophobicContact CD-CG2 3.83Å
141G97.3Very high94.7Very high27 Ų2753.2 Ų53.228%0.27826%0.255SS..THydrogen-bonded Turntrans75.126.6172.300000115.4Y137 R138 R297Y137-G141 PolarHBondContact O-N 3.16Å; Y137-G141 VanDerWaalsContact O-N 3.15Å; R138-G141 WeakPolarHBondContact O-CA 3.5Å; R138-G141 PolarHBondContact O-N 3.07Å; G141-R297 VanDerWaalsContact C-NH1 3.34Å; G141-R297 WeakPolarHBondContact O-CD 2.86Å; G141-R297 VanDerWaalsContact O-CG 3.31Å; G141-R297 WeakPolarHBondContact O-CG 3.29Å; G141-R297 PolarHBondContact O-NH1 3.22Å
142W98.3Very high94.9Very high3 Ų357.4 Ų57.41%0.01127%0.272CS..  trans-81.7152.1155.9-85-98.4000110.2V93 I112 L116 S127 L129 Y137 R138 K140 M295 A296 R297V93-W142 HydrophobicContact CG2-CZ2 4Å; I112-W142 HydrophobicContact CG2-CH2 3.88Å; I112-W142 HydrophobicContact CG2-CZ3 3.66Å; L116-W142 HydrophobicContact CD2-CH2 4.07Å; L116-W142 HydrophobicContact CG-CH2 4.41Å; S127-W142 PolarHBondContact O-NE1 3.08Å; S127-W142 WeakPolarHBondContact OG-CZ2 3.46Å; L129-W142 HydrophobicContact CD2-CD2 3.65Å; L129-W142 HydrophobicContact CD2-CE3 4.4Å; L129-W142 HydrophobicContact CD2-CG 3.69Å; L129-W142 HydrophobicContact CD2-CZ2 4.18Å; L129-W142 HydrophobicContact CG-CG 4.2Å; Y137-W142 PolarHBondContact O-N 3.45Å; Y137-W142 VanDerWaalsContact O-N 3.11Å; R138-W142 VanDerWaalsContact CA-O 3.24Å; R138-W142 WeakPolarHBondContact CA-O 3.29Å; K140-W142 HydrophobicContact CB-CE3 4.08Å; K140-W142 HydrophobicContact CB-CZ3 4.07Å; W142-M295 HydrophobicContact CB-CB 4.06Å; W142-M295 HydrophobicContact CB-CE 3.83Å; W142-M295 HydrophobicContact CB-SD 4.33Å; W142-M295 HydrophobicContact CG-CB 4.43Å; W142-M295 VanDerWaalsContact O-CE 3.32Å; W142-M295 WeakPolarHBondContact O-CE 3.42Å; W142-A296 CarbonylContact C-O 3.57Å; W142-A296 WeakPolarHBondContact CA-O 3.26Å; W142-R297 HydrophobicContact CB-CB 4.42Å; W142-R297 HydrophobicContact CD2-CB 3.7Å; W142-R297 HydrophobicContact CD2-CG 4.27Å; W142-R297 HydrophobicContact CE3-CB 4.39Å; W142-R297 HydrophobicContact CG-CB 3.69Å; W142-R297 HydrophobicContact CZ2-CB 4.27Å
143E98.4Very high95.4Very high90 Ų9049.6 Ų49.642%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-136.7156169.7-169.850.2-88.400110.5R138 M145 M295 A296R138-E143 WeakPolarHBondContact CD-OE2 3.33Å; R138-E143 IonicContact CZ-OE1 3.89Å; R138-E143 VanDerWaalsContact CZ-OE1 3.3Å; R138-E143 IonicContact CZ-OE2 2.68Å; R138-E143 VanDerWaalsContact NE-CD 3.32Å; R138-E143 IonicContact NE-OE1 3.33Å; R138-E143 PolarHBondContact NE-OE1 2.86Å; R138-E143 VanDerWaalsContact NE-OE1 3.09Å; R138-E143 IonicContact NE-OE2 2.56Å; R138-E143 PolarHBondContact NE-OE2 2.7Å; R138-E143 IonicContact NH2-OE1 3.97Å; R138-E143 PolarHBondContact NH2-OE1 2.92Å; R138-E143 IonicContact NH2-OE2 2.73Å; E143-M145 PolarHBondContact O-N 3.43Å; E143-M295 CarbonylContact O-C 3.59Å; E143-M295 WeakPolarHBondContact O-CA 3.43Å; E143-M295 VanDerWaalsContact O-CB 3.29Å; E143-M295 WeakPolarHBondContact O-CB 3.3Å; E143-A296 PolarHBondContact N-O 3.1Å; E143-A296 PolarHBondContact O-N 3.5Å
144I97.4Very high95.6Very high52 Ų5250.5 Ų50.527%0.26724%0.242SC..EExtended strand (participates in β ladder)trans-59.7131176.6-59.9162.9000109.1P292 M295I144-P292 HydrophobicContact CD1-CB 3.73Å; I144-P292 HydrophobicContact CD1-CG 3.67Å; I144-P292 HydrophobicContact CG1-CB 3.99Å; I144-P292 HydrophobicContact CG1-CG 4.47Å; I144-P292 HydrophobicContact CG2-CB 4.01Å; I144-M295 HydrophobicContact CG1-CG 4.36Å
145M96.6Very high95.6Very high52 Ų5249.6 Ų49.626%0.25624%0.237SC..EExtended strand (participates in β ladder)trans-113-22.1177.661.2162.5-63.100113.3Y128 E143 F294 A296Y128-M145 HydrophobicContact CD1-SD 3.6Å; Y128-M145 VanDerWaalsContact CD1-SD 3.6Å; Y128-M145 HydrophobicContact CD2-CE 4.23Å; Y128-M145 HydrophobicContact CD2-SD 3.62Å; Y128-M145 HydrophobicContact CE1-CE 3.96Å; Y128-M145 HydrophobicContact CE1-SD 3.4Å; Y128-M145 WeakPolarHBondContact CE1-SD 3.26Å; Y128-M145 HydrophobicContact CE2-CE 3.44Å; Y128-M145 VanDerWaalsContact CE2-CE 3.44Å; Y128-M145 HydrophobicContact CE2-SD 3.41Å; Y128-M145 WeakPolarHBondContact CE2-SD 3.11Å; Y128-M145 HydrophobicContact CG-SD 3.73Å; Y128-M145 VanDerWaalsContact OH-CE 3.23Å; Y128-M145 WeakPolarHBondContact OH-CE 3.49Å; E143-M145 PolarHBondContact O-N 3.43Å; M145-F294 HydrophobicContact CG-CB 3.96Å; M145-F294 VanDerWaalsContact CG-O 3.29Å; M145-F294 WeakPolarHBondContact CG-O 3.19Å; M145-F294 PolarHBondContact N-O 3.29Å; M145-F294 HydrophobicContact SD-CB 4.03Å; M145-A296 HydrophobicContact CB-CB 3.72Å; M145-A296 HydrophobicContact CG-CB 3.96Å; M145-A296 HydrophobicContact SD-CB 3.8Å
146S95.7Very high95.5Very high26 Ų2650.7 Ų50.718%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-150154.2-176.464.80000111.8F293 F294S146-F293 PolarHBondContact O-N 3.16Å; S146-F294 PolarHBondContact OG-N 3.28Å
147D93.9Very high95.5Very high32 Ų3249.3 Ų49.317%0.17124%0.239CC..EExtended strand (participates in β ladder)trans-112.6151.4176.6-60.1-59.6000110.1L149 F272 K273 N274 I290 A291D147-L149 HydrophobicContact CB-CD1 4Å; D147-F272 CarbonylContact O-C 3.39Å; D147-K273 PolarHBondContact O-N 3.42Å; D147-N274 HydrophobicContact CB-CB 4.22Å; D147-N274 PolarHBondContact OD2-ND2 3.47Å; D147-I290 HydrophobicContact CB-CD1 4.03Å; D147-I290 HydrophobicContact CB-CG1 3.89Å; D147-A291 WeakPolarHBondContact CA-O 3.46Å
148K94.3Very high95.4Very high59 Ų5949.3 Ų49.326%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-105.7122.6165.7178.7-176.9-179.5-179.10107.8D270 I271 F272 A291 F293K148-D270 WeakPolarHBondContact CE-OD1 3.48Å; K148-D270 WeakPolarHBondContact CE-OD2 3.23Å; K148-D270 VanDerWaalsContact NZ-CG 3.26Å; K148-D270 IonicContact NZ-OD1 3.83Å; K148-D270 PolarHBondContact NZ-OD1 2.84Å; K148-D270 IonicContact NZ-OD2 2.76Å; K148-D270 PolarHBondContact NZ-OD2 2.98Å; K148-I271 WeakPolarHBondContact CA-O 3.4Å; K148-F272 HydrophobicContact CB-CD1 4.45Å; K148-F272 HydrophobicContact CD-CD1 4.46Å; K148-F272 HydrophobicContact CD-CE1 3.93Å; K148-F272 HydrophobicContact CG-CD1 4.17Å; K148-F272 HydrophobicContact CG-CE1 4.08Å; K148-A291 PolarHBondContact N-O 3.11Å; K148-A291 PolarHBondContact O-N 3.3Å; K148-F293 HydrophobicContact CB-CB 3.89Å; K148-F293 HydrophobicContact CB-CD2 4.21Å; K148-F293 HydrophobicContact CB-CG 4.09Å; K148-F293 HydrophobicContact CD-CD2 4.47Å
149L94.3Very high95.1Very high5 Ų545.5 Ų45.53%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-102.5121.9172.2-79.868.3000108.6D147 D270 I271 P276 T289 I290D147-L149 HydrophobicContact CB-CD1 4Å; L149-D270 CarbonylContact O-C 3.59Å; L149-D270 WeakPolarHBondContact O-CA 3.39Å; L149-I271 HydrophobicContact CB-CB 4.29Å; L149-I271 PolarHBondContact N-O 3.25Å; L149-I271 PolarHBondContact O-N 3.29Å; L149-P276 HydrophobicContact CD2-CG 4.43Å; L149-T289 WeakPolarHBondContact CA-O 3.23Å; L149-I290 HydrophobicContact CD1-CB 4.48Å; L149-I290 HydrophobicContact CD1-CD1 4.13Å; L149-I290 HydrophobicContact CD1-CG1 3.93Å; L149-I290 HydrophobicContact CG-CB 4.44Å; L149-I290 HydrophobicContact CG-CG1 4.42Å
150S95.6Very high94.8Very high38 Ų3846.3 Ų46.327%0.26624%0.236SC..EExtended strand (participates in β ladder)trans-106.1127173.3-62.60000109.7G269 D270 E288 T289S150-G269 WeakPolarHBondContact CA-O 3.5Å; S150-D270 VanDerWaalsContact CB-OD1 3.3Å; S150-D270 WeakPolarHBondContact CB-OD1 3.39Å; S150-D270 PolarHBondContact OG-OD1 2.88Å; S150-E288 CarbonylContact O-C 3.57Å; S150-E288 WeakPolarHBondContact O-CA 3.4Å; S150-T289 PolarHBondContact N-O 3.01Å; S150-T289 PolarHBondContact O-N 3.39Å
151F95Very high94.6Very high8 Ų851.2 Ų51.24%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-120.7153.7-178.363.7-93.3000111.9I153 I239 W254 V267 K268 G269 I271 L277 E288F151-I153 HydrophobicContact CD2-CG2 4.28Å; F151-I239 HydrophobicContact CE2-CD1 4.37Å; F151-I239 HydrophobicContact CZ-CD1 4.02Å; F151-W254 HydrophobicContact CE2-CH2 4.18Å; F151-W254 HydrophobicContact CZ-CH2 4.39Å; F151-V267 HydrophobicContact CE2-CG1 4.43Å; F151-K268 WeakPolarHBondContact O-CA 3.39Å; F151-G269 WeakPolarHBondContact CD1-O 3.27Å; F151-G269 VanDerWaalsContact CE1-C 3.43Å; F151-G269 VanDerWaalsContact CZ-CA 3.49Å; F151-G269 PolarHBondContact N-O 3.42Å; F151-G269 PolarHBondContact O-N 3.09Å; F151-I271 HydrophobicContact CD1-CD1 4.11Å; F151-I271 HydrophobicContact CD1-CG1 4.04Å; F151-I271 HydrophobicContact CE1-CD1 4Å; F151-I271 HydrophobicContact CE1-CG1 3.74Å; F151-L277 HydrophobicContact CB-CD2 4.43Å; F151-L277 HydrophobicContact CD1-CD2 3.85Å; F151-L277 HydrophobicContact CD2-CD2 3.66Å; F151-L277 HydrophobicContact CE1-CD2 3.92Å; F151-L277 HydrophobicContact CE2-CD2 3.72Å; F151-L277 HydrophobicContact CG-CD2 3.72Å; F151-L277 HydrophobicContact CZ-CD2 3.83Å; F151-E288 HydrophobicContact CB-CG 4.1Å
152K94.7Very high94.4Very high107 Ų10753.1 Ų53.147%0.46527%0.266SS..EExtended strand (participates in β ladder)trans-138.4117.3170.1-175.1177.7179.4178.40108.8W266 V267K152-W266 HydrophobicContact CD-CE3 4.15Å; K152-W266 VanDerWaalsContact CE-CE3 3.42Å; K152-W266 HydrophobicContact CG-CD2 4.47Å; K152-W266 HydrophobicContact CG-CE3 3.81Å; K152-W266 HydrophobicContact CG-CZ3 4.37Å; K152-V267 WeakPolarHBondContact CA-O 3.46Å
153I94.2Very high94.2Very high0 Ų060.9 Ų60.90%031%0.307CS..EExtended strand (participates in β ladder)trans-119.2143.7-179.966.2175.5000109.9F151 L158 W254 W266 V267 L281 I286F151-I153 HydrophobicContact CD2-CG2 4.28Å; I153-L158 HydrophobicContact CD1-CD2 3.89Å; I153-W254 HydrophobicContact CD1-CH2 3.91Å; I153-W254 HydrophobicContact CD1-CZ3 3.77Å; I153-W266 WeakPolarHBondContact O-CA 3.12Å; I153-V267 HydrophobicContact CD1-CB 4.15Å; I153-V267 HydrophobicContact CG1-CB 3.69Å; I153-V267 HydrophobicContact CG1-CG1 4.48Å; I153-V267 HydrophobicContact CG1-CG2 4.41Å; I153-V267 PolarHBondContact N-O 3.43Å; I153-V267 PolarHBondContact O-N 3.05Å; I153-L281 HydrophobicContact CG2-CD1 4.04Å; I153-I286 HydrophobicContact CB-CG2 4.39Å; I153-I286 HydrophobicContact CG2-CB 4.04Å; I153-I286 HydrophobicContact CG2-CD1 3.91Å; I153-I286 HydrophobicContact CG2-CG2 3.57Å
154K94.8Very high94.1Very high88 Ų8858.2 Ų58.238%0.38330%0.296SS..EExtended strand (participates in β ladder)trans-79152.2176.5-177.8169.7-179.7-169.50110.4T156 Q157 W266K154-T156 PolarHBondContact O-N 3.15Å; K154-T156 VanDerWaalsContact O-N 3.16Å; K154-Q157 HydrophobicContact CB-CG 4.11Å; K154-Q157 VanDerWaalsContact N-OE1 3.08Å; K154-Q157 WeakPolarHBondContact O-CA 3.43Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 2.96Å; K154-W266 HydrophobicContact CB-CE3 3.94Å; K154-W266 HydrophobicContact CB-CH2 4.12Å; K154-W266 HydrophobicContact CB-CZ3 3.61Å; K154-W266 HydrophobicContact CD-CH2 4.38Å; K154-W266 HydrophobicContact CG-CH2 4.42Å; K154-W266 HydrophobicContact CG-CZ3 4.31Å
155D92.7Very high94Very high20 Ų2059.9 Ų59.911%0.10731%0.31CS..G310 helixtrans-45.5-43173.262.1-14.5000113.3Q157 L158 F261 V264 Y265D155-Q157 PolarHBondContact O-N 2.97Å; D155-L158 WeakPolarHBondContact O-CB 3.18Å; D155-L158 WeakPolarHBondContact O-CD1 3.5Å; D155-L158 WeakPolarHBondContact O-CG 3.49Å; D155-L158 PolarHBondContact O-N 3.18Å; D155-F261 HydrophobicContact CB-CD2 3.96Å; D155-F261 HydrophobicContact CB-CE2 3.9Å; D155-F261 WeakPolarHBondContact O-CD2 3.19Å; D155-F261 WeakPolarHBondContact O-CE2 3.22Å; D155-V264 WeakPolarHBondContact CB-O 3.2Å; D155-Y265 PolarHBondContact N-O 3.21Å
156T93.2Very high94Very high94 Ų9458.1 Ų58.158%0.57731%0.305SS*.G310 helixtrans-68.3-12.8178.557.10000115.1K154K154-T156 PolarHBondContact O-N 3.15Å; K154-T156 VanDerWaalsContact O-N 3.16Å
157Q93.6Very high94.1Very high31 Ų3161.7 Ų61.715%0.14532%0.321CS..G310 helixtrans-100.90.9179.7-52.5-176.4-81.800112K154 D155 D283 E285K154-Q157 HydrophobicContact CB-CG 4.11Å; K154-Q157 VanDerWaalsContact N-OE1 3.08Å; K154-Q157 WeakPolarHBondContact O-CA 3.43Å; K154-Q157 WeakPolarHBondContact O-CB 3.35Å; K154-Q157 PolarHBondContact O-N 2.96Å; D155-Q157 PolarHBondContact O-N 2.97Å; Q157-D283 HydrophobicContact CB-CB 4.3Å; Q157-D283 VanDerWaalsContact CG-OD2 3.23Å; Q157-D283 WeakPolarHBondContact CG-OD2 3.41Å; Q157-D283 PolarHBondContact NE2-OD2 3.49Å; Q157-E285 PolarHBondContact NE2-O 3.06Å; Q157-E285 VanDerWaalsContact NE2-O 3.07Å
158L93.1Very high94.3Very high22 Ų2262.1 Ų62.112%0.11533%0.325CS..SBendtrans-60.9137.6177.3-78.3167000110.7I153 D155 W254 I257 F261 V267I153-L158 HydrophobicContact CD1-CD2 3.89Å; D155-L158 WeakPolarHBondContact O-CB 3.18Å; D155-L158 WeakPolarHBondContact O-CD1 3.5Å; D155-L158 WeakPolarHBondContact O-CG 3.49Å; D155-L158 PolarHBondContact O-N 3.18Å; L158-W254 HydrophobicContact CD2-CE3 4.47Å; L158-W254 HydrophobicContact CD2-CZ3 4.16Å; L158-I257 HydrophobicContact CD2-CG2 3.85Å; L158-F261 HydrophobicContact CD1-CD2 4.27Å; L158-V267 HydrophobicContact CD1-CG2 4.33Å; L158-V267 HydrophobicContact CD2-CG2 3.8Å; L158-V267 HydrophobicContact CG-CG2 4.42Å
159P92Very high94.5Very high20 Ų2062.9 Ų62.913%0.1333%0.329CS..PPolyproline II helixtrans-63147.7-177.127.1-34.3000110.7W254 S258 L281P159-W254 HydrophobicContact CG-CB 3.91Å; P159-W254 HydrophobicContact CG-CD2 4.01Å; P159-W254 HydrophobicContact CG-CE3 3.81Å; P159-W254 HydrophobicContact CG-CG 4.08Å; P159-S258 PolarHBondContact O-OG 3.4Å; P159-L281 HydrophobicContact CB-CD2 4.41Å; P159-L281 HydrophobicContact CG-CD2 4.23Å
160K90.8Very high94.7Very high166 Ų16670.8 Ų70.872%0.72236%0.358SS*.PPolyproline II helixtrans-64.9145.1176.6-69.7179-176.4169.20110.5V162 D282K160-V162 PolarHBondContact O-N 2.99Å; K160-D282 PolarHBondContact N-OD2 3.4Å
161Q91.3Very high94.8Very high135 Ų13572 Ų7263%0.63136%0.359SS*.PPolyproline II helixtrans-64.1133.7177.8-70.4-177.1-9.700111.3N255Q161-N255 VanDerWaalsContact CA-OD1 3.26Å; Q161-N255 WeakPolarHBondContact CA-OD1 3.44Å
162V92.8Very high94.8Very high68 Ų6877.2 Ų77.241%0.41238%0.384SS..PPolyproline II helixtrans-103.7136.6175.2-1770000108.8K160 L164 N255K160-V162 PolarHBondContact O-N 2.99Å; V162-L164 HydrophobicContact CB-CD2 4.47Å; V162-L164 HydrophobicContact CB-CG 4.38Å; V162-L164 HydrophobicContact CG1-CD2 3.88Å; V162-L164 HydrophobicContact CG1-CG 4.23Å; V162-L164 PolarHBondContact O-N 3.07Å; V162-N255 PolarHBondContact N-OD1 2.97Å; V162-N255 PolarHBondContact O-ND2 3.4Å
163D94.7Very high94.8Very high165 Ų16572.3 Ų72.388%0.88236%0.362SS*.PPolyproline II helixtrans-73.1122174.4-164.921.7000109.8
164L95.7Very high94.8Very high35 Ų3576.5 Ų76.518%0.18339%0.385CS..  trans-136.8146.5-173.2-59.8170.5000109.7V162 E248 N251 G252V162-L164 HydrophobicContact CB-CD2 4.47Å; V162-L164 HydrophobicContact CB-CG 4.38Å; V162-L164 HydrophobicContact CG1-CD2 3.88Å; V162-L164 HydrophobicContact CG1-CG 4.23Å; V162-L164 PolarHBondContact O-N 3.07Å; L164-E248 HydrophobicContact CD2-CG 4.27Å; L164-N251 HydrophobicContact CD1-CB 3.73Å; L164-N251 HydrophobicContact CD2-CB 4.42Å; L164-G252 VanDerWaalsContact CD1-CA 3.49Å
165P95.9Very high94.9Very high87 Ų8774 Ų7457%0.56538%0.376SS*.SBendtrans-77.7-24.5-174.732.4-36.2000113.7A220 E248P165-A220 HydrophobicContact CB-CB 4.01Å; P165-A220 HydrophobicContact CG-CB 4.25Å; P165-E248 WeakPolarHBondContact CG-OE1 3.26Å
166G96.4Very high95.1Very high14 Ų1477.6 Ų77.614%0.14440%0.4CS..  trans-79.6177.3179.800000115.3Y217 Y218G166-Y217 VanDerWaalsContact CA-OH 3.29Å; G166-Y217 WeakPolarHBondContact CA-OH 3.45Å; G166-Y217 PolarHBondContact N-OH 2.82Å; G166-Y218 CarbonylContact C-O 3.56Å; G166-Y218 WeakPolarHBondContact CA-O 3.36Å
167I97.5Very high95.3Very high102 Ų10275 Ų7552%0.52338%0.383SS..EExtended strand (participates in β ladder)trans-132.3159.7-178.762.9170.2000111.6E169 Y217 Y218I167-E169 HydrophobicContact CD1-CG 4.47Å; I167-Y217 WeakPolarHBondContact O-CA 3.22Å; I167-Y218 PolarHBondContact N-O 2.66Å; I167-Y218 PolarHBondContact O-N 3.45Å
168V98.1Very high95.5Very high41 Ų4173.6 Ų73.625%0.24838%0.376CS..EExtended strand (participates in β ladder)trans-109129.5172.2177.50000109.9A215 I216 Y217 F256V168-A215 HydrophobicContact CG1-CB 3.79Å; V168-I216 CarbonylContact C-O 3.42Å; V168-I216 VanDerWaalsContact CA-O 3.29Å; V168-I216 WeakPolarHBondContact CA-O 3.22Å; V168-Y217 HydrophobicContact CG2-CD2 3.73Å; V168-F256 HydrophobicContact CB-CB 4.43Å; V168-F256 HydrophobicContact CB-CD2 4.08Å; V168-F256 HydrophobicContact CB-CG 4.44Å; V168-F256 HydrophobicContact CG1-CB 4.29Å; V168-F256 HydrophobicContact CG1-CD1 4.5Å; V168-F256 HydrophobicContact CG1-CD2 3.63Å; V168-F256 HydrophobicContact CG1-CE2 4Å; V168-F256 HydrophobicContact CG1-CG 3.9Å; V168-F256 HydrophobicContact CG2-CB 4.08Å
169E98.1Very high95.7Very high75 Ų7576.6 Ų76.635%0.3539%0.387SS..EExtended strand (participates in β ladder)trans-111145168.1-58.5-166.1176.400110.6I167 K171 A215 I216 Y218I167-E169 HydrophobicContact CD1-CG 4.47Å; E169-K171 WeakPolarHBondContact OE2-CE 3.36Å; E169-K171 IonicContact OE2-NZ 2.79Å; E169-K171 PolarHBondContact OE2-NZ 2.92Å; E169-A215 WeakPolarHBondContact O-CA 3.34Å; E169-I216 PolarHBondContact N-O 3.32Å; E169-I216 PolarHBondContact O-N 3.31Å; E169-Y218 HydrophobicContact CB-CD2 4.48Å; E169-Y218 HydrophobicContact CB-CE2 3.96Å; E169-Y218 HydrophobicContact CG-CD2 4.18Å; E169-Y218 HydrophobicContact CG-CE2 3.98Å
170R98.1Very high95.9Very high170 Ų17079.6 Ų79.664%0.64240%0.399SS*.EExtended strand (participates in β ladder)trans-92.2131.5171.1-68.1179-66.5166.50.3109I213 A214 Y230 F256R170-I213 HydrophobicContact CB-CG2 3.98Å; R170-I213 HydrophobicContact CG-CG2 4.15Å; R170-A214 CarbonylContact C-O 3.5Å; R170-A214 WeakPolarHBondContact CA-O 3.49Å; R170-Y230 VanDerWaalsContact CD-OH 3.25Å; R170-Y230 WeakPolarHBondContact CD-OH 3.21Å; R170-F256 HydrophobicContact CG-CE2 4.23Å; R170-F256 HydrophobicContact CG-CZ 3.96Å
171K97.2Very high96.3Very high63 Ų6371.7 Ų71.727%0.27436%0.364SS..EExtended strand (participates in β ladder)trans-136.2170.9179.6-57.5-66.9-177.2179.80110.3E169 D175 A214 I216E169-K171 WeakPolarHBondContact OE2-CE 3.36Å; E169-K171 IonicContact OE2-NZ 2.79Å; E169-K171 PolarHBondContact OE2-NZ 2.92Å; K171-D175 HydrophobicContact CB-CB 3.82Å; K171-D175 WeakPolarHBondContact CD-OD2 3.4Å; K171-D175 HydrophobicContact CG-CB 4.35Å; K171-A214 PolarHBondContact N-O 3.26Å; K171-A214 PolarHBondContact O-N 3.05Å; K171-I216 HydrophobicContact CB-CD1 4.12Å; K171-I216 HydrophobicContact CG-CD1 3.78Å; K171-I216 HydrophobicContact CG-CG1 4.32Å
172E96Very high96.6Very high119 Ų11965.9 Ų65.956%0.55634%0.337SS*.  trans-66.4157165.8-55.9-54.3141.400110.2D174 D175E172-D174 VanDerWaalsContact CB-OD1 3.24Å; E172-D174 WeakPolarHBondContact CB-OD1 3.29Å; E172-D174 PolarHBondContact O-N 3.48Å; E172-D175 WeakPolarHBondContact O-CB 3.5Å; E172-D175 PolarHBondContact O-N 3.49Å
173V95.2Very high96.8Very high3 Ų367 Ų672%0.01834%0.337CS..THydrogen-bonded Turntrans-71.3-15.4-175.5-65.30000114.3W204 E209 R212 F229V173-W204 HydrophobicContact CB-CH2 4.12Å; V173-W204 HydrophobicContact CB-CZ2 3.52Å; V173-W204 HydrophobicContact CG1-CH2 3.73Å; V173-W204 HydrophobicContact CG1-CZ2 3.64Å; V173-W204 HydrophobicContact CG1-CZ3 4.49Å; V173-W204 HydrophobicContact CG2-CD2 4.34Å; V173-W204 HydrophobicContact CG2-CZ2 4.1Å; V173-E209 HydrophobicContact CG2-CB 3.98Å; V173-E209 HydrophobicContact CG2-CG 4.15Å; V173-R212 HydrophobicContact CG1-CB 3.78Å; V173-F229 HydrophobicContact CB-CE1 4.42Å; V173-F229 HydrophobicContact CG1-CD1 4.24Å; V173-F229 HydrophobicContact CG1-CE1 4.46Å
174D93.8Very high97Very high89 Ų8961.4 Ų61.448%0.47631%0.306SS..THydrogen-bonded Turntrans-101.210.1178.567.5-15.6000113.3E172 Y179E172-D174 VanDerWaalsContact CB-OD1 3.24Å; E172-D174 WeakPolarHBondContact CB-OD1 3.29Å; E172-D174 PolarHBondContact O-N 3.48Å; D174-Y179 WeakPolarHBondContact CA-OH 3.28Å; D174-Y179 VanDerWaalsContact CB-OH 3.31Å; D174-Y179 WeakPolarHBondContact CB-OH 3.45Å
175D96.4Very high97.1Very high35 Ų3561.5 Ų61.519%0.18731%0.305CS..  trans-58.3136.5177.3-172.6-72.7000111K171 E172 D177 V178 I216K171-D175 HydrophobicContact CB-CB 3.82Å; K171-D175 WeakPolarHBondContact CD-OD2 3.4Å; K171-D175 HydrophobicContact CG-CB 4.35Å; E172-D175 WeakPolarHBondContact O-CB 3.5Å; E172-D175 PolarHBondContact O-N 3.49Å; D175-D177 PolarHBondContact O-N 2.73Å; D175-D177 WeakPolarHBondContact OD1-CB 3.18Å; D175-D177 PolarHBondContact OD1-N 3.25Å; D175-V178 HydrophobicContact CB-CG2 4.24Å; D175-V178 VanDerWaalsContact O-CB 3.24Å; D175-V178 WeakPolarHBondContact O-CB 3.22Å; D175-V178 PolarHBondContact O-N 2.98Å; D175-I216 HydrophobicContact CB-CD1 4.44Å
176P97Very high97.2Very high95 Ų9557.4 Ų57.462%0.61728%0.278SS*.Hα-helixtrans-53-32.3-178.3-28.835.6000114.8V178 Y179 Q180P176-V178 VanDerWaalsContact C-N 3.29Å; P176-V178 PolarHBondContact O-N 2.9Å; P176-Y179 PolarHBondContact O-N 2.84Å; P176-Q180 PolarHBondContact O-N 3.16Å
177D97.8Very high97.2Very high41 Ų4159.7 Ų59.722%0.21929%0.287CS..Hα-helixtrans-68.6-29.3178.8-72.6-14.3000111.7D175 Q180 V181 I216 Y218 P224D175-D177 PolarHBondContact O-N 2.73Å; D175-D177 WeakPolarHBondContact OD1-CB 3.18Å; D175-D177 PolarHBondContact OD1-N 3.25Å; D177-Q180 PolarHBondContact O-N 3.03Å; D177-V181 VanDerWaalsContact O-CG2 3.26Å; D177-V181 WeakPolarHBondContact O-CG2 3.38Å; D177-V181 PolarHBondContact O-N 3.48Å; D177-I216 HydrophobicContact CB-CD1 3.85Å; D177-Y218 WeakPolarHBondContact OD2-CE1 3.46Å; D177-Y218 VanDerWaalsContact OD2-CZ 3.24Å; D177-Y218 PolarHBondContact OD2-OH 3.49Å; D177-P224 HydrophobicContact CB-CB 3.99Å; D177-P224 HydrophobicContact CB-CG 4.03Å
178V97.7Very high97Very high0 Ų060.8 Ų60.80%029%0.294CS..Hα-helixtrans-61.1-48.5172.8173.20000110.2D175 P176 V181 Y182 W200 A214 I216 V227 F229 F243D175-V178 HydrophobicContact CB-CG2 4.24Å; D175-V178 VanDerWaalsContact O-CB 3.24Å; D175-V178 WeakPolarHBondContact O-CB 3.22Å; D175-V178 PolarHBondContact O-N 2.98Å; P176-V178 VanDerWaalsContact C-N 3.29Å; P176-V178 PolarHBondContact O-N 2.9Å; V178-V181 PolarHBondContact O-N 3.29Å; V178-Y182 WeakPolarHBondContact O-CB 3.32Å; V178-Y182 PolarHBondContact O-N 2.92Å; V178-W200 HydrophobicContact CG1-CH2 4.31Å; V178-A214 HydrophobicContact CG2-CB 3.78Å; V178-I216 HydrophobicContact CG2-CD1 3.72Å; V178-I216 HydrophobicContact CG2-CG1 4.24Å; V178-V227 HydrophobicContact CG1-CG1 4.3Å; V178-V227 HydrophobicContact CG2-CG1 4.23Å; V178-V227 HydrophobicContact CG2-CG2 4.41Å; V178-F229 HydrophobicContact CG1-CE1 3.69Å; V178-F229 HydrophobicContact CG1-CZ 3.48Å; V178-F229 VanDerWaalsContact CG1-CZ 3.48Å; V178-F229 HydrophobicContact CG2-CE1 4.4Å; V178-F243 HydrophobicContact CG1-CZ 4.34Å
179Y97.2Very high96.8Very high86 Ų8660.7 Ų60.734%0.33729%0.292SS..Hα-helixtrans-66.1-39.7-179.4-59.4-22.2000111.6D174 P176 H183 W200D174-Y179 WeakPolarHBondContact CA-OH 3.28Å; D174-Y179 VanDerWaalsContact CB-OH 3.31Å; D174-Y179 WeakPolarHBondContact CB-OH 3.45Å; P176-Y179 PolarHBondContact O-N 2.84Å; Y179-H183 VanDerWaalsContact O-CB 3.31Å; Y179-H183 WeakPolarHBondContact O-CB 3.37Å; Y179-H183 PolarHBondContact O-N 3.26Å; Y179-W200 AromaticContact CD1-CD1 3.92Å; Y179-W200 AromaticContact CD1-CD2 3.94Å; Y179-W200 HydrophobicContact CD1-CD2 3.94Å; Y179-W200 AromaticContact CD1-CE2 3.5Å; Y179-W200 HydrophobicContact CD1-CG 4.18Å; Y179-W200 AromaticContact CD1-CZ2 3.85Å; Y179-W200 HydrophobicContact CD1-CZ2 3.85Å; Y179-W200 AromaticContact CD1-NE1 3.5Å; Y179-W200 HydrophobicContact CE1-CB 4.38Å; Y179-W200 AromaticContact CE1-CD1 3.87Å; Y179-W200 AromaticContact CE1-CD2 3.73Å; Y179-W200 HydrophobicContact CE1-CD2 3.73Å; Y179-W200 AromaticContact CE1-CE2 3.81Å; Y179-W200 HydrophobicContact CE1-CE3 4.28Å; Y179-W200 AromaticContact CE1-CG 3.77Å; Y179-W200 HydrophobicContact CE1-CG 3.77Å; Y179-W200 HydrophobicContact CE1-CZ2 4.41Å; Y179-W200 AromaticContact CE1-NE1 3.89Å
180Q96.9Very high96.7Very high83 Ų8361.7 Ų61.739%0.38830%0.296SS..Hα-helixtrans-60.8-50.9175.2-177.5-178.5-18.900111.5P176 D177 Y182 H183 E184P176-Q180 PolarHBondContact O-N 3.16Å; D177-Q180 PolarHBondContact O-N 3.03Å; Q180-Y182 VanDerWaalsContact C-N 3.34Å; Q180-Y182 PolarHBondContact O-N 3.49Å; Q180-H183 PolarHBondContact O-N 2.94Å; Q180-E184 PolarHBondContact NE2-OE1 3.28Å; Q180-E184 PolarHBondContact O-N 3.19Å
181V98.2Very high96.7Very high0 Ų054.5 Ų54.50%028%0.275CS..Hα-helixtrans-63-42.8-178.71760000110.8D177 V178 H183 E184 F185 P224 V227 F243 L245D177-V181 VanDerWaalsContact O-CG2 3.26Å; D177-V181 WeakPolarHBondContact O-CG2 3.38Å; D177-V181 PolarHBondContact O-N 3.48Å; V178-V181 PolarHBondContact O-N 3.29Å; V181-H183 VanDerWaalsContact C-N 3.34Å; V181-H183 PolarHBondContact O-N 3.45Å; V181-E184 PolarHBondContact O-N 2.83Å; V181-F185 VanDerWaalsContact O-CB 3.28Å; V181-F185 WeakPolarHBondContact O-CB 3.43Å; V181-F185 PolarHBondContact O-N 3.49Å; V181-P224 HydrophobicContact CG2-CB 3.62Å; V181-P224 HydrophobicContact CG2-CG 4.11Å; V181-V227 HydrophobicContact CB-CG2 3.87Å; V181-V227 HydrophobicContact CG1-CG2 3.95Å; V181-V227 HydrophobicContact CG2-CG2 4.24Å; V181-F243 HydrophobicContact CB-CE2 4.23Å; V181-F243 HydrophobicContact CG1-CD2 3.91Å; V181-F243 HydrophobicContact CG1-CE2 3.87Å; V181-L245 HydrophobicContact CG1-CG 4.31Å
182Y98.3Very high96.7Very high12 Ų1252.2 Ų52.25%0.04727%0.268CS..Hα-helixtrans-64.6-39.1177.5-176.3-93.7000112V178 Q180 F185 A186 M193 R195 W200 F243V178-Y182 WeakPolarHBondContact O-CB 3.32Å; V178-Y182 PolarHBondContact O-N 2.92Å; Q180-Y182 VanDerWaalsContact C-N 3.34Å; Q180-Y182 PolarHBondContact O-N 3.49Å; Y182-F185 HydrophobicContact CD2-CD1 4.38Å; Y182-F185 HydrophobicContact CE2-CD1 4.33Å; Y182-F185 WeakPolarHBondContact O-CB 3.33Å; Y182-F185 PolarHBondContact O-N 3.47Å; Y182-A186 HydrophobicContact CD1-CB 4.41Å; Y182-A186 HydrophobicContact CE1-CB 4.03Å; Y182-A186 VanDerWaalsContact O-CB 3.29Å; Y182-A186 WeakPolarHBondContact O-CB 3.39Å; Y182-A186 PolarHBondContact O-N 3.01Å; Y182-M193 WeakPolarHBondContact CE1-O 3.37Å; Y182-M193 PolarHBondContact OH-O 3.37Å; Y182-R195 HydrophobicContact CD1-CB 4.25Å; Y182-R195 HydrophobicContact CD1-CG 4.29Å; Y182-R195 HydrophobicContact CE1-CB 3.84Å; Y182-R195 VanDerWaalsContact CE1-CD 3.41Å; Y182-R195 HydrophobicContact CE1-CG 3.48Å; Y182-R195 VanDerWaalsContact CE1-CG 3.48Å; Y182-R195 VanDerWaalsContact CE2-NH1 3.29Å; Y182-R195 VanDerWaalsContact OH-CZ 3.27Å; Y182-R195 PolarHBondContact OH-NE 3.27Å; Y182-R195 PolarHBondContact OH-NH2 3.49Å; Y182-W200 HydrophobicContact CD1-CH2 4.13Å; Y182-W200 AromaticContact CD1-CZ2 3.52Å; Y182-W200 HydrophobicContact CD1-CZ2 3.52Å; Y182-W200 AromaticContact CD2-CH2 3.92Å; Y182-W200 HydrophobicContact CD2-CH2 3.92Å; Y182-W200 HydrophobicContact CD2-CZ2 4.15Å; Y182-W200 HydrophobicContact CE1-CZ2 4.32Å; Y182-W200 AromaticContact CG-CH2 3.66Å; Y182-W200 HydrophobicContact CG-CH2 3.66Å; Y182-W200 AromaticContact CG-CZ2 3.42Å; Y182-W200 HydrophobicContact CG-CZ2 3.42Å; Y182-W200 VanDerWaalsContact CG-CZ2 3.42Å; Y182-F243 HydrophobicContact CD2-CD1 4.36Å; Y182-F243 HydrophobicContact CD2-CD2 4.34Å; Y182-F243 HydrophobicContact CD2-CE1 4.17Å; Y182-F243 HydrophobicContact CD2-CE2 4.14Å; Y182-F243 HydrophobicContact CD2-CG 4.45Å; Y182-F243 HydrophobicContact CD2-CZ 4.05Å; Y182-F243 HydrophobicContact CG-CE2 4.46Å; Y182-F243 HydrophobicContact CG-CZ 4.5Å
183H97.6Very high96.7Very high92 Ų9248.9 Ų48.943%0.42625%0.253SS..Hα-helixtrans-61.8-48.6177-17670.4000111.3Y179 Q180 V181 F185 A186 L187Y179-H183 VanDerWaalsContact O-CB 3.31Å; Y179-H183 WeakPolarHBondContact O-CB 3.37Å; Y179-H183 PolarHBondContact O-N 3.26Å; Q180-H183 PolarHBondContact O-N 2.94Å; V181-H183 VanDerWaalsContact C-N 3.34Å; V181-H183 PolarHBondContact O-N 3.45Å; H183-F185 VanDerWaalsContact C-N 3.31Å; H183-F185 PolarHBondContact O-N 3.48Å; H183-A186 PolarHBondContact O-N 2.79Å; H183-L187 WeakPolarHBondContact O-CG 3.46Å; H183-L187 PolarHBondContact O-N 2.88Å; H183-L187 VanDerWaalsContact O-N 3.09Å
184E97.5Very high96.8Very high48 Ų4849.4 Ų49.422%0.22426%0.256CS..Hα-helixtrans-61.1-39.5174.3-70.6-172.6-14300111.5Q180 V181 N188 K223 L245Q180-E184 PolarHBondContact NE2-OE1 3.28Å; Q180-E184 PolarHBondContact O-N 3.19Å; V181-E184 PolarHBondContact O-N 2.83Å; E184-N188 PolarHBondContact O-N 3.3Å; E184-N188 PolarHBondContact O-ND2 2.53Å; E184-K223 WeakPolarHBondContact OE1-CE 3.4Å; E184-K223 IonicContact OE1-NZ 3.42Å; E184-K223 PolarHBondContact OE1-NZ 3.31Å; E184-K223 IonicContact OE2-NZ 3.62Å; E184-K223 PolarHBondContact OE2-NZ 2.94Å; E184-L245 HydrophobicContact CB-CD1 3.87Å; E184-L245 HydrophobicContact CB-CD2 3.78Å; E184-L245 WeakPolarHBondContact OE2-CD1 3.48Å
185F97.8Very high96.9Very high37 Ų3747.4 Ų47.416%0.16224%0.241CC..Hα-helixtrans-62.7-49.5175.6171.8-93.6000111.3V181 Y182 H183 L187 N188 N189 F243 L245V181-F185 VanDerWaalsContact O-CB 3.28Å; V181-F185 WeakPolarHBondContact O-CB 3.43Å; V181-F185 PolarHBondContact O-N 3.49Å; Y182-F185 HydrophobicContact CD2-CD1 4.38Å; Y182-F185 HydrophobicContact CE2-CD1 4.33Å; Y182-F185 WeakPolarHBondContact O-CB 3.33Å; Y182-F185 PolarHBondContact O-N 3.47Å; H183-F185 VanDerWaalsContact C-N 3.31Å; H183-F185 PolarHBondContact O-N 3.48Å; F185-L187 VanDerWaalsContact C-N 3.29Å; F185-L187 PolarHBondContact O-N 3.36Å; F185-N188 PolarHBondContact O-N 3.42Å; F185-N189 WeakPolarHBondContact CD2-ND2 3.46Å; F185-N189 HydrophobicContact CE1-CB 4.27Å; F185-N189 HydrophobicContact CE2-CB 4.37Å; F185-N189 VanDerWaalsContact CE2-ND2 3.34Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.44Å; F185-N189 HydrophobicContact CZ-CB 4.12Å; F185-N189 WeakPolarHBondContact O-CB 3.31Å; F185-N189 PolarHBondContact O-N 3.48Å; F185-N189 PolarHBondContact O-ND2 2.93Å; F185-F243 HydrophobicContact CB-CD2 4.39Å; F185-F243 HydrophobicContact CD1-CB 4.18Å; F185-F243 HydrophobicContact CD2-CB 3.83Å; F185-F243 HydrophobicContact CE1-CB 4.23Å; F185-F243 HydrophobicContact CE2-CB 3.87Å; F185-F243 HydrophobicContact CG-CB 3.98Å; F185-F243 HydrophobicContact CG-CD2 4.48Å; F185-F243 HydrophobicContact CZ-CB 4.08Å; F185-L245 HydrophobicContact CB-CD2 3.94Å
186A97.8Very high96.7Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-64.1-33.6-176.500000112.2N82 Y182 H183 N188 A192 I194N82-A186 WeakPolarHBondContact CB-O 3.45Å; N82-A186 PolarHBondContact ND2-O 3.28Å; Y182-A186 HydrophobicContact CD1-CB 4.41Å; Y182-A186 HydrophobicContact CE1-CB 4.03Å; Y182-A186 VanDerWaalsContact O-CB 3.29Å; Y182-A186 WeakPolarHBondContact O-CB 3.39Å; Y182-A186 PolarHBondContact O-N 3.01Å; H183-A186 PolarHBondContact O-N 2.79Å; A186-N188 VanDerWaalsContact C-N 3.3Å; A186-N188 PolarHBondContact O-N 3.07Å; A186-A192 HydrophobicContact CB-CB 3.82Å; A186-I194 HydrophobicContact CB-CD1 3.95Å
187L96.1Very high96.2Very high63 Ų6355.5 Ų55.533%0.3327%0.267SS..Hα-helixtrans-69.5-23.5174.4-69.6178.3000114N82 L87 H183 F185 I194N82-L187 PolarHBondContact ND2-O 2.85Å; L87-L187 HydrophobicContact CD2-CD2 3.95Å; H183-L187 WeakPolarHBondContact O-CG 3.46Å; H183-L187 PolarHBondContact O-N 2.88Å; H183-L187 VanDerWaalsContact O-N 3.09Å; F185-L187 VanDerWaalsContact C-N 3.29Å; F185-L187 PolarHBondContact O-N 3.36Å; L187-I194 HydrophobicContact CD2-CD1 4.06Å
188N94.1Very high95.7Very high124 Ų12454.3 Ų54.366%0.66326%0.261SS*.Hα-helixtrans-104.6-4.6-177.9-69.6-65.1000114E184 F185 A186E184-N188 PolarHBondContact O-N 3.3Å; E184-N188 PolarHBondContact O-ND2 2.53Å; F185-N188 PolarHBondContact O-N 3.42Å; A186-N188 VanDerWaalsContact C-N 3.3Å; A186-N188 PolarHBondContact O-N 3.07Å
189N94.6Very high95.4Very high40 Ų4054.9 Ų54.921%0.21426%0.264CS..SBendtrans-121.8115.2-176.8-70.3-90000111.1N82 F185 A192N82-N189 PolarHBondContact ND2-O 2.82Å; F185-N189 WeakPolarHBondContact CD2-ND2 3.46Å; F185-N189 HydrophobicContact CE1-CB 4.27Å; F185-N189 HydrophobicContact CE2-CB 4.37Å; F185-N189 VanDerWaalsContact CE2-ND2 3.34Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.44Å; F185-N189 HydrophobicContact CZ-CB 4.12Å; F185-N189 WeakPolarHBondContact O-CB 3.31Å; F185-N189 PolarHBondContact O-N 3.48Å; F185-N189 PolarHBondContact O-ND2 2.93Å; N189-A192 VanDerWaalsContact O-CB 3.28Å; N189-A192 WeakPolarHBondContact O-CB 3.35Å; N189-A192 PolarHBondContact O-N 2.83Å
190H96.2Very high95.2Very high96 Ų9651.4 Ų51.444%0.44425%0.25SS..THydrogen-bonded Turntrans-54.7138176.3167.288.2000112H84 A192H84-H190 AromaticContact CD2-CE1 3.74Å; H84-H190 AromaticContact CD2-ND1 3.32Å; H84-H190 PolarHBondContact CD2-ND1 2.81Å; H84-H190 VanDerWaalsContact CD2-ND1 3.32Å; H84-H190 AromaticContact CE1-CG 3.73Å; H84-H190 AromaticContact CE1-ND1 3.53Å; H84-H190 AromaticContact CG-ND1 3.61Å; H84-H190 PolarHBondContact N-ND1 3.4Å; H84-H190 AromaticContact ND1-CG 3.96Å; H84-H190 AromaticContact ND1-ND1 3.74Å; H84-H190 AromaticContact NE2-CE1 3.43Å; H84-H190 PolarHBondContact NE2-CE1 3.1Å; H84-H190 AromaticContact NE2-CG 3.9Å; H84-H190 AromaticContact NE2-ND1 3.25Å; H84-H190 PolarHBondContact NE2-ND1 3.26Å; H190-A192 VanDerWaalsContact C-N 3.28Å; H190-A192 PolarHBondContact O-N 3.18Å
191G96.3Very high94.7Very high19 Ų1951.8 Ų51.820%0.19625%0.252CS..THydrogen-bonded Turntrans85.3-9.3178.700000114.3N82N82-G191 WeakPolarHBondContact O-CA 3.38Å; N82-G191 PolarHBondContact O-N 2.71Å
192A97.4Very high94Very high15 Ų1553.7 Ų53.712%0.12426%0.261CS..  trans-69.9140.2-179.900000111.9V81 N82 A186 N189 H190V81-A192 CarbonylContact C-O 3.58Å; V81-A192 WeakPolarHBondContact CA-O 3.08Å; N82-A192 PolarHBondContact N-O 2.71Å; A186-A192 HydrophobicContact CB-CB 3.82Å; N189-A192 VanDerWaalsContact O-CB 3.28Å; N189-A192 WeakPolarHBondContact O-CB 3.35Å; N189-A192 PolarHBondContact O-N 2.83Å; H190-A192 VanDerWaalsContact C-N 3.28Å; H190-A192 PolarHBondContact O-N 3.18Å
193M97.5Very high93.6Very high48 Ų4855 Ų5524%0.23627%0.266CS..BIsolated β-bridgetrans-79.5134.8173.9-178.7-177.5-69.800110.1C79 M90 Y182 R195 N199C79-M193 HydrophobicContact CB-CE 4.34Å; M90-M193 HydrophobicContact CE-CE 3.94Å; Y182-M193 WeakPolarHBondContact CE1-O 3.37Å; Y182-M193 PolarHBondContact OH-O 3.37Å; M193-R195 HydrophobicContact CG-CG 4.46Å; M193-R195 PolarHBondContact O-N 2.98Å; M193-N199 HydrophobicContact SD-CB 4.26Å
194I97.6Very high93.2Very high15 Ų1550.7 Ų50.78%0.07725%0.246CC..  trans-77.5102.6167.7-52.8-52.9000107.5E80 L87 A186 L187E80-I194 HydrophobicContact CB-CB 4.19Å; E80-I194 HydrophobicContact CB-CG1 4.43Å; E80-I194 HydrophobicContact CG-CB 4.3Å; E80-I194 HydrophobicContact CG-CG1 4.06Å; E80-I194 PolarHBondContact O-N 3.27Å; L87-I194 HydrophobicContact CD2-CD1 3.79Å; L87-I194 HydrophobicContact CD2-CG1 3.71Å; A186-I194 HydrophobicContact CB-CD1 3.95Å; L187-I194 HydrophobicContact CD2-CD1 4.06Å
195R95.6Very high92.5Very high47 Ų4749.6 Ų49.618%0.17724%0.24CC..  trans-81.5123.8-175.3-71.3-178.2-175.7154.73.1111.4Y182 M193 N199 W200Y182-R195 HydrophobicContact CD1-CB 4.25Å; Y182-R195 HydrophobicContact CD1-CG 4.29Å; Y182-R195 HydrophobicContact CE1-CB 3.84Å; Y182-R195 VanDerWaalsContact CE1-CD 3.41Å; Y182-R195 HydrophobicContact CE1-CG 3.48Å; Y182-R195 VanDerWaalsContact CE1-CG 3.48Å; Y182-R195 VanDerWaalsContact CE2-NH1 3.29Å; Y182-R195 VanDerWaalsContact OH-CZ 3.27Å; Y182-R195 PolarHBondContact OH-NE 3.27Å; Y182-R195 PolarHBondContact OH-NH2 3.49Å; M193-R195 HydrophobicContact CG-CG 4.46Å; M193-R195 PolarHBondContact O-N 2.98Å; R195-N199 HydrophobicContact CB-CB 3.83Å; R195-N199 HydrophobicContact CG-CB 3.81Å; R195-W200 HydrophobicContact CB-CD2 4.46Å; R195-W200 HydrophobicContact CB-CG 4.43Å; R195-W200 VanDerWaalsContact NH1-CH2 3.3Å
196K90.8Very high91.4Very high144 Ų14451.3 Ų51.363%0.62625%0.248SC*.  trans-90.8177.8161.5-60.1177.6-176.7173.40109.7L198 N199 W200K196-L198 PolarHBondContact O-N 2.94Å; K196-N199 PolarHBondContact N-OD1 3.24Å; K196-N199 WeakPolarHBondContact O-CA 3.35Å; K196-N199 WeakPolarHBondContact O-CB 3.34Å; K196-N199 PolarHBondContact O-N 2.86Å; K196-W200 PolarHBondContact O-N 2.76Å; K196-W200 VanDerWaalsContact O-N 3.14Å
197E88.2Confident90.6Very high155 Ų15553.2 Ų53.272%0.72426%0.256SS*.Hα-helixtrans-49.1-53.8179.1-171.9173.4-167.900112.6N199 W200 E201E197-N199 PolarHBondContact O-N 3Å; E197-W200 WeakPolarHBondContact O-CB 3.26Å; E197-W200 PolarHBondContact O-N 3.26Å; E197-E201 PolarHBondContact O-N 2.8Å
198L86.7Confident89.7Confident16 Ų1652.8 Ų52.88%0.08426%0.255CS..Hα-helixtrans-58.6-34.9177.2178.161.8000112.7P54 V55 Q58 Y77 K196 W200 E201 E202P54-L198 HydrophobicContact CB-CD1 3.67Å; P54-L198 HydrophobicContact CB-CD2 4.48Å; V55-L198 HydrophobicContact CG2-CD2 4.12Å; V55-L198 HydrophobicContact CG2-CG 4.43Å; Q58-L198 HydrophobicContact CG-CD2 4.2Å; Y77-L198 HydrophobicContact CE2-CD2 4.09Å; K196-L198 PolarHBondContact O-N 2.94Å; L198-W200 VanDerWaalsContact C-N 3.3Å; L198-W200 PolarHBondContact O-N 3.15Å; L198-E201 PolarHBondContact O-N 3.09Å; L198-E202 HydrophobicContact CD1-CG 4.32Å; L198-E202 HydrophobicContact CG-CG 4.4Å; L198-E202 VanDerWaalsContact O-CG 3.29Å; L198-E202 WeakPolarHBondContact O-CG 3.35Å; L198-E202 PolarHBondContact O-N 3.14Å
199N91.2Very high89Confident13 Ų1350.5 Ų50.57%0.0724%0.24CC..Hα-helixtrans-68.4-32.7178.7-54.9118000112.2Y77 M193 R195 K196 E197 Y203Y77-N199 WeakPolarHBondContact CE1-ND2 3.39Å; Y77-N199 PolarHBondContact OH-ND2 3.37Å; M193-N199 HydrophobicContact SD-CB 4.26Å; R195-N199 HydrophobicContact CB-CB 3.83Å; R195-N199 HydrophobicContact CG-CB 3.81Å; K196-N199 PolarHBondContact N-OD1 3.24Å; K196-N199 WeakPolarHBondContact O-CA 3.35Å; K196-N199 WeakPolarHBondContact O-CB 3.34Å; K196-N199 PolarHBondContact O-N 2.86Å; E197-N199 PolarHBondContact O-N 3Å; N199-Y203 WeakPolarHBondContact O-CB 3.42Å; N199-Y203 PolarHBondContact O-N 2.86Å
200W92.8Very high88.2Confident12 Ų1257 Ų575%0.04527%0.269CS..Hα-helixtrans-70-44.6172.3-78.2115.2000111.7V178 Y179 Y182 R195 K196 E197 L198 E202 Y203 W204 F229V178-W200 HydrophobicContact CG1-CH2 4.31Å; Y179-W200 AromaticContact CD1-CD1 3.92Å; Y179-W200 AromaticContact CD1-CD2 3.94Å; Y179-W200 HydrophobicContact CD1-CD2 3.94Å; Y179-W200 AromaticContact CD1-CE2 3.5Å; Y179-W200 HydrophobicContact CD1-CG 4.18Å; Y179-W200 AromaticContact CD1-CZ2 3.85Å; Y179-W200 HydrophobicContact CD1-CZ2 3.85Å; Y179-W200 AromaticContact CD1-NE1 3.5Å; Y179-W200 HydrophobicContact CE1-CB 4.38Å; Y179-W200 AromaticContact CE1-CD1 3.87Å; Y179-W200 AromaticContact CE1-CD2 3.73Å; Y179-W200 HydrophobicContact CE1-CD2 3.73Å; Y179-W200 AromaticContact CE1-CE2 3.81Å; Y179-W200 HydrophobicContact CE1-CE3 4.28Å; Y179-W200 AromaticContact CE1-CG 3.77Å; Y179-W200 HydrophobicContact CE1-CG 3.77Å; Y179-W200 HydrophobicContact CE1-CZ2 4.41Å; Y179-W200 AromaticContact CE1-NE1 3.89Å; Y182-W200 HydrophobicContact CD1-CH2 4.13Å; Y182-W200 AromaticContact CD1-CZ2 3.52Å; Y182-W200 HydrophobicContact CD1-CZ2 3.52Å; Y182-W200 AromaticContact CD2-CH2 3.92Å; Y182-W200 HydrophobicContact CD2-CH2 3.92Å; Y182-W200 HydrophobicContact CD2-CZ2 4.15Å; Y182-W200 HydrophobicContact CE1-CZ2 4.32Å; Y182-W200 AromaticContact CG-CH2 3.66Å; Y182-W200 HydrophobicContact CG-CH2 3.66Å; Y182-W200 AromaticContact CG-CZ2 3.42Å; Y182-W200 HydrophobicContact CG-CZ2 3.42Å; Y182-W200 VanDerWaalsContact CG-CZ2 3.42Å; R195-W200 HydrophobicContact CB-CD2 4.46Å; R195-W200 HydrophobicContact CB-CG 4.43Å; R195-W200 VanDerWaalsContact NH1-CH2 3.3Å; K196-W200 PolarHBondContact O-N 2.76Å; K196-W200 VanDerWaalsContact O-N 3.14Å; E197-W200 WeakPolarHBondContact O-CB 3.26Å; E197-W200 PolarHBondContact O-N 3.26Å; L198-W200 VanDerWaalsContact C-N 3.3Å; L198-W200 PolarHBondContact O-N 3.15Å; W200-E202 VanDerWaalsContact C-N 3.31Å; W200-E202 PolarHBondContact O-N 3.43Å; W200-Y203 HydrophobicContact CE3-CD1 4.06Å; W200-Y203 HydrophobicContact CZ3-CD1 4.03Å; W200-Y203 HydrophobicContact CZ3-CE1 4.27Å; W200-Y203 WeakPolarHBondContact O-CB 3.36Å; W200-Y203 PolarHBondContact O-N 3.29Å; W200-Y203 VanDerWaalsContact O-N 3.11Å; W200-W204 AromaticContact CE3-NE1 3.99Å; W200-W204 PolarHBondContact O-N 3.34Å; W200-F229 HydrophobicContact CH2-CZ 4.36Å; W200-F229 HydrophobicContact CZ3-CE2 4.16Å; W200-F229 HydrophobicContact CZ3-CZ 4.09Å
201E86Confident87.7Confident92 Ų9258 Ų5843%0.4327%0.274SS..Hα-helixtrans-57.2-44.2173.4-66.8177-178.100111.4E197 L198 Y203 W204 R205E197-E201 PolarHBondContact O-N 2.8Å; L198-E201 PolarHBondContact O-N 3.09Å; E201-Y203 VanDerWaalsContact C-N 3.34Å; E201-Y203 PolarHBondContact O-N 2.81Å; E201-W204 PolarHBondContact O-N 2.92Å; E201-R205 WeakPolarHBondContact O-CA 3.24Å; E201-R205 VanDerWaalsContact O-CB 3.29Å; E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.26Å
202E84.5Confident87.5Confident39 Ų3958.1 Ų58.118%0.18227%0.268CS..Hα-helixtrans-63.6-38.3175.5-70.4-55.8144.400112.9V55 L198 W200 W204 R205V55-E202 HydrophobicContact CG2-CG 3.52Å; V55-E202 WeakPolarHBondContact CG2-OE1 3.22Å; L198-E202 HydrophobicContact CD1-CG 4.32Å; L198-E202 HydrophobicContact CG-CG 4.4Å; L198-E202 VanDerWaalsContact O-CG 3.29Å; L198-E202 WeakPolarHBondContact O-CG 3.35Å; L198-E202 PolarHBondContact O-N 3.14Å; W200-E202 VanDerWaalsContact C-N 3.31Å; W200-E202 PolarHBondContact O-N 3.43Å; E202-W204 VanDerWaalsContact C-N 3.3Å; E202-W204 PolarHBondContact O-N 3.18Å; E202-R205 IonicContact OE1-CZ 2.98Å; E202-R205 IonicContact OE1-NE 2.75Å; E202-R205 IonicContact OE1-NH1 2.97Å; E202-R205 PolarHBondContact OE1-NH1 3.24Å; E202-R205 IonicContact OE1-NH2 3.19Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 3.45Å; E202-R205 IonicContact OE2-NE 2.8Å; E202-R205 IonicContact OE2-NH1 2.85Å; E202-R205 PolarHBondContact OE2-NH1 2.85Å; E202-R205 IonicContact OE2-NH2 3.8Å
203Y89.9Confident87.5Confident40 Ų4060.1 Ų60.116%0.15728%0.277CS..Hα-helixtrans-65.4-37-179.1174.6-99.1000111.8N199 W200 E201 F229 K240 E241N199-Y203 WeakPolarHBondContact O-CB 3.42Å; N199-Y203 PolarHBondContact O-N 2.86Å; W200-Y203 HydrophobicContact CE3-CD1 4.06Å; W200-Y203 HydrophobicContact CZ3-CD1 4.03Å; W200-Y203 HydrophobicContact CZ3-CE1 4.27Å; W200-Y203 WeakPolarHBondContact O-CB 3.36Å; W200-Y203 PolarHBondContact O-N 3.29Å; W200-Y203 VanDerWaalsContact O-N 3.11Å; E201-Y203 VanDerWaalsContact C-N 3.34Å; E201-Y203 PolarHBondContact O-N 2.81Å; Y203-F229 HydrophobicContact CE1-CD2 4.09Å; Y203-F229 AromaticContact CE1-CE2 3.82Å; Y203-F229 HydrophobicContact CE1-CE2 3.82Å; Y203-K240 HydrophobicContact CE1-CD 4.31Å; Y203-K240 WeakPolarHBondContact OH-CE 3.49Å; Y203-E241 PolarHBondContact OH-OE2 3.03Å
204W89.5Confident87.5Confident2 Ų257.9 Ų57.91%0.00827%0.265CS..Hα-helixtrans-92.4-14.9179.1-72.1123000114.5V173 W200 E201 E202 F206 E207 E209 R212 F229 K240V173-W204 HydrophobicContact CB-CH2 4.12Å; V173-W204 HydrophobicContact CB-CZ2 3.52Å; V173-W204 HydrophobicContact CG1-CH2 3.73Å; V173-W204 HydrophobicContact CG1-CZ2 3.64Å; V173-W204 HydrophobicContact CG1-CZ3 4.49Å; V173-W204 HydrophobicContact CG2-CD2 4.34Å; V173-W204 HydrophobicContact CG2-CZ2 4.1Å; W200-W204 AromaticContact CE3-NE1 3.99Å; W200-W204 PolarHBondContact O-N 3.34Å; E201-W204 PolarHBondContact O-N 2.92Å; E202-W204 VanDerWaalsContact C-N 3.3Å; E202-W204 PolarHBondContact O-N 3.18Å; W204-F206 PolarHBondContact O-N 3.08Å; W204-E207 HydrophobicContact CE3-CB 4.22Å; W204-E207 PolarHBondContact O-N 3.12Å; W204-E207 VanDerWaalsContact O-O 3.11Å; W204-E209 VanDerWaalsContact CB-CD 3.44Å; W204-E209 HydrophobicContact CB-CG 3.62Å; W204-E209 HydrophobicContact CD2-CG 4.15Å; W204-E209 HydrophobicContact CE3-CG 4.24Å; W204-E209 HydrophobicContact CG-CG 3.92Å; W204-R212 HydrophobicContact CH2-CB 4.21Å; W204-R212 HydrophobicContact CH2-CG 4.47Å; W204-R212 HydrophobicContact CZ3-CB 4.02Å; W204-R212 HydrophobicContact CZ3-CG 3.82Å; W204-F229 HydrophobicContact CH2-CB 4.01Å; W204-F229 HydrophobicContact CH2-CD1 4.02Å; W204-F229 AromaticContact CH2-CD2 3.92Å; W204-F229 HydrophobicContact CH2-CD2 3.92Å; W204-F229 HydrophobicContact CH2-CE1 4.47Å; W204-F229 HydrophobicContact CH2-CE2 4.35Å; W204-F229 AromaticContact CH2-CG 3.73Å; W204-F229 HydrophobicContact CH2-CG 3.73Å; W204-F229 AromaticContact CZ2-CD1 3.78Å; W204-F229 HydrophobicContact CZ2-CD1 3.78Å; W204-F229 AromaticContact CZ2-CD2 3.75Å; W204-F229 HydrophobicContact CZ2-CD2 3.75Å; W204-F229 AromaticContact CZ2-CE1 3.77Å; W204-F229 HydrophobicContact CZ2-CE1 3.77Å; W204-F229 AromaticContact CZ2-CE2 3.7Å; W204-F229 HydrophobicContact CZ2-CE2 3.7Å; W204-F229 AromaticContact CZ2-CG 3.78Å; W204-F229 HydrophobicContact CZ2-CG 3.78Å; W204-F229 AromaticContact CZ2-CZ 3.72Å; W204-F229 HydrophobicContact CZ2-CZ 3.72Å; W204-K240 HydrophobicContact CE3-CD 4.33Å; W204-K240 HydrophobicContact CH2-CD 3.7Å; W204-K240 HydrophobicContact CZ3-CD 3.46Å; W204-K240 VanDerWaalsContact CZ3-CD 3.46Å; W204-K240 VanDerWaalsContact CZ3-CE 3.43Å
205R81.8Confident87.5Confident25 Ų2557.1 Ų57.19%0.09426%0.262CS..THydrogen-bonded Turntrans-46.7-37-173.2-177.9164-71.4164.32.7116.1Y42 A51 K52 E201 E202Y42-R205 HydrophobicContact CE2-CG 4.21Å; Y42-R205 VanDerWaalsContact CE2-O 3.31Å; Y42-R205 WeakPolarHBondContact CE2-O 3.3Å; Y42-R205 VanDerWaalsContact OH-CG 3.25Å; Y42-R205 WeakPolarHBondContact OH-CG 3.45Å; Y42-R205 PolarHBondContact OH-O 2.92Å; A51-R205 HydrophobicContact CB-CG 4.35Å; A51-R205 PolarHBondContact O-NE 3.09Å; A51-R205 PolarHBondContact O-NH1 3.17Å; A51-R205 PolarHBondContact O-NH2 3.04Å; K52-R205 VanDerWaalsContact CA-NH1 3.28Å; E201-R205 WeakPolarHBondContact O-CA 3.24Å; E201-R205 VanDerWaalsContact O-CB 3.29Å; E201-R205 WeakPolarHBondContact O-CB 3.12Å; E201-R205 PolarHBondContact O-N 3.26Å; E202-R205 IonicContact OE1-CZ 2.98Å; E202-R205 IonicContact OE1-NE 2.75Å; E202-R205 IonicContact OE1-NH1 2.97Å; E202-R205 PolarHBondContact OE1-NH1 3.24Å; E202-R205 IonicContact OE1-NH2 3.19Å; E202-R205 PolarHBondContact OE1-NH2 3Å; E202-R205 IonicContact OE2-CZ 3.45Å; E202-R205 IonicContact OE2-NE 2.8Å; E202-R205 IonicContact OE2-NH1 2.85Å; E202-R205 PolarHBondContact OE2-NH1 2.85Å; E202-R205 IonicContact OE2-NH2 3.8Å
206F75.5Confident87.7Confident72 Ų7254.9 Ų54.932%0.31625%0.253SS..THydrogen-bonded Turntrans-100.722.3-176.3-52.2-66.6000112.4S40 Y42 M48 W204S40-F206 WeakPolarHBondContact CA-O 3.35Å; Y42-F206 HydrophobicContact CE2-CD1 4.17Å; Y42-F206 HydrophobicContact CE2-CE1 4.43Å; M48-F206 HydrophobicContact CE-CE1 4.38Å; M48-F206 HydrophobicContact CG-CD1 3.67Å; M48-F206 HydrophobicContact CG-CE1 3.42Å; M48-F206 VanDerWaalsContact CG-CE1 3.42Å; M48-F206 HydrophobicContact SD-CD1 3.8Å; M48-F206 HydrophobicContact SD-CE1 3.95Å; W204-F206 PolarHBondContact O-N 3.08Å
207E79.7Confident88.1Confident40 Ų4048.2 Ų48.219%0.18722%0.224CC..SBendtrans-136.2146.3177-63.1-162.1-161.500111.1W204 E209 R212 K240W204-E207 HydrophobicContact CE3-CB 4.22Å; W204-E207 PolarHBondContact O-N 3.12Å; W204-E207 VanDerWaalsContact O-O 3.11Å; E207-E209 PolarHBondContact O-N 2.84Å; E207-E209 VanDerWaalsContact O-N 3.1Å; E207-R212 IonicContact OE2-CZ 2.79Å; E207-R212 IonicContact OE2-NE 2.76Å; E207-R212 PolarHBondContact OE2-NE 3.33Å; E207-R212 IonicContact OE2-NH2 2.64Å; E207-K240 VanDerWaalsContact CD-CE 3.49Å; E207-K240 VanDerWaalsContact OE1-CD 3.3Å; E207-K240 WeakPolarHBondContact OE1-CD 3.49Å; E207-K240 WeakPolarHBondContact OE1-CE 3.38Å; E207-K240 IonicContact OE1-NZ 3.88Å; E207-K240 PolarHBondContact OE1-NZ 3.47Å; E207-K240 WeakPolarHBondContact OE2-CD 3.46Å
208N78.3Confident88.6Confident55 Ų5541.8 Ų41.829%0.29419%0.193SC..  trans-74.996.6168.9-172.1-3000109.4E210 E211 R212N208-E210 PolarHBondContact O-N 3.17Å; N208-E210 PolarHBondContact OD1-N 3.11Å; N208-E211 HydrophobicContact CB-CB 4.27Å; N208-E211 HydrophobicContact CB-CG 4.22Å; N208-E211 VanDerWaalsContact ND2-CD 3.28Å; N208-E211 WeakPolarHBondContact ND2-CG 3.5Å; N208-E211 PolarHBondContact ND2-OE1 2.91Å; N208-E211 WeakPolarHBondContact O-CB 3.48Å; N208-E211 PolarHBondContact O-N 3.39Å; N208-R212 WeakPolarHBondContact O-CG 3.46Å
209E79Confident89.1Confident75 Ų7542.6 Ų42.635%0.3520%0.198SC..G310 helixtrans-55.1-34.8-179.1-68.1178.3-114.600112.6V173 W204 E207 E211 R212V173-E209 HydrophobicContact CG2-CB 3.98Å; V173-E209 HydrophobicContact CG2-CG 4.15Å; W204-E209 VanDerWaalsContact CB-CD 3.44Å; W204-E209 HydrophobicContact CB-CG 3.62Å; W204-E209 HydrophobicContact CD2-CG 4.15Å; W204-E209 HydrophobicContact CE3-CG 4.24Å; W204-E209 HydrophobicContact CG-CG 3.92Å; E207-E209 PolarHBondContact O-N 2.84Å; E207-E209 VanDerWaalsContact O-N 3.1Å; E209-E211 PolarHBondContact O-N 3.24Å; E209-R212 WeakPolarHBondContact O-CB 3.33Å; E209-R212 PolarHBondContact O-N 3.31Å; E209-R212 VanDerWaalsContact O-O 3.13Å
210E77.1Confident89.3Confident177 Ų17745.1 Ų45.183%0.82722%0.22SC*.G310 helixtrans-66-20.1178.3-58.8-174.2172.600113N208N208-E210 PolarHBondContact O-N 3.17Å; N208-E210 PolarHBondContact OD1-N 3.11Å
211E86.1Confident89.5Confident118 Ų11851.5 Ų51.555%0.55126%0.255SS*.G310 helixtrans-95.46.5174.5-69176.2-164.200112.7N208 E209 W231N208-E211 HydrophobicContact CB-CB 4.27Å; N208-E211 HydrophobicContact CB-CG 4.22Å; N208-E211 VanDerWaalsContact ND2-CD 3.28Å; N208-E211 WeakPolarHBondContact ND2-CG 3.5Å; N208-E211 PolarHBondContact ND2-OE1 2.91Å; N208-E211 WeakPolarHBondContact O-CB 3.48Å; N208-E211 PolarHBondContact O-N 3.39Å; E209-E211 PolarHBondContact O-N 3.24Å; E211-W231 VanDerWaalsContact O-CB 3.28Å; E211-W231 WeakPolarHBondContact O-CB 3.35Å
212R92.8Very high90Very high20 Ų2055.5 Ų55.58%0.07527%0.271CS..  trans-116.8142.7-179.4-58.3-65.1-179.3-84.6-6.5109.3V173 W204 E207 N208 E209V173-R212 HydrophobicContact CG1-CB 3.78Å; W204-R212 HydrophobicContact CH2-CB 4.21Å; W204-R212 HydrophobicContact CH2-CG 4.47Å; W204-R212 HydrophobicContact CZ3-CB 4.02Å; W204-R212 HydrophobicContact CZ3-CG 3.82Å; E207-R212 IonicContact OE2-CZ 2.79Å; E207-R212 IonicContact OE2-NE 2.76Å; E207-R212 PolarHBondContact OE2-NE 3.33Å; E207-R212 IonicContact OE2-NH2 2.64Å; N208-R212 WeakPolarHBondContact O-CG 3.46Å; E209-R212 WeakPolarHBondContact O-CB 3.33Å; E209-R212 PolarHBondContact O-N 3.31Å; E209-R212 VanDerWaalsContact O-O 3.13Å
213I96.5Very high90.6Very high58 Ų5857.6 Ų57.630%0.29728%0.28SS..EExtended strand (participates in β ladder)trans-124.7137.5-179.3-57174.1000108.4R170 F229 Y230R170-I213 HydrophobicContact CB-CG2 3.98Å; R170-I213 HydrophobicContact CG-CG2 4.15Å; I213-F229 WeakPolarHBondContact O-CA 3.48Å; I213-Y230 HydrophobicContact CB-CD1 4.19Å; I213-Y230 HydrophobicContact CB-CE1 3.67Å; I213-Y230 HydrophobicContact CG2-CD1 4.49Å; I213-Y230 HydrophobicContact CG2-CE1 3.61Å; I213-Y230 PolarHBondContact N-O 2.94Å; I213-Y230 WeakPolarHBondContact O-CD1 3.25Å; I213-Y230 PolarHBondContact O-N 2.72Å
214A98Very high91Very high0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-94.2116.3166.900000109.9R170 K171 V178 I216 V227 L228 F229R170-A214 CarbonylContact C-O 3.5Å; R170-A214 WeakPolarHBondContact CA-O 3.49Å; K171-A214 PolarHBondContact N-O 3.26Å; K171-A214 PolarHBondContact O-N 3.05Å; V178-A214 HydrophobicContact CG2-CB 3.78Å; A214-I216 HydrophobicContact CB-CG1 4.45Å; A214-V227 HydrophobicContact CB-CG1 4.33Å; A214-L228 WeakPolarHBondContact CA-O 3.4Å; A214-F229 HydrophobicContact CB-CD1 3.99Å; A214-F229 HydrophobicContact CB-CE1 3.97Å
215A98.5Very high91.4Very high0 Ų056.1 Ų56.10%028%0.275CS..EExtended strand (participates in β ladder)trans-92114.4165.100000108.9V168 E169 V227 L228 Y230 L253 F256V168-A215 HydrophobicContact CG1-CB 3.79Å; E169-A215 WeakPolarHBondContact O-CA 3.34Å; A215-V227 CarbonylContact O-C 3.54Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; A215-L228 HydrophobicContact CB-CB 4.16Å; A215-L228 HydrophobicContact CB-CD2 4.36Å; A215-L228 PolarHBondContact N-O 3.04Å; A215-L228 PolarHBondContact O-N 2.92Å; A215-Y230 HydrophobicContact CB-CD1 4.22Å; A215-Y230 HydrophobicContact CB-CE1 3.86Å; A215-L253 WeakPolarHBondContact O-CD2 3.2Å; A215-F256 HydrophobicContact CB-CD1 3.88Å; A215-F256 HydrophobicContact CB-CE1 3.5Å; A215-F256 HydrophobicContact CB-CZ 3.88Å
216I98.7Very high92.2Very high0 Ų054.9 Ų54.90%027%0.271CS..EExtended strand (participates in β ladder)trans-105.3126.3-176.8-49.5-177000109.1V168 E169 K171 D175 D177 V178 A214 Y218 P224 G226 V227V168-I216 CarbonylContact C-O 3.42Å; V168-I216 VanDerWaalsContact CA-O 3.29Å; V168-I216 WeakPolarHBondContact CA-O 3.22Å; E169-I216 PolarHBondContact N-O 3.32Å; E169-I216 PolarHBondContact O-N 3.31Å; K171-I216 HydrophobicContact CB-CD1 4.12Å; K171-I216 HydrophobicContact CG-CD1 3.78Å; K171-I216 HydrophobicContact CG-CG1 4.32Å; D175-I216 HydrophobicContact CB-CD1 4.44Å; D177-I216 HydrophobicContact CB-CD1 3.85Å; V178-I216 HydrophobicContact CG2-CD1 3.72Å; V178-I216 HydrophobicContact CG2-CG1 4.24Å; A214-I216 HydrophobicContact CB-CG1 4.45Å; I216-Y218 HydrophobicContact CB-CE2 3.87Å; I216-Y218 HydrophobicContact CG2-CD2 4.33Å; I216-Y218 HydrophobicContact CG2-CE2 3.77Å; I216-P224 HydrophobicContact CG2-CB 3.83Å; I216-G226 CarbonylContact C-O 3.57Å; I216-G226 WeakPolarHBondContact CA-O 3.28Å; I216-V227 HydrophobicContact CG1-CG2 4.41Å
217Y98.7Very high93.3Very high4 Ų451.5 Ų51.52%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-88.8126.2172.9-175.1-93.9000110.6G166 I167 V168 P224 T225 G226 E248 A249G166-Y217 VanDerWaalsContact CA-OH 3.29Å; G166-Y217 WeakPolarHBondContact CA-OH 3.45Å; G166-Y217 PolarHBondContact N-OH 2.82Å; I167-Y217 WeakPolarHBondContact O-CA 3.22Å; V168-Y217 HydrophobicContact CG2-CD2 3.73Å; Y217-P224 WeakPolarHBondContact O-CA 3.3Å; Y217-T225 WeakPolarHBondContact CD1-OG1 3.48Å; Y217-T225 PolarHBondContact O-N 3.4Å; Y217-G226 PolarHBondContact N-O 3.29Å; Y217-E248 HydrophobicContact CE1-CG 3.86Å; Y217-E248 WeakPolarHBondContact OH-CG 3.48Å; Y217-E248 PolarHBondContact OH-OE1 3.37Å; Y217-E248 VanDerWaalsContact OH-OE1 3.14Å; Y217-A249 VanDerWaalsContact CD1-CA 3.46Å; Y217-A249 HydrophobicContact CD1-CB 3.69Å; Y217-A249 HydrophobicContact CE1-CB 4.33Å; Y217-A249 HydrophobicContact CG-CB 4.25Å
218Y98.6Very high94.2Very high20 Ų2049.6 Ų49.68%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-109.5131.9173.3-63.4-93.6000109.7G166 I167 E169 D177 I216 K223 P224G166-Y218 CarbonylContact C-O 3.56Å; G166-Y218 WeakPolarHBondContact CA-O 3.36Å; I167-Y218 PolarHBondContact N-O 2.66Å; I167-Y218 PolarHBondContact O-N 3.45Å; E169-Y218 HydrophobicContact CB-CD2 4.48Å; E169-Y218 HydrophobicContact CB-CE2 3.96Å; E169-Y218 HydrophobicContact CG-CD2 4.18Å; E169-Y218 HydrophobicContact CG-CE2 3.98Å; D177-Y218 WeakPolarHBondContact OD2-CE1 3.46Å; D177-Y218 VanDerWaalsContact OD2-CZ 3.24Å; D177-Y218 PolarHBondContact OD2-OH 3.49Å; I216-Y218 HydrophobicContact CB-CE2 3.87Å; I216-Y218 HydrophobicContact CG2-CD2 4.33Å; I216-Y218 HydrophobicContact CG2-CE2 3.77Å; Y218-K223 VanDerWaalsContact CA-O 3.32Å; Y218-K223 WeakPolarHBondContact CA-O 3.19Å; Y218-P224 HydrophobicContact CD1-CB 3.99Å; Y218-P224 HydrophobicContact CE1-CB 3.75Å; Y218-P224 HydrophobicContact CE1-CG 4.3Å
219D97.4Very high95.2Very high32 Ų3247 Ų4717%0.17123%0.233CC..  trans-73.6-175.3177.167.218000112.9D221 K222 K223 T225D219-D221 PolarHBondContact O-N 3.16Å; D219-D221 WeakPolarHBondContact OD1-CA 3.1Å; D219-D221 PolarHBondContact OD1-N 3.19Å; D219-K222 PolarHBondContact O-N 3.48Å; D219-K222 PolarHBondContact OD1-N 3.16Å; D219-K222 VanDerWaalsContact OD1-N 3.13Å; D219-K223 PolarHBondContact N-O 3.25Å; D219-K223 PolarHBondContact OD1-N 2.86Å; D219-T225 HydrophobicContact CB-CG2 4.49Å
220A97Very high96Very high66 Ų6643.6 Ų43.655%0.54522%0.217SC..THydrogen-bonded Turntrans-58.2-28.1179.300000114P165 K222P165-A220 HydrophobicContact CB-CB 4.01Å; P165-A220 HydrophobicContact CG-CB 4.25Å; A220-K222 VanDerWaalsContact C-N 3.31Å
221D96.8Very high96.9Very high146 Ų14638.1 Ų38.178%0.78119%0.189SC*.THydrogen-bonded Turntrans-92.26.4179.8-67.1-45000112.3D219 K223D219-D221 PolarHBondContact O-N 3.16Å; D219-D221 WeakPolarHBondContact OD1-CA 3.1Å; D219-D221 PolarHBondContact OD1-N 3.19Å; D221-K223 VanDerWaalsContact C-N 3.29Å; D221-K223 PolarHBondContact O-N 3.11Å
222K95.7Very high97.3Very high177 Ų17735.9 Ų35.977%0.7718%0.18SC*.  trans63.827.4-175.8-51.4-176.8176.8-172.90113.9D219 A220D219-K222 PolarHBondContact O-N 3.48Å; D219-K222 PolarHBondContact OD1-N 3.16Å; D219-K222 VanDerWaalsContact OD1-N 3.13Å; A220-K222 VanDerWaalsContact C-N 3.31Å
223K97.4Very high97.3Very high82 Ų8237.2 Ų37.236%0.35719%0.192SC..  trans-85.9131.5170.8-172.4-173.9172.7-172.80109.5E184 Y218 D219 D221 T225E184-K223 WeakPolarHBondContact OE1-CE 3.4Å; E184-K223 IonicContact OE1-NZ 3.42Å; E184-K223 PolarHBondContact OE1-NZ 3.31Å; E184-K223 IonicContact OE2-NZ 3.62Å; E184-K223 PolarHBondContact OE2-NZ 2.94Å; Y218-K223 VanDerWaalsContact CA-O 3.32Å; Y218-K223 WeakPolarHBondContact CA-O 3.19Å; D219-K223 PolarHBondContact N-O 3.25Å; D219-K223 PolarHBondContact OD1-N 2.86Å; D221-K223 VanDerWaalsContact C-N 3.29Å; D221-K223 PolarHBondContact O-N 3.11Å; K223-T225 HydrophobicContact CG-CG2 4.44Å; K223-T225 PolarHBondContact O-N 3.17Å
224P98.4Very high97.1Very high7 Ų741.5 Ų41.55%0.04522%0.216CC..EExtended strand (participates in β ladder)trans-69.4129.9173.831.6-36.2000109.6D177 V181 I216 Y217 Y218D177-P224 HydrophobicContact CB-CB 3.99Å; D177-P224 HydrophobicContact CB-CG 4.03Å; V181-P224 HydrophobicContact CG2-CB 3.62Å; V181-P224 HydrophobicContact CG2-CG 4.11Å; I216-P224 HydrophobicContact CG2-CB 3.83Å; Y217-P224 WeakPolarHBondContact O-CA 3.3Å; Y218-P224 HydrophobicContact CD1-CB 3.99Å; Y218-P224 HydrophobicContact CE1-CB 3.75Å; Y218-P224 HydrophobicContact CE1-CG 4.3Å
225T98.3Very high97Very high4 Ų446.7 Ų46.73%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-136.3-2.4-17352.40000114.6Y217 D219 K223 L245 A249Y217-T225 WeakPolarHBondContact CD1-OG1 3.48Å; Y217-T225 PolarHBondContact O-N 3.4Å; D219-T225 HydrophobicContact CB-CG2 4.49Å; K223-T225 HydrophobicContact CG-CG2 4.44Å; K223-T225 PolarHBondContact O-N 3.17Å; T225-L245 PolarHBondContact O-N 3.41Å; T225-A249 WeakPolarHBondContact O-CB 3.34Å
226G98.5Very high96.9Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-162.1152.5171.400000112.6I216 Y217 F243I216-G226 CarbonylContact C-O 3.57Å; I216-G226 WeakPolarHBondContact CA-O 3.28Å; Y217-G226 PolarHBondContact N-O 3.29Å; G226-F243 CarbonylContact C-O 3.45Å; G226-F243 WeakPolarHBondContact CA-O 3.37Å
227V98.6Very high96.8Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-133.4138.2-179.9178.90000109.5V178 V181 A214 A215 I216 F229 M242 F243V178-V227 HydrophobicContact CG1-CG1 4.3Å; V178-V227 HydrophobicContact CG2-CG1 4.23Å; V178-V227 HydrophobicContact CG2-CG2 4.41Å; V181-V227 HydrophobicContact CB-CG2 3.87Å; V181-V227 HydrophobicContact CG1-CG2 3.95Å; V181-V227 HydrophobicContact CG2-CG2 4.24Å; A214-V227 HydrophobicContact CB-CG1 4.33Å; A215-V227 CarbonylContact O-C 3.54Å; A215-V227 WeakPolarHBondContact O-CA 3.43Å; I216-V227 HydrophobicContact CG1-CG2 4.41Å; V227-F229 HydrophobicContact CG1-CD1 3.89Å; V227-F229 HydrophobicContact CG1-CE1 3.56Å; V227-F229 HydrophobicContact CG1-CZ 4.05Å; V227-M242 WeakPolarHBondContact O-CA 3.36Å; V227-F243 HydrophobicContact CB-CD2 4.13Å; V227-F243 HydrophobicContact CB-CE1 4.06Å; V227-F243 HydrophobicContact CB-CE2 3.53Å; V227-F243 HydrophobicContact CB-CZ 3.49Å; V227-F243 VanDerWaalsContact CB-CZ 3.49Å; V227-F243 HydrophobicContact CG1-CE1 4.15Å; V227-F243 HydrophobicContact CG1-CE2 4.29Å; V227-F243 HydrophobicContact CG1-CZ 3.74Å; V227-F243 HydrophobicContact CG2-CD2 4.46Å; V227-F243 HydrophobicContact CG2-CE2 3.63Å; V227-F243 HydrophobicContact CG2-CZ 3.89Å; V227-F243 PolarHBondContact N-O 3.46Å; V227-F243 PolarHBondContact O-N 2.96Å
228L98.4Very high96.7Very high0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-122.7117.5171.6167.167.8000108.9A214 A215 Y230 F237 I239 M242 L253 F256 I257A214-L228 WeakPolarHBondContact CA-O 3.4Å; A215-L228 HydrophobicContact CB-CB 4.16Å; A215-L228 HydrophobicContact CB-CD2 4.36Å; A215-L228 PolarHBondContact N-O 3.04Å; A215-L228 PolarHBondContact O-N 2.92Å; L228-Y230 HydrophobicContact CD2-CD1 4.3Å; L228-Y230 HydrophobicContact CG-CD1 4.21Å; L228-F237 HydrophobicContact CD2-CE1 4.09Å; L228-F237 HydrophobicContact CD2-CZ 3.99Å; L228-I239 HydrophobicContact CD1-CB 4.25Å; L228-I239 HydrophobicContact CD1-CD1 4.23Å; L228-I239 HydrophobicContact CD1-CG1 3.97Å; L228-I239 HydrophobicContact CD1-CG2 3.57Å; L228-M242 HydrophobicContact CB-CG 4.41Å; L228-M242 HydrophobicContact CD1-CB 3.99Å; L228-M242 HydrophobicContact CD1-CG 4.32Å; L228-M242 HydrophobicContact CD1-SD 4.5Å; L228-L253 HydrophobicContact CB-CD1 4.3Å; L228-L253 HydrophobicContact CB-CD2 3.94Å; L228-F256 HydrophobicContact CD2-CD1 3.96Å; L228-F256 HydrophobicContact CD2-CE1 4.29Å; L228-I257 HydrophobicContact CD1-CD1 4.33Å; L228-I257 HydrophobicContact CD2-CD1 3.83Å; L228-I257 HydrophobicContact CD2-CG1 3.56Å
229F98Very high96.7Very high0 Ų048.9 Ų48.90%025%0.253CS..EExtended strand (participates in β ladder)trans-90.7119.8169.7-63.8-38.5000109.9V173 V178 W200 Y203 W204 I213 A214 V227 K240 E241 F243V173-F229 HydrophobicContact CB-CE1 4.42Å; V173-F229 HydrophobicContact CG1-CD1 4.24Å; V173-F229 HydrophobicContact CG1-CE1 4.46Å; V178-F229 HydrophobicContact CG1-CE1 3.69Å; V178-F229 HydrophobicContact CG1-CZ 3.48Å; V178-F229 VanDerWaalsContact CG1-CZ 3.48Å; V178-F229 HydrophobicContact CG2-CE1 4.4Å; W200-F229 HydrophobicContact CH2-CZ 4.36Å; W200-F229 HydrophobicContact CZ3-CE2 4.16Å; W200-F229 HydrophobicContact CZ3-CZ 4.09Å; Y203-F229 HydrophobicContact CE1-CD2 4.09Å; Y203-F229 AromaticContact CE1-CE2 3.82Å; Y203-F229 HydrophobicContact CE1-CE2 3.82Å; W204-F229 HydrophobicContact CH2-CB 4.01Å; W204-F229 HydrophobicContact CH2-CD1 4.02Å; W204-F229 AromaticContact CH2-CD2 3.92Å; W204-F229 HydrophobicContact CH2-CD2 3.92Å; W204-F229 HydrophobicContact CH2-CE1 4.47Å; W204-F229 HydrophobicContact CH2-CE2 4.35Å; W204-F229 AromaticContact CH2-CG 3.73Å; W204-F229 HydrophobicContact CH2-CG 3.73Å; W204-F229 AromaticContact CZ2-CD1 3.78Å; W204-F229 HydrophobicContact CZ2-CD1 3.78Å; W204-F229 AromaticContact CZ2-CD2 3.75Å; W204-F229 HydrophobicContact CZ2-CD2 3.75Å; W204-F229 AromaticContact CZ2-CE1 3.77Å; W204-F229 HydrophobicContact CZ2-CE1 3.77Å; W204-F229 AromaticContact CZ2-CE2 3.7Å; W204-F229 HydrophobicContact CZ2-CE2 3.7Å; W204-F229 AromaticContact CZ2-CG 3.78Å; W204-F229 HydrophobicContact CZ2-CG 3.78Å; W204-F229 AromaticContact CZ2-CZ 3.72Å; W204-F229 HydrophobicContact CZ2-CZ 3.72Å; I213-F229 WeakPolarHBondContact O-CA 3.48Å; A214-F229 HydrophobicContact CB-CD1 3.99Å; A214-F229 HydrophobicContact CB-CE1 3.97Å; V227-F229 HydrophobicContact CG1-CD1 3.89Å; V227-F229 HydrophobicContact CG1-CE1 3.56Å; V227-F229 HydrophobicContact CG1-CZ 4.05Å; F229-K240 HydrophobicContact CB-CB 3.99Å; F229-K240 PolarHBondContact O-N 2.98Å; F229-E241 HydrophobicContact CD2-CB 4.45Å; F229-E241 PolarHBondContact N-O 3.29Å; F229-F243 HydrophobicContact CD2-CE1 4.2Å; F229-F243 AromaticContact CE2-CE1 3.61Å; F229-F243 HydrophobicContact CE2-CE1 3.61Å; F229-F243 HydrophobicContact CE2-CZ 4.16Å; F229-F243 AromaticContact CZ-CE1 3.95Å; F229-F243 HydrophobicContact CZ-CE1 3.95Å; F229-F243 HydrophobicContact CZ-CZ 4.04Å
230Y97.3Very high96.5Very high5 Ų548.6 Ų48.62%0.0225%0.25CC..EExtended strand (participates in β ladder)trans-147.2164.6-174.180.8-77.8000113.9R170 I213 A215 L228 I232 F237 H238 F256R170-Y230 VanDerWaalsContact CD-OH 3.25Å; R170-Y230 WeakPolarHBondContact CD-OH 3.21Å; I213-Y230 HydrophobicContact CB-CD1 4.19Å; I213-Y230 HydrophobicContact CB-CE1 3.67Å; I213-Y230 HydrophobicContact CG2-CD1 4.49Å; I213-Y230 HydrophobicContact CG2-CE1 3.61Å; I213-Y230 PolarHBondContact N-O 2.94Å; I213-Y230 WeakPolarHBondContact O-CD1 3.25Å; I213-Y230 PolarHBondContact O-N 2.72Å; A215-Y230 HydrophobicContact CB-CD1 4.22Å; A215-Y230 HydrophobicContact CB-CE1 3.86Å; L228-Y230 HydrophobicContact CD2-CD1 4.3Å; L228-Y230 HydrophobicContact CG-CD1 4.21Å; Y230-I232 HydrophobicContact CD2-CG1 4.44Å; Y230-I232 HydrophobicContact CE2-CD1 4.49Å; Y230-I232 HydrophobicContact CE2-CG1 4.45Å; Y230-F237 VanDerWaalsContact CB-CE1 3.46Å; Y230-F237 HydrophobicContact CD1-CZ 4.24Å; Y230-F237 HydrophobicContact CD2-CD2 4.31Å; Y230-F237 AromaticContact CD2-CE1 3.73Å; Y230-F237 HydrophobicContact CD2-CE1 3.73Å; Y230-F237 AromaticContact CD2-CE2 3.49Å; Y230-F237 HydrophobicContact CD2-CE2 3.49Å; Y230-F237 VanDerWaalsContact CD2-CE2 3.49Å; Y230-F237 AromaticContact CD2-CZ 3.15Å; Y230-F237 HydrophobicContact CD2-CZ 3.15Å; Y230-F237 AromaticContact CE2-CE2 3.77Å; Y230-F237 HydrophobicContact CE2-CE2 3.77Å; Y230-F237 AromaticContact CE2-CZ 3.77Å; Y230-F237 HydrophobicContact CE2-CZ 3.77Å; Y230-F237 AromaticContact CG-CE1 3.77Å; Y230-F237 HydrophobicContact CG-CE1 3.77Å; Y230-F237 HydrophobicContact CG-CE2 4.24Å; Y230-F237 AromaticContact CG-CZ 3.44Å; Y230-F237 HydrophobicContact CG-CZ 3.44Å; Y230-F237 VanDerWaalsContact CG-CZ 3.44Å; Y230-H238 WeakPolarHBondContact CA-O 3.3Å; Y230-H238 WeakPolarHBondContact CB-O 3.47Å; Y230-F256 HydrophobicContact CD1-CE1 4.31Å; Y230-F256 AromaticContact CE1-CE1 3.69Å; Y230-F256 HydrophobicContact CE1-CE1 3.69Å; Y230-F256 AromaticContact CE1-CZ 4Å; Y230-F256 HydrophobicContact CE1-CZ 4Å; Y230-F256 HydrophobicContact CE2-CE1 4.38Å; Y230-F256 AromaticContact CZ-CE1 3.73Å; Y230-F256 AromaticContact CZ-CZ 3.81Å; Y230-F256 WeakPolarHBondContact OH-CZ 3.32Å
231W95.7Very high96.4Very high62 Ų6246.3 Ų46.324%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-148.9165.8164.473.4102000109.6E211 H238 K240E211-W231 VanDerWaalsContact O-CB 3.28Å; E211-W231 WeakPolarHBondContact O-CB 3.35Å; W231-H238 HydrophobicContact CD2-CB 3.38Å; W231-H238 AromaticContact CE2-CD2 3.88Å; W231-H238 AromaticContact CE2-CG 3.43Å; W231-H238 VanDerWaalsContact CE2-CG 3.43Å; W231-H238 AromaticContact CE2-ND1 3.92Å; W231-H238 HydrophobicContact CE3-CB 3.56Å; W231-H238 HydrophobicContact CG-CB 4.09Å; W231-H238 HydrophobicContact CH2-CB 3.55Å; W231-H238 HydrophobicContact CZ2-CB 3.35Å; W231-H238 AromaticContact CZ2-CG 3.42Å; W231-H238 VanDerWaalsContact CZ2-CG 3.42Å; W231-H238 AromaticContact CZ2-ND1 3.43Å; W231-H238 WeakPolarHBondContact CZ2-ND1 3.36Å; W231-H238 HydrophobicContact CZ3-CB 3.63Å; W231-H238 PolarHBondContact N-O 2.87Å; W231-H238 VanDerWaalsContact N-O 3.11Å; W231-H238 AromaticContact NE1-CD2 3.62Å; W231-H238 AromaticContact NE1-CG 3.67Å; W231-H238 PolarHBondContact O-N 3.04Å; W231-K240 HydrophobicContact CZ3-CB 4.12Å
232I94.7Very high96.4Very high70 Ų7041.2 Ų41.236%0.35920%0.2SC..EExtended strand (participates in β ladder)trans-122.5124.6176-60.5174.6000108.1Y230 V236 F237 H260 V264Y230-I232 HydrophobicContact CD2-CG1 4.44Å; Y230-I232 HydrophobicContact CE2-CD1 4.49Å; Y230-I232 HydrophobicContact CE2-CG1 4.45Å; I232-V236 WeakPolarHBondContact CA-O 3.39Å; I232-F237 HydrophobicContact CD1-CD2 3.89Å; I232-F237 HydrophobicContact CD1-CE2 4.22Å; I232-F237 HydrophobicContact CG1-CD2 3.87Å; I232-F237 HydrophobicContact CG1-CE2 4.36Å; I232-F237 HydrophobicContact CG1-CG 4.43Å; I232-H260 VanDerWaalsContact CD1-CD2 3.44Å; I232-H260 WeakPolarHBondContact CD1-CD2 3.35Å; I232-V264 HydrophobicContact CG2-CG1 3.95Å
233S92.7Very high96.5Very high49 Ų4932.9 Ų32.934%0.34316%0.164SC..EExtended strand (participates in β ladder)trans-144.8144.5174.9-1690000109.3E235 V236S233-E235 VanDerWaalsContact C-N 3.27Å; S233-E235 PolarHBondContact O-N 3.23Å; S233-E235 VanDerWaalsContact O-N 3.15Å; S233-V236 PolarHBondContact N-O 2.65Å; S233-V236 VanDerWaalsContact N-O 3.16Å; S233-V236 WeakPolarHBondContact O-CA 3.36Å; S233-V236 WeakPolarHBondContact O-CB 3.38Å; S233-V236 PolarHBondContact O-N 3.12Å
234D92.4Very high96.5Very high147 Ų14731.1 Ų31.179%0.78616%0.155SC*.THydrogen-bonded Turntrans48.343176.1-58.5-39.9000114.6V236D234-V236 PolarHBondContact O-N 3.32Å
235E94.9Very high96.5Very high110 Ų11033.4 Ų33.451%0.51417%0.167SC..THydrogen-bonded Turntrans59.426.8-177.8-53.6172.7128.800113.4S233 V264 Y265S233-E235 VanDerWaalsContact C-N 3.27Å; S233-E235 PolarHBondContact O-N 3.23Å; S233-E235 VanDerWaalsContact O-N 3.15Å; E235-V264 CarbonylContact O-C 3.58Å; E235-V264 VanDerWaalsContact O-CA 3.23Å; E235-V264 WeakPolarHBondContact O-CA 3.38Å; E235-V264 WeakPolarHBondContact O-CB 3.38Å; E235-Y265 HydrophobicContact CB-CD2 3.86Å; E235-Y265 HydrophobicContact CB-CE2 4.41Å; E235-Y265 VanDerWaalsContact CD-CE2 3.46Å; E235-Y265 HydrophobicContact CG-CD2 4.43Å; E235-Y265 PolarHBondContact O-N 3.3Å; E235-Y265 WeakPolarHBondContact OE2-CD2 3.19Å; E235-Y265 WeakPolarHBondContact OE2-CE2 3.5Å
236V96.6Very high96.4Very high25 Ų2536 Ų3615%0.15218%0.181CC..EExtended strand (participates in β ladder)trans-119.5129.8174.4-1760000109.8I232 S233 D234 H238 W266 K268I232-V236 WeakPolarHBondContact CA-O 3.39Å; S233-V236 PolarHBondContact N-O 2.65Å; S233-V236 VanDerWaalsContact N-O 3.16Å; S233-V236 WeakPolarHBondContact O-CA 3.36Å; S233-V236 WeakPolarHBondContact O-CB 3.38Å; S233-V236 PolarHBondContact O-N 3.12Å; D234-V236 PolarHBondContact O-N 3.32Å; V236-H238 PolarHBondContact O-CD2 2.95Å; V236-W266 CarbonylContact C-O 3.49Å; V236-W266 WeakPolarHBondContact CA-O 3.48Å; V236-W266 HydrophobicContact CG1-CB 4.24Å; V236-W266 HydrophobicContact CG2-CB 4.26Å; V236-K268 HydrophobicContact CG1-CB 4.05Å
237F97.4Very high96.2Very high0 Ų040.6 Ų40.60%020%0.202CC..EExtended strand (participates in β ladder)trans-84.1113.4167.6-164.2-74.2000108.6L228 Y230 I232 I239 F256 I257 H260 V264 W266 V267 K268L228-F237 HydrophobicContact CD2-CE1 4.09Å; L228-F237 HydrophobicContact CD2-CZ 3.99Å; Y230-F237 VanDerWaalsContact CB-CE1 3.46Å; Y230-F237 HydrophobicContact CD1-CZ 4.24Å; Y230-F237 HydrophobicContact CD2-CD2 4.31Å; Y230-F237 AromaticContact CD2-CE1 3.73Å; Y230-F237 HydrophobicContact CD2-CE1 3.73Å; Y230-F237 AromaticContact CD2-CE2 3.49Å; Y230-F237 HydrophobicContact CD2-CE2 3.49Å; Y230-F237 VanDerWaalsContact CD2-CE2 3.49Å; Y230-F237 AromaticContact CD2-CZ 3.15Å; Y230-F237 HydrophobicContact CD2-CZ 3.15Å; Y230-F237 AromaticContact CE2-CE2 3.77Å; Y230-F237 HydrophobicContact CE2-CE2 3.77Å; Y230-F237 AromaticContact CE2-CZ 3.77Å; Y230-F237 HydrophobicContact CE2-CZ 3.77Å; Y230-F237 AromaticContact CG-CE1 3.77Å; Y230-F237 HydrophobicContact CG-CE1 3.77Å; Y230-F237 HydrophobicContact CG-CE2 4.24Å; Y230-F237 AromaticContact CG-CZ 3.44Å; Y230-F237 HydrophobicContact CG-CZ 3.44Å; Y230-F237 VanDerWaalsContact CG-CZ 3.44Å; I232-F237 HydrophobicContact CD1-CD2 3.89Å; I232-F237 HydrophobicContact CD1-CE2 4.22Å; I232-F237 HydrophobicContact CG1-CD2 3.87Å; I232-F237 HydrophobicContact CG1-CE2 4.36Å; I232-F237 HydrophobicContact CG1-CG 4.43Å; F237-I239 HydrophobicContact CD1-CD1 4.4Å; F237-I239 HydrophobicContact CD1-CG1 3.78Å; F237-I239 HydrophobicContact CE1-CD1 4.4Å; F237-I239 HydrophobicContact CE1-CG1 3.8Å; F237-F256 HydrophobicContact CZ-CE1 4.37Å; F237-I257 HydrophobicContact CD1-CG2 4.39Å; F237-I257 HydrophobicContact CE1-CG1 3.91Å; F237-I257 HydrophobicContact CE1-CG2 4.46Å; F237-I257 HydrophobicContact CZ-CG1 3.98Å; F237-H260 HydrophobicContact CD2-CB 3.94Å; F237-H260 AromaticContact CD2-CG 3.85Å; F237-H260 HydrophobicContact CE2-CB 4.21Å; F237-H260 AromaticContact CE2-CD2 3.81Å; F237-H260 AromaticContact CE2-CE1 3.86Å; F237-H260 AromaticContact CE2-CG 3.64Å; F237-H260 AromaticContact CE2-ND1 3.66Å; F237-H260 AromaticContact CE2-NE2 3.97Å; F237-V264 HydrophobicContact CB-CB 4.49Å; F237-V264 HydrophobicContact CB-CG1 4.09Å; F237-V264 HydrophobicContact CB-CG2 4.25Å; F237-W266 PolarHBondContact N-O 3.37Å; F237-V267 HydrophobicContact CB-CB 4.34Å; F237-V267 HydrophobicContact CB-CG1 4.23Å; F237-V267 HydrophobicContact CB-CG2 3.88Å; F237-V267 HydrophobicContact CD1-CG1 4.14Å; F237-V267 CarbonylContact O-C 3.6Å; F237-V267 VanDerWaalsContact O-CA 3.31Å; F237-V267 WeakPolarHBondContact O-CA 3.31Å; F237-K268 PolarHBondContact O-N 3.38Å
238H96.8Very high96.1Very high38 Ų3843.5 Ų43.518%0.17622%0.216CC..EExtended strand (participates in β ladder)trans-98.5126.1-179.8-72.8-98.7000110.7Y230 W231 V236 K268Y230-H238 WeakPolarHBondContact CA-O 3.3Å; Y230-H238 WeakPolarHBondContact CB-O 3.47Å; W231-H238 HydrophobicContact CD2-CB 3.38Å; W231-H238 AromaticContact CE2-CD2 3.88Å; W231-H238 AromaticContact CE2-CG 3.43Å; W231-H238 VanDerWaalsContact CE2-CG 3.43Å; W231-H238 AromaticContact CE2-ND1 3.92Å; W231-H238 HydrophobicContact CE3-CB 3.56Å; W231-H238 HydrophobicContact CG-CB 4.09Å; W231-H238 HydrophobicContact CH2-CB 3.55Å; W231-H238 HydrophobicContact CZ2-CB 3.35Å; W231-H238 AromaticContact CZ2-CG 3.42Å; W231-H238 VanDerWaalsContact CZ2-CG 3.42Å; W231-H238 AromaticContact CZ2-ND1 3.43Å; W231-H238 WeakPolarHBondContact CZ2-ND1 3.36Å; W231-H238 HydrophobicContact CZ3-CB 3.63Å; W231-H238 PolarHBondContact N-O 2.87Å; W231-H238 VanDerWaalsContact N-O 3.11Å; W231-H238 AromaticContact NE1-CD2 3.62Å; W231-H238 AromaticContact NE1-CG 3.67Å; W231-H238 PolarHBondContact O-N 3.04Å; V236-H238 PolarHBondContact O-CD2 2.95Å; H238-K268 CarbonylContact C-O 3.57Å; H238-K268 WeakPolarHBondContact CA-O 3.46Å
239I96.8Very high96.1Very high6 Ų643.5 Ų43.53%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-106.2110.6175.4-58178.7000107.6F151 L228 F237 M242 W254 I257 V267 K268 G269 D270F151-I239 HydrophobicContact CE2-CD1 4.37Å; F151-I239 HydrophobicContact CZ-CD1 4.02Å; L228-I239 HydrophobicContact CD1-CB 4.25Å; L228-I239 HydrophobicContact CD1-CD1 4.23Å; L228-I239 HydrophobicContact CD1-CG1 3.97Å; L228-I239 HydrophobicContact CD1-CG2 3.57Å; F237-I239 HydrophobicContact CD1-CD1 4.4Å; F237-I239 HydrophobicContact CD1-CG1 3.78Å; F237-I239 HydrophobicContact CE1-CD1 4.4Å; F237-I239 HydrophobicContact CE1-CG1 3.8Å; I239-M242 HydrophobicContact CG2-CB 4.37Å; I239-W254 HydrophobicContact CD1-CH2 4.48Å; I239-I257 HydrophobicContact CD1-CD1 3.6Å; I239-I257 HydrophobicContact CD1-CG1 4.38Å; I239-V267 HydrophobicContact CD1-CG1 3.62Å; I239-V267 HydrophobicContact CG1-CG1 4.07Å; I239-K268 PolarHBondContact N-O 3.32Å; I239-G269 VanDerWaalsContact O-CA 3.26Å; I239-G269 WeakPolarHBondContact O-CA 3.28Å; I239-D270 PolarHBondContact O-N 3.44Å
240K94.5Very high96Very high26 Ų2645.2 Ų45.211%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-68.4-52.4172.6177.8174176.2410110.2Y203 W204 E207 F229 W231 F272Y203-K240 HydrophobicContact CE1-CD 4.31Å; Y203-K240 WeakPolarHBondContact OH-CE 3.49Å; W204-K240 HydrophobicContact CE3-CD 4.33Å; W204-K240 HydrophobicContact CH2-CD 3.7Å; W204-K240 HydrophobicContact CZ3-CD 3.46Å; W204-K240 VanDerWaalsContact CZ3-CD 3.46Å; W204-K240 VanDerWaalsContact CZ3-CE 3.43Å; E207-K240 VanDerWaalsContact CD-CE 3.49Å; E207-K240 VanDerWaalsContact OE1-CD 3.3Å; E207-K240 WeakPolarHBondContact OE1-CD 3.49Å; E207-K240 WeakPolarHBondContact OE1-CE 3.38Å; E207-K240 IonicContact OE1-NZ 3.88Å; E207-K240 PolarHBondContact OE1-NZ 3.47Å; E207-K240 WeakPolarHBondContact OE2-CD 3.46Å; F229-K240 HydrophobicContact CB-CB 3.99Å; F229-K240 PolarHBondContact O-N 2.98Å; W231-K240 HydrophobicContact CZ3-CB 4.12Å; K240-F272 WeakPolarHBondContact O-CE2 3.37Å
241E95.3Very high96Very high19 Ų1946.8 Ų46.89%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-160.4151.9177.7-168.5171.1-17400108.9Y203 F229 F243 F272Y203-E241 PolarHBondContact OH-OE2 3.03Å; F229-E241 HydrophobicContact CD2-CB 4.45Å; F229-E241 PolarHBondContact N-O 3.29Å; E241-F243 HydrophobicContact CG-CD1 4.31Å; E241-F272 HydrophobicContact CB-CD2 4.34Å; E241-F272 HydrophobicContact CB-CE2 4.07Å; E241-F272 HydrophobicContact CG-CD2 3.82Å; E241-F272 HydrophobicContact CG-CE2 4.06Å
242M97Very high96.1Very high39 Ų3944 Ų4419%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-134.3126.1170.5-178.917961.100108.6V227 L228 I239 Y244 L253 W254V227-M242 WeakPolarHBondContact O-CA 3.36Å; L228-M242 HydrophobicContact CB-CG 4.41Å; L228-M242 HydrophobicContact CD1-CB 3.99Å; L228-M242 HydrophobicContact CD1-CG 4.32Å; L228-M242 HydrophobicContact CD1-SD 4.5Å; I239-M242 HydrophobicContact CG2-CB 4.37Å; M242-Y244 HydrophobicContact CE-CD1 4.35Å; M242-Y244 HydrophobicContact CE-CE1 4.04Å; M242-Y244 HydrophobicContact CG-CD1 4.22Å; M242-L253 HydrophobicContact CG-CD1 3.64Å; M242-L253 HydrophobicContact SD-CB 3.66Å; M242-L253 HydrophobicContact SD-CD1 3.82Å; M242-L253 HydrophobicContact SD-CG 4.4Å; M242-W254 HydrophobicContact CE-CZ2 4.45Å
243F97.2Very high96.2Very high1 Ų140.7 Ų40.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-132.2141177.252.7-91.5000110.4V178 V181 Y182 F185 G226 V227 F229 E241V178-F243 HydrophobicContact CG1-CZ 4.34Å; V181-F243 HydrophobicContact CB-CE2 4.23Å; V181-F243 HydrophobicContact CG1-CD2 3.91Å; V181-F243 HydrophobicContact CG1-CE2 3.87Å; Y182-F243 HydrophobicContact CD2-CD1 4.36Å; Y182-F243 HydrophobicContact CD2-CD2 4.34Å; Y182-F243 HydrophobicContact CD2-CE1 4.17Å; Y182-F243 HydrophobicContact CD2-CE2 4.14Å; Y182-F243 HydrophobicContact CD2-CG 4.45Å; Y182-F243 HydrophobicContact CD2-CZ 4.05Å; Y182-F243 HydrophobicContact CG-CE2 4.46Å; Y182-F243 HydrophobicContact CG-CZ 4.5Å; F185-F243 HydrophobicContact CB-CD2 4.39Å; F185-F243 HydrophobicContact CD1-CB 4.18Å; F185-F243 HydrophobicContact CD2-CB 3.83Å; F185-F243 HydrophobicContact CE1-CB 4.23Å; F185-F243 HydrophobicContact CE2-CB 3.87Å; F185-F243 HydrophobicContact CG-CB 3.98Å; F185-F243 HydrophobicContact CG-CD2 4.48Å; F185-F243 HydrophobicContact CZ-CB 4.08Å; G226-F243 CarbonylContact C-O 3.45Å; G226-F243 WeakPolarHBondContact CA-O 3.37Å; V227-F243 HydrophobicContact CB-CD2 4.13Å; V227-F243 HydrophobicContact CB-CE1 4.06Å; V227-F243 HydrophobicContact CB-CE2 3.53Å; V227-F243 HydrophobicContact CB-CZ 3.49Å; V227-F243 VanDerWaalsContact CB-CZ 3.49Å; V227-F243 HydrophobicContact CG1-CE1 4.15Å; V227-F243 HydrophobicContact CG1-CE2 4.29Å; V227-F243 HydrophobicContact CG1-CZ 3.74Å; V227-F243 HydrophobicContact CG2-CD2 4.46Å; V227-F243 HydrophobicContact CG2-CE2 3.63Å; V227-F243 HydrophobicContact CG2-CZ 3.89Å; V227-F243 PolarHBondContact N-O 3.46Å; V227-F243 PolarHBondContact O-N 2.96Å; F229-F243 HydrophobicContact CD2-CE1 4.2Å; F229-F243 AromaticContact CE2-CE1 3.61Å; F229-F243 HydrophobicContact CE2-CE1 3.61Å; F229-F243 HydrophobicContact CE2-CZ 4.16Å; F229-F243 AromaticContact CZ-CE1 3.95Å; F229-F243 HydrophobicContact CZ-CE1 3.95Å; F229-F243 HydrophobicContact CZ-CZ 4.04Å; E241-F243 HydrophobicContact CG-CD1 4.31Å
244Y97.5Very high96.4Very high46 Ų4639 Ų3918%0.1819%0.19CC..EExtended strand (participates in β ladder)trans-149149.4-170.549.6-93.2000110.8M242 N246 R250M242-Y244 HydrophobicContact CE-CD1 4.35Å; M242-Y244 HydrophobicContact CE-CE1 4.04Å; M242-Y244 HydrophobicContact CG-CD1 4.22Å; Y244-N246 WeakPolarHBondContact CD2-O 3.33Å; Y244-R250 HydrophobicContact CD1-CB 4.06Å; Y244-R250 HydrophobicContact CD1-CG 4.14Å; Y244-R250 HydrophobicContact CD2-CB 3.77Å; Y244-R250 HydrophobicContact CD2-CG 4.38Å; Y244-R250 HydrophobicContact CE1-CB 4.12Å; Y244-R250 HydrophobicContact CE1-CG 3.75Å; Y244-R250 HydrophobicContact CE2-CB 3.79Å; Y244-R250 HydrophobicContact CE2-CG 3.97Å; Y244-R250 HydrophobicContact CG-CB 3.9Å; Y244-R250 HydrophobicContact CG-CG 4.45Å
245L97Very high96.7Very high54 Ų5433.5 Ų33.528%0.28316%0.161SC..SBendtrans-89.1-19.2-177.4-56.2-177.6000112.7V181 E184 F185 T225V181-L245 HydrophobicContact CG1-CG 4.31Å; E184-L245 HydrophobicContact CB-CD1 3.87Å; E184-L245 HydrophobicContact CB-CD2 3.78Å; E184-L245 WeakPolarHBondContact OE2-CD1 3.48Å; F185-L245 HydrophobicContact CB-CD2 3.94Å; T225-L245 PolarHBondContact O-N 3.41Å
246N96.2Very high96.8Very high59 Ų5929.8 Ų29.832%0.31614%0.143SC..SBendtrans-156.1171.5-177.860.748.9000112.1Y244 E248 A249 R250Y244-N246 WeakPolarHBondContact CD2-O 3.33Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 2.82Å; N246-E248 WeakPolarHBondContact OD1-CB 3.27Å; N246-E248 PolarHBondContact OD1-N 2.93Å; N246-A249 PolarHBondContact O-N 2.96Å; N246-A249 WeakPolarHBondContact OD1-CB 3.31Å; N246-A249 PolarHBondContact OD1-N 3.13Å; N246-R250 PolarHBondContact O-N 3.22Å
247Q95Very high96.8Very high96 Ų9628.6 Ų28.645%0.44914%0.136SC..Hα-helixtrans-71.4-25.3-177.3-61.6-59.1-28.600113.5R250 N251Q247-R250 VanDerWaalsContact OE1-NE 3.13Å; Q247-N251 PolarHBondContact O-N 2.88Å; Q247-N251 PolarHBondContact O-ND2 3.45Å
248E97.3Very high96.7Very high62 Ų6229.2 Ų29.229%0.2914%0.14SC..Hα-helixtrans-63.3-51174.2175.9176.7150.600110.3L164 P165 Y217 N246 R250 N251 G252L164-E248 HydrophobicContact CD2-CG 4.27Å; P165-E248 WeakPolarHBondContact CG-OE1 3.26Å; Y217-E248 HydrophobicContact CE1-CG 3.86Å; Y217-E248 WeakPolarHBondContact OH-CG 3.48Å; Y217-E248 PolarHBondContact OH-OE1 3.37Å; Y217-E248 VanDerWaalsContact OH-OE1 3.14Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 2.82Å; N246-E248 WeakPolarHBondContact OD1-CB 3.27Å; N246-E248 PolarHBondContact OD1-N 2.93Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.45Å; E248-N251 PolarHBondContact O-N 3.28Å; E248-G252 PolarHBondContact O-N 3.49Å
249A97.7Very high96.6Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-60-42.6176.700000112.4Y217 T225 N246 N251 G252 L253Y217-A249 VanDerWaalsContact CD1-CA 3.46Å; Y217-A249 HydrophobicContact CD1-CB 3.69Å; Y217-A249 HydrophobicContact CE1-CB 4.33Å; Y217-A249 HydrophobicContact CG-CB 4.25Å; T225-A249 WeakPolarHBondContact O-CB 3.34Å; N246-A249 PolarHBondContact O-N 2.96Å; N246-A249 WeakPolarHBondContact OD1-CB 3.31Å; N246-A249 PolarHBondContact OD1-N 3.13Å; A249-N251 PolarHBondContact O-N 2.9Å; A249-G252 PolarHBondContact O-N 2.9Å; A249-L253 VanDerWaalsContact O-CG 3.32Å; A249-L253 WeakPolarHBondContact O-CG 3.35Å; A249-L253 PolarHBondContact O-N 2.9Å
250R96.6Very high96.6Very high35 Ų3530.8 Ų30.813%0.13216%0.158CC..Hα-helixtrans-55.1-50.7173.5-172.5-160.671.6179.92.6111.7Y244 N246 Q247 E248 G252 L253 W254Y244-R250 HydrophobicContact CD1-CB 4.06Å; Y244-R250 HydrophobicContact CD1-CG 4.14Å; Y244-R250 HydrophobicContact CD2-CB 3.77Å; Y244-R250 HydrophobicContact CD2-CG 4.38Å; Y244-R250 HydrophobicContact CE1-CB 4.12Å; Y244-R250 HydrophobicContact CE1-CG 3.75Å; Y244-R250 HydrophobicContact CE2-CB 3.79Å; Y244-R250 HydrophobicContact CE2-CG 3.97Å; Y244-R250 HydrophobicContact CG-CB 3.9Å; Y244-R250 HydrophobicContact CG-CG 4.45Å; N246-R250 PolarHBondContact O-N 3.22Å; Q247-R250 VanDerWaalsContact OE1-NE 3.13Å; E248-R250 VanDerWaalsContact C-N 3.34Å; E248-R250 PolarHBondContact O-N 3.45Å; R250-G252 VanDerWaalsContact C-N 3.32Å; R250-G252 PolarHBondContact O-N 3.34Å; R250-L253 PolarHBondContact O-N 3.32Å; R250-W254 VanDerWaalsContact O-CD1 3.31Å; R250-W254 PolarHBondContact O-N 3.33Å
251N96.4Very high96.5Very high39 Ų3934.5 Ų34.521%0.20917%0.174CC..Hα-helixtrans-65.8-36.9180-65.7-19.1000111.2L164 Q247 E248 A249 W254 N255L164-N251 HydrophobicContact CD1-CB 3.73Å; L164-N251 HydrophobicContact CD2-CB 4.42Å; Q247-N251 PolarHBondContact O-N 2.88Å; Q247-N251 PolarHBondContact O-ND2 3.45Å; E248-N251 PolarHBondContact O-N 3.28Å; A249-N251 PolarHBondContact O-N 2.9Å; N251-W254 PolarHBondContact O-N 2.97Å; N251-N255 PolarHBondContact O-N 2.92Å; N251-N255 PolarHBondContact O-OD1 3.23Å
252G97.7Very high96.4Very high3 Ų338.9 Ų38.93%0.03121%0.206CC..Hα-helixtrans-63.3-42.2176.400000113.4L164 E248 A249 R250 N255 F256L164-G252 VanDerWaalsContact CD1-CA 3.49Å; E248-G252 PolarHBondContact O-N 3.49Å; A249-G252 PolarHBondContact O-N 2.9Å; R250-G252 VanDerWaalsContact C-N 3.32Å; R250-G252 PolarHBondContact O-N 3.34Å; G252-N255 WeakPolarHBondContact O-CB 3.23Å; G252-N255 PolarHBondContact O-N 2.97Å; G252-F256 PolarHBondContact O-N 2.91Å; G252-F256 VanDerWaalsContact O-N 3.09Å
253L98Very high96.1Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-68.6-38.4174.8-64.3174.2000111.7A215 L228 M242 A249 R250 F256 I257A215-L253 WeakPolarHBondContact O-CD2 3.2Å; L228-L253 HydrophobicContact CB-CD1 4.3Å; L228-L253 HydrophobicContact CB-CD2 3.94Å; M242-L253 HydrophobicContact CG-CD1 3.64Å; M242-L253 HydrophobicContact SD-CB 3.66Å; M242-L253 HydrophobicContact SD-CD1 3.82Å; M242-L253 HydrophobicContact SD-CG 4.4Å; A249-L253 VanDerWaalsContact O-CG 3.32Å; A249-L253 WeakPolarHBondContact O-CG 3.35Å; A249-L253 PolarHBondContact O-N 2.9Å; R250-L253 PolarHBondContact O-N 3.32Å; L253-F256 WeakPolarHBondContact O-CB 3.22Å; L253-F256 PolarHBondContact O-N 3.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.36Å; L253-I257 PolarHBondContact O-N 3.06Å
254W97.1Very high96.1Very high14 Ų1442 Ų425%0.05322%0.222CC..Hα-helixtrans-66.6-37.4172.4-84.1113.8000113.2F151 I153 L158 P159 I239 M242 R250 N251 F256 I257 S258 L277F151-W254 HydrophobicContact CE2-CH2 4.18Å; F151-W254 HydrophobicContact CZ-CH2 4.39Å; I153-W254 HydrophobicContact CD1-CH2 3.91Å; I153-W254 HydrophobicContact CD1-CZ3 3.77Å; L158-W254 HydrophobicContact CD2-CE3 4.47Å; L158-W254 HydrophobicContact CD2-CZ3 4.16Å; P159-W254 HydrophobicContact CG-CB 3.91Å; P159-W254 HydrophobicContact CG-CD2 4.01Å; P159-W254 HydrophobicContact CG-CE3 3.81Å; P159-W254 HydrophobicContact CG-CG 4.08Å; I239-W254 HydrophobicContact CD1-CH2 4.48Å; M242-W254 HydrophobicContact CE-CZ2 4.45Å; R250-W254 VanDerWaalsContact O-CD1 3.31Å; R250-W254 PolarHBondContact O-N 3.33Å; N251-W254 PolarHBondContact O-N 2.97Å; W254-F256 VanDerWaalsContact C-N 3.26Å; W254-F256 PolarHBondContact O-N 3.18Å; W254-I257 HydrophobicContact CD2-CD1 4.05Å; W254-I257 HydrophobicContact CE3-CB 4.13Å; W254-I257 HydrophobicContact CE3-CD1 3.73Å; W254-I257 HydrophobicContact CE3-CG2 4.14Å; W254-I257 HydrophobicContact CH2-CD1 4.47Å; W254-I257 HydrophobicContact CZ3-CB 4.49Å; W254-I257 HydrophobicContact CZ3-CD1 3.97Å; W254-I257 HydrophobicContact CZ3-CG2 4.04Å; W254-I257 PolarHBondContact O-N 3.02Å; W254-S258 WeakPolarHBondContact O-CB 3.26Å; W254-S258 PolarHBondContact O-N 3.17Å; W254-S258 PolarHBondContact O-OG 3.05Å; W254-L277 HydrophobicContact CH2-CD2 3.88Å; W254-L277 HydrophobicContact CZ2-CD1 3.6Å; W254-L277 HydrophobicContact CZ2-CD2 3.7Å; W254-L277 HydrophobicContact CZ2-CG 4.27Å
255N96.9Very high96Very high31 Ų3145.8 Ų45.817%0.16624%0.237CC..Hα-helixtrans-57.3-43.4170.7-77.2-3.9000111.1Q161 V162 N251 G252 S258 A259Q161-N255 VanDerWaalsContact CA-OD1 3.26Å; Q161-N255 WeakPolarHBondContact CA-OD1 3.44Å; V162-N255 PolarHBondContact N-OD1 2.97Å; V162-N255 PolarHBondContact O-ND2 3.4Å; N251-N255 PolarHBondContact O-N 2.92Å; N251-N255 PolarHBondContact O-OD1 3.23Å; G252-N255 WeakPolarHBondContact O-CB 3.23Å; G252-N255 PolarHBondContact O-N 2.97Å; N255-S258 PolarHBondContact O-N 3.13Å; N255-A259 PolarHBondContact O-N 2.92Å
256F97.4Very high96Very high32 Ų3247.7 Ų47.714%0.1424%0.24CC..Hα-helixtrans-63.7-45.6177.1175.8-96.5000111.7V168 R170 A215 L228 Y230 F237 G252 L253 W254 A259 H260V168-F256 HydrophobicContact CB-CB 4.43Å; V168-F256 HydrophobicContact CB-CD2 4.08Å; V168-F256 HydrophobicContact CB-CG 4.44Å; V168-F256 HydrophobicContact CG1-CB 4.29Å; V168-F256 HydrophobicContact CG1-CD1 4.5Å; V168-F256 HydrophobicContact CG1-CD2 3.63Å; V168-F256 HydrophobicContact CG1-CE2 4Å; V168-F256 HydrophobicContact CG1-CG 3.9Å; V168-F256 HydrophobicContact CG2-CB 4.08Å; R170-F256 HydrophobicContact CG-CE2 4.23Å; R170-F256 HydrophobicContact CG-CZ 3.96Å; A215-F256 HydrophobicContact CB-CD1 3.88Å; A215-F256 HydrophobicContact CB-CE1 3.5Å; A215-F256 HydrophobicContact CB-CZ 3.88Å; L228-F256 HydrophobicContact CD2-CD1 3.96Å; L228-F256 HydrophobicContact CD2-CE1 4.29Å; Y230-F256 HydrophobicContact CD1-CE1 4.31Å; Y230-F256 AromaticContact CE1-CE1 3.69Å; Y230-F256 HydrophobicContact CE1-CE1 3.69Å; Y230-F256 AromaticContact CE1-CZ 4Å; Y230-F256 HydrophobicContact CE1-CZ 4Å; Y230-F256 HydrophobicContact CE2-CE1 4.38Å; Y230-F256 AromaticContact CZ-CE1 3.73Å; Y230-F256 AromaticContact CZ-CZ 3.81Å; Y230-F256 WeakPolarHBondContact OH-CZ 3.32Å; F237-F256 HydrophobicContact CZ-CE1 4.37Å; G252-F256 PolarHBondContact O-N 2.91Å; G252-F256 VanDerWaalsContact O-N 3.09Å; L253-F256 WeakPolarHBondContact O-CB 3.22Å; L253-F256 PolarHBondContact O-N 3.43Å; W254-F256 VanDerWaalsContact C-N 3.26Å; W254-F256 PolarHBondContact O-N 3.18Å; F256-A259 WeakPolarHBondContact O-CB 3.49Å; F256-A259 PolarHBondContact O-N 2.91Å; F256-H260 AromaticContact CD1-CE1 3.97Å; F256-H260 AromaticContact CE1-CE1 3.56Å; F256-H260 AromaticContact CE2-CE1 3.86Å; F256-H260 AromaticContact CZ-CE1 3.51Å; F256-H260 PolarHBondContact O-CE1 3.4Å; F256-H260 PolarHBondContact O-ND1 3.01Å
257I97.1Very high96Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-58.9-49.2173.8-65159.1000110.1L158 L228 F237 I239 L253 W254 A259 H260 V267L158-I257 HydrophobicContact CD2-CG2 3.85Å; L228-I257 HydrophobicContact CD1-CD1 4.33Å; L228-I257 HydrophobicContact CD2-CD1 3.83Å; L228-I257 HydrophobicContact CD2-CG1 3.56Å; F237-I257 HydrophobicContact CD1-CG2 4.39Å; F237-I257 HydrophobicContact CE1-CG1 3.91Å; F237-I257 HydrophobicContact CE1-CG2 4.46Å; F237-I257 HydrophobicContact CZ-CG1 3.98Å; I239-I257 HydrophobicContact CD1-CD1 3.6Å; I239-I257 HydrophobicContact CD1-CG1 4.38Å; L253-I257 WeakPolarHBondContact O-CG1 3.36Å; L253-I257 PolarHBondContact O-N 3.06Å; W254-I257 HydrophobicContact CD2-CD1 4.05Å; W254-I257 HydrophobicContact CE3-CB 4.13Å; W254-I257 HydrophobicContact CE3-CD1 3.73Å; W254-I257 HydrophobicContact CE3-CG2 4.14Å; W254-I257 HydrophobicContact CH2-CD1 4.47Å; W254-I257 HydrophobicContact CZ3-CB 4.49Å; W254-I257 HydrophobicContact CZ3-CD1 3.97Å; W254-I257 HydrophobicContact CZ3-CG2 4.04Å; W254-I257 PolarHBondContact O-N 3.02Å; I257-A259 PolarHBondContact O-N 3.38Å; I257-H260 WeakPolarHBondContact O-CB 3.38Å; I257-H260 PolarHBondContact O-N 3.26Å; I257-V267 HydrophobicContact CG2-CG1 4.09Å; I257-V267 HydrophobicContact CG2-CG2 3.95Å
258S95.4Very high96.1Very high13 Ų1345.4 Ų45.49%0.09123%0.226CC..Hα-helixtrans-60.8-28.2179-66.40000113.5P159 W254 N255 H260 F261P159-S258 PolarHBondContact O-OG 3.4Å; W254-S258 WeakPolarHBondContact O-CB 3.26Å; W254-S258 PolarHBondContact O-N 3.17Å; W254-S258 PolarHBondContact O-OG 3.05Å; N255-S258 PolarHBondContact O-N 3.13Å; S258-H260 PolarHBondContact O-N 3.26Å; S258-F261 VanDerWaalsContact O-CB 3.22Å; S258-F261 WeakPolarHBondContact O-CB 3.38Å; S258-F261 PolarHBondContact O-N 2.9Å; S258-F261 VanDerWaalsContact O-N 3.15Å
259A95.3Very high96Very high59 Ų5942.5 Ų42.549%0.48821%0.213SC..THydrogen-bonded Turntrans-67.2-14.9175.100000113.6N255 F256 I257 F261N255-A259 PolarHBondContact O-N 2.92Å; F256-A259 WeakPolarHBondContact O-CB 3.49Å; F256-A259 PolarHBondContact O-N 2.91Å; I257-A259 PolarHBondContact O-N 3.38Å; A259-F261 VanDerWaalsContact C-N 3.27Å
260H95.6Very high95.8Very high18 Ų1844.2 Ų44.28%0.08322%0.222CC..THydrogen-bonded Turntrans-85.84.6174.5-62.472.8000113.1I232 F237 F256 I257 S258 S262 M263 V264I232-H260 VanDerWaalsContact CD1-CD2 3.44Å; I232-H260 WeakPolarHBondContact CD1-CD2 3.35Å; F237-H260 HydrophobicContact CD2-CB 3.94Å; F237-H260 AromaticContact CD2-CG 3.85Å; F237-H260 HydrophobicContact CE2-CB 4.21Å; F237-H260 AromaticContact CE2-CD2 3.81Å; F237-H260 AromaticContact CE2-CE1 3.86Å; F237-H260 AromaticContact CE2-CG 3.64Å; F237-H260 AromaticContact CE2-ND1 3.66Å; F237-H260 AromaticContact CE2-NE2 3.97Å; F256-H260 AromaticContact CD1-CE1 3.97Å; F256-H260 AromaticContact CE1-CE1 3.56Å; F256-H260 AromaticContact CE2-CE1 3.86Å; F256-H260 AromaticContact CZ-CE1 3.51Å; F256-H260 PolarHBondContact O-CE1 3.4Å; F256-H260 PolarHBondContact O-ND1 3.01Å; I257-H260 WeakPolarHBondContact O-CB 3.38Å; I257-H260 PolarHBondContact O-N 3.26Å; S258-H260 PolarHBondContact O-N 3.26Å; H260-S262 PolarHBondContact O-N 2.84Å; H260-M263 HydrophobicContact CB-CE 3.82Å; H260-M263 WeakPolarHBondContact CD2-CE 3.49Å; H260-M263 PolarHBondContact O-N 3.16Å; H260-V264 PolarHBondContact O-N 3.01Å
261F93.1Very high95.7Very high105 Ų10544.5 Ų44.546%0.46123%0.226SC..THydrogen-bonded Turntrans-47.9-34.6-178178.7-90.6000114.3D155 L158 S258 A259 M263D155-F261 HydrophobicContact CB-CD2 3.96Å; D155-F261 HydrophobicContact CB-CE2 3.9Å; D155-F261 WeakPolarHBondContact O-CD2 3.19Å; D155-F261 WeakPolarHBondContact O-CE2 3.22Å; L158-F261 HydrophobicContact CD1-CD2 4.27Å; S258-F261 VanDerWaalsContact O-CB 3.22Å; S258-F261 WeakPolarHBondContact O-CB 3.38Å; S258-F261 PolarHBondContact O-N 2.9Å; S258-F261 VanDerWaalsContact O-N 3.15Å; A259-F261 VanDerWaalsContact C-N 3.27Å; F261-M263 VanDerWaalsContact C-N 3.28Å; F261-M263 PolarHBondContact O-N 2.65Å
262S92.3Very high95.5Very high110 Ų11045.1 Ų45.177%0.76923%0.227SC*.THydrogen-bonded Turntrans-79.1-5179.463.90000115H260H260-S262 PolarHBondContact O-N 2.84Å
263M92.3Very high94.9Very high101 Ų10149.9 Ų49.950%0.49825%0.247SC..THydrogen-bonded Turntrans-115.5-13-173.9-63.6-177.6-75.100113.6H260 F261H260-M263 HydrophobicContact CB-CE 3.82Å; H260-M263 WeakPolarHBondContact CD2-CE 3.49Å; H260-M263 PolarHBondContact O-N 3.16Å; F261-M263 VanDerWaalsContact C-N 3.28Å; F261-M263 PolarHBondContact O-N 2.65Å
264V95.7Very high94.3Very high4 Ų454.3 Ų54.32%0.02427%0.27CS..  trans-137.7146.5-172.2-56.40000111.4D155 I232 E235 F237 H260D155-V264 WeakPolarHBondContact CB-O 3.2Å; I232-V264 HydrophobicContact CG2-CG1 3.95Å; E235-V264 CarbonylContact O-C 3.58Å; E235-V264 VanDerWaalsContact O-CA 3.23Å; E235-V264 WeakPolarHBondContact O-CA 3.38Å; E235-V264 WeakPolarHBondContact O-CB 3.38Å; F237-V264 HydrophobicContact CB-CB 4.49Å; F237-V264 HydrophobicContact CB-CG1 4.09Å; F237-V264 HydrophobicContact CB-CG2 4.25Å; H260-V264 PolarHBondContact O-N 3.01Å
265Y96Very high93.7Very high127 Ų12756.4 Ų56.450%0.49828%0.281SS..SBendtrans-93.8-23.4170.5-69.6-56.6000112.7D155 E235D155-Y265 PolarHBondContact N-O 3.21Å; E235-Y265 HydrophobicContact CB-CD2 3.86Å; E235-Y265 HydrophobicContact CB-CE2 4.41Å; E235-Y265 VanDerWaalsContact CD-CE2 3.46Å; E235-Y265 HydrophobicContact CG-CD2 4.43Å; E235-Y265 PolarHBondContact O-N 3.3Å; E235-Y265 WeakPolarHBondContact OE2-CD2 3.19Å; E235-Y265 WeakPolarHBondContact OE2-CE2 3.5Å
266W96.7Very high93.2Very high93 Ų9357.7 Ų57.735%0.35229%0.291SS..EExtended strand (participates in β ladder)trans-139.7148.3-175-60.295.5000111.5K152 I153 K154 V236 F237K152-W266 HydrophobicContact CD-CE3 4.15Å; K152-W266 VanDerWaalsContact CE-CE3 3.42Å; K152-W266 HydrophobicContact CG-CD2 4.47Å; K152-W266 HydrophobicContact CG-CE3 3.81Å; K152-W266 HydrophobicContact CG-CZ3 4.37Å; I153-W266 WeakPolarHBondContact O-CA 3.12Å; K154-W266 HydrophobicContact CB-CE3 3.94Å; K154-W266 HydrophobicContact CB-CH2 4.12Å; K154-W266 HydrophobicContact CB-CZ3 3.61Å; K154-W266 HydrophobicContact CD-CH2 4.38Å; K154-W266 HydrophobicContact CG-CH2 4.42Å; K154-W266 HydrophobicContact CG-CZ3 4.31Å; V236-W266 CarbonylContact C-O 3.49Å; V236-W266 WeakPolarHBondContact CA-O 3.48Å; V236-W266 HydrophobicContact CG1-CB 4.24Å; V236-W266 HydrophobicContact CG2-CB 4.26Å; F237-W266 PolarHBondContact N-O 3.37Å
267V96.7Very high92.7Very high0 Ų056.4 Ų56.40%029%0.285CS..EExtended strand (participates in β ladder)trans-114.1125.5162.5-176.50000108.1F151 K152 I153 L158 F237 I239 I257F151-V267 HydrophobicContact CE2-CG1 4.43Å; K152-V267 WeakPolarHBondContact CA-O 3.46Å; I153-V267 HydrophobicContact CD1-CB 4.15Å; I153-V267 HydrophobicContact CG1-CB 3.69Å; I153-V267 HydrophobicContact CG1-CG1 4.48Å; I153-V267 HydrophobicContact CG1-CG2 4.41Å; I153-V267 PolarHBondContact N-O 3.43Å; I153-V267 PolarHBondContact O-N 3.05Å; L158-V267 HydrophobicContact CD1-CG2 4.33Å; L158-V267 HydrophobicContact CD2-CG2 3.8Å; L158-V267 HydrophobicContact CG-CG2 4.42Å; F237-V267 HydrophobicContact CB-CB 4.34Å; F237-V267 HydrophobicContact CB-CG1 4.23Å; F237-V267 HydrophobicContact CB-CG2 3.88Å; F237-V267 HydrophobicContact CD1-CG1 4.14Å; F237-V267 CarbonylContact O-C 3.6Å; F237-V267 VanDerWaalsContact O-CA 3.31Å; F237-V267 WeakPolarHBondContact O-CA 3.31Å; I239-V267 HydrophobicContact CD1-CG1 3.62Å; I239-V267 HydrophobicContact CG1-CG1 4.07Å; I257-V267 HydrophobicContact CG2-CG1 4.09Å; I257-V267 HydrophobicContact CG2-CG2 3.95Å
268K96.6Very high92.4Very high107 Ų10757.9 Ų57.947%0.46530%0.296SS..EExtended strand (participates in β ladder)trans-120130.7178.5-177-175.2176.8-171.60108.5F151 V236 F237 H238 I239F151-K268 WeakPolarHBondContact O-CA 3.39Å; V236-K268 HydrophobicContact CG1-CB 4.05Å; F237-K268 PolarHBondContact O-N 3.38Å; H238-K268 CarbonylContact C-O 3.57Å; H238-K268 WeakPolarHBondContact CA-O 3.46Å; I239-K268 PolarHBondContact N-O 3.32Å
269G95.3Very high92.1Very high2 Ų265.8 Ų65.82%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-152.3170.4-179.600000114.8S150 F151 I239S150-G269 WeakPolarHBondContact CA-O 3.5Å; F151-G269 WeakPolarHBondContact CD1-O 3.27Å; F151-G269 VanDerWaalsContact CE1-C 3.43Å; F151-G269 VanDerWaalsContact CZ-CA 3.49Å; F151-G269 PolarHBondContact N-O 3.42Å; F151-G269 PolarHBondContact O-N 3.09Å; I239-G269 VanDerWaalsContact O-CA 3.26Å; I239-G269 WeakPolarHBondContact O-CA 3.28Å
270D94.6Very high91.8Very high35 Ų3565.4 Ų65.419%0.18732%0.318CS..EExtended strand (participates in β ladder)trans-122.1142.1176.5-68.4-43.3000110.8K148 L149 S150 I239 F272K148-D270 WeakPolarHBondContact CE-OD1 3.48Å; K148-D270 WeakPolarHBondContact CE-OD2 3.23Å; K148-D270 VanDerWaalsContact NZ-CG 3.26Å; K148-D270 IonicContact NZ-OD1 3.83Å; K148-D270 PolarHBondContact NZ-OD1 2.84Å; K148-D270 IonicContact NZ-OD2 2.76Å; K148-D270 PolarHBondContact NZ-OD2 2.98Å; L149-D270 CarbonylContact O-C 3.59Å; L149-D270 WeakPolarHBondContact O-CA 3.39Å; S150-D270 VanDerWaalsContact CB-OD1 3.3Å; S150-D270 WeakPolarHBondContact CB-OD1 3.39Å; S150-D270 PolarHBondContact OG-OD1 2.88Å; I239-D270 PolarHBondContact O-N 3.44Å; D270-F272 HydrophobicContact CB-CE2 4.21Å; D270-F272 HydrophobicContact CB-CZ 4.09Å
271I93.1Very high91.5Very high41 Ų4165 Ų6521%0.2132%0.317CS..EExtended strand (participates in β ladder)trans-123.7122.9173.2-53.8178.4000107.4K148 L149 F151 K273 L277K148-I271 WeakPolarHBondContact CA-O 3.4Å; L149-I271 HydrophobicContact CB-CB 4.29Å; L149-I271 PolarHBondContact N-O 3.25Å; L149-I271 PolarHBondContact O-N 3.29Å; F151-I271 HydrophobicContact CD1-CD1 4.11Å; F151-I271 HydrophobicContact CD1-CG1 4.04Å; F151-I271 HydrophobicContact CE1-CD1 4Å; F151-I271 HydrophobicContact CE1-CG1 3.74Å; I271-K273 HydrophobicContact CG2-CB 4.39Å; I271-K273 PolarHBondContact O-N 3.07Å; I271-L277 HydrophobicContact CD1-CB 3.85Å
272F92.9Very high91.2Very high52 Ų5265.7 Ų65.723%0.22833%0.325CS..SBendtrans-93.133.4-176.3-60.8-79.1000113.1D147 K148 K240 E241 D270 F293D147-F272 CarbonylContact O-C 3.39Å; K148-F272 HydrophobicContact CB-CD1 4.45Å; K148-F272 HydrophobicContact CD-CD1 4.46Å; K148-F272 HydrophobicContact CD-CE1 3.93Å; K148-F272 HydrophobicContact CG-CD1 4.17Å; K148-F272 HydrophobicContact CG-CE1 4.08Å; K240-F272 WeakPolarHBondContact O-CE2 3.37Å; E241-F272 HydrophobicContact CB-CD2 4.34Å; E241-F272 HydrophobicContact CB-CE2 4.07Å; E241-F272 HydrophobicContact CG-CD2 3.82Å; E241-F272 HydrophobicContact CG-CE2 4.06Å; D270-F272 HydrophobicContact CB-CE2 4.21Å; D270-F272 HydrophobicContact CB-CZ 4.09Å; F272-F293 HydrophobicContact CB-CE1 4.46Å; F272-F293 AromaticContact CD1-CD1 3.68Å; F272-F293 HydrophobicContact CD1-CD1 3.68Å; F272-F293 HydrophobicContact CD1-CD2 4.47Å; F272-F293 AromaticContact CD1-CE1 3.32Å; F272-F293 HydrophobicContact CD1-CE1 3.32Å; F272-F293 HydrophobicContact CD1-CE2 4.18Å; F272-F293 HydrophobicContact CD1-CG 4.27Å; F272-F293 AromaticContact CD1-CZ 3.61Å; F272-F293 HydrophobicContact CD1-CZ 3.61Å; F272-F293 HydrophobicContact CE1-CD1 4.43Å; F272-F293 AromaticContact CE1-CE1 3.85Å; F272-F293 HydrophobicContact CE1-CE1 3.85Å; F272-F293 AromaticContact CE1-CE2 3.98Å; F272-F293 HydrophobicContact CE1-CE2 3.98Å; F272-F293 AromaticContact CE1-CZ 3.6Å; F272-F293 HydrophobicContact CE1-CZ 3.6Å; F272-F293 HydrophobicContact CG-CE1 4.19Å
273K85.9Confident91.1Very high104 Ų10463.3 Ų63.345%0.45230%0.304SS..SBendtrans-149.3145.5178.8-176.7-176.8173.6-159.50108.5D147 I271 E275D147-K273 PolarHBondContact O-N 3.42Å; I271-K273 HydrophobicContact CG2-CB 4.39Å; I271-K273 PolarHBondContact O-N 3.07Å; K273-E275 HydrophobicContact CD-CB 4.38Å; K273-E275 HydrophobicContact CG-CB 4.39Å; K273-E275 IonicContact NZ-OE2 3.6Å; K273-E275 PolarHBondContact NZ-OE2 3.41Å; K273-E275 PolarHBondContact O-N 3.2Å
274N83.8Confident91Very high92 Ų9261.6 Ų61.649%0.49230%0.302SS..SBendtrans-75.870.3175.9-162.8-15.5000111.4D147D147-N274 HydrophobicContact CB-CB 4.22Å; D147-N274 PolarHBondContact OD2-ND2 3.47Å
275E84.9Confident90.8Very high59 Ų5969.5 Ų69.528%0.27634%0.338SS..  trans-132.394.1178.1-175.5169.1177.300108.2K273 L277K273-E275 HydrophobicContact CD-CB 4.38Å; K273-E275 HydrophobicContact CG-CB 4.39Å; K273-E275 IonicContact NZ-OE2 3.6Å; K273-E275 PolarHBondContact NZ-OE2 3.41Å; K273-E275 PolarHBondContact O-N 3.2Å; E275-L277 PolarHBondContact O-N 2.97Å
276P85.6Confident90.6Very high57 Ų5764.6 Ų64.637%0.3732%0.321SS..  trans-58.7124.6-175.2-26.334.8000112.3L149 S278 F279L149-P276 HydrophobicContact CD2-CG 4.43Å; P276-S278 VanDerWaalsContact C-N 3.27Å; P276-S278 PolarHBondContact O-N 3.45Å; P276-F279 PolarHBondContact O-N 3.17Å
277L88.9Confident90.2Very high5 Ų565.5 Ų65.53%0.02634%0.336CS..G310 helixtrans-67.2-31.9179.8-179.760.9000111.6F151 W254 I271 E275 F279 L280 L281 I286 E288F151-L277 HydrophobicContact CB-CD2 4.43Å; F151-L277 HydrophobicContact CD1-CD2 3.85Å; F151-L277 HydrophobicContact CD2-CD2 3.66Å; F151-L277 HydrophobicContact CE1-CD2 3.92Å; F151-L277 HydrophobicContact CE2-CD2 3.72Å; F151-L277 HydrophobicContact CG-CD2 3.72Å; F151-L277 HydrophobicContact CZ-CD2 3.83Å; W254-L277 HydrophobicContact CH2-CD2 3.88Å; W254-L277 HydrophobicContact CZ2-CD1 3.6Å; W254-L277 HydrophobicContact CZ2-CD2 3.7Å; W254-L277 HydrophobicContact CZ2-CG 4.27Å; I271-L277 HydrophobicContact CD1-CB 3.85Å; E275-L277 PolarHBondContact O-N 2.97Å; L277-F279 PolarHBondContact O-N 2.98Å; L277-F279 VanDerWaalsContact O-N 3.15Å; L277-L280 HydrophobicContact CD1-CB 4.44Å; L277-L280 WeakPolarHBondContact O-CA 3.45Å; L277-L280 WeakPolarHBondContact O-CB 3.37Å; L277-L280 PolarHBondContact O-N 2.96Å; L277-L281 HydrophobicContact CD1-CD2 4.39Å; L277-L281 HydrophobicContact CD1-CG 4.24Å; L277-L281 HydrophobicContact CD2-CD1 4.14Å; L277-L281 HydrophobicContact CG-CD1 3.89Å; L277-L281 HydrophobicContact CG-CD2 4.47Å; L277-L281 HydrophobicContact CG-CG 3.97Å; L277-L281 PolarHBondContact O-N 3.29Å; L277-I286 HydrophobicContact CB-CD1 4.4Å; L277-I286 HydrophobicContact CG-CD1 4.5Å; L277-E288 PolarHBondContact N-OE1 2.63Å; L277-E288 PolarHBondContact N-OE2 3Å
278S89.4Confident90Very high31 Ų3167.6 Ų67.622%0.21735%0.346CS..G310 helixtrans-51.5-35.8177.545.40000113.2P276 L280 S284 E288P276-S278 VanDerWaalsContact C-N 3.27Å; P276-S278 PolarHBondContact O-N 3.45Å; S278-L280 PolarHBondContact O-N 3.25Å; S278-S284 WeakPolarHBondContact O-CB 3.29Å; S278-S284 PolarHBondContact O-OG 2.82Å; S278-E288 WeakPolarHBondContact CB-OE1 3.27Å; S278-E288 PolarHBondContact N-OE1 2.94Å; S278-E288 PolarHBondContact OG-OE1 3.1Å
279F90.3Very high89.9Confident180 Ų18066.7 Ų66.779%0.78935%0.35SS*.G310 helixtrans-68.8-23.4177.2-174.6-102.3000113.2P276 L277P276-F279 PolarHBondContact O-N 3.17Å; L277-F279 PolarHBondContact O-N 2.98Å; L277-F279 VanDerWaalsContact O-N 3.15Å
280L87.6Confident89.8Confident51 Ų5171.2 Ų71.227%0.26737%0.372SS..THydrogen-bonded Turntrans-98.7-11.6-175.4-56.5-179.1000113.5L277 S278L277-L280 HydrophobicContact CD1-CB 4.44Å; L277-L280 WeakPolarHBondContact O-CA 3.45Å; L277-L280 WeakPolarHBondContact O-CB 3.37Å; L277-L280 PolarHBondContact O-N 2.96Å; S278-L280 PolarHBondContact O-N 3.25Å
281L89.8Confident89.8Confident9 Ų971.6 Ų71.65%0.04738%0.38CS..SBendtrans-91.6147.7178.9-67.5176.6000111.9I153 P159 L277 D283 S284 I286I153-L281 HydrophobicContact CG2-CD1 4.04Å; P159-L281 HydrophobicContact CB-CD2 4.41Å; P159-L281 HydrophobicContact CG-CD2 4.23Å; L277-L281 HydrophobicContact CD1-CD2 4.39Å; L277-L281 HydrophobicContact CD1-CG 4.24Å; L277-L281 HydrophobicContact CD2-CD1 4.14Å; L277-L281 HydrophobicContact CG-CD1 3.89Å; L277-L281 HydrophobicContact CG-CD2 4.47Å; L277-L281 HydrophobicContact CG-CG 3.97Å; L277-L281 PolarHBondContact O-N 3.29Å; L281-D283 VanDerWaalsContact C-N 3.31Å; L281-S284 PolarHBondContact O-OG 3.05Å; L281-I286 HydrophobicContact CD1-CD1 3.8Å; L281-I286 HydrophobicContact CD1-CG1 4.47Å; L281-I286 HydrophobicContact CD1-CG2 4.19Å
282D87.5Confident89.8Confident119 Ų11972.4 Ų72.464%0.63639%0.389SS*.SBendtrans-61.1-41.4172.1-71.3-33.6000111.5K160K160-D282 PolarHBondContact N-OD2 3.4Å
283D90.2Very high89.9Confident60 Ų6072.1 Ų72.132%0.32139%0.387SS..  trans-102.995.4170.9-1777.2000109.6Q157 L281 E285Q157-D283 HydrophobicContact CB-CB 4.3Å; Q157-D283 VanDerWaalsContact CG-OD2 3.23Å; Q157-D283 WeakPolarHBondContact CG-OD2 3.41Å; Q157-D283 PolarHBondContact NE2-OD2 3.49Å; L281-D283 VanDerWaalsContact C-N 3.31Å; D283-E285 PolarHBondContact O-N 2.88Å; D283-E285 WeakPolarHBondContact OD1-CB 3.46Å; D283-E285 PolarHBondContact OD1-N 3.36Å; D283-E285 VanDerWaalsContact OD1-N 3.08Å
284S90Very high90.4Very high65 Ų6570 Ų7046%0.45538%0.378SS..  trans-76.7-4.3179.9-50.30000113.8S278 L281 I286S278-S284 WeakPolarHBondContact O-CB 3.29Å; S278-S284 PolarHBondContact O-OG 2.82Å; L281-S284 PolarHBondContact O-OG 3.05Å; S284-I286 PolarHBondContact O-N 2.85Å
285E91.8Very high91.1Very high170 Ų17065.6 Ų65.679%0.79436%0.355SS*.  trans-78.964-179.1-162178.1177.200111.1Q157 D283Q157-E285 PolarHBondContact NE2-O 3.06Å; Q157-E285 VanDerWaalsContact NE2-O 3.07Å; D283-E285 PolarHBondContact O-N 2.88Å; D283-E285 WeakPolarHBondContact OD1-CB 3.46Å; D283-E285 PolarHBondContact OD1-N 3.36Å; D283-E285 VanDerWaalsContact OD1-N 3.08Å
286I90.6Very high91.7Very high25 Ų2563.7 Ų63.713%0.12835%0.349CS..  trans-119.5158.218066.1155.7000110.9I153 L277 L281 S284 E288I153-I286 HydrophobicContact CB-CG2 4.39Å; I153-I286 HydrophobicContact CG2-CB 4.04Å; I153-I286 HydrophobicContact CG2-CD1 3.91Å; I153-I286 HydrophobicContact CG2-CG2 3.57Å; L277-I286 HydrophobicContact CB-CD1 4.4Å; L277-I286 HydrophobicContact CG-CD1 4.5Å; L281-I286 HydrophobicContact CD1-CD1 3.8Å; L281-I286 HydrophobicContact CD1-CG1 4.47Å; L281-I286 HydrophobicContact CD1-CG2 4.19Å; S284-I286 PolarHBondContact O-N 2.85Å; I286-E288 HydrophobicContact CD1-CG 3.7Å; I286-E288 HydrophobicContact CG1-CG 4.21Å
287T88.7Confident92.3Very high111 Ų11161.5 Ų61.568%0.68133%0.334SS*.EExtended strand (participates in β ladder)trans-99.8121.9172-58.40000109.8
288E91.9Very high92.8Very high44 Ų4464.2 Ų64.221%0.20635%0.347CS..EExtended strand (participates in β ladder)trans-114.5130.5171.6-59.3-178.9-110.800108.7S150 F151 L277 S278 I286S150-E288 CarbonylContact O-C 3.57Å; S150-E288 WeakPolarHBondContact O-CA 3.4Å; F151-E288 HydrophobicContact CB-CG 4.1Å; L277-E288 PolarHBondContact N-OE1 2.63Å; L277-E288 PolarHBondContact N-OE2 3Å; S278-E288 WeakPolarHBondContact CB-OE1 3.27Å; S278-E288 PolarHBondContact N-OE1 2.94Å; S278-E288 PolarHBondContact OG-OE1 3.1Å; I286-E288 HydrophobicContact CD1-CG 3.7Å; I286-E288 HydrophobicContact CG1-CG 4.21Å
289T94.2Very high93.3Very high89 Ų8962.7 Ų62.755%0.54634%0.337SS..EExtended strand (participates in β ladder)trans-100.3118.3172.8-57.70000108.7L149 S150L149-T289 WeakPolarHBondContact CA-O 3.23Å; S150-T289 PolarHBondContact N-O 3.01Å; S150-T289 PolarHBondContact O-N 3.39Å
290I94.1Very high93.6Very high96 Ų9654.4 Ų54.449%0.49230%0.301SS..EExtended strand (participates in β ladder)trans-93.7132.4173.8-172.2169000110.3D147 L149D147-I290 HydrophobicContact CB-CD1 4.03Å; D147-I290 HydrophobicContact CB-CG1 3.89Å; L149-I290 HydrophobicContact CD1-CB 4.48Å; L149-I290 HydrophobicContact CD1-CD1 4.13Å; L149-I290 HydrophobicContact CD1-CG1 3.93Å; L149-I290 HydrophobicContact CG-CB 4.44Å; L149-I290 HydrophobicContact CG-CG1 4.42Å
291A93.8Very high94.2Very high43 Ų4352.5 Ų52.536%0.35529%0.291SS..EExtended strand (participates in β ladder)trans-141.114517300000110.9D147 K148 F293D147-A291 WeakPolarHBondContact CA-O 3.46Å; K148-A291 PolarHBondContact N-O 3.11Å; K148-A291 PolarHBondContact O-N 3.3Å; A291-F293 PolarHBondContact O-N 3.14Å
292P94.4Very high94.5Very high59 Ų5957.1 Ų57.138%0.38331%0.311SS..EExtended strand (participates in β ladder)trans-56.8136.5172-2535000111.6I134 I144I134-P292 HydrophobicContact CD1-CB 3.96Å; I134-P292 HydrophobicContact CD1-CG 4.1Å; I144-P292 HydrophobicContact CD1-CB 3.73Å; I144-P292 HydrophobicContact CD1-CG 3.67Å; I144-P292 HydrophobicContact CG1-CB 3.99Å; I144-P292 HydrophobicContact CG1-CG 4.47Å; I144-P292 HydrophobicContact CG2-CB 4.01Å
293F94.7Very high94.9Very high45 Ų4554 Ų5420%0.19729%0.293CS..EExtended strand (participates in β ladder)trans-110.2-68.2-177.5-172.2-133.6000113Y130 P131 S146 K148 F272 A291Y130-F293 HydrophobicContact CD2-CD2 4.29Å; Y130-F293 HydrophobicContact CD2-CE2 4.18Å; Y130-F293 WeakPolarHBondContact CD2-O 3.47Å; Y130-F293 AromaticContact CE2-CD2 3.82Å; Y130-F293 HydrophobicContact CE2-CD2 3.82Å; Y130-F293 AromaticContact CE2-CE2 3.79Å; Y130-F293 HydrophobicContact CE2-CE2 3.79Å; P131-F293 WeakPolarHBondContact CD-O 3.49Å; S146-F293 PolarHBondContact O-N 3.16Å; K148-F293 HydrophobicContact CB-CB 3.89Å; K148-F293 HydrophobicContact CB-CD2 4.21Å; K148-F293 HydrophobicContact CB-CG 4.09Å; K148-F293 HydrophobicContact CD-CD2 4.47Å; F272-F293 HydrophobicContact CB-CE1 4.46Å; F272-F293 AromaticContact CD1-CD1 3.68Å; F272-F293 HydrophobicContact CD1-CD1 3.68Å; F272-F293 HydrophobicContact CD1-CD2 4.47Å; F272-F293 AromaticContact CD1-CE1 3.32Å; F272-F293 HydrophobicContact CD1-CE1 3.32Å; F272-F293 HydrophobicContact CD1-CE2 4.18Å; F272-F293 HydrophobicContact CD1-CG 4.27Å; F272-F293 AromaticContact CD1-CZ 3.61Å; F272-F293 HydrophobicContact CD1-CZ 3.61Å; F272-F293 HydrophobicContact CE1-CD1 4.43Å; F272-F293 AromaticContact CE1-CE1 3.85Å; F272-F293 HydrophobicContact CE1-CE1 3.85Å; F272-F293 AromaticContact CE1-CE2 3.98Å; F272-F293 HydrophobicContact CE1-CE2 3.98Å; F272-F293 AromaticContact CE1-CZ 3.6Å; F272-F293 HydrophobicContact CE1-CZ 3.6Å; F272-F293 HydrophobicContact CG-CE1 4.19Å; A291-F293 PolarHBondContact O-N 3.14Å
294F96.3Very high95.3Very high59 Ų5951.8 Ų51.826%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-113151.9175.8-92.7-104.1000111.8L129 Y130 M145 S146L129-F294 VanDerWaalsContact O-CD1 3.3Å; L129-F294 WeakPolarHBondContact O-CD1 3.13Å; Y130-F294 HydrophobicContact CD2-CD2 4.42Å; Y130-F294 HydrophobicContact CD2-CE2 4.17Å; M145-F294 HydrophobicContact CG-CB 3.96Å; M145-F294 VanDerWaalsContact CG-O 3.29Å; M145-F294 WeakPolarHBondContact CG-O 3.19Å; M145-F294 PolarHBondContact N-O 3.29Å; M145-F294 HydrophobicContact SD-CB 4.03Å; S146-F294 PolarHBondContact OG-N 3.28Å
295M98.1Very high95.6Very high0 Ų050.1 Ų50.10%027%0.266CS..EExtended strand (participates in β ladder)trans-109.1146.3167.4-59.5-174.878.900110.5Y128 L129 P131 I134 R138 W142 E143 I144Y128-M295 CarbonylContact C-O 3.6Å; Y128-M295 VanDerWaalsContact CA-O 3.29Å; Y128-M295 WeakPolarHBondContact CA-O 3.42Å; L129-M295 HydrophobicContact CD1-CB 4.06Å; L129-M295 HydrophobicContact CD1-CG 4.34Å; L129-M295 HydrophobicContact CD1-SD 4.27Å; L129-M295 HydrophobicContact CG-CB 4.26Å; L129-M295 PolarHBondContact N-O 3.16Å; L129-M295 PolarHBondContact O-N 3.04Å; P131-M295 HydrophobicContact CB-CG 3.95Å; P131-M295 HydrophobicContact CB-SD 3.62Å; P131-M295 HydrophobicContact CG-CG 3.97Å; P131-M295 HydrophobicContact CG-SD 4.25Å; I134-M295 HydrophobicContact CB-SD 4.45Å; I134-M295 HydrophobicContact CG1-SD 4.27Å; I134-M295 HydrophobicContact CG2-CE 4.07Å; I134-M295 HydrophobicContact CG2-SD 4.21Å; R138-M295 HydrophobicContact CB-CE 4.34Å; W142-M295 HydrophobicContact CB-CB 4.06Å; W142-M295 HydrophobicContact CB-CE 3.83Å; W142-M295 HydrophobicContact CB-SD 4.33Å; W142-M295 HydrophobicContact CG-CB 4.43Å; W142-M295 VanDerWaalsContact O-CE 3.32Å; W142-M295 WeakPolarHBondContact O-CE 3.42Å; E143-M295 CarbonylContact O-C 3.59Å; E143-M295 WeakPolarHBondContact O-CA 3.43Å; E143-M295 VanDerWaalsContact O-CB 3.29Å; E143-M295 WeakPolarHBondContact O-CB 3.3Å; I144-M295 HydrophobicContact CG1-CG 4.36Å
296A98.6Very high95.6Very high20 Ų2047.7 Ų47.717%0.16526%0.258CS..EExtended strand (participates in β ladder)trans-118.1158.1172.600000112I126 S127 Y128 W142 E143 M145I126-A296 HydrophobicContact CD1-CB 4.44Å; S127-A296 CarbonylContact O-C 3.6Å; S127-A296 VanDerWaalsContact O-CA 3.3Å; S127-A296 WeakPolarHBondContact O-CA 3.19Å; Y128-A296 HydrophobicContact CD1-CB 3.64Å; Y128-A296 HydrophobicContact CE1-CB 3.53Å; W142-A296 CarbonylContact C-O 3.57Å; W142-A296 WeakPolarHBondContact CA-O 3.26Å; E143-A296 PolarHBondContact N-O 3.1Å; E143-A296 PolarHBondContact O-N 3.5Å; M145-A296 HydrophobicContact CB-CB 3.72Å; M145-A296 HydrophobicContact CG-CB 3.96Å; M145-A296 HydrophobicContact SD-CB 3.8Å
297R98.5Very high95.7Very high10 Ų1049.6 Ų49.64%0.03827%0.266CS..EExtended strand (participates in β ladder)trans-147.9134.7172.4172170.4172.280.8-3.8110.1I126 S127 K140 G141 W142 D323I126-R297 CarbonylContact C-O 3.6Å; I126-R297 WeakPolarHBondContact CA-O 3.46Å; I126-R297 WeakPolarHBondContact CG1-O 3.17Å; S127-R297 PolarHBondContact N-O 3.1Å; S127-R297 PolarHBondContact O-N 3.14Å; K140-R297 PolarHBondContact O-NE 3.17Å; K140-R297 PolarHBondContact O-NH1 2.78Å; G141-R297 VanDerWaalsContact C-NH1 3.34Å; G141-R297 WeakPolarHBondContact O-CD 2.86Å; G141-R297 VanDerWaalsContact O-CG 3.31Å; G141-R297 WeakPolarHBondContact O-CG 3.29Å; G141-R297 PolarHBondContact O-NH1 3.22Å; W142-R297 HydrophobicContact CB-CB 4.42Å; W142-R297 HydrophobicContact CD2-CB 3.7Å; W142-R297 HydrophobicContact CD2-CG 4.27Å; W142-R297 HydrophobicContact CE3-CB 4.39Å; W142-R297 HydrophobicContact CG-CB 3.69Å; W142-R297 HydrophobicContact CZ2-CB 4.27Å; R297-D323 IonicContact CZ-OD1 3.35Å; R297-D323 IonicContact CZ-OD2 2.67Å; R297-D323 IonicContact NH1-OD1 3.9Å; R297-D323 IonicContact NH1-OD2 2.65Å; R297-D323 PolarHBondContact NH1-OD2 3.24Å; R297-D323 IonicContact NH2-OD1 2.89Å; R297-D323 PolarHBondContact NH2-OD1 3.29Å; R297-D323 IonicContact NH2-OD2 3.09Å; R297-D323 PolarHBondContact NH2-OD2 3.01Å
298I98.7Very high96Very high62 Ų6247.4 Ų47.432%0.31825%0.246SC..EExtended strand (participates in β ladder)trans-72.6128.6167.7-62.3171.6000108.7V301 F304I298-V301 HydrophobicContact CG2-CB 4.48Å; I298-V301 HydrophobicContact CG2-CG2 3.97Å; I298-F304 HydrophobicContact CD1-CD1 3.86Å; I298-F304 HydrophobicContact CD1-CE1 4Å; I298-F304 HydrophobicContact CD1-CG 4.46Å; I298-F304 HydrophobicContact CG1-CD1 4.11Å; I298-F304 HydrophobicContact CG1-CE1 4.23Å; I298-F304 HydrophobicContact CG1-CG 4.27Å; I298-F304 HydrophobicContact CG2-CB 3.8Å; I298-F304 HydrophobicContact CG2-CD1 4.42Å; I298-F304 HydrophobicContact CG2-CG 4.04Å
299V98.7Very high95.9Very high0 Ų047.4 Ų47.40%025%0.25CC..SBendtrans-87.6-46.8-178.9176.70000110.9L116 M119 R120 Q124 W125 W328 N329L116-V299 HydrophobicContact CD2-CG1 4.42Å; L116-V299 HydrophobicContact CD2-CG2 4.16Å; M119-V299 HydrophobicContact CB-CG1 3.81Å; M119-V299 HydrophobicContact CB-CG2 4.21Å; M119-V299 HydrophobicContact SD-CG2 4Å; R120-V299 HydrophobicContact CB-CG1 4.12Å; Q124-V299 WeakPolarHBondContact O-CB 3.24Å; Q124-V299 WeakPolarHBondContact O-CG1 3.43Å; Q124-V299 VanDerWaalsContact O-CG2 3.3Å; Q124-V299 WeakPolarHBondContact O-CG2 3.38Å; W125-V299 PolarHBondContact O-N 3.27Å; V299-W328 PolarHBondContact O-NE1 3.38Å; V299-N329 PolarHBondContact O-ND2 3.05Å; V299-N329 PolarHBondContact O-OD1 3.08Å
300D98.5Very high95.7Very high5 Ų546.4 Ų46.43%0.02724%0.238CC..  trans-129.7112.7172.3-169-49.1000109.3R120 W125 K302 E303 F304 N329R120-D300 HydrophobicContact CG-CB 4.42Å; R120-D300 IonicContact CZ-OD2 3.78Å; R120-D300 IonicContact NE-OD2 3.97Å; R120-D300 PolarHBondContact NE-OD2 2.86Å; R120-D300 IonicContact NH2-OD2 3.25Å; R120-D300 PolarHBondContact NH2-OD2 2.84Å; W125-D300 HydrophobicContact CE3-CB 3.7Å; W125-D300 HydrophobicContact CZ3-CB 3.95Å; D300-K302 PolarHBondContact O-N 3.48Å; D300-K302 PolarHBondContact OD1-N 3.04Å; D300-E303 HydrophobicContact CB-CB 4.25Å; D300-E303 HydrophobicContact CB-CG 4.36Å; D300-E303 PolarHBondContact OD1-N 3.1Å; D300-F304 WeakPolarHBondContact O-CB 3.16Å; D300-F304 PolarHBondContact O-N 3.01Å; D300-N329 WeakPolarHBondContact CA-OD1 3.35Å
301V98.3Very high95.2Very high12 Ų1250 Ų507%0.07325%0.253CS..Hα-helixtrans-61.8-42.2-175.8169.30000111.9I298 L305 V321 N329 F333I298-V301 HydrophobicContact CG2-CB 4.48Å; I298-V301 HydrophobicContact CG2-CG2 3.97Å; V301-L305 HydrophobicContact CG1-CD1 3.59Å; V301-L305 HydrophobicContact CG1-CG 4.36Å; V301-L305 VanDerWaalsContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 WeakPolarHBondContact O-CD1 3.47Å; V301-L305 WeakPolarHBondContact O-CG 2.98Å; V301-L305 PolarHBondContact O-N 3.42Å; V301-V321 HydrophobicContact CG1-CG2 4.35Å; V301-V321 HydrophobicContact CG2-CG1 4.23Å; V301-N329 HydrophobicContact CG2-CB 3.85Å; V301-N329 PolarHBondContact N-OD1 2.82Å; V301-F333 HydrophobicContact CB-CE1 4.14Å; V301-F333 HydrophobicContact CB-CE2 4.19Å; V301-F333 HydrophobicContact CB-CZ 3.95Å; V301-F333 HydrophobicContact CG1-CD1 3.95Å; V301-F333 HydrophobicContact CG1-CD2 3.77Å; V301-F333 HydrophobicContact CG1-CE1 4.02Å; V301-F333 HydrophobicContact CG1-CE2 3.85Å; V301-F333 HydrophobicContact CG1-CG 3.83Å; V301-F333 HydrophobicContact CG1-CZ 3.97Å
302K96.2Very high94.4Very high106 Ų10654.9 Ų54.946%0.46127%0.266SS..Hα-helixtrans-67.3-52.6-176.6179.3-174.2163.3-117.10110.4D300 F304 L305 L306 F333D300-K302 PolarHBondContact O-N 3.48Å; D300-K302 PolarHBondContact OD1-N 3.04Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 PolarHBondContact O-N 3.27Å; K302-L305 PolarHBondContact O-N 3.12Å; K302-L306 HydrophobicContact CG-CD1 4.18Å; K302-L306 WeakPolarHBondContact O-CG 3.45Å; K302-L306 PolarHBondContact O-N 2.89Å; K302-F333 HydrophobicContact CB-CD1 4.11Å; K302-F333 HydrophobicContact CB-CE1 3.88Å
303E97.5Very high93.7Very high53 Ų5354.3 Ų54.325%0.24826%0.263CS..Hα-helixtrans-68.1-36.2-175.8-55.4-58139.800110.7W125 D300 E307W125-E303 HydrophobicContact CD2-CB 3.62Å; W125-E303 HydrophobicContact CE3-CB 3.86Å; W125-E303 HydrophobicContact CE3-CG 4.42Å; W125-E303 HydrophobicContact CG-CB 4.16Å; W125-E303 HydrophobicContact CH2-CB 4Å; W125-E303 HydrophobicContact CH2-CG 3.9Å; W125-E303 HydrophobicContact CZ2-CB 3.77Å; W125-E303 HydrophobicContact CZ2-CG 4.02Å; W125-E303 HydrophobicContact CZ3-CB 4.04Å; W125-E303 HydrophobicContact CZ3-CG 4.11Å; D300-E303 HydrophobicContact CB-CB 4.25Å; D300-E303 HydrophobicContact CB-CG 4.36Å; D300-E303 PolarHBondContact OD1-N 3.1Å; E303-E307 PolarHBondContact O-N 2.89Å
304F98.1Very high92.9Very high13 Ų1356 Ų566%0.05728%0.277CS..Hα-helixtrans-60.4-47.6171.7-175.2-94.2000112.7I83 F88 W125 I126 I298 D300 K302 E307 Y308I83-F304 HydrophobicContact CD1-CE2 3.61Å; I83-F304 HydrophobicContact CD1-CZ 3.94Å; I83-F304 HydrophobicContact CG2-CZ 4.45Å; F88-F304 HydrophobicContact CD1-CD2 4.06Å; F88-F304 HydrophobicContact CD1-CE2 4.14Å; F88-F304 AromaticContact CE1-CD2 3.68Å; F88-F304 HydrophobicContact CE1-CD2 3.68Å; F88-F304 AromaticContact CE1-CE2 3.9Å; F88-F304 HydrophobicContact CE1-CE2 3.9Å; F88-F304 HydrophobicContact CE1-CG 4.42Å; F88-F304 HydrophobicContact CZ-CD2 4.42Å; F88-F304 HydrophobicContact CZ-CE2 4.33Å; W125-F304 HydrophobicContact CB-CB 4.13Å; W125-F304 HydrophobicContact CB-CD2 4.19Å; I126-F304 HydrophobicContact CB-CD2 4.34Å; I126-F304 HydrophobicContact CB-CE2 4.09Å; I126-F304 HydrophobicContact CD1-CE2 3.78Å; I126-F304 HydrophobicContact CD1-CZ 4.18Å; I126-F304 HydrophobicContact CG1-CE2 4.4Å; I298-F304 HydrophobicContact CD1-CD1 3.86Å; I298-F304 HydrophobicContact CD1-CE1 4Å; I298-F304 HydrophobicContact CD1-CG 4.46Å; I298-F304 HydrophobicContact CG1-CD1 4.11Å; I298-F304 HydrophobicContact CG1-CE1 4.23Å; I298-F304 HydrophobicContact CG1-CG 4.27Å; I298-F304 HydrophobicContact CG2-CB 3.8Å; I298-F304 HydrophobicContact CG2-CD1 4.42Å; I298-F304 HydrophobicContact CG2-CG 4.04Å; D300-F304 WeakPolarHBondContact O-CB 3.16Å; D300-F304 PolarHBondContact O-N 3.01Å; K302-F304 VanDerWaalsContact C-N 3.32Å; K302-F304 PolarHBondContact O-N 3.27Å; F304-E307 PolarHBondContact O-N 3.44Å; F304-Y308 HydrophobicContact CD1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CD2 3.42Å; F304-Y308 HydrophobicContact CE1-CD2 3.42Å; F304-Y308 VanDerWaalsContact CE1-CD2 3.42Å; F304-Y308 AromaticContact CE1-CE2 3.94Å; F304-Y308 HydrophobicContact CE1-CE2 3.94Å; F304-Y308 HydrophobicContact CE1-CG 4.36Å; F304-Y308 AromaticContact CZ-CD2 3.71Å; F304-Y308 HydrophobicContact CZ-CD2 3.71Å; F304-Y308 HydrophobicContact CZ-CE2 4.08Å; F304-Y308 WeakPolarHBondContact O-CB 3.26Å; F304-Y308 PolarHBondContact O-N 3.22Å
305L95.8Very high91.8Very high30 Ų3061.8 Ų61.816%0.15731%0.305CS..Hα-helixtrans-70.8-33.5-177.8-70.6170.3000113V301 K302 E307 Y308 F310 F319 L335V301-L305 HydrophobicContact CG1-CD1 3.59Å; V301-L305 HydrophobicContact CG1-CG 4.36Å; V301-L305 VanDerWaalsContact O-CB 3.32Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 WeakPolarHBondContact O-CD1 3.47Å; V301-L305 WeakPolarHBondContact O-CG 2.98Å; V301-L305 PolarHBondContact O-N 3.42Å; K302-L305 PolarHBondContact O-N 3.12Å; L305-E307 PolarHBondContact O-N 2.97Å; L305-Y308 PolarHBondContact O-N 2.86Å; L305-F310 HydrophobicContact CD2-CZ 3.98Å; L305-F310 WeakPolarHBondContact O-CE2 3.19Å; L305-F319 HydrophobicContact CD1-CD2 4.08Å; L305-F319 HydrophobicContact CD1-CE2 4.25Å; L305-F319 HydrophobicContact CD2-CE2 4.26Å; L305-L335 HydrophobicContact CD1-CD1 4.17Å; L305-L335 HydrophobicContact CD2-CD2 4.37Å
306L91.9Very high91Very high120 Ų12067.8 Ų67.863%0.62834%0.337SS*.Hα-helixtrans-60.8-32.9173-76.9173000111.8K302K302-L306 HydrophobicContact CG-CD1 4.18Å; K302-L306 WeakPolarHBondContact O-CG 3.45Å; K302-L306 PolarHBondContact O-N 2.89Å
307E92.5Very high90.4Very high65 Ų6570.2 Ų70.230%0.30434%0.343SS..Hα-helixtrans-90.8-21.8-179.6-72.9-151.5-128.700113.9K86 F88 W125 E303 F304 L305K86-E307 WeakPolarHBondContact CD-O 3.39Å; K86-E307 WeakPolarHBondContact CE-O 3.41Å; K86-E307 WeakPolarHBondContact CE-OE2 3.46Å; K86-E307 VanDerWaalsContact NZ-CA 3.25Å; K86-E307 PolarHBondContact NZ-O 2.76Å; K86-E307 IonicContact NZ-OE2 3.73Å; K86-E307 PolarHBondContact NZ-OE2 2.91Å; F88-E307 HydrophobicContact CE1-CB 3.68Å; F88-E307 HydrophobicContact CZ-CB 3.53Å; W125-E307 PolarHBondContact NE1-OE1 2.86Å; E303-E307 PolarHBondContact O-N 2.89Å; F304-E307 PolarHBondContact O-N 3.44Å; L305-E307 PolarHBondContact O-N 2.97Å
308Y95.2Very high90.1Very high65 Ų6577.6 Ų77.626%0.25537%0.372SS..  trans-60.3128.2-171-168.7-92.4000112.7I83 H84 F304 L305 F310I83-Y308 HydrophobicContact CG2-CD2 4.22Å; I83-Y308 HydrophobicContact CG2-CE2 3.88Å; H84-Y308 AromaticContact CD2-CZ 3.82Å; H84-Y308 PolarHBondContact CD2-OH 3.29Å; H84-Y308 PolarHBondContact NE2-OH 3.22Å; F304-Y308 HydrophobicContact CD1-CD2 4.29Å; F304-Y308 AromaticContact CE1-CD2 3.42Å; F304-Y308 HydrophobicContact CE1-CD2 3.42Å; F304-Y308 VanDerWaalsContact CE1-CD2 3.42Å; F304-Y308 AromaticContact CE1-CE2 3.94Å; F304-Y308 HydrophobicContact CE1-CE2 3.94Å; F304-Y308 HydrophobicContact CE1-CG 4.36Å; F304-Y308 AromaticContact CZ-CD2 3.71Å; F304-Y308 HydrophobicContact CZ-CD2 3.71Å; F304-Y308 HydrophobicContact CZ-CE2 4.08Å; F304-Y308 WeakPolarHBondContact O-CB 3.26Å; F304-Y308 PolarHBondContact O-N 3.22Å; L305-Y308 PolarHBondContact O-N 2.86Å; Y308-F310 VanDerWaalsContact C-N 3.35Å; Y308-F310 AromaticContact CD1-CD1 3.78Å; Y308-F310 HydrophobicContact CD1-CD1 3.78Å; Y308-F310 HydrophobicContact CD1-CD2 4.06Å; Y308-F310 AromaticContact CD1-CE1 3.69Å; Y308-F310 HydrophobicContact CD1-CE1 3.69Å; Y308-F310 AromaticContact CD1-CE2 3.98Å; Y308-F310 HydrophobicContact CD1-CE2 3.98Å; Y308-F310 AromaticContact CD1-CG 3.95Å; Y308-F310 HydrophobicContact CD1-CG 3.95Å; Y308-F310 AromaticContact CD1-CZ 3.77Å; Y308-F310 HydrophobicContact CD1-CZ 3.77Å; Y308-F310 HydrophobicContact CE1-CD1 4.14Å; Y308-F310 HydrophobicContact CE1-CE1 4.18Å; Y308-F310 HydrophobicContact CG-CE2 4.4Å; Y308-F310 HydrophobicContact CG-CZ 4.27Å; Y308-F310 WeakPolarHBondContact O-CD2 3.44Å; Y308-F310 PolarHBondContact O-N 3.14Å
309P90.4Very high89.9Confident44 Ų4478.7 Ų78.729%0.28638%0.375SS..  trans-80.379.3-177.933.7-36.2000111.1I83 H84 K86 E311I83-P309 WeakPolarHBondContact O-CG 3.47Å; H84-P309 HydrophobicContact CB-CG 3.87Å; K86-P309 HydrophobicContact CB-CB 4.32Å; K86-P309 HydrophobicContact CB-CG 3.91Å; P309-E311 PolarHBondContact O-N 3.34Å
310F88.9Confident89.8Confident68 Ų6886.6 Ų86.630%0.29841%0.412SS..  trans-59.1131.3174.9-64.7-82.3000111L305 Y308 K312 L335 W337L305-F310 HydrophobicContact CD2-CZ 3.98Å; L305-F310 WeakPolarHBondContact O-CE2 3.19Å; Y308-F310 VanDerWaalsContact C-N 3.35Å; Y308-F310 AromaticContact CD1-CD1 3.78Å; Y308-F310 HydrophobicContact CD1-CD1 3.78Å; Y308-F310 HydrophobicContact CD1-CD2 4.06Å; Y308-F310 AromaticContact CD1-CE1 3.69Å; Y308-F310 HydrophobicContact CD1-CE1 3.69Å; Y308-F310 AromaticContact CD1-CE2 3.98Å; Y308-F310 HydrophobicContact CD1-CE2 3.98Å; Y308-F310 AromaticContact CD1-CG 3.95Å; Y308-F310 HydrophobicContact CD1-CG 3.95Å; Y308-F310 AromaticContact CD1-CZ 3.77Å; Y308-F310 HydrophobicContact CD1-CZ 3.77Å; Y308-F310 HydrophobicContact CE1-CD1 4.14Å; Y308-F310 HydrophobicContact CE1-CE1 4.18Å; Y308-F310 HydrophobicContact CG-CE2 4.4Å; Y308-F310 HydrophobicContact CG-CZ 4.27Å; Y308-F310 WeakPolarHBondContact O-CD2 3.44Å; Y308-F310 PolarHBondContact O-N 3.14Å; F310-K312 VanDerWaalsContact C-N 3.27Å; F310-K312 PolarHBondContact O-N 3.06Å; F310-L335 HydrophobicContact CE1-CD2 3.84Å; F310-L335 HydrophobicContact CE2-CD2 3.97Å; F310-L335 HydrophobicContact CZ-CD2 3.31Å; F310-W337 HydrophobicContact CB-CZ2 4.28Å; F310-W337 HydrophobicContact CD1-CZ2 4.01Å; F310-W337 HydrophobicContact CD2-CZ2 4.12Å; F310-W337 HydrophobicContact CE1-CZ2 4.42Å; F310-W337 AromaticContact CG-CZ2 3.86Å; F310-W337 HydrophobicContact CG-CZ2 3.86Å
311E83.4Confident89.8Confident172 Ų17288.2 Ų88.280%0.80442%0.422SS*.SBendtrans-64.1-34.7179.4-168.5-166.6141.900112P309P309-E311 PolarHBondContact O-N 3.34Å
312K78.6Confident89.8Confident145 Ų14596.2 Ų96.263%0.6346%0.458SS*.SBendtrans-146.2144.1-176.5-61.9177.3-173.6158.80110.6F310F310-K312 VanDerWaalsContact C-N 3.27Å; F310-K312 PolarHBondContact O-N 3.06Å
313S78.5Confident89.9Confident47 Ų4791.9 Ų91.933%0.32944%0.441SS..  trans-71.1141.8165.2-49.80000110.7W337 D339S313-W337 VanDerWaalsContact OG-CD1 3.29Å; S313-D339 WeakPolarHBondContact CB-OD1 3.01Å; S313-D339 WeakPolarHBondContact CB-OD2 3.15Å; S313-D339 PolarHBondContact OG-OD1 3.26Å; S313-D339 PolarHBondContact OG-OD2 3.12Å
314V77.3Confident89.9Confident81 Ų8193.1 Ų93.149%0.49145%0.453SS..  trans-134.7173.9178.2-62.30000110.8F317 W337V314-F317 HydrophobicContact CG2-CD1 3.9Å; V314-F317 HydrophobicContact CG2-CE1 3.62Å; V314-W337 HydrophobicContact CB-CZ3 4.39Å; V314-W337 HydrophobicContact CG2-CE3 4.32Å; V314-W337 HydrophobicContact CG2-CH2 3.47Å; V314-W337 VanDerWaalsContact CG2-CH2 3.47Å; V314-W337 HydrophobicContact CG2-CZ2 4.36Å; V314-W337 HydrophobicContact CG2-CZ3 3.42Å; V314-W337 VanDerWaalsContact CG2-CZ3 3.42Å; V314-W337 WeakPolarHBondContact O-CZ3 3.43Å
315E74.8Confident89.8Confident180 Ų18092.9 Ų92.984%0.84145%0.453SS*.SBendtrans-58.6150174.4-65-176.4171.900111.4F317E315-F317 WeakPolarHBondContact O-CD1 3.46Å; E315-F317 PolarHBondContact O-N 3.05Å
316L81.3Confident89.9Confident126 Ų12691.4 Ų91.466%0.6645%0.445SS*.  trans-50.3124.4176.9175.279.5000110.7A334 L335L316-A334 HydrophobicContact CD1-CB 4.27Å; L316-L335 WeakPolarHBondContact CA-O 3.15Å; L316-L335 WeakPolarHBondContact CD1-O 3.32Å
317F86.2Confident90.1Very high70 Ų7092 Ų9231%0.30744%0.444SS..EExtended strand (participates in β ladder)trans-139.3171.1169.672.1-91.5000110.7V314 E315 F319 A334 L335 W337V314-F317 HydrophobicContact CG2-CD1 3.9Å; V314-F317 HydrophobicContact CG2-CE1 3.62Å; E315-F317 WeakPolarHBondContact O-CD1 3.46Å; E315-F317 PolarHBondContact O-N 3.05Å; F317-F319 HydrophobicContact CE2-CD1 4.33Å; F317-F319 HydrophobicContact CE2-CD2 4.08Å; F317-F319 AromaticContact CE2-CE1 3.85Å; F317-F319 HydrophobicContact CE2-CE1 3.85Å; F317-F319 AromaticContact CE2-CE2 3.56Å; F317-F319 HydrophobicContact CE2-CE2 3.56Å; F317-F319 HydrophobicContact CE2-CG 4.44Å; F317-F319 AromaticContact CE2-CZ 3.44Å; F317-F319 HydrophobicContact CE2-CZ 3.44Å; F317-F319 VanDerWaalsContact CE2-CZ 3.44Å; F317-F319 HydrophobicContact CZ-CE2 4.03Å; F317-F319 AromaticContact CZ-CZ 3.91Å; F317-F319 HydrophobicContact CZ-CZ 3.91Å; F317-A334 WeakPolarHBondContact O-CA 3.43Å; F317-L335 HydrophobicContact CE1-CB 4.36Å; F317-L335 HydrophobicContact CE2-CD1 4.21Å; F317-L335 HydrophobicContact CZ-CB 4.28Å; F317-L335 HydrophobicContact CZ-CD1 4.41Å; F317-L335 HydrophobicContact CZ-CD2 4.15Å; F317-L335 PolarHBondContact N-O 3.33Å; F317-L335 PolarHBondContact O-N 3.31Å; F317-W337 HydrophobicContact CD1-CZ3 4.49Å; F317-W337 AromaticContact CE1-CH2 3.73Å; F317-W337 HydrophobicContact CE1-CH2 3.73Å; F317-W337 HydrophobicContact CE1-CZ3 4.13Å; F317-W337 HydrophobicContact CZ-CH2 4.44Å
318Y91.6Very high90.4Very high165 Ų16591.5 Ų91.565%0.64744%0.44SS*.EExtended strand (participates in β ladder)trans-128143-179.553.6-92.1000111.9I332 F333Y318-I332 HydrophobicContact CD2-CG2 4.33Å; Y318-I332 HydrophobicContact CG-CG2 4.28Å; Y318-F333 CarbonylContact C-O 3.6Å; Y318-F333 VanDerWaalsContact CA-O 3.27Å; Y318-F333 WeakPolarHBondContact CA-O 3.33Å
319F94.6Very high90.6Very high86 Ų8688.4 Ų88.438%0.37743%0.428SS..EExtended strand (participates in β ladder)trans-94.8129.5163-64.4-69.7000109.3L305 F317 V321 I332 F333 L335L305-F319 HydrophobicContact CD1-CD2 4.08Å; L305-F319 HydrophobicContact CD1-CE2 4.25Å; L305-F319 HydrophobicContact CD2-CE2 4.26Å; F317-F319 HydrophobicContact CE2-CD1 4.33Å; F317-F319 HydrophobicContact CE2-CD2 4.08Å; F317-F319 AromaticContact CE2-CE1 3.85Å; F317-F319 HydrophobicContact CE2-CE1 3.85Å; F317-F319 AromaticContact CE2-CE2 3.56Å; F317-F319 HydrophobicContact CE2-CE2 3.56Å; F317-F319 HydrophobicContact CE2-CG 4.44Å; F317-F319 AromaticContact CE2-CZ 3.44Å; F317-F319 HydrophobicContact CE2-CZ 3.44Å; F317-F319 VanDerWaalsContact CE2-CZ 3.44Å; F317-F319 HydrophobicContact CZ-CE2 4.03Å; F317-F319 AromaticContact CZ-CZ 3.91Å; F317-F319 HydrophobicContact CZ-CZ 3.91Å; F319-V321 HydrophobicContact CB-CG2 3.87Å; F319-I332 CarbonylContact O-C 3.37Å; F319-I332 VanDerWaalsContact O-CA 3.3Å; F319-I332 WeakPolarHBondContact O-CA 3.48Å; F319-F333 PolarHBondContact N-O 2.73Å; F319-F333 PolarHBondContact O-N 3.41Å; F319-L335 HydrophobicContact CD2-CD1 3.29Å; F319-L335 HydrophobicContact CE2-CD1 3.36Å; F319-L335 HydrophobicContact CE2-CD2 4.01Å; F319-L335 HydrophobicContact CE2-CG 4.35Å
320E97.1Very high90.9Very high165 Ų16589.5 Ų89.577%0.77143%0.431SS*.EExtended strand (participates in β ladder)trans-95.2113.6161-176.3174.6-165.600107.3
321V97.9Very high91.2Very high39 Ų3987.9 Ų87.924%0.23643%0.433CS..EExtended strand (participates in β ladder)trans-111.6130.5-173.1-177.70000110.1V301 F319 N329 N330 G331 F333V301-V321 HydrophobicContact CG1-CG2 4.35Å; V301-V321 HydrophobicContact CG2-CG1 4.23Å; F319-V321 HydrophobicContact CB-CG2 3.87Å; V321-N329 WeakPolarHBondContact CB-O 3.47Å; V321-N329 WeakPolarHBondContact CG1-O 3.38Å; V321-N330 WeakPolarHBondContact O-CA 3.42Å; V321-G331 PolarHBondContact N-O 2.89Å; V321-G331 PolarHBondContact O-N 3.2Å; V321-G331 VanDerWaalsContact O-N 3.12Å; V321-F333 HydrophobicContact CB-CD2 4.29Å; V321-F333 HydrophobicContact CB-CE2 4.06Å; V321-F333 HydrophobicContact CG2-CD2 3.87Å; V321-F333 HydrophobicContact CG2-CE2 4.1Å
322E98.1Very high91.7Very high180 Ų18085.4 Ų85.484%0.84142%0.424SS*.  trans-111.7124.8169-172.5-178.9171.600109N330E322-N330 WeakPolarHBondContact CA-OD1 3.42Å
323D98.1Very high92.3Very high16 Ų1680.1 Ų80.19%0.08640%0.401CS..  trans-126119.7178.8-171-47.4000110.7R297 V325 A326 N329 N330R297-D323 IonicContact CZ-OD1 3.35Å; R297-D323 IonicContact CZ-OD2 2.67Å; R297-D323 IonicContact NH1-OD1 3.9Å; R297-D323 IonicContact NH1-OD2 2.65Å; R297-D323 PolarHBondContact NH1-OD2 3.24Å; R297-D323 IonicContact NH2-OD1 2.89Å; R297-D323 PolarHBondContact NH2-OD1 3.29Å; R297-D323 IonicContact NH2-OD2 3.09Å; R297-D323 PolarHBondContact NH2-OD2 3.01Å; D323-V325 PolarHBondContact O-N 3.23Å; D323-V325 PolarHBondContact OD1-N 3.09Å; D323-A326 PolarHBondContact OD1-N 3.49Å; D323-N329 HydrophobicContact CB-CB 3.68Å; D323-N329 PolarHBondContact OD2-ND2 2.79Å; D323-N329 VanDerWaalsContact OD2-ND2 3.08Å; D323-N330 PolarHBondContact N-OD1 3.37Å; D323-N330 PolarHBondContact O-ND2 3.15Å; D323-N330 PolarHBondContact O-OD1 2.58Å
324P96.8Very high92.7Very high78 Ų7881.4 Ų81.451%0.50642%0.415SS..SBendtrans-73.9-6.1-173.429.8-36.1000114.9
325V97.2Very high93.2Very high8 Ų878.2 Ų78.25%0.04840%0.395CS..SBendtrans-131.9-47.8-175.9-170.60000112.7I112 K113 L116 K140 D323 E327I112-V325 HydrophobicContact CG2-CG1 4.25Å; K113-V325 HydrophobicContact CB-CG1 3.97Å; K113-V325 HydrophobicContact CG-CG1 4.4Å; L116-V325 HydrophobicContact CD1-CB 3.99Å; L116-V325 HydrophobicContact CD1-CG1 3.64Å; K140-V325 HydrophobicContact CB-CG2 4.11Å; K140-V325 HydrophobicContact CD-CG2 3.83Å; D323-V325 PolarHBondContact O-N 3.23Å; D323-V325 PolarHBondContact OD1-N 3.09Å; V325-E327 PolarHBondContact O-N 3.11Å
326A97.5Very high93.5Very high0 Ų073.5 Ų73.50%038%0.382CS..  trans-91.892.3-176.600000110.1D323 W328 N329 N330D323-A326 PolarHBondContact OD1-N 3.49Å; A326-W328 HydrophobicContact CB-CD2 4.07Å; A326-W328 HydrophobicContact CB-CH2 4.06Å; A326-W328 HydrophobicContact CB-CZ2 3.56Å; A326-W328 PolarHBondContact O-N 2.98Å; A326-W328 VanDerWaalsContact O-N 3.1Å; A326-N329 HydrophobicContact CB-CB 4.43Å; A326-N329 WeakPolarHBondContact CB-ND2 3.41Å; A326-N329 WeakPolarHBondContact O-CB 3.39Å; A326-N329 PolarHBondContact O-N 3.17Å; A326-N330 PolarHBondContact O-ND2 2.92Å
327E97Very high93.2Very high131 Ų13170.4 Ų70.461%0.61236%0.362SS*.G310 helixtrans-54.3-33.3-176.8-71.8162.8-149.900112.9K113 V325 N329 N330K113-E327 IonicContact NZ-OE1 3.88Å; K113-E327 PolarHBondContact NZ-OE1 3.29Å; V325-E327 PolarHBondContact O-N 3.11Å; E327-N329 PolarHBondContact O-N 3.45Å; E327-N330 WeakPolarHBondContact O-CB 3.46Å; E327-N330 PolarHBondContact O-N 2.94Å; E327-N330 VanDerWaalsContact O-N 3.1Å; E327-N330 PolarHBondContact O-ND2 3.23Å
328W98.1Very high92.3Very high55 Ų5572.3 Ų72.321%0.20838%0.375CS..G310 helixtrans-68.8-15.4178.857.984.1000114.8L116 V117 R120 V299 A326L116-W328 HydrophobicContact CB-CH2 4.08Å; L116-W328 HydrophobicContact CB-CZ2 4.06Å; V117-W328 HydrophobicContact CB-CH2 4.4Å; V117-W328 HydrophobicContact CG2-CH2 3.6Å; V117-W328 HydrophobicContact CG2-CZ3 3.69Å; R120-W328 HydrophobicContact CB-CZ2 4.45Å; R120-W328 VanDerWaalsContact CZ-CG 3.46Å; R120-W328 VanDerWaalsContact NH1-CB 3.29Å; R120-W328 VanDerWaalsContact NH1-CG 3.25Å; V299-W328 PolarHBondContact O-NE1 3.38Å; A326-W328 HydrophobicContact CB-CD2 4.07Å; A326-W328 HydrophobicContact CB-CH2 4.06Å; A326-W328 HydrophobicContact CB-CZ2 3.56Å; A326-W328 PolarHBondContact O-N 2.98Å; A326-W328 VanDerWaalsContact O-N 3.1Å
329N98.3Very high91.1Very high1 Ų166.9 Ų66.91%0.00536%0.357CS..G310 helixtrans-86.7-9.6173.4-69.8-21.7000112.5V299 D300 V301 V321 D323 A326 E327 F333V299-N329 PolarHBondContact O-ND2 3.05Å; V299-N329 PolarHBondContact O-OD1 3.08Å; D300-N329 WeakPolarHBondContact CA-OD1 3.35Å; V301-N329 HydrophobicContact CG2-CB 3.85Å; V301-N329 PolarHBondContact N-OD1 2.82Å; V321-N329 WeakPolarHBondContact CB-O 3.47Å; V321-N329 WeakPolarHBondContact CG1-O 3.38Å; D323-N329 HydrophobicContact CB-CB 3.68Å; D323-N329 PolarHBondContact OD2-ND2 2.79Å; D323-N329 VanDerWaalsContact OD2-ND2 3.08Å; A326-N329 HydrophobicContact CB-CB 4.43Å; A326-N329 WeakPolarHBondContact CB-ND2 3.41Å; A326-N329 WeakPolarHBondContact O-CB 3.39Å; A326-N329 PolarHBondContact O-N 3.17Å; E327-N329 PolarHBondContact O-N 3.45Å; N329-F333 VanDerWaalsContact O-CE2 3.29Å; N329-F333 WeakPolarHBondContact O-CE2 3.11Å
330N97.9Very high89.9Confident67 Ų6764.1 Ų64.136%0.35835%0.35SS..  trans-80.6128.5179.3-69.6-88.7000110.3V321 E322 D323 A326 E327V321-N330 WeakPolarHBondContact O-CA 3.42Å; E322-N330 WeakPolarHBondContact CA-OD1 3.42Å; D323-N330 PolarHBondContact N-OD1 3.37Å; D323-N330 PolarHBondContact O-ND2 3.15Å; D323-N330 PolarHBondContact O-OD1 2.58Å; A326-N330 PolarHBondContact O-ND2 2.92Å; E327-N330 WeakPolarHBondContact O-CB 3.46Å; E327-N330 PolarHBondContact O-N 2.94Å; E327-N330 VanDerWaalsContact O-N 3.1Å; E327-N330 PolarHBondContact O-ND2 3.23Å
331G94.6Very high89.1Confident33 Ų3357.3 Ų57.334%0.3432%0.32SS..EExtended strand (participates in β ladder)trans143.3-162.6177.100000113.6V321V321-G331 PolarHBondContact N-O 2.89Å; V321-G331 PolarHBondContact O-N 3.2Å; V321-G331 VanDerWaalsContact O-N 3.12Å
332I94.7Very high88Confident120 Ų12060.2 Ų60.262%0.61533%0.331SS*.EExtended strand (participates in β ladder)trans-108.4125.6-179.4-59176.1000109Y318 F319Y318-I332 HydrophobicContact CD2-CG2 4.33Å; Y318-I332 HydrophobicContact CG-CG2 4.28Å; F319-I332 CarbonylContact O-C 3.37Å; F319-I332 VanDerWaalsContact O-CA 3.3Å; F319-I332 WeakPolarHBondContact O-CA 3.48Å
333F91.1Very high87.2Confident34 Ų3455 Ų5515%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-115.2112.9176.4-58.5-94.9000108.9V301 K302 Y318 F319 V321 N329V301-F333 HydrophobicContact CB-CE1 4.14Å; V301-F333 HydrophobicContact CB-CE2 4.19Å; V301-F333 HydrophobicContact CB-CZ 3.95Å; V301-F333 HydrophobicContact CG1-CD1 3.95Å; V301-F333 HydrophobicContact CG1-CD2 3.77Å; V301-F333 HydrophobicContact CG1-CE1 4.02Å; V301-F333 HydrophobicContact CG1-CE2 3.85Å; V301-F333 HydrophobicContact CG1-CG 3.83Å; V301-F333 HydrophobicContact CG1-CZ 3.97Å; K302-F333 HydrophobicContact CB-CD1 4.11Å; K302-F333 HydrophobicContact CB-CE1 3.88Å; Y318-F333 CarbonylContact C-O 3.6Å; Y318-F333 VanDerWaalsContact CA-O 3.27Å; Y318-F333 WeakPolarHBondContact CA-O 3.33Å; F319-F333 PolarHBondContact N-O 2.73Å; F319-F333 PolarHBondContact O-N 3.41Å; V321-F333 HydrophobicContact CB-CD2 4.29Å; V321-F333 HydrophobicContact CB-CE2 4.06Å; V321-F333 HydrophobicContact CG2-CD2 3.87Å; V321-F333 HydrophobicContact CG2-CE2 4.1Å; N329-F333 VanDerWaalsContact O-CE2 3.29Å; N329-F333 WeakPolarHBondContact O-CE2 3.11Å
334A87.6Confident86.6Confident74 Ų7454.9 Ų54.961%0.61231%0.305SS*.EExtended strand (participates in β ladder)trans-88.6132.8175.700000110.4L316 F317L316-A334 HydrophobicContact CD1-CB 4.27Å; F317-A334 WeakPolarHBondContact O-CA 3.43Å
335L87.9Confident86Confident15 Ų1554.6 Ų54.68%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-109.6125.6176-76.284.5000110.1L305 F310 L316 F317 F319 W337L305-L335 HydrophobicContact CD1-CD1 4.17Å; L305-L335 HydrophobicContact CD2-CD2 4.37Å; F310-L335 HydrophobicContact CE1-CD2 3.84Å; F310-L335 HydrophobicContact CE2-CD2 3.97Å; F310-L335 HydrophobicContact CZ-CD2 3.31Å; L316-L335 WeakPolarHBondContact CA-O 3.15Å; L316-L335 WeakPolarHBondContact CD1-O 3.32Å; F317-L335 HydrophobicContact CE1-CB 4.36Å; F317-L335 HydrophobicContact CE2-CD1 4.21Å; F317-L335 HydrophobicContact CZ-CB 4.28Å; F317-L335 HydrophobicContact CZ-CD1 4.41Å; F317-L335 HydrophobicContact CZ-CD2 4.15Å; F317-L335 PolarHBondContact N-O 3.33Å; F317-L335 PolarHBondContact O-N 3.31Å; F319-L335 HydrophobicContact CD2-CD1 3.29Å; F319-L335 HydrophobicContact CE2-CD1 3.36Å; F319-L335 HydrophobicContact CE2-CD2 4.01Å; F319-L335 HydrophobicContact CE2-CG 4.35Å; L335-W337 HydrophobicContact CB-CH2 3.98Å; L335-W337 HydrophobicContact CB-CZ3 4.2Å; L335-W337 HydrophobicContact CD2-CH2 4.32Å
336S79.6Confident85.4Confident81 Ų8161.7 Ų61.757%0.56633%0.326SS*.  trans-140147.2175.757.30000109.7
337W75.1Confident84.7Confident61 Ų6164.1 Ų64.123%0.23134%0.339CS..  trans-109.2140.3175.9-65.4-102.2000109.8F310 S313 V314 F317 L335 D339F310-W337 HydrophobicContact CB-CZ2 4.28Å; F310-W337 HydrophobicContact CD1-CZ2 4.01Å; F310-W337 HydrophobicContact CD2-CZ2 4.12Å; F310-W337 HydrophobicContact CE1-CZ2 4.42Å; F310-W337 AromaticContact CG-CZ2 3.86Å; F310-W337 HydrophobicContact CG-CZ2 3.86Å; S313-W337 VanDerWaalsContact OG-CD1 3.29Å; V314-W337 HydrophobicContact CB-CZ3 4.39Å; V314-W337 HydrophobicContact CG2-CE3 4.32Å; V314-W337 HydrophobicContact CG2-CH2 3.47Å; V314-W337 VanDerWaalsContact CG2-CH2 3.47Å; V314-W337 HydrophobicContact CG2-CZ2 4.36Å; V314-W337 HydrophobicContact CG2-CZ3 3.42Å; V314-W337 VanDerWaalsContact CG2-CZ3 3.42Å; V314-W337 WeakPolarHBondContact O-CZ3 3.43Å; F317-W337 HydrophobicContact CD1-CZ3 4.49Å; F317-W337 AromaticContact CE1-CH2 3.73Å; F317-W337 HydrophobicContact CE1-CH2 3.73Å; F317-W337 HydrophobicContact CE1-CZ3 4.13Å; F317-W337 HydrophobicContact CZ-CH2 4.44Å; L335-W337 HydrophobicContact CB-CH2 3.98Å; L335-W337 HydrophobicContact CB-CZ3 4.2Å; L335-W337 HydrophobicContact CD2-CH2 4.32Å; W337-D339 WeakPolarHBondContact CB-OD1 3.28Å; W337-D339 PolarHBondContact O-N 3.01Å; W337-D339 VanDerWaalsContact O-N 3.1Å
338N66.7Low83.7Confident110 Ų11060.7 Ų60.759%0.58833%0.325SS*.  trans-85.246.9173.8-70.5-13000111A340 V341N338-A340 PolarHBondContact O-N 3.14Å; N338-V341 PolarHBondContact O-N 2.7Å
339D66.9Low82.6Confident50 Ų5063.6 Ų63.627%0.26735%0.353SS..Hα-helixtrans-54.3-31.7-173-83.32.1000114S313 W337 V341 E342 K343S313-D339 WeakPolarHBondContact CB-OD1 3.01Å; S313-D339 WeakPolarHBondContact CB-OD2 3.15Å; S313-D339 PolarHBondContact OG-OD1 3.26Å; S313-D339 PolarHBondContact OG-OD2 3.12Å; W337-D339 WeakPolarHBondContact CB-OD1 3.28Å; W337-D339 PolarHBondContact O-N 3.01Å; W337-D339 VanDerWaalsContact O-N 3.1Å; D339-V341 PolarHBondContact O-N 2.82Å; D339-E342 PolarHBondContact O-N 3.43Å; D339-K343 WeakPolarHBondContact O-CG 3.35Å; D339-K343 PolarHBondContact O-N 3.47Å; D339-K343 IonicContact OD2-NZ 2.86Å
340A70.3Confident81.6Confident28 Ų2870 Ų7023%0.23139%0.387CS..Hα-helixtrans-58.6-36.8-174.600000112.3N338 I344 E465N338-A340 PolarHBondContact O-N 3.14Å; A340-I344 WeakPolarHBondContact O-CD1 3.41Å; A340-I344 WeakPolarHBondContact O-CG1 3.08Å; A340-I344 PolarHBondContact O-N 3.22Å; A340-E465 VanDerWaalsContact CA-OE1 3.27Å; A340-E465 WeakPolarHBondContact CA-OE1 3.46Å; A340-E465 HydrophobicContact CB-CG 4.41Å; A340-E465 PolarHBondContact N-OE1 3.35Å
341V79Confident80.9Confident23 Ų2369.5 Ų69.514%0.13938%0.384CS..Hα-helixtrans-75.8-42.7-175.5172.50000111.1N338 D339 K343 I344 R345 V353 L355N338-V341 PolarHBondContact O-N 2.7Å; D339-V341 PolarHBondContact O-N 2.82Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 2.92Å; V341-I344 WeakPolarHBondContact O-CB 3.39Å; V341-I344 PolarHBondContact O-N 3.04Å; V341-I344 VanDerWaalsContact O-N 3.14Å; V341-R345 WeakPolarHBondContact O-CG 3.35Å; V341-R345 PolarHBondContact O-N 3.48Å; V341-V353 HydrophobicContact CG1-CG1 4.08Å; V341-L355 HydrophobicContact CB-CD1 4.11Å; V341-L355 HydrophobicContact CG1-CD1 3.69Å; V341-L355 HydrophobicContact CG1-CG 4.16Å; V341-L355 HydrophobicContact CG2-CD1 3.76Å; V341-L355 HydrophobicContact CG2-CD2 3.79Å; V341-L355 HydrophobicContact CG2-CG 4.13Å
342E76.3Confident80.6Confident100 Ų10074.4 Ų74.447%0.46741%0.408SS..Hα-helixtrans-61.9-44.3175.3-69.1-55.5130.300110.8D339 I344 R345 E346D339-E342 PolarHBondContact O-N 3.43Å; E342-I344 VanDerWaalsContact C-N 3.26Å; E342-I344 PolarHBondContact O-N 2.96Å; E342-R345 WeakPolarHBondContact O-CB 3.46Å; E342-R345 PolarHBondContact O-N 2.96Å; E342-R345 VanDerWaalsContact O-N 3.1Å; E342-R345 IonicContact OE1-CZ 2.64Å; E342-R345 IonicContact OE1-NH1 2.69Å; E342-R345 PolarHBondContact OE1-NH1 3.37Å; E342-E346 WeakPolarHBondContact O-CG 3.42Å; E342-E346 PolarHBondContact O-N 2.55Å
343K81.5Confident80.3Confident69 Ų6970.4 Ų70.430%0.339%0.389SS..Hα-helixtrans-62.7-31.2174.6-67.6-177-156.1142.60113.2D339 V341 I347 E465 L469D339-K343 WeakPolarHBondContact O-CG 3.35Å; D339-K343 PolarHBondContact O-N 3.47Å; D339-K343 IonicContact OD2-NZ 2.86Å; V341-K343 VanDerWaalsContact C-N 3.34Å; V341-K343 PolarHBondContact O-N 2.92Å; K343-I347 WeakPolarHBondContact O-CG1 3.19Å; K343-E465 VanDerWaalsContact CD-OE1 3.28Å; K343-E465 WeakPolarHBondContact CD-OE1 3.34Å; K343-E465 WeakPolarHBondContact CE-OE1 3.47Å; K343-E465 IonicContact NZ-OE1 2.85Å; K343-E465 PolarHBondContact NZ-OE1 3.41Å; K343-E465 IonicContact NZ-OE2 3.36Å; K343-E465 PolarHBondContact NZ-OE2 2.96Å; K343-L469 HydrophobicContact CB-CD1 4.03Å; K343-L469 HydrophobicContact CB-CD2 4.03Å; K343-L469 HydrophobicContact CD-CD1 4.18Å
344I85.5Confident80.2Confident15 Ų1572 Ų728%0.07740%0.395CS..Hα-helixtrans-68.7-44.5173.2-70.9164.4000110.5A340 V341 E342 E346 I347 L351 V353 L468 L469 I472A340-I344 WeakPolarHBondContact O-CD1 3.41Å; A340-I344 WeakPolarHBondContact O-CG1 3.08Å; A340-I344 PolarHBondContact O-N 3.22Å; V341-I344 WeakPolarHBondContact O-CB 3.39Å; V341-I344 PolarHBondContact O-N 3.04Å; V341-I344 VanDerWaalsContact O-N 3.14Å; E342-I344 VanDerWaalsContact C-N 3.26Å; E342-I344 PolarHBondContact O-N 2.96Å; I344-E346 PolarHBondContact O-N 3.45Å; I344-I347 WeakPolarHBondContact O-CB 3.35Å; I344-I347 WeakPolarHBondContact O-CG1 2.98Å; I344-I347 PolarHBondContact O-N 3.29Å; I344-I347 VanDerWaalsContact O-N 3.11Å; I344-L351 HydrophobicContact CG2-CD2 3.5Å; I344-L351 WeakPolarHBondContact O-CD2 3.47Å; I344-V353 HydrophobicContact CG2-CG2 3.78Å; I344-L468 HydrophobicContact CD1-CD2 4.47Å; I344-L469 HydrophobicContact CG1-CD2 3.71Å; I344-I472 HydrophobicContact CD1-CD1 3.68Å; I344-I472 HydrophobicContact CG1-CD1 3.65Å; I344-I472 HydrophobicContact CG2-CD1 4.35Å
345R83.7Confident80Confident71 Ų7170.4 Ų70.427%0.26838%0.376SS..Hα-helixtrans-60.7-30.6177.1-71171.3171.9156.81.3112.5V341 E342 I347 V353 E358V341-R345 WeakPolarHBondContact O-CG 3.35Å; V341-R345 PolarHBondContact O-N 3.48Å; E342-R345 WeakPolarHBondContact O-CB 3.46Å; E342-R345 PolarHBondContact O-N 2.96Å; E342-R345 VanDerWaalsContact O-N 3.1Å; E342-R345 IonicContact OE1-CZ 2.64Å; E342-R345 IonicContact OE1-NH1 2.69Å; E342-R345 PolarHBondContact OE1-NH1 3.37Å; R345-I347 VanDerWaalsContact C-N 3.32Å; R345-I347 PolarHBondContact O-N 3.01Å; R345-V353 HydrophobicContact CG-CB 4.25Å; R345-V353 HydrophobicContact CG-CG2 3.88Å; R345-E358 IonicContact CZ-OE1 3.86Å; R345-E358 IonicContact CZ-OE2 2.66Å; R345-E358 IonicContact NH1-OE1 2.6Å; R345-E358 PolarHBondContact NH1-OE1 3.46Å; R345-E358 IonicContact NH2-OE1 3.94Å; R345-E358 PolarHBondContact NH2-OE1 3.44Å; R345-E358 IonicContact NH2-OE2 2.98Å; R345-E358 PolarHBondContact NH2-OE2 2.86Å
346E84.2Confident79.6Confident157 Ų15772 Ų7273%0.73439%0.387SS*.THydrogen-bonded Turntrans-73.5-15.3176.8-72.1178.217200114.5E342 I344E342-E346 WeakPolarHBondContact O-CG 3.42Å; E342-E346 PolarHBondContact O-N 2.55Å; I344-E346 PolarHBondContact O-N 3.45Å
347I82.2Confident79.3Confident52 Ų5274.4 Ų74.427%0.26739%0.389SS..THydrogen-bonded Turntrans-64.9-45.9-178.4-62.6174000111.5K343 I344 R345 L469 I472 Q473 I476K343-I347 WeakPolarHBondContact O-CG1 3.19Å; I344-I347 WeakPolarHBondContact O-CB 3.35Å; I344-I347 WeakPolarHBondContact O-CG1 2.98Å; I344-I347 PolarHBondContact O-N 3.29Å; I344-I347 VanDerWaalsContact O-N 3.11Å; R345-I347 VanDerWaalsContact C-N 3.32Å; R345-I347 PolarHBondContact O-N 3.01Å; I347-L469 HydrophobicContact CD1-CB 4.49Å; I347-L469 HydrophobicContact CD1-CD2 3.89Å; I347-I472 HydrophobicContact CD1-CB 4.11Å; I347-I472 HydrophobicContact CD1-CG2 3.76Å; I347-Q473 HydrophobicContact CG2-CB 4.37Å; I347-I476 HydrophobicContact CG2-CD1 3.88Å
348D75.8Confident79.3Confident59 Ų5976 Ų7632%0.31640%0.399SS..  trans-151.3127.7178.1-171.1-32.7000109.9N350 L351D348-N350 PolarHBondContact O-N 3.31Å; D348-N350 VanDerWaalsContact O-N 3.08Å; D348-N350 WeakPolarHBondContact OD1-CB 3.47Å; D348-N350 PolarHBondContact OD1-N 3.39Å; D348-N350 PolarHBondContact OD1-ND2 2.85Å; D348-L351 HydrophobicContact CB-CB 4.47Å; D348-L351 WeakPolarHBondContact O-CB 3.27Å; D348-L351 PolarHBondContact O-N 2.9Å
349S76.2Confident79.6Confident116 Ų11672.8 Ų72.881%0.81138%0.382SS*.THydrogen-bonded Turntrans-58.9-18.2177.354.70000115.3
350N78Confident79.4Confident134 Ų13478.4 Ų78.472%0.71741%0.407SS*.THydrogen-bonded Turntrans-89.8-6.5176.6-57.5-65.9000112.9D348 T352D348-N350 PolarHBondContact O-N 3.31Å; D348-N350 VanDerWaalsContact O-N 3.08Å; D348-N350 WeakPolarHBondContact OD1-CB 3.47Å; D348-N350 PolarHBondContact OD1-N 3.39Å; D348-N350 PolarHBondContact OD1-ND2 2.85Å; N350-T352 PolarHBondContact O-N 3.19Å
351L82.7Confident79Confident57 Ų5779.7 Ų79.730%0.29842%0.423SS..  trans-71.9124.4179.7-170.171.1000109.9I344 D348 V353 I476I344-L351 HydrophobicContact CG2-CD2 3.5Å; I344-L351 WeakPolarHBondContact O-CD2 3.47Å; D348-L351 HydrophobicContact CB-CB 4.47Å; D348-L351 WeakPolarHBondContact O-CB 3.27Å; D348-L351 PolarHBondContact O-N 2.9Å; L351-V353 HydrophobicContact CD2-CG2 3.79Å; L351-V353 HydrophobicContact CG-CG2 3.97Å; L351-I476 HydrophobicContact CD1-CD1 4.21Å
352T87.5Confident78Confident137 Ų13780.4 Ų80.484%0.8443%0.425SS*.  trans-97.4118.3170.3-55.90000108.6N350N350-T352 PolarHBondContact O-N 3.19Å
353V88.4Confident77.2Confident35 Ų3579.2 Ų79.221%0.21242%0.422CS..  trans-109.9115.2179.4-1740000109V341 I344 R345 L351V341-V353 HydrophobicContact CG1-CG1 4.08Å; I344-V353 HydrophobicContact CG2-CG2 3.78Å; R345-V353 HydrophobicContact CG-CB 4.25Å; R345-V353 HydrophobicContact CG-CG2 3.88Å; L351-V353 HydrophobicContact CD2-CG2 3.79Å; L351-V353 HydrophobicContact CG-CG2 3.97Å
354Y88.4Confident76.3Confident68 Ų6879.4 Ų79.427%0.26743%0.426SS..  trans-91.1128.3172.6176-104.3000110.5P356 N359 D378 E381Y354-P356 HydrophobicContact CD1-CG 4.47Å; Y354-P356 HydrophobicContact CE1-CB 4.32Å; Y354-P356 HydrophobicContact CE1-CG 3.81Å; Y354-N359 HydrophobicContact CE2-CB 4.12Å; Y354-N359 PolarHBondContact OH-ND2 3.32Å; Y354-N359 VanDerWaalsContact OH-ND2 3.17Å; Y354-D378 PolarHBondContact OH-OD1 2.84Å; Y354-E381 HydrophobicContact CD1-CB 3.66Å; Y354-E381 HydrophobicContact CD1-CG 4.18Å; Y354-E381 HydrophobicContact CD2-CB 4.35Å; Y354-E381 HydrophobicContact CD2-CG 4.01Å; Y354-E381 HydrophobicContact CE1-CB 3.55Å; Y354-E381 HydrophobicContact CE1-CG 3.87Å; Y354-E381 HydrophobicContact CE2-CB 4.27Å; Y354-E381 HydrophobicContact CE2-CG 3.71Å; Y354-E381 HydrophobicContact CG-CB 4.05Å; Y354-E381 HydrophobicContact CG-CG 4.24Å
355L84.9Confident75.3Confident41 Ų4188.3 Ų88.322%0.21546%0.464CS..  trans-117.6126.6164.8-74.6178000109V341 Q357 E358V341-L355 HydrophobicContact CB-CD1 4.11Å; V341-L355 HydrophobicContact CG1-CD1 3.69Å; V341-L355 HydrophobicContact CG1-CG 4.16Å; V341-L355 HydrophobicContact CG2-CD1 3.76Å; V341-L355 HydrophobicContact CG2-CD2 3.79Å; V341-L355 HydrophobicContact CG2-CG 4.13Å; L355-Q357 PolarHBondContact O-N 3.08Å; L355-E358 HydrophobicContact CB-CB 4.33Å; L355-E358 HydrophobicContact CB-CG 3.98Å; L355-E358 HydrophobicContact CD1-CG 4.13Å; L355-E358 PolarHBondContact O-N 2.97Å
356P78.5Confident74.4Confident47 Ų4790.1 Ų90.131%0.30549%0.488SS..G310 helixtrans-53.3-31.4176.1-27.433.3000113.7Y354 E358 N359Y354-P356 HydrophobicContact CD1-CG 4.47Å; Y354-P356 HydrophobicContact CE1-CB 4.32Å; Y354-P356 HydrophobicContact CE1-CG 3.81Å; P356-E358 VanDerWaalsContact C-N 3.29Å; P356-E358 PolarHBondContact O-N 2.93Å; P356-N359 WeakPolarHBondContact O-CB 3.39Å; P356-N359 PolarHBondContact O-N 2.76Å
357Q73.3Confident73.5Confident132 Ų13285 Ų8562%0.61747%0.473SS*.G310 helixtrans-71.8-18.5-180-62.6171.44.200113.8L355 N363L355-Q357 PolarHBondContact O-N 3.08Å; Q357-N363 WeakPolarHBondContact CA-ND2 3.21Å; Q357-N363 PolarHBondContact O-ND2 2.94Å
358E76.4Confident73.1Confident96 Ų9691.2 Ų91.245%0.44949%0.494SS..G310 helixtrans-94.3-3.1177.7-65.2176.8159.500112.2R345 L355 P356 E360R345-E358 IonicContact CZ-OE1 3.86Å; R345-E358 IonicContact CZ-OE2 2.66Å; R345-E358 IonicContact NH1-OE1 2.6Å; R345-E358 PolarHBondContact NH1-OE1 3.46Å; R345-E358 IonicContact NH2-OE1 3.94Å; R345-E358 PolarHBondContact NH2-OE1 3.44Å; R345-E358 IonicContact NH2-OE2 2.98Å; R345-E358 PolarHBondContact NH2-OE2 2.86Å; L355-E358 HydrophobicContact CB-CB 4.33Å; L355-E358 HydrophobicContact CB-CG 3.98Å; L355-E358 HydrophobicContact CD1-CG 4.13Å; L355-E358 PolarHBondContact O-N 2.97Å; P356-E358 VanDerWaalsContact C-N 3.29Å; P356-E358 PolarHBondContact O-N 2.93Å; E358-E360 PolarHBondContact O-N 2.73Å; E358-E360 VanDerWaalsContact O-N 3.09Å
359N71.8Confident72.9Confident42 Ų4289.9 Ų89.923%0.22549%0.491CS..  trans-78.993.7178.9-167.9-24.6000110.9Y354 P356 G361 I362 N363Y354-N359 HydrophobicContact CE2-CB 4.12Å; Y354-N359 PolarHBondContact OH-ND2 3.32Å; Y354-N359 VanDerWaalsContact OH-ND2 3.17Å; P356-N359 WeakPolarHBondContact O-CB 3.39Å; P356-N359 PolarHBondContact O-N 2.76Å; N359-G361 PolarHBondContact O-N 2.59Å; N359-G361 VanDerWaalsContact O-N 3.12Å; N359-G361 PolarHBondContact OD1-N 3.09Å; N359-I362 HydrophobicContact CB-CD1 4.44Å; N359-I362 VanDerWaalsContact ND2-CD1 3.33Å; N359-I362 WeakPolarHBondContact ND2-CD1 3.49Å; N359-I362 PolarHBondContact O-N 3Å; N359-I362 VanDerWaalsContact O-N 3.08Å; N359-N363 WeakPolarHBondContact O-CB 3.44Å; N359-N363 PolarHBondContact O-N 3.2Å
360E62.6Low73.3Confident168 Ų16886.9 Ų86.979%0.78547%0.466SS*.Hα-helixtrans-53.2-33.1-179.8-66.9-173.8168.200113.2E358 I362 D364E358-E360 PolarHBondContact O-N 2.73Å; E358-E360 VanDerWaalsContact O-N 3.09Å; E360-I362 PolarHBondContact O-N 3.47Å; E360-D364 WeakPolarHBondContact O-CB 3.32Å; E360-D364 PolarHBondContact O-N 2.66Å; E360-D364 VanDerWaalsContact O-N 3.17Å
361G61.7Low73.7Confident55 Ų5585.2 Ų85.257%0.56747%0.465SS*.Hα-helixtrans-67.6-16.7-178.300000114.7N359N359-G361 PolarHBondContact O-N 2.59Å; N359-G361 VanDerWaalsContact O-N 3.12Å; N359-G361 PolarHBondContact OD1-N 3.09Å
362I59Low74Confident38 Ų3889.7 Ų89.720%0.19548%0.482CS..Hα-helixtrans-124.5-34-175.1-46.7170.3000111.2N359 E360 A369 I374 A377N359-I362 HydrophobicContact CB-CD1 4.44Å; N359-I362 VanDerWaalsContact ND2-CD1 3.33Å; N359-I362 WeakPolarHBondContact ND2-CD1 3.49Å; N359-I362 PolarHBondContact O-N 3Å; N359-I362 VanDerWaalsContact O-N 3.08Å; E360-I362 PolarHBondContact O-N 3.47Å; I362-A369 HydrophobicContact CG2-CB 4.3Å; I362-I374 HydrophobicContact CG2-CB 4.16Å; I362-I374 HydrophobicContact CG2-CG1 3.51Å; I362-I374 HydrophobicContact CG2-CG2 4.3Å; I362-A377 HydrophobicContact CD1-CB 3.28Å; I362-A377 HydrophobicContact CG1-CB 4.32Å
363N59.7Low74Confident75 Ų7587.4 Ų87.440%0.40146%0.462SS..Hα-helixtrans-98.71.4-177.2-161.432.2000113.9Q357 N359 K365Q357-N363 WeakPolarHBondContact CA-ND2 3.21Å; Q357-N363 PolarHBondContact O-ND2 2.94Å; N359-N363 WeakPolarHBondContact O-CB 3.44Å; N359-N363 PolarHBondContact O-N 3.2Å; N363-K365 PolarHBondContact O-N 3.24Å
364D63.2Low73.8Confident73 Ų7388.8 Ų88.839%0.3947%0.468SS..  trans-64.8105.2163.7178.64.1000109.1E360 S366 A367E360-D364 WeakPolarHBondContact O-CB 3.32Å; E360-D364 PolarHBondContact O-N 2.66Å; E360-D364 VanDerWaalsContact O-N 3.17Å; D364-S366 PolarHBondContact O-N 3.38Å; D364-S366 WeakPolarHBondContact OD1-CA 3.3Å; D364-S366 VanDerWaalsContact OD1-CB 3.31Å; D364-S366 WeakPolarHBondContact OD1-CB 3.15Å; D364-S366 PolarHBondContact OD1-N 3.25Å; D364-S366 PolarHBondContact OD1-OG 2.83Å; D364-S366 PolarHBondContact OD2-OG 3.35Å; D364-A367 HydrophobicContact CB-CB 3.89Å; D364-A367 PolarHBondContact O-N 3.15Å
365K63.8Low73.8Confident201 Ų20188.1 Ų88.187%0.87448%0.476SS*.THydrogen-bonded Turntrans-62.9-12.1179.6-66.1-179.2-178.3170.70113.4N363N363-K365 PolarHBondContact O-N 3.24Å
366S64.6Low74Confident109 Ų10991.5 Ų91.576%0.76249%0.494SS*.THydrogen-bonded Turntrans-91.6-17.2173.678.20000113.3D364D364-S366 PolarHBondContact O-N 3.38Å; D364-S366 WeakPolarHBondContact OD1-CA 3.3Å; D364-S366 VanDerWaalsContact OD1-CB 3.31Å; D364-S366 WeakPolarHBondContact OD1-CB 3.15Å; D364-S366 PolarHBondContact OD1-N 3.25Å; D364-S366 PolarHBondContact OD1-OG 2.83Å; D364-S366 PolarHBondContact OD2-OG 3.35Å
367A65.2Low74.3Confident50 Ų5090.4 Ų90.441%0.41349%0.489SS..SBendtrans-90.8153.4178.900000112.4D364D364-A367 HydrophobicContact CB-CB 3.89Å; D364-A367 PolarHBondContact O-N 3.15Å
368Y74.3Confident75.1Confident183 Ų18385.2 Ų85.272%0.71847%0.466SS*.  trans-84.4123.6174.5176.6-93.6000110.7D370Y368-D370 HydrophobicContact CE1-CB 4.1Å
369A72.1Confident75.8Confident30 Ų3083.1 Ų83.125%0.24846%0.46CS..  trans-132.7126166.300000109.4I362 I374I362-A369 HydrophobicContact CG2-CB 4.3Å; A369-I374 HydrophobicContact CB-CD1 4.39Å; A369-I374 HydrophobicContact CB-CG1 4.07Å
370D83.7Confident76.8Confident53 Ų5386.3 Ų86.328%0.28347%0.473SS..  trans-87.5169.1172.582.911.5000111.5Y368 K372 M373 I374Y368-D370 HydrophobicContact CE1-CB 4.1Å; D370-K372 PolarHBondContact O-N 3.28Å; D370-K372 VanDerWaalsContact O-N 3.15Å; D370-K372 WeakPolarHBondContact OD1-CA 3.03Å; D370-K372 WeakPolarHBondContact OD1-CB 3.41Å; D370-K372 PolarHBondContact OD1-N 3.27Å; D370-M373 PolarHBondContact O-N 3.21Å; D370-M373 WeakPolarHBondContact OD1-CG 3Å; D370-M373 PolarHBondContact OD1-N 3Å; D370-I374 WeakPolarHBondContact O-CG1 3.42Å; D370-I374 PolarHBondContact O-N 3.21Å; D370-I374 VanDerWaalsContact O-N 3.14Å
371S86.5Confident78.2Confident99 Ų9980.7 Ų80.769%0.69245%0.447SS*.Hα-helixtrans-62.2-24.1-177.9640000113.8A375S371-A375 VanDerWaalsContact O-CB 3.29Å; S371-A375 WeakPolarHBondContact O-CB 3.3Å; S371-A375 PolarHBondContact O-N 2.86Å
372K89.2Confident79.7Confident152 Ų15278.6 Ų78.666%0.66142%0.423SS*.Hα-helixtrans-79.7-39.6178.5-64.6177.8-179.4174.20110.7D370 L376D370-K372 PolarHBondContact O-N 3.28Å; D370-K372 VanDerWaalsContact O-N 3.15Å; D370-K372 WeakPolarHBondContact OD1-CA 3.03Å; D370-K372 WeakPolarHBondContact OD1-CB 3.41Å; D370-K372 PolarHBondContact OD1-N 3.27Å; K372-L376 WeakPolarHBondContact O-CB 3.36Å; K372-L376 VanDerWaalsContact O-CG 3.28Å; K372-L376 WeakPolarHBondContact O-CG 3.47Å; K372-L376 PolarHBondContact O-N 3.11Å
373M86.9Confident81.3Confident88 Ų8880.5 Ų80.543%0.43343%0.433SS..Hα-helixtrans-60.1-49.3175.6-69.317362.200110.8D370 L376 A377D370-M373 PolarHBondContact O-N 3.21Å; D370-M373 WeakPolarHBondContact OD1-CG 3Å; D370-M373 PolarHBondContact OD1-N 3Å; M373-L376 PolarHBondContact O-N 2.8Å; M373-A377 WeakPolarHBondContact O-CB 3.19Å; M373-A377 PolarHBondContact O-N 2.91Å
374I84.2Confident82.9Confident65 Ų6583.1 Ų83.133%0.33344%0.441SS..Hα-helixtrans-58-55177.2-61.3163.8000109.8I362 A369 D370 L376 A377 D378I362-I374 HydrophobicContact CG2-CB 4.16Å; I362-I374 HydrophobicContact CG2-CG1 3.51Å; I362-I374 HydrophobicContact CG2-CG2 4.3Å; A369-I374 HydrophobicContact CB-CD1 4.39Å; A369-I374 HydrophobicContact CB-CG1 4.07Å; D370-I374 WeakPolarHBondContact O-CG1 3.42Å; D370-I374 PolarHBondContact O-N 3.21Å; D370-I374 VanDerWaalsContact O-N 3.14Å; I374-L376 VanDerWaalsContact C-N 3.34Å; I374-L376 PolarHBondContact O-N 2.96Å; I374-A377 PolarHBondContact O-N 3.07Å; I374-D378 WeakPolarHBondContact CG2-OD2 3.27Å; I374-D378 PolarHBondContact O-N 3.32Å
375A88.2Confident84.2Confident53 Ų5381.4 Ų81.444%0.43844%0.435SS..Hα-helixtrans-60.8-39-176.800000113.6S371 T379S371-A375 VanDerWaalsContact O-CB 3.29Å; S371-A375 WeakPolarHBondContact O-CB 3.3Å; S371-A375 PolarHBondContact O-N 2.86Å; A375-T379 WeakPolarHBondContact O-CB 3.38Å; A375-T379 PolarHBondContact O-N 3.49Å; A375-T379 VanDerWaalsContact O-N 3.11Å; A375-T379 PolarHBondContact O-OG1 3.19Å
376L88.7Confident85.5Confident112 Ų11278.1 Ų78.159%0.58643%0.427SS*.Hα-helixtrans-67.6-47.5178.3-78.3169.3000111.5K372 M373 I374 T379 E380K372-L376 WeakPolarHBondContact O-CB 3.36Å; K372-L376 VanDerWaalsContact O-CG 3.28Å; K372-L376 WeakPolarHBondContact O-CG 3.47Å; K372-L376 PolarHBondContact O-N 3.11Å; M373-L376 PolarHBondContact O-N 2.8Å; I374-L376 VanDerWaalsContact C-N 3.34Å; I374-L376 PolarHBondContact O-N 2.96Å; L376-T379 PolarHBondContact O-N 3.48Å; L376-E380 WeakPolarHBondContact O-CG 3.45Å; L376-E380 PolarHBondContact O-N 3.37Å
377A86.5Confident86.9Confident24 Ų2474.7 Ų74.720%0.19840%0.4CS..Hα-helixtrans-68.4-43.6-175.800000112.2I362 M373 I374 T379 E380 E381I362-A377 HydrophobicContact CD1-CB 3.28Å; I362-A377 HydrophobicContact CG1-CB 4.32Å; M373-A377 WeakPolarHBondContact O-CB 3.19Å; M373-A377 PolarHBondContact O-N 2.91Å; I374-A377 PolarHBondContact O-N 3.07Å; A377-T379 VanDerWaalsContact C-N 3.33Å; A377-T379 PolarHBondContact O-N 3.38Å; A377-E380 PolarHBondContact O-N 2.83Å; A377-E381 PolarHBondContact O-N 3.3Å; A377-E381 VanDerWaalsContact O-N 3.14Å
378D88.3Confident88.3Confident24 Ų2473.2 Ų73.213%0.12838%0.384CS..Hα-helixtrans-64.6-38.9174.8-68.6-28000111.4Y354 I374 E380 E381 V382Y354-D378 PolarHBondContact OH-OD1 2.84Å; I374-D378 WeakPolarHBondContact CG2-OD2 3.27Å; I374-D378 PolarHBondContact O-N 3.32Å; D378-E380 PolarHBondContact O-N 3.02Å; D378-E381 PolarHBondContact O-N 3.06Å; D378-V382 WeakPolarHBondContact O-CG2 3.16Å; D378-V382 PolarHBondContact O-N 2.92Å
379T92.1Very high89.2Confident52 Ų5267.4 Ų67.432%0.31937%0.368SS..Hα-helixtrans-62.1-42.2174.5-64.20000111.8A375 L376 A377 E381 V382 L383 V407A375-T379 WeakPolarHBondContact O-CB 3.38Å; A375-T379 PolarHBondContact O-N 3.49Å; A375-T379 VanDerWaalsContact O-N 3.11Å; A375-T379 PolarHBondContact O-OG1 3.19Å; L376-T379 PolarHBondContact O-N 3.48Å; A377-T379 VanDerWaalsContact C-N 3.33Å; A377-T379 PolarHBondContact O-N 3.38Å; T379-E381 VanDerWaalsContact C-N 3.33Å; T379-E381 PolarHBondContact O-N 2.98Å; T379-V382 PolarHBondContact O-N 3.46Å; T379-L383 HydrophobicContact CG2-CD1 3.9Å; T379-L383 HydrophobicContact CG2-CG 4.22Å; T379-L383 WeakPolarHBondContact O-CB 3.11Å; T379-L383 WeakPolarHBondContact O-CG 3.01Å; T379-L383 PolarHBondContact O-N 3.24Å; T379-V407 HydrophobicContact CG2-CG1 4.19Å
380E92.1Very high90.3Very high108 Ų10866 Ų6651%0.50536%0.356SS..Hα-helixtrans-62.5-40178.6-78.9-177.9-175.100112.2L376 A377 D378 L383 K384L376-E380 WeakPolarHBondContact O-CG 3.45Å; L376-E380 PolarHBondContact O-N 3.37Å; A377-E380 PolarHBondContact O-N 2.83Å; D378-E380 PolarHBondContact O-N 3.02Å; E380-L383 PolarHBondContact O-N 3.5Å; E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.44Å; E380-K384 PolarHBondContact O-N 3.34Å; E380-K384 VanDerWaalsContact O-N 3.14Å
381E92.6Very high90.6Very high51 Ų5168.1 Ų68.124%0.23837%0.367CS..Hα-helixtrans-71-40.3176.8-64.8-54.2131.800112.2Y354 A377 D378 T379 L383 K384 S385Y354-E381 HydrophobicContact CD1-CB 3.66Å; Y354-E381 HydrophobicContact CD1-CG 4.18Å; Y354-E381 HydrophobicContact CD2-CB 4.35Å; Y354-E381 HydrophobicContact CD2-CG 4.01Å; Y354-E381 HydrophobicContact CE1-CB 3.55Å; Y354-E381 HydrophobicContact CE1-CG 3.87Å; Y354-E381 HydrophobicContact CE2-CB 4.27Å; Y354-E381 HydrophobicContact CE2-CG 3.71Å; Y354-E381 HydrophobicContact CG-CB 4.05Å; Y354-E381 HydrophobicContact CG-CG 4.24Å; A377-E381 PolarHBondContact O-N 3.3Å; A377-E381 VanDerWaalsContact O-N 3.14Å; D378-E381 PolarHBondContact O-N 3.06Å; T379-E381 VanDerWaalsContact C-N 3.33Å; T379-E381 PolarHBondContact O-N 2.98Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.27Å; E381-K384 PolarHBondContact O-N 2.6Å; E381-K384 VanDerWaalsContact O-N 3.16Å; E381-K384 IonicContact OE1-NZ 3.88Å; E381-K384 PolarHBondContact OE1-NZ 3.49Å; E381-S385 PolarHBondContact O-N 3.23Å; E381-S385 VanDerWaalsContact O-N 3.16Å; E381-S385 PolarHBondContact O-OG 2.99Å
382V93Very high90.8Very high11 Ų1163.4 Ų63.47%0.06733%0.334CS..Hα-helixtrans-57-44.9170.3172.40000110.3D378 T379 K384 S385 E404 V407 A408 I413D378-V382 WeakPolarHBondContact O-CG2 3.16Å; D378-V382 PolarHBondContact O-N 2.92Å; T379-V382 PolarHBondContact O-N 3.46Å; V382-K384 VanDerWaalsContact C-N 3.27Å; V382-K384 PolarHBondContact O-N 3.01Å; V382-S385 WeakPolarHBondContact O-CB 3.44Å; V382-S385 PolarHBondContact O-N 2.87Å; V382-S385 VanDerWaalsContact O-N 3.12Å; V382-E404 HydrophobicContact CG2-CB 4.1Å; V382-E404 HydrophobicContact CG2-CG 4.07Å; V382-V407 HydrophobicContact CG1-CB 4.32Å; V382-V407 HydrophobicContact CG1-CG1 3.94Å; V382-A408 HydrophobicContact CG1-CB 4.11Å; V382-I413 HydrophobicContact CG1-CD1 4.42Å; V382-I413 WeakPolarHBondContact O-CD1 3.42Å
383L93Very high90.7Very high78 Ų7858.1 Ų58.141%0.40831%0.313SS..Hα-helixtrans-66.6-23.2-179.8-70.6174.7000114.5T379 E380 E381 V407 K411T379-L383 HydrophobicContact CG2-CD1 3.9Å; T379-L383 HydrophobicContact CG2-CG 4.22Å; T379-L383 WeakPolarHBondContact O-CB 3.11Å; T379-L383 WeakPolarHBondContact O-CG 3.01Å; T379-L383 PolarHBondContact O-N 3.24Å; E380-L383 PolarHBondContact O-N 3.5Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.27Å; L383-V407 HydrophobicContact CD2-CG1 4.31Å; L383-K411 HydrophobicContact CD2-CB 4.19Å; L383-K411 HydrophobicContact CD2-CD 3.63Å; L383-K411 HydrophobicContact CD2-CG 3.43Å; L383-K411 VanDerWaalsContact CD2-CG 3.43Å
384K92.2Very high90.3Very high129 Ų12955.5 Ų55.556%0.56131%0.309SS*.Hα-helixtrans-86.1-14.8174.9-69.4168.2-1641660112.9E380 E381 V382E380-K384 VanDerWaalsContact O-CG 3.29Å; E380-K384 WeakPolarHBondContact O-CG 3.44Å; E380-K384 PolarHBondContact O-N 3.34Å; E380-K384 VanDerWaalsContact O-N 3.14Å; E381-K384 PolarHBondContact O-N 2.6Å; E381-K384 VanDerWaalsContact O-N 3.16Å; E381-K384 IonicContact OE1-NZ 3.88Å; E381-K384 PolarHBondContact OE1-NZ 3.49Å; V382-K384 VanDerWaalsContact C-N 3.27Å; V382-K384 PolarHBondContact O-N 3.01Å
385S92.3Very high90Very high38 Ų3859.5 Ų59.527%0.26633%0.33SS..  trans-79.1136.2-172.9-62.30000112.1E381 V382 I413E381-S385 PolarHBondContact O-N 3.23Å; E381-S385 VanDerWaalsContact O-N 3.16Å; E381-S385 PolarHBondContact O-OG 2.99Å; V382-S385 WeakPolarHBondContact O-CB 3.44Å; V382-S385 PolarHBondContact O-N 2.87Å; V382-S385 VanDerWaalsContact O-N 3.12Å; S385-I413 WeakPolarHBondContact O-CG2 3.28Å
386D91Very high89.5Confident131 Ų13161.2 Ų61.270%0.70134%0.335SS*.SBendtrans-78.8-25.7172-61.1-63000112.4P414 F475D386-P414 VanDerWaalsContact O-CD 3.31Å; D386-P414 WeakPolarHBondContact O-CD 3.32Å; D386-P414 WeakPolarHBondContact O-CG 3.41Å; D386-F475 HydrophobicContact CB-CE1 4.36Å; D386-F475 WeakPolarHBondContact O-CZ 3.33Å
387L92.6Very high89.4Confident38 Ų3856.9 Ų56.920%0.19931%0.313CS..  trans-148.4136.9-178-177.870000109.4P414 I416 I472 F475L387-P414 HydrophobicContact CD1-CB 4.06Å; L387-P414 HydrophobicContact CD1-CG 3.91Å; L387-I416 HydrophobicContact CD1-CD1 4.13Å; L387-I416 HydrophobicContact CD1-CG1 4.09Å; L387-I416 HydrophobicContact CD2-CD1 3.93Å; L387-I416 HydrophobicContact CG-CD1 4.48Å; L387-I472 HydrophobicContact CD2-CG1 4.14Å; L387-F475 HydrophobicContact CB-CD1 4.12Å; L387-F475 HydrophobicContact CB-CE1 3.75Å; L387-F475 HydrophobicContact CB-CZ 4.08Å; L387-F475 HydrophobicContact CD1-CD1 4.4Å; L387-F475 HydrophobicContact CD1-CD2 4.08Å; L387-F475 HydrophobicContact CD1-CE1 4.44Å; L387-F475 HydrophobicContact CD1-CE2 4.12Å; L387-F475 HydrophobicContact CD1-CG 4.22Å; L387-F475 HydrophobicContact CD1-CZ 4.29Å; L387-F475 HydrophobicContact CD2-CB 4.35Å; L387-F475 HydrophobicContact CD2-CD1 3.86Å; L387-F475 HydrophobicContact CD2-CE1 4.36Å; L387-F475 HydrophobicContact CD2-CG 4.05Å; L387-F475 HydrophobicContact CG-CD1 4.36Å; L387-F475 HydrophobicContact CG-CE1 4.41Å
388M94.7Very high89.4Confident18 Ų1860.4 Ų60.49%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-107133.4171.1-173.7-173.1179.300110.4A390 E404 I405 A408 P414 V415 I416M388-A390 HydrophobicContact CE-CB 4.4Å; M388-E404 HydrophobicContact CE-CB 3.41Å; M388-E404 VanDerWaalsContact CE-CB 3.41Å; M388-E404 HydrophobicContact CE-CG 4.5Å; M388-E404 HydrophobicContact SD-CB 4.28Å; M388-I405 HydrophobicContact CE-CG1 4.14Å; M388-I405 HydrophobicContact SD-CG1 4.3Å; M388-A408 HydrophobicContact SD-CB 3.86Å; M388-P414 PolarHBondContact N-O 3.27Å; M388-V415 HydrophobicContact CB-CG1 4.32Å; M388-V415 HydrophobicContact CB-CG2 4.18Å; M388-V415 HydrophobicContact CG-CG1 4.41Å; M388-V415 CarbonylContact O-C 3.53Å; M388-V415 VanDerWaalsContact O-CA 3.3Å; M388-V415 WeakPolarHBondContact O-CA 3.33Å; M388-V415 HydrophobicContact SD-CG1 4.38Å; M388-V415 HydrophobicContact SD-CG2 4.35Å; M388-I416 PolarHBondContact O-N 3.49Å
389V94.1Very high89.5Confident61 Ų6162.8 Ų62.837%0.3735%0.351SS..EExtended strand (participates in β ladder)trans-105.6123.9167.8179.10000108.1I416 L468 I472V389-I416 WeakPolarHBondContact CA-O 3.28Å; V389-L468 HydrophobicContact CG1-CD1 3.83Å; V389-L468 HydrophobicContact CG1-CD2 3.97Å; V389-L468 HydrophobicContact CG2-CD1 4.23Å; V389-I472 HydrophobicContact CG2-CD1 3.92Å; V389-I472 HydrophobicContact CG2-CG1 4.4Å
390A93.8Very high89.4Confident1 Ų161.9 Ų61.91%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-117.8120.3-177.800000110.8M388 L392 V401 I405 V415 I416 G417 L418M388-A390 HydrophobicContact CE-CB 4.4Å; A390-L392 HydrophobicContact CB-CD2 4.23Å; A390-L392 PolarHBondContact O-N 3.42Å; A390-V401 HydrophobicContact CB-CG1 3.93Å; A390-I405 HydrophobicContact CB-CD1 3.85Å; A390-I405 HydrophobicContact CB-CG1 3.99Å; A390-V415 HydrophobicContact CB-CG1 3.98Å; A390-I416 PolarHBondContact N-O 3.07Å; A390-G417 CarbonylContact O-C 3.52Å; A390-G417 VanDerWaalsContact O-CA 3.29Å; A390-G417 WeakPolarHBondContact O-CA 3.39Å; A390-L418 PolarHBondContact O-N 3.16Å
391L90.9Very high89.4Confident97 Ų9758.1 Ų58.151%0.50834%0.336SS..EExtended strand (participates in β ladder)trans-77.1121.5171.6-175.465.7000109.6D393 L418L391-D393 HydrophobicContact CD1-CB 4.06Å; L391-D393 HydrophobicContact CG-CB 4.18Å; L391-L418 HydrophobicContact CD1-CB 4.3Å; L391-L418 HydrophobicContact CD1-CD2 3.91Å; L391-L418 HydrophobicContact CD1-CG 4.13Å
392L91.3Very high89.5Confident1 Ų157 Ų571%0.00534%0.335CS..  trans-100.40.2-177.4-51.4-175000113A390 I397 I405 L418 Y419 L447 I455 I461A390-L392 HydrophobicContact CB-CD2 4.23Å; A390-L392 PolarHBondContact O-N 3.42Å; L392-I397 HydrophobicContact CD2-CD1 3.52Å; L392-I397 HydrophobicContact CD2-CG1 4.35Å; L392-I405 HydrophobicContact CD2-CD1 4.3Å; L392-L418 WeakPolarHBondContact CB-O 3.4Å; L392-L418 PolarHBondContact N-O 3.46Å; L392-Y419 HydrophobicContact CB-CD2 4.38Å; L392-L447 HydrophobicContact CB-CD2 4.15Å; L392-L447 WeakPolarHBondContact O-CD2 3.5Å; L392-I455 HydrophobicContact CD1-CD1 3.98Å; L392-I455 HydrophobicContact CD2-CD1 3.72Å; L392-I455 HydrophobicContact CG-CD1 4.44Å; L392-I461 HydrophobicContact CD1-CD1 3.83Å; L392-I461 HydrophobicContact CD1-CG1 4.27Å; L392-I461 HydrophobicContact CD1-CG2 4.41Å
393D85.6Confident89.5Confident41 Ų4160.3 Ų60.322%0.21936%0.359CS..  trans-75.5160-180-74.39.3000112L391 Y419 T420 D421L391-D393 HydrophobicContact CD1-CB 4.06Å; L391-D393 HydrophobicContact CG-CB 4.18Å; D393-Y419 WeakPolarHBondContact OD1-CA 3.15Å; D393-Y419 WeakPolarHBondContact OD1-CD2 3.47Å; D393-T420 PolarHBondContact OD1-N 2.97Å; D393-T420 WeakPolarHBondContact OD2-CB 3.32Å; D393-T420 PolarHBondContact OD2-N 3.35Å; D393-T420 PolarHBondContact OD2-OG1 2.84Å; D393-D421 PolarHBondContact OD1-N 3.03Å; D393-D421 VanDerWaalsContact OD1-N 3.1Å; D393-D421 PolarHBondContact OD2-N 2.85Å
394G79.3Confident89.6Confident33 Ų3358.3 Ų58.334%0.3435%0.348SS..SBendtrans135.1-171.9-179.500000112.7T396 R423 H445G394-T396 VanDerWaalsContact C-N 3.3Å; G394-R423 PolarHBondContact O-NH2 2.95Å; G394-H445 PolarHBondContact O-NE2 3.1Å
395L76.9Confident89.8Confident149 Ų14952.2 Ų52.278%0.7832%0.321SS*.SBendtrans-70-36.8165.4-74.2172.5000110.8
396T79.4Confident90Very high89 Ų8951.6 Ų51.655%0.54632%0.321SS..SBendtrans-146.2157.6166.756.70000107.2G394 Y446G394-T396 VanDerWaalsContact C-N 3.3Å; T396-Y446 HydrophobicContact CG2-CD1 4.44Å
397I85.2Confident90.2Very high21 Ų2147.3 Ų47.311%0.10830%0.299CS..  trans-53.6142.6169.7-167178.8000110.7L392 V401 A402 I405 T451L392-I397 HydrophobicContact CD2-CD1 3.52Å; L392-I397 HydrophobicContact CD2-CG1 4.35Å; I397-V401 HydrophobicContact CD1-CG1 4.01Å; I397-V401 HydrophobicContact CG1-CB 4.38Å; I397-V401 HydrophobicContact CG1-CG1 4.24Å; I397-A402 HydrophobicContact CD1-CB 4.46Å; I397-A402 HydrophobicContact CG2-CB 4.29Å; I397-I405 HydrophobicContact CD1-CD1 3.7Å; I397-T451 HydrophobicContact CD1-CG2 3.92Å
398D86.9Confident90.4Very high98 Ų9845.5 Ų45.552%0.52429%0.29SS..  trans-59.3139.4173179.6-95.8000111.3G400 V401 A402D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 2.93Å; D398-G400 VanDerWaalsContact OD1-CA 3.23Å; D398-G400 WeakPolarHBondContact OD1-CA 3.25Å; D398-G400 PolarHBondContact OD1-N 3.38Å; D398-V401 HydrophobicContact CB-CB 4.18Å; D398-V401 HydrophobicContact CB-CG2 3.88Å; D398-V401 PolarHBondContact O-N 3.27Å; D398-V401 PolarHBondContact OD1-N 2.98Å; D398-V401 VanDerWaalsContact OD1-N 3.09Å; D398-A402 WeakPolarHBondContact O-CB 3.47Å; D398-A402 PolarHBondContact O-N 3.01Å
399A90.5Very high90.4Very high74 Ų7449.2 Ų49.261%0.61230%0.304SS*.Hα-helixtrans-71.2-29.6-175.500000112.8S403A399-S403 PolarHBondContact O-N 3.48Å; A399-S403 VanDerWaalsContact O-N 3.14Å; A399-S403 PolarHBondContact O-OG 2.74Å
400G90.2Very high90.4Very high32 Ų3250 Ų5033%0.3332%0.317SS..Hα-helixtrans-65.3-52.5171.400000110.5D398 A402 S403 E404D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 2.93Å; D398-G400 VanDerWaalsContact OD1-CA 3.23Å; D398-G400 WeakPolarHBondContact OD1-CA 3.25Å; D398-G400 PolarHBondContact OD1-N 3.38Å; G400-A402 VanDerWaalsContact C-N 3.28Å; G400-A402 PolarHBondContact O-N 3.42Å; G400-S403 WeakPolarHBondContact O-CA 3.5Å; G400-S403 WeakPolarHBondContact O-CB 3.41Å; G400-S403 PolarHBondContact O-N 2.85Å; G400-E404 WeakPolarHBondContact O-CG 3.26Å; G400-E404 PolarHBondContact O-N 3.06Å
401V91.9Very high90.4Very high30 Ų3056.7 Ų56.718%0.18235%0.346CS..Hα-helixtrans-55.8-43.4176.3178.20000111.4A390 I397 D398 S403 E404 I405A390-V401 HydrophobicContact CB-CG1 3.93Å; I397-V401 HydrophobicContact CD1-CG1 4.01Å; I397-V401 HydrophobicContact CG1-CB 4.38Å; I397-V401 HydrophobicContact CG1-CG1 4.24Å; D398-V401 HydrophobicContact CB-CB 4.18Å; D398-V401 HydrophobicContact CB-CG2 3.88Å; D398-V401 PolarHBondContact O-N 3.27Å; D398-V401 PolarHBondContact OD1-N 2.98Å; D398-V401 VanDerWaalsContact OD1-N 3.09Å; V401-S403 VanDerWaalsContact C-N 3.29Å; V401-S403 PolarHBondContact O-N 3.24Å; V401-E404 PolarHBondContact O-N 3.33Å; V401-I405 HydrophobicContact CG1-CD1 3.9Å; V401-I405 HydrophobicContact CG1-CG1 4.44Å; V401-I405 WeakPolarHBondContact O-CD1 3.29Å; V401-I405 VanDerWaalsContact O-CG1 3.23Å; V401-I405 WeakPolarHBondContact O-CG1 3.36Å; V401-I405 PolarHBondContact O-N 3.26Å
402A93.8Very high90.4Very high26 Ų2654.4 Ų54.422%0.21535%0.345CS..Hα-helixtrans-61.9-34.717600000113.3I397 D398 G400 G406 T451I397-A402 HydrophobicContact CD1-CB 4.46Å; I397-A402 HydrophobicContact CG2-CB 4.29Å; D398-A402 WeakPolarHBondContact O-CB 3.47Å; D398-A402 PolarHBondContact O-N 3.01Å; G400-A402 VanDerWaalsContact C-N 3.28Å; G400-A402 PolarHBondContact O-N 3.42Å; A402-G406 PolarHBondContact O-N 3.23Å; A402-T451 HydrophobicContact CB-CG2 4.23Å
403S94.3Very high90.5Very high81 Ų8155 Ų5557%0.56635%0.348SS*.Hα-helixtrans-71.4-43.4177.1-58.50000111.3A399 G400 V401 G406 V407A399-S403 PolarHBondContact O-N 3.48Å; A399-S403 VanDerWaalsContact O-N 3.14Å; A399-S403 PolarHBondContact O-OG 2.74Å; G400-S403 WeakPolarHBondContact O-CA 3.5Å; G400-S403 WeakPolarHBondContact O-CB 3.41Å; G400-S403 PolarHBondContact O-N 2.85Å; V401-S403 VanDerWaalsContact C-N 3.29Å; V401-S403 PolarHBondContact O-N 3.24Å; S403-G406 WeakPolarHBondContact O-CA 3.35Å; S403-G406 PolarHBondContact O-N 3.4Å; S403-G406 VanDerWaalsContact O-N 3.09Å; S403-V407 PolarHBondContact O-N 3.4Å
404E94.8Very high90.9Very high37 Ų3754.6 Ų54.617%0.17335%0.348CS..Hα-helixtrans-63.5-42.2176.4-67.3168.616700112.1V382 M388 G400 V401 G406 V407 A408V382-E404 HydrophobicContact CG2-CB 4.1Å; V382-E404 HydrophobicContact CG2-CG 4.07Å; M388-E404 HydrophobicContact CE-CB 3.41Å; M388-E404 VanDerWaalsContact CE-CB 3.41Å; M388-E404 HydrophobicContact CE-CG 4.5Å; M388-E404 HydrophobicContact SD-CB 4.28Å; G400-E404 WeakPolarHBondContact O-CG 3.26Å; G400-E404 PolarHBondContact O-N 3.06Å; V401-E404 PolarHBondContact O-N 3.33Å; E404-G406 PolarHBondContact O-N 3.23Å; E404-V407 WeakPolarHBondContact O-CB 3.45Å; E404-V407 PolarHBondContact O-N 2.88Å; E404-A408 WeakPolarHBondContact O-CB 3.45Å; E404-A408 PolarHBondContact O-N 2.95Å
405I96.3Very high91.7Very high0 Ų053.1 Ų53.10%033%0.332CS..Hα-helixtrans-55.3-40.8171.6-71161000110.5M388 A390 L392 I397 V401 Y409 V415 T451 L454 I455M388-I405 HydrophobicContact CE-CG1 4.14Å; M388-I405 HydrophobicContact SD-CG1 4.3Å; A390-I405 HydrophobicContact CB-CD1 3.85Å; A390-I405 HydrophobicContact CB-CG1 3.99Å; L392-I405 HydrophobicContact CD2-CD1 4.3Å; I397-I405 HydrophobicContact CD1-CD1 3.7Å; V401-I405 HydrophobicContact CG1-CD1 3.9Å; V401-I405 HydrophobicContact CG1-CG1 4.44Å; V401-I405 WeakPolarHBondContact O-CD1 3.29Å; V401-I405 VanDerWaalsContact O-CG1 3.23Å; V401-I405 WeakPolarHBondContact O-CG1 3.36Å; V401-I405 PolarHBondContact O-N 3.26Å; I405-Y409 VanDerWaalsContact O-CB 3.3Å; I405-Y409 WeakPolarHBondContact O-CB 3.45Å; I405-Y409 PolarHBondContact O-N 2.87Å; I405-V415 HydrophobicContact CG1-CG1 4.4Å; I405-T451 HydrophobicContact CB-CG2 4.36Å; I405-T451 HydrophobicContact CD1-CG2 3.61Å; I405-T451 HydrophobicContact CG2-CG2 4.1Å; I405-L454 HydrophobicContact CG2-CB 4Å; I405-I455 HydrophobicContact CD1-CD1 3.89Å; I405-I455 HydrophobicContact CD1-CG1 4.28Å; I405-I455 HydrophobicContact CG1-CD1 4.46Å; I405-I455 HydrophobicContact CG1-CG1 4.4Å; I405-I455 HydrophobicContact CG2-CG1 3.75Å
406G96Very high92.6Very high26 Ų2646.5 Ų46.527%0.26830%0.297SS..Hα-helixtrans-62.1-43.3175.800000112.8A402 S403 E404 A410A402-G406 PolarHBondContact O-N 3.23Å; S403-G406 WeakPolarHBondContact O-CA 3.35Å; S403-G406 PolarHBondContact O-N 3.4Å; S403-G406 VanDerWaalsContact O-N 3.09Å; E404-G406 PolarHBondContact O-N 3.23Å; G406-A410 WeakPolarHBondContact O-CB 3.31Å; G406-A410 PolarHBondContact O-N 3.5Å
407V96.4Very high93.3Very high40 Ų4042.2 Ų42.224%0.24227%0.271CS..Hα-helixtrans-65.1-48.8176.2174.80000111.1T379 V382 L383 S403 E404 Y409 A410 K411T379-V407 HydrophobicContact CG2-CG1 4.19Å; V382-V407 HydrophobicContact CG1-CB 4.32Å; V382-V407 HydrophobicContact CG1-CG1 3.94Å; L383-V407 HydrophobicContact CD2-CG1 4.31Å; S403-V407 PolarHBondContact O-N 3.4Å; E404-V407 WeakPolarHBondContact O-CB 3.45Å; E404-V407 PolarHBondContact O-N 2.88Å; V407-Y409 PolarHBondContact O-N 2.98Å; V407-A410 PolarHBondContact O-N 2.91Å; V407-K411 WeakPolarHBondContact O-CB 3.32Å; V407-K411 WeakPolarHBondContact O-CG 3.37Å; V407-K411 PolarHBondContact O-N 2.88Å; V407-K411 VanDerWaalsContact O-N 3.1Å
408A95.4Very high93.7Very high0 Ų041.9 Ų41.90%027%0.27CS..Hα-helixtrans-57.4-49.417900000111V382 M388 E404 A410 K411 G412 I413 V415V382-A408 HydrophobicContact CG1-CB 4.11Å; M388-A408 HydrophobicContact SD-CB 3.86Å; E404-A408 WeakPolarHBondContact O-CB 3.45Å; E404-A408 PolarHBondContact O-N 2.95Å; A408-A410 PolarHBondContact O-N 2.84Å; A408-K411 CarbonylContact O-C 3.31Å; A408-K411 PolarHBondContact O-N 2.84Å; A408-K411 VanDerWaalsContact O-N 3.08Å; A408-G412 PolarHBondContact O-N 3.42Å; A408-I413 HydrophobicContact CB-CB 4.06Å; A408-I413 HydrophobicContact CB-CG2 4.47Å; A408-I413 PolarHBondContact O-N 2.97Å; A408-V415 HydrophobicContact CB-CG2 3.81Å
409Y94.7Very high93.9Very high97 Ų9738.8 Ų38.838%0.3825%0.251SS..Hα-helixtrans-57.7-47.4175.2174.1-98.7000112.2I405 V407 K411 G412 L454 L457 N458I405-Y409 VanDerWaalsContact O-CB 3.3Å; I405-Y409 WeakPolarHBondContact O-CB 3.45Å; I405-Y409 PolarHBondContact O-N 2.87Å; V407-Y409 PolarHBondContact O-N 2.98Å; Y409-K411 PolarHBondContact O-N 2.9Å; Y409-K411 VanDerWaalsContact O-N 3.11Å; Y409-G412 PolarHBondContact O-N 2.87Å; Y409-G412 VanDerWaalsContact O-N 3.16Å; Y409-L454 HydrophobicContact CD1-CD2 3.72Å; Y409-L454 HydrophobicContact CD2-CB 4.29Å; Y409-L454 HydrophobicContact CD2-CD2 4.32Å; Y409-L454 WeakPolarHBondContact CD2-O 3.09Å; Y409-L454 HydrophobicContact CE1-CD2 3.85Å; Y409-L454 HydrophobicContact CE2-CD2 4.47Å; Y409-L454 HydrophobicContact CG-CB 4.1Å; Y409-L454 HydrophobicContact CG-CD2 3.96Å; Y409-L454 HydrophobicContact CG-CG 4.45Å; Y409-L457 HydrophobicContact CD2-CB 4.34Å; Y409-L457 HydrophobicContact CE2-CB 3.66Å; Y409-L457 HydrophobicContact CE2-CD1 3.88Å; Y409-L457 HydrophobicContact CE2-CG 4.43Å; Y409-N458 HydrophobicContact CD2-CB 4.45Å
410A94.8Very high93.8Very high78 Ų7838.1 Ų38.165%0.64524%0.239SC*.Hα-helixtrans-62.5-19.6179.600000113.4G406 V407 A408G406-A410 WeakPolarHBondContact O-CB 3.31Å; G406-A410 PolarHBondContact O-N 3.5Å; V407-A410 PolarHBondContact O-N 2.91Å; A408-A410 PolarHBondContact O-N 2.84Å
411K94Very high93.5Very high141 Ų14137.5 Ų37.561%0.61323%0.228SC*.THydrogen-bonded Turntrans-107.93.5-178.3-66.4-77.3178.9-175.10113.6L383 V407 A408 Y409 I413L383-K411 HydrophobicContact CD2-CB 4.19Å; L383-K411 HydrophobicContact CD2-CD 3.63Å; L383-K411 HydrophobicContact CD2-CG 3.43Å; L383-K411 VanDerWaalsContact CD2-CG 3.43Å; V407-K411 WeakPolarHBondContact O-CB 3.32Å; V407-K411 WeakPolarHBondContact O-CG 3.37Å; V407-K411 PolarHBondContact O-N 2.88Å; V407-K411 VanDerWaalsContact O-N 3.1Å; A408-K411 CarbonylContact O-C 3.31Å; A408-K411 PolarHBondContact O-N 2.84Å; A408-K411 VanDerWaalsContact O-N 3.08Å; Y409-K411 PolarHBondContact O-N 2.9Å; Y409-K411 VanDerWaalsContact O-N 3.11Å; K411-I413 HydrophobicContact CB-CD1 4.2Å; K411-I413 HydrophobicContact CB-CG1 4.12Å; K411-I413 PolarHBondContact O-N 2.95Å
412G91.6Very high93Very high48 Ų4840.1 Ų40.150%0.49525%0.248SC..THydrogen-bonded Turntrans7216.1179.600000113.7A408 Y409 N458A408-G412 PolarHBondContact O-N 3.42Å; Y409-G412 PolarHBondContact O-N 2.87Å; Y409-G412 VanDerWaalsContact O-N 3.16Å; G412-N458 PolarHBondContact O-ND2 2.76Å
413I92Very high92.4Very high15 Ų1542.9 Ų42.98%0.07725%0.253CS..  trans-78124.7177.3-56.8177000107.8V382 S385 A408 K411 N458V382-I413 HydrophobicContact CG1-CD1 4.42Å; V382-I413 WeakPolarHBondContact O-CD1 3.42Å; S385-I413 WeakPolarHBondContact O-CG2 3.28Å; A408-I413 HydrophobicContact CB-CB 4.06Å; A408-I413 HydrophobicContact CB-CG2 4.47Å; A408-I413 PolarHBondContact O-N 2.97Å; K411-I413 HydrophobicContact CB-CD1 4.2Å; K411-I413 HydrophobicContact CB-CG1 4.12Å; K411-I413 PolarHBondContact O-N 2.95Å; I413-N458 VanDerWaalsContact C-ND2 3.29Å; I413-N458 PolarHBondContact O-ND2 3.25Å; I413-N458 VanDerWaalsContact O-ND2 3.12Å
414P94.1Very high91.6Very high32 Ų3242 Ų4221%0.20824%0.24CC..  trans-67.6143.8-178.924.6-30.8000111.6D386 L387 M388 N458 F475D386-P414 VanDerWaalsContact O-CD 3.31Å; D386-P414 WeakPolarHBondContact O-CD 3.32Å; D386-P414 WeakPolarHBondContact O-CG 3.41Å; L387-P414 HydrophobicContact CD1-CB 4.06Å; L387-P414 HydrophobicContact CD1-CG 3.91Å; M388-P414 PolarHBondContact N-O 3.27Å; P414-N458 CarbonylContact C-O 3.24Å; P414-N458 WeakPolarHBondContact CA-O 3.24Å; P414-F475 HydrophobicContact CB-CE2 4.42Å; P414-F475 HydrophobicContact CG-CE2 3.57Å; P414-F475 HydrophobicContact CG-CZ 3.89Å
415V95.6Very high90.9Very high2 Ų247 Ų471%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-121.8129.6-179.8-170.30000111.3M388 A390 I405 A408 I455 N458 G459 T460M388-V415 HydrophobicContact CB-CG1 4.32Å; M388-V415 HydrophobicContact CB-CG2 4.18Å; M388-V415 HydrophobicContact CG-CG1 4.41Å; M388-V415 CarbonylContact O-C 3.53Å; M388-V415 VanDerWaalsContact O-CA 3.3Å; M388-V415 WeakPolarHBondContact O-CA 3.33Å; M388-V415 HydrophobicContact SD-CG1 4.38Å; M388-V415 HydrophobicContact SD-CG2 4.35Å; A390-V415 HydrophobicContact CB-CG1 3.98Å; I405-V415 HydrophobicContact CG1-CG1 4.4Å; A408-V415 HydrophobicContact CB-CG2 3.81Å; V415-I455 HydrophobicContact CB-CG1 4.3Å; V415-I455 HydrophobicContact CB-CG2 4.15Å; V415-I455 HydrophobicContact CG1-CD1 4.37Å; V415-I455 HydrophobicContact CG1-CG1 3.96Å; V415-I455 HydrophobicContact CG1-CG2 4.21Å; V415-I455 WeakPolarHBondContact O-CG2 3.39Å; V415-N458 PolarHBondContact N-O 3.32Å; V415-G459 CarbonylContact O-C 3.34Å; V415-G459 WeakPolarHBondContact O-CA 3.3Å; V415-T460 PolarHBondContact O-N 3.36Å
416I96Very high90.3Very high9 Ų947.9 Ų47.95%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-103.6110.2166.5-55.1172.1000108.5L387 M388 V389 A390 T460 V462 L468 K471 I472L387-I416 HydrophobicContact CD1-CD1 4.13Å; L387-I416 HydrophobicContact CD1-CG1 4.09Å; L387-I416 HydrophobicContact CD2-CD1 3.93Å; L387-I416 HydrophobicContact CG-CD1 4.48Å; M388-I416 PolarHBondContact O-N 3.49Å; V389-I416 WeakPolarHBondContact CA-O 3.28Å; A390-I416 PolarHBondContact N-O 3.07Å; I416-T460 CarbonylContact C-O 3.32Å; I416-T460 WeakPolarHBondContact CA-O 3.42Å; I416-T460 HydrophobicContact CG1-CG2 4.27Å; I416-T460 HydrophobicContact CG2-CG2 4.14Å; I416-V462 HydrophobicContact CG2-CG1 4.06Å; I416-V462 HydrophobicContact CG2-CG2 3.82Å; I416-L468 HydrophobicContact CB-CD1 4.11Å; I416-L468 HydrophobicContact CG2-CD1 3.49Å; I416-L468 VanDerWaalsContact CG2-CD1 3.49Å; I416-K471 HydrophobicContact CD1-CB 3.87Å; I416-I472 HydrophobicContact CD1-CG1 4.01Å
417G94.8Very high89.6Confident0 Ų051 Ų510%029%0.286CS..EExtended strand (participates in β ladder)trans-83.2116173.800000111.5A390 T460 I461 V462A390-G417 CarbonylContact O-C 3.52Å; A390-G417 VanDerWaalsContact O-CA 3.29Å; A390-G417 WeakPolarHBondContact O-CA 3.39Å; G417-T460 PolarHBondContact N-O 2.7Å; G417-I461 CarbonylContact O-C 3.52Å; G417-I461 VanDerWaalsContact O-CA 3.28Å; G417-I461 WeakPolarHBondContact O-CA 3.39Å; G417-V462 PolarHBondContact O-N 3.28Å
418L93.3Very high89.2Confident14 Ų1455.6 Ų55.67%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-85.5120.4171.118063.8000109.7A390 L391 L392 T420 V462 L468A390-L418 PolarHBondContact O-N 3.16Å; L391-L418 HydrophobicContact CD1-CB 4.3Å; L391-L418 HydrophobicContact CD1-CD2 3.91Å; L391-L418 HydrophobicContact CD1-CG 4.13Å; L392-L418 WeakPolarHBondContact CB-O 3.4Å; L392-L418 PolarHBondContact N-O 3.46Å; L418-T420 HydrophobicContact CD1-CG2 3.69Å; L418-T420 HydrophobicContact CD2-CG2 4.47Å; L418-T420 HydrophobicContact CG-CG2 4.07Å; L418-V462 HydrophobicContact CD1-CG2 3.9Å; L418-L468 HydrophobicContact CB-CD2 4.32Å; L418-L468 HydrophobicContact CD1-CB 4.21Å; L418-L468 HydrophobicContact CD1-CD2 4.31Å; L418-L468 HydrophobicContact CD2-CD2 3.9Å; L418-L468 HydrophobicContact CG-CD2 4.4Å
419Y92.1Very high88.9Confident33 Ų3358.9 Ų58.913%0.12933%0.327CS..  trans-127.885.8179.6-178.5-136.4000111.7L392 D393 D421 Q424 H445 L447 V462 S463L392-Y419 HydrophobicContact CB-CD2 4.38Å; D393-Y419 WeakPolarHBondContact OD1-CA 3.15Å; D393-Y419 WeakPolarHBondContact OD1-CD2 3.47Å; Y419-D421 HydrophobicContact CD2-CB 4.09Å; Y419-D421 HydrophobicContact CE2-CB 3.36Å; Y419-Q424 HydrophobicContact CE1-CB 4.01Å; Y419-Q424 PolarHBondContact O-NE2 3.19Å; Y419-H445 AromaticContact CE2-CE1 3.85Å; Y419-H445 AromaticContact CE2-ND1 3.19Å; Y419-H445 WeakPolarHBondContact CE2-ND1 3.23Å; Y419-H445 AromaticContact CZ-ND1 3.62Å; Y419-H445 WeakPolarHBondContact OH-CB 3.3Å; Y419-H445 PolarHBondContact OH-ND1 2.91Å; Y419-L447 HydrophobicContact CD1-CD1 3.98Å; Y419-L447 HydrophobicContact CD2-CD1 4.02Å; Y419-L447 HydrophobicContact CE1-CD1 3.8Å; Y419-L447 HydrophobicContact CE2-CD1 3.88Å; Y419-L447 HydrophobicContact CE2-CG 4.45Å; Y419-L447 HydrophobicContact CG-CD1 4.09Å; Y419-V462 PolarHBondContact N-O 2.93Å; Y419-S463 VanDerWaalsContact O-CA 3.26Å; Y419-S463 WeakPolarHBondContact O-CA 3.36Å
420T87.4Confident88.7Confident59 Ų5963.8 Ų63.836%0.36234%0.344SS..  trans-95.9-2.7-174.236.80000114.3D393 L418 S422 Q424 S463D393-T420 PolarHBondContact OD1-N 2.97Å; D393-T420 WeakPolarHBondContact OD2-CB 3.32Å; D393-T420 PolarHBondContact OD2-N 3.35Å; D393-T420 PolarHBondContact OD2-OG1 2.84Å; L418-T420 HydrophobicContact CD1-CG2 3.69Å; L418-T420 HydrophobicContact CD2-CG2 4.47Å; L418-T420 HydrophobicContact CG-CG2 4.07Å; T420-S422 PolarHBondContact O-N 3.03Å; T420-Q424 VanDerWaalsContact C-NE2 3.33Å; T420-S463 WeakPolarHBondContact CG2-O 3.19Å
421D84.6Confident88.6Confident19 Ų1968 Ų6810%0.10235%0.348CS..  trans-55.3123.8-175.9-164.5-70.6000113.9D393 Y419 R423 Q424 H445D393-D421 PolarHBondContact OD1-N 3.03Å; D393-D421 VanDerWaalsContact OD1-N 3.1Å; D393-D421 PolarHBondContact OD2-N 2.85Å; Y419-D421 HydrophobicContact CD2-CB 4.09Å; Y419-D421 HydrophobicContact CE2-CB 3.36Å; D421-R423 PolarHBondContact O-N 3.23Å; D421-R423 VanDerWaalsContact O-N 3.09Å; D421-R423 WeakPolarHBondContact OD1-CA 3.4Å; D421-R423 WeakPolarHBondContact OD1-CB 3.26Å; D421-R423 VanDerWaalsContact OD1-CG 3.26Å; D421-R423 WeakPolarHBondContact OD1-CG 3.45Å; D421-R423 IonicContact OD1-CZ 2.95Å; D421-R423 PolarHBondContact OD1-N 3.08Å; D421-R423 IonicContact OD1-NE 3.98Å; D421-R423 PolarHBondContact OD1-NE 3.22Å; D421-R423 IonicContact OD1-NH2 3.02Å; D421-R423 IonicContact OD2-CZ 3.55Å; D421-R423 IonicContact OD2-NE 3.35Å; D421-R423 PolarHBondContact OD2-NE 3.11Å; D421-R423 IonicContact OD2-NH2 3.37Å; D421-R423 PolarHBondContact OD2-NH2 2.85Å; D421-Q424 WeakPolarHBondContact O-CB 3.38Å; D421-Q424 WeakPolarHBondContact O-CG 3.43Å; D421-Q424 PolarHBondContact O-N 3.4Å; D421-Q424 VanDerWaalsContact O-N 3.15Å; D421-Q424 PolarHBondContact O-NE2 2.9Å; D421-H445 IonicContact OD2-ND1 2.63Å
422S80.6Confident88.3Confident85 Ų8563.9 Ų63.959%0.59433%0.33SS*.G310 helixtrans-62.2-20.9-176.563.80000114.3T420 Q424 Q425T420-S422 PolarHBondContact O-N 3.03Å; S422-Q424 PolarHBondContact O-N 3.36Å; S422-Q424 VanDerWaalsContact O-N 3.08Å; S422-Q425 WeakPolarHBondContact O-CB 3.13Å; S422-Q425 WeakPolarHBondContact O-CG 3.44Å; S422-Q425 PolarHBondContact O-N 3.15Å
423R82.3Confident88.3Confident85 Ų8565.2 Ų65.232%0.32133%0.326SS..G310 helixtrans-69.5-1.9177.4-59.5170.2-76.9179.4-1.2113G394 D421 Q425 F444 H445G394-R423 PolarHBondContact O-NH2 2.95Å; D421-R423 PolarHBondContact O-N 3.23Å; D421-R423 VanDerWaalsContact O-N 3.09Å; D421-R423 WeakPolarHBondContact OD1-CA 3.4Å; D421-R423 WeakPolarHBondContact OD1-CB 3.26Å; D421-R423 VanDerWaalsContact OD1-CG 3.26Å; D421-R423 WeakPolarHBondContact OD1-CG 3.45Å; D421-R423 IonicContact OD1-CZ 2.95Å; D421-R423 PolarHBondContact OD1-N 3.08Å; D421-R423 IonicContact OD1-NE 3.98Å; D421-R423 PolarHBondContact OD1-NE 3.22Å; D421-R423 IonicContact OD1-NH2 3.02Å; D421-R423 IonicContact OD2-CZ 3.55Å; D421-R423 IonicContact OD2-NE 3.35Å; D421-R423 PolarHBondContact OD2-NE 3.11Å; D421-R423 IonicContact OD2-NH2 3.37Å; D421-R423 PolarHBondContact OD2-NH2 2.85Å; R423-Q425 PolarHBondContact O-N 3.13Å; R423-F444 WeakPolarHBondContact O-CD1 3.4Å; R423-H445 HydrophobicContact CB-CB 3.94Å; R423-H445 PolarHBondContact NH2-CD2 2.91Å; R423-H445 VanDerWaalsContact NH2-CD2 3.32Å
424Q77.9Confident88.3Confident62 Ų6270.8 Ų70.829%0.2935%0.352SS..G310 helixtrans-69.9-15.2165.269.8-169.2-76.100113.2Y419 T420 D421 S422Y419-Q424 HydrophobicContact CE1-CB 4.01Å; Y419-Q424 PolarHBondContact O-NE2 3.19Å; T420-Q424 VanDerWaalsContact C-NE2 3.33Å; D421-Q424 WeakPolarHBondContact O-CB 3.38Å; D421-Q424 WeakPolarHBondContact O-CG 3.43Å; D421-Q424 PolarHBondContact O-N 3.4Å; D421-Q424 VanDerWaalsContact O-N 3.15Å; D421-Q424 PolarHBondContact O-NE2 2.9Å; S422-Q424 PolarHBondContact O-N 3.36Å; S422-Q424 VanDerWaalsContact O-N 3.08Å
425Q79.8Confident88.2Confident141 Ų14170.3 Ų70.366%0.65935%0.35SS*.SBendtrans-85.5158.7179.9-59.9-177.32.600113.5S422 R423S422-Q425 WeakPolarHBondContact O-CB 3.13Å; S422-Q425 WeakPolarHBondContact O-CG 3.44Å; S422-Q425 PolarHBondContact O-N 3.15Å; R423-Q425 PolarHBondContact O-N 3.13Å
426G82.1Confident87.9Confident19 Ų1973.5 Ų73.520%0.19637%0.367CS..  trans79.417.3176.500000114.4D428 N429G426-D428 WeakPolarHBondContact CA-OD1 3.48Å; G426-D428 PolarHBondContact O-N 2.92Å; G426-N429 VanDerWaalsContact O-CB 3.28Å; G426-N429 WeakPolarHBondContact O-CB 3.45Å; G426-N429 PolarHBondContact O-N 3.44Å
427V81.6Confident87.7Confident92 Ų9281 Ų8156%0.55840%0.401SS*.THydrogen-bonded Turntrans-62.3-14.9172-67.30000113.4L433 F444V427-L433 WeakPolarHBondContact O-CD1 3.42Å; V427-F444 HydrophobicContact CB-CE1 4.43Å; V427-F444 HydrophobicContact CG1-CD1 4.13Å; V427-F444 HydrophobicContact CG1-CE1 3.7Å; V427-F444 HydrophobicContact CG1-CZ 4.42Å
428D88.1Confident87.6Confident136 Ų13684.8 Ų84.873%0.72743%0.425SS*.THydrogen-bonded Turntrans-92.3-10.2173.863-28.3000113.3G426 R430G426-D428 WeakPolarHBondContact CA-OD1 3.48Å; G426-D428 PolarHBondContact O-N 2.92Å; D428-R430 PolarHBondContact O-N 3.47Å; D428-R430 VanDerWaalsContact O-N 3.13Å
429N89.7Confident87.6Confident70 Ų7089.8 Ų89.837%0.37446%0.458SS..  trans-75.3105.4-180-172.6-41.1000110.7G426 K431 K432 L433G426-N429 VanDerWaalsContact O-CB 3.28Å; G426-N429 WeakPolarHBondContact O-CB 3.45Å; G426-N429 PolarHBondContact O-N 3.44Å; N429-K431 VanDerWaalsContact C-N 3.26Å; N429-K431 PolarHBondContact O-N 3.31Å; N429-K431 VanDerWaalsContact O-N 3.17Å; N429-K431 WeakPolarHBondContact OD1-CB 3.31Å; N429-K431 PolarHBondContact OD1-N 3.25Å; N429-K432 HydrophobicContact CB-CB 4.15Å; N429-K432 HydrophobicContact CB-CD 4.13Å; N429-K432 HydrophobicContact CB-CG 3.99Å; N429-K432 WeakPolarHBondContact O-CB 3.21Å; N429-K432 PolarHBondContact O-N 2.86Å; N429-K432 PolarHBondContact OD1-N 3.21Å; N429-L433 PolarHBondContact O-N 3.18Å
430R91.4Very high87.4Confident199 Ų19993.4 Ų93.475%0.75150%0.495SS*.Hα-helixtrans-53-38.9-179.2-68.4-173.5179.5176.1-0113.9D428 L433 E434D428-R430 PolarHBondContact O-N 3.47Å; D428-R430 VanDerWaalsContact O-N 3.13Å; R430-L433 PolarHBondContact O-N 3.11Å; R430-E434 WeakPolarHBondContact O-CB 3.35Å; R430-E434 VanDerWaalsContact O-CG 3.28Å; R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 2.99Å
431K91.5Very high87.6Confident167 Ų16795 Ų9573%0.72650%0.498SS*.Hα-helixtrans-67.5-38.6179.1-67.1-174.8177.5-177.60112N429 E434 A435N429-K431 VanDerWaalsContact C-N 3.26Å; N429-K431 PolarHBondContact O-N 3.31Å; N429-K431 VanDerWaalsContact O-N 3.17Å; N429-K431 WeakPolarHBondContact OD1-CB 3.31Å; N429-K431 PolarHBondContact OD1-N 3.25Å; K431-E434 PolarHBondContact O-N 3.49Å; K431-A435 VanDerWaalsContact O-CB 3.3Å; K431-A435 WeakPolarHBondContact O-CB 3.19Å; K431-A435 PolarHBondContact O-N 3.08Å
432K88.8Confident87.8Confident55 Ų5598.7 Ų98.724%0.23952%0.518CS..Hα-helixtrans-63.5-43.6173.9-69.7-170.2175.1-172.20110.8N429 A435 L436 F444N429-K432 HydrophobicContact CB-CB 4.15Å; N429-K432 HydrophobicContact CB-CD 4.13Å; N429-K432 HydrophobicContact CB-CG 3.99Å; N429-K432 WeakPolarHBondContact O-CB 3.21Å; N429-K432 PolarHBondContact O-N 2.86Å; N429-K432 PolarHBondContact OD1-N 3.21Å; K432-A435 PolarHBondContact O-N 2.75Å; K432-L436 PolarHBondContact O-N 3Å; K432-F444 HydrophobicContact CB-CE2 4.34Å; K432-F444 HydrophobicContact CB-CZ 4.03Å; K432-F444 HydrophobicContact CD-CZ 4.29Å
433L90.4Very high88Confident76 Ų7699 Ų9940%0.39851%0.51SS..Hα-helixtrans-64.7-41.2177.7-65.2177.4000112.6V427 N429 R430 L436 F444V427-L433 WeakPolarHBondContact O-CD1 3.42Å; N429-L433 PolarHBondContact O-N 3.18Å; R430-L433 PolarHBondContact O-N 3.11Å; L433-L436 HydrophobicContact CD2-CD1 4.33Å; L433-L436 WeakPolarHBondContact O-CB 3.47Å; L433-L436 PolarHBondContact O-N 3.37Å; L433-F444 HydrophobicContact CD2-CE2 4.46Å; L433-F444 HydrophobicContact CD2-CZ 4.42Å
434E92.3Very high88.2Confident132 Ų13296.8 Ų96.862%0.61750%0.503SS*.Hα-helixtrans-64.8-40.2174.9-74.8167.7-16900111.6R430 K431 L436 Q437R430-E434 WeakPolarHBondContact O-CB 3.35Å; R430-E434 VanDerWaalsContact O-CG 3.28Å; R430-E434 WeakPolarHBondContact O-CG 3.3Å; R430-E434 PolarHBondContact O-N 2.99Å; K431-E434 PolarHBondContact O-N 3.49Å; E434-L436 PolarHBondContact O-N 3.32Å; E434-Q437 WeakPolarHBondContact O-CB 3.44Å; E434-Q437 PolarHBondContact O-N 2.94Å; E434-Q437 VanDerWaalsContact O-N 3.13Å
435A91.5Very high88.5Confident22 Ų2294.6 Ų94.618%0.18249%0.493CS..Hα-helixtrans-60.1-29.6178.600000112.8K431 K432 Q437 T438 E441K431-A435 VanDerWaalsContact O-CB 3.3Å; K431-A435 WeakPolarHBondContact O-CB 3.19Å; K431-A435 PolarHBondContact O-N 3.08Å; K432-A435 PolarHBondContact O-N 2.75Å; A435-Q437 PolarHBondContact O-N 2.8Å; A435-T438 WeakPolarHBondContact O-CB 3.44Å; A435-T438 PolarHBondContact O-N 2.99Å; A435-E441 HydrophobicContact CB-CB 4.14Å; A435-E441 VanDerWaalsContact O-CB 3.27Å; A435-E441 WeakPolarHBondContact O-CB 3.29Å
436L89.9Confident88.8Confident68 Ų6894.8 Ų94.836%0.35649%0.488SS..THydrogen-bonded Turntrans-57.2-19.3175.8-65.7176.3000114.4K432 L433 E434 T438 N442 F444K432-L436 PolarHBondContact O-N 3Å; L433-L436 HydrophobicContact CD2-CD1 4.33Å; L433-L436 WeakPolarHBondContact O-CB 3.47Å; L433-L436 PolarHBondContact O-N 3.37Å; E434-L436 PolarHBondContact O-N 3.32Å; L436-T438 VanDerWaalsContact C-N 3.26Å; L436-N442 HydrophobicContact CD2-CB 3.95Å; L436-N442 WeakPolarHBondContact CD2-OD1 3.4Å; L436-F444 HydrophobicContact CD1-CD2 4.23Å; L436-F444 HydrophobicContact CD1-CE2 3.96Å; L436-F444 HydrophobicContact CD2-CD2 4.03Å; L436-F444 HydrophobicContact CD2-CE2 4.26Å; L436-F444 HydrophobicContact CG-CE2 4.3Å
437Q92.4Very high89Confident166 Ų16695.4 Ų95.478%0.77649%0.487SS*.THydrogen-bonded Turntrans-77.5-12175-58.1-56.5-56.100113.1E434 A435E434-Q437 WeakPolarHBondContact O-CB 3.44Å; E434-Q437 PolarHBondContact O-N 2.94Å; E434-Q437 VanDerWaalsContact O-N 3.13Å; A435-Q437 PolarHBondContact O-N 2.8Å
438T92.3Very high89.4Confident80 Ų8094.2 Ų94.249%0.49148%0.477SS..SBendtrans-98.7128.6176.7-550000109.2A435 L436 A440 E441A435-T438 WeakPolarHBondContact O-CB 3.44Å; A435-T438 PolarHBondContact O-N 2.99Å; L436-T438 VanDerWaalsContact C-N 3.26Å; T438-A440 PolarHBondContact O-N 3.4Å; T438-E441 HydrophobicContact CG2-CG 3.75Å; T438-E441 WeakPolarHBondContact O-CB 3.25Å; T438-E441 PolarHBondContact O-N 2.6Å
439P92.6Very high89.6Confident119 Ų11994.2 Ų94.277%0.77348%0.477SS*.THydrogen-bonded Turntrans-54.2139.5177.4-26.835000112.4E441P439-E441 VanDerWaalsContact C-N 3.3Å; P439-E441 PolarHBondContact O-N 2.79Å
440A89.2Confident89.8Confident109 Ų10999 Ų9990%0.90149%0.491SS*.THydrogen-bonded Turntrans66.417.318000000116.6T438T438-A440 PolarHBondContact O-N 3.4Å
441E91.3Very high89.9Confident94 Ų9490.2 Ų90.244%0.43946%0.459SS..  trans-105.417.5177.7-67-65.9158.900113.9A435 T438 P439 Q443A435-E441 HydrophobicContact CB-CB 4.14Å; A435-E441 VanDerWaalsContact O-CB 3.27Å; A435-E441 WeakPolarHBondContact O-CB 3.29Å; T438-E441 HydrophobicContact CG2-CG 3.75Å; T438-E441 WeakPolarHBondContact O-CB 3.25Å; T438-E441 PolarHBondContact O-N 2.6Å; P439-E441 VanDerWaalsContact C-N 3.3Å; P439-E441 PolarHBondContact O-N 2.79Å; E441-Q443 PolarHBondContact O-N 2.8Å
442N87.7Confident90Very high95 Ų9582.9 Ų82.951%0.50843%0.428SS..  trans-74.8110177.1-174.311.9000111.4L436 F444L436-N442 HydrophobicContact CD2-CB 3.95Å; L436-N442 WeakPolarHBondContact CD2-OD1 3.4Å; N442-F444 WeakPolarHBondContact OD1-CB 3.41Å; N442-F444 PolarHBondContact OD1-N 2.85Å; N442-F444 PolarHBondContact OD1-O 3.27Å
443Q85.5Confident90.3Very high92 Ų9281.5 Ų81.543%0.4343%0.43SS..  trans-92.2-5.8177.9-64.517253.800113.3E441E441-Q443 PolarHBondContact O-N 2.8Å
444F86.5Confident90.6Very high38 Ų3878.7 Ų78.717%0.16742%0.415CS..SBendtrans-91.2149.6178.9-55.7-77.5000110.6R423 V427 K432 L433 L436 N442R423-F444 WeakPolarHBondContact O-CD1 3.4Å; V427-F444 HydrophobicContact CB-CE1 4.43Å; V427-F444 HydrophobicContact CG1-CD1 4.13Å; V427-F444 HydrophobicContact CG1-CE1 3.7Å; V427-F444 HydrophobicContact CG1-CZ 4.42Å; K432-F444 HydrophobicContact CB-CE2 4.34Å; K432-F444 HydrophobicContact CB-CZ 4.03Å; K432-F444 HydrophobicContact CD-CZ 4.29Å; L433-F444 HydrophobicContact CD2-CE2 4.46Å; L433-F444 HydrophobicContact CD2-CZ 4.42Å; L436-F444 HydrophobicContact CD1-CD2 4.23Å; L436-F444 HydrophobicContact CD1-CE2 3.96Å; L436-F444 HydrophobicContact CD2-CD2 4.03Å; L436-F444 HydrophobicContact CD2-CE2 4.26Å; L436-F444 HydrophobicContact CG-CE2 4.3Å; N442-F444 WeakPolarHBondContact OD1-CB 3.41Å; N442-F444 PolarHBondContact OD1-N 2.85Å; N442-F444 PolarHBondContact OD1-O 3.27Å
445H84.5Confident90.8Very high17 Ų1772.4 Ų72.48%0.07939%0.386CS..PPolyproline II helixtrans-67.3141.2176.6176.5-144.8000111.5G394 Y419 D421 R423G394-H445 PolarHBondContact O-NE2 3.1Å; Y419-H445 AromaticContact CE2-CE1 3.85Å; Y419-H445 AromaticContact CE2-ND1 3.19Å; Y419-H445 WeakPolarHBondContact CE2-ND1 3.23Å; Y419-H445 AromaticContact CZ-ND1 3.62Å; Y419-H445 WeakPolarHBondContact OH-CB 3.3Å; Y419-H445 PolarHBondContact OH-ND1 2.91Å; D421-H445 IonicContact OD2-ND1 2.63Å; R423-H445 HydrophobicContact CB-CB 3.94Å; R423-H445 PolarHBondContact NH2-CD2 2.91Å; R423-H445 VanDerWaalsContact NH2-CD2 3.32Å
446Y85.7Confident90.9Very high145 Ų14577.8 Ų77.857%0.56941%0.405SS*.PPolyproline II helixtrans-90124.7175172.9-95.5000110.8T396T396-Y446 HydrophobicContact CG2-CD1 4.44Å
447L86.4Confident91Very high32 Ų3280.3 Ų80.317%0.16842%0.418CS..  trans-118139.8169.4-77.4171.8000110.5L392 Y419 L449 V452L392-L447 HydrophobicContact CB-CD2 4.15Å; L392-L447 WeakPolarHBondContact O-CD2 3.5Å; Y419-L447 HydrophobicContact CD1-CD1 3.98Å; Y419-L447 HydrophobicContact CD2-CD1 4.02Å; Y419-L447 HydrophobicContact CE1-CD1 3.8Å; Y419-L447 HydrophobicContact CE2-CD1 3.88Å; Y419-L447 HydrophobicContact CE2-CG 4.45Å; Y419-L447 HydrophobicContact CG-CD1 4.09Å; L447-L449 PolarHBondContact O-N 2.94Å; L447-L449 VanDerWaalsContact O-N 3.11Å; L447-V452 HydrophobicContact CB-CG2 4.11Å; L447-V452 HydrophobicContact CD1-CG2 4.35Å
448N89.4Confident90.9Very high66 Ų6675.1 Ų75.135%0.35340%0.396SS..  trans-69.9107.8172.8-173.3-35.1000109.8Y450 T451 V452N448-Y450 PolarHBondContact O-N 3.36Å; N448-Y450 VanDerWaalsContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.26Å; N448-Y450 PolarHBondContact OD1-N 3.4Å; N448-T451 PolarHBondContact O-N 3.32Å; N448-V452 PolarHBondContact O-N 3.14Å
449L92.3Very high90.9Very high137 Ų13773 Ų7372%0.71739%0.39SS*.Hα-helixtrans-64.6-22.8-176.5-64.7-176.6000113.8L447 G453L447-L449 PolarHBondContact O-N 2.94Å; L447-L449 VanDerWaalsContact O-N 3.11Å; L449-G453 PolarHBondContact O-N 2.69Å
450Y93.9Very high91Very high171 Ų17169.9 Ų69.967%0.67137%0.369SS*.Hα-helixtrans-67.2-51.8173.7-178.6-96.5000110.3N448 V452 G453 L454N448-Y450 PolarHBondContact O-N 3.36Å; N448-Y450 VanDerWaalsContact OD1-CB 3.27Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.26Å; N448-Y450 PolarHBondContact OD1-N 3.4Å; Y450-V452 PolarHBondContact O-N 2.91Å; Y450-G453 WeakPolarHBondContact O-CA 3.29Å; Y450-G453 PolarHBondContact O-N 3.48Å; Y450-L454 HydrophobicContact CD1-CD1 4.37Å; Y450-L454 HydrophobicContact CE1-CD1 3.86Å; Y450-L454 HydrophobicContact CE1-CD2 4.39Å; Y450-L454 HydrophobicContact CE1-CG 4.22Å; Y450-L454 PolarHBondContact O-N 2.8Å
451T94Very high91.3Very high13 Ų1366.8 Ų66.88%0.0834%0.337CS..Hα-helixtrans-60.2-46177.3-52.70000111.6I397 A402 I405 N448 G453 L454 I455I397-T451 HydrophobicContact CD1-CG2 3.92Å; A402-T451 HydrophobicContact CB-CG2 4.23Å; I405-T451 HydrophobicContact CB-CG2 4.36Å; I405-T451 HydrophobicContact CD1-CG2 3.61Å; I405-T451 HydrophobicContact CG2-CG2 4.1Å; N448-T451 PolarHBondContact O-N 3.32Å; T451-G453 PolarHBondContact O-N 2.96Å; T451-L454 PolarHBondContact O-N 3.36Å; T451-I455 PolarHBondContact O-N 3.07Å
452V93.7Very high91.4Very high14 Ų1462.6 Ų62.69%0.08532%0.318CS..Hα-helixtrans-58.4-38.2173.5163.10000111.7L447 N448 Y450 I455 K456 I461L447-V452 HydrophobicContact CB-CG2 4.11Å; L447-V452 HydrophobicContact CD1-CG2 4.35Å; N448-V452 PolarHBondContact O-N 3.14Å; Y450-V452 PolarHBondContact O-N 2.91Å; V452-I455 PolarHBondContact O-N 3Å; V452-K456 HydrophobicContact CG1-CD 4.08Å; V452-K456 WeakPolarHBondContact O-CG 3.19Å; V452-K456 PolarHBondContact O-N 3.29Å; V452-I461 HydrophobicContact CB-CD1 4.32Å; V452-I461 HydrophobicContact CG1-CD1 3.65Å; V452-I461 HydrophobicContact CG2-CD1 4.21Å
453G95.4Very high91.5Very high26 Ų2661 Ų6127%0.26831%0.314SS..Hα-helixtrans-62.3-43.817600000112.5L449 Y450 T451 I455 K456 L457L449-G453 PolarHBondContact O-N 2.69Å; Y450-G453 WeakPolarHBondContact O-CA 3.29Å; Y450-G453 PolarHBondContact O-N 3.48Å; T451-G453 PolarHBondContact O-N 2.96Å; G453-I455 VanDerWaalsContact C-N 3.32Å; G453-I455 PolarHBondContact O-N 2.96Å; G453-K456 PolarHBondContact O-N 2.88Å; G453-L457 VanDerWaalsContact O-CG 3.24Å; G453-L457 WeakPolarHBondContact O-CG 3.45Å; G453-L457 PolarHBondContact O-N 2.84Å
454L96.3Very high91.6Very high17 Ų1759.4 Ų59.49%0.08931%0.31CS..Hα-helixtrans-59.3-43.3177.4-61.4-173.4000111.9I405 Y409 Y450 T451 L457I405-L454 HydrophobicContact CG2-CB 4Å; Y409-L454 HydrophobicContact CD1-CD2 3.72Å; Y409-L454 HydrophobicContact CD2-CB 4.29Å; Y409-L454 HydrophobicContact CD2-CD2 4.32Å; Y409-L454 WeakPolarHBondContact CD2-O 3.09Å; Y409-L454 HydrophobicContact CE1-CD2 3.85Å; Y409-L454 HydrophobicContact CE2-CD2 4.47Å; Y409-L454 HydrophobicContact CG-CB 4.1Å; Y409-L454 HydrophobicContact CG-CD2 3.96Å; Y409-L454 HydrophobicContact CG-CG 4.45Å; Y450-L454 HydrophobicContact CD1-CD1 4.37Å; Y450-L454 HydrophobicContact CE1-CD1 3.86Å; Y450-L454 HydrophobicContact CE1-CD2 4.39Å; Y450-L454 HydrophobicContact CE1-CG 4.22Å; Y450-L454 PolarHBondContact O-N 2.8Å; T451-L454 PolarHBondContact O-N 3.36Å; L454-L457 PolarHBondContact O-N 2.75Å
455I95.6Very high91.6Very high0 Ų060.2 Ų60.20%031%0.314CS..Hα-helixtrans-60.4-52.5175.1-60.8175.4000110.3L392 I405 V415 T451 V452 G453 L457 N458 G459 T460 I461L392-I455 HydrophobicContact CD1-CD1 3.98Å; L392-I455 HydrophobicContact CD2-CD1 3.72Å; L392-I455 HydrophobicContact CG-CD1 4.44Å; I405-I455 HydrophobicContact CD1-CD1 3.89Å; I405-I455 HydrophobicContact CD1-CG1 4.28Å; I405-I455 HydrophobicContact CG1-CD1 4.46Å; I405-I455 HydrophobicContact CG1-CG1 4.4Å; I405-I455 HydrophobicContact CG2-CG1 3.75Å; V415-I455 HydrophobicContact CB-CG1 4.3Å; V415-I455 HydrophobicContact CB-CG2 4.15Å; V415-I455 HydrophobicContact CG1-CD1 4.37Å; V415-I455 HydrophobicContact CG1-CG1 3.96Å; V415-I455 HydrophobicContact CG1-CG2 4.21Å; V415-I455 WeakPolarHBondContact O-CG2 3.39Å; T451-I455 PolarHBondContact O-N 3.07Å; V452-I455 PolarHBondContact O-N 3Å; G453-I455 VanDerWaalsContact C-N 3.32Å; G453-I455 PolarHBondContact O-N 2.96Å; I455-L457 PolarHBondContact O-N 2.87Å; I455-N458 CarbonylContact O-C 3.49Å; I455-N458 VanDerWaalsContact O-C 3.24Å; I455-N458 PolarHBondContact O-N 3.25Å; I455-N458 VanDerWaalsContact O-N 3.15Å; I455-G459 CarbonylContact O-C 3.46Å; I455-G459 WeakPolarHBondContact O-CA 3.29Å; I455-G459 PolarHBondContact O-N 3.44Å; I455-T460 VanDerWaalsContact CG2-O 3.3Å; I455-T460 WeakPolarHBondContact CG2-O 3.38Å; I455-I461 HydrophobicContact CG2-CG1 4.04Å
456K94.3Very high91.7Very high135 Ų13566.4 Ų66.459%0.58734%0.341SS*.Hα-helixtrans-66-21.4-175.8-71.6-178.3179-175.80114.1V452 G453 I461V452-K456 HydrophobicContact CG1-CD 4.08Å; V452-K456 WeakPolarHBondContact O-CG 3.19Å; V452-K456 PolarHBondContact O-N 3.29Å; G453-K456 PolarHBondContact O-N 2.88Å; K456-I461 HydrophobicContact CG-CD1 4.37Å; K456-I461 HydrophobicContact CG-CG1 4.36Å
457L92.7Very high91.9Very high120 Ų12061.9 Ų61.963%0.62833%0.329SS*.Hα-helixtrans-75.5-24.8176.7-75.8167.8000112.9Y409 G453 L454 I455Y409-L457 HydrophobicContact CD2-CB 4.34Å; Y409-L457 HydrophobicContact CE2-CB 3.66Å; Y409-L457 HydrophobicContact CE2-CD1 3.88Å; Y409-L457 HydrophobicContact CE2-CG 4.43Å; G453-L457 VanDerWaalsContact O-CG 3.24Å; G453-L457 WeakPolarHBondContact O-CG 3.45Å; G453-L457 PolarHBondContact O-N 2.84Å; L454-L457 PolarHBondContact O-N 2.75Å; I455-L457 PolarHBondContact O-N 2.87Å
458N90.8Very high92.2Very high57 Ų5760.4 Ų60.431%0.30532%0.321SS..SBendtrans-146.757.7179.9-167.944.8000110Y409 G412 I413 P414 V415 I455Y409-N458 HydrophobicContact CD2-CB 4.45Å; G412-N458 PolarHBondContact O-ND2 2.76Å; I413-N458 VanDerWaalsContact C-ND2 3.29Å; I413-N458 PolarHBondContact O-ND2 3.25Å; I413-N458 VanDerWaalsContact O-ND2 3.12Å; P414-N458 CarbonylContact C-O 3.24Å; P414-N458 WeakPolarHBondContact CA-O 3.24Å; V415-N458 PolarHBondContact N-O 3.32Å; I455-N458 CarbonylContact O-C 3.49Å; I455-N458 VanDerWaalsContact O-C 3.24Å; I455-N458 PolarHBondContact O-N 3.25Å; I455-N458 VanDerWaalsContact O-N 3.15Å
459G92.3Very high92.2Very high37 Ų3759 Ų5938%0.38131%0.313SS..EExtended strand (participates in β ladder)trans157.6-163-167.800000113.4V415 I455V415-G459 CarbonylContact O-C 3.34Å; V415-G459 WeakPolarHBondContact O-CA 3.3Å; I455-G459 CarbonylContact O-C 3.46Å; I455-G459 WeakPolarHBondContact O-CA 3.29Å; I455-G459 PolarHBondContact O-N 3.44Å
460T94.6Very high92Very high52 Ų5257 Ų5732%0.31930%0.3SS..EExtended strand (participates in β ladder)trans-149.8165.7-178-167.10000112.2V415 I416 G417 I455 V462 K471V415-T460 PolarHBondContact O-N 3.36Å; I416-T460 CarbonylContact C-O 3.32Å; I416-T460 WeakPolarHBondContact CA-O 3.42Å; I416-T460 HydrophobicContact CG1-CG2 4.27Å; I416-T460 HydrophobicContact CG2-CG2 4.14Å; G417-T460 PolarHBondContact N-O 2.7Å; I455-T460 VanDerWaalsContact CG2-O 3.3Å; I455-T460 WeakPolarHBondContact CG2-O 3.38Å; T460-V462 HydrophobicContact CG2-CG1 4.21Å; T460-K471 HydrophobicContact CG2-CG 4.48Å
461I94.1Very high91.7Very high45 Ų4553.5 Ų53.523%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-116.7132.6171.3-62.8-172.2000108.7L392 G417 V452 I455 K456L392-I461 HydrophobicContact CD1-CD1 3.83Å; L392-I461 HydrophobicContact CD1-CG1 4.27Å; L392-I461 HydrophobicContact CD1-CG2 4.41Å; G417-I461 CarbonylContact O-C 3.52Å; G417-I461 VanDerWaalsContact O-CA 3.28Å; G417-I461 WeakPolarHBondContact O-CA 3.39Å; V452-I461 HydrophobicContact CB-CD1 4.32Å; V452-I461 HydrophobicContact CG1-CD1 3.65Å; V452-I461 HydrophobicContact CG2-CD1 4.21Å; I455-I461 HydrophobicContact CG2-CG1 4.04Å; K456-I461 HydrophobicContact CG-CD1 4.37Å; K456-I461 HydrophobicContact CG-CG1 4.36Å
462V93.5Very high91.5Very high6 Ų653.2 Ų53.24%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-120.5143.1179.5-610000109.5I416 G417 L418 Y419 T460 V467 L468 K471I416-V462 HydrophobicContact CG2-CG1 4.06Å; I416-V462 HydrophobicContact CG2-CG2 3.82Å; G417-V462 PolarHBondContact O-N 3.28Å; L418-V462 HydrophobicContact CD1-CG2 3.9Å; Y419-V462 PolarHBondContact N-O 2.93Å; T460-V462 HydrophobicContact CG2-CG1 4.21Å; V462-V467 HydrophobicContact CB-CB 4.29Å; V462-V467 HydrophobicContact CB-CG1 3.99Å; V462-V467 HydrophobicContact CG1-CB 4.49Å; V462-V467 HydrophobicContact CG1-CG1 3.71Å; V462-L468 HydrophobicContact CG2-CB 3.78Å; V462-L468 HydrophobicContact CG2-CD1 4.19Å; V462-K471 HydrophobicContact CG1-CG 3.96Å
463S90.2Very high91.1Very high61 Ų6157 Ų5743%0.42730%0.303SS..SBendtrans-101.1-1.8-173.661.50000114.4Y419 T420Y419-S463 VanDerWaalsContact O-CA 3.26Å; Y419-S463 WeakPolarHBondContact O-CA 3.36Å; T420-S463 WeakPolarHBondContact CG2-O 3.19Å
464T87.8Confident90.5Very high58 Ų5859 Ų5936%0.35631%0.313SS..SBendtrans-143.5150.2-18068.70000110.4K466 V467 L468T464-K466 VanDerWaalsContact C-N 3.26Å; T464-K466 PolarHBondContact O-N 3.43Å; T464-V467 PolarHBondContact O-N 3.16Å; T464-V467 VanDerWaalsContact OG1-CG2 3.27Å; T464-V467 WeakPolarHBondContact OG1-CG2 3.26Å; T464-V467 PolarHBondContact OG1-N 2.98Å; T464-L468 PolarHBondContact O-N 3.1Å
465E86.6Confident90Very high55 Ų5560.7 Ų60.726%0.25732%0.32SS..Hα-helixtrans-58.5-38.4173.9-172.4-173.3-173.700111.7A340 K343 V467 L468 L469A340-E465 VanDerWaalsContact CA-OE1 3.27Å; A340-E465 WeakPolarHBondContact CA-OE1 3.46Å; A340-E465 HydrophobicContact CB-CG 4.41Å; A340-E465 PolarHBondContact N-OE1 3.35Å; K343-E465 VanDerWaalsContact CD-OE1 3.28Å; K343-E465 WeakPolarHBondContact CD-OE1 3.34Å; K343-E465 WeakPolarHBondContact CE-OE1 3.47Å; K343-E465 IonicContact NZ-OE1 2.85Å; K343-E465 PolarHBondContact NZ-OE1 3.41Å; K343-E465 IonicContact NZ-OE2 3.36Å; K343-E465 PolarHBondContact NZ-OE2 2.96Å; E465-V467 PolarHBondContact O-N 3.29Å; E465-L468 VanDerWaalsContact O-CB 3.31Å; E465-L468 WeakPolarHBondContact O-CB 3.49Å; E465-L468 PolarHBondContact O-N 2.75Å; E465-L469 HydrophobicContact CG-CD1 4.5Å; E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.15Å
466K87.1Confident89.2Confident148 Ų14862.7 Ų62.764%0.64333%0.33SS*.Hα-helixtrans-57.4-47.9176.5-177.2-179.2174.1-173.90112.1T464 L468 L469 E470T464-K466 VanDerWaalsContact C-N 3.26Å; T464-K466 PolarHBondContact O-N 3.43Å; K466-L468 VanDerWaalsContact C-N 3.31Å; K466-L469 PolarHBondContact O-N 3.21Å; K466-E470 WeakPolarHBondContact CE-OE1 3.46Å; K466-E470 WeakPolarHBondContact O-CG 3.38Å; K466-E470 PolarHBondContact O-N 3.09Å
467V89.7Confident88.1Confident50 Ų5061.5 Ų61.530%0.30333%0.327SS..Hα-helixtrans-71.4-30.1-179.7178.90000110.9V462 T464 E465 K471V462-V467 HydrophobicContact CB-CB 4.29Å; V462-V467 HydrophobicContact CB-CG1 3.99Å; V462-V467 HydrophobicContact CG1-CB 4.49Å; V462-V467 HydrophobicContact CG1-CG1 3.71Å; T464-V467 PolarHBondContact O-N 3.16Å; T464-V467 VanDerWaalsContact OG1-CG2 3.27Å; T464-V467 WeakPolarHBondContact OG1-CG2 3.26Å; T464-V467 PolarHBondContact OG1-N 2.98Å; E465-V467 PolarHBondContact O-N 3.29Å; V467-K471 HydrophobicContact CG1-CG 4.41Å; V467-K471 WeakPolarHBondContact O-CB 3.49Å; V467-K471 WeakPolarHBondContact O-CG 3.05Å; V467-K471 PolarHBondContact O-N 3.09Å
468L91.2Very high86.8Confident1 Ų157 Ų571%0.00531%0.31CS..Hα-helixtrans-58.4-52.6169.8173.664.3000111.1I344 V389 I416 L418 V462 T464 E465 K466 E470 K471 I472I344-L468 HydrophobicContact CD1-CD2 4.47Å; V389-L468 HydrophobicContact CG1-CD1 3.83Å; V389-L468 HydrophobicContact CG1-CD2 3.97Å; V389-L468 HydrophobicContact CG2-CD1 4.23Å; I416-L468 HydrophobicContact CB-CD1 4.11Å; I416-L468 HydrophobicContact CG2-CD1 3.49Å; I416-L468 VanDerWaalsContact CG2-CD1 3.49Å; L418-L468 HydrophobicContact CB-CD2 4.32Å; L418-L468 HydrophobicContact CD1-CB 4.21Å; L418-L468 HydrophobicContact CD1-CD2 4.31Å; L418-L468 HydrophobicContact CD2-CD2 3.9Å; L418-L468 HydrophobicContact CG-CD2 4.4Å; V462-L468 HydrophobicContact CG2-CB 3.78Å; V462-L468 HydrophobicContact CG2-CD1 4.19Å; T464-L468 PolarHBondContact O-N 3.1Å; E465-L468 VanDerWaalsContact O-CB 3.31Å; E465-L468 WeakPolarHBondContact O-CB 3.49Å; E465-L468 PolarHBondContact O-N 2.75Å; K466-L468 VanDerWaalsContact C-N 3.31Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 2.67Å; L468-K471 PolarHBondContact O-N 3.27Å; L468-K471 VanDerWaalsContact O-N 3.13Å; L468-I472 HydrophobicContact CD1-CD1 3.82Å; L468-I472 HydrophobicContact CD1-CG1 4.17Å; L468-I472 HydrophobicContact CG-CD1 3.86Å; L468-I472 WeakPolarHBondContact O-CG1 3.45Å; L468-I472 PolarHBondContact O-N 3.17Å
469L89.6Confident85.2Confident37 Ų3757.3 Ų57.319%0.19431%0.313CS..Hα-helixtrans-60.5-43.1179.9-63.3171.9000111.4K343 I344 I347 E465 K466 K471 I472 Q473K343-L469 HydrophobicContact CB-CD1 4.03Å; K343-L469 HydrophobicContact CB-CD2 4.03Å; K343-L469 HydrophobicContact CD-CD1 4.18Å; I344-L469 HydrophobicContact CG1-CD2 3.71Å; I347-L469 HydrophobicContact CD1-CB 4.49Å; I347-L469 HydrophobicContact CD1-CD2 3.89Å; E465-L469 HydrophobicContact CG-CD1 4.5Å; E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.15Å; K466-L469 PolarHBondContact O-N 3.21Å; L469-K471 VanDerWaalsContact C-N 3.33Å; L469-K471 PolarHBondContact O-N 2.65Å; L469-I472 PolarHBondContact O-N 3.07Å; L469-Q473 WeakPolarHBondContact O-CB 3.37Å; L469-Q473 PolarHBondContact O-N 2.95Å
470E88.1Confident83Confident95 Ų9560.5 Ų60.544%0.44433%0.33SS..Hα-helixtrans-59.8-40174.6-71.6169.5179.900112.3K466 L468 S474K466-E470 WeakPolarHBondContact CE-OE1 3.46Å; K466-E470 WeakPolarHBondContact O-CG 3.38Å; K466-E470 PolarHBondContact O-N 3.09Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 2.67Å; E470-S474 VanDerWaalsContact O-CB 3.3Å; E470-S474 WeakPolarHBondContact O-CB 3.3Å; E470-S474 PolarHBondContact O-N 3.35Å
471K88.7Confident80.8Confident97 Ų9763.5 Ų63.542%0.42234%0.343SS..Hα-helixtrans-72.2-37.2177.9-74.1-65.6-179.3-169.80112.9I416 T460 V462 V467 L468 L469 F475I416-K471 HydrophobicContact CD1-CB 3.87Å; T460-K471 HydrophobicContact CG2-CG 4.48Å; V462-K471 HydrophobicContact CG1-CG 3.96Å; V467-K471 HydrophobicContact CG1-CG 4.41Å; V467-K471 WeakPolarHBondContact O-CB 3.49Å; V467-K471 WeakPolarHBondContact O-CG 3.05Å; V467-K471 PolarHBondContact O-N 3.09Å; L468-K471 PolarHBondContact O-N 3.27Å; L468-K471 VanDerWaalsContact O-N 3.13Å; L469-K471 VanDerWaalsContact C-N 3.33Å; L469-K471 PolarHBondContact O-N 2.65Å; K471-F475 WeakPolarHBondContact O-CB 3.37Å; K471-F475 PolarHBondContact O-N 3.41Å
472I88.9Confident78.6Confident6 Ų665.3 Ų65.33%0.03135%0.35CS..Hα-helixtrans-64.4-46.8173.4-67.8168.9000109.7I344 I347 L387 V389 I416 L468 L469 S474 F475 I476I344-I472 HydrophobicContact CD1-CD1 3.68Å; I344-I472 HydrophobicContact CG1-CD1 3.65Å; I344-I472 HydrophobicContact CG2-CD1 4.35Å; I347-I472 HydrophobicContact CD1-CB 4.11Å; I347-I472 HydrophobicContact CD1-CG2 3.76Å; L387-I472 HydrophobicContact CD2-CG1 4.14Å; V389-I472 HydrophobicContact CG2-CD1 3.92Å; V389-I472 HydrophobicContact CG2-CG1 4.4Å; I416-I472 HydrophobicContact CD1-CG1 4.01Å; L468-I472 HydrophobicContact CD1-CD1 3.82Å; L468-I472 HydrophobicContact CD1-CG1 4.17Å; L468-I472 HydrophobicContact CG-CD1 3.86Å; L468-I472 WeakPolarHBondContact O-CG1 3.45Å; L468-I472 PolarHBondContact O-N 3.17Å; L469-I472 PolarHBondContact O-N 3.07Å; I472-S474 PolarHBondContact O-N 3.02Å; I472-F475 WeakPolarHBondContact O-CB 3.43Å; I472-F475 PolarHBondContact O-N 3.22Å; I472-F475 VanDerWaalsContact O-N 3.13Å; I472-I476 HydrophobicContact CG2-CD1 3.88Å; I472-I476 HydrophobicContact CG2-CG1 4.49Å; I472-I476 WeakPolarHBondContact O-CG1 3.3Å; I472-I476 PolarHBondContact O-N 3.36Å
473Q85Confident76.6Confident93 Ų9369.3 Ų69.344%0.43537%0.37SS..Hα-helixtrans-59.7-46.3176.6-177.8170.45.600111.7I347 L469 F475 I476 E477I347-Q473 HydrophobicContact CG2-CB 4.37Å; L469-Q473 WeakPolarHBondContact O-CB 3.37Å; L469-Q473 PolarHBondContact O-N 2.95Å; Q473-F475 VanDerWaalsContact C-N 3.29Å; Q473-F475 PolarHBondContact O-N 3.47Å; Q473-I476 PolarHBondContact O-N 2.93Å; Q473-E477 HydrophobicContact CG-CG 4.46Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.35Å; Q473-E477 PolarHBondContact NE2-OE1 3.3Å; Q473-E477 WeakPolarHBondContact O-CB 2.99Å; Q473-E477 WeakPolarHBondContact O-CG 3.43Å; Q473-E477 PolarHBondContact O-N 3.36Å
474S84.2Confident74.8Confident69 Ų6969.5 Ų69.548%0.48337%0.365SS..Hα-helixtrans-61.5-35.7175.2178.10000112.7E470 I472 G478E470-S474 VanDerWaalsContact O-CB 3.3Å; E470-S474 WeakPolarHBondContact O-CB 3.3Å; E470-S474 PolarHBondContact O-N 3.35Å; I472-S474 PolarHBondContact O-N 3.02Å; S474-G478 PolarHBondContact O-N 3.4Å
475F84.3Confident72.9Confident53 Ų5370.1 Ų70.123%0.23237%0.372CS..Hα-helixtrans-64.3-48.2173.8-178.8-93.9000111.1D386 L387 P414 K471 I472 Q473 E477 G478 T479D386-F475 HydrophobicContact CB-CE1 4.36Å; D386-F475 WeakPolarHBondContact O-CZ 3.33Å; L387-F475 HydrophobicContact CB-CD1 4.12Å; L387-F475 HydrophobicContact CB-CE1 3.75Å; L387-F475 HydrophobicContact CB-CZ 4.08Å; L387-F475 HydrophobicContact CD1-CD1 4.4Å; L387-F475 HydrophobicContact CD1-CD2 4.08Å; L387-F475 HydrophobicContact CD1-CE1 4.44Å; L387-F475 HydrophobicContact CD1-CE2 4.12Å; L387-F475 HydrophobicContact CD1-CG 4.22Å; L387-F475 HydrophobicContact CD1-CZ 4.29Å; L387-F475 HydrophobicContact CD2-CB 4.35Å; L387-F475 HydrophobicContact CD2-CD1 3.86Å; L387-F475 HydrophobicContact CD2-CE1 4.36Å; L387-F475 HydrophobicContact CD2-CG 4.05Å; L387-F475 HydrophobicContact CG-CD1 4.36Å; L387-F475 HydrophobicContact CG-CE1 4.41Å; P414-F475 HydrophobicContact CB-CE2 4.42Å; P414-F475 HydrophobicContact CG-CE2 3.57Å; P414-F475 HydrophobicContact CG-CZ 3.89Å; K471-F475 WeakPolarHBondContact O-CB 3.37Å; K471-F475 PolarHBondContact O-N 3.41Å; I472-F475 WeakPolarHBondContact O-CB 3.43Å; I472-F475 PolarHBondContact O-N 3.22Å; I472-F475 VanDerWaalsContact O-N 3.13Å; Q473-F475 VanDerWaalsContact C-N 3.29Å; Q473-F475 PolarHBondContact O-N 3.47Å; F475-E477 PolarHBondContact O-N 2.96Å; F475-G478 CarbonylContact O-C 3.46Å; F475-G478 PolarHBondContact O-N 3.25Å; F475-T479 PolarHBondContact O-N 2.9Å; F475-T479 PolarHBondContact O-OG1 3.18Å
476I79.5Confident71.3Confident42 Ų4274.1 Ų74.122%0.21539%0.394CS..Hα-helixtrans-59.1-49.5177.6-65.9165.3000110.6I347 L351 I472 Q473 G478 T479I347-I476 HydrophobicContact CG2-CD1 3.88Å; L351-I476 HydrophobicContact CD1-CD1 4.21Å; I472-I476 HydrophobicContact CG2-CD1 3.88Å; I472-I476 HydrophobicContact CG2-CG1 4.49Å; I472-I476 WeakPolarHBondContact O-CG1 3.3Å; I472-I476 PolarHBondContact O-N 3.36Å; Q473-I476 PolarHBondContact O-N 2.93Å; I476-G478 PolarHBondContact O-N 2.95Å; I476-T479 WeakPolarHBondContact O-CB 3.37Å; I476-T479 PolarHBondContact O-N 3.32Å; I476-T479 VanDerWaalsContact O-N 3.12Å
477E72.2Confident70.2Confident110 Ų11069.8 Ų69.851%0.51438%0.377SS..Hα-helixtrans-61.3-43.4178-71173.2-174.200111.5Q473 F475 T479 S480Q473-E477 HydrophobicContact CG-CG 4.46Å; Q473-E477 WeakPolarHBondContact CG-OE1 3.35Å; Q473-E477 PolarHBondContact NE2-OE1 3.3Å; Q473-E477 WeakPolarHBondContact O-CB 2.99Å; Q473-E477 WeakPolarHBondContact O-CG 3.43Å; Q473-E477 PolarHBondContact O-N 3.36Å; F475-E477 PolarHBondContact O-N 2.96Å; E477-T479 VanDerWaalsContact C-N 3.27Å; E477-T479 PolarHBondContact O-N 2.84Å; E477-S480 VanDerWaalsContact O-CB 3.28Å; E477-S480 WeakPolarHBondContact O-CB 3.28Å; E477-S480 PolarHBondContact O-N 3.47Å; E477-S480 PolarHBondContact O-OG 3.37Å
478G65.3Low68.9Low26 Ų2673 Ų7327%0.26840%0.402SS..Hα-helixtrans-65.2-27175.500000113.6S474 F475 I476 S480 L481 H482S474-G478 PolarHBondContact O-N 3.4Å; F475-G478 CarbonylContact O-C 3.46Å; F475-G478 PolarHBondContact O-N 3.25Å; I476-G478 PolarHBondContact O-N 2.95Å; G478-S480 PolarHBondContact O-N 3.41Å; G478-L481 CarbonylContact O-C 3.59Å; G478-L481 WeakPolarHBondContact O-CA 3.41Å; G478-L481 WeakPolarHBondContact O-CB 3.24Å; G478-L481 PolarHBondContact O-N 3.03Å; G478-H482 PolarHBondContact O-CD2 3.49Å; G478-H482 PolarHBondContact O-N 3.29Å
479T56.9Low68.1Low63 Ų6378.9 Ų78.939%0.38743%0.428SS..Hα-helixtrans-67.6-25.3177.7-47.10000111.6F475 I476 E477 L481 H482F475-T479 PolarHBondContact O-N 2.9Å; F475-T479 PolarHBondContact O-OG1 3.18Å; I476-T479 WeakPolarHBondContact O-CB 3.37Å; I476-T479 PolarHBondContact O-N 3.32Å; I476-T479 VanDerWaalsContact O-N 3.12Å; E477-T479 VanDerWaalsContact C-N 3.27Å; E477-T479 PolarHBondContact O-N 2.84Å; T479-L481 PolarHBondContact O-N 2.84Å; T479-H482 HydrophobicContact CG2-CB 4.22Å; T479-H482 VanDerWaalsContact O-CB 3.29Å; T479-H482 WeakPolarHBondContact O-CB 3.3Å; T479-H482 PolarHBondContact O-N 2.98Å
480S45.7Very low67.5Low104 Ų10480.1 Ų80.173%0.72743%0.43SS*.THydrogen-bonded Turntrans-65-25.4170.1-47.30000112.8E477 G478E477-S480 VanDerWaalsContact O-CB 3.28Å; E477-S480 WeakPolarHBondContact O-CB 3.28Å; E477-S480 PolarHBondContact O-N 3.47Å; E477-S480 PolarHBondContact O-OG 3.37Å; G478-S480 PolarHBondContact O-N 3.41Å
481L48.1Very low67.1Low115 Ų11576.7 Ų76.760%0.60242%0.415SS*.THydrogen-bonded Turntrans-93.1-5.9174.2-73.5148.9000112.5G478 T479 M483 I484G478-L481 CarbonylContact O-C 3.59Å; G478-L481 WeakPolarHBondContact O-CA 3.41Å; G478-L481 WeakPolarHBondContact O-CB 3.24Å; G478-L481 PolarHBondContact O-N 3.03Å; T479-L481 PolarHBondContact O-N 2.84Å; L481-M483 PolarHBondContact O-N 3.46Å; L481-M483 VanDerWaalsContact O-N 3.08Å; L481-I484 PolarHBondContact O-N 2.91Å
482H48.9Very low67Low82 Ų8275 Ų7538%0.3841%0.407SS..THydrogen-bonded Turntrans-735.4-173.1-109.4-95.5000115.8G478 T479 I484 S485 I486G478-H482 PolarHBondContact O-CD2 3.49Å; G478-H482 PolarHBondContact O-N 3.29Å; T479-H482 HydrophobicContact CG2-CB 4.22Å; T479-H482 VanDerWaalsContact O-CB 3.29Å; T479-H482 WeakPolarHBondContact O-CB 3.3Å; T479-H482 PolarHBondContact O-N 2.98Å; H482-I484 PolarHBondContact O-N 3.48Å; H482-I484 VanDerWaalsContact O-N 3.07Å; H482-S485 WeakPolarHBondContact ND1-CB 3.39Å; H482-S485 PolarHBondContact ND1-OG 3.34Å; H482-S485 WeakPolarHBondContact O-CB 3.13Å; H482-S485 PolarHBondContact O-N 3.1Å; H482-S485 PolarHBondContact O-OG 3.26Å; H482-I486 PolarHBondContact O-N 2.75Å
483M50.9Low66.9Low91 Ų9177.2 Ų77.245%0.44842%0.419SS..Hα-helixtrans-53.8-27.4164.3-83.8-157.3-70.400111.8L481 S485 I486 I487 W490L481-M483 PolarHBondContact O-N 3.46Å; L481-M483 VanDerWaalsContact O-N 3.08Å; M483-S485 VanDerWaalsContact C-N 3.27Å; M483-S485 PolarHBondContact O-N 3.41Å; M483-I486 PolarHBondContact O-N 3.44Å; M483-I487 PolarHBondContact O-N 3.38Å; M483-W490 HydrophobicContact CB-CD2 3.78Å; M483-W490 HydrophobicContact CB-CE3 4.39Å; M483-W490 HydrophobicContact CB-CG 3.82Å; M483-W490 HydrophobicContact CE-CD2 4.15Å; M483-W490 HydrophobicContact CE-CH2 3.52Å; M483-W490 HydrophobicContact CE-CZ2 2.96Å; M483-W490 HydrophobicContact CE-CZ3 4.29Å; M483-W490 HydrophobicContact SD-CD2 4.11Å; M483-W490 HydrophobicContact SD-CE3 4.11Å; M483-W490 HydrophobicContact SD-CH2 3.6Å; M483-W490 VanDerWaalsContact SD-CH2 3.6Å; M483-W490 HydrophobicContact SD-CZ2 3.64Å; M483-W490 HydrophobicContact SD-CZ3 3.84Å
484I52.5Low67Low64 Ų6476.3 Ų76.333%0.32842%0.416SS..Hα-helixtrans-60-32173-61.1172000113L481 H482 W490L481-I484 PolarHBondContact O-N 2.91Å; H482-I484 PolarHBondContact O-N 3.48Å; H482-I484 VanDerWaalsContact O-N 3.07Å; I484-W490 HydrophobicContact CG1-CB 4.28Å; I484-W490 HydrophobicContact CG1-CG 4.34Å
485S47.4Very low67.3Low72 Ų7273.2 Ų73.250%0.50339%0.394SS..Hα-helixtrans-81.8-30.1177.473.70000113.6H482 M483H482-S485 WeakPolarHBondContact ND1-CB 3.39Å; H482-S485 PolarHBondContact ND1-OG 3.34Å; H482-S485 WeakPolarHBondContact O-CB 3.13Å; H482-S485 PolarHBondContact O-N 3.1Å; H482-S485 PolarHBondContact O-OG 3.26Å; M483-S485 VanDerWaalsContact C-N 3.27Å; M483-S485 PolarHBondContact O-N 3.41Å
486I53.3Low67.6Low138 Ų13872.6 Ų72.671%0.70840%0.395SS*.Hα-helixtrans-79.6-41-178.4-58.7174.1000109.6H482 M483H482-I486 PolarHBondContact O-N 2.75Å; M483-I486 PolarHBondContact O-N 3.44Å
487I64Low68.2Low58 Ų5874 Ų7430%0.29741%0.406SS..SBendtrans-118.4103.9179.9-58.7171.2000107.1M483 F489 W490 I493M483-I487 PolarHBondContact O-N 3.38Å; I487-F489 HydrophobicContact CG2-CD1 3.74Å; I487-F489 HydrophobicContact CG2-CD2 4.28Å; I487-F489 HydrophobicContact CG2-CE1 3.54Å; I487-F489 HydrophobicContact CG2-CE2 4.11Å; I487-F489 HydrophobicContact CG2-CG 4.1Å; I487-F489 HydrophobicContact CG2-CZ 3.73Å; I487-F489 PolarHBondContact O-N 2.78Å; I487-W490 HydrophobicContact CB-CB 4.14Å; I487-W490 HydrophobicContact CD1-CE3 3.84Å; I487-W490 HydrophobicContact CD1-CZ3 4.22Å; I487-W490 HydrophobicContact CG2-CB 4.41Å; I487-W490 VanDerWaalsContact O-CB 3.3Å; I487-W490 WeakPolarHBondContact O-CB 3.25Å; I487-W490 PolarHBondContact O-N 3.41Å; I487-I493 HydrophobicContact CG2-CD1 4.2Å
488S63.3Low69.2Low118 Ų11870.8 Ų70.883%0.82540%0.395SS*.THydrogen-bonded Turntrans-57.3-11.2-173.4690000115.4
489F73.6Confident70.7Confident123 Ų12369.6 Ų69.654%0.53938%0.383SS..THydrogen-bonded Turntrans-120.811.6178.962.1-83.4000113.1I487 D491 K492 I493I487-F489 HydrophobicContact CG2-CD1 3.74Å; I487-F489 HydrophobicContact CG2-CD2 4.28Å; I487-F489 HydrophobicContact CG2-CE1 3.54Å; I487-F489 HydrophobicContact CG2-CE2 4.11Å; I487-F489 HydrophobicContact CG2-CG 4.1Å; I487-F489 HydrophobicContact CG2-CZ 3.73Å; I487-F489 PolarHBondContact O-N 2.78Å; F489-D491 VanDerWaalsContact C-N 3.26Å; F489-D491 PolarHBondContact O-N 3.42Å; F489-K492 PolarHBondContact O-N 3.06Å; F489-I493 HydrophobicContact CD2-CD1 3.59Å; F489-I493 HydrophobicContact CD2-CG1 3.46Å; F489-I493 VanDerWaalsContact CD2-CG1 3.46Å; F489-I493 HydrophobicContact CE2-CD1 3.35Å; F489-I493 HydrophobicContact CE2-CG1 3.65Å; F489-I493 HydrophobicContact CZ-CD1 4.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.29Å; F489-I493 PolarHBondContact O-N 3.48Å
490W77.6Confident72.5Confident64 Ų6469 Ų6924%0.24238%0.376CS..Hα-helixtrans-52.3-45.5-178.5-177.9-101.5000112.6M483 I484 I487 K492 I493 L494M483-W490 HydrophobicContact CB-CD2 3.78Å; M483-W490 HydrophobicContact CB-CE3 4.39Å; M483-W490 HydrophobicContact CB-CG 3.82Å; M483-W490 HydrophobicContact CE-CD2 4.15Å; M483-W490 HydrophobicContact CE-CH2 3.52Å; M483-W490 HydrophobicContact CE-CZ2 2.96Å; M483-W490 HydrophobicContact CE-CZ3 4.29Å; M483-W490 HydrophobicContact SD-CD2 4.11Å; M483-W490 HydrophobicContact SD-CE3 4.11Å; M483-W490 HydrophobicContact SD-CH2 3.6Å; M483-W490 VanDerWaalsContact SD-CH2 3.6Å; M483-W490 HydrophobicContact SD-CZ2 3.64Å; M483-W490 HydrophobicContact SD-CZ3 3.84Å; I484-W490 HydrophobicContact CG1-CB 4.28Å; I484-W490 HydrophobicContact CG1-CG 4.34Å; I487-W490 HydrophobicContact CB-CB 4.14Å; I487-W490 HydrophobicContact CD1-CE3 3.84Å; I487-W490 HydrophobicContact CD1-CZ3 4.22Å; I487-W490 HydrophobicContact CG2-CB 4.41Å; I487-W490 VanDerWaalsContact O-CB 3.3Å; I487-W490 WeakPolarHBondContact O-CB 3.25Å; I487-W490 PolarHBondContact O-N 3.41Å; W490-K492 VanDerWaalsContact C-N 3.32Å; W490-K492 PolarHBondContact O-N 2.9Å; W490-I493 HydrophobicContact CE3-CD1 4.04Å; W490-I493 HydrophobicContact CZ3-CD1 4.41Å; W490-I493 WeakPolarHBondContact O-CA 3.49Å; W490-I493 WeakPolarHBondContact O-CB 3.07Å; W490-I493 PolarHBondContact O-N 3.36Å; W490-L494 PolarHBondContact O-N 3.3Å
491D79.8Confident74.9Confident22 Ų2268.6 Ų68.612%0.11837%0.369CS..Hα-helixtrans-49.5-51.9174.5-179.550.4000111.7F489 I493 L494 H495 R559F489-D491 VanDerWaalsContact C-N 3.26Å; F489-D491 PolarHBondContact O-N 3.42Å; D491-I493 PolarHBondContact O-N 2.98Å; D491-L494 PolarHBondContact O-N 2.95Å; D491-L494 VanDerWaalsContact O-N 3.16Å; D491-H495 PolarHBondContact O-CD2 3.35Å; D491-H495 VanDerWaalsContact O-CD2 3.26Å; D491-H495 PolarHBondContact O-N 2.95Å; D491-H495 IonicContact OD1-CD2 2.7Å; D491-H495 IonicContact OD1-NE2 2.73Å; D491-R559 IonicContact OD2-CZ 3.81Å; D491-R559 IonicContact OD2-NH1 2.99Å; D491-R559 PolarHBondContact OD2-NH1 3.06Å; D491-R559 IonicContact OD2-NH2 3.81Å
492K85.7Confident77.2Confident62 Ų6265.5 Ų65.527%0.2735%0.353SS..Hα-helixtrans-70.6-27.9177.8-55.6-51.2178.7-132.80113F489 W490 T496 D576 D580F489-K492 PolarHBondContact O-N 3.06Å; W490-K492 VanDerWaalsContact C-N 3.32Å; W490-K492 PolarHBondContact O-N 2.9Å; K492-T496 WeakPolarHBondContact O-CB 3.42Å; K492-T496 PolarHBondContact O-N 2.78Å; K492-T496 PolarHBondContact O-OG1 3.07Å; K492-D576 IonicContact NZ-OD1 3.53Å; K492-D576 PolarHBondContact NZ-OD1 3.2Å; K492-D580 WeakPolarHBondContact CD-OD1 3.21Å; K492-D580 WeakPolarHBondContact CE-OD1 3.38Å; K492-D580 IonicContact NZ-OD1 3.75Å; K492-D580 PolarHBondContact NZ-OD1 2.83Å; K492-D580 IonicContact NZ-OD2 3.76Å; K492-D580 PolarHBondContact NZ-OD2 3.15Å
493I86.1Confident79.5Confident52 Ų5261.6 Ų61.627%0.26733%0.334SS..Hα-helixtrans-63.2-48.6169.3-57.4175000109.5I487 F489 W490 D491 H495 T496 V497I487-I493 HydrophobicContact CG2-CD1 4.2Å; F489-I493 HydrophobicContact CD2-CD1 3.59Å; F489-I493 HydrophobicContact CD2-CG1 3.46Å; F489-I493 VanDerWaalsContact CD2-CG1 3.46Å; F489-I493 HydrophobicContact CE2-CD1 3.35Å; F489-I493 HydrophobicContact CE2-CG1 3.65Å; F489-I493 HydrophobicContact CZ-CD1 4.25Å; F489-I493 WeakPolarHBondContact O-CG1 3.29Å; F489-I493 PolarHBondContact O-N 3.48Å; W490-I493 HydrophobicContact CE3-CD1 4.04Å; W490-I493 HydrophobicContact CZ3-CD1 4.41Å; W490-I493 WeakPolarHBondContact O-CA 3.49Å; W490-I493 WeakPolarHBondContact O-CB 3.07Å; W490-I493 PolarHBondContact O-N 3.36Å; D491-I493 PolarHBondContact O-N 2.98Å; I493-H495 VanDerWaalsContact C-N 3.35Å; I493-H495 PolarHBondContact O-N 3Å; I493-T496 CarbonylContact O-C 3.58Å; I493-T496 WeakPolarHBondContact O-CA 3.2Å; I493-T496 WeakPolarHBondContact O-CB 3.31Å; I493-T496 PolarHBondContact O-N 3.18Å; I493-V497 HydrophobicContact CG2-CG2 3.98Å; I493-V497 WeakPolarHBondContact O-CG2 3.49Å; I493-V497 PolarHBondContact O-N 3.14Å
494L87.7Confident81.6Confident74 Ų7458.2 Ų58.239%0.38732%0.321SS..Hα-helixtrans-62.4-43.4-178.5-169.3137.7000110.9W490 D491 T496 V497 S498W490-L494 PolarHBondContact O-N 3.3Å; D491-L494 PolarHBondContact O-N 2.95Å; D491-L494 VanDerWaalsContact O-N 3.16Å; L494-T496 PolarHBondContact O-N 2.92Å; L494-V497 PolarHBondContact O-N 3.28Å; L494-S498 WeakPolarHBondContact O-CB 3.37Å; L494-S498 PolarHBondContact O-N 2.68Å; L494-S498 PolarHBondContact O-OG 3.37Å
495H89.9Confident83.6Confident4 Ų458.5 Ų58.52%0.01932%0.323CS..Hα-helixtrans-69-12.2172.3-76.9-66.6000114.7D491 I493 P499 W542 D580 T583 N584D491-H495 PolarHBondContact O-CD2 3.35Å; D491-H495 VanDerWaalsContact O-CD2 3.26Å; D491-H495 PolarHBondContact O-N 2.95Å; D491-H495 IonicContact OD1-CD2 2.7Å; D491-H495 IonicContact OD1-NE2 2.73Å; I493-H495 VanDerWaalsContact C-N 3.35Å; I493-H495 PolarHBondContact O-N 3Å; H495-P499 VanDerWaalsContact O-CD 3.22Å; H495-P499 WeakPolarHBondContact O-CD 3.03Å; H495-P499 VanDerWaalsContact O-CG 3.23Å; H495-P499 WeakPolarHBondContact O-CG 3.43Å; H495-W542 AromaticContact CE1-CD1 3.82Å; H495-W542 AromaticContact CE1-NE1 3.91Å; H495-D580 IonicContact CD2-OD1 2.86Å; H495-D580 PolarHBondContact CD2-OD1 3.42Å; H495-D580 IonicContact CG-OD1 2.76Å; H495-D580 IonicContact NE2-OD1 3.85Å; H495-T583 HydrophobicContact CB-CG2 3.79Å; H495-T583 CarbonylContact O-C 3.58Å; H495-N584 WeakPolarHBondContact CA-OD1 3.42Å; H495-N584 PolarHBondContact ND1-ND2 2.73Å; H495-N584 PolarHBondContact ND1-OD1 2.56Å; H495-N584 VanDerWaalsContact O-CA 3.31Å; H495-N584 WeakPolarHBondContact O-CA 3.36Å; H495-N584 PolarHBondContact O-N 3Å; H495-N584 PolarHBondContact O-OD1 2.88Å; H495-N584 VanDerWaalsContact O-OD1 3.07Å
496T91Very high85.9Confident40 Ų4055 Ų5525%0.24530%0.299CS..Hα-helixtrans-93.1-41.8172-57.80000111.8K492 I493 L494 P499 M500 T583 G587K492-T496 WeakPolarHBondContact O-CB 3.42Å; K492-T496 PolarHBondContact O-N 2.78Å; K492-T496 PolarHBondContact O-OG1 3.07Å; I493-T496 CarbonylContact O-C 3.58Å; I493-T496 WeakPolarHBondContact O-CA 3.2Å; I493-T496 WeakPolarHBondContact O-CB 3.31Å; I493-T496 PolarHBondContact O-N 3.18Å; L494-T496 PolarHBondContact O-N 2.92Å; T496-P499 VanDerWaalsContact O-CG 3.23Å; T496-P499 WeakPolarHBondContact O-CG 3.48Å; T496-M500 HydrophobicContact CG2-CE 4.07Å; T496-M500 WeakPolarHBondContact O-CG 3.45Å; T496-T583 WeakPolarHBondContact OG1-CG2 3.44Å; T496-G587 WeakPolarHBondContact O-CA 3.37Å
497V92.2Very high87.8Confident73 Ų7348.5 Ų48.544%0.44227%0.265SS..Hα-helixtrans-84.1-41.3-172.9176.60000111.8I493 L494 M500 V501I493-V497 HydrophobicContact CG2-CG2 3.98Å; I493-V497 WeakPolarHBondContact O-CG2 3.49Å; I493-V497 PolarHBondContact O-N 3.14Å; L494-V497 PolarHBondContact O-N 3.28Å; V497-M500 WeakPolarHBondContact O-CB 3.21Å; V497-M500 PolarHBondContact O-N 2.83Å; V497-M500 VanDerWaalsContact O-N 3.11Å; V497-V501 PolarHBondContact O-N 3.44Å
498S93.6Very high89.2Confident41 Ų4145.7 Ų45.729%0.28725%0.251SS..Hα-helixtrans-57.6-46.2178.765.70000114.1L494 M500 V501 L502L494-S498 WeakPolarHBondContact O-CB 3.37Å; L494-S498 PolarHBondContact O-N 2.68Å; L494-S498 PolarHBondContact O-OG 3.37Å; S498-M500 VanDerWaalsContact C-N 3.27Å; S498-M500 PolarHBondContact O-N 2.88Å; S498-V501 PolarHBondContact O-N 3.36Å; S498-L502 WeakPolarHBondContact O-CG 3.31Å; S498-L502 PolarHBondContact O-N 3.45Å
499P95.7Very high90.6Very high2 Ų241.8 Ų41.81%0.01322%0.221CC..Hα-helixtrans-65.5-26.7175.432.5-45000113H495 T496 T503 A535 N584 A588H495-P499 VanDerWaalsContact O-CD 3.22Å; H495-P499 WeakPolarHBondContact O-CD 3.03Å; H495-P499 VanDerWaalsContact O-CG 3.23Å; H495-P499 WeakPolarHBondContact O-CG 3.43Å; T496-P499 VanDerWaalsContact O-CG 3.23Å; T496-P499 WeakPolarHBondContact O-CG 3.48Å; P499-T503 WeakPolarHBondContact O-CB 3.29Å; P499-T503 PolarHBondContact O-N 3.09Å; P499-T503 PolarHBondContact O-OG1 3.07Å; P499-A535 HydrophobicContact CB-CB 4.38Å; P499-N584 HydrophobicContact CB-CB 4.46Å; P499-N584 WeakPolarHBondContact CB-O 3.41Å; P499-N584 WeakPolarHBondContact CG-O 3.28Å; P499-A588 HydrophobicContact CB-CB 4.29Å
500M96Very high91.5Very high51 Ų5136.7 Ų36.725%0.25120%0.199SC..Hα-helixtrans-65.2-47.3174.6-67.6172.816900110.3T496 V497 S498 T503 A504 G587 L590 M591T496-M500 HydrophobicContact CG2-CE 4.07Å; T496-M500 WeakPolarHBondContact O-CG 3.45Å; V497-M500 WeakPolarHBondContact O-CB 3.21Å; V497-M500 PolarHBondContact O-N 2.83Å; V497-M500 VanDerWaalsContact O-N 3.11Å; S498-M500 VanDerWaalsContact C-N 3.27Å; S498-M500 PolarHBondContact O-N 2.88Å; M500-T503 WeakPolarHBondContact O-CB 2.96Å; M500-T503 PolarHBondContact O-N 3.41Å; M500-A504 PolarHBondContact O-N 3.33Å; M500-G587 WeakPolarHBondContact CG-O 3.43Å; M500-L590 HydrophobicContact CE-CB 3.55Å; M500-L590 HydrophobicContact CE-CD1 3.56Å; M500-L590 HydrophobicContact CE-CG 4.21Å; M500-M591 HydrophobicContact CB-CB 4.03Å; M500-M591 HydrophobicContact CG-CB 4.1Å; M500-M591 WeakPolarHBondContact O-CG 3.49Å
501V95.3Very high92Very high95 Ų9533.6 Ų33.658%0.57619%0.187SC*.Hα-helixtrans-64.6-43.8177.1178.60000110.8V497 S498 T503 A504 L505V497-V501 PolarHBondContact O-N 3.44Å; S498-V501 PolarHBondContact O-N 3.36Å; V501-T503 VanDerWaalsContact C-N 3.32Å; V501-T503 PolarHBondContact O-N 2.92Å; V501-A504 WeakPolarHBondContact O-CB 3.33Å; V501-A504 PolarHBondContact O-N 3.03Å; V501-L505 WeakPolarHBondContact O-CB 3.02Å; V501-L505 PolarHBondContact O-N 2.79Å
502L96.6Very high92.4Very high49 Ų4937.4 Ų37.426%0.25720%0.2SC..Hα-helixtrans-64.3-36.9176.6-69.9168.2000112S498 L505 G506 F534 A535 C538S498-L502 WeakPolarHBondContact O-CG 3.31Å; S498-L502 PolarHBondContact O-N 3.45Å; L502-L505 HydrophobicContact CD2-CD2 4.36Å; L502-L505 WeakPolarHBondContact O-CB 3.44Å; L502-L505 PolarHBondContact O-N 2.78Å; L502-G506 PolarHBondContact O-N 3.31Å; L502-F534 HydrophobicContact CB-CE1 4.41Å; L502-F534 HydrophobicContact CD2-CE1 4.19Å; L502-F534 VanDerWaalsContact O-CD1 3.22Å; L502-F534 WeakPolarHBondContact O-CD1 3.32Å; L502-A535 HydrophobicContact CB-CB 4Å; L502-C538 HydrophobicContact CD1-CB 3.71Å; L502-C538 HydrophobicContact CD2-CB 4.46Å
503T96.8Very high92.6Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-61.6-45.8174.4-63.70000110.7P499 M500 V501 G506 Y507 A535 A588 M591P499-T503 WeakPolarHBondContact O-CB 3.29Å; P499-T503 PolarHBondContact O-N 3.09Å; P499-T503 PolarHBondContact O-OG1 3.07Å; M500-T503 WeakPolarHBondContact O-CB 2.96Å; M500-T503 PolarHBondContact O-N 3.41Å; V501-T503 VanDerWaalsContact C-N 3.32Å; V501-T503 PolarHBondContact O-N 2.92Å; T503-G506 PolarHBondContact O-N 3.48Å; T503-Y507 HydrophobicContact CG2-CE1 3.91Å; T503-Y507 HydrophobicContact CG2-CE2 4.11Å; T503-Y507 VanDerWaalsContact CG2-CZ 3.5Å; T503-Y507 WeakPolarHBondContact CG2-OH 3.25Å; T503-Y507 WeakPolarHBondContact O-CD1 3.34Å; T503-Y507 PolarHBondContact O-N 3.23Å; T503-Y507 VanDerWaalsContact O-N 3.16Å; T503-A535 VanDerWaalsContact OG1-CB 3.22Å; T503-A535 WeakPolarHBondContact OG1-CB 3.22Å; T503-A588 WeakPolarHBondContact OG1-CA 3.25Å; T503-A588 WeakPolarHBondContact OG1-CB 3.45Å; T503-M591 HydrophobicContact CG2-CB 3.96Å; T503-M591 HydrophobicContact CG2-CG 3.8Å
504A94.6Very high92.7Very high20 Ų2040.1 Ų40.117%0.16521%0.211CC..Hα-helixtrans-61.7-41.9174.700000112.5M500 V501 G506 Y507 G508 M591 Y609M500-A504 PolarHBondContact O-N 3.33Å; V501-A504 WeakPolarHBondContact O-CB 3.33Å; V501-A504 PolarHBondContact O-N 3.03Å; A504-G506 VanDerWaalsContact C-N 3.3Å; A504-G506 PolarHBondContact O-N 3.43Å; A504-Y507 WeakPolarHBondContact O-CB 3.5Å; A504-Y507 PolarHBondContact O-N 2.82Å; A504-G508 PolarHBondContact O-N 2.76Å; A504-M591 HydrophobicContact CB-CE 4.04Å; A504-Y609 HydrophobicContact CB-CD1 4.06Å; A504-Y609 HydrophobicContact CB-CE1 3.84Å
505L94.9Very high92.5Very high70 Ų7043.6 Ų43.637%0.36622%0.223SC..Hα-helixtrans-62-39.1174.1-178.265.4000111.5V501 L502 Y507 G508 L509 F534 L611V501-L505 WeakPolarHBondContact O-CB 3.02Å; V501-L505 PolarHBondContact O-N 2.79Å; L502-L505 HydrophobicContact CD2-CD2 4.36Å; L502-L505 WeakPolarHBondContact O-CB 3.44Å; L502-L505 PolarHBondContact O-N 2.78Å; L505-Y507 VanDerWaalsContact C-N 3.3Å; L505-Y507 PolarHBondContact O-N 3.5Å; L505-G508 CarbonylContact O-C 3.37Å; L505-G508 WeakPolarHBondContact O-CA 3.29Å; L505-G508 PolarHBondContact O-N 2.78Å; L505-G508 VanDerWaalsContact O-N 3.07Å; L505-L509 HydrophobicContact CG-CD1 4.25Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.28Å; L505-F534 HydrophobicContact CB-CE1 4.43Å; L505-F534 HydrophobicContact CD2-CE1 4.12Å; L505-F534 HydrophobicContact CD2-CZ 4.3Å; L505-F534 HydrophobicContact CG-CE1 4.33Å; L505-L611 HydrophobicContact CD1-CD1 3.97Å; L505-L611 HydrophobicContact CD1-CD2 4.26Å
506G95.6Very high92.1Very high0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-57.2-42.1173.800000112.1L502 T503 A504 G508 L509 I510 F530L502-G506 PolarHBondContact O-N 3.31Å; T503-G506 PolarHBondContact O-N 3.48Å; A504-G506 VanDerWaalsContact C-N 3.3Å; A504-G506 PolarHBondContact O-N 3.43Å; G506-G508 VanDerWaalsContact C-N 3.31Å; G506-G508 PolarHBondContact O-N 3.05Å; G506-L509 PolarHBondContact O-N 2.96Å; G506-I510 PolarHBondContact O-N 3.28Å; G506-F530 WeakPolarHBondContact O-CD1 3.31Å; G506-F530 WeakPolarHBondContact O-CE1 3.35Å
507Y94.3Very high91.7Very high0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-59.4-42.4173.3-54.4-27.6000112T503 A504 L505 I510 G511 F527 M591 G592 A595 F606 Y609T503-Y507 HydrophobicContact CG2-CE1 3.91Å; T503-Y507 HydrophobicContact CG2-CE2 4.11Å; T503-Y507 VanDerWaalsContact CG2-CZ 3.5Å; T503-Y507 WeakPolarHBondContact CG2-OH 3.25Å; T503-Y507 WeakPolarHBondContact O-CD1 3.34Å; T503-Y507 PolarHBondContact O-N 3.23Å; T503-Y507 VanDerWaalsContact O-N 3.16Å; A504-Y507 WeakPolarHBondContact O-CB 3.5Å; A504-Y507 PolarHBondContact O-N 2.82Å; L505-Y507 VanDerWaalsContact C-N 3.3Å; L505-Y507 PolarHBondContact O-N 3.5Å; Y507-I510 VanDerWaalsContact O-CG2 3.26Å; Y507-I510 WeakPolarHBondContact O-CG2 3.19Å; Y507-G511 PolarHBondContact O-N 3.19Å; Y507-F527 HydrophobicContact CD1-CB 4.21Å; Y507-F527 WeakPolarHBondContact CD1-O 3.18Å; Y507-F527 WeakPolarHBondContact CE1-O 3.33Å; Y507-M591 HydrophobicContact CE2-CE 4.23Å; Y507-M591 HydrophobicContact CE2-CG 4.5Å; Y507-G592 WeakPolarHBondContact OH-CA 3.37Å; Y507-A595 HydrophobicContact CE2-CB 3.7Å; Y507-F606 HydrophobicContact CD1-CD1 4.2Å; Y507-F606 HydrophobicContact CD1-CE1 4.02Å; Y507-F606 AromaticContact CD2-CD1 3.9Å; Y507-F606 HydrophobicContact CD2-CD1 3.9Å; Y507-F606 AromaticContact CD2-CE1 3.77Å; Y507-F606 HydrophobicContact CD2-CE1 3.77Å; Y507-F606 HydrophobicContact CE1-CE1 4.11Å; Y507-F606 HydrophobicContact CE2-CD1 4.45Å; Y507-F606 AromaticContact CE2-CE1 3.86Å; Y507-F606 HydrophobicContact CE2-CE1 3.86Å; Y507-F606 AromaticContact CG-CD1 3.76Å; Y507-F606 HydrophobicContact CG-CD1 3.76Å; Y507-F606 AromaticContact CG-CE1 3.86Å; Y507-F606 HydrophobicContact CG-CE1 3.86Å; Y507-Y609 HydrophobicContact CD2-CD1 4.28Å; Y507-Y609 HydrophobicContact CD2-CD2 4.47Å; Y507-Y609 HydrophobicContact CD2-CE1 4.28Å; Y507-Y609 HydrophobicContact CD2-CE2 4.46Å; Y507-Y609 HydrophobicContact CD2-CG 4.37Å
508G92.2Very high91.2Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-66.1-37.5176.400000114A504 L505 G506 Y512 Y609A504-G508 PolarHBondContact O-N 2.76Å; L505-G508 CarbonylContact O-C 3.37Å; L505-G508 WeakPolarHBondContact O-CA 3.29Å; L505-G508 PolarHBondContact O-N 2.78Å; L505-G508 VanDerWaalsContact O-N 3.07Å; G506-G508 VanDerWaalsContact C-N 3.31Å; G506-G508 PolarHBondContact O-N 3.05Å; G508-Y512 WeakPolarHBondContact O-CB 3.39Å; G508-Y512 PolarHBondContact O-N 3.27Å; G508-Y609 WeakPolarHBondContact CA-O 3.21Å
509L93.1Very high90.8Very high36 Ų3650 Ų5019%0.18826%0.257CS..Hα-helixtrans-68-45.1178.6-78.6169.5000112.4L505 G506 G511 Y512 F513 F530 F534 L611L505-L509 HydrophobicContact CG-CD1 4.25Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.28Å; G506-L509 PolarHBondContact O-N 2.96Å; L509-G511 VanDerWaalsContact C-N 3.34Å; L509-Y512 WeakPolarHBondContact O-CB 3.44Å; L509-Y512 PolarHBondContact O-N 2.86Å; L509-F513 HydrophobicContact CB-CE2 4.41Å; L509-F513 WeakPolarHBondContact O-CD2 3.26Å; L509-F513 WeakPolarHBondContact O-CG 3.46Å; L509-F513 PolarHBondContact O-N 3.24Å; L509-F530 HydrophobicContact CB-CE1 4.19Å; L509-F534 HydrophobicContact CD1-CD2 4.02Å; L509-F534 HydrophobicContact CD1-CE1 4.01Å; L509-F534 HydrophobicContact CD1-CE2 3.39Å; L509-F534 HydrophobicContact CD1-CZ 3.38Å; L509-L611 HydrophobicContact CD2-CD1 3.76Å; L509-L611 HydrophobicContact CG-CD1 3.92Å
510I92.2Very high90Very high15 Ų1553.5 Ų53.58%0.07728%0.282CS..Hα-helixtrans-65.5-39.4176.1-169.9166.7000111.2G506 Y507 Y512 F513 M514 L526 F527 F530G506-I510 PolarHBondContact O-N 3.28Å; Y507-I510 VanDerWaalsContact O-CG2 3.26Å; Y507-I510 WeakPolarHBondContact O-CG2 3.19Å; I510-Y512 VanDerWaalsContact C-N 3.28Å; I510-Y512 PolarHBondContact O-N 3.18Å; I510-F513 PolarHBondContact O-N 2.67Å; I510-F513 VanDerWaalsContact O-N 3.15Å; I510-M514 HydrophobicContact CG1-CG 4.32Å; I510-M514 HydrophobicContact CG1-SD 4.15Å; I510-M514 WeakPolarHBondContact O-CB 3.2Å; I510-M514 VanDerWaalsContact O-CG 3.26Å; I510-M514 WeakPolarHBondContact O-CG 3.34Å; I510-M514 PolarHBondContact O-N 2.79Å; I510-L526 HydrophobicContact CD1-CD1 4.22Å; I510-L526 HydrophobicContact CD1-CD2 4Å; I510-L526 HydrophobicContact CD1-CG 3.72Å; I510-F527 HydrophobicContact CG2-CD1 3.44Å; I510-F527 VanDerWaalsContact CG2-CD1 3.44Å; I510-F527 HydrophobicContact CG2-CE1 3.72Å; I510-F527 HydrophobicContact CG2-CG 4.35Å; I510-F530 HydrophobicContact CB-CB 4.47Å; I510-F530 HydrophobicContact CB-CD1 3.65Å; I510-F530 HydrophobicContact CB-CD2 4.29Å; I510-F530 HydrophobicContact CB-CE1 3.87Å; I510-F530 HydrophobicContact CB-CE2 4.48Å; I510-F530 HydrophobicContact CB-CG 3.87Å; I510-F530 HydrophobicContact CB-CZ 4.28Å; I510-F530 HydrophobicContact CD1-CB 3.72Å; I510-F530 HydrophobicContact CD1-CD1 4.39Å; I510-F530 HydrophobicContact CD1-CD2 3.83Å; I510-F530 HydrophobicContact CD1-CG 3.71Å; I510-F530 HydrophobicContact CG1-CD2 4.4Å; I510-F530 HydrophobicContact CG1-CG 4.3Å; I510-F530 HydrophobicContact CG2-CB 4.49Å; I510-F530 HydrophobicContact CG2-CD1 3.96Å; I510-F530 HydrophobicContact CG2-CG 4.29Å
511G89.3Confident89.4Confident0 Ų059.1 Ų59.10%031%0.305CS..Hα-helixtrans-61.5-34.6172.700000113.1Y507 L509 R610Y507-G511 PolarHBondContact O-N 3.19Å; L509-G511 VanDerWaalsContact C-N 3.34Å; G511-R610 PolarHBondContact O-NE 3.01Å; G511-R610 VanDerWaalsContact O-NE 3.09Å
512Y88.2Confident89Confident101 Ų10156 Ų5640%0.39629%0.286SS..Hα-helixtrans-66.7-46171.3175.4-101000112G508 L509 I510 M514 K515 L611G508-Y512 WeakPolarHBondContact O-CB 3.39Å; G508-Y512 PolarHBondContact O-N 3.27Å; L509-Y512 WeakPolarHBondContact O-CB 3.44Å; L509-Y512 PolarHBondContact O-N 2.86Å; I510-Y512 VanDerWaalsContact C-N 3.28Å; I510-Y512 PolarHBondContact O-N 3.18Å; Y512-M514 VanDerWaalsContact C-N 3.31Å; Y512-M514 PolarHBondContact O-N 3.29Å; Y512-K515 PolarHBondContact O-N 2.66Å; Y512-L611 WeakPolarHBondContact CD2-O 3.45Å
513F90.2Very high88.7Confident135 Ų13557 Ų5759%0.59230%0.297SS*.Hα-helixtrans-68.3-27.6179.9-69.2-47.5000114.1L509 I510 K515L509-F513 HydrophobicContact CB-CE2 4.41Å; L509-F513 WeakPolarHBondContact O-CD2 3.26Å; L509-F513 WeakPolarHBondContact O-CG 3.46Å; L509-F513 PolarHBondContact O-N 3.24Å; I510-F513 PolarHBondContact O-N 2.67Å; I510-F513 VanDerWaalsContact O-N 3.15Å; F513-K515 PolarHBondContact O-N 3.3Å
514M87.7Confident88.4Confident36 Ų3658.2 Ų58.218%0.17731%0.305CS..THydrogen-bonded Turntrans-69.3-11.7176.5-77.217870.700113.9I510 Y512 D516 A517 I519 T522 F527I510-M514 HydrophobicContact CG1-CG 4.32Å; I510-M514 HydrophobicContact CG1-SD 4.15Å; I510-M514 WeakPolarHBondContact O-CB 3.2Å; I510-M514 VanDerWaalsContact O-CG 3.26Å; I510-M514 WeakPolarHBondContact O-CG 3.34Å; I510-M514 PolarHBondContact O-N 2.79Å; Y512-M514 VanDerWaalsContact C-N 3.31Å; Y512-M514 PolarHBondContact O-N 3.29Å; M514-D516 PolarHBondContact O-N 3.28Å; M514-A517 HydrophobicContact CB-CB 4.22Å; M514-A517 HydrophobicContact CE-CB 4.14Å; M514-A517 WeakPolarHBondContact O-CB 3.35Å; M514-A517 PolarHBondContact O-N 2.84Å; M514-I519 HydrophobicContact CE-CG1 3.84Å; M514-I519 HydrophobicContact SD-CG1 4.38Å; M514-T522 HydrophobicContact CE-CG2 3.88Å; M514-T522 WeakPolarHBondContact CE-OG1 3.47Å; M514-F527 HydrophobicContact SD-CE1 4.4Å; M514-F527 HydrophobicContact SD-CZ 3.9Å
515K83.2Confident88.3Confident147 Ų14765.3 Ų65.364%0.63933%0.328SS*.THydrogen-bonded Turntrans45.4-124177.3-60.8179.6-178.2177.20111.2Y512 F513 A517 R610Y512-K515 PolarHBondContact O-N 2.66Å; F513-K515 PolarHBondContact O-N 3.3Å; K515-A517 PolarHBondContact O-N 3.4Å; K515-R610 PolarHBondContact O-NH2 2.85Å
516D81.1Confident88.2Confident162 Ų16265.6 Ų65.687%0.86633%0.329SS*.THydrogen-bonded Turntrans-83.210.6-173.6-49.4-54.1000113.8M514M514-D516 PolarHBondContact O-N 3.28Å
517A82.8Confident88.1Confident48 Ų4865.6 Ų65.640%0.39733%0.329SS..  trans-66.1138.8177.300000111.5M514 K515 I519M514-A517 HydrophobicContact CB-CB 4.22Å; M514-A517 HydrophobicContact CE-CB 4.14Å; M514-A517 WeakPolarHBondContact O-CB 3.35Å; M514-A517 PolarHBondContact O-N 2.84Å; K515-A517 PolarHBondContact O-N 3.4Å; A517-I519 PolarHBondContact O-N 3.45Å; A517-I519 VanDerWaalsContact O-N 3.09Å
518D82.7Confident88.2Confident73 Ų7366.8 Ų66.839%0.3934%0.335SS..  trans-73.999179.5-175-4000110.6S520 K521D518-S520 PolarHBondContact O-N 2.8Å; D518-S520 WeakPolarHBondContact OD1-CB 3.35Å; D518-S520 PolarHBondContact OD1-N 2.96Å; D518-S520 PolarHBondContact OD1-OG 2.83Å; D518-K521 HydrophobicContact CB-CD 4.21Å; D518-K521 HydrophobicContact CB-CG 4.42Å; D518-K521 PolarHBondContact O-N 3.02Å; D518-K521 WeakPolarHBondContact OD2-CD 3.48Å; D518-K521 WeakPolarHBondContact OD2-CE 3.09Å; D518-K521 IonicContact OD2-NZ 3.63Å; D518-K521 PolarHBondContact OD2-NZ 2.8Å
519I83.6Confident88.3Confident9 Ų970.6 Ų70.65%0.04636%0.355CS..G310 helixtrans-61.7-28.9-176-76.6170.5000112.1M514 A517 K521 T522 F527 A603 E607M514-I519 HydrophobicContact CE-CG1 3.84Å; M514-I519 HydrophobicContact SD-CG1 4.38Å; A517-I519 PolarHBondContact O-N 3.45Å; A517-I519 VanDerWaalsContact O-N 3.09Å; I519-K521 PolarHBondContact O-N 3.44Å; I519-K521 VanDerWaalsContact O-N 3.12Å; I519-T522 WeakPolarHBondContact O-CB 3.03Å; I519-T522 PolarHBondContact O-N 3.44Å; I519-F527 HydrophobicContact CB-CZ 4.48Å; I519-F527 HydrophobicContact CD1-CZ 4.19Å; I519-F527 HydrophobicContact CG1-CZ 4.05Å; I519-F527 HydrophobicContact CG2-CE2 4.05Å; I519-F527 HydrophobicContact CG2-CZ 3.71Å; I519-A603 HydrophobicContact CG2-CB 4.32Å; I519-A603 WeakPolarHBondContact CG2-O 3.23Å; I519-A603 VanDerWaalsContact O-CB 3.23Å; I519-A603 WeakPolarHBondContact O-CB 3.39Å; I519-E607 WeakPolarHBondContact CD1-OE2 3.39Å
520S79.6Confident88.5Confident76 Ų7672 Ų7253%0.53136%0.36SS..G310 helixtrans-62.2-20.8176.175.50000113.7D518D518-S520 PolarHBondContact O-N 2.8Å; D518-S520 WeakPolarHBondContact OD1-CB 3.35Å; D518-S520 PolarHBondContact OD1-N 2.96Å; D518-S520 PolarHBondContact OD1-OG 2.83Å
521K84.3Confident88.7Confident170 Ų17071.3 Ų71.374%0.73936%0.356SS*.G310 helixtrans-94.3-1.6176.9-66.2179.2-1791340113.5D518 I519D518-K521 HydrophobicContact CB-CD 4.21Å; D518-K521 HydrophobicContact CB-CG 4.42Å; D518-K521 PolarHBondContact O-N 3.02Å; D518-K521 WeakPolarHBondContact OD2-CD 3.48Å; D518-K521 WeakPolarHBondContact OD2-CE 3.09Å; D518-K521 IonicContact OD2-NZ 3.63Å; D518-K521 PolarHBondContact OD2-NZ 2.8Å; I519-K521 PolarHBondContact O-N 3.44Å; I519-K521 VanDerWaalsContact O-N 3.12Å
522T86.8Confident89Confident29 Ų2975.1 Ų75.118%0.17837%0.373CS..SBendtrans-94.2144.8-177.2-56.40000109.8M514 I519 P524 L526 F527 A603M514-T522 HydrophobicContact CE-CG2 3.88Å; M514-T522 WeakPolarHBondContact CE-OG1 3.47Å; I519-T522 WeakPolarHBondContact O-CB 3.03Å; I519-T522 PolarHBondContact O-N 3.44Å; T522-P524 WeakPolarHBondContact O-CD 3.43Å; T522-L526 HydrophobicContact CG2-CB 4.19Å; T522-L526 HydrophobicContact CG2-CD2 3.6Å; T522-F527 HydrophobicContact CG2-CE2 3.95Å; T522-A603 WeakPolarHBondContact O-CB 3.39Å
523S90.3Very high89.4Confident71 Ų7172.9 Ų72.950%0.49738%0.376SS..  trans-65.6128.3174.4178.60000110.1W525 L526S523-W525 PolarHBondContact O-N 3.29Å; S523-W525 WeakPolarHBondContact OG-CB 3.24Å; S523-W525 PolarHBondContact OG-N 3.24Å; S523-L526 WeakPolarHBondContact O-CB 3.4Å; S523-L526 PolarHBondContact O-N 3.15Å
524P90.1Very high89.8Confident24 Ų2468.7 Ų68.716%0.15636%0.357CS..Hα-helixtrans-52-29171-26.333.2000112.7T522 L526 F527 L528 G601 A603 F606T522-P524 WeakPolarHBondContact O-CD 3.43Å; P524-L526 PolarHBondContact O-N 3.11Å; P524-F527 PolarHBondContact O-N 3.13Å; P524-L528 PolarHBondContact O-N 2.99Å; P524-L528 VanDerWaalsContact O-N 3.16Å; P524-G601 WeakPolarHBondContact CG-O 3.24Å; P524-A603 HydrophobicContact CG-CB 4.09Å; P524-F606 HydrophobicContact CB-CE2 4.07Å
525W92.6Very high90.2Very high170 Ų17067 Ų6764%0.64435%0.35SS*.Hα-helixtrans-63-28.8179.3-158.580.4000113.1S523 L528 L529S523-W525 PolarHBondContact O-N 3.29Å; S523-W525 WeakPolarHBondContact OG-CB 3.24Å; S523-W525 PolarHBondContact OG-N 3.24Å; W525-L528 PolarHBondContact O-N 3.17Å; W525-L529 HydrophobicContact CE3-CB 4.34Å; W525-L529 HydrophobicContact CE3-CD2 4.3Å; W525-L529 HydrophobicContact CH2-CD1 4.21Å; W525-L529 HydrophobicContact CH2-CD2 3.89Å; W525-L529 HydrophobicContact CH2-CG 4.45Å; W525-L529 HydrophobicContact CZ3-CB 4.32Å; W525-L529 HydrophobicContact CZ3-CD2 3.58Å; W525-L529 HydrophobicContact CZ3-CG 4.38Å; W525-L529 VanDerWaalsContact O-CB 3.3Å; W525-L529 WeakPolarHBondContact O-CB 3.42Å; W525-L529 PolarHBondContact O-N 2.92Å
526L92.7Very high90.8Very high76 Ų7661.4 Ų61.440%0.39833%0.333SS..Hα-helixtrans-63.4-43.1175.5-17863.6000111.2I510 T522 S523 P524 F530I510-L526 HydrophobicContact CD1-CD1 4.22Å; I510-L526 HydrophobicContact CD1-CD2 4Å; I510-L526 HydrophobicContact CD1-CG 3.72Å; T522-L526 HydrophobicContact CG2-CB 4.19Å; T522-L526 HydrophobicContact CG2-CD2 3.6Å; S523-L526 WeakPolarHBondContact O-CB 3.4Å; S523-L526 PolarHBondContact O-N 3.15Å; P524-L526 PolarHBondContact O-N 3.11Å; L526-F530 WeakPolarHBondContact O-CB 3.33Å; L526-F530 PolarHBondContact O-N 3.35Å
527F93.8Very high91.5Very high0 Ų058.2 Ų58.20%032%0.316CS..Hα-helixtrans-66-49.2176.9-67.3-91.1000110.9Y507 I510 M514 I519 T522 P524 L529 F530 G531 F606Y507-F527 HydrophobicContact CD1-CB 4.21Å; Y507-F527 WeakPolarHBondContact CD1-O 3.18Å; Y507-F527 WeakPolarHBondContact CE1-O 3.33Å; I510-F527 HydrophobicContact CG2-CD1 3.44Å; I510-F527 VanDerWaalsContact CG2-CD1 3.44Å; I510-F527 HydrophobicContact CG2-CE1 3.72Å; I510-F527 HydrophobicContact CG2-CG 4.35Å; M514-F527 HydrophobicContact SD-CE1 4.4Å; M514-F527 HydrophobicContact SD-CZ 3.9Å; I519-F527 HydrophobicContact CB-CZ 4.48Å; I519-F527 HydrophobicContact CD1-CZ 4.19Å; I519-F527 HydrophobicContact CG1-CZ 4.05Å; I519-F527 HydrophobicContact CG2-CE2 4.05Å; I519-F527 HydrophobicContact CG2-CZ 3.71Å; T522-F527 HydrophobicContact CG2-CE2 3.95Å; P524-F527 PolarHBondContact O-N 3.13Å; F527-L529 PolarHBondContact O-N 3.42Å; F527-F530 PolarHBondContact O-N 2.92Å; F527-G531 PolarHBondContact O-N 3.33Å; F527-F606 HydrophobicContact CB-CB 4.36Å; F527-F606 HydrophobicContact CB-CD1 3.54Å; F527-F606 HydrophobicContact CB-CD2 3.83Å; F527-F606 HydrophobicContact CB-CE1 3.64Å; F527-F606 HydrophobicContact CB-CE2 3.94Å; F527-F606 HydrophobicContact CB-CG 3.63Å; F527-F606 HydrophobicContact CB-CZ 3.84Å; F527-F606 HydrophobicContact CD1-CB 3.46Å; F527-F606 VanDerWaalsContact CD1-CB 3.46Å; F527-F606 HydrophobicContact CD1-CD1 4.02Å; F527-F606 HydrophobicContact CD1-CD2 4.39Å; F527-F606 AromaticContact CD1-CG 3.7Å; F527-F606 HydrophobicContact CD1-CG 3.7Å; F527-F606 HydrophobicContact CD2-CB 4.13Å; F527-F606 AromaticContact CD2-CD2 3.83Å; F527-F606 HydrophobicContact CD2-CD2 3.83Å; F527-F606 HydrophobicContact CD2-CE2 4.46Å; F527-F606 AromaticContact CD2-CG 3.98Å; F527-F606 HydrophobicContact CD2-CG 3.98Å; F527-F606 HydrophobicContact CE1-CB 3.64Å; F527-F606 HydrophobicContact CE1-CG 4.35Å; F527-F606 HydrophobicContact CE2-CB 4.29Å; F527-F606 HydrophobicContact CG-CB 3.73Å; F527-F606 AromaticContact CG-CD1 3.88Å; F527-F606 HydrophobicContact CG-CD1 3.88Å; F527-F606 AromaticContact CG-CD2 3.76Å; F527-F606 HydrophobicContact CG-CD2 3.76Å; F527-F606 HydrophobicContact CG-CE1 4.43Å; F527-F606 HydrophobicContact CG-CE2 4.35Å; F527-F606 AromaticContact CG-CG 3.49Å; F527-F606 HydrophobicContact CG-CG 3.49Å; F527-F606 VanDerWaalsContact CG-CG 3.49Å; F527-F606 HydrophobicContact CZ-CB 4.07Å
528L94.8Very high92.2Very high25 Ų2557.7 Ų57.713%0.13131%0.309CS..Hα-helixtrans-56.2-48.3179.1-66.2176.3000111.9P524 W525 F532 G592 A595 H596 F606P524-L528 PolarHBondContact O-N 2.99Å; P524-L528 VanDerWaalsContact O-N 3.16Å; W525-L528 PolarHBondContact O-N 3.17Å; L528-F532 WeakPolarHBondContact O-CB 3.49Å; L528-F532 PolarHBondContact O-N 3.49Å; L528-F532 VanDerWaalsContact O-N 3.11Å; L528-G592 WeakPolarHBondContact CD2-O 3.39Å; L528-A595 HydrophobicContact CD2-CB 3.94Å; L528-H596 HydrophobicContact CD1-CB 3.97Å; L528-H596 HydrophobicContact CD2-CB 4.4Å; L528-F606 HydrophobicContact CD2-CE1 4.33Å; L528-F606 HydrophobicContact CD2-CZ 3.81Å; L528-F606 HydrophobicContact CG-CZ 4.07Å
529L95.7Very high92.7Very high80 Ų8054.5 Ų54.542%0.41929%0.293SS..Hα-helixtrans-65.8-44.5178.9-176.970000111.6W525 F527 F532 A533W525-L529 HydrophobicContact CE3-CB 4.34Å; W525-L529 HydrophobicContact CE3-CD2 4.3Å; W525-L529 HydrophobicContact CH2-CD1 4.21Å; W525-L529 HydrophobicContact CH2-CD2 3.89Å; W525-L529 HydrophobicContact CH2-CG 4.45Å; W525-L529 HydrophobicContact CZ3-CB 4.32Å; W525-L529 HydrophobicContact CZ3-CD2 3.58Å; W525-L529 HydrophobicContact CZ3-CG 4.38Å; W525-L529 VanDerWaalsContact O-CB 3.3Å; W525-L529 WeakPolarHBondContact O-CB 3.42Å; W525-L529 PolarHBondContact O-N 2.92Å; F527-L529 PolarHBondContact O-N 3.42Å; L529-F532 PolarHBondContact O-N 3.49Å; L529-A533 WeakPolarHBondContact O-CB 3.31Å; L529-A533 PolarHBondContact O-N 2.97Å
530F96Very high93.3Very high65 Ų6556.7 Ų56.729%0.28531%0.306SS..Hα-helixtrans-64.1-46.6-179.3-176.2-86.5000111.8G506 L509 I510 L526 F527 F532 A533 F534G506-F530 WeakPolarHBondContact O-CD1 3.31Å; G506-F530 WeakPolarHBondContact O-CE1 3.35Å; L509-F530 HydrophobicContact CB-CE1 4.19Å; I510-F530 HydrophobicContact CB-CB 4.47Å; I510-F530 HydrophobicContact CB-CD1 3.65Å; I510-F530 HydrophobicContact CB-CD2 4.29Å; I510-F530 HydrophobicContact CB-CE1 3.87Å; I510-F530 HydrophobicContact CB-CE2 4.48Å; I510-F530 HydrophobicContact CB-CG 3.87Å; I510-F530 HydrophobicContact CB-CZ 4.28Å; I510-F530 HydrophobicContact CD1-CB 3.72Å; I510-F530 HydrophobicContact CD1-CD1 4.39Å; I510-F530 HydrophobicContact CD1-CD2 3.83Å; I510-F530 HydrophobicContact CD1-CG 3.71Å; I510-F530 HydrophobicContact CG1-CD2 4.4Å; I510-F530 HydrophobicContact CG1-CG 4.3Å; I510-F530 HydrophobicContact CG2-CB 4.49Å; I510-F530 HydrophobicContact CG2-CD1 3.96Å; I510-F530 HydrophobicContact CG2-CG 4.29Å; L526-F530 WeakPolarHBondContact O-CB 3.33Å; L526-F530 PolarHBondContact O-N 3.35Å; F527-F530 PolarHBondContact O-N 2.92Å; F530-F532 VanDerWaalsContact C-N 3.35Å; F530-F532 PolarHBondContact O-N 3.06Å; F530-A533 PolarHBondContact O-N 3.44Å; F530-F534 HydrophobicContact CE1-CB 4.31Å; F530-F534 VanDerWaalsContact O-CB 3.25Å; F530-F534 WeakPolarHBondContact O-CB 3.45Å; F530-F534 PolarHBondContact O-N 2.83Å
531G96Very high94.1Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-61.2-43.617800000112.1F527 F534 A535F527-G531 PolarHBondContact O-N 3.33Å; G531-F534 PolarHBondContact O-N 3.43Å; G531-A535 WeakPolarHBondContact O-CB 3.44Å; G531-A535 PolarHBondContact O-N 3.43Å
532F97.3Very high94.6Very high80 Ų8056.4 Ų56.435%0.35129%0.292SS..Hα-helixtrans-60.3-48.2175174.5-101.1000112.1L528 L529 F530 F534 A535 G536 T585 A588 V589L528-F532 WeakPolarHBondContact O-CB 3.49Å; L528-F532 PolarHBondContact O-N 3.49Å; L528-F532 VanDerWaalsContact O-N 3.11Å; L529-F532 PolarHBondContact O-N 3.49Å; F530-F532 VanDerWaalsContact C-N 3.35Å; F530-F532 PolarHBondContact O-N 3.06Å; F532-F534 PolarHBondContact O-N 3.47Å; F532-A535 PolarHBondContact O-N 3.11Å; F532-G536 PolarHBondContact O-N 3.39Å; F532-T585 HydrophobicContact CE2-CG2 4.03Å; F532-T585 HydrophobicContact CZ-CG2 4.1Å; F532-A588 HydrophobicContact CD2-CB 3.75Å; F532-A588 HydrophobicContact CE2-CB 4.16Å; F532-V589 HydrophobicContact CD2-CG2 4.23Å; F532-V589 HydrophobicContact CE2-CG2 3.77Å
533A96.9Very high95Very high55 Ų5555.3 Ų55.346%0.45529%0.286SS..Hα-helixtrans-64.9-39179.300000112.4L529 F530 G536 L537L529-A533 WeakPolarHBondContact O-CB 3.31Å; L529-A533 PolarHBondContact O-N 2.97Å; F530-A533 PolarHBondContact O-N 3.44Å; A533-G536 PolarHBondContact O-N 2.97Å; A533-L537 WeakPolarHBondContact O-CB 3.5Å; A533-L537 PolarHBondContact O-N 3.15Å
534F96.9Very high95.2Very high46 Ų4657.9 Ų57.920%0.20229%0.288CS..Hα-helixtrans-63.6-49.4177.1177.6-96.6000111.5L502 L505 L509 F530 G531 F532 G536 L537 C538L502-F534 HydrophobicContact CB-CE1 4.41Å; L502-F534 HydrophobicContact CD2-CE1 4.19Å; L502-F534 VanDerWaalsContact O-CD1 3.22Å; L502-F534 WeakPolarHBondContact O-CD1 3.32Å; L505-F534 HydrophobicContact CB-CE1 4.43Å; L505-F534 HydrophobicContact CD2-CE1 4.12Å; L505-F534 HydrophobicContact CD2-CZ 4.3Å; L505-F534 HydrophobicContact CG-CE1 4.33Å; L509-F534 HydrophobicContact CD1-CD2 4.02Å; L509-F534 HydrophobicContact CD1-CE1 4.01Å; L509-F534 HydrophobicContact CD1-CE2 3.39Å; L509-F534 HydrophobicContact CD1-CZ 3.38Å; F530-F534 HydrophobicContact CE1-CB 4.31Å; F530-F534 VanDerWaalsContact O-CB 3.25Å; F530-F534 WeakPolarHBondContact O-CB 3.45Å; F530-F534 PolarHBondContact O-N 2.83Å; G531-F534 PolarHBondContact O-N 3.43Å; F532-F534 PolarHBondContact O-N 3.47Å; F534-G536 VanDerWaalsContact C-N 3.34Å; F534-G536 PolarHBondContact O-N 3.16Å; F534-L537 PolarHBondContact O-N 2.85Å; F534-C538 PolarHBondContact O-N 3.49Å; F534-C538 PolarHBondContact O-SG 3.42Å
535A96.9Very high95.3Very high2 Ų263.8 Ų63.82%0.01731%0.307CS..Hα-helixtrans-61.7-42.617700000111.9P499 L502 T503 G531 F532 L537 C538 G539 A588P499-A535 HydrophobicContact CB-CB 4.38Å; L502-A535 HydrophobicContact CB-CB 4Å; T503-A535 VanDerWaalsContact OG1-CB 3.22Å; T503-A535 WeakPolarHBondContact OG1-CB 3.22Å; G531-A535 WeakPolarHBondContact O-CB 3.44Å; G531-A535 PolarHBondContact O-N 3.43Å; F532-A535 PolarHBondContact O-N 3.11Å; A535-L537 PolarHBondContact O-N 2.85Å; A535-C538 PolarHBondContact O-N 3.48Å; A535-G539 PolarHBondContact O-N 2.84Å; A535-A588 HydrophobicContact CB-CB 4.03Å
536G95.2Very high95.3Very high29 Ų2956.4 Ų56.430%0.29928%0.28SS..Hα-helixtrans-59.9-43.4175.300000112.7F532 A533 F534 G539 V540F532-G536 PolarHBondContact O-N 3.39Å; A533-G536 PolarHBondContact O-N 2.97Å; F534-G536 VanDerWaalsContact C-N 3.34Å; F534-G536 PolarHBondContact O-N 3.16Å; G536-G539 PolarHBondContact O-N 2.79Å; G536-V540 WeakPolarHBondContact O-CG2 3.37Å; G536-V540 PolarHBondContact O-N 3.41Å
537L96.7Very high95.3Very high95 Ų9558.7 Ų58.750%0.49729%0.287SS..Hα-helixtrans-64.8-43177.2-177.164.4000112.1A533 F534 A535 G539 V540 F541A533-L537 WeakPolarHBondContact O-CB 3.5Å; A533-L537 PolarHBondContact O-N 3.15Å; F534-L537 PolarHBondContact O-N 2.85Å; A535-L537 PolarHBondContact O-N 2.85Å; L537-G539 VanDerWaalsContact C-N 3.32Å; L537-G539 PolarHBondContact O-N 2.89Å; L537-V540 PolarHBondContact O-N 3.42Å; L537-F541 HydrophobicContact CD1-CD2 4.15Å; L537-F541 HydrophobicContact CD1-CE2 3.67Å; L537-F541 HydrophobicContact CD1-CZ 4.34Å; L537-F541 HydrophobicContact CD2-CE2 4.08Å; L537-F541 HydrophobicContact CG-CD2 3.92Å; L537-F541 HydrophobicContact CG-CE2 3.64Å; L537-F541 VanDerWaalsContact O-CD2 3.28Å; L537-F541 WeakPolarHBondContact O-CD2 3.38Å; L537-F541 PolarHBondContact O-N 2.96Å
538C96.3Very high95.3Very high37 Ų3763 Ų6325%0.2531%0.309CS..Hα-helixtrans-61-41.3173.9-72.50000111.9L502 F534 A535 V540 F541 W542L502-C538 HydrophobicContact CD1-CB 3.71Å; L502-C538 HydrophobicContact CD2-CB 4.46Å; F534-C538 PolarHBondContact O-N 3.49Å; F534-C538 PolarHBondContact O-SG 3.42Å; A535-C538 PolarHBondContact O-N 3.48Å; C538-V540 VanDerWaalsContact C-N 3.35Å; C538-V540 PolarHBondContact O-N 3.3Å; C538-F541 PolarHBondContact O-N 3.26Å; C538-W542 PolarHBondContact O-N 2.75Å
539G94.5Very high94.9Very high5 Ų562.7 Ų62.75%0.05231%0.309CS..Hα-helixtrans-59.8-42.6174.600000112.4A535 G536 L537 F541 W542 E543A535-G539 PolarHBondContact O-N 2.84Å; G536-G539 PolarHBondContact O-N 2.79Å; L537-G539 VanDerWaalsContact C-N 3.32Å; L537-G539 PolarHBondContact O-N 2.89Å; G539-F541 PolarHBondContact O-N 3.27Å; G539-W542 WeakPolarHBondContact O-CB 3.36Å; G539-W542 PolarHBondContact O-N 3.28Å; G539-E543 PolarHBondContact O-N 2.87Å; G539-E543 VanDerWaalsContact O-N 3.16Å
540V96.1Very high94.5Very high55 Ų5559.3 Ų59.333%0.33329%0.292SS..Hα-helixtrans-62.8-42.6174.3172.40000112G536 L537 C538 W542 E543 F544 L581G536-V540 WeakPolarHBondContact O-CG2 3.37Å; G536-V540 PolarHBondContact O-N 3.41Å; L537-V540 PolarHBondContact O-N 3.42Å; C538-V540 VanDerWaalsContact C-N 3.35Å; C538-V540 PolarHBondContact O-N 3.3Å; V540-W542 VanDerWaalsContact C-N 3.27Å; V540-W542 PolarHBondContact O-N 3.3Å; V540-E543 PolarHBondContact O-N 2.54Å; V540-F544 HydrophobicContact CG1-CD1 4.46Å; V540-F544 HydrophobicContact CG1-CD2 4.49Å; V540-F544 HydrophobicContact CG1-CE1 3.87Å; V540-F544 HydrophobicContact CG1-CE2 3.89Å; V540-F544 HydrophobicContact CG1-CZ 3.55Å; V540-F544 WeakPolarHBondContact O-CG 3.15Å; V540-F544 PolarHBondContact O-N 3.49Å; V540-F544 VanDerWaalsContact O-N 3.07Å; V540-L581 HydrophobicContact CG2-CD2 4.14Å
541F96.3Very high94.1Very high119 Ų11960.6 Ų60.652%0.52231%0.305SS..Hα-helixtrans-66.4-29.6176.7-79.4-57000113.2L537 C538 G539 F544 W545L537-F541 HydrophobicContact CD1-CD2 4.15Å; L537-F541 HydrophobicContact CD1-CE2 3.67Å; L537-F541 HydrophobicContact CD1-CZ 4.34Å; L537-F541 HydrophobicContact CD2-CE2 4.08Å; L537-F541 HydrophobicContact CG-CD2 3.92Å; L537-F541 HydrophobicContact CG-CE2 3.64Å; L537-F541 VanDerWaalsContact O-CD2 3.28Å; L537-F541 WeakPolarHBondContact O-CD2 3.38Å; L537-F541 PolarHBondContact O-N 2.96Å; C538-F541 PolarHBondContact O-N 3.26Å; G539-F541 PolarHBondContact O-N 3.27Å; F541-F544 AromaticContact CD1-CD2 3.79Å; F541-F544 HydrophobicContact CD1-CD2 3.79Å; F541-F544 HydrophobicContact CD1-CE2 4.32Å; F541-F544 HydrophobicContact CE1-CD2 4.19Å; F541-F544 HydrophobicContact CE1-CE2 4.38Å; F541-F544 PolarHBondContact O-N 2.88Å; F541-W545 PolarHBondContact O-N 3.04Å
542W94.6Very high93.6Very high121 Ų12165.9 Ų65.946%0.45834%0.337SS..Hα-helixtrans-63.8-47.5172.3-174.8-92.8000111.2H495 C538 G539 V540 F544 W545 E546H495-W542 AromaticContact CE1-CD1 3.82Å; H495-W542 AromaticContact CE1-NE1 3.91Å; C538-W542 PolarHBondContact O-N 2.75Å; G539-W542 WeakPolarHBondContact O-CB 3.36Å; G539-W542 PolarHBondContact O-N 3.28Å; V540-W542 VanDerWaalsContact C-N 3.27Å; V540-W542 PolarHBondContact O-N 3.3Å; W542-F544 PolarHBondContact O-N 3.06Å; W542-W545 WeakPolarHBondContact O-CA 3.07Å; W542-W545 VanDerWaalsContact O-CB 3.31Å; W542-W545 WeakPolarHBondContact O-CB 3.3Å; W542-W545 PolarHBondContact O-N 2.9Å; W542-E546 PolarHBondContact NE1-OE1 2.87Å; W542-E546 PolarHBondContact O-N 2.84Å
543E94.2Very high92.8Very high7 Ų765 Ų653%0.03335%0.345CS..Hα-helixtrans-60.6-34.6174.3-61.4-59.414500112.5G539 V540 W545 E546 F547 Q558 T577 D580 L581G539-E543 PolarHBondContact O-N 2.87Å; G539-E543 VanDerWaalsContact O-N 3.16Å; V540-E543 PolarHBondContact O-N 2.54Å; E543-W545 VanDerWaalsContact C-N 3.33Å; E543-E546 PolarHBondContact O-N 2.94Å; E543-F547 WeakPolarHBondContact O-CB 3.35Å; E543-F547 PolarHBondContact O-N 3.13Å; E543-Q558 PolarHBondContact O-NE2 3.04Å; E543-Q558 PolarHBondContact OE2-NE2 3.42Å; E543-T577 HydrophobicContact CG-CG2 4.2Å; E543-T577 WeakPolarHBondContact OE2-CA 3.45Å; E543-T577 WeakPolarHBondContact OE2-CB 3.48Å; E543-T577 VanDerWaalsContact OE2-CG2 3.24Å; E543-T577 WeakPolarHBondContact OE2-CG2 3.41Å; E543-T577 PolarHBondContact OE2-OG1 3.46Å; E543-D580 WeakPolarHBondContact OE1-CB 3.27Å; E543-L581 HydrophobicContact CG-CD1 4.31Å; E543-L581 HydrophobicContact CG-CD2 3.67Å; E543-L581 HydrophobicContact CG-CG 3.85Å
544F95.6Very high91.9Very high125 Ų12569.2 Ų69.255%0.54836%0.359SS..Hα-helixtrans-66.5-37.3174-67.7-9.2000112.4V540 F541 W542 L548V540-F544 HydrophobicContact CG1-CD1 4.46Å; V540-F544 HydrophobicContact CG1-CD2 4.49Å; V540-F544 HydrophobicContact CG1-CE1 3.87Å; V540-F544 HydrophobicContact CG1-CE2 3.89Å; V540-F544 HydrophobicContact CG1-CZ 3.55Å; V540-F544 WeakPolarHBondContact O-CG 3.15Å; V540-F544 PolarHBondContact O-N 3.49Å; V540-F544 VanDerWaalsContact O-N 3.07Å; F541-F544 AromaticContact CD1-CD2 3.79Å; F541-F544 HydrophobicContact CD1-CD2 3.79Å; F541-F544 HydrophobicContact CD1-CE2 4.32Å; F541-F544 HydrophobicContact CE1-CD2 4.19Å; F541-F544 HydrophobicContact CE1-CE2 4.38Å; F541-F544 PolarHBondContact O-N 2.88Å; W542-F544 PolarHBondContact O-N 3.06Å; F544-L548 WeakPolarHBondContact O-CB 3.34Å; F544-L548 PolarHBondContact O-N 3.19Å
545W93Very high91.2Very high148 Ų14870.5 Ų70.556%0.56137%0.367SS*.Hα-helixtrans-65.1-46.6174.9173.6-96.5000111F541 W542 E543 F547 L548 C549F541-W545 PolarHBondContact O-N 3.04Å; W542-W545 WeakPolarHBondContact O-CA 3.07Å; W542-W545 VanDerWaalsContact O-CB 3.31Å; W542-W545 WeakPolarHBondContact O-CB 3.3Å; W542-W545 PolarHBondContact O-N 2.9Å; E543-W545 VanDerWaalsContact C-N 3.33Å; W545-F547 PolarHBondContact O-N 3Å; W545-L548 WeakPolarHBondContact O-CB 3.38Å; W545-L548 PolarHBondContact O-N 3.4Å; W545-C549 PolarHBondContact O-N 3.1Å
546E91.6Very high90.6Very high14 Ų1473.2 Ų73.27%0.06538%0.381CS..Hα-helixtrans-60.1-47.5176.4-69-175.6165.100111.9W542 E543 L548 C549 D550 L557 Q558W542-E546 PolarHBondContact NE1-OE1 2.87Å; W542-E546 PolarHBondContact O-N 2.84Å; E543-E546 PolarHBondContact O-N 2.94Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 2.85Å; E546-C549 WeakPolarHBondContact O-CB 3.4Å; E546-C549 PolarHBondContact O-N 3.46Å; E546-D550 WeakPolarHBondContact O-CB 3.4Å; E546-D550 PolarHBondContact O-N 3Å; E546-L557 HydrophobicContact CB-CB 3.88Å; E546-L557 HydrophobicContact CB-CD1 4.34Å; E546-L557 HydrophobicContact CG-CB 3.94Å; E546-L557 HydrophobicContact CG-CD1 4.16Å; E546-Q558 HydrophobicContact CB-CG 3.73Å
547F93.7Very high90.2Very high124 Ų12474.5 Ų74.554%0.54438%0.381SS..Hα-helixtrans-57.5-40.4175.1178.4-98.1000112.5E543 W545 D550 T551E543-F547 WeakPolarHBondContact O-CB 3.35Å; E543-F547 PolarHBondContact O-N 3.13Å; W545-F547 PolarHBondContact O-N 3Å; F547-D550 PolarHBondContact O-N 2.79Å; F547-T551 WeakPolarHBondContact O-CB 3.32Å; F547-T551 PolarHBondContact O-N 2.64Å; F547-T551 PolarHBondContact O-OG1 2.96Å
548L92.4Very high89.8Confident90 Ų9071.2 Ų71.247%0.47136%0.363SS..Hα-helixtrans-66.4-44.2177.7-177.167.2000111.4F544 W545 E546 T551 V552F544-L548 WeakPolarHBondContact O-CB 3.34Å; F544-L548 PolarHBondContact O-N 3.19Å; W545-L548 WeakPolarHBondContact O-CB 3.38Å; W545-L548 PolarHBondContact O-N 3.4Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 2.85Å; L548-T551 PolarHBondContact O-N 2.96Å; L548-V552 HydrophobicContact CD1-CG2 3.74Å; L548-V552 HydrophobicContact CG-CG2 4.31Å; L548-V552 WeakPolarHBondContact O-CB 3.46Å; L548-V552 WeakPolarHBondContact O-CG2 3.45Å; L548-V552 PolarHBondContact O-N 2.67Å
549C86.2Confident89.4Confident19 Ų1973.9 Ų73.913%0.12837%0.368CS..Hα-helixtrans-61.7-43.6174.8-78.70000111.9W545 E546 T551 A553 M555 L557W545-C549 PolarHBondContact O-N 3.1Å; E546-C549 WeakPolarHBondContact O-CB 3.4Å; E546-C549 PolarHBondContact O-N 3.46Å; C549-T551 VanDerWaalsContact C-N 3.27Å; C549-T551 PolarHBondContact O-N 2.86Å; C549-A553 WeakPolarHBondContact O-CA 3.3Å; C549-A553 WeakPolarHBondContact O-CB 3.34Å; C549-A553 PolarHBondContact O-N 3.16Å; C549-M555 HydrophobicContact CB-SD 3.8Å; C549-L557 HydrophobicContact CB-CD1 3.53Å
550D88.5Confident89.1Confident10 Ų1077 Ų775%0.05338%0.378CS..Hα-helixtrans-62.5-35.7175.9-74.7-1.5000111.9E546 F547 M555 N556 L557 Q558 Y560E546-D550 WeakPolarHBondContact O-CB 3.4Å; E546-D550 PolarHBondContact O-N 3Å; F547-D550 PolarHBondContact O-N 2.79Å; D550-M555 WeakPolarHBondContact OD1-CB 3.26Å; D550-N556 WeakPolarHBondContact OD1-CA 3.32Å; D550-N556 PolarHBondContact OD1-N 2.84Å; D550-N556 VanDerWaalsContact OD1-N 3.15Å; D550-L557 WeakPolarHBondContact OD1-CB 3.5Å; D550-L557 PolarHBondContact OD1-N 3.22Å; D550-L557 PolarHBondContact OD2-N 3.19Å; D550-Q558 WeakPolarHBondContact OD2-CB 3.47Å; D550-Q558 PolarHBondContact OD2-N 2.88Å; D550-Y560 HydrophobicContact CB-CD1 4.4Å; D550-Y560 HydrophobicContact CB-CE1 3.81Å
551T86.9Confident88.6Confident91 Ų9175 Ų7556%0.55837%0.368SS*.Hα-helixtrans-78.9-41.9-180-57.30000113.2F547 L548 C549F547-T551 WeakPolarHBondContact O-CB 3.32Å; F547-T551 PolarHBondContact O-N 2.64Å; F547-T551 PolarHBondContact O-OG1 2.96Å; L548-T551 PolarHBondContact O-N 2.96Å; C549-T551 VanDerWaalsContact C-N 3.27Å; C549-T551 PolarHBondContact O-N 2.86Å
552V84.8Confident87.8Confident112 Ų11271.8 Ų71.868%0.67936%0.358SS*.Hα-helixtrans-96.9-32.3-168.91780000112.3L548L548-V552 HydrophobicContact CD1-CG2 3.74Å; L548-V552 HydrophobicContact CG-CG2 4.31Å; L548-V552 WeakPolarHBondContact O-CB 3.46Å; L548-V552 WeakPolarHBondContact O-CG2 3.45Å; L548-V552 PolarHBondContact O-N 2.67Å
553A80.7Confident86.6Confident62 Ų6272.8 Ų72.851%0.51238%0.383SS..SBendtrans-111.911.1-174.800000113.4C549 M555C549-A553 WeakPolarHBondContact O-CA 3.3Å; C549-A553 WeakPolarHBondContact O-CB 3.34Å; C549-A553 PolarHBondContact O-N 3.16Å; A553-M555 HydrophobicContact CB-CG 3.86Å; A553-M555 HydrophobicContact CB-SD 4.12Å; A553-M555 PolarHBondContact O-N 3Å
554D77.9Confident85.2Confident142 Ų14277 Ų7776%0.75942%0.419SS*.  trans50.440-179.7-161.336.6000112.2
555M82.5Confident84.2Confident73 Ų7373.7 Ų73.736%0.3642%0.421SS..  trans-85.1179.9176.1-60.3-175.378.900110.5C549 D550 A553 L557 Y560C549-M555 HydrophobicContact CB-SD 3.8Å; D550-M555 WeakPolarHBondContact OD1-CB 3.26Å; A553-M555 HydrophobicContact CB-CG 3.86Å; A553-M555 HydrophobicContact CB-SD 4.12Å; A553-M555 PolarHBondContact O-N 3Å; M555-L557 HydrophobicContact CB-CG 4.14Å; M555-L557 HydrophobicContact CE-CD1 4.14Å; M555-L557 HydrophobicContact CE-CD2 3.82Å; M555-L557 HydrophobicContact CE-CG 4.07Å; M555-L557 HydrophobicContact SD-CD1 4.15Å; M555-L557 HydrophobicContact SD-CG 4.41Å; M555-Y560 WeakPolarHBondContact O-CE1 3.4Å; M555-Y560 PolarHBondContact O-OH 3.41Å
556N85.2Confident83.7Confident60 Ų6074 Ų7432%0.32143%0.426SS..  trans-140.443.8177-172.240.8000110.5D550 R559 Y560 A561D550-N556 WeakPolarHBondContact OD1-CA 3.32Å; D550-N556 PolarHBondContact OD1-N 2.84Å; D550-N556 VanDerWaalsContact OD1-N 3.15Å; N556-R559 PolarHBondContact O-N 3.14Å; N556-R559 WeakPolarHBondContact OD1-CA 3.1Å; N556-Y560 WeakPolarHBondContact OD1-CD1 3.4Å; N556-Y560 PolarHBondContact OD1-N 3.3Å; N556-A561 PolarHBondContact ND2-O 3.44Å; N556-A561 PolarHBondContact OD1-N 2.93Å
557L85.8Confident83.5Confident55 Ų5578.6 Ų78.629%0.28845%0.451SS..THydrogen-bonded Turntrans-63.4-40.8-179.4-63.6-179.5000111.4E546 C549 D550 M555 R559E546-L557 HydrophobicContact CB-CB 3.88Å; E546-L557 HydrophobicContact CB-CD1 4.34Å; E546-L557 HydrophobicContact CG-CB 3.94Å; E546-L557 HydrophobicContact CG-CD1 4.16Å; C549-L557 HydrophobicContact CB-CD1 3.53Å; D550-L557 WeakPolarHBondContact OD1-CB 3.5Å; D550-L557 PolarHBondContact OD1-N 3.22Å; D550-L557 PolarHBondContact OD2-N 3.19Å; M555-L557 HydrophobicContact CB-CG 4.14Å; M555-L557 HydrophobicContact CE-CD1 4.14Å; M555-L557 HydrophobicContact CE-CD2 3.82Å; M555-L557 HydrophobicContact CE-CG 4.07Å; M555-L557 HydrophobicContact SD-CD1 4.15Å; M555-L557 HydrophobicContact SD-CG 4.41Å; L557-R559 PolarHBondContact O-N 2.66Å
558Q90Very high83.3Confident27 Ų2774.9 Ų74.913%0.12644%0.436CS..THydrogen-bonded Turntrans-82.17.2175.5-58.2-165.3-54.700113.7E543 E546 D550 Y560 D576 T577E543-Q558 PolarHBondContact O-NE2 3.04Å; E543-Q558 PolarHBondContact OE2-NE2 3.42Å; E546-Q558 HydrophobicContact CB-CG 3.73Å; D550-Q558 WeakPolarHBondContact OD2-CB 3.47Å; D550-Q558 PolarHBondContact OD2-N 2.88Å; Q558-Y560 PolarHBondContact O-N 2.91Å; Q558-Y560 VanDerWaalsContact O-N 3.11Å; Q558-D576 WeakPolarHBondContact O-CB 3.36Å; Q558-T577 PolarHBondContact NE2-OG1 3.35Å; Q558-T577 VanDerWaalsContact NE2-OG1 3.15Å
559R87.5Confident83.1Confident92 Ų9276.3 Ų76.335%0.34745%0.449SS..  trans48.739.4-179.1-61.9-174176.4126.21.8114.5D491 N556 L557 A561 L568 D576D491-R559 IonicContact OD2-CZ 3.81Å; D491-R559 IonicContact OD2-NH1 2.99Å; D491-R559 PolarHBondContact OD2-NH1 3.06Å; D491-R559 IonicContact OD2-NH2 3.81Å; N556-R559 PolarHBondContact O-N 3.14Å; N556-R559 WeakPolarHBondContact OD1-CA 3.1Å; L557-R559 PolarHBondContact O-N 2.66Å; R559-A561 PolarHBondContact O-N 3.21Å; R559-L568 VanDerWaalsContact O-CD1 3.31Å; R559-L568 WeakPolarHBondContact O-CD1 3.49Å; R559-D576 HydrophobicContact CB-CB 4.05Å; R559-D576 WeakPolarHBondContact CB-OD2 3.12Å; R559-D576 WeakPolarHBondContact CD-OD2 3.47Å; R559-D576 WeakPolarHBondContact CG-OD2 3.45Å; R559-D576 IonicContact CZ-OD1 3.86Å; R559-D576 IonicContact NE-OD2 2.73Å; R559-D576 IonicContact NH1-OD1 2.85Å; R559-D576 PolarHBondContact NH1-OD1 3.29Å; R559-D576 IonicContact NH1-OD2 3.65Å
560Y88.3Confident83.3Confident70 Ų7077.9 Ų77.928%0.27547%0.468SS..  trans-72.1-12.317770.7-88.2000112.9D550 M555 N556 Q558 L567 L568D550-Y560 HydrophobicContact CB-CD1 4.4Å; D550-Y560 HydrophobicContact CB-CE1 3.81Å; M555-Y560 WeakPolarHBondContact O-CE1 3.4Å; M555-Y560 PolarHBondContact O-OH 3.41Å; N556-Y560 WeakPolarHBondContact OD1-CD1 3.4Å; N556-Y560 PolarHBondContact OD1-N 3.3Å; Q558-Y560 PolarHBondContact O-N 2.91Å; Q558-Y560 VanDerWaalsContact O-N 3.11Å; Y560-L567 HydrophobicContact CD2-CD2 3.75Å; Y560-L567 HydrophobicContact CE2-CD2 3.61Å; Y560-L568 WeakPolarHBondContact O-CB 3.47Å; Y560-L568 PolarHBondContact O-N 3.27Å
561A84.7Confident83.5Confident14 Ų1487.1 Ų87.112%0.11650%0.502CS..BIsolated β-bridgetrans-123.6150.7172.400000112.1N556 R559 K566 L567N556-A561 PolarHBondContact ND2-O 3.44Å; N556-A561 PolarHBondContact OD1-N 2.93Å; R559-A561 PolarHBondContact O-N 3.21Å; A561-K566 WeakPolarHBondContact CA-O 3.12Å; A561-L567 HydrophobicContact CB-CD2 4.22Å
562T79.4Confident83.5Confident52 Ų5288.8 Ų88.832%0.31950%0.504SS..  trans-68.7162.3167.763.80000111.2A564 G565 K566 L568T562-A564 PolarHBondContact O-N 3.23Å; T562-G565 PolarHBondContact O-N 2.56Å; T562-K566 HydrophobicContact CG2-CB 4.45Å; T562-K566 PolarHBondContact N-O 2.88Å; T562-K566 WeakPolarHBondContact OG1-CB 3.49Å; T562-K566 PolarHBondContact OG1-N 2.85Å; T562-K566 PolarHBondContact OG1-O 3.17Å; T562-L568 HydrophobicContact CG2-CD2 3.76Å
563S69Low83.7Confident141 Ų14184.8 Ų84.899%0.98648%0.482SS*.THydrogen-bonded Turntrans-55.9-21.5173.8-46.20000113.9G565S563-G565 VanDerWaalsContact C-N 3.32Å
564A66Low84.3Confident95 Ų9586.9 Ų86.979%0.78548%0.484SS*.THydrogen-bonded Turntrans-88.49.1175.100000113.7T562 K566T562-A564 PolarHBondContact O-N 3.23Å; A564-K566 VanDerWaalsContact C-N 3.27Å; A564-K566 PolarHBondContact O-N 2.78Å
565G73.7Confident84.9Confident57 Ų5784.9 Ų84.959%0.58847%0.471SS*.SBendtrans76.93.5179.700000115.2T562 S563 L567T562-G565 PolarHBondContact O-N 2.56Å; S563-G565 VanDerWaalsContact C-N 3.32Å; G565-L567 PolarHBondContact O-N 3.36Å
566K82.6Confident85.3Confident154 Ų15482.4 Ų82.467%0.6746%0.459SS*.PPolyproline II helixtrans-72.5117.9174.2-176.3-172.9175.7-170.50109.7A561 T562 A564 L568A561-K566 WeakPolarHBondContact CA-O 3.12Å; T562-K566 HydrophobicContact CG2-CB 4.45Å; T562-K566 PolarHBondContact N-O 2.88Å; T562-K566 WeakPolarHBondContact OG1-CB 3.49Å; T562-K566 PolarHBondContact OG1-N 2.85Å; T562-K566 PolarHBondContact OG1-O 3.17Å; A564-K566 VanDerWaalsContact C-N 3.27Å; A564-K566 PolarHBondContact O-N 2.78Å; K566-L568 PolarHBondContact O-N 3.04Å
567L88.6Confident85.7Confident110 Ų11080.7 Ų80.758%0.57645%0.451SS*.BIsolated β-bridgetrans-60.8130.1173-61.2175.8000110.7Y560 A561 G565Y560-L567 HydrophobicContact CD2-CD2 3.75Å; Y560-L567 HydrophobicContact CE2-CD2 3.61Å; A561-L567 HydrophobicContact CB-CD2 4.22Å; G565-L567 PolarHBondContact O-N 3.36Å
568L88.4Confident86.1Confident46 Ų4682.8 Ų82.824%0.24146%0.461CS..PPolyproline II helixtrans-75151.1169.8-60.2179.2000109.3R559 Y560 T562 K566 E572 A573R559-L568 VanDerWaalsContact O-CD1 3.31Å; R559-L568 WeakPolarHBondContact O-CD1 3.49Å; Y560-L568 WeakPolarHBondContact O-CB 3.47Å; Y560-L568 PolarHBondContact O-N 3.27Å; T562-L568 HydrophobicContact CG2-CD2 3.76Å; K566-L568 PolarHBondContact O-N 3.04Å; L568-E572 HydrophobicContact CB-CB 4.08Å; L568-E572 HydrophobicContact CD1-CB 4.4Å; L568-E572 HydrophobicContact CD2-CB 4.48Å; L568-A573 HydrophobicContact CB-CB 3.94Å
569V88.3Confident86.2Confident121 Ų12182.3 Ų82.373%0.73346%0.464SS*.  trans-127.3138.8-175.2-177.40000110.7
570G91.7Very high86.5Confident52 Ų5278 Ų7854%0.53645%0.447SS..THydrogen-bonded Turntrans68.9-131.5175.700000112E572 A573G570-E572 VanDerWaalsContact C-N 3.26Å; G570-E572 PolarHBondContact O-N 3.22Å; G570-A573 PolarHBondContact O-N 2.65Å
571R91.8Very high86.9Confident203 Ų20376.8 Ų76.877%0.76645%0.445SS*.THydrogen-bonded Turntrans-61.4-33.6-175-174.4176.4177.3-175.80.2112.8A573 L574 M575R571-A573 VanDerWaalsContact C-N 3.33Å; R571-A573 PolarHBondContact O-N 2.84Å; R571-L574 PolarHBondContact O-N 2.89Å; R571-L574 VanDerWaalsContact O-N 3.12Å; R571-M575 HydrophobicContact CG-SD 4.21Å; R571-M575 WeakPolarHBondContact O-CG 3.29Å; R571-M575 PolarHBondContact O-N 2.84Å
572E86Confident87.4Confident127 Ų12781.1 Ų81.159%0.59347%0.466SS*.G310 helixtrans-60.8-41.3-178.8-71-176.4170.900112.2L568 G570 L574 M575L568-E572 HydrophobicContact CB-CB 4.08Å; L568-E572 HydrophobicContact CD1-CB 4.4Å; L568-E572 HydrophobicContact CD2-CB 4.48Å; G570-E572 VanDerWaalsContact C-N 3.26Å; G570-E572 PolarHBondContact O-N 3.22Å; E572-L574 PolarHBondContact O-N 2.85Å; E572-M575 PolarHBondContact O-N 3.15Å
573A90.2Very high88.1Confident27 Ų2779.7 Ų79.722%0.22346%0.457CS..G310 helixtrans-67.8-12.6178.400000113.9L568 G570 R571L568-A573 HydrophobicContact CB-CB 3.94Å; G570-A573 PolarHBondContact O-N 2.65Å; R571-A573 VanDerWaalsContact C-N 3.33Å; R571-A573 PolarHBondContact O-N 2.84Å
574L92.9Very high89.3Confident106 Ų10673.5 Ų73.556%0.55541%0.413SS*.G310 helixtrans-103.4-9.1-179.8-59.4175.7000112.7R571 E572 D576 M578R571-L574 PolarHBondContact O-N 2.89Å; R571-L574 VanDerWaalsContact O-N 3.12Å; E572-L574 PolarHBondContact O-N 2.85Å; L574-D576 VanDerWaalsContact C-N 3.32Å; L574-D576 PolarHBondContact O-N 2.75Å; L574-M578 HydrophobicContact CB-CG 4.39Å; L574-M578 VanDerWaalsContact O-CB 3.22Å; L574-M578 WeakPolarHBondContact O-CB 2.97Å; L574-M578 VanDerWaalsContact O-CG 3.26Å; L574-M578 WeakPolarHBondContact O-CG 3.45Å; L574-M578 PolarHBondContact O-N 3.23Å
575M91.5Very high90.8Very high101 Ų10171.8 Ų71.850%0.49839%0.393SS..Hα-helixtrans-67.5-31.2-167.9-80.7-57.8-55.100113.4R571 E572 G579R571-M575 HydrophobicContact CG-SD 4.21Å; R571-M575 WeakPolarHBondContact O-CG 3.29Å; R571-M575 PolarHBondContact O-N 2.84Å; E572-M575 PolarHBondContact O-N 3.15Å; M575-G579 WeakPolarHBondContact O-CA 3.47Å; M575-G579 PolarHBondContact O-N 3.37Å
576D89.6Confident91.8Very high20 Ų2073.7 Ų73.711%0.10739%0.389CS..Hα-helixtrans-72.6-64.8-179.2-153.149.1000110K492 Q558 R559 L574 M578 G579 D580K492-D576 IonicContact NZ-OD1 3.53Å; K492-D576 PolarHBondContact NZ-OD1 3.2Å; Q558-D576 WeakPolarHBondContact O-CB 3.36Å; R559-D576 HydrophobicContact CB-CB 4.05Å; R559-D576 WeakPolarHBondContact CB-OD2 3.12Å; R559-D576 WeakPolarHBondContact CD-OD2 3.47Å; R559-D576 WeakPolarHBondContact CG-OD2 3.45Å; R559-D576 IonicContact CZ-OD1 3.86Å; R559-D576 IonicContact NE-OD2 2.73Å; R559-D576 IonicContact NH1-OD1 2.85Å; R559-D576 PolarHBondContact NH1-OD1 3.29Å; R559-D576 IonicContact NH1-OD2 3.65Å; L574-D576 VanDerWaalsContact C-N 3.32Å; L574-D576 PolarHBondContact O-N 2.75Å; D576-M578 VanDerWaalsContact C-N 3.28Å; D576-M578 PolarHBondContact O-N 2.87Å; D576-M578 VanDerWaalsContact O-N 3.12Å; D576-G579 CarbonylContact O-C 3.56Å; D576-G579 VanDerWaalsContact O-CA 3.24Å; D576-G579 WeakPolarHBondContact O-CA 3.49Å; D576-G579 PolarHBondContact O-N 2.76Å; D576-D580 PolarHBondContact O-N 3.49Å
577T93.6Very high92.5Very high25 Ų2566.4 Ų66.415%0.15336%0.357CS..Hα-helixtrans-46.6-46.4173.6-64.10000113.6E543 Q558 D580 L581E543-T577 HydrophobicContact CG-CG2 4.2Å; E543-T577 WeakPolarHBondContact OE2-CA 3.45Å; E543-T577 WeakPolarHBondContact OE2-CB 3.48Å; E543-T577 VanDerWaalsContact OE2-CG2 3.24Å; E543-T577 WeakPolarHBondContact OE2-CG2 3.41Å; E543-T577 PolarHBondContact OE2-OG1 3.46Å; Q558-T577 PolarHBondContact NE2-OG1 3.35Å; Q558-T577 VanDerWaalsContact NE2-OG1 3.15Å; T577-D580 PolarHBondContact O-N 2.83Å; T577-L581 HydrophobicContact CG2-CD1 4.15Å; T577-L581 WeakPolarHBondContact O-CB 3.11Å; T577-L581 VanDerWaalsContact O-CG 3.3Å; T577-L581 WeakPolarHBondContact O-CG 3.32Å; T577-L581 PolarHBondContact O-N 3.39Å
578M94.6Very high92.9Very high98 Ų9861.2 Ų61.248%0.48333%0.33SS..Hα-helixtrans-69-36177.4-72-58-47.700112.4L574 D576 D580 L582L574-M578 HydrophobicContact CB-CG 4.39Å; L574-M578 VanDerWaalsContact O-CB 3.22Å; L574-M578 WeakPolarHBondContact O-CB 2.97Å; L574-M578 VanDerWaalsContact O-CG 3.26Å; L574-M578 WeakPolarHBondContact O-CG 3.45Å; L574-M578 PolarHBondContact O-N 3.23Å; D576-M578 VanDerWaalsContact C-N 3.28Å; D576-M578 PolarHBondContact O-N 2.87Å; D576-M578 VanDerWaalsContact O-N 3.12Å; M578-D580 VanDerWaalsContact C-N 3.35Å; M578-L582 WeakPolarHBondContact O-CB 3.39Å; M578-L582 WeakPolarHBondContact O-CD1 3.29Å; M578-L582 WeakPolarHBondContact O-CG 3.33Å; M578-L582 PolarHBondContact O-N 2.98Å; M578-L582 VanDerWaalsContact O-N 3.09Å
579G92.7Very high93.3Very high18 Ų1862.1 Ų62.119%0.18634%0.337CS..Hα-helixtrans-63.2-40.8173.400000112.1M575 D576 L582 T583M575-G579 WeakPolarHBondContact O-CA 3.47Å; M575-G579 PolarHBondContact O-N 3.37Å; D576-G579 CarbonylContact O-C 3.56Å; D576-G579 VanDerWaalsContact O-CA 3.24Å; D576-G579 WeakPolarHBondContact O-CA 3.49Å; D576-G579 PolarHBondContact O-N 2.76Å; G579-L582 PolarHBondContact O-N 2.95Å; G579-T583 WeakPolarHBondContact O-CB 3.49Å; G579-T583 PolarHBondContact O-N 3.2Å; G579-T583 PolarHBondContact O-OG1 3.02Å
580D93.8Very high93.7Very high1 Ų160.2 Ų60.21%0.00532%0.323CS..Hα-helixtrans-74.1-42.6-179-68.4-40.3000112.4K492 H495 E543 D576 T577 M578 L582 T583 N584K492-D580 WeakPolarHBondContact CD-OD1 3.21Å; K492-D580 WeakPolarHBondContact CE-OD1 3.38Å; K492-D580 IonicContact NZ-OD1 3.75Å; K492-D580 PolarHBondContact NZ-OD1 2.83Å; K492-D580 IonicContact NZ-OD2 3.76Å; K492-D580 PolarHBondContact NZ-OD2 3.15Å; H495-D580 IonicContact CD2-OD1 2.86Å; H495-D580 PolarHBondContact CD2-OD1 3.42Å; H495-D580 IonicContact CG-OD1 2.76Å; H495-D580 IonicContact NE2-OD1 3.85Å; E543-D580 WeakPolarHBondContact OE1-CB 3.27Å; D576-D580 PolarHBondContact O-N 3.49Å; T577-D580 PolarHBondContact O-N 2.83Å; M578-D580 VanDerWaalsContact C-N 3.35Å; D580-L582 VanDerWaalsContact C-N 3.3Å; D580-L582 PolarHBondContact O-N 2.85Å; D580-T583 PolarHBondContact O-N 3.16Å; D580-N584 WeakPolarHBondContact O-CB 3.43Å; D580-N584 PolarHBondContact O-N 2.86Å; D580-N584 PolarHBondContact O-ND2 2.94Å; D580-N584 VanDerWaalsContact O-ND2 3.14Å
581L95.2Very high93.9Very high45 Ų4558.8 Ų58.824%0.23630%0.302CS..Hα-helixtrans-59.3-39.5170.7-70.9174.6000112.6V540 E543 T577 T585V540-L581 HydrophobicContact CG2-CD2 4.14Å; E543-L581 HydrophobicContact CG-CD1 4.31Å; E543-L581 HydrophobicContact CG-CD2 3.67Å; E543-L581 HydrophobicContact CG-CG 3.85Å; T577-L581 HydrophobicContact CG2-CD1 4.15Å; T577-L581 WeakPolarHBondContact O-CB 3.11Å; T577-L581 VanDerWaalsContact O-CG 3.3Å; T577-L581 WeakPolarHBondContact O-CG 3.32Å; T577-L581 PolarHBondContact O-N 3.39Å; L581-T585 WeakPolarHBondContact O-CB 3.42Å; L581-T585 PolarHBondContact O-N 3.23Å; L581-T585 PolarHBondContact O-OG1 2.94Å
582L95.4Very high94Very high104 Ų10449.9 Ų49.955%0.54527%0.273SS..Hα-helixtrans-67.8-43.6175.1-76.6169.9000111.8M578 G579 D580 T585 I586M578-L582 WeakPolarHBondContact O-CB 3.39Å; M578-L582 WeakPolarHBondContact O-CD1 3.29Å; M578-L582 WeakPolarHBondContact O-CG 3.33Å; M578-L582 PolarHBondContact O-N 2.98Å; M578-L582 VanDerWaalsContact O-N 3.09Å; G579-L582 PolarHBondContact O-N 2.95Å; D580-L582 VanDerWaalsContact C-N 3.3Å; D580-L582 PolarHBondContact O-N 2.85Å; L582-T585 WeakPolarHBondContact O-CB 3.44Å; L582-T585 PolarHBondContact O-N 2.98Å; L582-I586 WeakPolarHBondContact O-CG1 3.28Å; L582-I586 PolarHBondContact O-N 2.89Å
583T94.2Very high94.5Very high23 Ų2348.1 Ų48.114%0.14127%0.267CS..Hα-helixtrans-65.4-42.2179.3-55.10000110.8H495 T496 G579 D580 T585 I586 G587H495-T583 HydrophobicContact CB-CG2 3.79Å; H495-T583 CarbonylContact O-C 3.58Å; T496-T583 WeakPolarHBondContact OG1-CG2 3.44Å; G579-T583 WeakPolarHBondContact O-CB 3.49Å; G579-T583 PolarHBondContact O-N 3.2Å; G579-T583 PolarHBondContact O-OG1 3.02Å; D580-T583 PolarHBondContact O-N 3.16Å; T583-T585 VanDerWaalsContact C-N 3.29Å; T583-T585 PolarHBondContact O-N 3.05Å; T583-I586 PolarHBondContact O-N 2.98Å; T583-I586 VanDerWaalsContact O-N 3.15Å; T583-G587 PolarHBondContact O-N 3.24Å
584N95Very high94.7Very high11 Ų1152.4 Ų52.46%0.05928%0.278CS..Hα-helixtrans-55.2-45.9171.6-74-29000111.1H495 P499 D580 G587 A588H495-N584 WeakPolarHBondContact CA-OD1 3.42Å; H495-N584 PolarHBondContact ND1-ND2 2.73Å; H495-N584 PolarHBondContact ND1-OD1 2.56Å; H495-N584 VanDerWaalsContact O-CA 3.31Å; H495-N584 WeakPolarHBondContact O-CA 3.36Å; H495-N584 PolarHBondContact O-N 3Å; H495-N584 PolarHBondContact O-OD1 2.88Å; H495-N584 VanDerWaalsContact O-OD1 3.07Å; P499-N584 HydrophobicContact CB-CB 4.46Å; P499-N584 WeakPolarHBondContact CB-O 3.41Å; P499-N584 WeakPolarHBondContact CG-O 3.28Å; D580-N584 WeakPolarHBondContact O-CB 3.43Å; D580-N584 PolarHBondContact O-N 2.86Å; D580-N584 PolarHBondContact O-ND2 2.94Å; D580-N584 VanDerWaalsContact O-ND2 3.14Å; N584-G587 PolarHBondContact O-N 2.92Å; N584-A588 PolarHBondContact O-N 3.43Å
585T96.2Very high94.8Very high59 Ų5947.4 Ų47.436%0.36225%0.252SS..Hα-helixtrans-62.6-44.1177.7-58.40000111.6F532 L581 L582 T583 A588 V589F532-T585 HydrophobicContact CE2-CG2 4.03Å; F532-T585 HydrophobicContact CZ-CG2 4.1Å; L581-T585 WeakPolarHBondContact O-CB 3.42Å; L581-T585 PolarHBondContact O-N 3.23Å; L581-T585 PolarHBondContact O-OG1 2.94Å; L582-T585 WeakPolarHBondContact O-CB 3.44Å; L582-T585 PolarHBondContact O-N 2.98Å; T583-T585 VanDerWaalsContact C-N 3.29Å; T583-T585 PolarHBondContact O-N 3.05Å; T585-A588 PolarHBondContact O-N 3.09Å; T585-V589 VanDerWaalsContact O-CG2 3.31Å; T585-V589 WeakPolarHBondContact O-CG2 3.4Å; T585-V589 PolarHBondContact O-N 3.41Å
586I96.1Very high94.9Very high97 Ų9747.8 Ų47.850%0.49725%0.253SS..Hα-helixtrans-61.6-47.2177.3-68.9165.4000110.5L582 T583 A588 V589 L590L582-I586 WeakPolarHBondContact O-CG1 3.28Å; L582-I586 PolarHBondContact O-N 2.89Å; T583-I586 PolarHBondContact O-N 2.98Å; T583-I586 VanDerWaalsContact O-N 3.15Å; I586-A588 VanDerWaalsContact C-N 3.35Å; I586-A588 PolarHBondContact O-N 3.11Å; I586-V589 PolarHBondContact O-N 3.05Å; I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.3Å; I586-L590 WeakPolarHBondContact O-CG 3.44Å; I586-L590 PolarHBondContact O-N 3.34Å
587G95.9Very high95Very high0 Ų052.2 Ų52.20%028%0.275CS..Hα-helixtrans-59.5-43.417800000112.7T496 M500 T583 N584 L590 M591T496-G587 WeakPolarHBondContact O-CA 3.37Å; M500-G587 WeakPolarHBondContact CG-O 3.43Å; T583-G587 PolarHBondContact O-N 3.24Å; N584-G587 PolarHBondContact O-N 2.92Å; G587-L590 PolarHBondContact O-N 3.49Å; G587-M591 PolarHBondContact O-N 2.8Å; G587-M591 VanDerWaalsContact O-N 3.09Å
588A97.1Very high94.9Very high2 Ų255.1 Ų55.12%0.01729%0.287CS..Hα-helixtrans-63.3-41.7175.500000112.6P499 T503 F532 A535 N584 T585 I586 M591 G592P499-A588 HydrophobicContact CB-CB 4.29Å; T503-A588 WeakPolarHBondContact OG1-CA 3.25Å; T503-A588 WeakPolarHBondContact OG1-CB 3.45Å; F532-A588 HydrophobicContact CD2-CB 3.75Å; F532-A588 HydrophobicContact CE2-CB 4.16Å; A535-A588 HydrophobicContact CB-CB 4.03Å; N584-A588 PolarHBondContact O-N 3.43Å; T585-A588 PolarHBondContact O-N 3.09Å; I586-A588 VanDerWaalsContact C-N 3.35Å; I586-A588 PolarHBondContact O-N 3.11Å; A588-M591 PolarHBondContact O-N 2.88Å; A588-G592 PolarHBondContact O-N 2.89Å
589V96.6Very high94.7Very high64 Ų6450.7 Ų50.739%0.38827%0.265SS..Hα-helixtrans-63.3-43.5175.51690000111.3F532 T585 I586 M591 G592 I593F532-V589 HydrophobicContact CD2-CG2 4.23Å; F532-V589 HydrophobicContact CE2-CG2 3.77Å; T585-V589 VanDerWaalsContact O-CG2 3.31Å; T585-V589 WeakPolarHBondContact O-CG2 3.4Å; T585-V589 PolarHBondContact O-N 3.41Å; I586-V589 PolarHBondContact O-N 3.05Å; V589-M591 PolarHBondContact O-N 3.4Å; V589-G592 CarbonylContact O-C 3.6Å; V589-G592 WeakPolarHBondContact O-CA 3.31Å; V589-G592 PolarHBondContact O-N 3.39Å; V589-G592 VanDerWaalsContact O-N 3.15Å; V589-I593 HydrophobicContact CG1-CD1 3.8Å; V589-I593 HydrophobicContact CG1-CG1 4.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.26Å; V589-I593 PolarHBondContact O-N 3.08Å
590L96.6Very high94.5Very high82 Ų8260.7 Ų60.743%0.42930%0.297SS..Hα-helixtrans-61.3-44.1178.8-73.7173.2000111.7M500 I586 G587 G592 I593 Y594M500-L590 HydrophobicContact CE-CB 3.55Å; M500-L590 HydrophobicContact CE-CD1 3.56Å; M500-L590 HydrophobicContact CE-CG 4.21Å; I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.3Å; I586-L590 WeakPolarHBondContact O-CG 3.44Å; I586-L590 PolarHBondContact O-N 3.34Å; G587-L590 PolarHBondContact O-N 3.49Å; L590-G592 VanDerWaalsContact C-N 3.33Å; L590-G592 PolarHBondContact O-N 3.07Å; L590-I593 PolarHBondContact O-N 2.93Å; L590-Y594 WeakPolarHBondContact O-CB 3.41Å; L590-Y594 PolarHBondContact O-N 3.16Å
591M96.1Very high94Very high22 Ų2263 Ų6311%0.10832%0.322CS..Hα-helixtrans-63.8-39.7173.6-174.563-161.100111.7M500 T503 A504 Y507 G587 A588 V589 Y594 A595 Y609M500-M591 HydrophobicContact CB-CB 4.03Å; M500-M591 HydrophobicContact CG-CB 4.1Å; M500-M591 WeakPolarHBondContact O-CG 3.49Å; T503-M591 HydrophobicContact CG2-CB 3.96Å; T503-M591 HydrophobicContact CG2-CG 3.8Å; A504-M591 HydrophobicContact CB-CE 4.04Å; Y507-M591 HydrophobicContact CE2-CE 4.23Å; Y507-M591 HydrophobicContact CE2-CG 4.5Å; G587-M591 PolarHBondContact O-N 2.8Å; G587-M591 VanDerWaalsContact O-N 3.09Å; A588-M591 PolarHBondContact O-N 2.88Å; V589-M591 PolarHBondContact O-N 3.4Å; M591-Y594 HydrophobicContact CE-CD1 3.82Å; M591-Y594 HydrophobicContact CE-CE1 4.25Å; M591-Y594 WeakPolarHBondContact O-CB 3.48Å; M591-Y594 PolarHBondContact O-N 2.86Å; M591-Y594 HydrophobicContact SD-CD1 3.94Å; M591-A595 WeakPolarHBondContact O-CB 3.43Å; M591-A595 PolarHBondContact O-N 2.83Å; M591-Y609 HydrophobicContact CE-CE1 4.26Å
592G95.2Very high93.5Very high15 Ų1565.1 Ų65.116%0.15533%0.334CS..Hα-helixtrans-60.6-43.9174.900000113.3Y507 L528 A588 V589 L590 A595 H596Y507-G592 WeakPolarHBondContact OH-CA 3.37Å; L528-G592 WeakPolarHBondContact CD2-O 3.39Å; A588-G592 PolarHBondContact O-N 2.89Å; V589-G592 CarbonylContact O-C 3.6Å; V589-G592 WeakPolarHBondContact O-CA 3.31Å; V589-G592 PolarHBondContact O-N 3.39Å; V589-G592 VanDerWaalsContact O-N 3.15Å; L590-G592 VanDerWaalsContact C-N 3.33Å; L590-G592 PolarHBondContact O-N 3.07Å; G592-A595 PolarHBondContact O-N 3.37Å; G592-H596 VanDerWaalsContact O-CB 3.26Å; G592-H596 WeakPolarHBondContact O-CB 3.34Å; G592-H596 PolarHBondContact O-N 3.4Å
593I95.3Very high93.1Very high91 Ų9160.4 Ų60.447%0.46731%0.309SS..Hα-helixtrans-62.8-46.3174.8-69167.8000110.2V589 L590 H596 I597V589-I593 HydrophobicContact CG1-CD1 3.8Å; V589-I593 HydrophobicContact CG1-CG1 4.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.26Å; V589-I593 PolarHBondContact O-N 3.08Å; L590-I593 PolarHBondContact O-N 2.93Å; I593-H596 PolarHBondContact O-N 2.97Å; I593-I597 HydrophobicContact CG2-CD1 3.82Å; I593-I597 VanDerWaalsContact O-CG1 3.32Å; I593-I597 WeakPolarHBondContact O-CG1 3.43Å; I593-I597 PolarHBondContact O-N 3.4Å
594Y94.9Very high92.7Very high117 Ų11761.4 Ų61.446%0.45932%0.32SS..Hα-helixtrans-57.7-51.2177.3173.7-99.5000111.6L590 M591 H596 I597 Q598L590-Y594 WeakPolarHBondContact O-CB 3.41Å; L590-Y594 PolarHBondContact O-N 3.16Å; M591-Y594 HydrophobicContact CE-CD1 3.82Å; M591-Y594 HydrophobicContact CE-CE1 4.25Å; M591-Y594 WeakPolarHBondContact O-CB 3.48Å; M591-Y594 PolarHBondContact O-N 2.86Å; M591-Y594 HydrophobicContact SD-CD1 3.94Å; Y594-H596 VanDerWaalsContact C-N 3.33Å; Y594-H596 PolarHBondContact O-N 3.35Å; Y594-I597 PolarHBondContact O-N 3.28Å; Y594-Q598 HydrophobicContact CD1-CG 4.36Å; Y594-Q598 HydrophobicContact CD2-CG 4.25Å; Y594-Q598 HydrophobicContact CE1-CG 3.94Å; Y594-Q598 HydrophobicContact CE2-CG 3.82Å; Y594-Q598 HydrophobicContact CG-CG 4.5Å; Y594-Q598 WeakPolarHBondContact O-CG 3.44Å; Y594-Q598 PolarHBondContact O-N 2.77Å; Y594-Q598 PolarHBondContact OH-NE2 3.21Å; Y594-Q598 VanDerWaalsContact OH-NE2 3.14Å
595A93.9Very high92.4Very high0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-63.6-37.6178.200000112.2Y507 L528 M591 G592 Q598 S599 F606Y507-A595 HydrophobicContact CE2-CB 3.7Å; L528-A595 HydrophobicContact CD2-CB 3.94Å; M591-A595 WeakPolarHBondContact O-CB 3.43Å; M591-A595 PolarHBondContact O-N 2.83Å; G592-A595 PolarHBondContact O-N 3.37Å; A595-Q598 PolarHBondContact O-N 2.86Å; A595-S599 VanDerWaalsContact O-CB 3.24Å; A595-S599 WeakPolarHBondContact O-CB 3.5Å; A595-S599 PolarHBondContact O-N 3.14Å; A595-S599 PolarHBondContact O-OG 3.24Å; A595-F606 HydrophobicContact CB-CE1 4.14Å; A595-F606 HydrophobicContact CB-CZ 4.3Å
596H93.7Very high92.2Very high110 Ų11059.6 Ų59.651%0.50931%0.307SS..Hα-helixtrans-61.5-46.2175.4-176.463.5000111.6L528 G592 I593 Y594 S599 R600L528-H596 HydrophobicContact CD1-CB 3.97Å; L528-H596 HydrophobicContact CD2-CB 4.4Å; G592-H596 VanDerWaalsContact O-CB 3.26Å; G592-H596 WeakPolarHBondContact O-CB 3.34Å; G592-H596 PolarHBondContact O-N 3.4Å; I593-H596 PolarHBondContact O-N 2.97Å; Y594-H596 VanDerWaalsContact C-N 3.33Å; Y594-H596 PolarHBondContact O-N 3.35Å; H596-S599 PolarHBondContact O-OG 3.4Å; H596-R600 PolarHBondContact O-N 2.72Å
597I93.6Very high91.7Very high112 Ų11258.6 Ų58.657%0.57430%0.3SS*.Hα-helixtrans-63.7-46.7177.2-67167000110.8I593 Y594 R600I593-I597 HydrophobicContact CG2-CD1 3.82Å; I593-I597 VanDerWaalsContact O-CG1 3.32Å; I593-I597 WeakPolarHBondContact O-CG1 3.43Å; I593-I597 PolarHBondContact O-N 3.4Å; Y594-I597 PolarHBondContact O-N 3.28Å; I597-R600 PolarHBondContact O-N 3.38Å
598Q91.5Very high91.2Very high87 Ų8765.9 Ų65.941%0.40733%0.334SS..Hα-helixtrans-67.6-37.7-177.6-69.7-68.220.200112.9Y594 A595 R600Y594-Q598 HydrophobicContact CD1-CG 4.36Å; Y594-Q598 HydrophobicContact CD2-CG 4.25Å; Y594-Q598 HydrophobicContact CE1-CG 3.94Å; Y594-Q598 HydrophobicContact CE2-CG 3.82Å; Y594-Q598 HydrophobicContact CG-CG 4.5Å; Y594-Q598 WeakPolarHBondContact O-CG 3.44Å; Y594-Q598 PolarHBondContact O-N 2.77Å; Y594-Q598 PolarHBondContact OH-NE2 3.21Å; Y594-Q598 VanDerWaalsContact OH-NE2 3.14Å; A595-Q598 PolarHBondContact O-N 2.86Å; Q598-R600 PolarHBondContact O-N 2.82Å
599S90.2Very high90.8Very high4 Ų468.6 Ų68.63%0.02834%0.344CS..Hα-helixtrans-62.7-26.8177.371.50000112.9A595 H596 G601 D602A595-S599 VanDerWaalsContact O-CB 3.24Å; A595-S599 WeakPolarHBondContact O-CB 3.5Å; A595-S599 PolarHBondContact O-N 3.14Å; A595-S599 PolarHBondContact O-OG 3.24Å; H596-S599 PolarHBondContact O-OG 3.4Å; S599-G601 PolarHBondContact O-N 2.95Å; S599-G601 PolarHBondContact OG-N 2.97Å; S599-D602 WeakPolarHBondContact O-CA 3.23Å; S599-D602 WeakPolarHBondContact O-CB 3.44Å; S599-D602 PolarHBondContact O-N 3.43Å
600R87.6Confident90.3Very high228 Ų22868.8 Ų68.886%0.8634%0.338SS*.THydrogen-bonded Turntrans49.727.9-171.5-59.8-177177.5-176.60113.4H596 I597 Q598 D602H596-R600 PolarHBondContact O-N 2.72Å; I597-R600 PolarHBondContact O-N 3.38Å; Q598-R600 PolarHBondContact O-N 2.82Å; R600-D602 VanDerWaalsContact C-N 3.33Å
601G82.7Confident89.7Confident51 Ų5168.2 Ų68.253%0.52634%0.335SS..THydrogen-bonded Turntrans82.32.7-175.600000115.2P524 S599P524-G601 WeakPolarHBondContact CG-O 3.24Å; S599-G601 PolarHBondContact O-N 2.95Å; S599-G601 PolarHBondContact OG-N 2.97Å
602D86.3Confident89Confident89 Ų8975.8 Ų75.848%0.47637%0.368SS..  trans-92.3119.6175-171.4-3.9000111S599 R600 A604 H605S599-D602 WeakPolarHBondContact O-CA 3.23Å; S599-D602 WeakPolarHBondContact O-CB 3.44Å; S599-D602 PolarHBondContact O-N 3.43Å; R600-D602 VanDerWaalsContact C-N 3.33Å; D602-A604 PolarHBondContact O-N 3.23Å; D602-A604 VanDerWaalsContact OD1-CB 3.26Å; D602-A604 WeakPolarHBondContact OD1-CB 3.19Å; D602-A604 PolarHBondContact OD1-N 2.86Å; D602-H605 PolarHBondContact O-N 3.16Å
603A86.5Confident88Confident4 Ų483.2 Ų83.23%0.03340%0.396CS..G310 helixtrans-67.3-21.1177.900000112.7I519 T522 P524 H605 F606I519-A603 HydrophobicContact CG2-CB 4.32Å; I519-A603 WeakPolarHBondContact CG2-O 3.23Å; I519-A603 VanDerWaalsContact O-CB 3.23Å; I519-A603 WeakPolarHBondContact O-CB 3.39Å; T522-A603 WeakPolarHBondContact O-CB 3.39Å; P524-A603 HydrophobicContact CG-CB 4.09Å; A603-H605 PolarHBondContact O-N 2.88Å; A603-H605 VanDerWaalsContact O-N 3.16Å; A603-F606 PolarHBondContact O-N 3.07Å
604A85.7Confident87.2Confident44 Ų4485.9 Ų85.936%0.36441%0.409SS..G310 helixtrans-59.5-26177.700000113D602 F606 E607D602-A604 PolarHBondContact O-N 3.23Å; D602-A604 VanDerWaalsContact OD1-CB 3.26Å; D602-A604 WeakPolarHBondContact OD1-CB 3.19Å; D602-A604 PolarHBondContact OD1-N 2.86Å; A604-F606 PolarHBondContact O-N 2.98Å; A604-E607 VanDerWaalsContact O-CB 3.29Å; A604-E607 WeakPolarHBondContact O-CB 3.22Å; A604-E607 PolarHBondContact O-N 3.23Å
605H89.1Confident85.8Confident33 Ų3391.7 Ų91.715%0.15343%0.431CS..G310 helixtrans-56.2-33.6174.2-179.561.1000112.7D602 A603 E607 E608 Y609D602-H605 PolarHBondContact O-N 3.16Å; A603-H605 PolarHBondContact O-N 2.88Å; A603-H605 VanDerWaalsContact O-N 3.16Å; H605-E607 VanDerWaalsContact C-N 3.27Å; H605-E607 PolarHBondContact O-N 3.29Å; H605-E608 IonicContact CE1-OE2 3.36Å; H605-E608 IonicContact ND1-OE2 3.75Å; H605-E608 PolarHBondContact O-N 2.83Å; H605-Y609 AromaticContact NE2-CE2 3.84Å
606F90.9Very high83.5Confident0 Ų0104.7 Ų104.70%049%0.487CS..G310 helixtrans-76.1-13.2-179-65.8-78.9000113.6Y507 P524 F527 L528 A595 A603 A604 E608 Y609Y507-F606 HydrophobicContact CD1-CD1 4.2Å; Y507-F606 HydrophobicContact CD1-CE1 4.02Å; Y507-F606 AromaticContact CD2-CD1 3.9Å; Y507-F606 HydrophobicContact CD2-CD1 3.9Å; Y507-F606 AromaticContact CD2-CE1 3.77Å; Y507-F606 HydrophobicContact CD2-CE1 3.77Å; Y507-F606 HydrophobicContact CE1-CE1 4.11Å; Y507-F606 HydrophobicContact CE2-CD1 4.45Å; Y507-F606 AromaticContact CE2-CE1 3.86Å; Y507-F606 HydrophobicContact CE2-CE1 3.86Å; Y507-F606 AromaticContact CG-CD1 3.76Å; Y507-F606 HydrophobicContact CG-CD1 3.76Å; Y507-F606 AromaticContact CG-CE1 3.86Å; Y507-F606 HydrophobicContact CG-CE1 3.86Å; P524-F606 HydrophobicContact CB-CE2 4.07Å; F527-F606 HydrophobicContact CB-CB 4.36Å; F527-F606 HydrophobicContact CB-CD1 3.54Å; F527-F606 HydrophobicContact CB-CD2 3.83Å; F527-F606 HydrophobicContact CB-CE1 3.64Å; F527-F606 HydrophobicContact CB-CE2 3.94Å; F527-F606 HydrophobicContact CB-CG 3.63Å; F527-F606 HydrophobicContact CB-CZ 3.84Å; F527-F606 HydrophobicContact CD1-CB 3.46Å; F527-F606 VanDerWaalsContact CD1-CB 3.46Å; F527-F606 HydrophobicContact CD1-CD1 4.02Å; F527-F606 HydrophobicContact CD1-CD2 4.39Å; F527-F606 AromaticContact CD1-CG 3.7Å; F527-F606 HydrophobicContact CD1-CG 3.7Å; F527-F606 HydrophobicContact CD2-CB 4.13Å; F527-F606 AromaticContact CD2-CD2 3.83Å; F527-F606 HydrophobicContact CD2-CD2 3.83Å; F527-F606 HydrophobicContact CD2-CE2 4.46Å; F527-F606 AromaticContact CD2-CG 3.98Å; F527-F606 HydrophobicContact CD2-CG 3.98Å; F527-F606 HydrophobicContact CE1-CB 3.64Å; F527-F606 HydrophobicContact CE1-CG 4.35Å; F527-F606 HydrophobicContact CE2-CB 4.29Å; F527-F606 HydrophobicContact CG-CB 3.73Å; F527-F606 AromaticContact CG-CD1 3.88Å; F527-F606 HydrophobicContact CG-CD1 3.88Å; F527-F606 AromaticContact CG-CD2 3.76Å; F527-F606 HydrophobicContact CG-CD2 3.76Å; F527-F606 HydrophobicContact CG-CE1 4.43Å; F527-F606 HydrophobicContact CG-CE2 4.35Å; F527-F606 AromaticContact CG-CG 3.49Å; F527-F606 HydrophobicContact CG-CG 3.49Å; F527-F606 VanDerWaalsContact CG-CG 3.49Å; F527-F606 HydrophobicContact CZ-CB 4.07Å; L528-F606 HydrophobicContact CD2-CE1 4.33Å; L528-F606 HydrophobicContact CD2-CZ 3.81Å; L528-F606 HydrophobicContact CG-CZ 4.07Å; A595-F606 HydrophobicContact CB-CE1 4.14Å; A595-F606 HydrophobicContact CB-CZ 4.3Å; A603-F606 PolarHBondContact O-N 3.07Å; A604-F606 PolarHBondContact O-N 2.98Å; F606-E608 PolarHBondContact O-N 2.81Å; F606-Y609 HydrophobicContact CD1-CD2 4.49Å; F606-Y609 PolarHBondContact O-N 3.15Å
607E85.3Confident83Confident75 Ų75104.5 Ų104.535%0.3549%0.486SS..G310 helixtrans-65.2-27.2174.6-169.562.6-170.400111.7I519 A604 H605 Y609 R610I519-E607 WeakPolarHBondContact CD1-OE2 3.39Å; A604-E607 VanDerWaalsContact O-CB 3.29Å; A604-E607 WeakPolarHBondContact O-CB 3.22Å; A604-E607 PolarHBondContact O-N 3.23Å; H605-E607 VanDerWaalsContact C-N 3.27Å; H605-E607 PolarHBondContact O-N 3.29Å; E607-Y609 PolarHBondContact O-N 3.45Å; E607-R610 WeakPolarHBondContact O-CB 3.47Å; E607-R610 PolarHBondContact O-N 3.21Å; E607-R610 VanDerWaalsContact O-N 3.14Å; E607-R610 WeakPolarHBondContact OE1-CD 3.33Å; E607-R610 IonicContact OE1-CZ 3.6Å; E607-R610 IonicContact OE1-NE 2.74Å; E607-R610 IonicContact OE1-NH1 3.54Å; E607-R610 PolarHBondContact OE1-NH1 2.87Å; E607-R610 IonicContact OE2-NH1 3.24Å
608E86.9Confident82.5Confident154 Ų154104.1 Ų104.172%0.7248%0.481SS*.G310 helixtrans-64-27177.2-63.2-178.7174.400112.6H605 F606 R610H605-E608 IonicContact CE1-OE2 3.36Å; H605-E608 IonicContact ND1-OE2 3.75Å; H605-E608 PolarHBondContact O-N 2.83Å; F606-E608 PolarHBondContact O-N 2.81Å; E608-R610 VanDerWaalsContact C-N 3.32Å
609Y88.5Confident82Confident58 Ų58105 Ų10523%0.22749%0.485CS..G310 helixtrans-83.7-9.3178.9-65.8-93.3000113A504 Y507 G508 M591 H605 F606 E607 L611A504-Y609 HydrophobicContact CB-CD1 4.06Å; A504-Y609 HydrophobicContact CB-CE1 3.84Å; Y507-Y609 HydrophobicContact CD2-CD1 4.28Å; Y507-Y609 HydrophobicContact CD2-CD2 4.47Å; Y507-Y609 HydrophobicContact CD2-CE1 4.28Å; Y507-Y609 HydrophobicContact CD2-CE2 4.46Å; Y507-Y609 HydrophobicContact CD2-CG 4.37Å; G508-Y609 WeakPolarHBondContact CA-O 3.21Å; M591-Y609 HydrophobicContact CE-CE1 4.26Å; H605-Y609 AromaticContact NE2-CE2 3.84Å; F606-Y609 HydrophobicContact CD1-CD2 4.49Å; F606-Y609 PolarHBondContact O-N 3.15Å; E607-Y609 PolarHBondContact O-N 3.45Å; Y609-L611 PolarHBondContact O-N 3.15Å
610R85Confident81.5Confident68 Ų68110.9 Ų110.926%0.25751%0.512SS..  trans-62.6122-166.7-172.2172.9-173.2-175.40.7112.9G511 K515 E607 E608G511-R610 PolarHBondContact O-NE 3.01Å; G511-R610 VanDerWaalsContact O-NE 3.09Å; K515-R610 PolarHBondContact O-NH2 2.85Å; E607-R610 WeakPolarHBondContact O-CB 3.47Å; E607-R610 PolarHBondContact O-N 3.21Å; E607-R610 VanDerWaalsContact O-N 3.14Å; E607-R610 WeakPolarHBondContact OE1-CD 3.33Å; E607-R610 IonicContact OE1-CZ 3.6Å; E607-R610 IonicContact OE1-NE 2.74Å; E607-R610 IonicContact OE1-NH1 3.54Å; E607-R610 PolarHBondContact OE1-NH1 2.87Å; E607-R610 IonicContact OE2-NH1 3.24Å; E608-R610 VanDerWaalsContact C-N 3.32Å
611L85.4Confident81.1Confident71 Ų71103.6 Ų103.637%0.37249%0.491SS..  trans-71.6131176.1-60.6172.2000110.5L505 L509 Y512 Y609L505-L611 HydrophobicContact CD1-CD1 3.97Å; L505-L611 HydrophobicContact CD1-CD2 4.26Å; L509-L611 HydrophobicContact CD2-CD1 3.76Å; L509-L611 HydrophobicContact CG-CD1 3.92Å; Y512-L611 WeakPolarHBondContact CD2-O 3.45Å; Y609-L611 PolarHBondContact O-N 3.15Å
612K80.2Confident81Confident181 Ų181107.1 Ų107.179%0.78749%0.488SS*.  trans-112131.6177.1-67179.2-176.7173.80110.2I614K612-I614 PolarHBondContact O-N 3.21Å
613K75.7Confident80.6Confident170 Ų170108.4 Ų108.474%0.73949%0.489SS*.  trans-74.6109.2172.2-172.9174.5-176.51740109.2R615K613-R615 PolarHBondContact O-N 2.97Å
614I77.1Confident80.2Confident147 Ų147116.5 Ų116.575%0.75452%0.524SS*.  trans-76.3115.9170.1-54.9175.2000107K612 K616K612-I614 PolarHBondContact O-N 3.21Å; I614-K616 PolarHBondContact O-N 3.4Å
615R65.8Low79.7Confident240 Ų240122.5 Ų122.591%0.90654%0.538SS*.  trans-71.8110.5163.9-84.2-176.2171.9177.8-2.6106.8K613K613-R615 PolarHBondContact O-N 2.97Å
616K46.8Very low78.8Confident273 Ų273130.6 Ų130.6100%1.18757%0.573SS**  trans-78.20158.4-89.4-169.7173.2-178.70109.5I614I614-K616 PolarHBondContact O-N 3.4Å

Retrieved 616 of 616 residues in 119 ms (Link to these results)

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