A0A087Y6P3_POEFO Loading...

Actin related protein 3

AlphaFold DB (A0A3B3VSK3), UniProt , Accession A0A087Y6P3, Species POEFO (Poecilia formosa, Amazon molly), Gene ACTR3, Length 418 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
1M35.9Very low81.2Confident243 Ų24363.5 Ų63.5100%1.19738%0.375SS*.  0108.20-73.8-172-109.800106.5G3M1-G3 PolarHBondContact O-N 2.96Å
2A40.7Very low82.5Confident106 Ų10659.8 Ų59.888%0.87636%0.355SS*.PPolyproline II helixtrans-63122.7171.200000107
3G59.9Low83.4Confident67 Ų6756.2 Ų56.269%0.69134%0.337SS*.PPolyproline II helixtrans-62.7147.417900000110.3M1 L5M1-G3 PolarHBondContact O-N 2.96Å; G3-L5 PolarHBondContact O-N 3.44Å
4R74.3Confident84Confident130 Ų13053.4 Ų53.449%0.49132%0.32SS..PPolyproline II helixtrans-57.6133.9169.4-171.2178.7-174.9131.2-21109.2Y109 Y391R4-Y109 VanDerWaalsContact NH2-CD1 3.33Å; R4-Y109 VanDerWaalsContact NH2-CG 3.28Å; R4-Y109 PolarHBondContact NH2-OH 2.81Å; R4-Y391 VanDerWaalsContact NE-CD1 3.28Å
5L93.2Very high84.6Confident89 Ų8950.1 Ų50.147%0.46630%0.302SS..PPolyproline II helixtrans-61.3150.4174.4-66177.8000110.2G3 D107G3-L5 PolarHBondContact O-N 3.44Å; L5-D107 HydrophobicContact CD1-CB 4.25Å
6P96.9Very high85.3Confident56 Ų5651.6 Ų51.636%0.36430%0.302SS..PPolyproline II helixtrans-63.7142-178.927-34.8000111.1Y21 H108P6-Y21 HydrophobicContact CG-CD1 4.06Å; P6-Y21 HydrophobicContact CG-CG 4.36Å; P6-H108 PolarHBondContact O-CE1 2.96Å; P6-H108 PolarHBondContact O-ND1 3.17Å
7A98.1Very high86Confident0 Ų048.6 Ų48.60%028%0.284CS..PPolyproline II helixtrans-62.2150.9174.600000112.1Y21 A22 Y109 A385 F390 Y391A7-Y21 CarbonylContact O-C 3.47Å; A7-Y21 WeakPolarHBondContact O-CA 3.43Å; A7-A22 HydrophobicContact CB-CB 4.16Å; A7-A22 WeakPolarHBondContact O-CB 3.3Å; A7-A22 PolarHBondContact O-N 3.29Å; A7-Y109 CarbonylContact C-O 3.51Å; A7-Y109 VanDerWaalsContact CA-O 3.24Å; A7-Y109 WeakPolarHBondContact CA-O 2.84Å; A7-Y109 WeakPolarHBondContact CB-O 3.39Å; A7-A385 HydrophobicContact CB-CB 4.18Å; A7-F390 HydrophobicContact CB-CD1 4.46Å; A7-F390 HydrophobicContact CB-CE1 3.62Å; A7-F390 HydrophobicContact CB-CZ 4.18Å; A7-Y391 HydrophobicContact CB-CE1 4.49Å
8C98.7Very high86.7Confident0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans-84.2136.3171.9-67.50000109.8Y21 L101 Y109 F110 L111C8-Y21 VanDerWaalsContact SG-CE1 3.59Å; C8-L101 HydrophobicContact CB-CD1 4.17Å; C8-Y109 PolarHBondContact N-O 3.44Å; C8-F110 HydrophobicContact CB-CD1 3.47Å; C8-F110 VanDerWaalsContact CB-CD1 3.47Å; C8-F110 HydrophobicContact CB-CD2 4.32Å; C8-F110 HydrophobicContact CB-CE1 3.36Å; C8-F110 HydrophobicContact CB-CE2 4.23Å; C8-F110 HydrophobicContact CB-CG 3.98Å; C8-F110 HydrophobicContact CB-CZ 3.77Å; C8-F110 CarbonylContact O-C 3.39Å; C8-F110 WeakPolarHBondContact O-CA 3.27Å; C8-L111 PolarHBondContact O-N 2.99Å
9V98.8Very high87.3Confident0 Ų045.3 Ų45.30%026%0.262CS..EExtended strand (participates in β ladder)trans-124.1118.6-179.7-177.60000109L19 G20 A22 L111 W378 A385V9-L19 WeakPolarHBondContact O-CA 3.28Å; V9-G20 PolarHBondContact N-O 2.86Å; V9-G20 PolarHBondContact O-N 3.08Å; V9-A22 HydrophobicContact CG2-CB 4.03Å; V9-L111 WeakPolarHBondContact CA-O 3.05Å; V9-L111 HydrophobicContact CG1-CD2 4.14Å; V9-L111 HydrophobicContact CG2-CB 4.35Å; V9-W378 HydrophobicContact CB-CZ2 4.45Å; V9-W378 HydrophobicContact CG1-CG 4.31Å; V9-W378 PolarHBondContact O-NE1 3.02Å; V9-A385 HydrophobicContact CG2-CB 4.09Å
10V98.7Very high87.9Confident0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-129.6115.1-177.5-170.70000110T17 L19 M93 V96 L101 L111 L112 T113V10-T17 HydrophobicContact CG1-CG2 3.81Å; V10-L19 HydrophobicContact CG1-CB 4.2Å; V10-L19 HydrophobicContact CG2-CB 4.24Å; V10-M93 HydrophobicContact CG1-SD 4.44Å; V10-V96 HydrophobicContact CG1-CG1 4.35Å; V10-V96 HydrophobicContact CG2-CG1 4.12Å; V10-L101 HydrophobicContact CG2-CD1 4.43Å; V10-L111 PolarHBondContact N-O 2.76Å; V10-L112 HydrophobicContact CB-CD2 3.71Å; V10-L112 HydrophobicContact CG2-CD2 4.19Å; V10-T113 PolarHBondContact O-N 2.85Å
11D98.1Very high88.4Confident7 Ų743 Ų434%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-102.799.6174.2173.545.3000110.3G13 T17 K18 T113 V377 W378D11-G13 PolarHBondContact O-N 2.65Å; D11-T17 CarbonylContact O-C 3.6Å; D11-T17 VanDerWaalsContact O-CA 3.26Å; D11-T17 WeakPolarHBondContact O-CA 3.37Å; D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.17Å; D11-K18 PolarHBondContact N-O 2.93Å; D11-K18 PolarHBondContact O-N 3.03Å; D11-K18 WeakPolarHBondContact OD2-CD 3.43Å; D11-K18 IonicContact OD2-NZ 3.55Å; D11-K18 PolarHBondContact OD2-NZ 3.27Å; D11-T113 WeakPolarHBondContact CA-OG1 3.19Å; D11-T113 HydrophobicContact CB-CG2 3.93Å; D11-T113 PolarHBondContact OD1-OG1 3.38Å; D11-V377 HydrophobicContact CB-CG1 4.44Å; D11-W378 HydrophobicContact CB-CB 4.14Å
12C96.9Very high91.3Very high20 Ų2031.9 Ų31.914%0.13519%0.192CC..EExtended strand (participates in β ladder)trans-88.497-177.7-68.80000111.2I78 M89C12-I78 HydrophobicContact CB-CD1 3.73Å; C12-M89 HydrophobicContact CB-CE 4.44Å
13G93.9Very high93.9Very high12 Ų1229.4 Ų29.412%0.12418%0.176CC..  trans-95.9166.1176.600000113.5D11 G15 Y16 S33D11-G13 PolarHBondContact O-N 2.65Å; G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 2.91Å; G13-Y16 WeakPolarHBondContact CA-O 3.5Å; G13-Y16 PolarHBondContact N-O 3.15Å; G13-Y16 VanDerWaalsContact N-O 3.15Å; G13-S33 WeakPolarHBondContact O-CB 3.41Å; G13-S33 PolarHBondContact O-OG 3.28Å
14T92.6Very high95.7Very high17 Ų1729.5 Ų29.510%0.10416%0.161CC..SBendtrans-56.3-42.6176.8-58.20000113.1G81T14-G81 PolarHBondContact OG1-N 3.11Å
15G92.1Very high96.7Very high5 Ų527.3 Ų27.35%0.05216%0.162CC..SBendtrans-98.7-38.9-177.700000113.6G13 P32 S33G13-G15 VanDerWaalsContact C-N 3.32Å; G13-G15 PolarHBondContact O-N 2.91Å; G15-P32 WeakPolarHBondContact O-CA 3.19Å; G15-S33 PolarHBondContact O-N 3.28Å
16Y95.6Very high96.9Very high74 Ų7428.8 Ų28.829%0.2917%0.167SC..EExtended strand (participates in β ladder)trans-141.2138.1-173.8-61.7-92.3000111.7G13 K18 I30 I31 P32 S33 K225G13-Y16 WeakPolarHBondContact CA-O 3.5Å; G13-Y16 PolarHBondContact N-O 3.15Å; G13-Y16 VanDerWaalsContact N-O 3.15Å; Y16-K18 PolarHBondContact O-NZ 3.46Å; Y16-I30 HydrophobicContact CD1-CG2 4.14Å; Y16-I30 HydrophobicContact CG-CG2 4.41Å; Y16-I31 CarbonylContact C-O 3.43Å; Y16-I31 VanDerWaalsContact CA-O 3.24Å; Y16-I31 WeakPolarHBondContact CA-O 3.49Å; Y16-P32 HydrophobicContact CE1-CG 4.26Å; Y16-S33 WeakPolarHBondContact CA-OG 3.48Å; Y16-S33 PolarHBondContact N-OG 2.94Å; Y16-K225 PolarHBondContact OH-NZ 2.96Å
17T98.1Very high96.9Very high0 Ų026.8 Ų26.80%015%0.154CC..EExtended strand (participates in β ladder)trans-98.4131169.3-63.90000108.9V10 D11 L19 I30 I31 S33 F92V10-T17 HydrophobicContact CG1-CG2 3.81Å; D11-T17 CarbonylContact O-C 3.6Å; D11-T17 VanDerWaalsContact O-CA 3.26Å; D11-T17 WeakPolarHBondContact O-CA 3.37Å; T17-L19 HydrophobicContact CG2-CD2 4.17Å; T17-I30 WeakPolarHBondContact O-CA 3.33Å; T17-I31 PolarHBondContact N-O 2.98Å; T17-I31 PolarHBondContact O-N 3.3Å; T17-S33 PolarHBondContact N-OG 3.13Å; T17-S33 PolarHBondContact OG1-OG 3.45Å; T17-F92 HydrophobicContact CG2-CE1 4.05Å; T17-F92 HydrophobicContact CG2-CZ 4.37Å
18K98.4Very high96.9Very high35 Ų3530.3 Ų30.315%0.15217%0.17CC..EExtended strand (participates in β ladder)trans-111.4126.2173.1-5093.7-167.2166.10107.7D11 Y16 P27 F29 I30 W378D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.17Å; D11-K18 PolarHBondContact N-O 2.93Å; D11-K18 PolarHBondContact O-N 3.03Å; D11-K18 WeakPolarHBondContact OD2-CD 3.43Å; D11-K18 IonicContact OD2-NZ 3.55Å; D11-K18 PolarHBondContact OD2-NZ 3.27Å; Y16-K18 PolarHBondContact O-NZ 3.46Å; K18-P27 HydrophobicContact CB-CB 3.86Å; K18-P27 HydrophobicContact CB-CG 4Å; K18-P27 HydrophobicContact CG-CG 4.4Å; K18-F29 WeakPolarHBondContact CA-O 3.46Å; K18-I30 HydrophobicContact CB-CG1 4.35Å; K18-I30 HydrophobicContact CG-CB 4.45Å; K18-I30 HydrophobicContact CG-CD1 4.42Å; K18-I30 HydrophobicContact CG-CG1 3.9Å; K18-I30 HydrophobicContact CG-CG2 4.13Å; K18-W378 HydrophobicContact CB-CB 4.22Å; K18-W378 HydrophobicContact CB-CG 4.08Å; K18-W378 VanDerWaalsContact O-CD1 3.27Å
19L98.4Very high96.9Very high0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-138.7145-171.562.599.2000110.5V9 V10 T17 Q28 F29 I31 V96 L101V9-L19 WeakPolarHBondContact O-CA 3.28Å; V10-L19 HydrophobicContact CG1-CB 4.2Å; V10-L19 HydrophobicContact CG2-CB 4.24Å; T17-L19 HydrophobicContact CG2-CD2 4.17Å; L19-Q28 PolarHBondContact O-N 2.91Å; L19-F29 HydrophobicContact CD1-CB 3.9Å; L19-F29 HydrophobicContact CD1-CD2 3.54Å; L19-F29 HydrophobicContact CD1-CE2 4.48Å; L19-F29 HydrophobicContact CD1-CG 4.11Å; L19-F29 HydrophobicContact CD2-CB 4.43Å; L19-F29 HydrophobicContact CG-CB 3.95Å; L19-F29 HydrophobicContact CG-CD2 4.48Å; L19-F29 PolarHBondContact N-O 3.38Å; L19-F29 PolarHBondContact O-N 2.77Å; L19-F29 VanDerWaalsContact O-N 3.11Å; L19-I31 HydrophobicContact CD2-CD1 3.78Å; L19-I31 HydrophobicContact CD2-CG1 4.05Å; L19-V96 HydrophobicContact CB-CG1 4.24Å; L19-V96 HydrophobicContact CD1-CG1 4.44Å; L19-V96 HydrophobicContact CD2-CB 4.49Å; L19-V96 HydrophobicContact CD2-CG1 4.03Å; L19-V96 HydrophobicContact CD2-CG2 3.97Å; L19-V96 HydrophobicContact CG-CG1 4.47Å; L19-L101 HydrophobicContact CD1-CD2 3.59Å; L19-L101 HydrophobicContact CD1-CG 3.82Å
20G98.6Very high96.8Very high0 Ų037.3 Ų37.30%020%0.203CC..EExtended strand (participates in β ladder)trans175.5-171.7-173.700000114.8V9V9-G20 PolarHBondContact N-O 2.86Å; V9-G20 PolarHBondContact O-N 3.08Å
21Y98.4Very high96.8Very high43 Ų4337.6 Ų37.617%0.16921%0.205CC..EExtended strand (participates in β ladder)trans-103.7143176.8-66.8-81.3000111.5P6 A7 C8 N24 L101 A103 H108P6-Y21 HydrophobicContact CG-CD1 4.06Å; P6-Y21 HydrophobicContact CG-CG 4.36Å; A7-Y21 CarbonylContact O-C 3.47Å; A7-Y21 WeakPolarHBondContact O-CA 3.43Å; C8-Y21 VanDerWaalsContact SG-CE1 3.59Å; Y21-N24 PolarHBondContact O-N 3.13Å; Y21-N24 PolarHBondContact O-ND2 3.29Å; Y21-L101 HydrophobicContact CE2-CD2 4.21Å; Y21-L101 PolarHBondContact OH-O 3Å; Y21-A103 HydrophobicContact CE1-CB 4.41Å; Y21-A103 WeakPolarHBondContact OH-CB 3.45Å; Y21-H108 AromaticContact CE1-CE1 3.57Å; Y21-H108 AromaticContact CE1-ND1 3.77Å
22A97.9Very high96.7Very high9 Ų937.4 Ų37.47%0.07420%0.204CC..THydrogen-bonded Turntrans-55.7146.7173.100000111.6A7 V9 N24 A385A7-A22 HydrophobicContact CB-CB 4.16Å; A7-A22 WeakPolarHBondContact O-CB 3.3Å; A7-A22 PolarHBondContact O-N 3.29Å; V9-A22 HydrophobicContact CG2-CB 4.03Å; A22-N24 VanDerWaalsContact C-N 3.31Å; A22-A385 HydrophobicContact CB-CB 3.69Å
23G95.3Very high96.7Very high54 Ų5436.5 Ų36.556%0.55720%0.198SC*.THydrogen-bonded Turntrans92-13.6-178.800000113.5S382 S386G23-S382 PolarHBondContact N-O 2.92Å; G23-S382 PolarHBondContact N-OG 3.33Å; G23-S386 WeakPolarHBondContact CA-OG 3.28Å; G23-S386 PolarHBondContact N-OG 2.85Å
24N96.7Very high96.8Very high68 Ų6836 Ų3636%0.36419%0.192SC..  trans-83.8144.8173-61.8-70.2000111.1Y21 A22 Q28 W378 S382Y21-N24 PolarHBondContact O-N 3.13Å; Y21-N24 PolarHBondContact O-ND2 3.29Å; A22-N24 VanDerWaalsContact C-N 3.31Å; N24-Q28 PolarHBondContact ND2-NE2 3.2Å; N24-W378 HydrophobicContact CB-CH2 4.06Å; N24-W378 WeakPolarHBondContact O-CZ3 3.28Å; N24-S382 PolarHBondContact N-OG 3.08Å; N24-S382 PolarHBondContact O-OG 2.98Å
25T95.5Very high97Very high85 Ų8535.1 Ų35.152%0.52119%0.187SC..SBendtrans-72.2-38.3179.1-57.20000111.8M372 Y375 F379T25-M372 HydrophobicContact CG2-CE 3.34Å; T25-M372 HydrophobicContact CG2-SD 4.27Å; T25-M372 WeakPolarHBondContact O-CE 3.33Å; T25-Y375 VanDerWaalsContact O-CE2 3.27Å; T25-Y375 WeakPolarHBondContact O-CE2 3.46Å; T25-F379 HydrophobicContact CG2-CE2 4.36Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.44Å
26E96.4Very high97.2Very high119 Ų11934.9 Ų34.956%0.55619%0.185SC*.SBendtrans-122.1150.8-179.2-44.2-153.2132.300110.2Y375 W378E26-Y375 HydrophobicContact CB-CE2 4.43Å; E26-Y375 HydrophobicContact CG-CE2 4.43Å; E26-Y375 VanDerWaalsContact CG-OH 3.26Å; E26-Y375 WeakPolarHBondContact CG-OH 3.37Å; E26-Y375 PolarHBondContact OE1-OH 3.27Å; E26-W378 VanDerWaalsContact C-CH2 3.44Å; E26-W378 VanDerWaalsContact O-CH2 3.26Å; E26-W378 WeakPolarHBondContact O-CH2 3.36Å; E26-W378 WeakPolarHBondContact O-CZ3 3.41Å
27P97.7Very high97Very high15 Ų1533.2 Ų33.210%0.09718%0.18CC..  trans-62.4139.8173.627-35000110.5K18 F29 I30 W378K18-P27 HydrophobicContact CB-CB 3.86Å; K18-P27 HydrophobicContact CB-CG 4Å; K18-P27 HydrophobicContact CG-CG 4.4Å; P27-F29 PolarHBondContact O-N 3.1Å; P27-I30 HydrophobicContact CB-CG1 4.33Å; P27-I30 HydrophobicContact CG-CD1 3.8Å; P27-I30 HydrophobicContact CG-CG1 3.59Å; P27-W378 HydrophobicContact CB-CD2 3.73Å; P27-W378 HydrophobicContact CB-CE3 4.1Å; P27-W378 HydrophobicContact CB-CG 4.15Å; P27-W378 HydrophobicContact CB-CH2 4.46Å; P27-W378 HydrophobicContact CB-CZ2 4.12Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.31Å; P27-W378 HydrophobicContact CG-CE3 4.35Å; P27-W378 VanDerWaalsContact N-CZ3 3.28Å
28Q98.1Very high96.4Very high74 Ų7438.8 Ų38.835%0.34620%0.204SC..SBendtrans-61.8-36.3175.1-79.478.7-5.600111.7L19 N24L19-Q28 PolarHBondContact O-N 2.91Å; N24-Q28 PolarHBondContact ND2-NE2 3.2Å
29F98.3Very high95Very high82 Ų8243.2 Ų43.236%0.3623%0.226SC..EExtended strand (participates in β ladder)trans-136.8141.5178.4-52.8-88.7000111.1K18 L19 P27 I31 Y100K18-F29 WeakPolarHBondContact CA-O 3.46Å; L19-F29 HydrophobicContact CD1-CB 3.9Å; L19-F29 HydrophobicContact CD1-CD2 3.54Å; L19-F29 HydrophobicContact CD1-CE2 4.48Å; L19-F29 HydrophobicContact CD1-CG 4.11Å; L19-F29 HydrophobicContact CD2-CB 4.43Å; L19-F29 HydrophobicContact CG-CB 3.95Å; L19-F29 HydrophobicContact CG-CD2 4.48Å; L19-F29 PolarHBondContact N-O 3.38Å; L19-F29 PolarHBondContact O-N 2.77Å; L19-F29 VanDerWaalsContact O-N 3.11Å; P27-F29 PolarHBondContact O-N 3.1Å; F29-I31 HydrophobicContact CB-CG2 4.31Å; F29-Y100 AromaticContact CD1-CD1 3.93Å; F29-Y100 HydrophobicContact CD1-CD1 3.93Å; F29-Y100 HydrophobicContact CD2-CD1 4.44Å; F29-Y100 HydrophobicContact CE1-CD1 4.19Å; F29-Y100 WeakPolarHBondContact CE2-O 3.41Å; F29-Y100 HydrophobicContact CG-CD1 4.06Å
30I97.6Very high92.9Very high64 Ų6448 Ų4833%0.32826%0.259SS..EExtended strand (participates in β ladder)trans-124.4106.3168-57.9176.9000105.8Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.14Å; Y16-I30 HydrophobicContact CG-CG2 4.41Å; T17-I30 WeakPolarHBondContact O-CA 3.33Å; K18-I30 HydrophobicContact CB-CG1 4.35Å; K18-I30 HydrophobicContact CG-CB 4.45Å; K18-I30 HydrophobicContact CG-CD1 4.42Å; K18-I30 HydrophobicContact CG-CG1 3.9Å; K18-I30 HydrophobicContact CG-CG2 4.13Å; P27-I30 HydrophobicContact CB-CG1 4.33Å; P27-I30 HydrophobicContact CG-CD1 3.8Å; P27-I30 HydrophobicContact CG-CG1 3.59Å
31I97.4Very high90.2Very high6 Ų650.8 Ų50.83%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-117.5148.3-175.361.9173.5000110.5Y16 T17 L19 F29 S33 I62 F92 Y100Y16-I31 CarbonylContact C-O 3.43Å; Y16-I31 VanDerWaalsContact CA-O 3.24Å; Y16-I31 WeakPolarHBondContact CA-O 3.49Å; T17-I31 PolarHBondContact N-O 2.98Å; T17-I31 PolarHBondContact O-N 3.3Å; L19-I31 HydrophobicContact CD2-CD1 3.78Å; L19-I31 HydrophobicContact CD2-CG1 4.05Å; F29-I31 HydrophobicContact CB-CG2 4.31Å; I31-S33 PolarHBondContact O-N 2.67Å; I31-I62 HydrophobicContact CD1-CD1 3.75Å; I31-I62 HydrophobicContact CD1-CG1 4.23Å; I31-F92 HydrophobicContact CD1-CE2 4.39Å; I31-F92 HydrophobicContact CD1-CZ 3.81Å; I31-F92 HydrophobicContact CG1-CZ 4.3Å; I31-Y100 HydrophobicContact CD1-CE2 4.42Å; I31-Y100 HydrophobicContact CG2-CE1 4.05Å
32P96.6Very high87.5Confident3 Ų357.9 Ų57.92%0.01931%0.314CS..EExtended strand (participates in β ladder)trans-53.3133.7167.6-25.833.3000111.6G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.19Å; Y16-P32 HydrophobicContact CE1-CG 4.26Å; P32-C34 PolarHBondContact O-N 3.02Å; P32-G63 WeakPolarHBondContact O-CA 3.33Å; P32-D64 VanDerWaalsContact CD-OD1 3.3Å; P32-D64 WeakPolarHBondContact CD-OD1 3.39Å; P32-D64 VanDerWaalsContact CG-OD1 3.3Å; P32-D64 WeakPolarHBondContact CG-OD1 3.09Å; P32-I67 HydrophobicContact CB-CD1 3.93Å; P32-I67 HydrophobicContact CG-CD1 3.59Å; P32-W76 HydrophobicContact CB-CH2 4.32Å; P32-W76 HydrophobicContact CB-CZ3 4.47Å
33S96.8Very high84.7Confident2 Ų264.6 Ų64.61%0.01435%0.353CS..SBendtrans-78.456.3178-58.80000111.6G13 G15 Y16 T17 I31G13-S33 WeakPolarHBondContact O-CB 3.41Å; G13-S33 PolarHBondContact O-OG 3.28Å; G15-S33 PolarHBondContact O-N 3.28Å; Y16-S33 WeakPolarHBondContact CA-OG 3.48Å; Y16-S33 PolarHBondContact N-OG 2.94Å; T17-S33 PolarHBondContact N-OG 3.13Å; T17-S33 PolarHBondContact OG1-OG 3.45Å; I31-S33 PolarHBondContact O-N 2.67Å
34C96.6Very high82.2Confident0 Ų065.6 Ų65.60%036%0.364CS..  trans-131.1153.9179.770.70000111.1P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 3.02Å; C34-I62 WeakPolarHBondContact O-CA 3.34Å; C34-G63 PolarHBondContact O-N 3.29Å; C34-G63 VanDerWaalsContact O-N 3.15Å; C34-T74 HydrophobicContact CB-CG2 3.75Å; C34-K75 VanDerWaalsContact CA-O 3.25Å; C34-K75 WeakPolarHBondContact CA-O 3.43Å; C34-K75 WeakPolarHBondContact CB-O 3.2Å; C34-W76 HydrophobicContact CB-CD2 3.74Å; C34-W76 HydrophobicContact CB-CE3 3.7Å; C34-W76 HydrophobicContact CB-CG 4.44Å; C34-W76 HydrophobicContact CB-CH2 3.82Å; C34-W76 HydrophobicContact CB-CZ2 3.86Å; C34-W76 HydrophobicContact CB-CZ3 3.74Å
35I96.7Very high79.7Confident0 Ų067.1 Ų67.10%037%0.372CS..EExtended strand (participates in β ladder)trans-130.2130.9178.4-177.1169.3000108.6I37 F60 Y61 I62 K75 L88 R91I35-I37 HydrophobicContact CD1-CG2 4.24Å; I35-I37 HydrophobicContact CG1-CG2 4Å; I35-F60 HydrophobicContact CD1-CB 4.31Å; I35-F60 HydrophobicContact CD1-CD2 3.54Å; I35-F60 HydrophobicContact CD1-CE2 4.04Å; I35-F60 HydrophobicContact CD1-CG 4.05Å; I35-F60 HydrophobicContact CG1-CB 4.22Å; I35-F60 HydrophobicContact CG1-CD2 3.86Å; I35-F60 HydrophobicContact CG1-CG 4.37Å; I35-Y61 CarbonylContact C-O 3.6Å; I35-Y61 WeakPolarHBondContact CA-O 3.48Å; I35-I62 HydrophobicContact CB-CG2 4.14Å; I35-I62 HydrophobicContact CD1-CG2 4.29Å; I35-I62 HydrophobicContact CG1-CG2 3.98Å; I35-K75 HydrophobicContact CG2-CB 4.18Å; I35-K75 PolarHBondContact N-O 3.15Å; I35-K75 PolarHBondContact O-N 3.22Å; I35-L88 HydrophobicContact CD1-CD2 4.28Å; I35-L88 HydrophobicContact CG2-CB 4.09Å; I35-L88 HydrophobicContact CG2-CD1 4.05Å; I35-L88 HydrophobicContact CG2-CD2 4.16Å; I35-L88 HydrophobicContact CG2-CG 4.34Å; I35-R91 HydrophobicContact CD1-CB 3.81Å
36A95.6Very high77.1Confident0 Ų072.1 Ų72.10%039%0.389CS..EExtended strand (participates in β ladder)trans-101.6117.617600000108.8F60 Y61 A66 K69 Y72A36-F60 VanDerWaalsContact O-CA 3.24Å; A36-F60 WeakPolarHBondContact O-CA 3.4Å; A36-F60 WeakPolarHBondContact O-CB 3.4Å; A36-Y61 PolarHBondContact N-O 3.48Å; A36-Y61 PolarHBondContact O-N 2.93Å; A36-Y61 VanDerWaalsContact O-N 3.09Å; A36-A66 HydrophobicContact CB-CB 3.61Å; A36-A66 WeakPolarHBondContact CB-O 3.22Å; A36-K69 HydrophobicContact CB-CB 4.38Å; A36-Y72 HydrophobicContact CB-CD1 4.44Å; A36-Y72 HydrophobicContact CB-CG 4.39Å
37I91.7Very high74.6Confident39 Ų3970 Ų7020%0.239%0.392CS..EExtended strand (participates in β ladder)trans-117152.218062.3177.4000109.9I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.24Å; I35-I37 HydrophobicContact CG1-CG2 4Å; I37-E39 PolarHBondContact O-N 3.17Å; I37-F60 HydrophobicContact CG2-CB 4.2Å; I37-Y72 CarbonylContact O-C 3.48Å; I37-Y72 WeakPolarHBondContact O-CA 3.46Å; I37-A73 PolarHBondContact N-O 3.33Å; I37-A73 VanDerWaalsContact N-O 3.16Å; I37-A73 PolarHBondContact O-N 3.4Å; I37-K75 HydrophobicContact CD1-CG 4Å; I37-K75 HydrophobicContact CG1-CG 4.16Å; I37-L88 HydrophobicContact CD1-CD2 4.1Å; I37-L88 HydrophobicContact CG2-CD2 3.87Å
38K85.1Confident72.1Confident116 Ų11674.4 Ų74.450%0.50441%0.412SS..  trans-66.3123.4168.6-80.4-178.2169.7165.30109.3S40 D59 Y72K38-S40 PolarHBondContact O-N 3.46Å; K38-S40 VanDerWaalsContact O-N 3.16Å; K38-D59 WeakPolarHBondContact CD-OD2 3.45Å; K38-D59 WeakPolarHBondContact CE-OD2 3.3Å; K38-D59 IonicContact NZ-OD2 2.65Å; K38-D59 PolarHBondContact NZ-OD2 3.42Å; K38-Y72 HydrophobicContact CG-CD1 4.02Å; K38-Y72 HydrophobicContact CG-CE1 3.69Å
39E69.4Low69.5Low129 Ų12981.5 Ų81.560%0.60344%0.435SS*.  trans-69112.7172.7-111.1173.7-163.900109.1I37 A41 A73 K75I37-E39 PolarHBondContact O-N 3.17Å; E39-A41 PolarHBondContact O-N 3.35Å; E39-A73 HydrophobicContact CB-CB 4.3Å; E39-A73 VanDerWaalsContact CD-CB 3.47Å; E39-A73 HydrophobicContact CG-CB 3.59Å; E39-A73 VanDerWaalsContact OE1-CB 3.25Å; E39-A73 WeakPolarHBondContact OE1-CB 3.41Å; E39-K75 IonicContact OE1-NZ 2.69Å; E39-K75 PolarHBondContact OE1-NZ 3.43Å; E39-K75 VanDerWaalsContact OE1-NZ 3.1Å
40S54.8Low66.8Low100 Ų10088.4 Ų88.470%0.69946%0.459SS*.  trans-60.2132.8163.661.10000108.2K38K38-S40 PolarHBondContact O-N 3.46Å; K38-S40 VanDerWaalsContact O-N 3.16Å
41A41.5Very low64.4Low58 Ų5891.7 Ų91.748%0.47947%0.474SS..  trans-39147.8-168.600000116.8E39E39-A41 PolarHBondContact O-N 3.35Å
42K41Very low62.1Low192 Ų19297.2 Ų97.284%0.83550%0.502SS*.  trans-44149.6175.6-72.3177.5176.8177.50113.3G44K42-G44 PolarHBondContact O-N 3.4Å
43V40.3Very low59.8Low150 Ų150105.6 Ų105.691%0.90954%0.538SS*.THydrogen-bonded Turntrans-48.1109.7170.3-179.40000109.9
44G43.4Very low58.3Low75 Ų75108.6 Ų108.677%0.77357%0.569SS**THydrogen-bonded Turntrans158.8-30.4-177.300000112.9K42K42-G44 PolarHBondContact O-N 3.4Å
45D42.4Very low56.9Low100 Ų100113.8 Ų113.854%0.53560%0.6SS.*  trans-107.480.4-177.4-118.8-27.6000111.9A47 Q48D45-A47 PolarHBondContact O-N 2.74Å; D45-Q48 PolarHBondContact O-N 3.46Å
46Q41.2Very low55.5Low190 Ų190118.1 Ų118.189%0.88862%0.624SS**THydrogen-bonded Turntrans-59.1-13174.5-83-175.9-8.100113.3
47A44.2Very low54.3Low74 Ų74121.1 Ų121.161%0.61264%0.64SS**THydrogen-bonded Turntrans-77.7-25.6178.300000113.9D45D45-A47 PolarHBondContact O-N 2.74Å
48Q44.7Very low53.6Low109 Ų109124.5 Ų124.551%0.50966%0.658SS.*G310 helixtrans-89.3-17.2-173.6-100.8-179.3-27.500115.2D45 R50 M51D45-Q48 PolarHBondContact O-N 3.46Å; Q48-R50 PolarHBondContact O-N 3.34Å; Q48-R50 VanDerWaalsContact O-N 3.08Å; Q48-M51 PolarHBondContact O-N 3.38Å
49R43.5Very low53.8Low223 Ų223121.1 Ų121.184%0.84265%0.645SS**G310 helixtrans-64.7-12.4176.6-81.1-172.6-177-179.3-0.3114.2
50R42.7Very low54.9Low227 Ų227115.3 Ų115.386%0.85762%0.618SS**G310 helixtrans-95.99.2177.5-74.4-174.8175.2-179.3-0.6114.1Q48Q48-R50 PolarHBondContact O-N 3.34Å; Q48-R50 VanDerWaalsContact O-N 3.08Å
51M46.7Very low56.9Low133 Ų133113.6 Ų113.666%0.65560%0.596SS**  trans-12521.3-169.6-73.9-171.67400116.2Q48 K53Q48-M51 PolarHBondContact O-N 3.38Å; M51-K53 PolarHBondContact O-N 2.94Å
52M48.9Very low59.5Low122 Ų122110.8 Ų110.860%0.60157%0.574SS**  trans-71.890.3155.8-77.5-177.7110.400107.3D57M52-D57 WeakPolarHBondContact CE-OD1 3.32Å
53K49.3Very low62.1Low178 Ų178101.7 Ų101.777%0.77453%0.534SS*.  trans-125.2111.5175.4-82.4-170.2175.5-175.50108M51M51-K53 PolarHBondContact O-N 2.94Å
54G64.9Low64.6Low66 Ų6699.6 Ų99.668%0.6852%0.518SS*.SBendtrans115.5-140.5170.800000113.7D56G54-D56 VanDerWaalsContact C-N 3.32Å; G54-D56 PolarHBondContact O-N 3.01Å
55V66Low67Low108 Ų108100 Ų10066%0.65550%0.499SS*.G310 helixtrans-879-173.6-67.40000114.3D57 L58V55-D57 PolarHBondContact O-N 3.07Å; V55-D57 VanDerWaalsContact O-N 3.16Å; V55-L58 HydrophobicContact CB-CD1 4.29Å; V55-L58 HydrophobicContact CG1-CD1 4.21Å; V55-L58 WeakPolarHBondContact O-CB 3.21Å; V55-L58 PolarHBondContact O-N 3.3Å
56D68.3Low69.4Low91 Ų9195.2 Ų95.249%0.48747%0.474SS..G310 helixtrans-60.9-24.8-179.7-74.3-19.6000112.3G54 L58 D59G54-D56 VanDerWaalsContact C-N 3.32Å; G54-D56 PolarHBondContact O-N 3.01Å; D56-L58 PolarHBondContact O-N 3.46Å; D56-D59 PolarHBondContact O-N 3.08Å
57D70.4Confident71.7Confident63 Ų6389.4 Ų89.434%0.33745%0.448SS..G310 helixtrans-69.8-20.3175-74.6-38000114M52 V55 F60 R91M52-D57 WeakPolarHBondContact CE-OD1 3.32Å; V55-D57 PolarHBondContact O-N 3.07Å; V55-D57 VanDerWaalsContact O-N 3.16Å; D57-F60 VanDerWaalsContact O-CD1 3.23Å; D57-F60 WeakPolarHBondContact O-CD1 3.48Å; D57-F60 WeakPolarHBondContact O-CE1 3.36Å; D57-R91 VanDerWaalsContact CG-NH2 3.31Å; D57-R91 PolarHBondContact O-NH1 3.49Å; D57-R91 IonicContact OD1-CZ 3.62Å; D57-R91 IonicContact OD1-NH1 3.25Å; D57-R91 PolarHBondContact OD1-NH1 3.29Å; D57-R91 IonicContact OD1-NH2 2.83Å; D57-R91 PolarHBondContact OD1-NH2 2.82Å; D57-R91 IonicContact OD2-NH2 2.69Å
58L77.6Confident73.5Confident111 Ų11192.9 Ų92.958%0.58146%0.456SS*.G310 helixtrans-90.5-8.5177.9-58.8174.9000112.9V55 D56 F60V55-L58 HydrophobicContact CB-CD1 4.29Å; V55-L58 HydrophobicContact CG1-CD1 4.21Å; V55-L58 WeakPolarHBondContact O-CB 3.21Å; V55-L58 PolarHBondContact O-N 3.3Å; D56-L58 PolarHBondContact O-N 3.46Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.84Å; L58-F60 VanDerWaalsContact O-N 3.08Å
59D88.1Confident75.5Confident44 Ų4490.6 Ų90.624%0.23545%0.445CS..  trans-86.273.9179.3-170.46000111.1K38 D56 Y72K38-D59 WeakPolarHBondContact CD-OD2 3.45Å; K38-D59 WeakPolarHBondContact CE-OD2 3.3Å; K38-D59 IonicContact NZ-OD2 2.65Å; K38-D59 PolarHBondContact NZ-OD2 3.42Å; D56-D59 PolarHBondContact O-N 3.08Å; D59-Y72 VanDerWaalsContact CG-OH 3.25Å; D59-Y72 PolarHBondContact OD1-OH 3.26Å; D59-Y72 PolarHBondContact OD2-OH 3.16Å
60F93.3Very high77.5Confident8 Ų885 Ų854%0.03544%0.437CS..EExtended strand (participates in β ladder)trans-142.2164.417666.9-87.3000111.7I35 A36 I37 D57 L58 I62 R91 E94 Q95I35-F60 HydrophobicContact CD1-CB 4.31Å; I35-F60 HydrophobicContact CD1-CD2 3.54Å; I35-F60 HydrophobicContact CD1-CE2 4.04Å; I35-F60 HydrophobicContact CD1-CG 4.05Å; I35-F60 HydrophobicContact CG1-CB 4.22Å; I35-F60 HydrophobicContact CG1-CD2 3.86Å; I35-F60 HydrophobicContact CG1-CG 4.37Å; A36-F60 VanDerWaalsContact O-CA 3.24Å; A36-F60 WeakPolarHBondContact O-CA 3.4Å; A36-F60 WeakPolarHBondContact O-CB 3.4Å; I37-F60 HydrophobicContact CG2-CB 4.2Å; D57-F60 VanDerWaalsContact O-CD1 3.23Å; D57-F60 WeakPolarHBondContact O-CD1 3.48Å; D57-F60 WeakPolarHBondContact O-CE1 3.36Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.84Å; L58-F60 VanDerWaalsContact O-N 3.08Å; F60-I62 HydrophobicContact CD2-CG2 4.01Å; F60-I62 HydrophobicContact CE2-CG2 4.05Å; F60-R91 HydrophobicContact CE1-CB 4.05Å; F60-R91 HydrophobicContact CE1-CG 4.32Å; F60-R91 HydrophobicContact CE2-CB 4.07Å; F60-R91 WeakPolarHBondContact CE2-O 3.44Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.5Å; F60-R91 WeakPolarHBondContact CZ-O 3.27Å; F60-E94 HydrophobicContact CZ-CB 4.42Å; F60-E94 WeakPolarHBondContact CZ-OE2 3.5Å; F60-Q95 HydrophobicContact CD2-CG 4.45Å; F60-Q95 HydrophobicContact CE2-CB 4.29Å; F60-Q95 HydrophobicContact CE2-CG 3.58Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å; F60-Q95 PolarHBondContact O-NE2 2.87Å
61Y95.4Very high79.6Confident63 Ų6379.6 Ų79.625%0.24744%0.435CS..EExtended strand (participates in β ladder)trans-128.8150.7173.4-60.7-88.7000109.1I35 A36 E65 A66 K69 Y72I35-Y61 CarbonylContact C-O 3.6Å; I35-Y61 WeakPolarHBondContact CA-O 3.48Å; A36-Y61 PolarHBondContact N-O 3.48Å; A36-Y61 PolarHBondContact O-N 2.93Å; A36-Y61 VanDerWaalsContact O-N 3.09Å; Y61-E65 HydrophobicContact CD1-CB 4.26Å; Y61-E65 WeakPolarHBondContact CD1-OE2 3.28Å; Y61-A66 WeakPolarHBondContact O-CB 3.45Å; Y61-K69 HydrophobicContact CD2-CD 4.28Å; Y61-K69 HydrophobicContact CD2-CG 4.08Å; Y61-K69 HydrophobicContact CE2-CD 4.39Å; Y61-K69 VanDerWaalsContact CE2-CE 3.41Å; Y61-K69 HydrophobicContact CE2-CG 4.37Å; Y61-Y72 HydrophobicContact CD2-CD1 4.33Å; Y61-Y72 HydrophobicContact CD2-CE1 4.02Å; Y61-Y72 AromaticContact CE2-CE1 3.92Å; Y61-Y72 HydrophobicContact CE2-CE1 3.92Å; Y61-Y72 HydrophobicContact CE2-CE2 4.18Å; Y61-Y72 AromaticContact CE2-CZ 3.7Å
62I97.1Very high81.7Confident0 Ų075.4 Ų75.40%041%0.412CS..EExtended strand (participates in β ladder)trans-122.3165.5171.270.3167.2000111.4I31 C34 I35 F60 F92 Q95 V96 Y100I31-I62 HydrophobicContact CD1-CD1 3.75Å; I31-I62 HydrophobicContact CD1-CG1 4.23Å; C34-I62 WeakPolarHBondContact O-CA 3.34Å; I35-I62 HydrophobicContact CB-CG2 4.14Å; I35-I62 HydrophobicContact CD1-CG2 4.29Å; I35-I62 HydrophobicContact CG1-CG2 3.98Å; F60-I62 HydrophobicContact CD2-CG2 4.01Å; F60-I62 HydrophobicContact CE2-CG2 4.05Å; I62-F92 HydrophobicContact CB-CD2 3.73Å; I62-F92 HydrophobicContact CB-CE2 3.76Å; I62-F92 HydrophobicContact CD1-CD2 4.09Å; I62-F92 HydrophobicContact CD1-CE1 4.43Å; I62-F92 HydrophobicContact CD1-CE2 3.97Å; I62-F92 HydrophobicContact CD1-CG 4.37Å; I62-F92 HydrophobicContact CD1-CZ 4.14Å; I62-F92 HydrophobicContact CG1-CE2 4.4Å; I62-F92 HydrophobicContact CG2-CB 4.41Å; I62-F92 HydrophobicContact CG2-CD2 3.53Å; I62-F92 HydrophobicContact CG2-CE2 4.12Å; I62-F92 HydrophobicContact CG2-CG 4.2Å; I62-Q95 HydrophobicContact CD1-CB 3.58Å; I62-Q95 HydrophobicContact CG1-CB 3.84Å; I62-Q95 HydrophobicContact CG2-CB 4.47Å; I62-V96 HydrophobicContact CD1-CG2 3.95Å; I62-Y100 HydrophobicContact CD1-CD2 4.05Å; I62-Y100 HydrophobicContact CD1-CE2 3.65Å; I62-Y100 HydrophobicContact CG1-CD2 4.43Å; I62-Y100 HydrophobicContact CG1-CE2 3.55Å; I62-Y100 PolarHBondContact O-OH 3.05Å
63G96.1Very high83.8Confident0 Ų070.2 Ų70.20%039%0.388CS..G310 helixtrans69.1-144.7174.300000113.4P32 C34 E65 A66P32-G63 WeakPolarHBondContact O-CA 3.33Å; C34-G63 PolarHBondContact O-N 3.29Å; C34-G63 VanDerWaalsContact O-N 3.15Å; G63-E65 PolarHBondContact O-N 3.47Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.47Å; G63-A66 PolarHBondContact O-N 3Å
64D92.9Very high85.9Confident106 Ų10664 Ų6457%0.56737%0.366SS*.G310 helixtrans-63.3-30.4-177.1-60.1-56.8000112.5P32 A66 I67P32-D64 VanDerWaalsContact CD-OD1 3.3Å; P32-D64 WeakPolarHBondContact CD-OD1 3.39Å; P32-D64 VanDerWaalsContact CG-OD1 3.3Å; P32-D64 WeakPolarHBondContact CG-OD1 3.09Å; D64-A66 PolarHBondContact O-N 3.39Å; D64-I67 PolarHBondContact O-N 2.83Å
65E92.7Very high87.4Confident83 Ų8364.3 Ų64.339%0.38835%0.348SS..G310 helixtrans-69.3-17.6176.4-65.6177.9-14500113.2Y61 G63 K69 K99Y61-E65 HydrophobicContact CD1-CB 4.26Å; Y61-E65 WeakPolarHBondContact CD1-OE2 3.28Å; G63-E65 PolarHBondContact O-N 3.47Å; E65-K69 WeakPolarHBondContact O-CD 3.34Å; E65-K99 IonicContact OE1-NZ 2.88Å; E65-K99 PolarHBondContact OE1-NZ 3.35Å; E65-K99 IonicContact OE2-NZ 2.9Å; E65-K99 PolarHBondContact OE2-NZ 3.45Å
66A93.2Very high88.8Confident0 Ų063 Ų630%033%0.331CS..G310 helixtrans-88.1-16.3176.900000113A36 Y61 G63 D64 T74A36-A66 HydrophobicContact CB-CB 3.61Å; A36-A66 WeakPolarHBondContact CB-O 3.22Å; Y61-A66 WeakPolarHBondContact O-CB 3.45Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.47Å; G63-A66 PolarHBondContact O-N 3Å; D64-A66 PolarHBondContact O-N 3.39Å; A66-T74 PolarHBondContact O-OG1 3.13Å
67I88.6Confident90.1Very high68 Ų6858.9 Ų58.935%0.34931%0.309SS..THydrogen-bonded Turntrans-79129.2177.3-62.3-179.6000108.3P32 D64 K69P32-I67 HydrophobicContact CB-CD1 3.93Å; P32-I67 HydrophobicContact CG-CD1 3.59Å; D64-I67 PolarHBondContact O-N 2.83Å; I67-K69 PolarHBondContact O-N 3.08Å; I67-K69 VanDerWaalsContact O-N 3.09Å
68D82.7Confident91.3Very high147 Ų14756 Ų5679%0.78629%0.294SS*.THydrogen-bonded Turntrans57.223.8177-57-32.5000115.3P70D68-P70 VanDerWaalsContact O-CD 3.24Å; D68-P70 WeakPolarHBondContact O-CD 3.46Å
69K86.6Confident91.9Very high62 Ų6255.2 Ų55.227%0.2728%0.283SS..  trans-67.6116.1176.6-165.673.2168.8-1500110.1A36 Y61 E65 I67 S71 Y72A36-K69 HydrophobicContact CB-CB 4.38Å; Y61-K69 HydrophobicContact CD2-CD 4.28Å; Y61-K69 HydrophobicContact CD2-CG 4.08Å; Y61-K69 HydrophobicContact CE2-CD 4.39Å; Y61-K69 VanDerWaalsContact CE2-CE 3.41Å; Y61-K69 HydrophobicContact CE2-CG 4.37Å; E65-K69 WeakPolarHBondContact O-CD 3.34Å; I67-K69 PolarHBondContact O-N 3.08Å; I67-K69 VanDerWaalsContact O-N 3.09Å; K69-S71 PolarHBondContact O-N 2.94Å; K69-Y72 HydrophobicContact CB-CD2 4.27Å; K69-Y72 HydrophobicContact CB-CG 4.44Å; K69-Y72 HydrophobicContact CG-CD2 3.54Å; K69-Y72 HydrophobicContact CG-CE2 4.08Å; K69-Y72 HydrophobicContact CG-CG 4.04Å; K69-Y72 PolarHBondContact O-N 3.49Å
70P85.6Confident91.8Very high105 Ų10559.2 Ų59.268%0.68230%0.3SS*.THydrogen-bonded Turntrans-62.3138.2-177.1-22.733.9000111.7D68 Y72D68-P70 VanDerWaalsContact O-CD 3.24Å; D68-P70 WeakPolarHBondContact O-CD 3.46Å; P70-Y72 VanDerWaalsContact O-CD2 3.25Å; P70-Y72 WeakPolarHBondContact O-CD2 3.32Å; P70-Y72 PolarHBondContact O-N 3.09Å
71S87.6Confident91.5Very high114 Ų11459.4 Ų59.480%0.79731%0.305SS*.THydrogen-bonded Turntrans70.28.4-178.9-51.40000116K69K69-S71 PolarHBondContact O-N 2.94Å
72Y91.1Very high91.4Very high44 Ų4459.5 Ų59.517%0.17331%0.309CS..  trans-115.3153.8171.2-64.9-109.8000110.1A36 I37 K38 D59 Y61 K69 P70A36-Y72 HydrophobicContact CB-CD1 4.44Å; A36-Y72 HydrophobicContact CB-CG 4.39Å; I37-Y72 CarbonylContact O-C 3.48Å; I37-Y72 WeakPolarHBondContact O-CA 3.46Å; K38-Y72 HydrophobicContact CG-CD1 4.02Å; K38-Y72 HydrophobicContact CG-CE1 3.69Å; D59-Y72 VanDerWaalsContact CG-OH 3.25Å; D59-Y72 PolarHBondContact OD1-OH 3.26Å; D59-Y72 PolarHBondContact OD2-OH 3.16Å; Y61-Y72 HydrophobicContact CD2-CD1 4.33Å; Y61-Y72 HydrophobicContact CD2-CE1 4.02Å; Y61-Y72 AromaticContact CE2-CE1 3.92Å; Y61-Y72 HydrophobicContact CE2-CE1 3.92Å; Y61-Y72 HydrophobicContact CE2-CE2 4.18Å; Y61-Y72 AromaticContact CE2-CZ 3.7Å; K69-Y72 HydrophobicContact CB-CD2 4.27Å; K69-Y72 HydrophobicContact CB-CG 4.44Å; K69-Y72 HydrophobicContact CG-CD2 3.54Å; K69-Y72 HydrophobicContact CG-CE2 4.08Å; K69-Y72 HydrophobicContact CG-CG 4.04Å; K69-Y72 PolarHBondContact O-N 3.49Å; P70-Y72 VanDerWaalsContact O-CD2 3.25Å; P70-Y72 WeakPolarHBondContact O-CD2 3.32Å; P70-Y72 PolarHBondContact O-N 3.09Å
73A91.9Very high91.4Very high13 Ų1360.8 Ų60.811%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-103.1116.717200000109.5I37 E39 K75I37-A73 PolarHBondContact N-O 3.33Å; I37-A73 VanDerWaalsContact N-O 3.16Å; I37-A73 PolarHBondContact O-N 3.4Å; E39-A73 HydrophobicContact CB-CB 4.3Å; E39-A73 VanDerWaalsContact CD-CB 3.47Å; E39-A73 HydrophobicContact CG-CB 3.59Å; E39-A73 VanDerWaalsContact OE1-CB 3.25Å; E39-A73 WeakPolarHBondContact OE1-CB 3.41Å; A73-K75 PolarHBondContact O-N 3.46Å
74T94Very high91.3Very high49 Ų4967.3 Ų67.330%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-72.5122.4174.9-480000110.1C34 A66C34-T74 HydrophobicContact CB-CG2 3.75Å; A66-T74 PolarHBondContact O-OG1 3.13Å
75K95.3Very high91.5Very high72 Ų7265.3 Ų65.331%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-115.7153.1176.4-53.3-60.3178.5-170.90109.8C34 I35 I37 E39 A73 L88C34-K75 VanDerWaalsContact CA-O 3.25Å; C34-K75 WeakPolarHBondContact CA-O 3.43Å; C34-K75 WeakPolarHBondContact CB-O 3.2Å; I35-K75 HydrophobicContact CG2-CB 4.18Å; I35-K75 PolarHBondContact N-O 3.15Å; I35-K75 PolarHBondContact O-N 3.22Å; I37-K75 HydrophobicContact CD1-CG 4Å; I37-K75 HydrophobicContact CG1-CG 4.16Å; E39-K75 IonicContact OE1-NZ 2.69Å; E39-K75 PolarHBondContact OE1-NZ 3.43Å; E39-K75 VanDerWaalsContact OE1-NZ 3.1Å; A73-K75 PolarHBondContact O-N 3.46Å; K75-L88 HydrophobicContact CB-CD1 3.69Å; K75-L88 HydrophobicContact CG-CD1 4.06Å
76W95.3Very high91.7Very high80 Ų8064 Ų6430%0.30333%0.328SS..  trans-123.394-178.2-61.784000107.7P32 C34 I78P32-W76 HydrophobicContact CB-CH2 4.32Å; P32-W76 HydrophobicContact CB-CZ3 4.47Å; C34-W76 HydrophobicContact CB-CD2 3.74Å; C34-W76 HydrophobicContact CB-CE3 3.7Å; C34-W76 HydrophobicContact CB-CG 4.44Å; C34-W76 HydrophobicContact CB-CH2 3.82Å; C34-W76 HydrophobicContact CB-CZ2 3.86Å; C34-W76 HydrophobicContact CB-CZ3 3.74Å; W76-I78 PolarHBondContact O-N 3.45Å
77P96.4Very high91.7Very high4 Ų469.2 Ų69.23%0.02636%0.356CS..  trans-70.5-16.6-170.826.9-34.1000113.3E84 D85 L88P77-E84 PolarHBondContact O-N 3.32Å; P77-D85 HydrophobicContact CB-CB 4.41Å; P77-L88 HydrophobicContact CB-CB 4.02Å
78I95.1Very high92.1Very high4 Ų466.6 Ų66.62%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-108.3121.5179.4-55.5172.3000109.2C12 W76 I82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.73Å; W76-I78 PolarHBondContact O-N 3.45Å; I78-I82 CarbonylContact C-O 3.58Å; I78-I82 WeakPolarHBondContact CA-O 3.4Å; I78-V83 HydrophobicContact CG1-CG2 4.34Å; I78-M89 HydrophobicContact CD1-SD 4.07Å; I78-M89 HydrophobicContact CG1-SD 4.17Å
79R90.4Very high92.8Very high93 Ų9360.2 Ų60.235%0.35131%0.308SS..EExtended strand (participates in β ladder)trans-121.1130.8173.4-61.6-58.2-168.9172.63.8109.8G81 I82 E84R79-G81 PolarHBondContact O-N 2.88Å; R79-I82 PolarHBondContact N-O 2.93Å; R79-I82 PolarHBondContact O-N 3.03Å; R79-E84 HydrophobicContact CB-CG 4.04Å; R79-E84 WeakPolarHBondContact CB-OE1 3.16Å; R79-E84 VanDerWaalsContact CG-CD 3.44Å; R79-E84 HydrophobicContact CG-CG 4.12Å; R79-E84 WeakPolarHBondContact CG-OE2 3.19Å
80H86.1Confident93.3Very high128 Ų12859.8 Ų59.859%0.59331%0.307SS*.THydrogen-bonded Turntrans50.431.3-179.4-54.5-72.2000114.2
81G88.1Confident93.8Very high13 Ų1357.2 Ų57.213%0.13428%0.284CS..THydrogen-bonded Turntrans88.4-7.4179.800000115.2T14 R79 P115T14-G81 PolarHBondContact OG1-N 3.11Å; R79-G81 PolarHBondContact O-N 2.88Å; G81-P115 WeakPolarHBondContact O-CD 3.41Å; G81-P115 VanDerWaalsContact O-CG 3.32Å; G81-P115 WeakPolarHBondContact O-CG 3.49Å
82I92.9Very high94.3Very high64 Ų6451.9 Ų51.933%0.32825%0.247SC..EExtended strand (participates in β ladder)trans-105.4140.7-178.2-58.1178.1000109.6I78 R79 E84 P115I78-I82 CarbonylContact C-O 3.58Å; I78-I82 WeakPolarHBondContact CA-O 3.4Å; R79-I82 PolarHBondContact N-O 2.93Å; R79-I82 PolarHBondContact O-N 3.03Å; I82-E84 PolarHBondContact O-N 3.12Å; I82-P115 HydrophobicContact CG1-CG 4.28Å
83V96.1Very high94.6Very high28 Ų2850.1 Ų50.117%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-72.1121.3172.6-178.60000108.8I78 W86 M89I78-V83 HydrophobicContact CG1-CG2 4.34Å; V83-W86 HydrophobicContact CB-CD2 4.41Å; V83-W86 HydrophobicContact CB-CH2 4.09Å; V83-W86 HydrophobicContact CB-CZ2 3.94Å; V83-W86 HydrophobicContact CB-CZ3 4.39Å; V83-W86 HydrophobicContact CG1-CD2 3.75Å; V83-W86 HydrophobicContact CG1-CE3 3.92Å; V83-W86 HydrophobicContact CG1-CG 4.18Å; V83-W86 HydrophobicContact CG1-CH2 4.37Å; V83-W86 HydrophobicContact CG1-CZ2 4.21Å; V83-W86 HydrophobicContact CG1-CZ3 4.24Å; V83-W86 HydrophobicContact CG2-CH2 4.24Å; V83-W86 HydrophobicContact CG2-CZ3 4.4Å; V83-M89 HydrophobicContact CG1-CB 3.73Å; V83-M89 HydrophobicContact CG1-CG 3.96Å; V83-M89 HydrophobicContact CG2-CG 4.08Å; V83-M89 HydrophobicContact CG2-SD 4.28Å
84E95.2Very high94.8Very high137 Ų13752.1 Ų52.164%0.6425%0.247SC*.SBendtrans-100.7-26.3175.7-70-167.2165.100112.8P77 R79 I82P77-E84 PolarHBondContact O-N 3.32Å; R79-E84 HydrophobicContact CB-CG 4.04Å; R79-E84 WeakPolarHBondContact CB-OE1 3.16Å; R79-E84 VanDerWaalsContact CG-CD 3.44Å; R79-E84 HydrophobicContact CG-CG 4.12Å; R79-E84 WeakPolarHBondContact CG-OE2 3.19Å; I82-E84 PolarHBondContact O-N 3.12Å
85D96.3Very high95Very high63 Ų6351 Ų5134%0.33724%0.238SC..  trans-128.2100.3-177.7-168.1-35.9000109.5P77 D87 L88 M89P77-D85 HydrophobicContact CB-CB 4.41Å; D85-D87 PolarHBondContact OD1-N 3.35Å; D85-L88 HydrophobicContact CB-CB 4.15Å; D85-L88 HydrophobicContact CB-CD1 4.21Å; D85-L88 HydrophobicContact CB-CG 4.31Å; D85-L88 VanDerWaalsContact CG-CG 3.47Å; D85-L88 WeakPolarHBondContact OD1-CG 3.31Å; D85-L88 PolarHBondContact OD1-N 3.22Å; D85-L88 VanDerWaalsContact OD1-N 3.08Å; D85-L88 VanDerWaalsContact OD2-CD1 3.25Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.2Å; D85-M89 WeakPolarHBondContact O-CB 3.31Å; D85-M89 PolarHBondContact O-N 3.27Å
86W96.6Very high95.1Very high55 Ų5547.5 Ų47.521%0.20822%0.223CC..Hα-helixtrans-73-36.3-175.2-72.1100000112.6V83 L88 M89 E90 N122 Y125 T126 I129V83-W86 HydrophobicContact CB-CD2 4.41Å; V83-W86 HydrophobicContact CB-CH2 4.09Å; V83-W86 HydrophobicContact CB-CZ2 3.94Å; V83-W86 HydrophobicContact CB-CZ3 4.39Å; V83-W86 HydrophobicContact CG1-CD2 3.75Å; V83-W86 HydrophobicContact CG1-CE3 3.92Å; V83-W86 HydrophobicContact CG1-CG 4.18Å; V83-W86 HydrophobicContact CG1-CH2 4.37Å; V83-W86 HydrophobicContact CG1-CZ2 4.21Å; V83-W86 HydrophobicContact CG1-CZ3 4.24Å; V83-W86 HydrophobicContact CG2-CH2 4.24Å; V83-W86 HydrophobicContact CG2-CZ3 4.4Å; W86-L88 VanDerWaalsContact C-N 3.3Å; W86-L88 PolarHBondContact O-N 3.18Å; W86-M89 PolarHBondContact O-N 3.37Å; W86-M89 VanDerWaalsContact O-N 3.14Å; W86-E90 WeakPolarHBondContact O-CB 3.39Å; W86-E90 PolarHBondContact O-N 2.8Å; W86-N122 HydrophobicContact CH2-CB 4.13Å; W86-N122 VanDerWaalsContact CH2-O 3.29Å; W86-N122 WeakPolarHBondContact CH2-O 3.36Å; W86-N122 HydrophobicContact CZ2-CB 3.82Å; W86-Y125 HydrophobicContact CD2-CD2 4.46Å; W86-Y125 AromaticContact CE2-CD2 3.76Å; W86-Y125 AromaticContact CZ2-CD2 3.88Å; W86-Y125 HydrophobicContact CZ2-CD2 3.88Å; W86-Y125 HydrophobicContact CZ2-CG 4.36Å; W86-Y125 AromaticContact NE1-CD2 3.78Å; W86-T126 WeakPolarHBondContact CH2-OG1 3.36Å; W86-I129 HydrophobicContact CE3-CD1 3.69Å; W86-I129 HydrophobicContact CZ3-CD1 4.21Å
87D94.6Very high95.2Very high110 Ų11043.7 Ų43.759%0.58821%0.209SC*.Hα-helixtrans-60.4-43.5176-62.8-11.5000110.4D85 R91D85-D87 PolarHBondContact OD1-N 3.35Å; D87-R91 WeakPolarHBondContact O-CG 3.28Å; D87-R91 PolarHBondContact O-N 2.92Å
88L95.8Very high95.3Very high13 Ų1348.8 Ų48.87%0.06823%0.23CC..Hα-helixtrans-71.5-33.5176.2-69.2-172.8000112.9I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.28Å; I35-L88 HydrophobicContact CG2-CB 4.09Å; I35-L88 HydrophobicContact CG2-CD1 4.05Å; I35-L88 HydrophobicContact CG2-CD2 4.16Å; I35-L88 HydrophobicContact CG2-CG 4.34Å; I37-L88 HydrophobicContact CD1-CD2 4.1Å; I37-L88 HydrophobicContact CG2-CD2 3.87Å; K75-L88 HydrophobicContact CB-CD1 3.69Å; K75-L88 HydrophobicContact CG-CD1 4.06Å; P77-L88 HydrophobicContact CB-CB 4.02Å; D85-L88 HydrophobicContact CB-CB 4.15Å; D85-L88 HydrophobicContact CB-CD1 4.21Å; D85-L88 HydrophobicContact CB-CG 4.31Å; D85-L88 VanDerWaalsContact CG-CG 3.47Å; D85-L88 WeakPolarHBondContact OD1-CG 3.31Å; D85-L88 PolarHBondContact OD1-N 3.22Å; D85-L88 VanDerWaalsContact OD1-N 3.08Å; D85-L88 VanDerWaalsContact OD2-CD1 3.25Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.2Å; W86-L88 VanDerWaalsContact C-N 3.3Å; W86-L88 PolarHBondContact O-N 3.18Å; L88-F92 VanDerWaalsContact O-CB 3.26Å; L88-F92 WeakPolarHBondContact O-CB 3.41Å; L88-F92 PolarHBondContact O-N 3.29Å
89M97.6Very high95.4Very high13 Ų1352 Ų526%0.06425%0.245CC..Hα-helixtrans-68.7-39.8177.4-170.464.8-136.900111.7C12 I78 V83 D85 W86 F92 M93C12-M89 HydrophobicContact CB-CE 4.44Å; I78-M89 HydrophobicContact CD1-SD 4.07Å; I78-M89 HydrophobicContact CG1-SD 4.17Å; V83-M89 HydrophobicContact CG1-CB 3.73Å; V83-M89 HydrophobicContact CG1-CG 3.96Å; V83-M89 HydrophobicContact CG2-CG 4.08Å; V83-M89 HydrophobicContact CG2-SD 4.28Å; D85-M89 WeakPolarHBondContact O-CB 3.31Å; D85-M89 PolarHBondContact O-N 3.27Å; W86-M89 PolarHBondContact O-N 3.37Å; W86-M89 VanDerWaalsContact O-N 3.14Å; M89-F92 HydrophobicContact CE-CD1 3.9Å; M89-F92 WeakPolarHBondContact O-CB 3.46Å; M89-F92 PolarHBondContact O-N 3.44Å; M89-M93 HydrophobicContact CE-CG 3.84Å; M89-M93 HydrophobicContact CE-SD 3.87Å; M89-M93 WeakPolarHBondContact O-CG 3.27Å; M89-M93 PolarHBondContact O-N 2.75Å
90E97.3Very high95.7Very high53 Ų5349.1 Ų49.125%0.24823%0.234CC..Hα-helixtrans-61.2-51.7174.5-178.9172.1-149.300111.1W86 F92 M93 E94 I129 S133W86-E90 WeakPolarHBondContact O-CB 3.39Å; W86-E90 PolarHBondContact O-N 2.8Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 2.88Å; E90-M93 WeakPolarHBondContact O-CA 3.43Å; E90-M93 WeakPolarHBondContact O-CB 3.42Å; E90-M93 PolarHBondContact O-N 3Å; E90-E94 PolarHBondContact O-N 3.39Å; E90-I129 HydrophobicContact CB-CD1 4.04Å; E90-I129 HydrophobicContact CB-CG1 4.27Å; E90-I129 HydrophobicContact CB-CG2 4.33Å; E90-I129 HydrophobicContact CG-CG1 4.35Å; E90-I129 HydrophobicContact CG-CG2 4.02Å; E90-S133 VanDerWaalsContact OE1-CB 3.23Å; E90-S133 WeakPolarHBondContact OE1-CB 3.18Å; E90-S133 PolarHBondContact OE1-OG 3.4Å
91R95.9Very high96.2Very high52 Ų5243.5 Ų43.520%0.19621%0.208CC..Hα-helixtrans-58.1-39.1174.3-68.5179-159.3-147.21.5112.3I35 D57 F60 D87 M93 E94 Q95I35-R91 HydrophobicContact CD1-CB 3.81Å; D57-R91 VanDerWaalsContact CG-NH2 3.31Å; D57-R91 PolarHBondContact O-NH1 3.49Å; D57-R91 IonicContact OD1-CZ 3.62Å; D57-R91 IonicContact OD1-NH1 3.25Å; D57-R91 PolarHBondContact OD1-NH1 3.29Å; D57-R91 IonicContact OD1-NH2 2.83Å; D57-R91 PolarHBondContact OD1-NH2 2.82Å; D57-R91 IonicContact OD2-NH2 2.69Å; F60-R91 HydrophobicContact CE1-CB 4.05Å; F60-R91 HydrophobicContact CE1-CG 4.32Å; F60-R91 HydrophobicContact CE2-CB 4.07Å; F60-R91 WeakPolarHBondContact CE2-O 3.44Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.5Å; F60-R91 WeakPolarHBondContact CZ-O 3.27Å; D87-R91 WeakPolarHBondContact O-CG 3.28Å; D87-R91 PolarHBondContact O-N 2.92Å; R91-M93 VanDerWaalsContact C-N 3.31Å; R91-M93 PolarHBondContact O-N 2.86Å; R91-E94 WeakPolarHBondContact O-CB 3.42Å; R91-E94 PolarHBondContact O-N 3.4Å; R91-Q95 PolarHBondContact O-N 3.46Å
92F97.6Very high96.7Very high2 Ų252.8 Ų52.81%0.00924%0.239CC..Hα-helixtrans-59.8-44.4175.2-175.9-83.9000111T17 I31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 4.05Å; T17-F92 HydrophobicContact CG2-CZ 4.37Å; I31-F92 HydrophobicContact CD1-CE2 4.39Å; I31-F92 HydrophobicContact CD1-CZ 3.81Å; I31-F92 HydrophobicContact CG1-CZ 4.3Å; I62-F92 HydrophobicContact CB-CD2 3.73Å; I62-F92 HydrophobicContact CB-CE2 3.76Å; I62-F92 HydrophobicContact CD1-CD2 4.09Å; I62-F92 HydrophobicContact CD1-CE1 4.43Å; I62-F92 HydrophobicContact CD1-CE2 3.97Å; I62-F92 HydrophobicContact CD1-CG 4.37Å; I62-F92 HydrophobicContact CD1-CZ 4.14Å; I62-F92 HydrophobicContact CG1-CE2 4.4Å; I62-F92 HydrophobicContact CG2-CB 4.41Å; I62-F92 HydrophobicContact CG2-CD2 3.53Å; I62-F92 HydrophobicContact CG2-CE2 4.12Å; I62-F92 HydrophobicContact CG2-CG 4.2Å; L88-F92 VanDerWaalsContact O-CB 3.26Å; L88-F92 WeakPolarHBondContact O-CB 3.41Å; L88-F92 PolarHBondContact O-N 3.29Å; M89-F92 HydrophobicContact CE-CD1 3.9Å; M89-F92 WeakPolarHBondContact O-CB 3.46Å; M89-F92 PolarHBondContact O-N 3.44Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 2.88Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.34Å; F92-Q95 PolarHBondContact O-N 3.39Å; F92-V96 HydrophobicContact CD1-CG2 3.8Å; F92-V96 HydrophobicContact CE1-CG2 3.55Å; F92-V96 HydrophobicContact CZ-CG2 4.36Å; F92-V96 WeakPolarHBondContact O-CG2 3.26Å; F92-V96 PolarHBondContact O-N 2.78Å; F92-V96 VanDerWaalsContact O-N 3.13Å
93M98.1Very high96.8Very high7 Ų750 Ų503%0.03423%0.225CC..Hα-helixtrans-63.9-34176.6-72.2-58.5-6500113.4V10 M89 E90 R91 Q95 V96 I97 L112 M130 F134V10-M93 HydrophobicContact CG1-SD 4.44Å; M89-M93 HydrophobicContact CE-CG 3.84Å; M89-M93 HydrophobicContact CE-SD 3.87Å; M89-M93 WeakPolarHBondContact O-CG 3.27Å; M89-M93 PolarHBondContact O-N 2.75Å; E90-M93 WeakPolarHBondContact O-CA 3.43Å; E90-M93 WeakPolarHBondContact O-CB 3.42Å; E90-M93 PolarHBondContact O-N 3Å; R91-M93 VanDerWaalsContact C-N 3.31Å; R91-M93 PolarHBondContact O-N 2.86Å; M93-Q95 PolarHBondContact O-N 2.82Å; M93-V96 HydrophobicContact CE-CG1 4.48Å; M93-V96 WeakPolarHBondContact O-CB 3.42Å; M93-V96 PolarHBondContact O-N 3.28Å; M93-V96 HydrophobicContact SD-CB 4.46Å; M93-I97 HydrophobicContact CE-CD1 4.41Å; M93-I97 WeakPolarHBondContact O-CG1 3.23Å; M93-I97 PolarHBondContact O-N 3.29Å; M93-L112 HydrophobicContact CE-CD2 4.21Å; M93-M130 HydrophobicContact CE-CE 4.37Å; M93-M130 HydrophobicContact CE-SD 4.02Å; M93-F134 HydrophobicContact CB-CE2 3.65Å; M93-F134 HydrophobicContact CB-CZ 3.9Å
94E96.6Very high96.9Very high55 Ų5553.4 Ų53.426%0.25724%0.239SC..Hα-helixtrans-54.5-51.2174.9-65176.3172.900111.3F60 E90 R91 F92 I97 F98 F134F60-E94 HydrophobicContact CZ-CB 4.42Å; F60-E94 WeakPolarHBondContact CZ-OE2 3.5Å; E90-E94 PolarHBondContact O-N 3.39Å; R91-E94 WeakPolarHBondContact O-CB 3.42Å; R91-E94 PolarHBondContact O-N 3.4Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.34Å; E94-I97 PolarHBondContact O-N 3.49Å; E94-F98 WeakPolarHBondContact O-CB 3.33Å; E94-F98 VanDerWaalsContact O-CD2 3.24Å; E94-F98 WeakPolarHBondContact O-CD2 3.22Å; E94-F98 PolarHBondContact O-N 3.13Å; E94-F134 HydrophobicContact CB-CE1 4.4Å; E94-F134 HydrophobicContact CB-CZ 4.43Å; E94-F134 HydrophobicContact CG-CE1 3.81Å; E94-F134 HydrophobicContact CG-CZ 3.78Å
95Q97.1Very high97Very high24 Ų2447 Ų4711%0.11221%0.21CC..Iπ-helixtrans-69.9-35.6178.3-77.8-167.432.900112F60 I62 R91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.45Å; F60-Q95 HydrophobicContact CE2-CB 4.29Å; F60-Q95 HydrophobicContact CE2-CG 3.58Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å; F60-Q95 PolarHBondContact O-NE2 2.87Å; I62-Q95 HydrophobicContact CD1-CB 3.58Å; I62-Q95 HydrophobicContact CG1-CB 3.84Å; I62-Q95 HydrophobicContact CG2-CB 4.47Å; R91-Q95 PolarHBondContact O-N 3.46Å; F92-Q95 PolarHBondContact O-N 3.39Å; M93-Q95 PolarHBondContact O-N 2.82Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 3Å; Q95-K99 HydrophobicContact CB-CB 4.25Å; Q95-K99 HydrophobicContact CG-CB 4.44Å; Q95-K99 HydrophobicContact CG-CD 4.39Å; Q95-K99 WeakPolarHBondContact O-CA 3.46Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.5Å; Q95-K99 PolarHBondContact O-N 3.34Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.5Å; Q95-Y100 PolarHBondContact O-N 3.11Å
96V98.2Very high97Very high0 Ų049 Ų490%022%0.217CC..Iπ-helixtrans-54.2-49.2173.4168.10000110.8V10 L19 I62 F92 M93 L101V10-V96 HydrophobicContact CG1-CG1 4.35Å; V10-V96 HydrophobicContact CG2-CG1 4.12Å; L19-V96 HydrophobicContact CB-CG1 4.24Å; L19-V96 HydrophobicContact CD1-CG1 4.44Å; L19-V96 HydrophobicContact CD2-CB 4.49Å; L19-V96 HydrophobicContact CD2-CG1 4.03Å; L19-V96 HydrophobicContact CD2-CG2 3.97Å; L19-V96 HydrophobicContact CG-CG1 4.47Å; I62-V96 HydrophobicContact CD1-CG2 3.95Å; F92-V96 HydrophobicContact CD1-CG2 3.8Å; F92-V96 HydrophobicContact CE1-CG2 3.55Å; F92-V96 HydrophobicContact CZ-CG2 4.36Å; F92-V96 WeakPolarHBondContact O-CG2 3.26Å; F92-V96 PolarHBondContact O-N 2.78Å; F92-V96 VanDerWaalsContact O-N 3.13Å; M93-V96 HydrophobicContact CE-CG1 4.48Å; M93-V96 WeakPolarHBondContact O-CB 3.42Å; M93-V96 PolarHBondContact O-N 3.28Å; M93-V96 HydrophobicContact SD-CB 4.46Å; V96-L101 HydrophobicContact CG1-CD1 4.06Å; V96-L101 HydrophobicContact CG1-CG 4.44Å; V96-L101 WeakPolarHBondContact O-CB 3.29Å; V96-L101 WeakPolarHBondContact O-CG 3.37Å; V96-L101 PolarHBondContact O-N 2.93Å
97I98.3Very high97.1Very high0 Ų051.1 Ų51.10%023%0.233CC..Iπ-helixtrans-73.4-57.8-176.3-64.7169.2000110.9M93 E94 Q95 R102 A103 P105 F110 F134M93-I97 HydrophobicContact CE-CD1 4.41Å; M93-I97 WeakPolarHBondContact O-CG1 3.23Å; M93-I97 PolarHBondContact O-N 3.29Å; E94-I97 PolarHBondContact O-N 3.49Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 3Å; I97-R102 WeakPolarHBondContact O-CA 3.28Å; I97-R102 PolarHBondContact O-N 3.01Å; I97-A103 PolarHBondContact O-N 3.25Å; I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.18Å; I97-F110 HydrophobicContact CD1-CE1 4.27Å; I97-F110 HydrophobicContact CD1-CZ 4.23Å; I97-F110 HydrophobicContact CG1-CE1 4.05Å; I97-F110 HydrophobicContact CG1-CZ 4.13Å; I97-F134 HydrophobicContact CD1-CB 4.23Å; I97-F134 HydrophobicContact CD1-CD1 3.86Å; I97-F134 HydrophobicContact CD1-CD2 3.78Å; I97-F134 HydrophobicContact CD1-CE1 4.16Å; I97-F134 HydrophobicContact CD1-CE2 4.07Å; I97-F134 HydrophobicContact CD1-CG 3.68Å; I97-F134 HydrophobicContact CD1-CZ 4.27Å
98F97.4Very high97.3Very high110 Ų11046.5 Ų46.548%0.48221%0.208SC..Iπ-helixtrans-85.1-33.1-167.7-62.8-66.6000113.8E94 P105 F134E94-F98 WeakPolarHBondContact O-CB 3.33Å; E94-F98 VanDerWaalsContact O-CD2 3.24Å; E94-F98 WeakPolarHBondContact O-CD2 3.22Å; E94-F98 PolarHBondContact O-N 3.13Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4Å; F98-F134 HydrophobicContact CE2-CD1 4.09Å; F98-F134 HydrophobicContact CE2-CE1 4.04Å; F98-F134 HydrophobicContact CZ-CD1 4.47Å
99K96.6Very high97.4Very high73 Ų7347.4 Ų47.432%0.31721%0.211SC..Iπ-helixtrans-91.3-50.7-177.6-177-174.6175.3-1710112.4E65 Q95E65-K99 IonicContact OE1-NZ 2.88Å; E65-K99 PolarHBondContact OE1-NZ 3.35Å; E65-K99 IonicContact OE2-NZ 2.9Å; E65-K99 PolarHBondContact OE2-NZ 3.45Å; Q95-K99 HydrophobicContact CB-CB 4.25Å; Q95-K99 HydrophobicContact CG-CB 4.44Å; Q95-K99 HydrophobicContact CG-CD 4.39Å; Q95-K99 WeakPolarHBondContact O-CA 3.46Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.5Å; Q95-K99 PolarHBondContact O-N 3.34Å
100Y97.1Very high97.4Very high31 Ų3146.8 Ų46.812%0.12221%0.207CC..Iπ-helixtrans-87.4-59-173.1-70-89.8000112.6F29 I31 I62 Q95 R102F29-Y100 AromaticContact CD1-CD1 3.93Å; F29-Y100 HydrophobicContact CD1-CD1 3.93Å; F29-Y100 HydrophobicContact CD2-CD1 4.44Å; F29-Y100 HydrophobicContact CE1-CD1 4.19Å; F29-Y100 WeakPolarHBondContact CE2-O 3.41Å; F29-Y100 HydrophobicContact CG-CD1 4.06Å; I31-Y100 HydrophobicContact CD1-CE2 4.42Å; I31-Y100 HydrophobicContact CG2-CE1 4.05Å; I62-Y100 HydrophobicContact CD1-CD2 4.05Å; I62-Y100 HydrophobicContact CD1-CE2 3.65Å; I62-Y100 HydrophobicContact CG1-CD2 4.43Å; I62-Y100 HydrophobicContact CG1-CE2 3.55Å; I62-Y100 PolarHBondContact O-OH 3.05Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.5Å; Q95-Y100 PolarHBondContact O-N 3.11Å; Y100-R102 VanDerWaalsContact C-N 3.33Å
101L97.3Very high97.5Very high10 Ų1044.3 Ų44.35%0.05220%0.196CC..Iπ-helixtrans-70.2-33.4-180-67.7177.3000112C8 V10 L19 Y21 V96 A103C8-L101 HydrophobicContact CB-CD1 4.17Å; V10-L101 HydrophobicContact CG2-CD1 4.43Å; L19-L101 HydrophobicContact CD1-CD2 3.59Å; L19-L101 HydrophobicContact CD1-CG 3.82Å; Y21-L101 HydrophobicContact CE2-CD2 4.21Å; Y21-L101 PolarHBondContact OH-O 3Å; V96-L101 HydrophobicContact CG1-CD1 4.06Å; V96-L101 HydrophobicContact CG1-CG 4.44Å; V96-L101 WeakPolarHBondContact O-CB 3.29Å; V96-L101 WeakPolarHBondContact O-CG 3.37Å; V96-L101 PolarHBondContact O-N 2.93Å; L101-A103 HydrophobicContact CB-CB 4.21Å; L101-A103 PolarHBondContact O-N 3.11Å
102R97.6Very high97.6Very high208 Ų20842.5 Ų42.579%0.78519%0.19SC*.  trans5341.3-171.8-58.2179.9169.5-176.9-6.1111I97 Y100I97-R102 WeakPolarHBondContact O-CA 3.28Å; I97-R102 PolarHBondContact O-N 3.01Å; Y100-R102 VanDerWaalsContact C-N 3.33Å
103A96.1Very high97.6Very high5 Ų543.2 Ų43.24%0.04120%0.195CC..  trans-90.6141.3176.800000109.2Y21 I97 L101 P105Y21-A103 HydrophobicContact CE1-CB 4.41Å; Y21-A103 WeakPolarHBondContact OH-CB 3.45Å; I97-A103 PolarHBondContact O-N 3.25Å; L101-A103 HydrophobicContact CB-CB 4.21Å; L101-A103 PolarHBondContact O-N 3.11Å; A103-P105 WeakPolarHBondContact O-CD 3.29Å
104E97.6Very high97.5Very high100 Ų10043.2 Ų43.247%0.46720%0.195SC..  trans-77.7107.6159.7-176.257.6-126.100106.9E106 D107 H108E104-E106 PolarHBondContact O-N 2.96Å; E104-E106 VanDerWaalsContact O-N 3.13Å; E104-D107 HydrophobicContact CB-CB 4.31Å; E104-D107 PolarHBondContact O-N 2.57Å; E104-H108 PolarHBondContact O-CD2 3.23Å; E104-H108 VanDerWaalsContact O-CD2 3.28Å
105P97.5Very high97.3Very high4 Ų441.2 Ų41.23%0.02619%0.186CC..G310 helixtrans-61.5-28.4-16925.4-35.2000113.1I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.18Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4Å; A103-P105 WeakPolarHBondContact O-CD 3.29Å; P105-D107 PolarHBondContact O-N 3.24Å; P105-H108 PolarHBondContact O-N 3.12Å; P105-F110 HydrophobicContact CB-CE2 4.37Å; P105-F110 HydrophobicContact CB-CZ 4.48Å; P105-F134 HydrophobicContact CB-CB 4.2Å; P105-F134 VanDerWaalsContact CB-O 3.27Å; P105-F134 WeakPolarHBondContact CB-O 3.33Å; P105-F134 VanDerWaalsContact CG-O 3.32Å; P105-F134 WeakPolarHBondContact CG-O 3.31Å; P105-V136 HydrophobicContact CB-CG1 4.14Å; P105-P137 WeakPolarHBondContact O-CD 3.05Å
106E97.6Very high96.7Very high103 Ų10341 Ų4148%0.48119%0.187SC..G310 helixtrans-66.6-20.1176.9-57.7-165.1-17400113.6E104 N135 P137E104-E106 PolarHBondContact O-N 2.96Å; E104-E106 VanDerWaalsContact O-N 3.13Å; E106-N135 HydrophobicContact CG-CB 3.64Å; E106-N135 WeakPolarHBondContact OE1-CB 3.45Å; E106-N135 PolarHBondContact OE1-ND2 2.91Å; E106-P137 VanDerWaalsContact O-CD 3.31Å; E106-P137 WeakPolarHBondContact O-CD 3.48Å; E106-P137 VanDerWaalsContact O-CG 3.31Å; E106-P137 WeakPolarHBondContact O-CG 3.15Å
107D97.4Very high96.1Very high101 Ų10146 Ų4654%0.5421%0.213SC..G310 helixtrans-95.3-8.1-178.9-74.4-24000113.5L5 E104 P105L5-D107 HydrophobicContact CD1-CB 4.25Å; E104-D107 HydrophobicContact CB-CB 4.31Å; E104-D107 PolarHBondContact O-N 2.57Å; P105-D107 PolarHBondContact O-N 3.24Å
108H98.1Very high95.9Very high13 Ų1347 Ų476%0.0622%0.218CC..  trans-125.5135.1-169.3-71.5-99.6000113.2P6 Y21 E104 P105 F110 P137P6-H108 PolarHBondContact O-CE1 2.96Å; P6-H108 PolarHBondContact O-ND1 3.17Å; Y21-H108 AromaticContact CE1-CE1 3.57Å; Y21-H108 AromaticContact CE1-ND1 3.77Å; E104-H108 PolarHBondContact O-CD2 3.23Å; E104-H108 VanDerWaalsContact O-CD2 3.28Å; P105-H108 PolarHBondContact O-N 3.12Å; H108-F110 HydrophobicContact CB-CE2 4.04Å; H108-F110 VanDerWaalsContact O-CD2 3.28Å; H108-F110 WeakPolarHBondContact O-CD2 3.38Å; H108-F110 WeakPolarHBondContact O-CE2 3.39Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.44Å; H108-P137 WeakPolarHBondContact O-CG 3.37Å
109Y98.4Very high95.8Very high32 Ų3244.6 Ų44.613%0.12521%0.213CC..  trans-78.7150.3166.8-82.6-127.7000109.8R4 A7 C8 P137 G138 Y391 C394R4-Y109 VanDerWaalsContact NH2-CD1 3.33Å; R4-Y109 VanDerWaalsContact NH2-CG 3.28Å; R4-Y109 PolarHBondContact NH2-OH 2.81Å; A7-Y109 CarbonylContact C-O 3.51Å; A7-Y109 VanDerWaalsContact CA-O 3.24Å; A7-Y109 WeakPolarHBondContact CA-O 2.84Å; A7-Y109 WeakPolarHBondContact CB-O 3.39Å; C8-Y109 PolarHBondContact N-O 3.44Å; Y109-P137 HydrophobicContact CD2-CB 4.17Å; Y109-P137 HydrophobicContact CD2-CG 3.62Å; Y109-P137 HydrophobicContact CE2-CB 3.63Å; Y109-P137 HydrophobicContact CE2-CG 3.62Å; Y109-G138 WeakPolarHBondContact CA-O 3.24Å; Y109-Y391 AromaticContact CD1-CD1 3.92Å; Y109-Y391 HydrophobicContact CD1-CD1 3.92Å; Y109-Y391 HydrophobicContact CD1-CE1 4.46Å; Y109-Y391 HydrophobicContact CE1-CD1 4.41Å; Y109-Y391 HydrophobicContact CG-CD1 4.04Å; Y109-Y391 HydrophobicContact CG-CE1 4.14Å; Y109-C394 HydrophobicContact CD1-CB 3.7Å; Y109-C394 HydrophobicContact CE1-CB 3.75Å
110F98.7Very high95.8Very high0 Ų043.2 Ų43.20%021%0.211CC..EExtended strand (participates in β ladder)trans-118.2133.7-178.1-78.1-104.6000112.2C8 I97 P105 H108 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.47Å; C8-F110 VanDerWaalsContact CB-CD1 3.47Å; C8-F110 HydrophobicContact CB-CD2 4.32Å; C8-F110 HydrophobicContact CB-CE1 3.36Å; C8-F110 HydrophobicContact CB-CE2 4.23Å; C8-F110 HydrophobicContact CB-CG 3.98Å; C8-F110 HydrophobicContact CB-CZ 3.77Å; C8-F110 CarbonylContact O-C 3.39Å; C8-F110 WeakPolarHBondContact O-CA 3.27Å; I97-F110 HydrophobicContact CD1-CE1 4.27Å; I97-F110 HydrophobicContact CD1-CZ 4.23Å; I97-F110 HydrophobicContact CG1-CE1 4.05Å; I97-F110 HydrophobicContact CG1-CZ 4.13Å; P105-F110 HydrophobicContact CB-CE2 4.37Å; P105-F110 HydrophobicContact CB-CZ 4.48Å; H108-F110 HydrophobicContact CB-CE2 4.04Å; H108-F110 VanDerWaalsContact O-CD2 3.28Å; H108-F110 WeakPolarHBondContact O-CD2 3.38Å; H108-F110 WeakPolarHBondContact O-CE2 3.39Å; F110-M130 HydrophobicContact CB-CE 3.77Å; F110-M130 HydrophobicContact CD1-CE 3.43Å; F110-M130 VanDerWaalsContact CD1-CE 3.43Å; F110-M130 HydrophobicContact CD2-CE 3.97Å; F110-M130 HydrophobicContact CE1-CE 3.95Å; F110-M130 HydrophobicContact CE2-CE 4.43Å; F110-M130 HydrophobicContact CG-CE 3.44Å; F110-M130 VanDerWaalsContact CG-CE 3.44Å; F110-M130 HydrophobicContact CZ-CE 4.42Å; F110-V136 HydrophobicContact CD2-CB 3.93Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.28Å; F110-V136 HydrophobicContact CE2-CG1 3.49Å; F110-V136 VanDerWaalsContact CE2-CG1 3.49Å; F110-V136 HydrophobicContact CG-CG1 4.33Å; F110-V136 HydrophobicContact CZ-CG1 4.35Å; F110-G138 PolarHBondContact N-O 3.06Å; F110-L139 HydrophobicContact CB-CD1 4Å; F110-L139 WeakPolarHBondContact O-CA 3.45Å; F110-Y140 PolarHBondContact O-N 3.15Å
111L98.8Very high95.8Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-106.1114.2162.7-171.1155.1000108.4C8 V9 V10 T113 Y140 A142 L147 A385 F390C8-L111 PolarHBondContact O-N 2.99Å; V9-L111 WeakPolarHBondContact CA-O 3.05Å; V9-L111 HydrophobicContact CG1-CD2 4.14Å; V9-L111 HydrophobicContact CG2-CB 4.35Å; V10-L111 PolarHBondContact N-O 2.76Å; L111-T113 HydrophobicContact CD2-CG2 4.26Å; L111-Y140 WeakPolarHBondContact CA-O 3.48Å; L111-Y140 HydrophobicContact CD1-CD1 4.28Å; L111-Y140 HydrophobicContact CG-CD1 4.24Å; L111-A142 HydrophobicContact CD2-CB 3.97Å; L111-A142 HydrophobicContact CG-CB 4.29Å; L111-L147 HydrophobicContact CD2-CD1 4.05Å; L111-A385 HydrophobicContact CB-CB 4.46Å; L111-A385 HydrophobicContact CD1-CB 4.08Å; L111-F390 HydrophobicContact CB-CE2 4.01Å; L111-F390 HydrophobicContact CB-CZ 4.13Å; L111-F390 HydrophobicContact CD1-CD2 4.44Å; L111-F390 HydrophobicContact CD1-CE2 3.92Å; L111-F390 HydrophobicContact CG-CE2 4.34Å
112L98.6Very high95.9Very high14 Ų1445.9 Ų45.97%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-105.8158.3171.6-58.4-174.9000109.9V10 M93 T126 M130 L139 Y140 A142V10-L112 HydrophobicContact CB-CD2 3.71Å; V10-L112 HydrophobicContact CG2-CD2 4.19Å; M93-L112 HydrophobicContact CE-CD2 4.21Å; L112-T126 HydrophobicContact CD1-CG2 3.49Å; L112-T126 VanDerWaalsContact CD1-CG2 3.49Å; L112-M130 HydrophobicContact CD1-CE 4.29Å; L112-M130 HydrophobicContact CD1-CG 3.8Å; L112-M130 HydrophobicContact CD1-SD 4.01Å; L112-L139 HydrophobicContact CD1-CD1 3.92Å; L112-L139 HydrophobicContact CG-CD1 3.93Å; L112-Y140 PolarHBondContact N-O 3.48Å; L112-A142 PolarHBondContact O-N 3.28Å
113T97.4Very high95.9Very high18 Ų1837.8 Ų37.811%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-111.3148.9-179.874.10000111.6V10 D11 L111 A142 Q144 L147 V377V10-T113 PolarHBondContact O-N 2.85Å; D11-T113 WeakPolarHBondContact CA-OG1 3.19Å; D11-T113 HydrophobicContact CB-CG2 3.93Å; D11-T113 PolarHBondContact OD1-OG1 3.38Å; L111-T113 HydrophobicContact CD2-CG2 4.26Å; T113-A142 CarbonylContact C-O 3.52Å; T113-A142 VanDerWaalsContact CA-O 3.29Å; T113-A142 WeakPolarHBondContact CA-O 3.22Å; T113-Q144 PolarHBondContact OG1-NE2 2.88Å; T113-L147 HydrophobicContact CG2-CD1 3.84Å; T113-V377 HydrophobicContact CG2-CG1 3.73Å
114E95.1Very high96Very high7 Ų739.3 Ų39.33%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-131148.4173.167.5171-16900112.4N118 R123 I141 A142 V143 Q144E114-N118 HydrophobicContact CB-CB 4Å; E114-N118 HydrophobicContact CG-CB 4.39Å; E114-N118 WeakPolarHBondContact OE2-CB 3.34Å; E114-N118 PolarHBondContact OE2-ND2 2.86Å; E114-R123 IonicContact OE1-CZ 3.53Å; E114-R123 VanDerWaalsContact OE1-CZ 3.23Å; E114-R123 IonicContact OE1-NE 2.8Å; E114-R123 PolarHBondContact OE1-NE 3.18Å; E114-R123 IonicContact OE1-NH2 3.44Å; E114-R123 PolarHBondContact OE1-NH2 2.82Å; E114-R123 VanDerWaalsContact OE2-CG 3.28Å; E114-R123 WeakPolarHBondContact OE2-CG 3.4Å; E114-R123 IonicContact OE2-CZ 2.67Å; E114-R123 IonicContact OE2-NE 2.75Å; E114-R123 PolarHBondContact OE2-NE 3.4Å; E114-R123 IonicContact OE2-NH2 3.23Å; E114-R123 PolarHBondContact OE2-NH2 3.01Å; E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.84Å; E114-A142 PolarHBondContact N-O 3.46Å; E114-V143 HydrophobicContact CG-CG2 4.2Å; E114-Q144 WeakPolarHBondContact O-CG 3.45Å; E114-Q144 PolarHBondContact O-N 2.89Å
115P91.9Very high96.1Very high12 Ų1239.7 Ų39.78%0.07820%0.199CC..  trans-67.4157.6169.732.7-38.3000110.6G81 I82 L117 N118G81-P115 WeakPolarHBondContact O-CD 3.41Å; G81-P115 VanDerWaalsContact O-CG 3.32Å; G81-P115 WeakPolarHBondContact O-CG 3.49Å; I82-P115 HydrophobicContact CG1-CG 4.28Å; P115-L117 PolarHBondContact O-N 3.05Å; P115-L117 VanDerWaalsContact O-N 3.11Å; P115-N118 HydrophobicContact CG-CB 4.03Å; P115-N118 WeakPolarHBondContact O-CB 3.14Å; P115-N118 PolarHBondContact O-N 2.86Å; P115-N118 VanDerWaalsContact O-N 3.15Å
116P85.8Confident96.1Very high20 Ų2040.7 Ų40.713%0.1321%0.205CC..THydrogen-bonded Turntrans-66.3-17-17330.7-41.1000115.2V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 4.35Å; P116-I178 HydrophobicContact CB-CD1 4.3Å; P116-I178 HydrophobicContact CB-CG2 4.25Å; P116-I178 HydrophobicContact CG-CD1 3.68Å; P116-I178 HydrophobicContact CG-CG1 4.12Å; P116-V185 HydrophobicContact CB-CG1 4.22Å; P116-I190 HydrophobicContact CB-CD1 3.7Å; P116-I190 HydrophobicContact CG-CD1 4.05Å
117L85.8Confident96.1Very high105 Ų10535.8 Ų35.855%0.5518%0.182SC..THydrogen-bonded Turntrans-109.322.6178.7-65.1176.2000112.4P115 I190P115-L117 PolarHBondContact O-N 3.05Å; P115-L117 VanDerWaalsContact O-N 3.11Å; L117-I190 HydrophobicContact CD2-CD1 3.93Å; L117-I190 HydrophobicContact CG-CD1 4.13Å
118N93.4Very high96.2Very high21 Ų2135.1 Ų35.111%0.11218%0.176CC..  trans-67.8137.4175.1-163.336.8000111.1E114 P115 N122 R123E114-N118 HydrophobicContact CB-CB 4Å; E114-N118 HydrophobicContact CG-CB 4.39Å; E114-N118 WeakPolarHBondContact OE2-CB 3.34Å; E114-N118 PolarHBondContact OE2-ND2 2.86Å; P115-N118 HydrophobicContact CG-CB 4.03Å; P115-N118 WeakPolarHBondContact O-CB 3.14Å; P115-N118 PolarHBondContact O-N 2.86Å; P115-N118 VanDerWaalsContact O-N 3.15Å; N118-N122 WeakPolarHBondContact OD1-CB 3.48Å; N118-N122 PolarHBondContact OD1-ND2 3.11Å; N118-R123 PolarHBondContact O-NH2 3.46Å
119T95.2Very high96.2Very high59 Ų5935.2 Ų35.236%0.36218%0.176SC..  trans-75.2150.6-179.961.40000110.9E121 N122 R123T119-E121 WeakPolarHBondContact CB-OE2 3.47Å; T119-E121 PolarHBondContact O-N 2.93Å; T119-N122 PolarHBondContact O-N 3.03Å; T119-N122 PolarHBondContact OG1-N 3.42Å; T119-N122 PolarHBondContact OG1-ND2 3.15Å; T119-N122 PolarHBondContact OG1-OD1 2.85Å; T119-R123 PolarHBondContact O-N 3.24Å
120P96.8Very high96.2Very high45 Ų4533.8 Ų33.829%0.29217%0.171SC..Hα-helixtrans-56.4-33.3171.3-24.234.3000113R123 E124 R409P120-R123 WeakPolarHBondContact O-CB 3.32Å; P120-R123 PolarHBondContact O-N 3.29Å; P120-R123 VanDerWaalsContact O-N 3.12Å; P120-E124 PolarHBondContact O-N 3.31Å; P120-E124 VanDerWaalsContact O-N 3.13Å; P120-R409 HydrophobicContact CB-CB 4.23Å; P120-R409 HydrophobicContact CB-CG 3.87Å
121E97.9Very high96.2Very high76 Ų7633.8 Ų33.836%0.35517%0.171SC..Hα-helixtrans-64.1-40.7178-65.665-139.900111.1T119 R123 E124 Y125 R409T119-E121 WeakPolarHBondContact CB-OE2 3.47Å; T119-E121 PolarHBondContact O-N 2.93Å; E121-R123 PolarHBondContact O-N 3.02Å; E121-E124 WeakPolarHBondContact O-CB 3.34Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-E124 VanDerWaalsContact O-N 3.09Å; E121-Y125 HydrophobicContact CB-CE2 4.4Å; E121-Y125 VanDerWaalsContact O-CD2 3.32Å; E121-Y125 WeakPolarHBondContact O-CD2 3.43Å; E121-Y125 PolarHBondContact O-N 3.45Å; E121-R409 IonicContact OE1-CZ 3.3Å; E121-R409 IonicContact OE1-NH1 3.38Å; E121-R409 PolarHBondContact OE1-NH1 3.17Å; E121-R409 IonicContact OE1-NH2 3.1Å; E121-R409 PolarHBondContact OE1-NH2 3.06Å
122N98Very high96.2Very high20 Ų2039.4 Ų39.411%0.10720%0.197CC..Hα-helixtrans-63.8-30.6174-72.1-7.5000112.4W86 N118 T119 T126W86-N122 HydrophobicContact CH2-CB 4.13Å; W86-N122 VanDerWaalsContact CH2-O 3.29Å; W86-N122 WeakPolarHBondContact CH2-O 3.36Å; W86-N122 HydrophobicContact CZ2-CB 3.82Å; N118-N122 WeakPolarHBondContact OD1-CB 3.48Å; N118-N122 PolarHBondContact OD1-ND2 3.11Å; T119-N122 PolarHBondContact O-N 3.03Å; T119-N122 PolarHBondContact OG1-N 3.42Å; T119-N122 PolarHBondContact OG1-ND2 3.15Å; T119-N122 PolarHBondContact OG1-OD1 2.85Å; N122-T126 WeakPolarHBondContact O-CB 3.4Å; N122-T126 PolarHBondContact O-N 3.25Å; N122-T126 PolarHBondContact O-OG1 2.89Å
123R98.3Very high96.1Very high38 Ų3841.7 Ų41.714%0.14321%0.214CC..Hα-helixtrans-68.3-36.9173.1-60.6-176.6-171.9106.418111.6E114 N118 T119 P120 E121 T126 A127 I141 C408 R409E114-R123 IonicContact OE1-CZ 3.53Å; E114-R123 VanDerWaalsContact OE1-CZ 3.23Å; E114-R123 IonicContact OE1-NE 2.8Å; E114-R123 PolarHBondContact OE1-NE 3.18Å; E114-R123 IonicContact OE1-NH2 3.44Å; E114-R123 PolarHBondContact OE1-NH2 2.82Å; E114-R123 VanDerWaalsContact OE2-CG 3.28Å; E114-R123 WeakPolarHBondContact OE2-CG 3.4Å; E114-R123 IonicContact OE2-CZ 2.67Å; E114-R123 IonicContact OE2-NE 2.75Å; E114-R123 PolarHBondContact OE2-NE 3.4Å; E114-R123 IonicContact OE2-NH2 3.23Å; E114-R123 PolarHBondContact OE2-NH2 3.01Å; N118-R123 PolarHBondContact O-NH2 3.46Å; T119-R123 PolarHBondContact O-N 3.24Å; P120-R123 WeakPolarHBondContact O-CB 3.32Å; P120-R123 PolarHBondContact O-N 3.29Å; P120-R123 VanDerWaalsContact O-N 3.12Å; E121-R123 PolarHBondContact O-N 3.02Å; R123-T126 PolarHBondContact O-N 3.17Å; R123-A127 WeakPolarHBondContact O-CB 3.33Å; R123-A127 PolarHBondContact O-N 3.29Å; R123-I141 HydrophobicContact CB-CD1 3.93Å; R123-I141 HydrophobicContact CG-CD1 4.27Å; R123-C408 WeakPolarHBondContact CD-O 3.47Å; R123-R409 WeakPolarHBondContact CD-O 3.37Å; R123-R409 PolarHBondContact NH1-O 3.22Å
124E98.4Very high96.1Very high38 Ų3841.3 Ų41.318%0.17821%0.211CC..Hα-helixtrans-66-46.5175.2-66.2-177.7154.600111.3P120 E121 T126 A127 E128 P405 R409P120-E124 PolarHBondContact O-N 3.31Å; P120-E124 VanDerWaalsContact O-N 3.13Å; E121-E124 WeakPolarHBondContact O-CB 3.34Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-E124 VanDerWaalsContact O-N 3.09Å; E124-T126 VanDerWaalsContact C-N 3.3Å; E124-T126 PolarHBondContact O-N 3.24Å; E124-A127 WeakPolarHBondContact O-CB 3.32Å; E124-A127 PolarHBondContact O-N 3.29Å; E124-A127 VanDerWaalsContact O-N 3.08Å; E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 3.22Å; E124-P405 HydrophobicContact CB-CB 4.14Å; E124-P405 HydrophobicContact CG-CB 4.07Å; E124-R409 HydrophobicContact CG-CG 4.13Å; E124-R409 IonicContact OE1-CZ 3.63Å; E124-R409 VanDerWaalsContact OE1-CZ 3.3Å; E124-R409 IonicContact OE1-NE 3.74Å; E124-R409 PolarHBondContact OE1-NE 3.3Å; E124-R409 IonicContact OE1-NH2 2.77Å; E124-R409 PolarHBondContact OE1-NH2 3.19Å; E124-R409 VanDerWaalsContact OE1-NH2 3.1Å; E124-R409 IonicContact OE2-CZ 3.77Å; E124-R409 IonicContact OE2-NE 2.98Å; E124-R409 IonicContact OE2-NH2 3.59Å; E124-R409 PolarHBondContact OE2-NH2 3.48Å
125Y98.3Very high96.3Very high108 Ų10843.6 Ų43.642%0.42422%0.224SC..Hα-helixtrans-61.2-38.7174.7-60.5-41.2000112.5W86 E121 A127 E128 I129W86-Y125 HydrophobicContact CD2-CD2 4.46Å; W86-Y125 AromaticContact CE2-CD2 3.76Å; W86-Y125 AromaticContact CZ2-CD2 3.88Å; W86-Y125 HydrophobicContact CZ2-CD2 3.88Å; W86-Y125 HydrophobicContact CZ2-CG 4.36Å; W86-Y125 AromaticContact NE1-CD2 3.78Å; E121-Y125 HydrophobicContact CB-CE2 4.4Å; E121-Y125 VanDerWaalsContact O-CD2 3.32Å; E121-Y125 WeakPolarHBondContact O-CD2 3.43Å; E121-Y125 PolarHBondContact O-N 3.45Å; Y125-A127 VanDerWaalsContact C-N 3.33Å; Y125-A127 PolarHBondContact O-N 3.45Å; Y125-E128 PolarHBondContact O-N 2.86Å; Y125-I129 WeakPolarHBondContact O-CG1 3.33Å; Y125-I129 PolarHBondContact O-N 3.28Å; Y125-I129 VanDerWaalsContact O-N 3.15Å
126T98.4Very high96.6Very high24 Ų2443 Ų4315%0.14722%0.22CC..Hα-helixtrans-62.1-43173.3-580000111.1W86 L112 N122 R123 E124 M130 I141W86-T126 WeakPolarHBondContact CH2-OG1 3.36Å; L112-T126 HydrophobicContact CD1-CG2 3.49Å; L112-T126 VanDerWaalsContact CD1-CG2 3.49Å; N122-T126 WeakPolarHBondContact O-CB 3.4Å; N122-T126 PolarHBondContact O-N 3.25Å; N122-T126 PolarHBondContact O-OG1 2.89Å; R123-T126 PolarHBondContact O-N 3.17Å; E124-T126 VanDerWaalsContact C-N 3.3Å; E124-T126 PolarHBondContact O-N 3.24Å; T126-M130 WeakPolarHBondContact O-CG 3.24Å; T126-M130 PolarHBondContact O-N 3.04Å; T126-M130 VanDerWaalsContact O-N 3.17Å; T126-I141 HydrophobicContact CG2-CD1 3.94Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å
127A98.4Very high97.2Very high0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-68.2-40.5179.400000112.4R123 E124 Y125 M130 F131 L139 Y400 C408R123-A127 WeakPolarHBondContact O-CB 3.33Å; R123-A127 PolarHBondContact O-N 3.29Å; E124-A127 WeakPolarHBondContact O-CB 3.32Å; E124-A127 PolarHBondContact O-N 3.29Å; E124-A127 VanDerWaalsContact O-N 3.08Å; Y125-A127 VanDerWaalsContact C-N 3.33Å; Y125-A127 PolarHBondContact O-N 3.45Å; A127-M130 PolarHBondContact O-N 3.49Å; A127-F131 HydrophobicContact CB-CD2 4.12Å; A127-F131 HydrophobicContact CB-CE2 4.35Å; A127-F131 WeakPolarHBondContact O-CB 3.13Å; A127-F131 VanDerWaalsContact O-CD2 3.3Å; A127-F131 WeakPolarHBondContact O-CD2 3.39Å; A127-F131 PolarHBondContact O-N 3.29Å; A127-L139 HydrophobicContact CB-CD2 4.08Å; A127-Y400 HydrophobicContact CB-CD2 4.38Å; A127-Y400 HydrophobicContact CB-CE2 3.85Å; A127-C408 HydrophobicContact CB-CB 3.79Å; A127-C408 VanDerWaalsContact CB-SG 3.54Å
128E98.4Very high97.8Very high88 Ų8838.7 Ų38.741%0.41120%0.198SC..Hα-helixtrans-54.5-54.3174.1-175.9178.4-128.400110.9E124 Y125 M130 F131 E132 Y400E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 3.22Å; Y125-E128 PolarHBondContact O-N 2.86Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.45Å; E128-F131 PolarHBondContact O-N 3.4Å; E128-E132 HydrophobicContact CG-CG 4.31Å; E128-E132 WeakPolarHBondContact O-CA 3.41Å; E128-E132 WeakPolarHBondContact O-CB 3.48Å; E128-E132 PolarHBondContact O-N 3.45Å; E128-Y400 WeakPolarHBondContact CA-OH 3.47Å
129I98.3Very high98Very high14 Ų1437.7 Ų37.77%0.07219%0.193CC..Iπ-helixtrans-55.9-46.7176.8-69.8167.2000111.5W86 E90 Y125 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.69Å; W86-I129 HydrophobicContact CZ3-CD1 4.21Å; E90-I129 HydrophobicContact CB-CD1 4.04Å; E90-I129 HydrophobicContact CB-CG1 4.27Å; E90-I129 HydrophobicContact CB-CG2 4.33Å; E90-I129 HydrophobicContact CG-CG1 4.35Å; E90-I129 HydrophobicContact CG-CG2 4.02Å; Y125-I129 WeakPolarHBondContact O-CG1 3.33Å; Y125-I129 PolarHBondContact O-N 3.28Å; Y125-I129 VanDerWaalsContact O-N 3.15Å; I129-S133 VanDerWaalsContact O-CB 3.26Å; I129-S133 WeakPolarHBondContact O-CB 3.34Å; I129-S133 PolarHBondContact O-N 3.37Å; I129-F134 HydrophobicContact CG2-CD2 3.85Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 HydrophobicContact CG2-CZ 4.49Å; I129-F134 WeakPolarHBondContact O-CD2 3.46Å; I129-F134 PolarHBondContact O-N 3.17Å
130M98.6Very high98.2Very high2 Ų235.5 Ų35.51%0.0118%0.178CC..Iπ-helixtrans-72.5-40.7-173.8-66.6-57.3-70.900113M93 F110 L112 T126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-CE 4.37Å; M93-M130 HydrophobicContact CE-SD 4.02Å; F110-M130 HydrophobicContact CB-CE 3.77Å; F110-M130 HydrophobicContact CD1-CE 3.43Å; F110-M130 VanDerWaalsContact CD1-CE 3.43Å; F110-M130 HydrophobicContact CD2-CE 3.97Å; F110-M130 HydrophobicContact CE1-CE 3.95Å; F110-M130 HydrophobicContact CE2-CE 4.43Å; F110-M130 HydrophobicContact CG-CE 3.44Å; F110-M130 VanDerWaalsContact CG-CE 3.44Å; F110-M130 HydrophobicContact CZ-CE 4.42Å; L112-M130 HydrophobicContact CD1-CE 4.29Å; L112-M130 HydrophobicContact CD1-CG 3.8Å; L112-M130 HydrophobicContact CD1-SD 4.01Å; T126-M130 WeakPolarHBondContact O-CG 3.24Å; T126-M130 PolarHBondContact O-N 3.04Å; T126-M130 VanDerWaalsContact O-N 3.17Å; A127-M130 PolarHBondContact O-N 3.49Å; E128-M130 VanDerWaalsContact C-N 3.32Å; E128-M130 PolarHBondContact O-N 3.45Å; M130-F134 CarbonylContact O-C 3.6Å; M130-F134 WeakPolarHBondContact O-CB 3.43Å; M130-F134 HydrophobicContact SD-CD2 3.91Å; M130-F134 HydrophobicContact SD-CE2 4.48Å; M130-N135 PolarHBondContact O-N 3.21Å; M130-V136 HydrophobicContact CB-CG2 3.94Å; M130-V136 HydrophobicContact CE-CG1 3.84Å; M130-V136 WeakPolarHBondContact O-CG2 3.44Å; M130-V136 PolarHBondContact O-N 3.11Å; M130-V136 VanDerWaalsContact O-N 3.12Å; M130-L139 HydrophobicContact CB-CD1 4.37Å; M130-L139 HydrophobicContact CB-CD2 4.03Å; M130-L139 HydrophobicContact CG-CD1 4.13Å; M130-L139 HydrophobicContact CG-CD2 4.25Å
131F98.6Very high98.3Very high1 Ų133.6 Ų33.60%0.00417%0.165CC..Iπ-helixtrans-87.4-41.1-177.4-72.2-60.9000113.3A127 E128 N135 V136 L139 K397 Y400A127-F131 HydrophobicContact CB-CD2 4.12Å; A127-F131 HydrophobicContact CB-CE2 4.35Å; A127-F131 WeakPolarHBondContact O-CB 3.13Å; A127-F131 VanDerWaalsContact O-CD2 3.3Å; A127-F131 WeakPolarHBondContact O-CD2 3.39Å; A127-F131 PolarHBondContact O-N 3.29Å; E128-F131 PolarHBondContact O-N 3.4Å; F131-N135 WeakPolarHBondContact O-CA 3.4Å; F131-N135 PolarHBondContact O-N 3.06Å; F131-N135 PolarHBondContact O-OD1 3.38Å; F131-V136 HydrophobicContact CD1-CG2 3.85Å; F131-V136 WeakPolarHBondContact CD1-O 3.44Å; F131-V136 HydrophobicContact CE1-CG2 3.88Å; F131-V136 WeakPolarHBondContact CE1-O 3.4Å; F131-L139 HydrophobicContact CE1-CB 4.34Å; F131-L139 HydrophobicContact CE2-CB 3.85Å; F131-L139 HydrophobicContact CE2-CD2 4.06Å; F131-L139 HydrophobicContact CZ-CB 3.57Å; F131-K397 HydrophobicContact CD1-CB 3.83Å; F131-K397 HydrophobicContact CD1-CG 3.88Å; F131-K397 HydrophobicContact CE1-CB 3.96Å; F131-K397 WeakPolarHBondContact O-CE 3.15Å; F131-Y400 HydrophobicContact CB-CD1 3.74Å; F131-Y400 HydrophobicContact CB-CD2 4.46Å; F131-Y400 HydrophobicContact CB-CE1 3.82Å; F131-Y400 HydrophobicContact CB-CE2 4.49Å; F131-Y400 HydrophobicContact CB-CG 4.09Å; F131-Y400 HydrophobicContact CD2-CD1 4.05Å; F131-Y400 AromaticContact CD2-CD2 3.31Å; F131-Y400 HydrophobicContact CD2-CD2 3.31Å; F131-Y400 HydrophobicContact CD2-CE1 4.43Å; F131-Y400 AromaticContact CD2-CE2 3.73Å; F131-Y400 HydrophobicContact CD2-CE2 3.73Å; F131-Y400 AromaticContact CD2-CG 3.48Å; F131-Y400 HydrophobicContact CD2-CG 3.48Å; F131-Y400 VanDerWaalsContact CD2-CG 3.48Å; F131-Y400 AromaticContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CE2 4.46Å; F131-Y400 AromaticContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CG-CD1 4.01Å; F131-Y400 HydrophobicContact CG-CD2 4.11Å; F131-Y400 HydrophobicContact CG-CE1 4.44Å; F131-Y400 AromaticContact CG-CG 3.84Å; F131-Y400 HydrophobicContact CG-CG 3.84Å
132E98.3Very high98.2Very high117 Ų11730 Ų3055%0.54715%0.149SC..Iπ-helixtrans-83.9-44.1-175.6-56.3-163.7-175.400112.2E128 Y400E128-E132 HydrophobicContact CG-CG 4.31Å; E128-E132 WeakPolarHBondContact O-CA 3.41Å; E128-E132 WeakPolarHBondContact O-CB 3.48Å; E128-E132 PolarHBondContact O-N 3.45Å; E132-Y400 HydrophobicContact CG-CE1 4.14Å; E132-Y400 PolarHBondContact OE1-OH 2.8Å
133S97.3Very high98.1Very high62 Ų6230.8 Ų30.843%0.43415%0.154SC..Iπ-helixtrans-86-42.9-178.5-51.30000112.6E90 I129E90-S133 VanDerWaalsContact OE1-CB 3.23Å; E90-S133 WeakPolarHBondContact OE1-CB 3.18Å; E90-S133 PolarHBondContact OE1-OG 3.4Å; I129-S133 VanDerWaalsContact O-CB 3.26Å; I129-S133 WeakPolarHBondContact O-CB 3.34Å; I129-S133 PolarHBondContact O-N 3.37Å
134F98.1Very high98Very high10 Ų1029.7 Ų29.74%0.04415%0.151CC..SBendtrans-102.2-2.7-175.1-59.1-56.1000115M93 E94 I97 F98 P105 I129 M130 V136M93-F134 HydrophobicContact CB-CE2 3.65Å; M93-F134 HydrophobicContact CB-CZ 3.9Å; E94-F134 HydrophobicContact CB-CE1 4.4Å; E94-F134 HydrophobicContact CB-CZ 4.43Å; E94-F134 HydrophobicContact CG-CE1 3.81Å; E94-F134 HydrophobicContact CG-CZ 3.78Å; I97-F134 HydrophobicContact CD1-CB 4.23Å; I97-F134 HydrophobicContact CD1-CD1 3.86Å; I97-F134 HydrophobicContact CD1-CD2 3.78Å; I97-F134 HydrophobicContact CD1-CE1 4.16Å; I97-F134 HydrophobicContact CD1-CE2 4.07Å; I97-F134 HydrophobicContact CD1-CG 3.68Å; I97-F134 HydrophobicContact CD1-CZ 4.27Å; F98-F134 HydrophobicContact CE2-CD1 4.09Å; F98-F134 HydrophobicContact CE2-CE1 4.04Å; F98-F134 HydrophobicContact CZ-CD1 4.47Å; P105-F134 HydrophobicContact CB-CB 4.2Å; P105-F134 VanDerWaalsContact CB-O 3.27Å; P105-F134 WeakPolarHBondContact CB-O 3.33Å; P105-F134 VanDerWaalsContact CG-O 3.32Å; P105-F134 WeakPolarHBondContact CG-O 3.31Å; I129-F134 HydrophobicContact CG2-CD2 3.85Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 HydrophobicContact CG2-CZ 4.49Å; I129-F134 WeakPolarHBondContact O-CD2 3.46Å; I129-F134 PolarHBondContact O-N 3.17Å; M130-F134 CarbonylContact O-C 3.6Å; M130-F134 WeakPolarHBondContact O-CB 3.43Å; M130-F134 HydrophobicContact SD-CD2 3.91Å; M130-F134 HydrophobicContact SD-CE2 4.48Å; F134-V136 HydrophobicContact CB-CG1 4.1Å; F134-V136 PolarHBondContact O-N 3.34Å; F134-V136 VanDerWaalsContact O-N 3.11Å
135N98.3Very high97.8Very high56 Ų5628 Ų2830%0.29914%0.143SC..  trans54.528.7176.5-70.1-27.6000115.2E106 M130 F131 K397E106-N135 HydrophobicContact CG-CB 3.64Å; E106-N135 WeakPolarHBondContact OE1-CB 3.45Å; E106-N135 PolarHBondContact OE1-ND2 2.91Å; M130-N135 PolarHBondContact O-N 3.21Å; F131-N135 WeakPolarHBondContact O-CA 3.4Å; F131-N135 PolarHBondContact O-N 3.06Å; F131-N135 PolarHBondContact O-OD1 3.38Å; N135-K397 PolarHBondContact OD1-NZ 2.99Å
136V98.4Very high97.7Very high0 Ų023.3 Ų23.30%013%0.126CC..  trans-62.7139.9-175.2-55.60000111.4P105 F110 M130 F131 F134 G138 K397P105-V136 HydrophobicContact CB-CG1 4.14Å; F110-V136 HydrophobicContact CD2-CB 3.93Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.28Å; F110-V136 HydrophobicContact CE2-CG1 3.49Å; F110-V136 VanDerWaalsContact CE2-CG1 3.49Å; F110-V136 HydrophobicContact CG-CG1 4.33Å; F110-V136 HydrophobicContact CZ-CG1 4.35Å; M130-V136 HydrophobicContact CB-CG2 3.94Å; M130-V136 HydrophobicContact CE-CG1 3.84Å; M130-V136 WeakPolarHBondContact O-CG2 3.44Å; M130-V136 PolarHBondContact O-N 3.11Å; M130-V136 VanDerWaalsContact O-N 3.12Å; F131-V136 HydrophobicContact CD1-CG2 3.85Å; F131-V136 WeakPolarHBondContact CD1-O 3.44Å; F131-V136 HydrophobicContact CE1-CG2 3.88Å; F131-V136 WeakPolarHBondContact CE1-O 3.4Å; F134-V136 HydrophobicContact CB-CG1 4.1Å; F134-V136 PolarHBondContact O-N 3.34Å; F134-V136 VanDerWaalsContact O-N 3.11Å; V136-G138 VanDerWaalsContact C-N 3.28Å; V136-G138 PolarHBondContact O-N 3.31Å; V136-K397 WeakPolarHBondContact O-CB 3.42Å
137P98Very high97.7Very high33 Ų3322.3 Ų22.321%0.21412%0.119CC..SBendtrans-72-22.4-178.229-38.4000113P105 E106 H108 Y109 T396 K397P105-P137 WeakPolarHBondContact O-CD 3.05Å; E106-P137 VanDerWaalsContact O-CD 3.31Å; E106-P137 WeakPolarHBondContact O-CD 3.48Å; E106-P137 VanDerWaalsContact O-CG 3.31Å; E106-P137 WeakPolarHBondContact O-CG 3.15Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.44Å; H108-P137 WeakPolarHBondContact O-CG 3.37Å; Y109-P137 HydrophobicContact CD2-CB 4.17Å; Y109-P137 HydrophobicContact CD2-CG 3.62Å; Y109-P137 HydrophobicContact CE2-CB 3.63Å; Y109-P137 HydrophobicContact CE2-CG 3.62Å; P137-T396 WeakPolarHBondContact O-CA 3.44Å; P137-K397 PolarHBondContact O-N 3.44Å
138G98.1Very high97.6Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-167.6153.2171.700000114.6Y109 F110 V136 H395Y109-G138 WeakPolarHBondContact CA-O 3.24Å; F110-G138 PolarHBondContact N-O 3.06Å; V136-G138 VanDerWaalsContact C-N 3.28Å; V136-G138 PolarHBondContact O-N 3.31Å; G138-H395 CarbonylContact C-O 3.56Å; G138-H395 WeakPolarHBondContact CA-O 3.29Å
139L98.7Very high97.5Very high0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-134.4141.7-171.5-178.665.5000110.8F110 L112 A127 M130 F131 I141 H395F110-L139 HydrophobicContact CB-CD1 4Å; F110-L139 WeakPolarHBondContact O-CA 3.45Å; L112-L139 HydrophobicContact CD1-CD1 3.92Å; L112-L139 HydrophobicContact CG-CD1 3.93Å; A127-L139 HydrophobicContact CB-CD2 4.08Å; M130-L139 HydrophobicContact CB-CD1 4.37Å; M130-L139 HydrophobicContact CB-CD2 4.03Å; M130-L139 HydrophobicContact CG-CD1 4.13Å; M130-L139 HydrophobicContact CG-CD2 4.25Å; F131-L139 HydrophobicContact CE1-CB 4.34Å; F131-L139 HydrophobicContact CE2-CB 3.85Å; F131-L139 HydrophobicContact CE2-CD2 4.06Å; F131-L139 HydrophobicContact CZ-CB 3.57Å; L139-I141 HydrophobicContact CD2-CD1 4.3Å; L139-I141 HydrophobicContact CD2-CG1 4.26Å; L139-I141 HydrophobicContact CG-CG1 4.27Å; L139-H395 PolarHBondContact N-O 3.48Å; L139-H395 PolarHBondContact O-N 3.44Å
140Y98.6Very high97.3Very high13 Ų1317.5 Ų17.55%0.05110%0.096CC..EExtended strand (participates in β ladder)trans-134.6127.4167.5-175.2-89.7000109.9F110 L111 L112 A142 F390 V393 N411 P412 F414F110-Y140 PolarHBondContact O-N 3.15Å; L111-Y140 WeakPolarHBondContact CA-O 3.48Å; L111-Y140 HydrophobicContact CD1-CD1 4.28Å; L111-Y140 HydrophobicContact CG-CD1 4.24Å; L112-Y140 PolarHBondContact N-O 3.48Å; Y140-A142 HydrophobicContact CD1-CB 3.91Å; Y140-A142 HydrophobicContact CE1-CB 3.6Å; Y140-F390 HydrophobicContact CG-CE2 4.24Å; Y140-V393 HydrophobicContact CD2-CG2 3.98Å; Y140-V393 HydrophobicContact CE2-CB 4.45Å; Y140-V393 HydrophobicContact CE2-CG2 3.87Å; Y140-N411 HydrophobicContact CD2-CB 4.16Å; Y140-N411 HydrophobicContact CE2-CB 3.77Å; Y140-P412 WeakPolarHBondContact CE2-O 3.26Å; Y140-P412 PolarHBondContact OH-O 2.91Å; Y140-F414 HydrophobicContact CE1-CE1 4.19Å; Y140-F414 HydrophobicContact CE2-CD1 4.37Å; Y140-F414 HydrophobicContact CE2-CE1 4.09Å; Y140-F414 AromaticContact CZ-CE1 3.83Å
141I98.4Very high97.1Very high5 Ų517.4 Ų17.43%0.02610%0.096CC..EExtended strand (participates in β ladder)trans-104.3110.1177.2-55.1172.8000108.3E114 R123 T126 L139 N411E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.84Å; R123-I141 HydrophobicContact CB-CD1 3.93Å; R123-I141 HydrophobicContact CG-CD1 4.27Å; T126-I141 HydrophobicContact CG2-CD1 3.94Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å; L139-I141 HydrophobicContact CD2-CD1 4.3Å; L139-I141 HydrophobicContact CD2-CG1 4.26Å; L139-I141 HydrophobicContact CG-CG1 4.27Å; I141-N411 PolarHBondContact N-OD1 2.72Å; I141-N411 VanDerWaalsContact N-OD1 3.16Å; I141-N411 VanDerWaalsContact O-CB 3.27Å; I141-N411 WeakPolarHBondContact O-CB 3.07Å; I141-N411 VanDerWaalsContact O-CG 3.28Å; I141-N411 PolarHBondContact O-ND2 2.62Å
142A97.1Very high96.9Very high2 Ų217.4 Ų17.42%0.01710%0.096CC..EExtended strand (participates in β ladder)trans-98.7134.1-173.300000112.2L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD2-CB 3.97Å; L111-A142 HydrophobicContact CG-CB 4.29Å; L112-A142 PolarHBondContact O-N 3.28Å; T113-A142 CarbonylContact C-O 3.52Å; T113-A142 VanDerWaalsContact CA-O 3.29Å; T113-A142 WeakPolarHBondContact CA-O 3.22Å; E114-A142 PolarHBondContact N-O 3.46Å; Y140-A142 HydrophobicContact CD1-CB 3.91Å; Y140-A142 HydrophobicContact CE1-CB 3.6Å; A142-Q144 PolarHBondContact O-N 2.78Å; A142-L147 HydrophobicContact CB-CD1 3.65Å; A142-L147 HydrophobicContact CB-CD2 3.92Å; A142-L147 HydrophobicContact CB-CG 3.88Å
143V95.3Very high96.6Very high35 Ų3513.2 Ų13.221%0.2128%0.076CC..EExtended strand (participates in β ladder)trans-71.8125.2172.1-176.10000110.1E114 P116 A145 V146 L147 V185E114-V143 HydrophobicContact CG-CG2 4.2Å; P116-V143 HydrophobicContact CB-CG1 4.35Å; V143-A145 VanDerWaalsContact C-N 3.28Å; V143-A145 PolarHBondContact O-N 2.82Å; V143-A145 VanDerWaalsContact O-N 3.16Å; V143-V146 HydrophobicContact CB-CG2 4.14Å; V143-V146 PolarHBondContact O-N 2.8Å; V143-L147 PolarHBondContact O-N 2.66Å; V143-V185 HydrophobicContact CG1-CG2 3.81Å
144Q95.2Very high96.2Very high16 Ų1613.5 Ų13.58%0.0757%0.074CC..Hα-helixtrans-52.6-41.6-173.7-72.3165-7.800113.6T113 E114 A142 V146 L147 A148 V377T113-Q144 PolarHBondContact OG1-NE2 2.88Å; E114-Q144 WeakPolarHBondContact O-CG 3.45Å; E114-Q144 PolarHBondContact O-N 2.89Å; A142-Q144 PolarHBondContact O-N 2.78Å; Q144-V146 VanDerWaalsContact C-N 3.33Å; Q144-V146 PolarHBondContact O-N 3.26Å; Q144-L147 PolarHBondContact O-N 2.79Å; Q144-A148 PolarHBondContact O-N 2.94Å; Q144-V377 HydrophobicContact CB-CG1 4.08Å; Q144-V377 HydrophobicContact CB-CG2 4.04Å; Q144-V377 HydrophobicContact CG-CG1 3.84Å; Q144-V377 HydrophobicContact CG-CG2 4.44Å
145A95.9Very high95.6Very high1 Ų113.7 Ų13.71%0.0088%0.077CC..Hα-helixtrans-61.6-39.218000000113V143 L147 A148 L149 V167 I178 V180 V185V143-A145 VanDerWaalsContact C-N 3.28Å; V143-A145 PolarHBondContact O-N 2.82Å; V143-A145 VanDerWaalsContact O-N 3.16Å; A145-L147 VanDerWaalsContact C-N 3.34Å; A145-A148 PolarHBondContact O-N 3.41Å; A145-L149 PolarHBondContact O-N 3.29Å; A145-L149 VanDerWaalsContact O-N 3.08Å; A145-V167 HydrophobicContact CB-CB 4.15Å; A145-V167 HydrophobicContact CB-CG1 4.38Å; A145-V167 HydrophobicContact CB-CG2 4.09Å; A145-V167 WeakPolarHBondContact O-CG2 3.36Å; A145-I178 HydrophobicContact CB-CB 4.12Å; A145-I178 HydrophobicContact CB-CD1 3.85Å; A145-I178 HydrophobicContact CB-CG2 3.71Å; A145-V180 HydrophobicContact CB-CG2 4.06Å; A145-V185 HydrophobicContact CB-CG2 4.49Å
146V96.1Very high94.8Very high11 Ų1123 Ų237%0.06711%0.108CC..Hα-helixtrans-67.4-40.4-179.7-177.70000110V143 Q144 L149 A150 L163 V180 G183 V185 V413V143-V146 HydrophobicContact CB-CG2 4.14Å; V143-V146 PolarHBondContact O-N 2.8Å; Q144-V146 VanDerWaalsContact C-N 3.33Å; Q144-V146 PolarHBondContact O-N 3.26Å; V146-L149 PolarHBondContact O-N 3.43Å; V146-A150 PolarHBondContact O-N 2.83Å; V146-L163 HydrophobicContact CG1-CD1 4.11Å; V146-L163 HydrophobicContact CG1-CD2 3.93Å; V146-V180 HydrophobicContact CG2-CG1 4.31Å; V146-G183 VanDerWaalsContact CG2-O 3.22Å; V146-G183 WeakPolarHBondContact CG2-O 3.24Å; V146-V185 HydrophobicContact CG2-CG2 4.48Å; V146-V413 HydrophobicContact CG1-CG1 4.19Å
147L97Very high93.9Very high2 Ų227.5 Ų27.51%0.0113%0.129CC..Hα-helixtrans-65-38.9175.2-60.2-174.7000112.3L111 T113 A142 V143 Q144 A145 L149 A150 A151 V377 L384L111-L147 HydrophobicContact CD2-CD1 4.05Å; T113-L147 HydrophobicContact CG2-CD1 3.84Å; A142-L147 HydrophobicContact CB-CD1 3.65Å; A142-L147 HydrophobicContact CB-CD2 3.92Å; A142-L147 HydrophobicContact CB-CG 3.88Å; V143-L147 PolarHBondContact O-N 2.66Å; Q144-L147 PolarHBondContact O-N 2.79Å; A145-L147 VanDerWaalsContact C-N 3.34Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.84Å; L147-A150 PolarHBondContact O-N 3.45Å; L147-A151 PolarHBondContact O-N 3.37Å; L147-V377 HydrophobicContact CB-CG1 4.26Å; L147-V377 WeakPolarHBondContact CB-O 3.41Å; L147-V377 HydrophobicContact CD1-CG1 3.85Å; L147-V377 WeakPolarHBondContact CD1-O 3.49Å; L147-L384 HydrophobicContact CD2-CD1 3.64Å
148A96.9Very high92.9Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-61.7-40174.700000112.3Q144 A145 A151 S152 V167 A376Q144-A148 PolarHBondContact O-N 2.94Å; A145-A148 PolarHBondContact O-N 3.41Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.22Å; A148-S152 PolarHBondContact O-N 3.29Å; A148-V167 HydrophobicContact CB-CG1 3.85Å; A148-A376 HydrophobicContact CB-CB 4.44Å
149L96.1Very high91.6Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-62.8-44.2172.8-69.5174.7000111.6A145 V146 L147 A151 S152 W153 L163 V167 V180 V320A145-L149 PolarHBondContact O-N 3.29Å; A145-L149 VanDerWaalsContact O-N 3.08Å; V146-L149 PolarHBondContact O-N 3.43Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.84Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 2.98Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.41Å; L149-S152 VanDerWaalsContact O-N 3.07Å; L149-S152 PolarHBondContact O-OG 3.23Å; L149-W153 PolarHBondContact O-NE1 2.95Å; L149-L163 HydrophobicContact CB-CD2 3.91Å; L149-V167 HydrophobicContact CD1-CG2 4.2Å; L149-V167 HydrophobicContact CD2-CG2 3.73Å; L149-V167 HydrophobicContact CG-CG2 3.61Å; L149-V180 HydrophobicContact CD1-CB 3.63Å; L149-V180 HydrophobicContact CD1-CG1 3.88Å; L149-V180 HydrophobicContact CD1-CG2 3.8Å; L149-V320 HydrophobicContact CD2-CB 3.98Å; L149-V320 HydrophobicContact CD2-CG2 3.59Å
150A94.9Very high90.7Very high1 Ų138.6 Ų38.61%0.00820%0.204CC..Hα-helixtrans-60.2-40.3176.900000112V146 L147 S152 W153 L384V146-A150 PolarHBondContact O-N 2.83Å; L147-A150 PolarHBondContact O-N 3.45Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 2.92Å; A150-W153 HydrophobicContact CB-CD2 4.46Å; A150-W153 HydrophobicContact CB-CE3 4.24Å; A150-W153 HydrophobicContact CB-CH2 4.12Å; A150-W153 HydrophobicContact CB-CZ2 4.31Å; A150-W153 HydrophobicContact CB-CZ3 4.07Å; A150-W153 WeakPolarHBondContact O-CB 3.25Å; A150-W153 VanDerWaalsContact O-CG 3.28Å; A150-W153 PolarHBondContact O-N 3.47Å; A150-L384 HydrophobicContact CB-CD1 4.24Å; A150-L384 HydrophobicContact CB-CG 4.36Å
151A94.9Very high90.2Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-61.5-34174.700000113.2L147 A148 L149 W153 T154 A376 F379L147-A151 PolarHBondContact O-N 3.37Å; A148-A151 WeakPolarHBondContact O-CB 3.48Å; A148-A151 PolarHBondContact O-N 3.22Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 2.98Å; A151-W153 PolarHBondContact O-N 3.24Å; A151-T154 PolarHBondContact O-N 3.34Å; A151-T154 PolarHBondContact O-OG1 3.39Å; A151-A376 HydrophobicContact CB-CB 3.99Å; A151-A376 VanDerWaalsContact CB-O 3.25Å; A151-A376 WeakPolarHBondContact CB-O 3.33Å; A151-F379 HydrophobicContact CB-CD1 3.78Å; A151-F379 HydrophobicContact CB-CE1 4.5Å
152S93.8Very high89.9Confident1 Ų147.5 Ų47.51%0.00724%0.241CC..Hα-helixtrans-66.2-18.7179.982.20000113.8A148 L149 A150 T154 S155A148-S152 PolarHBondContact O-N 3.29Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.41Å; L149-S152 VanDerWaalsContact O-N 3.07Å; L149-S152 PolarHBondContact O-OG 3.23Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 2.92Å; S152-T154 PolarHBondContact O-N 3.07Å; S152-T154 VanDerWaalsContact O-N 3.08Å; S152-S155 WeakPolarHBondContact O-CB 3.41Å; S152-S155 PolarHBondContact O-N 3.04Å
153W91.7Very high89.8Confident30 Ų3047.8 Ų47.811%0.11424%0.243CC..THydrogen-bonded Turntrans-61.8-17176.2-58.7-16.8000113.6L149 A150 A151 S155 R161 T162 L163 L384 G415 V416L149-W153 PolarHBondContact O-NE1 2.95Å; A150-W153 HydrophobicContact CB-CD2 4.46Å; A150-W153 HydrophobicContact CB-CE3 4.24Å; A150-W153 HydrophobicContact CB-CH2 4.12Å; A150-W153 HydrophobicContact CB-CZ2 4.31Å; A150-W153 HydrophobicContact CB-CZ3 4.07Å; A150-W153 WeakPolarHBondContact O-CB 3.25Å; A150-W153 VanDerWaalsContact O-CG 3.28Å; A150-W153 PolarHBondContact O-N 3.47Å; A151-W153 PolarHBondContact O-N 3.24Å; W153-S155 VanDerWaalsContact C-N 3.27Å; W153-R161 HydrophobicContact CB-CG 4.13Å; W153-R161 HydrophobicContact CD2-CB 4.01Å; W153-R161 HydrophobicContact CD2-CG 3.94Å; W153-R161 HydrophobicContact CE3-CG 4.37Å; W153-R161 HydrophobicContact CG-CB 4.15Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.4Å; W153-T162 PolarHBondContact NE1-O 3Å; W153-L163 HydrophobicContact CH2-CD2 4.24Å; W153-L163 HydrophobicContact CH2-CG 4.5Å; W153-L163 HydrophobicContact CZ2-CD2 3.58Å; W153-L163 HydrophobicContact CZ2-CG 3.86Å; W153-L384 HydrophobicContact CZ3-CD2 4.37Å; W153-G415 WeakPolarHBondContact CH2-O 3.29Å; W153-V416 HydrophobicContact CH2-CG2 3.91Å; W153-V416 HydrophobicContact CZ2-CG2 3.69Å
154T87.8Confident89.8Confident67 Ų6747 Ų4741%0.41124%0.238SC..THydrogen-bonded Turntrans-76.4-14.9172.759.80000113.5A151 S152 F379 M383A151-T154 PolarHBondContact O-N 3.34Å; A151-T154 PolarHBondContact O-OG1 3.39Å; S152-T154 PolarHBondContact O-N 3.07Å; S152-T154 VanDerWaalsContact O-N 3.08Å; T154-F379 HydrophobicContact CG2-CE1 3.47Å; T154-F379 VanDerWaalsContact CG2-CE1 3.47Å; T154-F379 HydrophobicContact CG2-CZ 3.71Å; T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.03Å
155S87.3Confident89.9Confident14 Ų1446.2 Ų46.210%0.09824%0.235CC..SBendtrans-72133.5179.3-171.10000111.1S152 W153 Q157 V158 T369S152-S155 WeakPolarHBondContact O-CB 3.41Å; S152-S155 PolarHBondContact O-N 3.04Å; W153-S155 VanDerWaalsContact C-N 3.27Å; S155-Q157 PolarHBondContact O-N 2.64Å; S155-Q157 VanDerWaalsContact O-N 3.11Å; S155-Q157 PolarHBondContact OG-N 2.99Å; S155-V158 PolarHBondContact O-N 3.47Å; S155-V158 VanDerWaalsContact O-N 3.12Å; S155-T369 PolarHBondContact OG-O 3.26Å
156R80.9Confident90.1Very high253 Ų25346.2 Ų46.296%0.95523%0.234SC*.THydrogen-bonded Turntrans-64.1-15.6174.1-62.2-177.7-177.7-179.40.5113.3V158R156-V158 VanDerWaalsContact C-N 3.26Å
157Q79.1Confident90.2Very high93 Ų9345.7 Ų45.744%0.43523%0.231SC..THydrogen-bonded Turntrans-77.6-15.1178.9-60176.514.200112.4S155 Q366S155-Q157 PolarHBondContact O-N 2.64Å; S155-Q157 VanDerWaalsContact O-N 3.11Å; S155-Q157 PolarHBondContact OG-N 2.99Å; Q157-Q366 PolarHBondContact O-NE2 3.24Å
158V77.4Confident90.2Very high32 Ų3245.6 Ų45.619%0.19423%0.23CC..  trans-101.9111.8-176.8-179.40000108.5S155 R156 E160 V368S155-V158 PolarHBondContact O-N 3.47Å; S155-V158 VanDerWaalsContact O-N 3.12Å; R156-V158 VanDerWaalsContact C-N 3.26Å; V158-E160 WeakPolarHBondContact CG1-O 3.16Å; V158-V368 HydrophobicContact CG2-CG1 4.14Å; V158-V368 HydrophobicContact CG2-CG2 4.3Å
159G70.6Confident90.2Very high89 Ų8946.6 Ų46.692%0.91824%0.236SC*.SBendtrans-88.1-15.8175.700000114
160E79.9Confident90.2Very high145 Ų14546.6 Ų46.668%0.67824%0.236SC*.SBendtrans-134.4125.5-173.8-174.8176.4-175.200109.5V158 T162V158-E160 WeakPolarHBondContact CG1-O 3.16Å; E160-T162 PolarHBondContact O-N 3.29Å
161R88.2Confident90Very high166 Ų16647.9 Ų47.963%0.62625%0.249SC*.  trans-73114174.1-65.9-174.8-177.4175.71.1108.4W153W153-R161 HydrophobicContact CB-CG 4.13Å; W153-R161 HydrophobicContact CD2-CB 4.01Å; W153-R161 HydrophobicContact CD2-CG 3.94Å; W153-R161 HydrophobicContact CE3-CG 4.37Å; W153-R161 HydrophobicContact CG-CB 4.15Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.4Å
162T92.5Very high89.7Confident39 Ų3949.9 Ų49.924%0.23926%0.26CS..  trans-136147.4179.1-175.30000110.3W153 E160 T164W153-T162 PolarHBondContact NE1-O 3Å; E160-T162 PolarHBondContact O-N 3.29Å; T162-T164 PolarHBondContact OG1-N 2.86Å
163L94.1Very high89.4Confident8 Ų850.6 Ų50.64%0.04227%0.267CS..SBendtrans-103.523.9167.1-65.2173.2000111.4V146 L149 W153 V180 G183 V413 V416V146-L163 HydrophobicContact CG1-CD1 4.11Å; V146-L163 HydrophobicContact CG1-CD2 3.93Å; L149-L163 HydrophobicContact CB-CD2 3.91Å; W153-L163 HydrophobicContact CH2-CD2 4.24Å; W153-L163 HydrophobicContact CH2-CG 4.5Å; W153-L163 HydrophobicContact CZ2-CD2 3.58Å; W153-L163 HydrophobicContact CZ2-CG 3.86Å; L163-V180 VanDerWaalsContact O-CG1 3.28Å; L163-V180 WeakPolarHBondContact O-CG1 3.45Å; L163-G183 PolarHBondContact O-N 2.8Å; L163-V413 HydrophobicContact CD1-CG1 3.45Å; L163-V413 VanDerWaalsContact CD1-CG1 3.45Å; L163-V416 HydrophobicContact CB-CG2 4.28Å; L163-V416 HydrophobicContact CD1-CG2 3.54Å; L163-V416 HydrophobicContact CG-CG2 3.47Å; L163-V416 VanDerWaalsContact CG-CG2 3.47Å
164T96.3Very high89.2Confident19 Ų1950.2 Ų50.212%0.11727%0.268CS..  trans-107.1120.1169.3-600000109.1T162 V180 E182 P314 N318T162-T164 PolarHBondContact OG1-N 2.86Å; T164-V180 CarbonylContact C-O 3.51Å; T164-V180 VanDerWaalsContact CA-O 3.31Å; T164-V180 WeakPolarHBondContact CA-O 3.5Å; T164-E182 PolarHBondContact OG1-N 3.4Å; T164-P314 HydrophobicContact CG2-CB 3.6Å; T164-N318 PolarHBondContact O-ND2 2.7Å
165G97.4Very high89.6Confident0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans175.3169.3-177.200000113V180 L315 N318G165-V180 PolarHBondContact N-O 3.08Å; G165-V180 PolarHBondContact O-N 3.4Å; G165-L315 VanDerWaalsContact O-CD2 3.24Å; G165-L315 WeakPolarHBondContact O-CD2 3.49Å; G165-N318 CarbonylContact C-O 3.54Å; G165-N318 WeakPolarHBondContact CA-O 3.46Å
166T98.6Very high90Very high0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-102118.9173.7-490000108.7V177 V300 I304 L315 N318 V319 V320T166-V177 HydrophobicContact CG2-CG1 3.76Å; T166-V300 HydrophobicContact CG2-CG1 4.48Å; T166-I304 HydrophobicContact CG2-CG1 4.43Å; T166-L315 PolarHBondContact OG1-O 3Å; T166-L315 VanDerWaalsContact OG1-O 3.07Å; T166-N318 PolarHBondContact N-O 3.31Å; T166-V319 CarbonylContact O-C 3.6Å; T166-V319 VanDerWaalsContact O-CA 3.25Å; T166-V319 WeakPolarHBondContact O-CA 3.49Å; T166-V320 PolarHBondContact O-N 2.96Å
167V98.4Very high90.8Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-96.3130.1178.2-178.40000109.7A145 A148 L149 D169 V177 I178 V180 V320A145-V167 HydrophobicContact CB-CB 4.15Å; A145-V167 HydrophobicContact CB-CG1 4.38Å; A145-V167 HydrophobicContact CB-CG2 4.09Å; A145-V167 WeakPolarHBondContact O-CG2 3.36Å; A148-V167 HydrophobicContact CB-CG1 3.85Å; L149-V167 HydrophobicContact CD1-CG2 4.2Å; L149-V167 HydrophobicContact CD2-CG2 3.73Å; L149-V167 HydrophobicContact CG-CG2 3.61Å; V167-D169 HydrophobicContact CG1-CB 4.41Å; V167-V177 WeakPolarHBondContact O-CA 3.33Å; V167-I178 HydrophobicContact CB-CB 4.37Å; V167-I178 PolarHBondContact N-O 3.04Å; V167-I178 PolarHBondContact O-N 3.3Å; V167-V180 HydrophobicContact CG2-CG2 4.31Å; V167-V320 WeakPolarHBondContact CA-O 3.49Å
168I98.3Very high91.7Very high0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-106.9101168.7-59.3174.9000106.9T175 H176 I296 V300 V319 V320 L321 S322 L335I168-T175 HydrophobicContact CG2-CG2 4.17Å; I168-H176 WeakPolarHBondContact CA-O 3.48Å; I168-I296 HydrophobicContact CG2-CD1 3.89Å; I168-V300 HydrophobicContact CD1-CG2 3.6Å; I168-V300 HydrophobicContact CG1-CG2 4.15Å; I168-V319 HydrophobicContact CD1-CG1 3.75Å; I168-V319 HydrophobicContact CG1-CG1 4.21Å; I168-V320 PolarHBondContact N-O 2.92Å; I168-L321 HydrophobicContact CB-CD2 3.95Å; I168-L321 HydrophobicContact CD1-CD2 4.01Å; I168-L321 HydrophobicContact CG1-CD2 4.46Å; I168-L321 HydrophobicContact CG2-CD2 4.42Å; I168-S322 PolarHBondContact O-N 2.7Å; I168-L335 HydrophobicContact CD1-CD2 3.23Å; I168-L335 HydrophobicContact CD1-CG 4.48Å
169D95.8Very high92.7Very high22 Ų2229.4 Ų29.412%0.11817%0.173CC..EExtended strand (participates in β ladder)trans-99.7110.3177.5-173.143000109.7V167 T175 H176 S322V167-D169 HydrophobicContact CG1-CB 4.41Å; D169-T175 CarbonylContact O-C 3.55Å; D169-T175 VanDerWaalsContact O-CA 3.3Å; D169-T175 WeakPolarHBondContact O-CA 3.34Å; D169-H176 PolarHBondContact N-O 3.42Å; D169-H176 PolarHBondContact O-N 2.89Å; D169-S322 WeakPolarHBondContact CA-O 3.31Å; D169-S322 WeakPolarHBondContact OD1-CB 3.24Å; D169-S322 PolarHBondContact OD1-OG 3.13Å
170S95.9Very high94Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-122101.5-178.8-1670000110.5T175 F282 S322 G323 G324 S325S170-T175 WeakPolarHBondContact CB-OG1 3.39Å; S170-T175 PolarHBondContact OG-OG1 3.39Å; S170-F282 VanDerWaalsContact OG-CZ 3.3Å; S170-F282 WeakPolarHBondContact OG-CZ 3.26Å; S170-S322 PolarHBondContact N-O 3.38Å; S170-G323 CarbonylContact O-C 3.56Å; S170-G323 VanDerWaalsContact O-C 3.23Å; S170-G323 WeakPolarHBondContact O-CA 3.04Å; S170-G324 PolarHBondContact O-N 3.28Å; S170-S325 WeakPolarHBondContact O-CB 3.46Å; S170-S325 PolarHBondContact O-N 3.02Å; S170-S325 WeakPolarHBondContact OG-CB 3.5Å
171G91.4Very high94.7Very high27 Ų2719.1 Ų19.128%0.27811%0.105SC..  trans-98-148177.400000113.2V174 G197 S325G171-V174 PolarHBondContact N-O 3.37Å; G171-G197 PolarHBondContact O-N 3.04Å; G171-S325 PolarHBondContact O-OG 3.16Å
172D89.2Confident95Very high42 Ų4219 Ų1923%0.22511%0.111CC..SBendtrans-82.1-35176.9-168.560.9000112.8A196 G197 R198D172-A196 VanDerWaalsContact O-CB 3.31Å; D172-A196 WeakPolarHBondContact O-CB 3.28Å; D172-G197 PolarHBondContact O-N 3.3Å; D172-R198 WeakPolarHBondContact O-CB 3.45Å; D172-R198 PolarHBondContact O-N 3Å; D172-R198 IonicContact OD2-CZ 2.65Å; D172-R198 IonicContact OD2-NE 2.77Å; D172-R198 PolarHBondContact OD2-NE 3.37Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.32Å
173G86.8Confident94.9Very high16 Ų1617.2 Ų17.217%0.16510%0.101CC..SBendtrans-101.3-35.6-168.900000116.3
174V88.4Confident94.8Very high22 Ų2223.1 Ų23.113%0.13312%0.124CC..  trans-153.5155.5-177.458.50000109.4G171 H176 H192 A196G171-V174 PolarHBondContact N-O 3.37Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.41Å; V174-H192 HydrophobicContact CG2-CB 4.15Å; V174-A196 VanDerWaalsContact N-CB 3.31Å
175T94.7Very high94.8Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-110.8129.5168.8-61.70000109.8I168 D169 S170 H192 I193 I195 F282 I296I168-T175 HydrophobicContact CG2-CG2 4.17Å; D169-T175 CarbonylContact O-C 3.55Å; D169-T175 VanDerWaalsContact O-CA 3.3Å; D169-T175 WeakPolarHBondContact O-CA 3.34Å; S170-T175 WeakPolarHBondContact CB-OG1 3.39Å; S170-T175 PolarHBondContact OG-OG1 3.39Å; T175-H192 CarbonylContact O-C 3.45Å; T175-H192 WeakPolarHBondContact O-CA 3.39Å; T175-I193 HydrophobicContact CG2-CB 4.49Å; T175-I193 HydrophobicContact CG2-CD1 4.32Å; T175-I193 PolarHBondContact N-O 3.28Å; T175-I193 PolarHBondContact O-N 3.18Å; T175-I195 VanDerWaalsContact CB-O 3.3Å; T175-I195 WeakPolarHBondContact CB-O 3.2Å; T175-I195 PolarHBondContact OG1-O 3.08Å; T175-F282 HydrophobicContact CG2-CE1 4.38Å; T175-I296 HydrophobicContact CG2-CD1 4.38Å
176H95.4Very high94.7Very high22 Ų2225.4 Ų25.410%0.10214%0.136CC..EExtended strand (participates in β ladder)trans-112.6141.9177.7-61.3108.3000111.1I168 D169 V174 I178I168-H176 WeakPolarHBondContact CA-O 3.48Å; D169-H176 PolarHBondContact N-O 3.42Å; D169-H176 PolarHBondContact O-N 2.89Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.41Å; H176-I178 HydrophobicContact CB-CD1 3.73Å; H176-I178 HydrophobicContact CB-CG1 3.69Å
177V98.1Very high94.5Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-112.6112.3167.3-1750000107.9T166 V167 K191 I193 V299 V300 V303T166-V177 HydrophobicContact CG2-CG1 3.76Å; V167-V177 WeakPolarHBondContact O-CA 3.33Å; V177-K191 PolarHBondContact N-O 2.92Å; V177-K191 PolarHBondContact O-N 3.14Å; V177-I193 HydrophobicContact CG2-CD1 4.14Å; V177-V299 HydrophobicContact CB-CG1 4.42Å; V177-V299 HydrophobicContact CG2-CG1 3.91Å; V177-V300 HydrophobicContact CG1-CB 4.44Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 4.04Å; V177-V303 HydrophobicContact CB-CG2 4.03Å; V177-V303 HydrophobicContact CG1-CB 3.97Å; V177-V303 HydrophobicContact CG1-CG1 4Å; V177-V303 HydrophobicContact CG1-CG2 3.8Å
178I98.2Very high94.4Very high0 Ų032.6 Ų32.60%019%0.192CC..EExtended strand (participates in β ladder)trans-124.2107.6-164.1-51166.4000109.2P116 A145 V167 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CD1 4.3Å; P116-I178 HydrophobicContact CB-CG2 4.25Å; P116-I178 HydrophobicContact CG-CD1 3.68Å; P116-I178 HydrophobicContact CG-CG1 4.12Å; A145-I178 HydrophobicContact CB-CB 4.12Å; A145-I178 HydrophobicContact CB-CD1 3.85Å; A145-I178 HydrophobicContact CB-CG2 3.71Å; V167-I178 HydrophobicContact CB-CB 4.37Å; V167-I178 PolarHBondContact N-O 3.04Å; V167-I178 PolarHBondContact O-N 3.3Å; H176-I178 HydrophobicContact CB-CD1 3.73Å; H176-I178 HydrophobicContact CB-CG1 3.69Å; I178-V180 HydrophobicContact CG2-CG2 4.33Å; I178-V185 HydrophobicContact CG2-CB 4.49Å; I178-V185 HydrophobicContact CG2-CG1 3.49Å; I178-V185 VanDerWaalsContact CG2-CG1 3.49Å; I178-V185 HydrophobicContact CG2-CG2 4.21Å; I178-I190 HydrophobicContact CG2-CD1 4.41Å; I178-I190 HydrophobicContact CG2-CG1 4.34Å
179P98.3Very high94.3Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-79.1130.8172.729.9-29.2000110.6I186 C189 V303 C307 L315P179-I186 HydrophobicContact CB-CB 4.5Å; P179-I186 HydrophobicContact CB-CD1 4.48Å; P179-I186 HydrophobicContact CG-CB 4.08Å; P179-I186 PolarHBondContact O-N 3.5Å; P179-C189 HydrophobicContact CG-CB 3.75Å; P179-V303 HydrophobicContact CB-CG1 4.06Å; P179-V303 HydrophobicContact CG-CG1 3.66Å; P179-C307 WeakPolarHBondContact CB-SG 3.25Å; P179-L315 HydrophobicContact CB-CD1 4.11Å; P179-L315 HydrophobicContact CB-CD2 4.25Å
180V97.7Very high94.4Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-123.5133.8177.6-166.60000108.9A145 V146 L149 L163 T164 G165 V167 I178 Y184 V185 L315A145-V180 HydrophobicContact CB-CG2 4.06Å; V146-V180 HydrophobicContact CG2-CG1 4.31Å; L149-V180 HydrophobicContact CD1-CB 3.63Å; L149-V180 HydrophobicContact CD1-CG1 3.88Å; L149-V180 HydrophobicContact CD1-CG2 3.8Å; L163-V180 VanDerWaalsContact O-CG1 3.28Å; L163-V180 WeakPolarHBondContact O-CG1 3.45Å; T164-V180 CarbonylContact C-O 3.51Å; T164-V180 VanDerWaalsContact CA-O 3.31Å; T164-V180 WeakPolarHBondContact CA-O 3.5Å; G165-V180 PolarHBondContact N-O 3.08Å; G165-V180 PolarHBondContact O-N 3.4Å; V167-V180 HydrophobicContact CG2-CG2 4.31Å; I178-V180 HydrophobicContact CG2-CG2 4.33Å; V180-Y184 WeakPolarHBondContact CA-O 3.47Å; V180-Y184 WeakPolarHBondContact CG1-O 3.43Å; V180-V185 HydrophobicContact CG2-CG2 4.24Å; V180-L315 WeakPolarHBondContact O-CD2 3.37Å
181A96Very high94.4Very high19 Ų1936.5 Ų36.516%0.15721%0.209CC..EExtended strand (participates in β ladder)trans-126.6122.9173.800000109.4G183 Y184 I186 V311A181-G183 PolarHBondContact O-N 2.83Å; A181-G183 VanDerWaalsContact O-N 3.11Å; A181-Y184 PolarHBondContact N-O 3.07Å; A181-Y184 PolarHBondContact O-N 2.79Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.34Å; A181-V311 HydrophobicContact CB-CG1 4.19Å
182E92.8Very high94.5Very high162 Ų16241.2 Ų41.276%0.75722%0.224SC*.THydrogen-bonded Turntrans53.234.3178.2-56.8-175.7175.200113.2T164 Y184T164-E182 PolarHBondContact OG1-N 3.4Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 WeakPolarHBondContact O-CD2 3.41Å; E182-Y184 PolarHBondContact O-N 2.87Å
183G91.3Very high94.7Very high2 Ų239.3 Ų39.32%0.02121%0.214CC..THydrogen-bonded Turntrans86-10.1-177.800000115.4V146 L163 A181 V413V146-G183 VanDerWaalsContact CG2-O 3.22Å; V146-G183 WeakPolarHBondContact CG2-O 3.24Å; L163-G183 PolarHBondContact O-N 2.8Å; A181-G183 PolarHBondContact O-N 2.83Å; A181-G183 VanDerWaalsContact O-N 3.11Å; G183-V413 WeakPolarHBondContact O-CG2 3.37Å
184Y92.4Very high95Very high133 Ų13340.9 Ų40.952%0.52222%0.221SC..EExtended strand (participates in β ladder)trans-97.9131.7176.9-62.9-80.9000111.1V180 A181 E182V180-Y184 WeakPolarHBondContact CA-O 3.47Å; V180-Y184 WeakPolarHBondContact CG1-O 3.43Å; A181-Y184 PolarHBondContact N-O 3.07Å; A181-Y184 PolarHBondContact O-N 2.79Å; E182-Y184 VanDerWaalsContact C-N 3.29Å; E182-Y184 WeakPolarHBondContact O-CD2 3.41Å; E182-Y184 PolarHBondContact O-N 2.87Å
185V95.4Very high95.3Very high37 Ų3739.9 Ų39.922%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-75.6130.4176.8179.10000109.9P116 V143 A145 V146 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.22Å; V143-V185 HydrophobicContact CG1-CG2 3.81Å; A145-V185 HydrophobicContact CB-CG2 4.49Å; V146-V185 HydrophobicContact CG2-CG2 4.48Å; I178-V185 HydrophobicContact CG2-CB 4.49Å; I178-V185 HydrophobicContact CG2-CG1 3.49Å; I178-V185 VanDerWaalsContact CG2-CG1 3.49Å; I178-V185 HydrophobicContact CG2-CG2 4.21Å; V180-V185 HydrophobicContact CG2-CG2 4.24Å; V185-G187 VanDerWaalsContact C-N 3.27Å; V185-G187 PolarHBondContact O-N 3.11Å; V185-I190 HydrophobicContact CG1-CD1 3.69Å; V185-I190 HydrophobicContact CG1-CG1 4.17Å
186I96.2Very high95.3Very high30 Ų3039.9 Ų39.915%0.15422%0.215CC..  trans-82.978.9174-50.2173.7000108.2P179 A181 S188 C189 C307 V311P179-I186 HydrophobicContact CB-CB 4.5Å; P179-I186 HydrophobicContact CB-CD1 4.48Å; P179-I186 HydrophobicContact CG-CB 4.08Å; P179-I186 PolarHBondContact O-N 3.5Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.34Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.21Å; I186-S188 VanDerWaalsContact O-N 3.17Å; I186-C189 HydrophobicContact CG2-CB 4.13Å; I186-C189 PolarHBondContact O-N 3.14Å; I186-C307 HydrophobicContact CD1-CB 4.39Å; I186-V311 HydrophobicContact CD1-CG2 4.16Å
187G93.6Very high95.3Very high36 Ų3638.9 Ų38.937%0.37121%0.211SC..G310 helixtrans-54.2-36.8-17100000114.8V185 C189 I190V185-G187 VanDerWaalsContact C-N 3.27Å; V185-G187 PolarHBondContact O-N 3.11Å; G187-C189 PolarHBondContact O-N 3.45Å; G187-C189 VanDerWaalsContact O-N 3.14Å; G187-I190 PolarHBondContact O-N 2.99Å
188S95.7Very high95.1Very high114 Ų11442.2 Ų42.280%0.79722%0.223SC*.G310 helixtrans-64.6-16.7179.756.50000114.4I186I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.21Å; I186-S188 VanDerWaalsContact O-N 3.17Å
189C97.3Very high95Very high8 Ų844.5 Ų44.55%0.05424%0.236CC..G310 helixtrans-108-1.1-175.8-60.10000113P179 I186 G187 V303 N306P179-C189 HydrophobicContact CG-CB 3.75Å; I186-C189 HydrophobicContact CG2-CB 4.13Å; I186-C189 PolarHBondContact O-N 3.14Å; G187-C189 PolarHBondContact O-N 3.45Å; G187-C189 VanDerWaalsContact O-N 3.14Å; C189-V303 WeakPolarHBondContact O-CG1 3.45Å; C189-V303 WeakPolarHBondContact O-CG2 3.36Å; C189-N306 HydrophobicContact CB-CB 4.47Å; C189-N306 PolarHBondContact SG-O 3.38Å; C189-N306 VanDerWaalsContact SG-O 3.39Å
190I96.6Very high95Very high22 Ų2244.5 Ų44.511%0.11324%0.236CC..  trans-63.9138.9179.7-62.3173.1000110.1P116 L117 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.7Å; P116-I190 HydrophobicContact CG-CD1 4.05Å; L117-I190 HydrophobicContact CD2-CD1 3.93Å; L117-I190 HydrophobicContact CG-CD1 4.13Å; I178-I190 HydrophobicContact CG2-CD1 4.41Å; I178-I190 HydrophobicContact CG2-CG1 4.34Å; V185-I190 HydrophobicContact CG1-CD1 3.69Å; V185-I190 HydrophobicContact CG1-CG1 4.17Å; G187-I190 PolarHBondContact O-N 2.99Å
191K96.4Very high95Very high74 Ų7445.2 Ų45.232%0.32224%0.24SC..EExtended strand (participates in β ladder)trans-124.7144.2169.2-66.8-72.3-175.6142.90110.5V177 V299 E302 V303V177-K191 PolarHBondContact N-O 2.92Å; V177-K191 PolarHBondContact O-N 3.14Å; K191-V299 HydrophobicContact CB-CG1 3.73Å; K191-V299 HydrophobicContact CG-CG1 4.41Å; K191-E302 WeakPolarHBondContact CE-OE1 3.42Å; K191-E302 IonicContact NZ-OE1 3.18Å; K191-E302 PolarHBondContact NZ-OE1 3.16Å; K191-V303 HydrophobicContact CB-CG2 3.62Å; K191-V303 HydrophobicContact CG-CG2 3.41Å; K191-V303 VanDerWaalsContact CG-CG2 3.41Å
192H93.1Very high95Very high127 Ų12749.7 Ų49.759%0.58825%0.253SS*.EExtended strand (participates in β ladder)trans-107.5146.3171.658.4-94.6000109.5V174 T175V174-H192 HydrophobicContact CG2-CB 4.15Å; T175-H192 CarbonylContact O-C 3.45Å; T175-H192 WeakPolarHBondContact O-CA 3.39Å
193I94.8Very high95.2Very high1 Ų142.9 Ų42.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-116.7123.7175.2-56.8177.2000106.6T175 V177 I195 F292 I296 V299T175-I193 HydrophobicContact CG2-CB 4.49Å; T175-I193 HydrophobicContact CG2-CD1 4.32Å; T175-I193 PolarHBondContact N-O 3.28Å; T175-I193 PolarHBondContact O-N 3.18Å; V177-I193 HydrophobicContact CG2-CD1 4.14Å; I193-I195 HydrophobicContact CG2-CB 3.89Å; I193-I195 HydrophobicContact CG2-CG1 4.04Å; I193-I195 PolarHBondContact O-N 3.08Å; I193-F292 HydrophobicContact CB-CZ 4.49Å; I193-F292 HydrophobicContact CG1-CZ 4.34Å; I193-F292 HydrophobicContact CG2-CD1 4.38Å; I193-F292 HydrophobicContact CG2-CE1 3.68Å; I193-F292 HydrophobicContact CG2-CZ 4.04Å; I193-I296 HydrophobicContact CD1-CB 4.03Å; I193-I296 HydrophobicContact CD1-CD1 4.15Å; I193-I296 HydrophobicContact CD1-CG1 3.68Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 4Å; I193-V299 HydrophobicContact CD1-CG2 3.99Å; I193-V299 HydrophobicContact CG1-CB 4.4Å; I193-V299 HydrophobicContact CG1-CG1 4Å; I193-V299 HydrophobicContact CG1-CG2 4.13Å
194P93.3Very high95.5Very high49 Ų4942.8 Ų42.832%0.31822%0.22SC..SBendtrans-7945.7179.936.2-37.5000111.4N289 F292P194-N289 PolarHBondContact O-ND2 2.62Å; P194-F292 HydrophobicContact CG-CB 3.58Å; P194-F292 HydrophobicContact CG-CD1 4.08Å; P194-F292 HydrophobicContact CG-CD2 3.84Å; P194-F292 HydrophobicContact CG-CG 3.55Å
195I94.9Very high95.8Very high2 Ų237.2 Ų37.21%0.0120%0.199CC..  trans-139.5121.6177.3-59.5-66.9000106.9T175 I193 I281 F282 P285 N289T175-I195 VanDerWaalsContact CB-O 3.3Å; T175-I195 WeakPolarHBondContact CB-O 3.2Å; T175-I195 PolarHBondContact OG1-O 3.08Å; I193-I195 HydrophobicContact CG2-CB 3.89Å; I193-I195 HydrophobicContact CG2-CG1 4.04Å; I193-I195 PolarHBondContact O-N 3.08Å; I195-I281 HydrophobicContact CD1-CD1 4.49Å; I195-I281 HydrophobicContact CG2-CD1 3.92Å; I195-I281 HydrophobicContact CG2-CG1 3.71Å; I195-F282 HydrophobicContact CG2-CD1 3.94Å; I195-F282 HydrophobicContact CG2-CE1 3.93Å; I195-F282 HydrophobicContact CG2-CG 4.43Å; I195-F282 HydrophobicContact CG2-CZ 4.47Å; I195-P285 HydrophobicContact CD1-CB 4.35Å; I195-P285 HydrophobicContact CG1-CB 4.15Å; I195-N289 HydrophobicContact CD1-CB 3.97Å
196A94.7Very high95.8Very high0 Ų040.4 Ų40.40%021%0.211CC..  trans-146.3-169.7-179.800000111.5D172 V174 R198 D199 I200D172-A196 VanDerWaalsContact O-CB 3.31Å; D172-A196 WeakPolarHBondContact O-CB 3.28Å; V174-A196 VanDerWaalsContact N-CB 3.31Å; A196-R198 PolarHBondContact O-N 2.92Å; A196-D199 PolarHBondContact N-OD2 2.84Å; A196-D199 PolarHBondContact O-N 3.11Å; A196-I200 WeakPolarHBondContact O-CG1 3.29Å; A196-I200 PolarHBondContact O-N 3.09Å
197G94.8Very high95.9Very high1 Ų140.3 Ų40.31%0.0121%0.211CC..Hα-helixtrans-60.3-31.3-175.800000113.6G171 D172 T201 K228 S325G171-G197 PolarHBondContact O-N 3.04Å; D172-G197 PolarHBondContact O-N 3.3Å; G197-T201 PolarHBondContact O-N 2.86Å; G197-T201 PolarHBondContact O-OG1 3.46Å; G197-K228 PolarHBondContact O-NZ 2.89Å; G197-S325 WeakPolarHBondContact CA-OG 3.44Å; G197-S325 PolarHBondContact N-OG 3.36Å
198R94Very high96Very high69 Ų6938.7 Ų38.726%0.2619%0.194SC..Hα-helixtrans-70-45.3177-177.1174.6-58.2157.46.2112.2D172 A196 I200 T201 Y202D172-R198 WeakPolarHBondContact O-CB 3.45Å; D172-R198 PolarHBondContact O-N 3Å; D172-R198 IonicContact OD2-CZ 2.65Å; D172-R198 IonicContact OD2-NE 2.77Å; D172-R198 PolarHBondContact OD2-NE 3.37Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.32Å; A196-R198 PolarHBondContact O-N 2.92Å; R198-I200 VanDerWaalsContact C-N 3.31Å; R198-I200 PolarHBondContact O-N 2.9Å; R198-T201 WeakPolarHBondContact O-CB 3.43Å; R198-T201 PolarHBondContact O-N 3.23Å; R198-T201 VanDerWaalsContact O-N 3.09Å; R198-Y202 HydrophobicContact CG-CD2 3.8Å; R198-Y202 HydrophobicContact CG-CE2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.4Å; R198-Y202 PolarHBondContact O-N 2.94Å
199D95.9Very high96Very high49 Ų4940.9 Ų40.926%0.26219%0.185SC..Hα-helixtrans-63.6-40-179.9-50-65.2000110.9A196 T201 Y202 F203 I281A196-D199 PolarHBondContact N-OD2 2.84Å; A196-D199 PolarHBondContact O-N 3.11Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 PolarHBondContact O-N 2.81Å; D199-Y202 PolarHBondContact O-N 2.82Å; D199-F203 WeakPolarHBondContact O-CB 3.24Å; D199-F203 PolarHBondContact O-N 3.47Å; D199-I281 HydrophobicContact CB-CD1 4.38Å
200I97.6Very high95.8Very high0 Ų046.9 Ų46.90%021%0.212CC..Hα-helixtrans-62.1-41.6173.9-60.1166.4000111A196 R198 T204 K228 I281 F282 F328A196-I200 WeakPolarHBondContact O-CG1 3.29Å; A196-I200 PolarHBondContact O-N 3.09Å; R198-I200 VanDerWaalsContact C-N 3.31Å; R198-I200 PolarHBondContact O-N 2.9Å; I200-T204 VanDerWaalsContact O-CB 3.3Å; I200-T204 WeakPolarHBondContact O-CB 3.4Å; I200-T204 PolarHBondContact O-N 2.65Å; I200-T204 PolarHBondContact O-OG1 2.75Å; I200-K228 HydrophobicContact CB-CD 4.05Å; I200-K228 HydrophobicContact CG2-CD 3.66Å; I200-K228 HydrophobicContact CG2-CG 3.85Å; I200-I281 HydrophobicContact CB-CD1 4.3Å; I200-I281 HydrophobicContact CG1-CD1 3.63Å; I200-I281 HydrophobicContact CG1-CG1 3.99Å; I200-F282 HydrophobicContact CD1-CD2 4.11Å; I200-F282 HydrophobicContact CD1-CE2 3.36Å; I200-F282 HydrophobicContact CD1-CZ 3.88Å; I200-F282 HydrophobicContact CG1-CE2 4.48Å; I200-F328 HydrophobicContact CD1-CE2 3.62Å; I200-F328 HydrophobicContact CD1-CZ 3.91Å; I200-F328 HydrophobicContact CG2-CZ 4.17Å
201T97.6Very high95.7Very high14 Ų1450.5 Ų50.59%0.08622%0.224CC..Hα-helixtrans-64.9-42.7176.4-72.40000111.5G197 R198 D199 T204 Q205 L221 A224 K225 K228G197-T201 PolarHBondContact O-N 2.86Å; G197-T201 PolarHBondContact O-OG1 3.46Å; R198-T201 WeakPolarHBondContact O-CB 3.43Å; R198-T201 PolarHBondContact O-N 3.23Å; R198-T201 VanDerWaalsContact O-N 3.09Å; D199-T201 VanDerWaalsContact C-N 3.32Å; D199-T201 PolarHBondContact O-N 2.81Å; T201-T204 PolarHBondContact O-N 2.56Å; T201-Q205 WeakPolarHBondContact O-CB 3.48Å; T201-Q205 PolarHBondContact O-N 3.23Å; T201-L221 HydrophobicContact CG2-CD2 4.24Å; T201-A224 HydrophobicContact CG2-CB 4.14Å; T201-K225 HydrophobicContact CG2-CB 4.19Å; T201-K228 WeakPolarHBondContact OG1-CD 3.41Å; T201-K228 WeakPolarHBondContact OG1-CE 3.19Å; T201-K228 PolarHBondContact OG1-NZ 3.4Å
202Y96.9Very high95.7Very high113 Ų11348.6 Ų48.644%0.44322%0.217SC..Hα-helixtrans-66.4-41.9176.8-69.3-40.4000112.6R198 D199 Q205 Q206 L221R198-Y202 HydrophobicContact CG-CD2 3.8Å; R198-Y202 HydrophobicContact CG-CE2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.4Å; R198-Y202 PolarHBondContact O-N 2.94Å; D199-Y202 PolarHBondContact O-N 2.82Å; Y202-Q205 WeakPolarHBondContact O-CB 3.46Å; Y202-Q205 PolarHBondContact O-N 3.11Å; Y202-Q206 PolarHBondContact O-N 2.69Å; Y202-L221 HydrophobicContact CD1-CD2 3.59Å; Y202-L221 HydrophobicContact CE1-CD1 4.29Å; Y202-L221 HydrophobicContact CE1-CD2 3.49Å; Y202-L221 VanDerWaalsContact CE1-CD2 3.49Å
203F97.6Very high95.6Very high19 Ų1948.6 Ų48.68%0.08323%0.225CC..Hα-helixtrans-63.8-43.4175.9-174.9-121.9000111.5D199 Q205 Q206 L207 L277 I281 F287 A288D199-F203 WeakPolarHBondContact O-CB 3.24Å; D199-F203 PolarHBondContact O-N 3.47Å; F203-Q205 VanDerWaalsContact C-N 3.3Å; F203-Q205 PolarHBondContact O-N 3.33Å; F203-Q206 WeakPolarHBondContact O-CB 3.23Å; F203-Q206 PolarHBondContact O-N 2.98Å; F203-L207 HydrophobicContact CD1-CD1 4.24Å; F203-L207 HydrophobicContact CE1-CD1 3.91Å; F203-L207 HydrophobicContact CZ-CD1 4.16Å; F203-L207 HydrophobicContact CZ-CD2 4.41Å; F203-L207 HydrophobicContact CZ-CG 4.44Å; F203-L207 WeakPolarHBondContact O-CG 3.39Å; F203-L207 PolarHBondContact O-N 3.2Å; F203-L207 VanDerWaalsContact O-N 3.08Å; F203-L277 HydrophobicContact CE1-CB 4.1Å; F203-L277 WeakPolarHBondContact CE1-O 3.31Å; F203-I281 HydrophobicContact CB-CD1 4.45Å; F203-I281 HydrophobicContact CD1-CG2 3.55Å; F203-I281 HydrophobicContact CE1-CG2 3.67Å; F203-I281 HydrophobicContact CG-CG2 4.19Å; F203-I281 HydrophobicContact CZ-CG2 4.4Å; F203-F287 HydrophobicContact CZ-CB 4.18Å; F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 4Å; F203-A288 HydrophobicContact CG-CB 4.17Å
204T97.8Very high95.5Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-59.7-42.1173.1-57.30000111.2I200 T201 Q206 L207 L208 A224 V227 E274I200-T204 VanDerWaalsContact O-CB 3.3Å; I200-T204 WeakPolarHBondContact O-CB 3.4Å; I200-T204 PolarHBondContact O-N 2.65Å; I200-T204 PolarHBondContact O-OG1 2.75Å; T201-T204 PolarHBondContact O-N 2.56Å; T204-Q206 VanDerWaalsContact C-N 3.34Å; T204-Q206 PolarHBondContact O-N 3.2Å; T204-L207 PolarHBondContact O-N 3.24Å; T204-L208 HydrophobicContact CG2-CD1 4.25Å; T204-L208 WeakPolarHBondContact O-CG 3.46Å; T204-L208 PolarHBondContact O-N 3.33Å; T204-A224 HydrophobicContact CG2-CB 4.26Å; T204-V227 HydrophobicContact CG2-CB 4.24Å; T204-V227 HydrophobicContact CG2-CG1 3.89Å; T204-E274 HydrophobicContact CG2-CB 4.19Å; T204-E274 HydrophobicContact CG2-CG 4.19Å
205Q97.5Very high95.5Very high17 Ų1750.4 Ų50.48%0.07925%0.246CC..Hα-helixtrans-61.5-42.5176.9-177.1-174.537.800111.9T201 Y202 F203 L208 R209 S220 L221 A224T201-Q205 WeakPolarHBondContact O-CB 3.48Å; T201-Q205 PolarHBondContact O-N 3.23Å; Y202-Q205 WeakPolarHBondContact O-CB 3.46Å; Y202-Q205 PolarHBondContact O-N 3.11Å; F203-Q205 VanDerWaalsContact C-N 3.3Å; F203-Q205 PolarHBondContact O-N 3.33Å; Q205-L208 PolarHBondContact O-N 3.07Å; Q205-R209 WeakPolarHBondContact O-CG 3.25Å; Q205-R209 PolarHBondContact O-N 3.48Å; Q205-S220 WeakPolarHBondContact CG-OG 3.09Å; Q205-S220 PolarHBondContact NE2-OG 2.71Å; Q205-L221 VanDerWaalsContact OE1-CD2 3.25Å; Q205-A224 HydrophobicContact CB-CB 3.69Å; Q205-A224 HydrophobicContact CG-CB 4.41Å
206Q96.8Very high95.5Very high103 Ų10350.7 Ų50.748%0.48125%0.248SC..Hα-helixtrans-60.1-49.6176.9-178.6-178.6-18.200110.8Y202 F203 T204 L208 R209 E210Y202-Q206 PolarHBondContact O-N 2.69Å; F203-Q206 WeakPolarHBondContact O-CB 3.23Å; F203-Q206 PolarHBondContact O-N 2.98Å; T204-Q206 VanDerWaalsContact C-N 3.34Å; T204-Q206 PolarHBondContact O-N 3.2Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 3.44Å; Q206-R209 PolarHBondContact O-N 3.25Å; Q206-R209 VanDerWaalsContact O-N 3.09Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.37Å; Q206-E210 PolarHBondContact NE2-OE1 2.71Å; Q206-E210 WeakPolarHBondContact O-CG 3.5Å; Q206-E210 PolarHBondContact O-N 3.41Å
207L96.6Very high95.4Very high28 Ų2855.9 Ų55.915%0.14728%0.282CS..Hα-helixtrans-59.1-40.4178.5-65.2175.1000112.4F203 T204 E210 R211 E274 L277F203-L207 HydrophobicContact CD1-CD1 4.24Å; F203-L207 HydrophobicContact CE1-CD1 3.91Å; F203-L207 HydrophobicContact CZ-CD1 4.16Å; F203-L207 HydrophobicContact CZ-CD2 4.41Å; F203-L207 HydrophobicContact CZ-CG 4.44Å; F203-L207 WeakPolarHBondContact O-CG 3.39Å; F203-L207 PolarHBondContact O-N 3.2Å; F203-L207 VanDerWaalsContact O-N 3.08Å; T204-L207 PolarHBondContact O-N 3.24Å; L207-E210 PolarHBondContact O-N 2.87Å; L207-R211 PolarHBondContact O-N 2.84Å; L207-E274 HydrophobicContact CB-CB 4.14Å; L207-E274 HydrophobicContact CD1-CB 3.7Å; L207-L277 HydrophobicContact CD1-CB 3.93Å; L207-L277 HydrophobicContact CD1-CD1 4.1Å
208L96.9Very high95.1Very high2 Ų260.9 Ų60.91%0.0131%0.305CS..Hα-helixtrans-66-38.7176.1-70.4175.9000112.1T204 Q205 Q206 E210 R211 E212 I215 T223 A224 V227 I269 E274T204-L208 HydrophobicContact CG2-CD1 4.25Å; T204-L208 WeakPolarHBondContact O-CG 3.46Å; T204-L208 PolarHBondContact O-N 3.33Å; Q205-L208 PolarHBondContact O-N 3.07Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 3.44Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 2.92Å; L208-R211 PolarHBondContact O-N 3.36Å; L208-E212 HydrophobicContact CD2-CG 4.05Å; L208-E212 WeakPolarHBondContact O-CA 3.2Å; L208-E212 WeakPolarHBondContact O-CB 3.12Å; L208-E212 PolarHBondContact O-N 3.23Å; L208-I215 HydrophobicContact CB-CD1 4.06Å; L208-T223 HydrophobicContact CD1-CG2 4.32Å; L208-A224 HydrophobicContact CD1-CB 4.26Å; L208-V227 HydrophobicContact CD1-CG2 4.21Å; L208-I269 HydrophobicContact CD1-CD1 4.46Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; L208-E274 HydrophobicContact CD2-CG 4.29Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.05Å
209R95.1Very high95.1Very high160 Ų16058.5 Ų58.560%0.60430%0.296SS*.Hα-helixtrans-67.7-31.5177.9-75.3173.7176.6-176.1-2.5113.1Q205 Q206 S220Q205-R209 WeakPolarHBondContact O-CG 3.25Å; Q205-R209 PolarHBondContact O-N 3.48Å; Q206-R209 PolarHBondContact O-N 3.25Å; Q206-R209 VanDerWaalsContact O-N 3.09Å; R209-S220 PolarHBondContact NE-OG 2.81Å
210E94Very high95Very high135 Ų13556.5 Ų56.563%0.63129%0.286SS*.Hα-helixtrans-74.5-28.1179.5-71.6173.2-169.200112.6Q206 L207 L208Q206-E210 WeakPolarHBondContact CG-OE1 3.37Å; Q206-E210 PolarHBondContact NE2-OE1 2.71Å; Q206-E210 WeakPolarHBondContact O-CG 3.5Å; Q206-E210 PolarHBondContact O-N 3.41Å; L207-E210 PolarHBondContact O-N 2.87Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 2.92Å
211R94.8Very high94.8Very high98 Ų9860 Ų6037%0.3731%0.305SS..Hα-helixtrans-111-45.7-174.2-168.6-176.972.1-129.9-5.7114.8L207 L208 D270 E274L207-R211 PolarHBondContact O-N 2.84Å; L208-R211 PolarHBondContact O-N 3.36Å; R211-D270 PolarHBondContact NH2-O 3.46Å; R211-E274 IonicContact CZ-OE1 3.71Å; R211-E274 IonicContact CZ-OE2 3.41Å; R211-E274 IonicContact NH1-OE1 3.74Å; R211-E274 IonicContact NH1-OE2 2.68Å; R211-E274 PolarHBondContact NH1-OE2 2.95Å; R211-E274 IonicContact NH2-OE1 2.8Å; R211-E274 PolarHBondContact NH2-OE1 3.44Å; R211-E274 IonicContact NH2-OE2 3.25Å; R211-E274 PolarHBondContact NH2-OE2 2.95Å
212E94.8Very high94.6Very high34 Ų3464.6 Ų64.616%0.15933%0.325CS..  trans-95148.4-168.2-59.8-62.313400112.2L208 I215 I269 D270L208-E212 HydrophobicContact CD2-CG 4.05Å; L208-E212 WeakPolarHBondContact O-CA 3.2Å; L208-E212 WeakPolarHBondContact O-CB 3.12Å; L208-E212 PolarHBondContact O-N 3.23Å; E212-I215 HydrophobicContact CB-CD1 4.11Å; E212-I269 HydrophobicContact CB-CB 4.32Å; E212-I269 HydrophobicContact CB-CG2 4.12Å; E212-I269 HydrophobicContact CG-CB 4.09Å; E212-I269 HydrophobicContact CG-CG2 4.44Å; E212-I269 WeakPolarHBondContact OE2-CB 3.35Å; E212-D270 VanDerWaalsContact CD-O 3.25Å; E212-D270 PolarHBondContact OE2-N 3.43Å
213V92.5Very high94.6Very high126 Ų12659.3 Ų59.376%0.76431%0.305SS*.  trans-117.9158.5175-63.70000110.4I215V213-I215 VanDerWaalsContact C-N 3.35Å; V213-I215 PolarHBondContact O-N 3.35Å
214G90.9Very high94.6Very high60 Ų6058.4 Ų58.462%0.61930%0.301SS*.  trans85.6-0.517500000115.6P216G214-P216 WeakPolarHBondContact O-CD 3.5Å
215I94.7Very high94.5Very high28 Ų2861.8 Ų61.814%0.14432%0.316CS..  trans-70.2122.8168.4-55.8176.2000108.7L208 E212 V213 T223 F267 I269L208-I215 HydrophobicContact CB-CD1 4.06Å; E212-I215 HydrophobicContact CB-CD1 4.11Å; V213-I215 VanDerWaalsContact C-N 3.35Å; V213-I215 PolarHBondContact O-N 3.35Å; I215-T223 HydrophobicContact CD1-CG2 4.28Å; I215-T223 HydrophobicContact CG2-CG2 4.44Å; I215-F267 HydrophobicContact CG1-CE2 4.43Å; I215-F267 HydrophobicContact CG2-CE2 4.49Å; I215-I269 HydrophobicContact CD1-CD1 3.84Å; I215-I269 HydrophobicContact CD1-CG2 4.06Å; I215-I269 HydrophobicContact CG1-CD1 4.29Å; I215-I269 HydrophobicContact CG1-CG2 3.59Å
216P94.4Very high94.5Very high8 Ų861.6 Ų61.65%0.05232%0.316CS..  trans-62.9129.9175.1-20.433.8000110.4G214 E218 Q219 S220 N260 F267G214-P216 WeakPolarHBondContact O-CD 3.5Å; P216-E218 VanDerWaalsContact CB-OE1 3.28Å; P216-E218 WeakPolarHBondContact CB-OE1 3.23Å; P216-E218 PolarHBondContact O-N 3Å; P216-Q219 HydrophobicContact CB-CB 4.31Å; P216-Q219 CarbonylContact O-C 3.57Å; P216-Q219 PolarHBondContact O-N 2.91Å; P216-S220 PolarHBondContact O-N 3Å; P216-S220 VanDerWaalsContact O-N 3.14Å; P216-N260 HydrophobicContact CG-CB 4.17Å; P216-N260 WeakPolarHBondContact CG-ND2 3.34Å; P216-F267 HydrophobicContact CG-CD1 4.05Å; P216-F267 HydrophobicContact CG-CE1 4.01Å
217P91.9Very high94.6Very high109 Ų10956.7 Ų56.771%0.70829%0.294SS*.G310 helixtrans-54.6-38.2-176.2-28.435.6000113.7Q219 S220P217-Q219 VanDerWaalsContact C-N 3.29Å; P217-Q219 PolarHBondContact O-N 3.4Å; P217-S220 VanDerWaalsContact O-CB 3.26Å; P217-S220 WeakPolarHBondContact O-CB 3.26Å; P217-S220 PolarHBondContact O-N 2.99Å
218E89.9Confident94.6Very high106 Ų10656.1 Ų56.150%0.49529%0.29SS..G310 helixtrans-67.7-24.817867.4-76.6-177.600113.4P216P216-E218 VanDerWaalsContact CB-OE1 3.28Å; P216-E218 WeakPolarHBondContact CB-OE1 3.23Å; P216-E218 PolarHBondContact O-N 3Å
219Q92.5Very high94.6Very high19 Ų1961.8 Ų61.89%0.08932%0.316CS..G310 helixtrans-104.910.7178-64.9-178.4-82.600113P216 P217 L221 E222 T223 V259 N260 A261P216-Q219 HydrophobicContact CB-CB 4.31Å; P216-Q219 CarbonylContact O-C 3.57Å; P216-Q219 PolarHBondContact O-N 2.91Å; P217-Q219 VanDerWaalsContact C-N 3.29Å; P217-Q219 PolarHBondContact O-N 3.4Å; Q219-L221 PolarHBondContact O-N 3.39Å; Q219-E222 PolarHBondContact NE2-OE2 2.89Å; Q219-E222 VanDerWaalsContact NE2-OE2 3.14Å; Q219-E222 PolarHBondContact O-N 3.23Å; Q219-T223 WeakPolarHBondContact O-CB 3.1Å; Q219-T223 PolarHBondContact O-N 3.44Å; Q219-T223 PolarHBondContact O-OG1 2.93Å; Q219-V259 PolarHBondContact NE2-O 2.9Å; Q219-V259 VanDerWaalsContact NE2-O 3.09Å; Q219-V259 PolarHBondContact OE1-O 3.22Å; Q219-N260 VanDerWaalsContact OE1-CA 3.26Å; Q219-A261 HydrophobicContact CG-CB 4.46Å
220S94.7Very high94.7Very high7 Ų762.8 Ų62.85%0.04932%0.32CS..Hα-helixtrans-63-40.3-175.9-178.90000112.3Q205 R209 P216 P217 A224Q205-S220 WeakPolarHBondContact CG-OG 3.09Å; Q205-S220 PolarHBondContact NE2-OG 2.71Å; R209-S220 PolarHBondContact NE-OG 2.81Å; P216-S220 PolarHBondContact O-N 3Å; P216-S220 VanDerWaalsContact O-N 3.14Å; P217-S220 VanDerWaalsContact O-CB 3.26Å; P217-S220 WeakPolarHBondContact O-CB 3.26Å; P217-S220 PolarHBondContact O-N 2.99Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.49Å; S220-A224 VanDerWaalsContact O-N 3.12Å
221L93.6Very high94.9Very high75 Ų7558.4 Ų58.439%0.39330%0.299SS..Hα-helixtrans-72-40.5176.1-76.9174.7000112.8T201 Y202 Q205 Q219 T223 A224 K225T201-L221 HydrophobicContact CG2-CD2 4.24Å; Y202-L221 HydrophobicContact CD1-CD2 3.59Å; Y202-L221 HydrophobicContact CE1-CD1 4.29Å; Y202-L221 HydrophobicContact CE1-CD2 3.49Å; Y202-L221 VanDerWaalsContact CE1-CD2 3.49Å; Q205-L221 VanDerWaalsContact OE1-CD2 3.25Å; Q219-L221 PolarHBondContact O-N 3.39Å; L221-T223 VanDerWaalsContact C-N 3.31Å; L221-T223 PolarHBondContact O-N 3.31Å; L221-A224 PolarHBondContact O-N 3.41Å; L221-K225 WeakPolarHBondContact O-CB 3.36Å; L221-K225 PolarHBondContact O-N 3.38Å
222E93.3Very high95Very high110 Ų11054.4 Ų54.451%0.51429%0.286SS..Hα-helixtrans-58.5-46.9176.7-174.7-173-175.700110.5Q219 K225 A226Q219-E222 PolarHBondContact NE2-OE2 2.89Å; Q219-E222 VanDerWaalsContact NE2-OE2 3.14Å; Q219-E222 PolarHBondContact O-N 3.23Å; E222-K225 PolarHBondContact O-N 3.26Å; E222-A226 WeakPolarHBondContact O-CB 3.15Å; E222-A226 PolarHBondContact O-N 3.13Å
223T96.4Very high95.2Very high1 Ų153.1 Ų53.11%0.00628%0.28CS..Hα-helixtrans-61-48.7177.2-57.40000111.3L208 I215 Q219 L221 K225 A226 V227 Y256 F267 I269L208-T223 HydrophobicContact CD1-CG2 4.32Å; I215-T223 HydrophobicContact CD1-CG2 4.28Å; I215-T223 HydrophobicContact CG2-CG2 4.44Å; Q219-T223 WeakPolarHBondContact O-CB 3.1Å; Q219-T223 PolarHBondContact O-N 3.44Å; Q219-T223 PolarHBondContact O-OG1 2.93Å; L221-T223 VanDerWaalsContact C-N 3.31Å; L221-T223 PolarHBondContact O-N 3.31Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.02Å; T223-A226 PolarHBondContact O-N 2.8Å; T223-V227 WeakPolarHBondContact O-CG2 3.26Å; T223-V227 PolarHBondContact O-N 3.08Å; T223-Y256 HydrophobicContact CG2-CD1 3.93Å; T223-Y256 HydrophobicContact CG2-CE1 3.76Å; T223-F267 HydrophobicContact CG2-CE2 4.43Å; T223-I269 HydrophobicContact CG2-CD1 3.51Å
224A97.8Very high95.5Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-62.4-39.5178.900000112.6T201 T204 Q205 L208 S220 L221 V227 K228T201-A224 HydrophobicContact CG2-CB 4.14Å; T204-A224 HydrophobicContact CG2-CB 4.26Å; Q205-A224 HydrophobicContact CB-CB 3.69Å; Q205-A224 HydrophobicContact CG-CB 4.41Å; L208-A224 HydrophobicContact CD1-CB 4.26Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.49Å; S220-A224 VanDerWaalsContact O-N 3.12Å; L221-A224 PolarHBondContact O-N 3.41Å; A224-V227 PolarHBondContact O-N 3.41Å; A224-K228 WeakPolarHBondContact O-CB 3.35Å; A224-K228 PolarHBondContact O-N 2.88Å
225K96.4Very high95.8Very high72 Ų7244.4 Ų44.431%0.31322%0.215SC..Hα-helixtrans-64.5-45.6174.8-174.6-174.8176.6-1660111.5Y16 T201 L221 E222 T223 V227 K228 E229Y16-K225 PolarHBondContact OH-NZ 2.96Å; T201-K225 HydrophobicContact CG2-CB 4.19Å; L221-K225 WeakPolarHBondContact O-CB 3.36Å; L221-K225 PolarHBondContact O-N 3.38Å; E222-K225 PolarHBondContact O-N 3.26Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.02Å; K225-V227 VanDerWaalsContact C-N 3.28Å; K225-V227 PolarHBondContact O-N 3.45Å; K225-K228 WeakPolarHBondContact O-CB 3.25Å; K225-K228 PolarHBondContact O-N 3.17Å; K225-E229 WeakPolarHBondContact CE-OE1 3.42Å; K225-E229 WeakPolarHBondContact CG-OE1 3.45Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 3.03Å
226A96.9Very high95.8Very high12 Ų1246.4 Ų46.410%0.09923%0.23CC..Hα-helixtrans-61.1-39.2175.700000111.6E222 T223 R230 Y256E222-A226 WeakPolarHBondContact O-CB 3.15Å; E222-A226 PolarHBondContact O-N 3.13Å; T223-A226 PolarHBondContact O-N 2.8Å; A226-R230 VanDerWaalsContact O-CB 3.3Å; A226-R230 WeakPolarHBondContact O-CB 3.16Å; A226-R230 WeakPolarHBondContact O-CG 3.3Å; A226-R230 PolarHBondContact O-N 2.85Å; A226-R230 VanDerWaalsContact O-N 3.08Å; A226-Y256 HydrophobicContact CB-CE2 3.84Å
227V97.9Very high95.9Very high0 Ų049.1 Ų49.10%024%0.244CC..Hα-helixtrans-62.9-49.7176168.10000111.3T204 L208 T223 A224 K225 E229 R230 F231 V271 E274T204-V227 HydrophobicContact CG2-CB 4.24Å; T204-V227 HydrophobicContact CG2-CG1 3.89Å; L208-V227 HydrophobicContact CD1-CG2 4.21Å; T223-V227 WeakPolarHBondContact O-CG2 3.26Å; T223-V227 PolarHBondContact O-N 3.08Å; A224-V227 PolarHBondContact O-N 3.41Å; K225-V227 VanDerWaalsContact C-N 3.28Å; K225-V227 PolarHBondContact O-N 3.45Å; V227-E229 PolarHBondContact O-N 3.36Å; V227-R230 PolarHBondContact O-N 3.25Å; V227-F231 HydrophobicContact CG2-CD2 4.49Å; V227-F231 PolarHBondContact O-N 3.18Å; V227-V271 HydrophobicContact CG1-CG1 3.71Å; V227-V271 HydrophobicContact CG2-CG1 4.49Å; V227-V271 HydrophobicContact CG2-CG2 4Å; V227-E274 HydrophobicContact CG1-CG 3.93Å
228K97.9Very high96Very high16 Ų1645.3 Ų45.37%0.0722%0.217CC..Hα-helixtrans-53.5-51.5176.1179.6-170.973.6-1760112G197 I200 T201 A224 K225 S232 F328G197-K228 PolarHBondContact O-NZ 2.89Å; I200-K228 HydrophobicContact CB-CD 4.05Å; I200-K228 HydrophobicContact CG2-CD 3.66Å; I200-K228 HydrophobicContact CG2-CG 3.85Å; T201-K228 WeakPolarHBondContact OG1-CD 3.41Å; T201-K228 WeakPolarHBondContact OG1-CE 3.19Å; T201-K228 PolarHBondContact OG1-NZ 3.4Å; A224-K228 WeakPolarHBondContact O-CB 3.35Å; A224-K228 PolarHBondContact O-N 2.88Å; K225-K228 WeakPolarHBondContact O-CB 3.25Å; K225-K228 PolarHBondContact O-N 3.17Å; K228-S232 WeakPolarHBondContact CA-OG 3.44Å; K228-S232 VanDerWaalsContact O-CB 3.28Å; K228-S232 WeakPolarHBondContact O-CB 3.33Å; K228-F328 HydrophobicContact CD-CZ 4.15Å; K228-F328 HydrophobicContact CG-CE1 3.85Å; K228-F328 HydrophobicContact CG-CZ 3.8Å
229E96.4Very high96.3Very high121 Ų12145.3 Ų45.357%0.56522%0.224SC*.Hα-helixtrans-74.8-29.6-171.7-69.7175.5-176.300113.1K225 V227K225-E229 WeakPolarHBondContact CE-OE1 3.42Å; K225-E229 WeakPolarHBondContact CG-OE1 3.45Å; K225-E229 WeakPolarHBondContact O-CG 3.47Å; K225-E229 PolarHBondContact O-N 3.03Å; V227-E229 PolarHBondContact O-N 3.36Å
230R97.2Very high96.5Very high181 Ų18151 Ų5168%0.68325%0.249SC*.Hα-helixtrans-99.4-33.3-173.9-63.5179.8-178.4-170.52.5114.3A226 V227A226-R230 VanDerWaalsContact O-CB 3.3Å; A226-R230 WeakPolarHBondContact O-CB 3.16Å; A226-R230 WeakPolarHBondContact O-CG 3.3Å; A226-R230 PolarHBondContact O-N 2.85Å; A226-R230 VanDerWaalsContact O-N 3.08Å; V227-R230 PolarHBondContact O-N 3.25Å
231F97.8Very high96.6Very high43 Ų4351 Ų5119%0.18925%0.248CC..Hα-helixtrans-118.8-17.6-167.8-57-75000114.6V227 K254 Y256 V271 R275V227-F231 HydrophobicContact CG2-CD2 4.49Å; V227-F231 PolarHBondContact O-N 3.18Å; F231-K254 HydrophobicContact CD1-CB 4.06Å; F231-K254 HydrophobicContact CD1-CG 4.23Å; F231-K254 HydrophobicContact CE1-CB 4.1Å; F231-Y256 HydrophobicContact CE2-CD2 4.05Å; F231-V271 HydrophobicContact CB-CG1 3.96Å; F231-V271 HydrophobicContact CD2-CG1 4.13Å; F231-V271 HydrophobicContact CD2-CG2 4.47Å; F231-V271 HydrophobicContact CG-CG1 4.11Å; F231-R275 HydrophobicContact CB-CG 4.01Å; F231-R275 PolarHBondContact O-NE 3.36Å; F231-R275 PolarHBondContact O-NH2 3.11Å
232S98.3Very high96.8Very high14 Ų1450.5 Ų50.510%0.09824%0.243CC..  trans-80.1150.1-174.4-59.70000113.8K228 R275K228-S232 WeakPolarHBondContact CA-OG 3.44Å; K228-S232 VanDerWaalsContact O-CB 3.28Å; K228-S232 WeakPolarHBondContact O-CB 3.33Å; S232-R275 CarbonylContact C-O 3.57Å; S232-R275 WeakPolarHBondContact CA-O 3.23Å; S232-R275 WeakPolarHBondContact CB-O 3.15Å
233Y98.4Very high96.9Very high8 Ų848.1 Ų48.13%0.03124%0.238CC..BIsolated β-bridgetrans-157.6159.9-179.962.2-82.8000110.4C235 E241 Y245 R275 F276Y233-C235 HydrophobicContact CE2-CB 4.39Å; Y233-E241 WeakPolarHBondContact CE2-OE1 2.9Å; Y233-E241 PolarHBondContact OH-OE1 3.35Å; Y233-Y245 WeakPolarHBondContact OH-CE2 3.29Å; Y233-Y245 PolarHBondContact OH-OH 2.63Å; Y233-R275 HydrophobicContact CD1-CB 4.25Å; Y233-R275 HydrophobicContact CE1-CB 3.85Å; Y233-R275 PolarHBondContact N-O 2.86Å; Y233-F276 HydrophobicContact CE2-CB 4.33Å; Y233-F276 WeakPolarHBondContact O-CA 3.4Å
234V98.4Very high96.9Very high1 Ų152 Ų521%0.00626%0.255CS..  trans-86.3130.2174.6177.90000109.7P279 F283 F328 R329 F331 R334V234-P279 HydrophobicContact CG2-CB 3.75Å; V234-F283 HydrophobicContact CG1-CD2 4.36Å; V234-F283 HydrophobicContact CG1-CE2 3.72Å; V234-F283 HydrophobicContact CG1-CZ 4.37Å; V234-F283 HydrophobicContact CG2-CE2 4.16Å; V234-F328 HydrophobicContact CG2-CB 3.96Å; V234-R329 PolarHBondContact N-O 3.32Å; V234-F331 HydrophobicContact CG2-CB 4.02Å; V234-F331 HydrophobicContact CG2-CD2 4.02Å; V234-R334 HydrophobicContact CG1-CB 3.55Å; V234-R334 HydrophobicContact CG1-CG 3.64Å
235C97.3Very high96.8Very high1 Ų152.2 Ų52.21%0.00726%0.256CS..  trans-93.9156.4175.879.90000111.7Y233 E241 F276 R334Y233-C235 HydrophobicContact CE2-CB 4.39Å; C235-E241 HydrophobicContact CB-CB 4.1Å; C235-E241 HydrophobicContact CB-CG 3.8Å; C235-F276 HydrophobicContact CB-CB 3.95Å; C235-R334 PolarHBondContact O-NH1 3.26Å
236P95.1Very high96.7Very high70 Ų7053.8 Ų53.846%0.45527%0.268SS..SBendtrans-78.1-29.4176.729.3-33.7000113.6R337P236-R337 PolarHBondContact O-NH1 2.86Å; P236-R337 PolarHBondContact O-NH2 2.82Å
237D95.4Very high96.6Very high65 Ų6559.1 Ų59.135%0.34830%0.299SS..  trans-157.4123.2-173.4-179.6-82.7000109.2V239 K240 E241D237-V239 PolarHBondContact OD1-N 2.88Å; D237-K240 HydrophobicContact CB-CB 4.24Å; D237-K240 HydrophobicContact CB-CD 4.16Å; D237-K240 HydrophobicContact CB-CG 4.44Å; D237-K240 WeakPolarHBondContact OD1-CB 3.21Å; D237-K240 WeakPolarHBondContact OD1-CG 3.27Å; D237-K240 PolarHBondContact OD1-N 3.38Å; D237-E241 WeakPolarHBondContact O-CB 3.49Å; D237-E241 PolarHBondContact O-N 3.48Å; D237-E241 VanDerWaalsContact O-N 3.12Å
238L94.9Very high96.3Very high29 Ų2962 Ų6215%0.15232%0.315CS..Hα-helixtrans-66.1-48.1-172.3-73.4168000112.9K240 E241 F242 F276 L277 E280 F287L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.11Å; L238-E241 WeakPolarHBondContact O-CA 3.4Å; L238-E241 WeakPolarHBondContact O-CB 3.4Å; L238-E241 PolarHBondContact O-N 3.4Å; L238-F242 HydrophobicContact CB-CE2 4.45Å; L238-F242 WeakPolarHBondContact O-CD2 3.23Å; L238-F242 PolarHBondContact O-N 3.12Å; L238-F276 HydrophobicContact CD2-CD2 3.8Å; L238-F276 HydrophobicContact CD2-CE2 4.05Å; L238-L277 HydrophobicContact CD2-CD2 4.15Å; L238-E280 HydrophobicContact CD1-CG 3.84Å; L238-E280 HydrophobicContact CD2-CB 4.31Å; L238-E280 HydrophobicContact CD2-CG 3.72Å; L238-E280 HydrophobicContact CG-CG 4.1Å; L238-F287 HydrophobicContact CD1-CE2 3.99Å; L238-F287 HydrophobicContact CD1-CZ 4.08Å
239V96.6Very high95.9Very high107 Ų10762.4 Ų62.465%0.64832%0.323SS*.Hα-helixtrans-62.9-42-174.8179.40000110.9D237 E241 S243D237-V239 PolarHBondContact OD1-N 2.88Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 2.97Å; V239-S243 PolarHBondContact O-N 2.91Å; V239-S243 PolarHBondContact O-OG 3.45Å
240K96.2Very high95.6Very high139 Ų13962.1 Ų62.160%0.60433%0.334SS*.Hα-helixtrans-65.4-35.5174.1-71.9176.9-177.2175.30112.1D237 L238 K244D237-K240 HydrophobicContact CB-CB 4.24Å; D237-K240 HydrophobicContact CB-CD 4.16Å; D237-K240 HydrophobicContact CB-CG 4.44Å; D237-K240 WeakPolarHBondContact OD1-CB 3.21Å; D237-K240 WeakPolarHBondContact OD1-CG 3.27Å; D237-K240 PolarHBondContact OD1-N 3.38Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.11Å; K240-K244 WeakPolarHBondContact O-CG 3.35Å; K240-K244 PolarHBondContact O-N 2.85Å
241E96.9Very high95.4Very high5 Ų559.3 Ų59.32%0.02333%0.327CS..Hα-helixtrans-69.1-45178.3-152.267.7-170.100111.1Y233 C235 D237 L238 V239 S243 K244 Y245 F276Y233-E241 WeakPolarHBondContact CE2-OE1 2.9Å; Y233-E241 PolarHBondContact OH-OE1 3.35Å; C235-E241 HydrophobicContact CB-CB 4.1Å; C235-E241 HydrophobicContact CB-CG 3.8Å; D237-E241 WeakPolarHBondContact O-CB 3.49Å; D237-E241 PolarHBondContact O-N 3.48Å; D237-E241 VanDerWaalsContact O-N 3.12Å; L238-E241 WeakPolarHBondContact O-CA 3.4Å; L238-E241 WeakPolarHBondContact O-CB 3.4Å; L238-E241 PolarHBondContact O-N 3.4Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 2.97Å; E241-S243 VanDerWaalsContact C-N 3.34Å; E241-S243 PolarHBondContact O-N 2.71Å; E241-K244 WeakPolarHBondContact O-CB 3.4Å; E241-K244 PolarHBondContact O-N 2.9Å; E241-K244 VanDerWaalsContact O-N 3.14Å; E241-K244 IonicContact OE1-NZ 2.71Å; E241-K244 IonicContact OE2-NZ 2.82Å; E241-K244 PolarHBondContact OE2-NZ 3.15Å; E241-Y245 HydrophobicContact CG-CE2 4.19Å; E241-Y245 VanDerWaalsContact O-CD2 3.28Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 PolarHBondContact O-N 3.16Å; E241-F276 HydrophobicContact CB-CD1 4.4Å; E241-F276 HydrophobicContact CB-CD2 4.35Å; E241-F276 HydrophobicContact CB-CE1 4.35Å; E241-F276 HydrophobicContact CB-CE2 4.31Å; E241-F276 HydrophobicContact CB-CG 4.39Å; E241-F276 HydrophobicContact CB-CZ 4.31Å; E241-F276 HydrophobicContact CG-CB 4.32Å; E241-F276 HydrophobicContact CG-CD1 3.58Å; E241-F276 HydrophobicContact CG-CD2 4.25Å; E241-F276 HydrophobicContact CG-CE1 3.86Å; E241-F276 HydrophobicContact CG-CE2 4.49Å; E241-F276 HydrophobicContact CG-CG 3.79Å; E241-F276 HydrophobicContact CG-CZ 4.31Å
242F96.5Very high95.3Very high66 Ų6660.4 Ų60.429%0.28933%0.33SS..Hα-helixtrans-54.2-49.6171.3-79-68.7000111.9L238 K244 Y245 D246 Y273 F276 L277L238-F242 HydrophobicContact CB-CE2 4.45Å; L238-F242 WeakPolarHBondContact O-CD2 3.23Å; L238-F242 PolarHBondContact O-N 3.12Å; F242-K244 PolarHBondContact O-N 3.42Å; F242-K244 VanDerWaalsContact O-N 3.15Å; F242-Y245 PolarHBondContact O-N 2.88Å; F242-D246 VanDerWaalsContact O-CG 3.32Å; F242-D246 PolarHBondContact O-N 3.19Å; F242-Y273 AromaticContact CD1-CD1 3.76Å; F242-Y273 HydrophobicContact CD1-CD1 3.76Å; F242-Y273 AromaticContact CD1-CE1 3.79Å; F242-Y273 HydrophobicContact CD1-CE1 3.79Å; F242-Y273 HydrophobicContact CD1-CG 4.14Å; F242-Y273 AromaticContact CE1-CD1 3.87Å; F242-Y273 HydrophobicContact CE1-CD1 3.87Å; F242-Y273 HydrophobicContact CE1-CD2 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.25Å; F242-Y273 HydrophobicContact CE1-CE2 4.47Å; F242-Y273 AromaticContact CE1-CG 3.77Å; F242-Y273 HydrophobicContact CE1-CG 3.77Å; F242-F276 HydrophobicContact CD1-CE2 4.32Å; F242-F276 AromaticContact CD1-CZ 3.79Å; F242-F276 HydrophobicContact CD1-CZ 3.79Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.33Å; F242-F276 HydrophobicContact CE1-CE2 4.05Å; F242-F276 AromaticContact CE1-CZ 3.78Å; F242-F276 HydrophobicContact CE1-CZ 3.78Å; F242-F276 AromaticContact CE2-CE2 3.89Å; F242-F276 HydrophobicContact CE2-CE2 3.89Å; F242-F276 HydrophobicContact CE2-CZ 4.32Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.07Å; F242-F276 AromaticContact CZ-CE2 3.84Å; F242-F276 HydrophobicContact CZ-CE2 3.84Å; F242-F276 HydrophobicContact CZ-CZ 4.06Å; F242-L277 HydrophobicContact CE1-CD1 4.43Å; F242-L277 HydrophobicContact CE2-CD2 4.36Å; F242-L277 HydrophobicContact CZ-CD1 4.06Å; F242-L277 HydrophobicContact CZ-CD2 3.91Å; F242-L277 HydrophobicContact CZ-CG 4.26Å
243S96.9Very high95.1Very high60 Ų6062.5 Ų62.542%0.4234%0.34SS..Hα-helixtrans-57.7-34179.8-62.10000113V239 E241 T247V239-S243 PolarHBondContact O-N 2.91Å; V239-S243 PolarHBondContact O-OG 3.45Å; E241-S243 VanDerWaalsContact C-N 3.34Å; E241-S243 PolarHBondContact O-N 2.71Å; S243-T247 VanDerWaalsContact O-CB 3.26Å; S243-T247 WeakPolarHBondContact O-CB 3.37Å; S243-T247 PolarHBondContact O-N 3.32Å; S243-T247 PolarHBondContact O-OG1 2.99Å
244K95.1Very high95.1Very high81 Ų8166 Ų6635%0.35236%0.355SS..Hα-helixtrans-67.3-40.6176.1-71.9170-168.6166.30112.2K240 E241 F242 D248 W252K240-K244 WeakPolarHBondContact O-CG 3.35Å; K240-K244 PolarHBondContact O-N 2.85Å; E241-K244 WeakPolarHBondContact O-CB 3.4Å; E241-K244 PolarHBondContact O-N 2.9Å; E241-K244 VanDerWaalsContact O-N 3.14Å; E241-K244 IonicContact OE1-NZ 2.71Å; E241-K244 IonicContact OE2-NZ 2.82Å; E241-K244 PolarHBondContact OE2-NZ 3.15Å; F242-K244 PolarHBondContact O-N 3.42Å; F242-K244 VanDerWaalsContact O-N 3.15Å; K244-D248 PolarHBondContact O-N 2.82Å; K244-W252 HydrophobicContact CD-CZ2 4.48Å
245Y95.7Very high95Very high6 Ų672.2 Ų72.22%0.02438%0.384CS..Hα-helixtrans-69.8-37.7179.3-81.8-115.5000110.7Y233 E241 F242 G249 W252 I253 G272 Y273 R275 F276Y233-Y245 WeakPolarHBondContact OH-CE2 3.29Å; Y233-Y245 PolarHBondContact OH-OH 2.63Å; E241-Y245 HydrophobicContact CG-CE2 4.19Å; E241-Y245 VanDerWaalsContact O-CD2 3.28Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 PolarHBondContact O-N 3.16Å; F242-Y245 PolarHBondContact O-N 2.88Å; Y245-G249 WeakPolarHBondContact O-CA 3.35Å; Y245-G249 PolarHBondContact O-N 2.74Å; Y245-W252 HydrophobicContact CD1-CB 3.94Å; Y245-W252 HydrophobicContact CD2-CB 3.97Å; Y245-W252 HydrophobicContact CD2-CG 4.31Å; Y245-W252 HydrophobicContact CE1-CB 3.91Å; Y245-W252 HydrophobicContact CE2-CB 3.97Å; Y245-W252 HydrophobicContact CE2-CD2 4.48Å; Y245-W252 HydrophobicContact CE2-CE3 4.37Å; Y245-W252 HydrophobicContact CE2-CG 4.32Å; Y245-W252 HydrophobicContact CG-CB 3.96Å; Y245-I253 HydrophobicContact CD1-CD1 3.7Å; Y245-I253 HydrophobicContact CE1-CD1 4.22Å; Y245-G272 WeakPolarHBondContact CE1-O 3.25Å; Y245-Y273 HydrophobicContact CD1-CD1 4.04Å; Y245-Y273 HydrophobicContact CD1-CE1 4.28Å; Y245-Y273 HydrophobicContact CG-CD1 4.13Å; Y245-Y273 HydrophobicContact CG-CE1 4.15Å; Y245-R275 PolarHBondContact OH-NH1 2.96Å; Y245-F276 HydrophobicContact CD2-CD1 4.5Å; Y245-F276 AromaticContact CD2-CE1 3.87Å; Y245-F276 HydrophobicContact CD2-CE1 3.87Å; Y245-F276 HydrophobicContact CE1-CE1 4.37Å; Y245-F276 AromaticContact CE2-CD1 3.84Å; Y245-F276 HydrophobicContact CE2-CD1 3.84Å; Y245-F276 AromaticContact CE2-CE1 3.65Å; Y245-F276 HydrophobicContact CE2-CE1 3.65Å; Y245-F276 HydrophobicContact CG-CE1 4.31Å; Y245-F276 AromaticContact CZ-CD1 3.96Å; Y245-F276 AromaticContact CZ-CE1 3.92Å
246D94.5Very high94.9Very high104 Ų10473.2 Ų73.256%0.55639%0.388SS*.Hα-helixtrans-73-33.9179.1-59-16.6000112.1F242 Y273F242-D246 VanDerWaalsContact O-CG 3.32Å; F242-D246 PolarHBondContact O-N 3.19Å; D246-Y273 PolarHBondContact OD1-OH 3.3Å
247T94.6Very high95Very high124 Ų12473.2 Ų73.276%0.76139%0.387SS*.Hα-helixtrans-81.5-39.6180-53.40000112.7S243S243-T247 VanDerWaalsContact O-CB 3.26Å; S243-T247 WeakPolarHBondContact O-CB 3.37Å; S243-T247 PolarHBondContact O-N 3.32Å; S243-T247 PolarHBondContact O-OG1 2.99Å
248D92.6Very high95Very high61 Ų6170.4 Ų70.433%0.32637%0.373SS..SBendtrans-132.348.3-171.3-166.713.2000111.4K244 S250 K251 W252K244-D248 PolarHBondContact O-N 2.82Å; D248-S250 PolarHBondContact O-N 2.85Å; D248-K251 PolarHBondContact O-N 3Å; D248-K251 WeakPolarHBondContact OD2-CB 3.27Å; D248-K251 WeakPolarHBondContact OD2-CD 3.26Å; D248-W252 PolarHBondContact O-N 3.47Å
249G89.5Confident95Very high24 Ų2472.7 Ų72.725%0.24739%0.388CS..Hα-helixtrans-55.7-36.1-174.800000113.7Y245 K251 W252 I253Y245-G249 WeakPolarHBondContact O-CA 3.35Å; Y245-G249 PolarHBondContact O-N 2.74Å; G249-K251 PolarHBondContact O-N 3.03Å; G249-W252 PolarHBondContact O-N 3.27Å; G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.12Å; G249-I253 VanDerWaalsContact O-CG1 3.28Å; G249-I253 WeakPolarHBondContact O-CG1 3.26Å; G249-I253 PolarHBondContact O-N 3Å
250S90.6Very high94.8Very high115 Ų11568.9 Ų68.980%0.80436%0.364SS*.Hα-helixtrans-60.8-28.5179.166.20000113.4D248D248-S250 PolarHBondContact O-N 2.85Å
251K93.2Very high94.5Very high123 Ų12364.6 Ų64.654%0.53535%0.354SS..Hα-helixtrans-86.8-36178.2-172.7179.2-177.5175.30112.6D248 G249 K254D248-K251 PolarHBondContact O-N 3Å; D248-K251 WeakPolarHBondContact OD2-CB 3.27Å; D248-K251 WeakPolarHBondContact OD2-CD 3.26Å; G249-K251 PolarHBondContact O-N 3.03Å; K251-K254 PolarHBondContact O-NZ 3.3Å
252W93.9Very high94.2Very high66 Ų6670.4 Ų70.425%0.2538%0.384CS..Hα-helixtrans-97.3-34-169.6-66.5107000114.1K244 Y245 D248 G249 K254 R275K244-W252 HydrophobicContact CD-CZ2 4.48Å; Y245-W252 HydrophobicContact CD1-CB 3.94Å; Y245-W252 HydrophobicContact CD2-CB 3.97Å; Y245-W252 HydrophobicContact CD2-CG 4.31Å; Y245-W252 HydrophobicContact CE1-CB 3.91Å; Y245-W252 HydrophobicContact CE2-CB 3.97Å; Y245-W252 HydrophobicContact CE2-CD2 4.48Å; Y245-W252 HydrophobicContact CE2-CE3 4.37Å; Y245-W252 HydrophobicContact CE2-CG 4.32Å; Y245-W252 HydrophobicContact CG-CB 3.96Å; D248-W252 PolarHBondContact O-N 3.47Å; G249-W252 PolarHBondContact O-N 3.27Å; W252-K254 PolarHBondContact O-N 2.84Å; W252-R275 PolarHBondContact O-NH1 3.05Å
253I95.6Very high94Very high57 Ų5771.1 Ų71.129%0.29239%0.394SS..  trans-67.9131171-56.5-61.1000108.3Y245 G249 D270Y245-I253 HydrophobicContact CD1-CD1 3.7Å; Y245-I253 HydrophobicContact CE1-CD1 4.22Å; G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.12Å; G249-I253 VanDerWaalsContact O-CG1 3.28Å; G249-I253 WeakPolarHBondContact O-CG1 3.26Å; G249-I253 PolarHBondContact O-N 3Å; I253-D270 HydrophobicContact CG2-CB 3.88Å
254K96.7Very high93.9Very high82 Ų8275.7 Ų75.736%0.35741%0.406SS..EExtended strand (participates in β ladder)trans-111.4167.4176-60-56.8174.2-1580109.4F231 K251 W252 D270 V271F231-K254 HydrophobicContact CD1-CB 4.06Å; F231-K254 HydrophobicContact CD1-CG 4.23Å; F231-K254 HydrophobicContact CE1-CB 4.1Å; K251-K254 PolarHBondContact O-NZ 3.3Å; W252-K254 PolarHBondContact O-N 2.84Å; K254-D270 CarbonylContact O-C 3.51Å; K254-D270 WeakPolarHBondContact O-CA 3.26Å; K254-V271 HydrophobicContact CB-CB 4.31Å; K254-V271 PolarHBondContact N-O 2.87Å; K254-V271 PolarHBondContact O-N 3.28Å
255Q96.4Very high93.8Very high131 Ų13179.2 Ų79.261%0.61242%0.422SS*.EExtended strand (participates in β ladder)trans-118.1140.1174.2-73.2-173.5-21.200109.9T268 I269 D270Q255-T268 HydrophobicContact CB-CG2 4.19Å; Q255-T268 HydrophobicContact CG-CG2 4.45Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Q255-D270 VanDerWaalsContact CG-OD1 3.29Å; Q255-D270 WeakPolarHBondContact CG-OD1 3.39Å; Q255-D270 PolarHBondContact NE2-OD1 3Å
256Y97.1Very high93.9Very high23 Ų2386 Ų869%0.0945%0.454CS..EExtended strand (participates in β ladder)trans-117.7128.3170.3171.9-96.7000108.6T223 A226 F231 F267 T268 I269T223-Y256 HydrophobicContact CG2-CD1 3.93Å; T223-Y256 HydrophobicContact CG2-CE1 3.76Å; A226-Y256 HydrophobicContact CB-CE2 3.84Å; F231-Y256 HydrophobicContact CE2-CD2 4.05Å; Y256-F267 HydrophobicContact CE1-CE2 4.32Å; Y256-F267 HydrophobicContact CE1-CZ 4.37Å; Y256-T268 WeakPolarHBondContact O-CA 3.4Å; Y256-I269 HydrophobicContact CD1-CD1 4.07Å; Y256-I269 HydrophobicContact CD1-CG1 4.02Å; Y256-I269 PolarHBondContact N-O 2.91Å; Y256-I269 PolarHBondContact O-N 3.43Å
257T96.6Very high93.9Very high70 Ų7082 Ų8243%0.42943%0.431SS..EExtended strand (participates in β ladder)trans-113.4123.4174.2-56.80000108.8E266 F267 T268T257-E266 HydrophobicContact CG2-CB 3.95Å; T257-E266 HydrophobicContact CG2-CG 4.19Å; T257-F267 CarbonylContact C-O 3.55Å; T257-F267 VanDerWaalsContact CA-O 3.3Å; T257-F267 WeakPolarHBondContact CA-O 2.99Å; T257-T268 PolarHBondContact OG1-OG1 2.85Å
258G94.1Very high94Very high6 Ų679.5 Ų79.56%0.06242%0.416CS..EExtended strand (participates in β ladder)trans-113.4167.1172.300000111.1E266 F267G258-E266 CarbonylContact O-C 3.58Å; G258-E266 VanDerWaalsContact O-CA 3.29Å; G258-E266 WeakPolarHBondContact O-CA 3.38Å; G258-F267 PolarHBondContact N-O 2.77Å; G258-F267 WeakPolarHBondContact O-CD1 3.32Å; G258-F267 PolarHBondContact O-N 3.19Å
259V95.7Very high94.2Very high77 Ų7776.7 Ų76.747%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-109.4126.1173.9-178.60000108.4Q219 A261 E266Q219-V259 PolarHBondContact NE2-O 2.9Å; Q219-V259 VanDerWaalsContact NE2-O 3.09Å; Q219-V259 PolarHBondContact OE1-O 3.22Å; V259-A261 PolarHBondContact O-N 3.14Å; V259-E266 HydrophobicContact CG2-CG 4.25Å
260N92.8Very high94.6Very high27 Ų2778.7 Ų78.714%0.14441%0.406CS..  trans-64.1122.5176.4-179.2-61.7000109.7P216 Q219 I262 T263 K264 K265 F267P216-N260 HydrophobicContact CG-CB 4.17Å; P216-N260 WeakPolarHBondContact CG-ND2 3.34Å; Q219-N260 VanDerWaalsContact OE1-CA 3.26Å; N260-I262 PolarHBondContact O-N 2.86Å; N260-I262 WeakPolarHBondContact OD1-CA 3.33Å; N260-I262 WeakPolarHBondContact OD1-CB 3.32Å; N260-I262 PolarHBondContact OD1-N 3.21Å; N260-T263 VanDerWaalsContact CB-OG1 3.31Å; N260-T263 WeakPolarHBondContact CB-OG1 3.24Å; N260-T263 VanDerWaalsContact CG-OG1 3.24Å; N260-T263 PolarHBondContact OD1-N 2.97Å; N260-T263 PolarHBondContact OD1-OG1 2.81Å; N260-K264 VanDerWaalsContact O-CA 3.24Å; N260-K264 WeakPolarHBondContact O-CA 3.39Å; N260-K264 PolarHBondContact O-N 3.4Å; N260-K265 WeakPolarHBondContact CB-O 3.39Å; N260-K265 PolarHBondContact N-O 3.03Å; N260-F267 HydrophobicContact CB-CD1 4.49Å
261A90Very high94.9Very high48 Ų4873.2 Ų73.240%0.39737%0.368SS..THydrogen-bonded Turntrans-60.2-32.2-173.900000113.2Q219 V259 K264Q219-A261 HydrophobicContact CG-CB 4.46Å; V259-A261 PolarHBondContact O-N 3.14Å; A261-K264 WeakPolarHBondContact O-CE 3.24Å; A261-K264 PolarHBondContact O-NZ 3.38Å
262I90.4Very high95.1Very high127 Ų12767.3 Ų67.365%0.65134%0.342SS*.THydrogen-bonded Turntrans-89.1-56.8-176-57.1174.1000110.8N260 K264N260-I262 PolarHBondContact O-N 2.86Å; N260-I262 WeakPolarHBondContact OD1-CA 3.33Å; N260-I262 WeakPolarHBondContact OD1-CB 3.32Å; N260-I262 PolarHBondContact OD1-N 3.21Å; I262-K264 VanDerWaalsContact C-N 3.34Å
263T92.3Very high95.3Very high82 Ų8268 Ų6850%0.50335%0.345SS..THydrogen-bonded Turntrans-82.9-13-172.665.30000113.5N260 K265N260-T263 VanDerWaalsContact CB-OG1 3.31Å; N260-T263 WeakPolarHBondContact CB-OG1 3.24Å; N260-T263 VanDerWaalsContact CG-OG1 3.24Å; N260-T263 PolarHBondContact OD1-N 2.97Å; N260-T263 PolarHBondContact OD1-OG1 2.81Å; T263-K265 PolarHBondContact O-N 3.09Å; T263-K265 VanDerWaalsContact O-N 3.09Å
264K93.8Very high95.3Very high155 Ų15565.4 Ų65.467%0.67433%0.332SS*.  trans5814.5-174.4-53.5-55.3-171.8-166.60114.5N260 A261 I262N260-K264 VanDerWaalsContact O-CA 3.24Å; N260-K264 WeakPolarHBondContact O-CA 3.39Å; N260-K264 PolarHBondContact O-N 3.4Å; A261-K264 WeakPolarHBondContact O-CE 3.24Å; A261-K264 PolarHBondContact O-NZ 3.38Å; I262-K264 VanDerWaalsContact C-N 3.34Å
265K94.6Very high95.4Very high155 Ų15562.5 Ų62.567%0.67432%0.319SS*.  trans-90.1150.2173.3-66.8-174.1178.4-178.20110.6N260 T263N260-K265 WeakPolarHBondContact CB-O 3.39Å; N260-K265 PolarHBondContact N-O 3.03Å; T263-K265 PolarHBondContact O-N 3.09Å; T263-K265 VanDerWaalsContact O-N 3.09Å
266E96.1Very high95.5Very high149 Ų14956.3 Ų56.370%0.69629%0.29SS*.EExtended strand (participates in β ladder)trans-72.3145173.5-67.9177177.600111.2T257 G258 V259T257-E266 HydrophobicContact CG2-CB 3.95Å; T257-E266 HydrophobicContact CG2-CG 4.19Å; G258-E266 CarbonylContact O-C 3.58Å; G258-E266 VanDerWaalsContact O-CA 3.29Å; G258-E266 WeakPolarHBondContact O-CA 3.38Å; V259-E266 HydrophobicContact CG2-CG 4.25Å
267F95.7Very high95.5Very high20 Ų2056.2 Ų56.29%0.08829%0.291CS..EExtended strand (participates in β ladder)trans-125.4140.7164.969.6-88.6000108.4I215 P216 T223 Y256 T257 G258 N260 I269I215-F267 HydrophobicContact CG1-CE2 4.43Å; I215-F267 HydrophobicContact CG2-CE2 4.49Å; P216-F267 HydrophobicContact CG-CD1 4.05Å; P216-F267 HydrophobicContact CG-CE1 4.01Å; T223-F267 HydrophobicContact CG2-CE2 4.43Å; Y256-F267 HydrophobicContact CE1-CE2 4.32Å; Y256-F267 HydrophobicContact CE1-CZ 4.37Å; T257-F267 CarbonylContact C-O 3.55Å; T257-F267 VanDerWaalsContact CA-O 3.3Å; T257-F267 WeakPolarHBondContact CA-O 2.99Å; G258-F267 PolarHBondContact N-O 2.77Å; G258-F267 WeakPolarHBondContact O-CD1 3.32Å; G258-F267 PolarHBondContact O-N 3.19Å; N260-F267 HydrophobicContact CB-CD1 4.49Å; F267-I269 HydrophobicContact CD2-CG2 4.37Å
268T96.7Very high95.6Very high71 Ų7152.9 Ų52.944%0.43627%0.27SS..EExtended strand (participates in β ladder)trans-123.7137.4-179.5-60.50000109.1Q255 Y256 T257Q255-T268 HydrophobicContact CB-CG2 4.19Å; Q255-T268 HydrophobicContact CG-CG2 4.45Å; Y256-T268 WeakPolarHBondContact O-CA 3.4Å; T257-T268 PolarHBondContact OG1-OG1 2.85Å
269I97.2Very high95.8Very high2 Ų252.6 Ų52.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-129153.2176.361.2174.1000110.6L208 E212 I215 T223 Q255 Y256 F267 V271L208-I269 HydrophobicContact CD1-CD1 4.46Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; E212-I269 HydrophobicContact CB-CB 4.32Å; E212-I269 HydrophobicContact CB-CG2 4.12Å; E212-I269 HydrophobicContact CG-CB 4.09Å; E212-I269 HydrophobicContact CG-CG2 4.44Å; E212-I269 WeakPolarHBondContact OE2-CB 3.35Å; I215-I269 HydrophobicContact CD1-CD1 3.84Å; I215-I269 HydrophobicContact CD1-CG2 4.06Å; I215-I269 HydrophobicContact CG1-CD1 4.29Å; I215-I269 HydrophobicContact CG1-CG2 3.59Å; T223-I269 HydrophobicContact CG2-CD1 3.51Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Y256-I269 HydrophobicContact CD1-CD1 4.07Å; Y256-I269 HydrophobicContact CD1-CG1 4.02Å; Y256-I269 PolarHBondContact N-O 2.91Å; Y256-I269 PolarHBondContact O-N 3.43Å; F267-I269 HydrophobicContact CD2-CG2 4.37Å; I269-V271 HydrophobicContact CG1-CG2 4.5Å
270D97.2Very high95.9Very high66 Ų6649 Ų4935%0.35325%0.245SC..EExtended strand (participates in β ladder)trans-82.9143169.9-71.1-26.9000109.7R211 E212 I253 K254 Q255R211-D270 PolarHBondContact NH2-O 3.46Å; E212-D270 VanDerWaalsContact CD-O 3.25Å; E212-D270 PolarHBondContact OE2-N 3.43Å; I253-D270 HydrophobicContact CG2-CB 3.88Å; K254-D270 CarbonylContact O-C 3.51Å; K254-D270 WeakPolarHBondContact O-CA 3.26Å; Q255-D270 VanDerWaalsContact CG-OD1 3.29Å; Q255-D270 WeakPolarHBondContact CG-OD1 3.39Å; Q255-D270 PolarHBondContact NE2-OD1 3Å
271V97.7Very high96.1Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-121.3111-177.3-177.90000109.2V227 F231 K254 I269 E274 R275V227-V271 HydrophobicContact CG1-CG1 3.71Å; V227-V271 HydrophobicContact CG2-CG1 4.49Å; V227-V271 HydrophobicContact CG2-CG2 4Å; F231-V271 HydrophobicContact CB-CG1 3.96Å; F231-V271 HydrophobicContact CD2-CG1 4.13Å; F231-V271 HydrophobicContact CD2-CG2 4.47Å; F231-V271 HydrophobicContact CG-CG1 4.11Å; K254-V271 HydrophobicContact CB-CB 4.31Å; K254-V271 PolarHBondContact N-O 2.87Å; K254-V271 PolarHBondContact O-N 3.28Å; I269-V271 HydrophobicContact CG1-CG2 4.5Å; V271-E274 WeakPolarHBondContact CA-OE1 3.37Å; V271-E274 HydrophobicContact CG1-CG 4.48Å; V271-R275 HydrophobicContact CG1-CG 3.64Å
272G96.9Very high96.5Very high0 Ų045.4 Ų45.40%022%0.22CC..  trans-126-118.4-163.900000114.1Y245 E274 R275Y245-G272 WeakPolarHBondContact CE1-O 3.25Å; G272-E274 VanDerWaalsContact C-N 3.29Å; G272-E274 WeakPolarHBondContact CA-OE2 3.36Å; G272-E274 VanDerWaalsContact N-CD 3.28Å; G272-E274 PolarHBondContact N-OE1 3.08Å; G272-E274 PolarHBondContact N-OE2 3.37Å; G272-E274 PolarHBondContact O-N 3.47Å; G272-R275 VanDerWaalsContact O-CB 3.26Å; G272-R275 WeakPolarHBondContact O-CB 3.34Å; G272-R275 WeakPolarHBondContact O-CD 3.16Å; G272-R275 WeakPolarHBondContact O-CG 3.25Å; G272-R275 PolarHBondContact O-N 3.07Å; G272-R275 VanDerWaalsContact O-N 3.17Å
273Y97.4Very high96.9Very high81 Ų8139.5 Ų39.532%0.31819%0.189SC..THydrogen-bonded Turntrans-63.1-29.8-171.8-54-46.4000114.3F242 Y245 D246 R275 F276 L277F242-Y273 AromaticContact CD1-CD1 3.76Å; F242-Y273 HydrophobicContact CD1-CD1 3.76Å; F242-Y273 AromaticContact CD1-CE1 3.79Å; F242-Y273 HydrophobicContact CD1-CE1 3.79Å; F242-Y273 HydrophobicContact CD1-CG 4.14Å; F242-Y273 AromaticContact CE1-CD1 3.87Å; F242-Y273 HydrophobicContact CE1-CD1 3.87Å; F242-Y273 HydrophobicContact CE1-CD2 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.25Å; F242-Y273 HydrophobicContact CE1-CE2 4.47Å; F242-Y273 AromaticContact CE1-CG 3.77Å; F242-Y273 HydrophobicContact CE1-CG 3.77Å; Y245-Y273 HydrophobicContact CD1-CD1 4.04Å; Y245-Y273 HydrophobicContact CD1-CE1 4.28Å; Y245-Y273 HydrophobicContact CG-CD1 4.13Å; Y245-Y273 HydrophobicContact CG-CE1 4.15Å; D246-Y273 PolarHBondContact OD1-OH 3.3Å; Y273-R275 PolarHBondContact O-N 3.5Å; Y273-F276 AromaticContact CD1-CE1 3.98Å; Y273-F276 HydrophobicContact CD1-CE1 3.98Å; Y273-F276 AromaticContact CD1-CZ 3.87Å; Y273-F276 HydrophobicContact CD1-CZ 3.87Å; Y273-F276 HydrophobicContact CG-CZ 4.33Å; Y273-F276 PolarHBondContact O-N 3.38Å; Y273-L277 WeakPolarHBondContact O-CB 3.14Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.21Å
274E97.1Very high97.1Very high1 Ų138.3 Ų38.31%0.00518%0.178CC..Hα-helixtrans-55.6-20.8175.167.4-82.5-164.400113.2T204 L207 L208 R211 V227 V271 G272 F276 G278T204-E274 HydrophobicContact CG2-CB 4.19Å; T204-E274 HydrophobicContact CG2-CG 4.19Å; L207-E274 HydrophobicContact CB-CB 4.14Å; L207-E274 HydrophobicContact CD1-CB 3.7Å; L208-E274 HydrophobicContact CD2-CG 4.29Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.05Å; R211-E274 IonicContact CZ-OE1 3.71Å; R211-E274 IonicContact CZ-OE2 3.41Å; R211-E274 IonicContact NH1-OE1 3.74Å; R211-E274 IonicContact NH1-OE2 2.68Å; R211-E274 PolarHBondContact NH1-OE2 2.95Å; R211-E274 IonicContact NH2-OE1 2.8Å; R211-E274 PolarHBondContact NH2-OE1 3.44Å; R211-E274 IonicContact NH2-OE2 3.25Å; R211-E274 PolarHBondContact NH2-OE2 2.95Å; V227-E274 HydrophobicContact CG1-CG 3.93Å; V271-E274 WeakPolarHBondContact CA-OE1 3.37Å; V271-E274 HydrophobicContact CG1-CG 4.48Å; G272-E274 VanDerWaalsContact C-N 3.29Å; G272-E274 WeakPolarHBondContact CA-OE2 3.36Å; G272-E274 VanDerWaalsContact N-CD 3.28Å; G272-E274 PolarHBondContact N-OE1 3.08Å; G272-E274 PolarHBondContact N-OE2 3.37Å; G272-E274 PolarHBondContact O-N 3.47Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.02Å; E274-G278 PolarHBondContact O-N 3.08Å
275R97.9Very high97.3Very high22 Ų2230.9 Ų30.98%0.08315%0.145CC..Hα-helixtrans-59.2-42.8174.2-64.6179.266.6-154.8-6.2112.1F231 S232 Y233 Y245 W252 V271 G272 Y273F231-R275 HydrophobicContact CB-CG 4.01Å; F231-R275 PolarHBondContact O-NE 3.36Å; F231-R275 PolarHBondContact O-NH2 3.11Å; S232-R275 CarbonylContact C-O 3.57Å; S232-R275 WeakPolarHBondContact CA-O 3.23Å; S232-R275 WeakPolarHBondContact CB-O 3.15Å; Y233-R275 HydrophobicContact CD1-CB 4.25Å; Y233-R275 HydrophobicContact CE1-CB 3.85Å; Y233-R275 PolarHBondContact N-O 2.86Å; Y245-R275 PolarHBondContact OH-NH1 2.96Å; W252-R275 PolarHBondContact O-NH1 3.05Å; V271-R275 HydrophobicContact CG1-CG 3.64Å; G272-R275 VanDerWaalsContact O-CB 3.26Å; G272-R275 WeakPolarHBondContact O-CB 3.34Å; G272-R275 WeakPolarHBondContact O-CD 3.16Å; G272-R275 WeakPolarHBondContact O-CG 3.25Å; G272-R275 PolarHBondContact O-N 3.07Å; G272-R275 VanDerWaalsContact O-N 3.17Å; Y273-R275 PolarHBondContact O-N 3.5Å
276F97.9Very high97.3Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-103.5-27.917860.6-95.4000113Y233 C235 L238 E241 F242 Y245 Y273 E274 E280Y233-F276 HydrophobicContact CE2-CB 4.33Å; Y233-F276 WeakPolarHBondContact O-CA 3.4Å; C235-F276 HydrophobicContact CB-CB 3.95Å; L238-F276 HydrophobicContact CD2-CD2 3.8Å; L238-F276 HydrophobicContact CD2-CE2 4.05Å; E241-F276 HydrophobicContact CB-CD1 4.4Å; E241-F276 HydrophobicContact CB-CD2 4.35Å; E241-F276 HydrophobicContact CB-CE1 4.35Å; E241-F276 HydrophobicContact CB-CE2 4.31Å; E241-F276 HydrophobicContact CB-CG 4.39Å; E241-F276 HydrophobicContact CB-CZ 4.31Å; E241-F276 HydrophobicContact CG-CB 4.32Å; E241-F276 HydrophobicContact CG-CD1 3.58Å; E241-F276 HydrophobicContact CG-CD2 4.25Å; E241-F276 HydrophobicContact CG-CE1 3.86Å; E241-F276 HydrophobicContact CG-CE2 4.49Å; E241-F276 HydrophobicContact CG-CG 3.79Å; E241-F276 HydrophobicContact CG-CZ 4.31Å; F242-F276 HydrophobicContact CD1-CE2 4.32Å; F242-F276 AromaticContact CD1-CZ 3.79Å; F242-F276 HydrophobicContact CD1-CZ 3.79Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.33Å; F242-F276 HydrophobicContact CE1-CE2 4.05Å; F242-F276 AromaticContact CE1-CZ 3.78Å; F242-F276 HydrophobicContact CE1-CZ 3.78Å; F242-F276 AromaticContact CE2-CE2 3.89Å; F242-F276 HydrophobicContact CE2-CE2 3.89Å; F242-F276 HydrophobicContact CE2-CZ 4.32Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.07Å; F242-F276 AromaticContact CZ-CE2 3.84Å; F242-F276 HydrophobicContact CZ-CE2 3.84Å; F242-F276 HydrophobicContact CZ-CZ 4.06Å; Y245-F276 HydrophobicContact CD2-CD1 4.5Å; Y245-F276 AromaticContact CD2-CE1 3.87Å; Y245-F276 HydrophobicContact CD2-CE1 3.87Å; Y245-F276 HydrophobicContact CE1-CE1 4.37Å; Y245-F276 AromaticContact CE2-CD1 3.84Å; Y245-F276 HydrophobicContact CE2-CD1 3.84Å; Y245-F276 AromaticContact CE2-CE1 3.65Å; Y245-F276 HydrophobicContact CE2-CE1 3.65Å; Y245-F276 HydrophobicContact CG-CE1 4.31Å; Y245-F276 AromaticContact CZ-CD1 3.96Å; Y245-F276 AromaticContact CZ-CE1 3.92Å; Y273-F276 AromaticContact CD1-CE1 3.98Å; Y273-F276 HydrophobicContact CD1-CE1 3.98Å; Y273-F276 AromaticContact CD1-CZ 3.87Å; Y273-F276 HydrophobicContact CD1-CZ 3.87Å; Y273-F276 HydrophobicContact CG-CZ 4.33Å; Y273-F276 PolarHBondContact O-N 3.38Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.02Å; F276-E280 WeakPolarHBondContact O-CB 3.3Å; F276-E280 PolarHBondContact O-N 2.98Å
277L97.9Very high97.2Very high22 Ų2224.9 Ų24.912%0.11512%0.118CC..Hα-helixtrans-67.8-36.9177.2-71.3175.9000112.7F203 L207 L238 F242 Y273 E280F203-L277 HydrophobicContact CE1-CB 4.1Å; F203-L277 WeakPolarHBondContact CE1-O 3.31Å; L207-L277 HydrophobicContact CD1-CB 3.93Å; L207-L277 HydrophobicContact CD1-CD1 4.1Å; L238-L277 HydrophobicContact CD2-CD2 4.15Å; F242-L277 HydrophobicContact CE1-CD1 4.43Å; F242-L277 HydrophobicContact CE2-CD2 4.36Å; F242-L277 HydrophobicContact CZ-CD1 4.06Å; F242-L277 HydrophobicContact CZ-CD2 3.91Å; F242-L277 HydrophobicContact CZ-CG 4.26Å; Y273-L277 WeakPolarHBondContact O-CB 3.14Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.21Å; L277-E280 WeakPolarHBondContact O-CB 3.38Å; L277-E280 PolarHBondContact O-N 2.78Å
278G97.5Very high97Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-53.4-59.9178.900000112.2E274 E280 I281E274-G278 PolarHBondContact O-N 3.08Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 2.8Å; G278-I281 WeakPolarHBondContact O-CG1 3.19Å
279P98.1Very high96.8Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-71.2-16.1177.8-2336.5000115V234 I281 F282 F328V234-P279 HydrophobicContact CG2-CB 3.75Å; P279-I281 PolarHBondContact O-N 3.21Å; P279-F282 PolarHBondContact O-N 3.28Å; P279-F328 HydrophobicContact CB-CB 4.47Å; P279-F328 HydrophobicContact CB-CD1 4.23Å; P279-F328 HydrophobicContact CB-CD2 4.01Å; P279-F328 HydrophobicContact CB-CE2 4.32Å; P279-F328 HydrophobicContact CB-CG 3.97Å; P279-F328 HydrophobicContact CG-CD1 3.55Å; P279-F328 HydrophobicContact CG-CD2 4.18Å; P279-F328 HydrophobicContact CG-CE1 3.68Å; P279-F328 HydrophobicContact CG-CE2 4.31Å; P279-F328 HydrophobicContact CG-CG 3.82Å; P279-F328 HydrophobicContact CG-CZ 4.07Å
280E98.3Very high96.5Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-66-23.9-178.1-167.967.6-156.700112.3L238 F276 L277 G278 F282 F283 H284 F287 R334L238-E280 HydrophobicContact CD1-CG 3.84Å; L238-E280 HydrophobicContact CD2-CB 4.31Å; L238-E280 HydrophobicContact CD2-CG 3.72Å; L238-E280 HydrophobicContact CG-CG 4.1Å; F276-E280 WeakPolarHBondContact O-CB 3.3Å; F276-E280 PolarHBondContact O-N 2.98Å; L277-E280 WeakPolarHBondContact O-CB 3.38Å; L277-E280 PolarHBondContact O-N 2.78Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 2.8Å; E280-F282 PolarHBondContact O-N 3.41Å; E280-F283 CarbonylContact O-C 3.53Å; E280-F283 WeakPolarHBondContact O-CA 3.3Å; E280-F283 PolarHBondContact O-N 2.91Å; E280-H284 PolarHBondContact O-N 2.93Å; E280-H284 IonicContact OE1-CE1 2.92Å; E280-H284 PolarHBondContact OE1-CE1 3.18Å; E280-H284 IonicContact OE1-ND1 3.42Å; E280-H284 PolarHBondContact OE1-ND1 3.36Å; E280-F287 HydrophobicContact CG-CE2 4.2Å; E280-R334 IonicContact OE1-CZ 2.62Å; E280-R334 IonicContact OE1-NH1 3.57Å; E280-R334 PolarHBondContact OE1-NH1 2.89Å; E280-R334 IonicContact OE1-NH2 3.51Å; E280-R334 PolarHBondContact OE1-NH2 2.89Å; E280-R334 IonicContact OE2-CZ 3.19Å; E280-R334 IonicContact OE2-NH1 3.35Å; E280-R334 PolarHBondContact OE2-NH1 2.97Å
281I97.9Very high96.3Very high0 Ų033.5 Ų33.50%018%0.175CC..THydrogen-bonded Turntrans-62.5-12.7179.173.8178.7000113.6I195 D199 I200 F203 G278 P279 F283 P285 F287 A288I195-I281 HydrophobicContact CD1-CD1 4.49Å; I195-I281 HydrophobicContact CG2-CD1 3.92Å; I195-I281 HydrophobicContact CG2-CG1 3.71Å; D199-I281 HydrophobicContact CB-CD1 4.38Å; I200-I281 HydrophobicContact CB-CD1 4.3Å; I200-I281 HydrophobicContact CG1-CD1 3.63Å; I200-I281 HydrophobicContact CG1-CG1 3.99Å; F203-I281 HydrophobicContact CB-CD1 4.45Å; F203-I281 HydrophobicContact CD1-CG2 3.55Å; F203-I281 HydrophobicContact CE1-CG2 3.67Å; F203-I281 HydrophobicContact CG-CG2 4.19Å; F203-I281 HydrophobicContact CZ-CG2 4.4Å; G278-I281 WeakPolarHBondContact O-CG1 3.19Å; P279-I281 PolarHBondContact O-N 3.21Å; I281-F283 VanDerWaalsContact C-N 3.34Å; I281-P285 WeakPolarHBondContact O-CA 3.09Å; I281-P285 WeakPolarHBondContact O-CG 3.29Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.41Å; I281-A288 HydrophobicContact CD1-CB 4.21Å; I281-A288 HydrophobicContact CG2-CB 4.03Å
282F98.2Very high96.2Very high1 Ų135.2 Ų35.20%0.00418%0.183CC..THydrogen-bonded Turntrans-70.2-32.7167-80.6-64.6000113.1S170 T175 I195 I200 P279 E280 I296 F328 F331S170-F282 VanDerWaalsContact OG-CZ 3.3Å; S170-F282 WeakPolarHBondContact OG-CZ 3.26Å; T175-F282 HydrophobicContact CG2-CE1 4.38Å; I195-F282 HydrophobicContact CG2-CD1 3.94Å; I195-F282 HydrophobicContact CG2-CE1 3.93Å; I195-F282 HydrophobicContact CG2-CG 4.43Å; I195-F282 HydrophobicContact CG2-CZ 4.47Å; I200-F282 HydrophobicContact CD1-CD2 4.11Å; I200-F282 HydrophobicContact CD1-CE2 3.36Å; I200-F282 HydrophobicContact CD1-CZ 3.88Å; I200-F282 HydrophobicContact CG1-CE2 4.48Å; P279-F282 PolarHBondContact O-N 3.28Å; E280-F282 PolarHBondContact O-N 3.41Å; F282-I296 HydrophobicContact CB-CG2 4.18Å; F282-I296 HydrophobicContact CD1-CD1 4.27Å; F282-I296 WeakPolarHBondContact O-CB 3.39Å; F282-I296 WeakPolarHBondContact O-CG2 3.41Å; F282-I296 PolarHBondContact O-N 3.15Å; F282-F328 HydrophobicContact CE2-CD2 4.48Å; F282-F328 HydrophobicContact CE2-CE2 4.21Å; F282-F331 HydrophobicContact CB-CE2 4.18Å; F282-F331 HydrophobicContact CD1-CE2 4.48Å; F282-F331 HydrophobicContact CD2-CD2 4.36Å; F282-F331 AromaticContact CD2-CE2 3.6Å; F282-F331 HydrophobicContact CD2-CE2 3.6Å; F282-F331 AromaticContact CE2-CE2 3.99Å; F282-F331 HydrophobicContact CE2-CE2 3.99Å; F282-F331 AromaticContact CG-CE2 3.86Å; F282-F331 HydrophobicContact CG-CE2 3.86Å
283F98.1Very high96.2Very high3 Ų339.6 Ų39.61%0.01321%0.209CC..THydrogen-bonded Turntrans-101.4-21.3-175.9-55.6-79.1000112.3V234 E280 I281 P295 I296 F331 R334 L335V234-F283 HydrophobicContact CG1-CD2 4.36Å; V234-F283 HydrophobicContact CG1-CE2 3.72Å; V234-F283 HydrophobicContact CG1-CZ 4.37Å; V234-F283 HydrophobicContact CG2-CE2 4.16Å; E280-F283 CarbonylContact O-C 3.53Å; E280-F283 WeakPolarHBondContact O-CA 3.3Å; E280-F283 PolarHBondContact O-N 2.91Å; I281-F283 VanDerWaalsContact C-N 3.34Å; F283-P295 VanDerWaalsContact O-CB 3.28Å; F283-P295 WeakPolarHBondContact O-CB 3.46Å; F283-P295 WeakPolarHBondContact O-CG 3.34Å; F283-I296 HydrophobicContact CD1-CG2 3.71Å; F283-I296 HydrophobicContact CE1-CG2 3.56Å; F283-I296 HydrophobicContact CG-CG2 4.46Å; F283-I296 HydrophobicContact CZ-CG2 4.21Å; F283-F331 HydrophobicContact CE2-CD2 4.24Å; F283-F331 HydrophobicContact CE2-CE2 4.32Å; F283-F331 HydrophobicContact CZ-CD2 4.18Å; F283-F331 HydrophobicContact CZ-CE2 4.17Å; F283-R334 HydrophobicContact CD1-CG 3.87Å; F283-R334 HydrophobicContact CD2-CG 4.06Å; F283-R334 HydrophobicContact CE1-CB 4.24Å; F283-R334 HydrophobicContact CE1-CG 3.46Å; F283-R334 VanDerWaalsContact CE1-CG 3.46Å; F283-R334 HydrophobicContact CE2-CB 4.34Å; F283-R334 HydrophobicContact CE2-CG 3.68Å; F283-R334 HydrophobicContact CG-CG 4.16Å; F283-R334 HydrophobicContact CZ-CB 3.86Å; F283-R334 HydrophobicContact CZ-CG 3.36Å; F283-L335 HydrophobicContact CE1-CB 4.4Å
284H97.7Very high96.2Very high56 Ų5638.1 Ų38.126%0.25921%0.205SC..  trans-13673.4171.8-60.895.8000109.8E280 E286 F287E280-H284 PolarHBondContact O-N 2.93Å; E280-H284 IonicContact OE1-CE1 2.92Å; E280-H284 PolarHBondContact OE1-CE1 3.18Å; E280-H284 IonicContact OE1-ND1 3.42Å; E280-H284 PolarHBondContact OE1-ND1 3.36Å; H284-E286 WeakPolarHBondContact CA-OE2 3.45Å; H284-E286 IonicContact CD2-OE1 3.97Å; H284-E286 PolarHBondContact O-N 3.2Å; H284-F287 HydrophobicContact CB-CD1 4.32Å; H284-F287 HydrophobicContact CB-CD2 4.16Å; H284-F287 HydrophobicContact CB-CE1 4.14Å; H284-F287 HydrophobicContact CB-CE2 3.98Å; H284-F287 HydrophobicContact CB-CG 4.32Å; H284-F287 HydrophobicContact CB-CZ 3.97Å; H284-F287 PolarHBondContact O-N 3.15Å
285P96.6Very high96.3Very high0 Ų039.1 Ų39.10%021%0.212CC..G310 helixtrans-60.4-24.5-176.1-21.734.1000114.4I195 I281 F287 A288 N289 F292 Q294I195-P285 HydrophobicContact CD1-CB 4.35Å; I195-P285 HydrophobicContact CG1-CB 4.15Å; I281-P285 WeakPolarHBondContact O-CA 3.09Å; I281-P285 WeakPolarHBondContact O-CG 3.29Å; P285-F287 PolarHBondContact O-N 3.37Å; P285-A288 PolarHBondContact O-N 3.4Å; P285-N289 PolarHBondContact O-N 3.23Å; P285-F292 HydrophobicContact CB-CD1 3.67Å; P285-F292 HydrophobicContact CB-CE1 4.21Å; P285-F292 WeakPolarHBondContact CB-O 3.33Å; P285-F292 HydrophobicContact CG-CD1 3.89Å; P285-F292 HydrophobicContact CG-CE1 3.92Å; P285-Q294 WeakPolarHBondContact CG-O 3.42Å
286E95.4Very high96.3Very high90 Ų9038 Ų3842%0.42121%0.208SC..G310 helixtrans-58.6-16178.165.8-91.4-147.800113.8H284 A288 T293H284-E286 WeakPolarHBondContact CA-OE2 3.45Å; H284-E286 IonicContact CD2-OE1 3.97Å; H284-E286 PolarHBondContact O-N 3.2Å; E286-A288 VanDerWaalsContact C-N 3.32Å; E286-T293 HydrophobicContact CB-CG2 4.13Å
287F93.8Very high96.3Very high87 Ų8738.4 Ų38.438%0.38221%0.21SC..G310 helixtrans-70.4-27.2175.6-70.6-1.8000113.5F203 L238 E280 I281 H284 P285F203-F287 HydrophobicContact CZ-CB 4.18Å; L238-F287 HydrophobicContact CD1-CE2 3.99Å; L238-F287 HydrophobicContact CD1-CZ 4.08Å; E280-F287 HydrophobicContact CG-CE2 4.2Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; H284-F287 HydrophobicContact CB-CD1 4.32Å; H284-F287 HydrophobicContact CB-CD2 4.16Å; H284-F287 HydrophobicContact CB-CE1 4.14Å; H284-F287 HydrophobicContact CB-CE2 3.98Å; H284-F287 HydrophobicContact CB-CG 4.32Å; H284-F287 HydrophobicContact CB-CZ 3.97Å; H284-F287 PolarHBondContact O-N 3.15Å; P285-F287 PolarHBondContact O-N 3.37Å
288A92.1Very high96.3Very high44 Ų4441.6 Ų41.636%0.36423%0.225SC..THydrogen-bonded Turntrans-128.9-20.7-174.700000113.5F203 I281 P285 E286F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 4Å; F203-A288 HydrophobicContact CG-CB 4.17Å; I281-A288 HydrophobicContact CB-CB 4.41Å; I281-A288 HydrophobicContact CD1-CB 4.21Å; I281-A288 HydrophobicContact CG2-CB 4.03Å; P285-A288 PolarHBondContact O-N 3.4Å; E286-A288 VanDerWaalsContact C-N 3.32Å
289N91.7Very high96.3Very high29 Ų2941.8 Ų41.816%0.15523%0.226CC..  trans-124.7114.1-178-165.6-38.4000110.4P194 I195 P285 D291 F292P194-N289 PolarHBondContact O-ND2 2.62Å; I195-N289 HydrophobicContact CD1-CB 3.97Å; P285-N289 PolarHBondContact O-N 3.23Å; N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 3.09Å; N289-D291 PolarHBondContact OD1-N 2.78Å; N289-F292 HydrophobicContact CB-CB 4.45Å; N289-F292 VanDerWaalsContact O-O 3.08Å; N289-F292 PolarHBondContact OD1-N 2.58Å
290P90.7Very high96.4Very high115 Ų11541.8 Ų41.875%0.74723%0.226SC*.SBendtrans-73.2-22.4-179.930.1-34.6000113.2
291D94.3Very high96.4Very high152 Ų15242.6 Ų42.681%0.81323%0.23SC*.SBendtrans-93.5-10.8-173.7-60.3-40.7000112.7N289N289-D291 VanDerWaalsContact C-N 3.3Å; N289-D291 PolarHBondContact O-N 3.09Å; N289-D291 PolarHBondContact OD1-N 2.78Å
292F95Very high96.4Very high37 Ų3745.1 Ų45.116%0.16224%0.242CC..  trans-136.3124.5-176.8-171.2-92.4000111I193 P194 P285 N289 Q294 V299I193-F292 HydrophobicContact CB-CZ 4.49Å; I193-F292 HydrophobicContact CG1-CZ 4.34Å; I193-F292 HydrophobicContact CG2-CD1 4.38Å; I193-F292 HydrophobicContact CG2-CE1 3.68Å; I193-F292 HydrophobicContact CG2-CZ 4.04Å; P194-F292 HydrophobicContact CG-CB 3.58Å; P194-F292 HydrophobicContact CG-CD1 4.08Å; P194-F292 HydrophobicContact CG-CD2 3.84Å; P194-F292 HydrophobicContact CG-CG 3.55Å; P285-F292 HydrophobicContact CB-CD1 3.67Å; P285-F292 HydrophobicContact CB-CE1 4.21Å; P285-F292 WeakPolarHBondContact CB-O 3.33Å; P285-F292 HydrophobicContact CG-CD1 3.89Å; P285-F292 HydrophobicContact CG-CE1 3.92Å; N289-F292 HydrophobicContact CB-CB 4.45Å; N289-F292 VanDerWaalsContact O-O 3.08Å; N289-F292 PolarHBondContact OD1-N 2.58Å; F292-Q294 HydrophobicContact CE1-CB 4.21Å; F292-Q294 WeakPolarHBondContact CE1-O 3.34Å; F292-Q294 HydrophobicContact CE2-CB 4.35Å; F292-Q294 HydrophobicContact CZ-CB 3.86Å; F292-V299 HydrophobicContact CZ-CG2 4.03Å
293T96.4Very high96.4Very high91 Ų9145.1 Ų45.156%0.55824%0.242SC*.  trans-126-4.9-173.360.30000113.8E286 P295E286-T293 HydrophobicContact CB-CG2 4.13Å; T293-P295 WeakPolarHBondContact O-CD 3.08Å
294Q97.6Very high96.4Very high50 Ų5045 Ų4523%0.23424%0.241CC..  trans-81.4120.1-171.5-168.8-178.78.400111.4P285 F292 E298 V299 E302P285-Q294 WeakPolarHBondContact CG-O 3.42Å; F292-Q294 HydrophobicContact CE1-CB 4.21Å; F292-Q294 WeakPolarHBondContact CE1-O 3.34Å; F292-Q294 HydrophobicContact CE2-CB 4.35Å; F292-Q294 HydrophobicContact CZ-CB 3.86Å; Q294-E298 HydrophobicContact CG-CB 3.92Å; Q294-V299 HydrophobicContact CB-CG2 4.19Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; Q294-E302 PolarHBondContact NE2-OE2 2.76Å
295P98.1Very high96.5Very high22 Ų2244.8 Ų44.814%0.14324%0.241CC..  trans-60.2146.7177.4-24.935.3000112.7F283 T293 S297 E298 V299F283-P295 VanDerWaalsContact O-CB 3.28Å; F283-P295 WeakPolarHBondContact O-CB 3.46Å; F283-P295 WeakPolarHBondContact O-CG 3.34Å; T293-P295 WeakPolarHBondContact O-CD 3.08Å; P295-S297 PolarHBondContact O-N 2.84Å; P295-S297 VanDerWaalsContact O-N 3.1Å; P295-E298 HydrophobicContact CB-CG 4.44Å; P295-E298 HydrophobicContact CG-CG 4.45Å; P295-E298 WeakPolarHBondContact O-CB 3.36Å; P295-E298 PolarHBondContact O-N 2.8Å; P295-V299 PolarHBondContact O-N 2.91Å; P295-V299 VanDerWaalsContact O-N 3.09Å
296I98.3Very high96.5Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-54.8-34.6178.9-172.4167.4000113.5I168 T175 I193 F282 F283 E298 V299 V300 F331 L335I168-I296 HydrophobicContact CG2-CD1 3.89Å; T175-I296 HydrophobicContact CG2-CD1 4.38Å; I193-I296 HydrophobicContact CD1-CB 4.03Å; I193-I296 HydrophobicContact CD1-CD1 4.15Å; I193-I296 HydrophobicContact CD1-CG1 3.68Å; F282-I296 HydrophobicContact CB-CG2 4.18Å; F282-I296 HydrophobicContact CD1-CD1 4.27Å; F282-I296 WeakPolarHBondContact O-CB 3.39Å; F282-I296 WeakPolarHBondContact O-CG2 3.41Å; F282-I296 PolarHBondContact O-N 3.15Å; F283-I296 HydrophobicContact CD1-CG2 3.71Å; F283-I296 HydrophobicContact CE1-CG2 3.56Å; F283-I296 HydrophobicContact CG-CG2 4.46Å; F283-I296 HydrophobicContact CZ-CG2 4.21Å; I296-E298 VanDerWaalsContact C-N 3.3Å; I296-E298 PolarHBondContact O-N 3.43Å; I296-V299 PolarHBondContact O-N 2.99Å; I296-V300 HydrophobicContact CG1-CG2 4.34Å; I296-V300 VanDerWaalsContact O-CG2 3.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.34Å; I296-V300 PolarHBondContact O-N 3.17Å; I296-F331 HydrophobicContact CD1-CZ 3.92Å; I296-L335 HydrophobicContact CG1-CD1 4.42Å; I296-L335 HydrophobicContact CG2-CD1 4.02Å
297S98.1Very high96.7Very high7 Ų744.8 Ų44.85%0.04924%0.243CC..Hα-helixtrans-63.6-35.7176.646.60000112.7P295 D301 L339P295-S297 PolarHBondContact O-N 2.84Å; P295-S297 VanDerWaalsContact O-N 3.1Å; S297-D301 PolarHBondContact O-N 3.02Å; S297-D301 VanDerWaalsContact O-N 3.14Å; S297-L339 WeakPolarHBondContact O-CD1 3.43Å
298E98.2Very high96.9Very high90 Ų9043.9 Ų43.942%0.42125%0.246SC..Hα-helixtrans-75.8-39.6177.1-65.7-174.8-170.200111.3Q294 P295 I296 V300 D301 E302Q294-E298 HydrophobicContact CG-CB 3.92Å; P295-E298 HydrophobicContact CB-CG 4.44Å; P295-E298 HydrophobicContact CG-CG 4.45Å; P295-E298 WeakPolarHBondContact O-CB 3.36Å; P295-E298 PolarHBondContact O-N 2.8Å; I296-E298 VanDerWaalsContact C-N 3.3Å; I296-E298 PolarHBondContact O-N 3.43Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 3.48Å; E298-D301 PolarHBondContact O-N 3.32Å; E298-E302 WeakPolarHBondContact O-CB 3.49Å; E298-E302 PolarHBondContact O-N 3.16Å
299V98.5Very high97.1Very high3 Ų348.2 Ų48.22%0.01826%0.262CS..Hα-helixtrans-58.3-44.7174.1-179.40000110.3V177 K191 I193 F292 Q294 P295 I296 E302 V303V177-V299 HydrophobicContact CB-CG1 4.42Å; V177-V299 HydrophobicContact CG2-CG1 3.91Å; K191-V299 HydrophobicContact CB-CG1 3.73Å; K191-V299 HydrophobicContact CG-CG1 4.41Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 4Å; I193-V299 HydrophobicContact CD1-CG2 3.99Å; I193-V299 HydrophobicContact CG1-CB 4.4Å; I193-V299 HydrophobicContact CG1-CG1 4Å; I193-V299 HydrophobicContact CG1-CG2 4.13Å; F292-V299 HydrophobicContact CZ-CG2 4.03Å; Q294-V299 HydrophobicContact CB-CG2 4.19Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; P295-V299 PolarHBondContact O-N 2.91Å; P295-V299 VanDerWaalsContact O-N 3.09Å; I296-V299 PolarHBondContact O-N 2.99Å; V299-E302 PolarHBondContact O-N 3.07Å; V299-V303 HydrophobicContact CG1-CG2 4.47Å; V299-V303 WeakPolarHBondContact O-CB 3.16Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.31Å; V299-V303 PolarHBondContact O-N 3.33Å
300V98.6Very high97.2Very high0 Ų052.9 Ų52.90%029%0.287CS..Hα-helixtrans-62.4-44.6177173.40000111.7T166 I168 V177 I296 E298 V303 I304 L335 L339T166-V300 HydrophobicContact CG2-CG1 4.48Å; I168-V300 HydrophobicContact CD1-CG2 3.6Å; I168-V300 HydrophobicContact CG1-CG2 4.15Å; V177-V300 HydrophobicContact CG1-CB 4.44Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 4.04Å; I296-V300 HydrophobicContact CG1-CG2 4.34Å; I296-V300 VanDerWaalsContact O-CG2 3.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.34Å; I296-V300 PolarHBondContact O-N 3.17Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 3.48Å; V300-V303 PolarHBondContact O-N 2.95Å; V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 VanDerWaalsContact O-CG1 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.3Å; V300-I304 PolarHBondContact O-N 3.35Å; V300-I304 VanDerWaalsContact O-N 3.11Å; V300-L335 HydrophobicContact CG2-CD1 4.48Å; V300-L339 HydrophobicContact CG1-CD1 4.26Å; V300-L339 HydrophobicContact CG1-CD2 3.74Å
301D98.5Very high97.5Very high17 Ų1748.7 Ų48.79%0.09126%0.259CS..Hα-helixtrans-61.7-45.2176.7-17262.4000112S297 E298 I304 Q305 Y316 L339 V343 R346S297-D301 PolarHBondContact O-N 3.02Å; S297-D301 VanDerWaalsContact O-N 3.14Å; E298-D301 PolarHBondContact O-N 3.32Å; D301-I304 PolarHBondContact O-N 2.94Å; D301-Q305 WeakPolarHBondContact O-CB 3.3Å; D301-Q305 VanDerWaalsContact O-CG 3.28Å; D301-Q305 WeakPolarHBondContact O-CG 3.28Å; D301-Q305 PolarHBondContact O-N 3.44Å; D301-Y316 PolarHBondContact OD1-OH 3.23Å; D301-L339 HydrophobicContact CB-CD1 3.75Å; D301-V343 WeakPolarHBondContact OD1-CG2 3.26Å; D301-R346 VanDerWaalsContact CG-NH1 3.33Å; D301-R346 IonicContact OD1-CZ 2.88Å; D301-R346 IonicContact OD1-NH1 3.84Å; D301-R346 PolarHBondContact OD1-NH1 2.76Å; D301-R346 IonicContact OD1-NH2 3.44Å; D301-R346 PolarHBondContact OD1-NH2 2.72Å; D301-R346 IonicContact OD2-CZ 3.99Å; D301-R346 IonicContact OD2-NH1 2.75Å; D301-R346 PolarHBondContact OD2-NH1 3.43Å; D301-R346 IonicContact OD2-NH2 3.47Å
302E98.4Very high97.7Very high54 Ų5444.2 Ų44.225%0.25223%0.231SC..Hα-helixtrans-59.8-47.9177.7-173.9-169.9149.600111.5K191 Q294 E298 V299 I304 Q305 N306K191-E302 WeakPolarHBondContact CE-OE1 3.42Å; K191-E302 IonicContact NZ-OE1 3.18Å; K191-E302 PolarHBondContact NZ-OE1 3.16Å; Q294-E302 PolarHBondContact NE2-OE2 2.76Å; E298-E302 WeakPolarHBondContact O-CB 3.49Å; E298-E302 PolarHBondContact O-N 3.16Å; V299-E302 PolarHBondContact O-N 3.07Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.81Å; E302-Q305 PolarHBondContact O-N 2.78Å; E302-N306 WeakPolarHBondContact O-CB 3.4Å; E302-N306 VanDerWaalsContact O-CG 3.25Å; E302-N306 PolarHBondContact O-N 3.03Å; E302-N306 PolarHBondContact O-ND2 3.3Å
303V98.6Very high97.8Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-55.5-49.3177166.50000110.8V177 P179 C189 K191 V299 V300 Q305 N306 C307V177-V303 HydrophobicContact CB-CG2 4.03Å; V177-V303 HydrophobicContact CG1-CB 3.97Å; V177-V303 HydrophobicContact CG1-CG1 4Å; V177-V303 HydrophobicContact CG1-CG2 3.8Å; P179-V303 HydrophobicContact CB-CG1 4.06Å; P179-V303 HydrophobicContact CG-CG1 3.66Å; C189-V303 WeakPolarHBondContact O-CG1 3.45Å; C189-V303 WeakPolarHBondContact O-CG2 3.36Å; K191-V303 HydrophobicContact CB-CG2 3.62Å; K191-V303 HydrophobicContact CG-CG2 3.41Å; K191-V303 VanDerWaalsContact CG-CG2 3.41Å; V299-V303 HydrophobicContact CG1-CG2 4.47Å; V299-V303 WeakPolarHBondContact O-CB 3.16Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.31Å; V299-V303 PolarHBondContact O-N 3.33Å; V300-V303 PolarHBondContact O-N 2.95Å; V303-Q305 PolarHBondContact O-N 3.08Å; V303-N306 PolarHBondContact O-N 2.91Å; V303-C307 PolarHBondContact O-N 3.1Å; V303-C307 PolarHBondContact O-SG 3.46Å
304I98.6Very high97.8Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-68.6-36.6-178.6-62169.5000110.9T166 V300 D301 E302 N306 C307 R312 L315 Y316T166-I304 HydrophobicContact CG2-CG1 4.43Å; V300-I304 HydrophobicContact CG1-CD1 3.88Å; V300-I304 VanDerWaalsContact O-CG1 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.3Å; V300-I304 PolarHBondContact O-N 3.35Å; V300-I304 VanDerWaalsContact O-N 3.11Å; D301-I304 PolarHBondContact O-N 2.94Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.81Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 3.44Å; I304-C307 WeakPolarHBondContact O-CB 3.35Å; I304-C307 PolarHBondContact O-N 3.43Å; I304-R312 HydrophobicContact CG2-CB 3.87Å; I304-R312 HydrophobicContact CG2-CG 4.27Å; I304-R312 WeakPolarHBondContact O-CD 3.49Å; I304-R312 WeakPolarHBondContact O-CG 3.12Å; I304-R312 PolarHBondContact O-NE 3.37Å; I304-L315 HydrophobicContact CD1-CB 4.38Å; I304-L315 HydrophobicContact CG1-CB 4.13Å; I304-L315 HydrophobicContact CG2-CB 3.99Å; I304-L315 HydrophobicContact CG2-CD1 4.39Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.15Å; I304-Y316 HydrophobicContact CD1-CD1 3.55Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.04Å; I304-Y316 HydrophobicContact CG2-CD1 4.42Å; I304-Y316 HydrophobicContact CG2-CD2 3.65Å; I304-Y316 HydrophobicContact CG2-CE1 4.14Å; I304-Y316 HydrophobicContact CG2-CE2 3.3Å; I304-Y316 HydrophobicContact CG2-CG 4.18Å
305Q98.1Very high97.8Very high53 Ų5343.6 Ų43.625%0.24822%0.223CC..Hα-helixtrans-70.2-23.3175.8-70.5-55.2-41.600113.6D301 E302 V303 C307 R312 Y316D301-Q305 WeakPolarHBondContact O-CB 3.3Å; D301-Q305 VanDerWaalsContact O-CG 3.28Å; D301-Q305 WeakPolarHBondContact O-CG 3.28Å; D301-Q305 PolarHBondContact O-N 3.44Å; E302-Q305 PolarHBondContact O-N 2.78Å; V303-Q305 PolarHBondContact O-N 3.08Å; Q305-C307 VanDerWaalsContact C-N 3.34Å; Q305-R312 PolarHBondContact O-NE 3.22Å; Q305-R312 PolarHBondContact O-NH1 2.9Å; Q305-R312 PolarHBondContact O-NH2 3.46Å; Q305-Y316 PolarHBondContact NE2-OH 3.21Å
306N98.3Very high97.8Very high88 Ų8842.6 Ų42.647%0.47122%0.216SC..Hα-helixtrans-80.4-17.1173-70.7-25.6000112.8C189 E302 V303 I304C189-N306 HydrophobicContact CB-CB 4.47Å; C189-N306 PolarHBondContact SG-O 3.38Å; C189-N306 VanDerWaalsContact SG-O 3.39Å; E302-N306 WeakPolarHBondContact O-CB 3.4Å; E302-N306 VanDerWaalsContact O-CG 3.25Å; E302-N306 PolarHBondContact O-N 3.03Å; E302-N306 PolarHBondContact O-ND2 3.3Å; V303-N306 PolarHBondContact O-N 2.91Å; I304-N306 VanDerWaalsContact C-N 3.29Å; I304-N306 PolarHBondContact O-N 3.44Å
307C98.3Very high97.7Very high1 Ų147.9 Ų47.91%0.00724%0.239CC..SBendtrans-72.6161.2176.5-66.20000112.3P179 I186 V303 I304 Q305 V311 R312 L315P179-C307 WeakPolarHBondContact CB-SG 3.25Å; I186-C307 HydrophobicContact CD1-CB 4.39Å; V303-C307 PolarHBondContact O-N 3.1Å; V303-C307 PolarHBondContact O-SG 3.46Å; I304-C307 WeakPolarHBondContact O-CB 3.35Å; I304-C307 PolarHBondContact O-N 3.43Å; Q305-C307 VanDerWaalsContact C-N 3.34Å; C307-V311 HydrophobicContact CB-CG2 4.01Å; C307-R312 VanDerWaalsContact O-CZ 3.28Å; C307-R312 PolarHBondContact O-NE 2.82Å; C307-R312 PolarHBondContact O-NH2 3.01Å; C307-L315 HydrophobicContact CB-CD1 3.76Å
308P97.9Very high97.7Very high68 Ų6848.2 Ų48.244%0.44224%0.24SC..  trans-52.5144.8171.2-2736.4000112.9D310 V311 R312P308-D310 VanDerWaalsContact C-N 3.32Å; P308-D310 WeakPolarHBondContact CB-OD1 3.25Å; P308-D310 PolarHBondContact O-N 2.64Å; P308-V311 HydrophobicContact CB-CG2 4.11Å; P308-V311 HydrophobicContact CG-CG2 4.43Å; P308-V311 WeakPolarHBondContact O-CG2 3.48Å; P308-V311 PolarHBondContact O-N 2.63Å; P308-R312 WeakPolarHBondContact O-CG 3.25Å; P308-R312 PolarHBondContact O-N 2.81Å
309I95.8Very high97.7Very high136 Ų13644 Ų4470%0.69722%0.22SC*.Hα-helixtrans-63.2-37.5-168.4-67.5174.6000112.5V311 R312I309-V311 VanDerWaalsContact C-N 3.34Å; I309-V311 PolarHBondContact O-N 2.93Å; I309-R312 PolarHBondContact O-N 2.92Å
310D95.6Very high97.7Very high127 Ų12743.8 Ų43.868%0.67922%0.22SC*.Hα-helixtrans-63.5-34.118051.9-10.7000113.2P308P308-D310 VanDerWaalsContact C-N 3.32Å; P308-D310 WeakPolarHBondContact CB-OD1 3.25Å; P308-D310 PolarHBondContact O-N 2.64Å
311V97Very high97.7Very high27 Ų2743.8 Ų43.816%0.16422%0.22CC..Hα-helixtrans-89.4-14.9-179.3-58.80000114.3A181 I186 C307 P308 I309 R313 P314 L315A181-V311 HydrophobicContact CB-CG1 4.19Å; I186-V311 HydrophobicContact CD1-CG2 4.16Å; C307-V311 HydrophobicContact CB-CG2 4.01Å; P308-V311 HydrophobicContact CB-CG2 4.11Å; P308-V311 HydrophobicContact CG-CG2 4.43Å; P308-V311 WeakPolarHBondContact O-CG2 3.48Å; P308-V311 PolarHBondContact O-N 2.63Å; I309-V311 VanDerWaalsContact C-N 3.34Å; I309-V311 PolarHBondContact O-N 2.93Å; V311-R313 PolarHBondContact O-N 3.43Å; V311-P314 WeakPolarHBondContact O-CD 3.28Å; V311-L315 HydrophobicContact CB-CD1 4.41Å; V311-L315 HydrophobicContact CG2-CD1 3.93Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 3.5Å
312R97.9Very high97.6Very high58 Ų5843.1 Ų43.122%0.21922%0.216CC..Hα-helixtrans-58.9-43-173.2-56.4-167.5-175.3168.84.6113.8I304 Q305 C307 P308 I309 L315 Y316I304-R312 HydrophobicContact CG2-CB 3.87Å; I304-R312 HydrophobicContact CG2-CG 4.27Å; I304-R312 WeakPolarHBondContact O-CD 3.49Å; I304-R312 WeakPolarHBondContact O-CG 3.12Å; I304-R312 PolarHBondContact O-NE 3.37Å; Q305-R312 PolarHBondContact O-NE 3.22Å; Q305-R312 PolarHBondContact O-NH1 2.9Å; Q305-R312 PolarHBondContact O-NH2 3.46Å; C307-R312 VanDerWaalsContact O-CZ 3.28Å; C307-R312 PolarHBondContact O-NE 2.82Å; C307-R312 PolarHBondContact O-NH2 3.01Å; P308-R312 WeakPolarHBondContact O-CG 3.25Å; P308-R312 PolarHBondContact O-N 2.81Å; I309-R312 PolarHBondContact O-N 2.92Å; R312-L315 WeakPolarHBondContact O-CB 3.1Å; R312-L315 PolarHBondContact O-N 2.89Å; R312-Y316 HydrophobicContact CB-CE2 4.47Å; R312-Y316 WeakPolarHBondContact O-CD2 3.22Å; R312-Y316 PolarHBondContact O-N 2.78Å
313R97Very high97.4Very high107 Ų10741 Ų4140%0.40421%0.208SC..Hα-helixtrans-64.6-48.5-178.9-75.6-179.4176.3-82.3-4.9111.8V311 L315 Y316 K317 K361 P362V311-R313 PolarHBondContact O-N 3.43Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.36Å; R313-Y316 PolarHBondContact O-N 2.92Å; R313-K317 WeakPolarHBondContact O-CB 3.36Å; R313-K317 PolarHBondContact O-N 3Å; R313-K317 VanDerWaalsContact O-N 3.14Å; R313-K361 PolarHBondContact NH1-O 3.38Å; R313-K361 PolarHBondContact NH2-O 3.03Å; R313-P362 PolarHBondContact NH1-O 3.31Å
314P96.5Very high97.2Very high58 Ų5842.8 Ų42.838%0.37723%0.227SC..Hα-helixtrans-51.9-44.9168.1-29.332.7000113.6T164 V311 Y316 K317 N318T164-P314 HydrophobicContact CG2-CB 3.6Å; V311-P314 WeakPolarHBondContact O-CD 3.28Å; P314-Y316 PolarHBondContact O-N 3.1Å; P314-K317 PolarHBondContact O-N 3.38Å; P314-N318 PolarHBondContact O-N 2.97Å; P314-N318 VanDerWaalsContact O-N 3.11Å
315L98Very high97.1Very high0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-62.9-39.1-179.1-70.4175.9000113.6G165 T166 P179 V180 I304 C307 V311 R312 R313 V319G165-L315 VanDerWaalsContact O-CD2 3.24Å; G165-L315 WeakPolarHBondContact O-CD2 3.49Å; T166-L315 PolarHBondContact OG1-O 3Å; T166-L315 VanDerWaalsContact OG1-O 3.07Å; P179-L315 HydrophobicContact CB-CD1 4.11Å; P179-L315 HydrophobicContact CB-CD2 4.25Å; V180-L315 WeakPolarHBondContact O-CD2 3.37Å; I304-L315 HydrophobicContact CD1-CB 4.38Å; I304-L315 HydrophobicContact CG1-CB 4.13Å; I304-L315 HydrophobicContact CG2-CB 3.99Å; I304-L315 HydrophobicContact CG2-CD1 4.39Å; C307-L315 HydrophobicContact CB-CD1 3.76Å; V311-L315 HydrophobicContact CB-CD1 4.41Å; V311-L315 HydrophobicContact CG2-CD1 3.93Å; V311-L315 VanDerWaalsContact O-CG 3.27Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 3.5Å; R312-L315 WeakPolarHBondContact O-CB 3.1Å; R312-L315 PolarHBondContact O-N 2.89Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.45Å
316Y98.2Very high97.1Very high1 Ų140.8 Ų40.80%0.00422%0.219CC..Hα-helixtrans-69.7-35.1174.1-79.5-65.3000113.3D301 I304 Q305 R312 R313 P314 N318 L339 V343 R346 I363 D364 V365 Q366D301-Y316 PolarHBondContact OD1-OH 3.23Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.15Å; I304-Y316 HydrophobicContact CD1-CD1 3.55Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.04Å; I304-Y316 HydrophobicContact CG2-CD1 4.42Å; I304-Y316 HydrophobicContact CG2-CD2 3.65Å; I304-Y316 HydrophobicContact CG2-CE1 4.14Å; I304-Y316 HydrophobicContact CG2-CE2 3.3Å; I304-Y316 HydrophobicContact CG2-CG 4.18Å; Q305-Y316 PolarHBondContact NE2-OH 3.21Å; R312-Y316 HydrophobicContact CB-CE2 4.47Å; R312-Y316 WeakPolarHBondContact O-CD2 3.22Å; R312-Y316 PolarHBondContact O-N 2.78Å; R313-Y316 PolarHBondContact O-N 2.92Å; P314-Y316 PolarHBondContact O-N 3.1Å; Y316-N318 VanDerWaalsContact C-N 3.28Å; Y316-N318 PolarHBondContact O-N 3.47Å; Y316-L339 HydrophobicContact CD1-CD2 4.32Å; Y316-L339 HydrophobicContact CE1-CD1 4.12Å; Y316-L339 HydrophobicContact CE1-CG 4.46Å; Y316-V343 HydrophobicContact CD1-CG2 4.32Å; Y316-V343 HydrophobicContact CE1-CG2 3.64Å; Y316-R346 PolarHBondContact OH-NH2 2.84Å; Y316-R346 VanDerWaalsContact OH-NH2 3.09Å; Y316-I363 HydrophobicContact CD1-CG2 4.42Å; Y316-I363 HydrophobicContact CD2-CG2 3.58Å; Y316-I363 HydrophobicContact CE2-CD1 4.37Å; Y316-I363 HydrophobicContact CE2-CG2 4.29Å; Y316-I363 HydrophobicContact CG-CG2 3.67Å; Y316-D364 CarbonylContact C-O 3.23Å; Y316-D364 WeakPolarHBondContact CB-O 3.44Å; Y316-V365 HydrophobicContact CD1-CG2 4.14Å; Y316-V365 HydrophobicContact CG-CG2 4.5Å; Y316-V365 WeakPolarHBondContact O-CA 3.4Å; Y316-Q366 PolarHBondContact O-N 2.99Å
317K96.4Very high97Very high111 Ų11140.9 Ų40.948%0.48322%0.218SC..Hα-helixtrans-75.8-18-178.3-168.1-176.3175.2-163.80112.5R313 P314 Q366R313-K317 WeakPolarHBondContact O-CB 3.36Å; R313-K317 PolarHBondContact O-N 3Å; R313-K317 VanDerWaalsContact O-N 3.14Å; P314-K317 PolarHBondContact O-N 3.38Å; K317-Q366 WeakPolarHBondContact O-CB 3.44Å
318N97.3Very high97Very high14 Ų1441.9 Ų41.98%0.07522%0.222CC..  trans-133.170.8-178.4-169.729.1000111.3T164 G165 T166 P314 Y316 V320T164-N318 PolarHBondContact O-ND2 2.7Å; G165-N318 CarbonylContact C-O 3.54Å; G165-N318 WeakPolarHBondContact CA-O 3.46Å; T166-N318 PolarHBondContact N-O 3.31Å; P314-N318 PolarHBondContact O-N 2.97Å; P314-N318 VanDerWaalsContact O-N 3.11Å; Y316-N318 VanDerWaalsContact C-N 3.28Å; Y316-N318 PolarHBondContact O-N 3.47Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.13Å
319V98.2Very high97Very high0 Ų045.4 Ų45.40%023%0.226CC..EExtended strand (participates in β ladder)trans-91.1105.7173-177.20000109.1T166 I168 L315 L335 L339 Q366 V367 V368T166-V319 CarbonylContact O-C 3.6Å; T166-V319 VanDerWaalsContact O-CA 3.25Å; T166-V319 WeakPolarHBondContact O-CA 3.49Å; I168-V319 HydrophobicContact CD1-CG1 3.75Å; I168-V319 HydrophobicContact CG1-CG1 4.21Å; L315-V319 WeakPolarHBondContact O-CG2 3.45Å; V319-L335 HydrophobicContact CG1-CD2 4.41Å; V319-L339 HydrophobicContact CG2-CD2 4.5Å; V319-Q366 PolarHBondContact N-O 2.71Å; V319-V367 HydrophobicContact CB-CG2 4.1Å; V319-V367 HydrophobicContact CG1-CG2 4.22Å; V319-V367 CarbonylContact O-C 3.48Å; V319-V367 WeakPolarHBondContact O-CA 3.16Å; V319-V368 PolarHBondContact O-N 2.86Å
320V98.1Very high97.1Very high0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-98.6135.8-175.31760000110.7L149 T166 V167 I168 N318 V368L149-V320 HydrophobicContact CD2-CB 3.98Å; L149-V320 HydrophobicContact CD2-CG2 3.59Å; T166-V320 PolarHBondContact O-N 2.96Å; V167-V320 WeakPolarHBondContact CA-O 3.49Å; I168-V320 PolarHBondContact N-O 2.92Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.13Å; V320-V368 HydrophobicContact CG2-CB 4.29Å; V320-V368 HydrophobicContact CG2-CG2 4.48Å
321L98Very high97.2Very high0 Ų035.5 Ų35.50%018%0.175CC..EExtended strand (participates in β ladder)trans-96.1134.3177.1-60.1-176.8000111.1I168 T326 F331 L335 V367 T369 Q373I168-L321 HydrophobicContact CB-CD2 3.95Å; I168-L321 HydrophobicContact CD1-CD2 4.01Å; I168-L321 HydrophobicContact CG1-CD2 4.46Å; I168-L321 HydrophobicContact CG2-CD2 4.42Å; L321-T326 HydrophobicContact CB-CG2 4.28Å; L321-T326 HydrophobicContact CD2-CG2 4.48Å; L321-F331 HydrophobicContact CD1-CD1 3.86Å; L321-F331 HydrophobicContact CD1-CE1 4.33Å; L321-F331 HydrophobicContact CD2-CD1 4.29Å; L321-F331 HydrophobicContact CD2-CE1 3.93Å; L321-L335 HydrophobicContact CD2-CD2 4.15Å; L321-V367 HydrophobicContact CD1-CG1 3.88Å; L321-V367 HydrophobicContact CD2-CG1 3.98Å; L321-V367 HydrophobicContact CG-CG1 3.83Å; L321-T369 HydrophobicContact CD1-CG2 3.86Å; L321-Q373 HydrophobicContact CB-CG 4.38Å
322S96.9Very high97.3Very high2 Ų234.5 Ų34.51%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-133.2145.9176.5173.30000110.7I168 D169 S170 T326I168-S322 PolarHBondContact O-N 2.7Å; D169-S322 WeakPolarHBondContact CA-O 3.31Å; D169-S322 WeakPolarHBondContact OD1-CB 3.24Å; D169-S322 PolarHBondContact OD1-OG 3.13Å; S170-S322 PolarHBondContact N-O 3.38Å; S322-T326 WeakPolarHBondContact O-CG2 3.41Å
323G94.6Very high97.2Very high9 Ų940.2 Ų40.29%0.09319%0.192CC..SBendtrans92.7155.9170.600000114.1S170 S325 T326 Q373S170-G323 CarbonylContact O-C 3.56Å; S170-G323 VanDerWaalsContact O-C 3.23Å; S170-G323 WeakPolarHBondContact O-CA 3.04Å; G323-S325 VanDerWaalsContact C-N 3.27Å; G323-S325 PolarHBondContact O-N 3.29Å; G323-T326 PolarHBondContact O-N 3.03Å; G323-T326 VanDerWaalsContact O-N 3.08Å; G323-T326 PolarHBondContact O-OG1 2.89Å; G323-Q373 PolarHBondContact N-O 3.36Å
324G94Very high97.3Very high39 Ų3936 Ų3640%0.40218%0.176SC..G310 helixtrans-60.8-30.1-170.800000114.8S170 T326 M327S170-G324 PolarHBondContact O-N 3.28Å; G324-T326 PolarHBondContact O-N 3.25Å; G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.36Å; G324-M327 WeakPolarHBondContact O-CG 3.45Å; G324-M327 PolarHBondContact O-N 2.74Å
325S96.8Very high97.4Very high8 Ų833.2 Ų33.26%0.05616%0.158CC..G310 helixtrans-77.9-6.9179.8-62.70000113.2S170 G171 G197 G323 F328S170-S325 WeakPolarHBondContact O-CB 3.46Å; S170-S325 PolarHBondContact O-N 3.02Å; S170-S325 WeakPolarHBondContact OG-CB 3.5Å; G171-S325 PolarHBondContact O-OG 3.16Å; G197-S325 WeakPolarHBondContact CA-OG 3.44Å; G197-S325 PolarHBondContact N-OG 3.36Å; G323-S325 VanDerWaalsContact C-N 3.27Å; G323-S325 PolarHBondContact O-N 3.29Å; S325-F328 WeakPolarHBondContact O-CD2 3.34Å; S325-F328 VanDerWaalsContact O-CE2 3.28Å; S325-F328 WeakPolarHBondContact O-CE2 3.43Å
326T97.5Very high97.4Very high3 Ų336.5 Ų36.52%0.01817%0.173CC..G310 helixtrans-89.3-4.117070.90000113.3L321 S322 G323 G324 F328 F331 Q373L321-T326 HydrophobicContact CB-CG2 4.28Å; L321-T326 HydrophobicContact CD2-CG2 4.48Å; S322-T326 WeakPolarHBondContact O-CG2 3.41Å; G323-T326 PolarHBondContact O-N 3.03Å; G323-T326 VanDerWaalsContact O-N 3.08Å; G323-T326 PolarHBondContact O-OG1 2.89Å; G324-T326 PolarHBondContact O-N 3.25Å; T326-F328 VanDerWaalsContact C-N 3.26Å; T326-F328 PolarHBondContact O-N 3.23Å; T326-F331 HydrophobicContact CG2-CE1 4.22Å; T326-Q373 PolarHBondContact OG1-NE2 3.48Å
327M97.1Very high97.4Very high89 Ų8939.9 Ų39.944%0.43819%0.186SC..  trans-78.1-4.3-175.7-64.6-64-64.500113.9G324 R329 Q373 R374G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.36Å; G324-M327 WeakPolarHBondContact O-CG 3.45Å; G324-M327 PolarHBondContact O-N 2.74Å; M327-R329 PolarHBondContact O-N 3.34Å; M327-Q373 HydrophobicContact SD-CB 3.38Å; M327-Q373 WeakPolarHBondContact SD-CB 3.42Å; M327-R374 HydrophobicContact CE-CB 4.34Å; M327-R374 HydrophobicContact CG-CB 4.18Å; M327-R374 HydrophobicContact SD-CB 4.02Å; M327-R374 PolarHBondContact SD-N 3.17Å
328F97.9Very high97.5Very high22 Ų2235.6 Ų35.610%0.09617%0.168CC..SBendtrans-58.7134.5177.2-64.4-68.4000110.6I200 K228 V234 P279 F282 S325 T326 D330 F331I200-F328 HydrophobicContact CD1-CE2 3.62Å; I200-F328 HydrophobicContact CD1-CZ 3.91Å; I200-F328 HydrophobicContact CG2-CZ 4.17Å; K228-F328 HydrophobicContact CD-CZ 4.15Å; K228-F328 HydrophobicContact CG-CE1 3.85Å; K228-F328 HydrophobicContact CG-CZ 3.8Å; V234-F328 HydrophobicContact CG2-CB 3.96Å; P279-F328 HydrophobicContact CB-CB 4.47Å; P279-F328 HydrophobicContact CB-CD1 4.23Å; P279-F328 HydrophobicContact CB-CD2 4.01Å; P279-F328 HydrophobicContact CB-CE2 4.32Å; P279-F328 HydrophobicContact CB-CG 3.97Å; P279-F328 HydrophobicContact CG-CD1 3.55Å; P279-F328 HydrophobicContact CG-CD2 4.18Å; P279-F328 HydrophobicContact CG-CE1 3.68Å; P279-F328 HydrophobicContact CG-CE2 4.31Å; P279-F328 HydrophobicContact CG-CG 3.82Å; P279-F328 HydrophobicContact CG-CZ 4.07Å; F282-F328 HydrophobicContact CE2-CD2 4.48Å; F282-F328 HydrophobicContact CE2-CE2 4.21Å; S325-F328 WeakPolarHBondContact O-CD2 3.34Å; S325-F328 VanDerWaalsContact O-CE2 3.28Å; S325-F328 WeakPolarHBondContact O-CE2 3.43Å; T326-F328 VanDerWaalsContact C-N 3.26Å; T326-F328 PolarHBondContact O-N 3.23Å; F328-D330 PolarHBondContact O-N 3.35Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.48Å; F328-F331 VanDerWaalsContact O-N 3.11Å
329R97.8Very high97.6Very high142 Ų14235 Ų3554%0.53617%0.165SC..BIsolated β-bridgetrans-55.7135.6175.9-171.2-178.168.1-165.4-5.1109.4V234 M327 F331V234-R329 PolarHBondContact N-O 3.32Å; M327-R329 PolarHBondContact O-N 3.34Å; R329-F331 PolarHBondContact O-N 3.26Å
330D97.9Very high97.5Very high54 Ų5438.7 Ų38.729%0.28918%0.181SC..THydrogen-bonded Turntrans67.55.3179.9-55.6-48.4000116.3F328 G332 R333 R334F328-D330 PolarHBondContact O-N 3.35Å; D330-G332 PolarHBondContact O-N 3.11Å; D330-R333 PolarHBondContact O-N 3.22Å; D330-R333 IonicContact OD1-CZ 2.94Å; D330-R333 VanDerWaalsContact OD1-CZ 3.25Å; D330-R333 IonicContact OD1-NH1 3.99Å; D330-R333 PolarHBondContact OD1-NH1 3.23Å; D330-R333 IonicContact OD1-NH2 2.96Å; D330-R334 WeakPolarHBondContact O-CB 3.36Å; D330-R334 PolarHBondContact O-N 2.89Å
331F98.5Very high97.5Very high1 Ų146 Ų460%0.00421%0.209CC..Hα-helixtrans-55-55.2176.6-176.9-90.3000112.7V234 F282 F283 I296 L321 T326 F328 R329 R333 R334 L335V234-F331 HydrophobicContact CG2-CB 4.02Å; V234-F331 HydrophobicContact CG2-CD2 4.02Å; F282-F331 HydrophobicContact CB-CE2 4.18Å; F282-F331 HydrophobicContact CD1-CE2 4.48Å; F282-F331 HydrophobicContact CD2-CD2 4.36Å; F282-F331 AromaticContact CD2-CE2 3.6Å; F282-F331 HydrophobicContact CD2-CE2 3.6Å; F282-F331 AromaticContact CE2-CE2 3.99Å; F282-F331 HydrophobicContact CE2-CE2 3.99Å; F282-F331 AromaticContact CG-CE2 3.86Å; F282-F331 HydrophobicContact CG-CE2 3.86Å; F283-F331 HydrophobicContact CE2-CD2 4.24Å; F283-F331 HydrophobicContact CE2-CE2 4.32Å; F283-F331 HydrophobicContact CZ-CD2 4.18Å; F283-F331 HydrophobicContact CZ-CE2 4.17Å; I296-F331 HydrophobicContact CD1-CZ 3.92Å; L321-F331 HydrophobicContact CD1-CD1 3.86Å; L321-F331 HydrophobicContact CD1-CE1 4.33Å; L321-F331 HydrophobicContact CD2-CD1 4.29Å; L321-F331 HydrophobicContact CD2-CE1 3.93Å; T326-F331 HydrophobicContact CG2-CE1 4.22Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.48Å; F328-F331 VanDerWaalsContact O-N 3.11Å; R329-F331 PolarHBondContact O-N 3.26Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 3.21Å; F331-R334 PolarHBondContact O-N 3.26Å; F331-L335 WeakPolarHBondContact O-CB 3.38Å; F331-L335 PolarHBondContact O-N 3.09Å
332G97.8Very high97.5Very high6 Ų648.1 Ų48.16%0.06222%0.221CC..Hα-helixtrans-62.2-35.2179.200000113.2D330 Q336D330-G332 PolarHBondContact O-N 3.11Å; G332-Q336 WeakPolarHBondContact O-CB 3.4Å; G332-Q336 PolarHBondContact O-N 3.42Å
333R97.9Very high97.4Very high178 Ų17848 Ų4867%0.67222%0.221SC*.Hα-helixtrans-68.1-44177.4-171.5-174.2-63.5136.19.4111.5D330 F331 R337D330-R333 PolarHBondContact O-N 3.22Å; D330-R333 IonicContact OD1-CZ 2.94Å; D330-R333 VanDerWaalsContact OD1-CZ 3.25Å; D330-R333 IonicContact OD1-NH1 3.99Å; D330-R333 PolarHBondContact OD1-NH1 3.23Å; D330-R333 IonicContact OD1-NH2 2.96Å; F331-R333 VanDerWaalsContact C-N 3.29Å; F331-R333 PolarHBondContact O-N 3.21Å; R333-R337 WeakPolarHBondContact O-CB 3.49Å; R333-R337 PolarHBondContact O-N 2.79Å
334R98.4Very high97.5Very high19 Ų1950.3 Ų50.37%0.07223%0.231CC..Hα-helixtrans-61-48.9175.9175.867.6-177.5-85.1-8.1110.4V234 C235 E280 F283 D330 F331 Q336 R337 D338V234-R334 HydrophobicContact CG1-CB 3.55Å; V234-R334 HydrophobicContact CG1-CG 3.64Å; C235-R334 PolarHBondContact O-NH1 3.26Å; E280-R334 IonicContact OE1-CZ 2.62Å; E280-R334 IonicContact OE1-NH1 3.57Å; E280-R334 PolarHBondContact OE1-NH1 2.89Å; E280-R334 IonicContact OE1-NH2 3.51Å; E280-R334 PolarHBondContact OE1-NH2 2.89Å; E280-R334 IonicContact OE2-CZ 3.19Å; E280-R334 IonicContact OE2-NH1 3.35Å; E280-R334 PolarHBondContact OE2-NH1 2.97Å; F283-R334 HydrophobicContact CD1-CG 3.87Å; F283-R334 HydrophobicContact CD2-CG 4.06Å; F283-R334 HydrophobicContact CE1-CB 4.24Å; F283-R334 HydrophobicContact CE1-CG 3.46Å; F283-R334 VanDerWaalsContact CE1-CG 3.46Å; F283-R334 HydrophobicContact CE2-CB 4.34Å; F283-R334 HydrophobicContact CE2-CG 3.68Å; F283-R334 HydrophobicContact CG-CG 4.16Å; F283-R334 HydrophobicContact CZ-CB 3.86Å; F283-R334 HydrophobicContact CZ-CG 3.36Å; D330-R334 WeakPolarHBondContact O-CB 3.36Å; D330-R334 PolarHBondContact O-N 2.89Å; F331-R334 PolarHBondContact O-N 3.26Å; R334-Q336 PolarHBondContact O-N 3.21Å; R334-R337 PolarHBondContact O-N 3.01Å; R334-D338 WeakPolarHBondContact CD-OD2 3.3Å; R334-D338 IonicContact CZ-OD2 3.1Å; R334-D338 IonicContact NE-OD1 2.71Å; R334-D338 IonicContact NE-OD2 3.9Å; R334-D338 PolarHBondContact NE-OD2 2.94Å; R334-D338 IonicContact NH2-OD2 2.82Å; R334-D338 PolarHBondContact O-N 3.2Å
335L98.6Very high97.6Very high0 Ų050.9 Ų50.90%023%0.232CC..Hα-helixtrans-58.5-50.1177.8179.567.4000111.9I168 F283 I296 V300 V319 L321 F331 R337 D338 L339 V367I168-L335 HydrophobicContact CD1-CD2 3.23Å; I168-L335 HydrophobicContact CD1-CG 4.48Å; F283-L335 HydrophobicContact CE1-CB 4.4Å; I296-L335 HydrophobicContact CG1-CD1 4.42Å; I296-L335 HydrophobicContact CG2-CD1 4.02Å; V300-L335 HydrophobicContact CG2-CD1 4.48Å; V319-L335 HydrophobicContact CG1-CD2 4.41Å; L321-L335 HydrophobicContact CD2-CD2 4.15Å; F331-L335 WeakPolarHBondContact O-CB 3.38Å; F331-L335 PolarHBondContact O-N 3.09Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.34Å; L335-D338 PolarHBondContact O-N 3.42Å; L335-L339 WeakPolarHBondContact O-CB 3.33Å; L335-L339 PolarHBondContact O-N 3.18Å; L335-V367 HydrophobicContact CB-CG2 4.45Å; L335-V367 HydrophobicContact CD2-CG1 4.1Å; L335-V367 HydrophobicContact CD2-CG2 3.97Å; L335-V367 HydrophobicContact CG-CG2 4.09Å
336Q98.5Very high97.5Very high68 Ų6853.8 Ų53.832%0.31824%0.242SC..Hα-helixtrans-60.1-42.7179.7-173.1172.9-50.100111.7G332 R334 K340 V365 V367G332-Q336 WeakPolarHBondContact O-CB 3.4Å; G332-Q336 PolarHBondContact O-N 3.42Å; R334-Q336 PolarHBondContact O-N 3.21Å; Q336-K340 WeakPolarHBondContact O-CB 3.49Å; Q336-K340 PolarHBondContact O-N 3.26Å; Q336-V365 HydrophobicContact CG-CG1 4.31Å; Q336-V365 PolarHBondContact NE2-O 3.37Å; Q336-V367 HydrophobicContact CB-CB 4.04Å; Q336-V367 HydrophobicContact CB-CG2 3.64Å; Q336-V367 HydrophobicContact CG-CG2 4.26Å
337R98.3Very high97.2Very high73 Ų7355 Ų5528%0.27525%0.248SC..Hα-helixtrans-62.6-49.8179-178.1-164.272178.86.8111.5P236 R333 R334 L335 K340 R341P236-R337 PolarHBondContact O-NH1 2.86Å; P236-R337 PolarHBondContact O-NH2 2.82Å; R333-R337 WeakPolarHBondContact O-CB 3.49Å; R333-R337 PolarHBondContact O-N 2.79Å; R334-R337 PolarHBondContact O-N 3.01Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.34Å; R337-K340 PolarHBondContact O-N 3.18Å; R337-R341 WeakPolarHBondContact O-CG 3.41Å; R337-R341 PolarHBondContact O-N 3.28Å
338D98.2Very high97Very high21 Ų2156.8 Ų56.811%0.11225%0.253CS..Hα-helixtrans-72-42-174.3-69.21.2000110.7R334 L335 K340 R341 T342R334-D338 WeakPolarHBondContact CD-OD2 3.3Å; R334-D338 IonicContact CZ-OD2 3.1Å; R334-D338 IonicContact NE-OD1 2.71Å; R334-D338 IonicContact NE-OD2 3.9Å; R334-D338 PolarHBondContact NE-OD2 2.94Å; R334-D338 IonicContact NH2-OD2 2.82Å; R334-D338 PolarHBondContact O-N 3.2Å; L335-D338 PolarHBondContact O-N 3.42Å; D338-K340 PolarHBondContact O-N 3.18Å; D338-R341 WeakPolarHBondContact O-CB 3.43Å; D338-R341 PolarHBondContact O-N 2.69Å; D338-T342 PolarHBondContact O-N 3.09Å; D338-T342 VanDerWaalsContact O-N 3.08Å; D338-T342 PolarHBondContact O-OG1 3.05Å
339L98.1Very high96.8Very high0 Ų060.2 Ų60.20%027%0.272CS..Hα-helixtrans-58.8-45.6172.3-176.958.8000111.7S297 V300 D301 Y316 V319 L335 R341 T342 V343 V365S297-L339 WeakPolarHBondContact O-CD1 3.43Å; V300-L339 HydrophobicContact CG1-CD1 4.26Å; V300-L339 HydrophobicContact CG1-CD2 3.74Å; D301-L339 HydrophobicContact CB-CD1 3.75Å; Y316-L339 HydrophobicContact CD1-CD2 4.32Å; Y316-L339 HydrophobicContact CE1-CD1 4.12Å; Y316-L339 HydrophobicContact CE1-CG 4.46Å; V319-L339 HydrophobicContact CG2-CD2 4.5Å; L335-L339 WeakPolarHBondContact O-CB 3.33Å; L335-L339 PolarHBondContact O-N 3.18Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.04Å; L339-T342 PolarHBondContact O-N 3Å; L339-V343 HydrophobicContact CD1-CG2 4.33Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 2.89Å; L339-V365 HydrophobicContact CB-CG1 4.26Å; L339-V365 HydrophobicContact CD2-CG1 3.6Å; L339-V365 HydrophobicContact CG-CG1 3.86Å
340K97.9Very high96.4Very high79 Ų7955.9 Ų55.934%0.34326%0.263SS..Hα-helixtrans-61.8-40.1177.3-179.2163.8178.448.40112.2Q336 R337 D338 V343 D344 V365Q336-K340 WeakPolarHBondContact O-CB 3.49Å; Q336-K340 PolarHBondContact O-N 3.26Å; R337-K340 PolarHBondContact O-N 3.18Å; D338-K340 PolarHBondContact O-N 3.18Å; K340-V343 PolarHBondContact O-N 2.92Å; K340-D344 WeakPolarHBondContact CE-OD2 3.28Å; K340-D344 VanDerWaalsContact CG-OD2 3.29Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 IonicContact NZ-OD1 3.23Å; K340-D344 PolarHBondContact NZ-OD1 2.83Å; K340-D344 IonicContact NZ-OD2 3.56Å; K340-D344 PolarHBondContact NZ-OD2 3.24Å; K340-D344 VanDerWaalsContact O-CB 3.27Å; K340-D344 WeakPolarHBondContact O-CB 3.3Å; K340-D344 VanDerWaalsContact O-CG 3.23Å; K340-D344 PolarHBondContact O-N 2.86Å; K340-V365 HydrophobicContact CB-CB 4.44Å
341R97.3Very high96.1Very high153 Ų15356.9 Ų56.958%0.57727%0.266SS*.Hα-helixtrans-60.4-46.5175.4-76.6171.6174.1-176.9-4111.6R337 D338 L339 A345R337-R341 WeakPolarHBondContact O-CG 3.41Å; R337-R341 PolarHBondContact O-N 3.28Å; D338-R341 WeakPolarHBondContact O-CB 3.43Å; D338-R341 PolarHBondContact O-N 2.69Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.04Å; R341-A345 WeakPolarHBondContact O-CB 3.34Å; R341-A345 PolarHBondContact O-N 3.47Å
342T96.8Very high95.8Very high44 Ų4462.6 Ų62.627%0.2729%0.293SS..Hα-helixtrans-61.2-47178.3-57.60000111.5D338 L339 A345 R346D338-T342 PolarHBondContact O-N 3.09Å; D338-T342 VanDerWaalsContact O-N 3.08Å; D338-T342 PolarHBondContact O-OG1 3.05Å; L339-T342 PolarHBondContact O-N 3Å; T342-A345 PolarHBondContact O-N 3.46Å; T342-R346 PolarHBondContact O-N 2.92Å
343V96.3Very high95.6Very high0 Ų069.3 Ų69.30%033%0.326CS..Hα-helixtrans-66-47-179.7174.80000111.8D301 Y316 L339 K340 A345 R346 L347 I363 V365D301-V343 WeakPolarHBondContact OD1-CG2 3.26Å; Y316-V343 HydrophobicContact CD1-CG2 4.32Å; Y316-V343 HydrophobicContact CE1-CG2 3.64Å; L339-V343 HydrophobicContact CD1-CG2 4.33Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.44Å; L339-V343 PolarHBondContact O-N 2.89Å; K340-V343 PolarHBondContact O-N 2.92Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 PolarHBondContact O-N 3.35Å; V343-R346 PolarHBondContact O-N 3.32Å; V343-L347 HydrophobicContact CG1-CD1 3.99Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 2.65Å; V343-I363 HydrophobicContact CG1-CB 3.67Å; V343-I363 HydrophobicContact CG1-CD1 3.64Å; V343-I363 HydrophobicContact CG1-CG1 4.15Å; V343-I363 HydrophobicContact CG1-CG2 4.02Å; V343-V365 HydrophobicContact CG2-CG2 4.48Å
344D96Very high95.2Very high58 Ų5862.3 Ų62.331%0.3131%0.305SS..Hα-helixtrans-65.1-38.3179.8-71.4-17.7000111.2K340 L347 K348K340-D344 WeakPolarHBondContact CE-OD2 3.28Å; K340-D344 VanDerWaalsContact CG-OD2 3.29Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 IonicContact NZ-OD1 3.23Å; K340-D344 PolarHBondContact NZ-OD1 2.83Å; K340-D344 IonicContact NZ-OD2 3.56Å; K340-D344 PolarHBondContact NZ-OD2 3.24Å; K340-D344 VanDerWaalsContact O-CB 3.27Å; K340-D344 WeakPolarHBondContact O-CB 3.3Å; K340-D344 VanDerWaalsContact O-CG 3.23Å; K340-D344 PolarHBondContact O-N 2.86Å; D344-L347 PolarHBondContact O-N 3.26Å; D344-K348 WeakPolarHBondContact O-CB 3.22Å; D344-K348 PolarHBondContact O-N 2.88Å
345A95.7Very high94.7Very high51 Ų5164.6 Ų64.642%0.42133%0.334SS..Hα-helixtrans-62.1-44.5174.600000111.9R341 T342 V343 L347 K348 I349R341-A345 WeakPolarHBondContact O-CB 3.34Å; R341-A345 PolarHBondContact O-N 3.47Å; T342-A345 PolarHBondContact O-N 3.46Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 PolarHBondContact O-N 3.35Å; A345-L347 PolarHBondContact O-N 3.38Å; A345-K348 PolarHBondContact O-N 3.18Å; A345-I349 WeakPolarHBondContact O-CG1 3.05Å; A345-I349 PolarHBondContact O-N 3.29Å; A345-I349 VanDerWaalsContact O-N 3.11Å
346R94.7Very high93.9Very high68 Ų6867 Ų6726%0.25736%0.358SS..Hα-helixtrans-62.1-41.3175.9179.5172.959.6-107.28112.5D301 Y316 T342 V343 S350D301-R346 VanDerWaalsContact CG-NH1 3.33Å; D301-R346 IonicContact OD1-CZ 2.88Å; D301-R346 IonicContact OD1-NH1 3.84Å; D301-R346 PolarHBondContact OD1-NH1 2.76Å; D301-R346 IonicContact OD1-NH2 3.44Å; D301-R346 PolarHBondContact OD1-NH2 2.72Å; D301-R346 IonicContact OD2-CZ 3.99Å; D301-R346 IonicContact OD2-NH1 2.75Å; D301-R346 PolarHBondContact OD2-NH1 3.43Å; D301-R346 IonicContact OD2-NH2 3.47Å; Y316-R346 PolarHBondContact OH-NH2 2.84Å; Y316-R346 VanDerWaalsContact OH-NH2 3.09Å; T342-R346 PolarHBondContact O-N 2.92Å; V343-R346 PolarHBondContact O-N 3.32Å; R346-S350 PolarHBondContact O-N 2.89Å; R346-S350 PolarHBondContact O-OG 3.14Å; R346-S350 VanDerWaalsContact O-OG 3.04Å
347L92.8Very high93.1Very high30 Ų3073.1 Ų73.116%0.15738%0.384CS..Hα-helixtrans-66.3-40.3177.7-68.7166000111.6V343 D344 A345 S350 E351 P360 I363V343-L347 HydrophobicContact CG1-CD1 3.99Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 2.65Å; D344-L347 PolarHBondContact O-N 3.26Å; A345-L347 PolarHBondContact O-N 3.38Å; L347-S350 WeakPolarHBondContact O-CB 3.26Å; L347-S350 PolarHBondContact O-N 2.96Å; L347-E351 PolarHBondContact O-N 3.05Å; L347-P360 HydrophobicContact CD2-CB 3.51Å; L347-P360 HydrophobicContact CD2-CG 4.1Å; L347-I363 HydrophobicContact CD1-CB 4.32Å; L347-I363 HydrophobicContact CD1-CD1 4.14Å; L347-I363 HydrophobicContact CD1-CG1 4.06Å; L347-I363 HydrophobicContact CD2-CD1 4.27Å
348K92.7Very high92.5Very high125 Ų12574.5 Ų74.554%0.54340%0.396SS..Hα-helixtrans-60.9-45.6176.9-177.7176.8171.1-178.80112D344 A345 S350 E351 E352D344-K348 WeakPolarHBondContact O-CB 3.22Å; D344-K348 PolarHBondContact O-N 2.88Å; A345-K348 PolarHBondContact O-N 3.18Å; K348-S350 VanDerWaalsContact C-N 3.25Å; K348-S350 PolarHBondContact O-N 2.76Å; K348-E351 PolarHBondContact O-N 3.26Å; K348-E352 WeakPolarHBondContact CE-OE1 3.37Å; K348-E352 IonicContact NZ-OE1 3.2Å; K348-E352 WeakPolarHBondContact O-CG 3.34Å; K348-E352 PolarHBondContact O-N 3.47Å
349I92.1Very high91.9Very high95 Ų9581.6 Ų81.649%0.48743%0.426SS..Hα-helixtrans-58.5-40.6175.8-67.6165.8000110.8A345 E352 L353A345-I349 WeakPolarHBondContact O-CG1 3.05Å; A345-I349 PolarHBondContact O-N 3.29Å; A345-I349 VanDerWaalsContact O-N 3.11Å; I349-E352 PolarHBondContact O-N 2.97Å; I349-L353 HydrophobicContact CG2-CD1 3.68Å; I349-L353 HydrophobicContact CG2-CG 4.17Å; I349-L353 WeakPolarHBondContact O-CB 3.48Å; I349-L353 VanDerWaalsContact O-CG 3.25Å; I349-L353 WeakPolarHBondContact O-CG 3.36Å; I349-L353 PolarHBondContact O-N 2.94Å
350S90.5Very high91.5Very high50 Ų5083.1 Ų83.135%0.3544%0.436SS..Hα-helixtrans-65.6-39.3179-56.40000112.5R346 L347 K348 S354R346-S350 PolarHBondContact O-N 2.89Å; R346-S350 PolarHBondContact O-OG 3.14Å; R346-S350 VanDerWaalsContact O-OG 3.04Å; L347-S350 WeakPolarHBondContact O-CB 3.26Å; L347-S350 PolarHBondContact O-N 2.96Å; K348-S350 VanDerWaalsContact C-N 3.25Å; K348-S350 PolarHBondContact O-N 2.76Å; S350-S354 WeakPolarHBondContact O-CB 3.33Å; S350-S354 PolarHBondContact O-N 2.91Å; S350-S354 VanDerWaalsContact O-N 3.17Å; S350-S354 PolarHBondContact O-OG 3.41Å
351E91.6Very high91.2Very high75 Ų7586.8 Ų86.835%0.3545%0.452SS..Hα-helixtrans-65.7-47.1175.8-175.3171.3-159.200111.2L347 K348 S354 G355 G356L347-E351 PolarHBondContact O-N 3.05Å; K348-E351 PolarHBondContact O-N 3.26Å; E351-S354 PolarHBondContact O-N 2.9Å; E351-S354 PolarHBondContact O-OG 2.94Å; E351-G355 PolarHBondContact O-N 3.08Å; E351-G356 PolarHBondContact O-N 2.89Å; E351-G356 VanDerWaalsContact O-N 3.11Å
352E92.3Very high91.1Very high122 Ų12284 Ų8457%0.5745%0.454SS*.Hα-helixtrans-60.3-48.1177.9-72.1175.2178.400112K348 I349 S354 G355K348-E352 WeakPolarHBondContact CE-OE1 3.37Å; K348-E352 IonicContact NZ-OE1 3.2Å; K348-E352 WeakPolarHBondContact O-CG 3.34Å; K348-E352 PolarHBondContact O-N 3.47Å; I349-E352 PolarHBondContact O-N 2.97Å; E352-S354 VanDerWaalsContact C-N 3.25Å; E352-S354 PolarHBondContact O-N 3.3Å; E352-G355 PolarHBondContact O-N 3.35Å
353L92.1Very high91Very high147 Ų14782.7 Ų82.777%0.7745%0.445SS*.Hα-helixtrans-64.8-28178.6-72174.9000113.1I349 G355I349-L353 HydrophobicContact CG2-CD1 3.68Å; I349-L353 HydrophobicContact CG2-CG 4.17Å; I349-L353 WeakPolarHBondContact O-CB 3.48Å; I349-L353 VanDerWaalsContact O-CG 3.25Å; I349-L353 WeakPolarHBondContact O-CG 3.36Å; I349-L353 PolarHBondContact O-N 2.94Å; L353-G355 PolarHBondContact O-N 3.43Å
354S90.4Very high91Very high31 Ų3187.3 Ų87.322%0.21747%0.47CS..THydrogen-bonded Turntrans-80.2-4176.3790000113.8S350 E351 E352 G356 K357 L358S350-S354 WeakPolarHBondContact O-CB 3.33Å; S350-S354 PolarHBondContact O-N 2.91Å; S350-S354 VanDerWaalsContact O-N 3.17Å; S350-S354 PolarHBondContact O-OG 3.41Å; E351-S354 PolarHBondContact O-N 2.9Å; E351-S354 PolarHBondContact O-OG 2.94Å; E352-S354 VanDerWaalsContact C-N 3.25Å; E352-S354 PolarHBondContact O-N 3.3Å; S354-G356 PolarHBondContact O-N 3.34Å; S354-G356 PolarHBondContact OG-N 3.33Å; S354-K357 WeakPolarHBondContact O-CB 3.43Å; S354-K357 WeakPolarHBondContact O-CG 3.44Å; S354-K357 PolarHBondContact O-N 3.12Å; S354-K357 PolarHBondContact OG-N 3.41Å; S354-L358 PolarHBondContact OG-N 3.47Å; S354-L358 PolarHBondContact OG-O 2.93Å
355G87.5Confident91Very high67 Ų6784.7 Ų84.769%0.69146%0.456SS*.THydrogen-bonded Turntrans61.132.1-171.500000112.6E351 E352 L353 K357E351-G355 PolarHBondContact O-N 3.08Å; E352-G355 PolarHBondContact O-N 3.35Å; L353-G355 PolarHBondContact O-N 3.43Å; G355-K357 VanDerWaalsContact C-N 3.26Å; G355-K357 PolarHBondContact O-N 2.87Å
356G82.4Confident91.1Very high49 Ų4984.5 Ų84.551%0.50545%0.446SS..THydrogen-bonded Turntrans74.55.8-17700000115.4E351 S354E351-G356 PolarHBondContact O-N 2.89Å; E351-G356 VanDerWaalsContact O-N 3.11Å; S354-G356 PolarHBondContact O-N 3.34Å; S354-G356 PolarHBondContact OG-N 3.33Å
357K82.6Confident91.3Very high198 Ų19881.5 Ų81.586%0.86144%0.435SS*.SBendtrans-72.8-29.9177.3-66.6179.3-179.2177.20112.6S354 G355S354-K357 WeakPolarHBondContact O-CB 3.43Å; S354-K357 WeakPolarHBondContact O-CG 3.44Å; S354-K357 PolarHBondContact O-N 3.12Å; S354-K357 PolarHBondContact OG-N 3.41Å; G355-K357 VanDerWaalsContact C-N 3.26Å; G355-K357 PolarHBondContact O-N 2.87Å
358L84Confident91.4Very high102 Ų10280.1 Ų80.153%0.53443%0.428SS..  trans-113116.9177.4-172.1125.9000108.2S354 P360S354-L358 PolarHBondContact OG-N 3.47Å; S354-L358 PolarHBondContact OG-O 2.93Å; L358-P360 HydrophobicContact CD2-CG 3.74Å; L358-P360 WeakPolarHBondContact O-CD 3.49Å
359K87Confident91.5Very high170 Ų17076.9 Ų76.974%0.73942%0.419SS*.  trans-110.193.3175.5-168.4172.5-172.6173.70109.6K361K359-K361 PolarHBondContact O-N 2.94Å
360P88.5Confident91.6Very high32 Ų3272.9 Ų72.921%0.20840%0.398CS..PPolyproline II helixtrans-58.5135.1178.7-21.632.5000110.6L347 L358L347-P360 HydrophobicContact CD2-CB 3.51Å; L347-P360 HydrophobicContact CD2-CG 4.1Å; L358-P360 HydrophobicContact CD2-CG 3.74Å; L358-P360 WeakPolarHBondContact O-CD 3.49Å
361K92.6Very high91.7Very high155 Ų15579.1 Ų79.167%0.67442%0.422SS*.PPolyproline II helixtrans-61.6129.4168.3-179.8-179.2179.9178.50108.5R313 K359R313-K361 PolarHBondContact NH1-O 3.38Å; R313-K361 PolarHBondContact NH2-O 3.03Å; K359-K361 PolarHBondContact O-N 2.94Å
362P93.9Very high91.8Very high94 Ų9476.5 Ų76.561%0.6141%0.409SS*.PPolyproline II helixtrans-49.5142.8175.9-28.635.3000111.7R313R313-P362 PolarHBondContact NH1-O 3.31Å
363I95.4Very high91.8Very high17 Ų1771.3 Ų71.39%0.08739%0.385CS..PPolyproline II helixtrans-90.2126.3174.9-66.8171.3000107.2Y316 V343 L347 V365Y316-I363 HydrophobicContact CD1-CG2 4.42Å; Y316-I363 HydrophobicContact CD2-CG2 3.58Å; Y316-I363 HydrophobicContact CE2-CD1 4.37Å; Y316-I363 HydrophobicContact CE2-CG2 4.29Å; Y316-I363 HydrophobicContact CG-CG2 3.67Å; V343-I363 HydrophobicContact CG1-CB 3.67Å; V343-I363 HydrophobicContact CG1-CD1 3.64Å; V343-I363 HydrophobicContact CG1-CG1 4.15Å; V343-I363 HydrophobicContact CG1-CG2 4.02Å; L347-I363 HydrophobicContact CD1-CB 4.32Å; L347-I363 HydrophobicContact CD1-CD1 4.14Å; L347-I363 HydrophobicContact CD1-CG1 4.06Å; L347-I363 HydrophobicContact CD2-CD1 4.27Å; I363-V365 HydrophobicContact CG2-CG2 4.08Å
364D95.8Very high91.9Very high97 Ų9771.5 Ų71.552%0.51938%0.376SS..PPolyproline II helixtrans-83123.6173.5-16916.1000108.3Y316Y316-D364 CarbonylContact C-O 3.23Å; Y316-D364 WeakPolarHBondContact CB-O 3.44Å
365V97.4Very high92.2Very high4 Ų471 Ų712%0.02437%0.369CS..  trans-119.1118.6-177.1-179.70000107.4Y316 Q336 L339 K340 V343 I363Y316-V365 HydrophobicContact CD1-CG2 4.14Å; Y316-V365 HydrophobicContact CG-CG2 4.5Å; Y316-V365 WeakPolarHBondContact O-CA 3.4Å; Q336-V365 HydrophobicContact CG-CG1 4.31Å; Q336-V365 PolarHBondContact NE2-O 3.37Å; L339-V365 HydrophobicContact CB-CG1 4.26Å; L339-V365 HydrophobicContact CD2-CG1 3.6Å; L339-V365 HydrophobicContact CG-CG1 3.86Å; K340-V365 HydrophobicContact CB-CB 4.44Å; V343-V365 HydrophobicContact CG2-CG2 4.48Å; I363-V365 HydrophobicContact CG2-CG2 4.08Å
366Q97.3Very high92.6Very high46 Ų4667.8 Ų67.822%0.21534%0.337CS..  trans-135.9120.1-177.3175.8179.18.100109.8Q157 Y316 K317 V319Q157-Q366 PolarHBondContact O-NE2 3.24Å; Y316-Q366 PolarHBondContact O-N 2.99Å; K317-Q366 WeakPolarHBondContact O-CB 3.44Å; V319-Q366 PolarHBondContact N-O 2.71Å
367V97.9Very high93.4Very high5 Ų565.8 Ų65.83%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-100.3117.6173.9-1800000108.4V319 L321 L335 Q336V319-V367 HydrophobicContact CB-CG2 4.1Å; V319-V367 HydrophobicContact CG1-CG2 4.22Å; V319-V367 CarbonylContact O-C 3.48Å; V319-V367 WeakPolarHBondContact O-CA 3.16Å; L321-V367 HydrophobicContact CD1-CG1 3.88Å; L321-V367 HydrophobicContact CD2-CG1 3.98Å; L321-V367 HydrophobicContact CG-CG1 3.83Å; L335-V367 HydrophobicContact CB-CG2 4.45Å; L335-V367 HydrophobicContact CD2-CG1 4.1Å; L335-V367 HydrophobicContact CD2-CG2 3.97Å; L335-V367 HydrophobicContact CG-CG2 4.09Å; Q336-V367 HydrophobicContact CB-CB 4.04Å; Q336-V367 HydrophobicContact CB-CG2 3.64Å; Q336-V367 HydrophobicContact CG-CG2 4.26Å
368V96.2Very high94.1Very high1 Ų156.3 Ų56.31%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-87.8115.4-176.4-176.30000109.5V158 V319 V320V158-V368 HydrophobicContact CG2-CG1 4.14Å; V158-V368 HydrophobicContact CG2-CG2 4.3Å; V319-V368 PolarHBondContact O-N 2.86Å; V320-V368 HydrophobicContact CG2-CB 4.29Å; V320-V368 HydrophobicContact CG2-CG2 4.48Å
369T94.8Very high94.8Very high57 Ų5752.4 Ų52.435%0.3525%0.252SS..  trans-100.9144.2165.255.40000109.6S155 L321 Q373S155-T369 PolarHBondContact OG-O 3.26Å; L321-T369 HydrophobicContact CD1-CG2 3.86Å; T369-Q373 VanDerWaalsContact CA-OE1 3.24Å; T369-Q373 VanDerWaalsContact CB-OE1 3.28Å
370H93.7Very high95.3Very high12 Ų1244.3 Ų44.36%0.05622%0.217CC..  trans-153159.7179.966.9100.4000111.8M372 Q373H370-M372 PolarHBondContact ND1-N 3.41Å; H370-M372 PolarHBondContact O-N 2.87Å; H370-Q373 PolarHBondContact CE1-N 3.01Å; H370-Q373 WeakPolarHBondContact O-CB 3.34Å; H370-Q373 WeakPolarHBondContact O-CG 3.45Å; H370-Q373 PolarHBondContact O-N 3.2Å; H370-Q373 PolarHBondContact O-OE1 2.61Å; H370-Q373 VanDerWaalsContact O-OE1 3.13Å
371H92.4Very high95.7Very high181 Ų18142.8 Ų42.884%0.83821%0.207SC*.THydrogen-bonded Turntrans-65.3-24.2-173.2-64.3-62.7000114Q373H371-Q373 VanDerWaalsContact C-N 3.34Å
372M93.1Very high95.9Very high19 Ų1935.5 Ų35.59%0.09418%0.175CC..THydrogen-bonded Turntrans-90.54.7-175.9-46.4-53.8-77.700113.3T25 H370 R374 Y375 A376 F379T25-M372 HydrophobicContact CG2-CE 3.34Å; T25-M372 HydrophobicContact CG2-SD 4.27Å; T25-M372 WeakPolarHBondContact O-CE 3.33Å; H370-M372 PolarHBondContact ND1-N 3.41Å; H370-M372 PolarHBondContact O-N 2.87Å; M372-R374 VanDerWaalsContact C-N 3.27Å; M372-R374 PolarHBondContact O-N 3.32Å; M372-R374 VanDerWaalsContact O-N 3.15Å; M372-Y375 HydrophobicContact CE-CD2 4.5Å; M372-Y375 HydrophobicContact CE-CE2 3.36Å; M372-Y375 VanDerWaalsContact CE-OH 3.26Å; M372-Y375 WeakPolarHBondContact CE-OH 3.48Å; M372-Y375 CarbonylContact O-C 3.5Å; M372-Y375 PolarHBondContact O-N 3.14Å; M372-Y375 HydrophobicContact SD-CE2 4.43Å; M372-A376 VanDerWaalsContact O-CA 3.23Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 3.39Å; M372-F379 HydrophobicContact CB-CB 4.35Å; M372-F379 HydrophobicContact CB-CD1 3.67Å; M372-F379 HydrophobicContact CB-CE1 4.16Å; M372-F379 HydrophobicContact CB-CG 4.06Å; M372-F379 HydrophobicContact CE-CB 4.21Å; M372-F379 HydrophobicContact CE-CD1 4.07Å; M372-F379 HydrophobicContact CE-CD2 3.31Å; M372-F379 HydrophobicContact CE-CE1 4.27Å; M372-F379 HydrophobicContact CE-CE2 3.55Å; M372-F379 HydrophobicContact CE-CG 3.58Å; M372-F379 HydrophobicContact CE-CZ 4.01Å; M372-F379 HydrophobicContact CG-CD1 3.69Å; M372-F379 HydrophobicContact CG-CE1 3.68Å; M372-F379 HydrophobicContact CG-CG 4.13Å; M372-F379 HydrophobicContact CG-CZ 4.12Å
373Q93.7Very high96Very high14 Ų1434 Ų347%0.06516%0.161CC..G310 helixtrans-51.2-40.8-173.6-86.4178.7-102.800113.9L321 G323 T326 M327 T369 H370 H371 Y375 A376L321-Q373 HydrophobicContact CB-CG 4.38Å; G323-Q373 PolarHBondContact N-O 3.36Å; T326-Q373 PolarHBondContact OG1-NE2 3.48Å; M327-Q373 HydrophobicContact SD-CB 3.38Å; M327-Q373 WeakPolarHBondContact SD-CB 3.42Å; T369-Q373 VanDerWaalsContact CA-OE1 3.24Å; T369-Q373 VanDerWaalsContact CB-OE1 3.28Å; H370-Q373 PolarHBondContact CE1-N 3.01Å; H370-Q373 WeakPolarHBondContact O-CB 3.34Å; H370-Q373 WeakPolarHBondContact O-CG 3.45Å; H370-Q373 PolarHBondContact O-N 3.2Å; H370-Q373 PolarHBondContact O-OE1 2.61Å; H370-Q373 VanDerWaalsContact O-OE1 3.13Å; H371-Q373 VanDerWaalsContact C-N 3.34Å; Q373-Y375 PolarHBondContact O-N 3Å; Q373-Y375 VanDerWaalsContact O-N 3.17Å; Q373-A376 PolarHBondContact O-N 3.31Å
374R94.3Very high96Very high151 Ų15133.7 Ų33.757%0.5716%0.159SC*.G310 helixtrans-56.6-35.9-175.5-177.6178.3-178.2-178.21.9112.9M327 M372M327-R374 HydrophobicContact CE-CB 4.34Å; M327-R374 HydrophobicContact CG-CB 4.18Å; M327-R374 HydrophobicContact SD-CB 4.02Å; M327-R374 PolarHBondContact SD-N 3.17Å; M372-R374 VanDerWaalsContact C-N 3.27Å; M372-R374 PolarHBondContact O-N 3.32Å; M372-R374 VanDerWaalsContact O-N 3.15Å
375Y95.7Very high96.1Very high19 Ų1929 Ų298%0.07514%0.135CC..G310 helixtrans-133.536.5-178.350.2-95.4000110.3T25 E26 M372 Q373 V377 W378 F379T25-Y375 VanDerWaalsContact O-CE2 3.27Å; T25-Y375 WeakPolarHBondContact O-CE2 3.46Å; E26-Y375 HydrophobicContact CB-CE2 4.43Å; E26-Y375 HydrophobicContact CG-CE2 4.43Å; E26-Y375 VanDerWaalsContact CG-OH 3.26Å; E26-Y375 WeakPolarHBondContact CG-OH 3.37Å; E26-Y375 PolarHBondContact OE1-OH 3.27Å; M372-Y375 HydrophobicContact CE-CD2 4.5Å; M372-Y375 HydrophobicContact CE-CE2 3.36Å; M372-Y375 VanDerWaalsContact CE-OH 3.26Å; M372-Y375 WeakPolarHBondContact CE-OH 3.48Å; M372-Y375 CarbonylContact O-C 3.5Å; M372-Y375 PolarHBondContact O-N 3.14Å; M372-Y375 HydrophobicContact SD-CE2 4.43Å; Q373-Y375 PolarHBondContact O-N 3Å; Q373-Y375 VanDerWaalsContact O-N 3.17Å; Y375-V377 VanDerWaalsContact C-N 3.26Å; Y375-V377 PolarHBondContact O-N 3.43Å; Y375-W378 HydrophobicContact CD2-CE3 4.35Å; Y375-W378 PolarHBondContact O-N 3.05Å; Y375-F379 HydrophobicContact CD2-CB 3.92Å; Y375-F379 HydrophobicContact CE2-CB 4.12Å; Y375-F379 PolarHBondContact O-N 3.49Å
376A97.1Very high96Very high1 Ų131.7 Ų31.71%0.00815%0.153CC..Hα-helixtrans-53.4-43.7-173.900000112.1A148 A151 M372 Q373 F379 G380A148-A376 HydrophobicContact CB-CB 4.44Å; A151-A376 HydrophobicContact CB-CB 3.99Å; A151-A376 VanDerWaalsContact CB-O 3.25Å; A151-A376 WeakPolarHBondContact CB-O 3.33Å; M372-A376 VanDerWaalsContact O-CA 3.23Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 3.39Å; Q373-A376 PolarHBondContact O-N 3.31Å; A376-F379 PolarHBondContact O-N 3.12Å; A376-G380 PolarHBondContact O-N 3.39Å
377V97.3Very high95.9Very high6 Ų631.5 Ų31.54%0.03616%0.155CC..Hα-helixtrans-55.3-56.3174.8179.30000111.2D11 T113 Q144 L147 Y375 F379 G380 G381D11-V377 HydrophobicContact CB-CG1 4.44Å; T113-V377 HydrophobicContact CG2-CG1 3.73Å; Q144-V377 HydrophobicContact CB-CG1 4.08Å; Q144-V377 HydrophobicContact CB-CG2 4.04Å; Q144-V377 HydrophobicContact CG-CG1 3.84Å; Q144-V377 HydrophobicContact CG-CG2 4.44Å; L147-V377 HydrophobicContact CB-CG1 4.26Å; L147-V377 WeakPolarHBondContact CB-O 3.41Å; L147-V377 HydrophobicContact CD1-CG1 3.85Å; L147-V377 WeakPolarHBondContact CD1-O 3.49Å; Y375-V377 VanDerWaalsContact C-N 3.26Å; Y375-V377 PolarHBondContact O-N 3.43Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.21Å; V377-G380 PolarHBondContact O-N 2.93Å; V377-G381 PolarHBondContact O-N 3.07Å
378W98.3Very high95.7Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-62.2-42-178.5-175.391.9000111.8V9 D11 K18 N24 E26 P27 Y375 G381 S382V9-W378 HydrophobicContact CB-CZ2 4.45Å; V9-W378 HydrophobicContact CG1-CG 4.31Å; V9-W378 PolarHBondContact O-NE1 3.02Å; D11-W378 HydrophobicContact CB-CB 4.14Å; K18-W378 HydrophobicContact CB-CB 4.22Å; K18-W378 HydrophobicContact CB-CG 4.08Å; K18-W378 VanDerWaalsContact O-CD1 3.27Å; N24-W378 HydrophobicContact CB-CH2 4.06Å; N24-W378 WeakPolarHBondContact O-CZ3 3.28Å; E26-W378 VanDerWaalsContact C-CH2 3.44Å; E26-W378 VanDerWaalsContact O-CH2 3.26Å; E26-W378 WeakPolarHBondContact O-CH2 3.36Å; E26-W378 WeakPolarHBondContact O-CZ3 3.41Å; P27-W378 HydrophobicContact CB-CD2 3.73Å; P27-W378 HydrophobicContact CB-CE3 4.1Å; P27-W378 HydrophobicContact CB-CG 4.15Å; P27-W378 HydrophobicContact CB-CH2 4.46Å; P27-W378 HydrophobicContact CB-CZ2 4.12Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.31Å; P27-W378 HydrophobicContact CG-CE3 4.35Å; P27-W378 VanDerWaalsContact N-CZ3 3.28Å; Y375-W378 HydrophobicContact CD2-CE3 4.35Å; Y375-W378 PolarHBondContact O-N 3.05Å; W378-G381 CarbonylContact O-C 3.58Å; W378-G381 PolarHBondContact O-N 3.33Å; W378-S382 PolarHBondContact O-N 2.89Å
379F98.1Very high95.6Very high20 Ų2038.8 Ų38.89%0.08820%0.197CC..Hα-helixtrans-65.5-43.3179175-110.3000112.3T25 A151 T154 M372 Y375 A376 V377 G381 S382 M383T25-F379 HydrophobicContact CG2-CE2 4.36Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.44Å; A151-F379 HydrophobicContact CB-CD1 3.78Å; A151-F379 HydrophobicContact CB-CE1 4.5Å; T154-F379 HydrophobicContact CG2-CE1 3.47Å; T154-F379 VanDerWaalsContact CG2-CE1 3.47Å; T154-F379 HydrophobicContact CG2-CZ 3.71Å; M372-F379 HydrophobicContact CB-CB 4.35Å; M372-F379 HydrophobicContact CB-CD1 3.67Å; M372-F379 HydrophobicContact CB-CE1 4.16Å; M372-F379 HydrophobicContact CB-CG 4.06Å; M372-F379 HydrophobicContact CE-CB 4.21Å; M372-F379 HydrophobicContact CE-CD1 4.07Å; M372-F379 HydrophobicContact CE-CD2 3.31Å; M372-F379 HydrophobicContact CE-CE1 4.27Å; M372-F379 HydrophobicContact CE-CE2 3.55Å; M372-F379 HydrophobicContact CE-CG 3.58Å; M372-F379 HydrophobicContact CE-CZ 4.01Å; M372-F379 HydrophobicContact CG-CD1 3.69Å; M372-F379 HydrophobicContact CG-CE1 3.68Å; M372-F379 HydrophobicContact CG-CG 4.13Å; M372-F379 HydrophobicContact CG-CZ 4.12Å; Y375-F379 HydrophobicContact CD2-CB 3.92Å; Y375-F379 HydrophobicContact CE2-CB 4.12Å; Y375-F379 PolarHBondContact O-N 3.49Å; A376-F379 PolarHBondContact O-N 3.12Å; V377-F379 VanDerWaalsContact C-N 3.34Å; V377-F379 PolarHBondContact O-N 3.21Å; F379-G381 VanDerWaalsContact C-N 3.29Å; F379-G381 PolarHBondContact O-N 2.99Å; F379-S382 PolarHBondContact O-N 3.39Å; F379-M383 HydrophobicContact CD1-CG 4.48Å; F379-M383 HydrophobicContact CD1-SD 4.02Å; F379-M383 HydrophobicContact CD2-CG 4.36Å; F379-M383 HydrophobicContact CE1-CG 4.03Å; F379-M383 HydrophobicContact CE1-SD 3.24Å; F379-M383 WeakPolarHBondContact CE1-SD 3.2Å; F379-M383 HydrophobicContact CE2-CG 3.9Å; F379-M383 HydrophobicContact CE2-SD 4.09Å; F379-M383 HydrophobicContact CZ-CG 3.73Å; F379-M383 HydrophobicContact CZ-SD 3.29Å; F379-M383 WeakPolarHBondContact CZ-SD 3.46Å; F379-M383 WeakPolarHBondContact O-CG 3.11Å; F379-M383 PolarHBondContact O-N 3.09Å
380G96.9Very high95.7Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-58.8-42.1172.300000111.7A376 V377 M383 L384A376-G380 PolarHBondContact O-N 3.39Å; V377-G380 PolarHBondContact O-N 2.93Å; G380-M383 PolarHBondContact O-N 3.08Å; G380-L384 WeakPolarHBondContact O-CB 3.4Å; G380-L384 WeakPolarHBondContact O-CG 3.36Å; G380-L384 PolarHBondContact O-N 3.46Å
381G97.6Very high95.8Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-60.7-46.8172.800000112.9V377 W378 F379 M383 L384 A385V377-G381 PolarHBondContact O-N 3.07Å; W378-G381 CarbonylContact O-C 3.58Å; W378-G381 PolarHBondContact O-N 3.33Å; F379-G381 VanDerWaalsContact C-N 3.29Å; F379-G381 PolarHBondContact O-N 2.99Å; G381-M383 PolarHBondContact O-N 3.09Å; G381-L384 PolarHBondContact O-N 3.3Å; G381-A385 WeakPolarHBondContact O-CB 3.47Å; G381-A385 PolarHBondContact O-N 3.42Å
382S98.1Very high96Very high2 Ų236.9 Ų36.91%0.01418%0.183CC..Hα-helixtrans-60.4-42.5176.5179.80000112.3G23 N24 W378 F379 S386G23-S382 PolarHBondContact N-O 2.92Å; G23-S382 PolarHBondContact N-OG 3.33Å; N24-S382 PolarHBondContact N-OG 3.08Å; N24-S382 PolarHBondContact O-OG 2.98Å; W378-S382 PolarHBondContact O-N 2.89Å; F379-S382 PolarHBondContact O-N 3.39Å; S382-S386 PolarHBondContact O-N 3.22Å; S382-S386 PolarHBondContact O-OG 2.71Å
383M95.9Very high96.2Very high62 Ų6237.5 Ų37.531%0.30519%0.188SC..Hα-helixtrans-63.8-50.3175.7-74.6-172.268.600112T154 F379 G380 G381 S386T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.03Å; F379-M383 HydrophobicContact CD1-CG 4.48Å; F379-M383 HydrophobicContact CD1-SD 4.02Å; F379-M383 HydrophobicContact CD2-CG 4.36Å; F379-M383 HydrophobicContact CE1-CG 4.03Å; F379-M383 HydrophobicContact CE1-SD 3.24Å; F379-M383 WeakPolarHBondContact CE1-SD 3.2Å; F379-M383 HydrophobicContact CE2-CG 3.9Å; F379-M383 HydrophobicContact CE2-SD 4.09Å; F379-M383 HydrophobicContact CZ-CG 3.73Å; F379-M383 HydrophobicContact CZ-SD 3.29Å; F379-M383 WeakPolarHBondContact CZ-SD 3.46Å; F379-M383 WeakPolarHBondContact O-CG 3.11Å; F379-M383 PolarHBondContact O-N 3.09Å; G380-M383 PolarHBondContact O-N 3.08Å; G381-M383 PolarHBondContact O-N 3.09Å; M383-S386 WeakPolarHBondContact O-CB 3.44Å; M383-S386 PolarHBondContact O-N 2.71Å
384L95.3Very high96.4Very high10 Ų1037.2 Ų37.25%0.05219%0.187CC..Hα-helixtrans-67.2-42.9-177.6-70.8-176.3000111.6L147 A150 W153 G380 G381 S386 T387 F390 F414L147-L384 HydrophobicContact CD2-CD1 3.64Å; A150-L384 HydrophobicContact CB-CD1 4.24Å; A150-L384 HydrophobicContact CB-CG 4.36Å; W153-L384 HydrophobicContact CZ3-CD2 4.37Å; G380-L384 WeakPolarHBondContact O-CB 3.4Å; G380-L384 WeakPolarHBondContact O-CG 3.36Å; G380-L384 PolarHBondContact O-N 3.46Å; G381-L384 PolarHBondContact O-N 3.3Å; L384-S386 PolarHBondContact O-N 3.41Å; L384-S386 VanDerWaalsContact O-N 3.11Å; L384-T387 PolarHBondContact O-N 2.87Å; L384-T387 PolarHBondContact O-OG1 2.94Å; L384-F390 WeakPolarHBondContact O-CB 3.44Å; L384-F414 HydrophobicContact CB-CE2 3.96Å; L384-F414 HydrophobicContact CB-CZ 3.71Å; L384-F414 HydrophobicContact CD1-CZ 4.39Å; L384-F414 HydrophobicContact CD2-CE2 4.17Å; L384-F414 HydrophobicContact CG-CZ 4.43Å
385A97.1Very high96.6Very high0 Ų031.4 Ų31.40%017%0.166CC..THydrogen-bonded Turntrans-67.7-9.7177.400000114A7 V9 A22 L111 G381 F390A7-A385 HydrophobicContact CB-CB 4.18Å; V9-A385 HydrophobicContact CG2-CB 4.09Å; A22-A385 HydrophobicContact CB-CB 3.69Å; L111-A385 HydrophobicContact CB-CB 4.46Å; L111-A385 HydrophobicContact CD1-CB 4.08Å; G381-A385 WeakPolarHBondContact O-CB 3.47Å; G381-A385 PolarHBondContact O-N 3.42Å; A385-F390 HydrophobicContact CB-CD1 4.12Å; A385-F390 HydrophobicContact CB-CD2 4.14Å; A385-F390 HydrophobicContact CB-CE1 4.06Å; A385-F390 HydrophobicContact CB-CE2 4.04Å; A385-F390 HydrophobicContact CB-CG 4.17Å; A385-F390 HydrophobicContact CB-CZ 4.01Å
386S95.8Very high96.7Very high60 Ų6032.1 Ų32.142%0.4217%0.173SC..THydrogen-bonded Turntrans-85.8-9.8172.9-590000113.5G23 S382 M383 L384G23-S386 WeakPolarHBondContact CA-OG 3.28Å; G23-S386 PolarHBondContact N-OG 2.85Å; S382-S386 PolarHBondContact O-N 3.22Å; S382-S386 PolarHBondContact O-OG 2.71Å; M383-S386 WeakPolarHBondContact O-CB 3.44Å; M383-S386 PolarHBondContact O-N 2.71Å; L384-S386 PolarHBondContact O-N 3.41Å; L384-S386 VanDerWaalsContact O-N 3.11Å
387T94.4Very high96.8Very high42 Ų4234.4 Ų34.426%0.25818%0.183SC..SBendtrans-88.1153.2-177.675.20000111.5L384 E389 F390L384-T387 PolarHBondContact O-N 2.87Å; L384-T387 PolarHBondContact O-OG1 2.94Å; T387-E389 PolarHBondContact O-N 3.18Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 PolarHBondContact O-N 2.92Å; T387-F390 PolarHBondContact OG1-N 2.8Å
388P94.3Very high96.8Very high98 Ų9840 Ų4064%0.63621%0.207SC*.THydrogen-bonded Turntrans-61.6-31.6173.2-24.535.2000113.6F390 Y391P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.18Å; P388-Y391 PolarHBondContact O-N 2.78Å
389E94.9Very high96.8Very high60 Ų6042.8 Ų42.828%0.2822%0.221SC..THydrogen-bonded Turntrans-61.3-35.1179-71.8170-160.400112.3T387 Y391 Q392 V393 F414 G415T387-E389 PolarHBondContact O-N 3.18Å; E389-Y391 PolarHBondContact O-N 3.29Å; E389-Q392 WeakPolarHBondContact O-CB 3.36Å; E389-Q392 PolarHBondContact O-N 3.39Å; E389-V393 PolarHBondContact O-N 3.25Å; E389-F414 HydrophobicContact CB-CD2 3.84Å; E389-F414 HydrophobicContact CB-CE2 4.41Å; E389-G415 PolarHBondContact OE2-N 2.68Å
390F96.7Very high96.8Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-52.2-44.9177.5169.9-108.9000112.2A7 L111 Y140 L384 A385 T387 P388 Q392 V393 C394 F414A7-F390 HydrophobicContact CB-CD1 4.46Å; A7-F390 HydrophobicContact CB-CE1 3.62Å; A7-F390 HydrophobicContact CB-CZ 4.18Å; L111-F390 HydrophobicContact CB-CE2 4.01Å; L111-F390 HydrophobicContact CB-CZ 4.13Å; L111-F390 HydrophobicContact CD1-CD2 4.44Å; L111-F390 HydrophobicContact CD1-CE2 3.92Å; L111-F390 HydrophobicContact CG-CE2 4.34Å; Y140-F390 HydrophobicContact CG-CE2 4.24Å; L384-F390 WeakPolarHBondContact O-CB 3.44Å; A385-F390 HydrophobicContact CB-CD1 4.12Å; A385-F390 HydrophobicContact CB-CD2 4.14Å; A385-F390 HydrophobicContact CB-CE1 4.06Å; A385-F390 HydrophobicContact CB-CE2 4.04Å; A385-F390 HydrophobicContact CB-CG 4.17Å; A385-F390 HydrophobicContact CB-CZ 4.01Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 PolarHBondContact O-N 2.92Å; T387-F390 PolarHBondContact OG1-N 2.8Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.18Å; F390-Q392 PolarHBondContact O-N 3.14Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 3.18Å; F390-C394 WeakPolarHBondContact CE2-SG 3.33Å; F390-C394 WeakPolarHBondContact CZ-SG 3.24Å; F390-C394 PolarHBondContact O-N 3.15Å; F390-C394 PolarHBondContact O-SG 2.83Å; F390-F414 HydrophobicContact CB-CE2 3.99Å; F390-F414 HydrophobicContact CB-CZ 3.89Å; F390-F414 HydrophobicContact CD2-CE1 4.5Å; F390-F414 AromaticContact CD2-CZ 3.91Å; F390-F414 HydrophobicContact CD2-CZ 3.91Å; F390-F414 HydrophobicContact CG-CZ 4.42Å
391Y95.8Very high96.9Very high57 Ų5749 Ų4922%0.22425%0.25CS..Hα-helixtrans-72.8-14.9-178.8-58.4-63000113.9R4 A7 Y109 P388 E389R4-Y391 VanDerWaalsContact NE-CD1 3.28Å; A7-Y391 HydrophobicContact CB-CE1 4.49Å; Y109-Y391 AromaticContact CD1-CD1 3.92Å; Y109-Y391 HydrophobicContact CD1-CD1 3.92Å; Y109-Y391 HydrophobicContact CD1-CE1 4.46Å; Y109-Y391 HydrophobicContact CE1-CD1 4.41Å; Y109-Y391 HydrophobicContact CG-CD1 4.04Å; Y109-Y391 HydrophobicContact CG-CE1 4.14Å; P388-Y391 PolarHBondContact O-N 2.78Å; E389-Y391 PolarHBondContact O-N 3.29Å
392Q95.9Very high96.9Very high154 Ų15455.2 Ų55.272%0.7228%0.279SS*.Hα-helixtrans-85.7-30.2175.2-58.6174.419.500111.8E389 F390E389-Q392 WeakPolarHBondContact O-CB 3.36Å; E389-Q392 PolarHBondContact O-N 3.39Å; F390-Q392 PolarHBondContact O-N 3.14Å
393V96.8Very high96.9Very high31 Ų3160.1 Ų60.119%0.18830%0.304CS..Hα-helixtrans-95.4-13.2-178.7-58.50000113.9Y140 E389 F390 P412 F414Y140-V393 HydrophobicContact CD2-CG2 3.98Å; Y140-V393 HydrophobicContact CE2-CB 4.45Å; Y140-V393 HydrophobicContact CE2-CG2 3.87Å; E389-V393 PolarHBondContact O-N 3.25Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 3.18Å; V393-P412 HydrophobicContact CG1-CB 4.47Å; V393-F414 HydrophobicContact CG1-CB 4.33Å; V393-F414 HydrophobicContact CG2-CD1 3.61Å; V393-F414 HydrophobicContact CG2-CE1 3.69Å; V393-F414 HydrophobicContact CG2-CG 4.14Å; V393-F414 HydrophobicContact CG2-CZ 4.28Å
394C97.6Very high97Very high8 Ų858 Ų585%0.05430%0.298CS..SBendtrans-65.2139.8173.6-74.90000111.1Y109 F390Y109-C394 HydrophobicContact CD1-CB 3.7Å; Y109-C394 HydrophobicContact CE1-CB 3.75Å; F390-C394 WeakPolarHBondContact CE2-SG 3.33Å; F390-C394 WeakPolarHBondContact CZ-SG 3.24Å; F390-C394 PolarHBondContact O-N 3.15Å; F390-C394 PolarHBondContact O-SG 2.83Å
395H98.4Very high97.1Very high29 Ų2959.9 Ų59.913%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-73.5130168.4-61.8-61.4000108.9G138 L139 I407 H410 N411G138-H395 CarbonylContact C-O 3.56Å; G138-H395 WeakPolarHBondContact CA-O 3.29Å; L139-H395 PolarHBondContact N-O 3.48Å; L139-H395 PolarHBondContact O-N 3.44Å; H395-I407 HydrophobicContact CB-CD1 3.87Å; H395-I407 HydrophobicContact CB-CG1 4.25Å; H395-I407 PolarHBondContact CE1-O 2.95Å; H395-I407 PolarHBondContact NE2-O 2.91Å; H395-I407 VanDerWaalsContact NE2-O 3.08Å; H395-H410 PolarHBondContact CE1-O 2.94Å; H395-H410 PolarHBondContact NE2-O 3.07Å; H395-N411 PolarHBondContact CD2-OD1 3.09Å
396T98.5Very high97.1Very high35 Ų3562.9 Ų62.922%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-90155.4179.873.60000111.3P137 K398 D399 Y400P137-T396 WeakPolarHBondContact O-CA 3.44Å; T396-K398 PolarHBondContact O-N 2.97Å; T396-D399 PolarHBondContact O-N 3.28Å; T396-D399 VanDerWaalsContact O-N 3.13Å; T396-D399 PolarHBondContact OG1-N 3.36Å; T396-D399 VanDerWaalsContact OG1-N 3.15Å; T396-D399 PolarHBondContact OG1-OD2 3.44Å; T396-Y400 PolarHBondContact O-N 2.82Å
397K98.3Very high97.2Very high48 Ų4861.3 Ų61.321%0.20932%0.318CS..Hα-helixtrans-56.4-38173.7-168.9176.7-173.5-175.50112.1F131 N135 V136 P137 Y400 E401F131-K397 HydrophobicContact CD1-CB 3.83Å; F131-K397 HydrophobicContact CD1-CG 3.88Å; F131-K397 HydrophobicContact CE1-CB 3.96Å; F131-K397 WeakPolarHBondContact O-CE 3.15Å; N135-K397 PolarHBondContact OD1-NZ 2.99Å; V136-K397 WeakPolarHBondContact O-CB 3.42Å; P137-K397 PolarHBondContact O-N 3.44Å; K397-Y400 WeakPolarHBondContact O-CB 3.3Å; K397-Y400 PolarHBondContact O-N 3.05Å; K397-E401 VanDerWaalsContact CE-OE1 3.28Å; K397-E401 WeakPolarHBondContact CE-OE1 3.31Å; K397-E401 WeakPolarHBondContact O-CG 3.23Å; K397-E401 PolarHBondContact O-N 3.38Å
398K98.2Very high97.4Very high125 Ų12559.4 Ų59.454%0.54331%0.306SS..Hα-helixtrans-59.8-48.9175.9-176.7-171.2170.9-168.60111.5T396 Y400 E401 E402T396-K398 PolarHBondContact O-N 2.97Å; K398-Y400 VanDerWaalsContact C-N 3.28Å; K398-Y400 PolarHBondContact O-N 2.81Å; K398-E401 PolarHBondContact O-N 2.92Å; K398-E402 VanDerWaalsContact CE-CD 3.46Å; K398-E402 WeakPolarHBondContact CE-OE1 3.33Å; K398-E402 HydrophobicContact CG-CG 4.48Å; K398-E402 IonicContact NZ-OE1 3.58Å; K398-E402 WeakPolarHBondContact O-CB 3.4Å; K398-E402 WeakPolarHBondContact O-CG 3.38Å; K398-E402 PolarHBondContact O-N 2.87Å
399D98.1Very high97.5Very high57 Ų5759.1 Ų59.131%0.30529%0.293SS..Hα-helixtrans-64.8-36.7178.9-59.9-42.8000111.1T396 E402 I403 I407T396-D399 PolarHBondContact O-N 3.28Å; T396-D399 VanDerWaalsContact O-N 3.13Å; T396-D399 PolarHBondContact OG1-N 3.36Å; T396-D399 VanDerWaalsContact OG1-N 3.15Å; T396-D399 PolarHBondContact OG1-OD2 3.44Å; D399-E402 PolarHBondContact O-N 2.88Å; D399-I403 HydrophobicContact CB-CD1 4.29Å; D399-I403 VanDerWaalsContact O-CB 3.3Å; D399-I403 WeakPolarHBondContact O-CB 3.49Å; D399-I403 PolarHBondContact O-N 3.2Å; D399-I407 HydrophobicContact CB-CD1 3.79Å
400Y98.6Very high97.5Very high16 Ų1661.3 Ų61.36%0.06330%0.303CS..Hα-helixtrans-61.7-44.7174.6179.4-89.5000112A127 E128 F131 E132 T396 K397 K398 G404 P405A127-Y400 HydrophobicContact CB-CD2 4.38Å; A127-Y400 HydrophobicContact CB-CE2 3.85Å; E128-Y400 WeakPolarHBondContact CA-OH 3.47Å; F131-Y400 HydrophobicContact CB-CD1 3.74Å; F131-Y400 HydrophobicContact CB-CD2 4.46Å; F131-Y400 HydrophobicContact CB-CE1 3.82Å; F131-Y400 HydrophobicContact CB-CE2 4.49Å; F131-Y400 HydrophobicContact CB-CG 4.09Å; F131-Y400 HydrophobicContact CD2-CD1 4.05Å; F131-Y400 AromaticContact CD2-CD2 3.31Å; F131-Y400 HydrophobicContact CD2-CD2 3.31Å; F131-Y400 HydrophobicContact CD2-CE1 4.43Å; F131-Y400 AromaticContact CD2-CE2 3.73Å; F131-Y400 HydrophobicContact CD2-CE2 3.73Å; F131-Y400 AromaticContact CD2-CG 3.48Å; F131-Y400 HydrophobicContact CD2-CG 3.48Å; F131-Y400 VanDerWaalsContact CD2-CG 3.48Å; F131-Y400 AromaticContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CD2 3.74Å; F131-Y400 HydrophobicContact CE2-CE2 4.46Å; F131-Y400 AromaticContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CE2-CG 3.99Å; F131-Y400 HydrophobicContact CG-CD1 4.01Å; F131-Y400 HydrophobicContact CG-CD2 4.11Å; F131-Y400 HydrophobicContact CG-CE1 4.44Å; F131-Y400 AromaticContact CG-CG 3.84Å; F131-Y400 HydrophobicContact CG-CG 3.84Å; E132-Y400 HydrophobicContact CG-CE1 4.14Å; E132-Y400 PolarHBondContact OE1-OH 2.8Å; T396-Y400 PolarHBondContact O-N 2.82Å; K397-Y400 WeakPolarHBondContact O-CB 3.3Å; K397-Y400 PolarHBondContact O-N 3.05Å; K398-Y400 VanDerWaalsContact C-N 3.28Å; K398-Y400 PolarHBondContact O-N 2.81Å; Y400-G404 CarbonylContact O-C 3.54Å; Y400-G404 WeakPolarHBondContact O-CA 3.49Å; Y400-G404 PolarHBondContact O-N 2.75Å; Y400-P405 HydrophobicContact CD2-CB 4.49Å; Y400-P405 HydrophobicContact CE2-CB 3.65Å
401E98.2Very high97.5Very high135 Ų13562.1 Ų62.163%0.63131%0.307SS*.Hα-helixtrans-69.2-36.5177.5-71.1171.4179.600112.6K397 K398K397-E401 VanDerWaalsContact CE-OE1 3.28Å; K397-E401 WeakPolarHBondContact CE-OE1 3.31Å; K397-E401 WeakPolarHBondContact O-CG 3.23Å; K397-E401 PolarHBondContact O-N 3.38Å; K398-E401 PolarHBondContact O-N 2.92Å
402E98.3Very high97.4Very high131 Ų13161.6 Ų61.661%0.61231%0.311SS*.Hα-helixtrans-81.9-37.2-176.8-72-178.717800113.5K398 D399K398-E402 VanDerWaalsContact CE-CD 3.46Å; K398-E402 WeakPolarHBondContact CE-OE1 3.33Å; K398-E402 HydrophobicContact CG-CG 4.48Å; K398-E402 IonicContact NZ-OE1 3.58Å; K398-E402 WeakPolarHBondContact O-CB 3.4Å; K398-E402 WeakPolarHBondContact O-CG 3.38Å; K398-E402 PolarHBondContact O-N 2.87Å; D399-E402 PolarHBondContact O-N 2.88Å
403I98Very high97.2Very high105 Ų10556.3 Ų56.354%0.53829%0.289SS..Hα-helixtrans-107.5-27.3-173.7-56.8161.9000111.6D399 I407D399-I403 HydrophobicContact CB-CD1 4.29Å; D399-I403 VanDerWaalsContact O-CB 3.3Å; D399-I403 WeakPolarHBondContact O-CB 3.49Å; D399-I403 PolarHBondContact O-N 3.2Å; I403-I407 HydrophobicContact CB-CG2 3.74Å; I403-I407 HydrophobicContact CD1-CG2 4.11Å; I403-I407 HydrophobicContact CG2-CG2 3.41Å; I403-I407 VanDerWaalsContact CG2-CG2 3.41Å
404G97.5Very high96.9Very high17 Ų1755.8 Ų55.818%0.17528%0.284CS..  trans95.8177.5-177.500000114.1Y400 S406 I407Y400-G404 CarbonylContact O-C 3.54Å; Y400-G404 WeakPolarHBondContact O-CA 3.49Å; Y400-G404 PolarHBondContact O-N 2.75Å; G404-S406 PolarHBondContact O-N 2.87Å; G404-I407 PolarHBondContact O-N 2.9Å
405P97.6Very high96.1Very high49 Ų4956.3 Ų56.332%0.31829%0.291SS..G310 helixtrans-64.2-16.9-172.425.8-36.4000114.3E124 Y400 I407 C408E124-P405 HydrophobicContact CB-CB 4.14Å; E124-P405 HydrophobicContact CG-CB 4.07Å; Y400-P405 HydrophobicContact CD2-CB 4.49Å; Y400-P405 HydrophobicContact CE2-CB 3.65Å; P405-I407 PolarHBondContact O-N 3.29Å; P405-I407 VanDerWaalsContact O-N 3.08Å; P405-C408 WeakPolarHBondContact O-CB 3.27Å; P405-C408 PolarHBondContact O-N 2.71Å
406S97.8Very high95Very high63 Ų6358 Ų5844%0.44130%0.303SS..G310 helixtrans-58.7-24.5-178.469.70000113.9G404 C408 R409G404-S406 PolarHBondContact O-N 2.87Å; S406-C408 PolarHBondContact O-N 3.46Å; S406-R409 WeakPolarHBondContact O-CB 3.49Å; S406-R409 WeakPolarHBondContact O-CG 3.28Å; S406-R409 PolarHBondContact O-N 2.83Å
407I97.9Very high92.9Very high28 Ų2865.1 Ų65.114%0.14434%0.336CS..G310 helixtrans-62-33.2176.168.9179.8000111.7H395 D399 I403 G404 P405 R409H395-I407 HydrophobicContact CB-CD1 3.87Å; H395-I407 HydrophobicContact CB-CG1 4.25Å; H395-I407 PolarHBondContact CE1-O 2.95Å; H395-I407 PolarHBondContact NE2-O 2.91Å; H395-I407 VanDerWaalsContact NE2-O 3.08Å; D399-I407 HydrophobicContact CB-CD1 3.79Å; I403-I407 HydrophobicContact CB-CG2 3.74Å; I403-I407 HydrophobicContact CD1-CG2 4.11Å; I403-I407 HydrophobicContact CG2-CG2 3.41Å; I403-I407 VanDerWaalsContact CG2-CG2 3.41Å; G404-I407 PolarHBondContact O-N 2.9Å; P405-I407 PolarHBondContact O-N 3.29Å; P405-I407 VanDerWaalsContact O-N 3.08Å; I407-R409 PolarHBondContact O-N 2.94Å
408C97.5Very high90.1Very high1 Ų170.8 Ų70.81%0.00738%0.382CS..G310 helixtrans-76.6-8.3-178-63.30000113.1R123 A127 P405 S406 H410 N411R123-C408 WeakPolarHBondContact CD-O 3.47Å; A127-C408 HydrophobicContact CB-CB 3.79Å; A127-C408 VanDerWaalsContact CB-SG 3.54Å; P405-C408 WeakPolarHBondContact O-CB 3.27Å; P405-C408 PolarHBondContact O-N 2.71Å; S406-C408 PolarHBondContact O-N 3.46Å; C408-H410 PolarHBondContact O-N 2.95Å; C408-N411 PolarHBondContact O-ND2 2.99Å; C408-N411 VanDerWaalsContact O-ND2 3.15Å
409R97.3Very high89.7Confident92 Ų9268.1 Ų68.135%0.34737%0.374SS..G310 helixtrans-62.5-26.6175.3-68.7-172.9175.2-118.5-11.4112.5P120 E121 R123 E124 S406 I407P120-R409 HydrophobicContact CB-CB 4.23Å; P120-R409 HydrophobicContact CB-CG 3.87Å; E121-R409 IonicContact OE1-CZ 3.3Å; E121-R409 IonicContact OE1-NH1 3.38Å; E121-R409 PolarHBondContact OE1-NH1 3.17Å; E121-R409 IonicContact OE1-NH2 3.1Å; E121-R409 PolarHBondContact OE1-NH2 3.06Å; R123-R409 WeakPolarHBondContact CD-O 3.37Å; R123-R409 PolarHBondContact NH1-O 3.22Å; E124-R409 HydrophobicContact CG-CG 4.13Å; E124-R409 IonicContact OE1-CZ 3.63Å; E124-R409 VanDerWaalsContact OE1-CZ 3.3Å; E124-R409 IonicContact OE1-NE 3.74Å; E124-R409 PolarHBondContact OE1-NE 3.3Å; E124-R409 IonicContact OE1-NH2 2.77Å; E124-R409 PolarHBondContact OE1-NH2 3.19Å; E124-R409 VanDerWaalsContact OE1-NH2 3.1Å; E124-R409 IonicContact OE2-CZ 3.77Å; E124-R409 IonicContact OE2-NE 2.98Å; E124-R409 IonicContact OE2-NH2 3.59Å; E124-R409 PolarHBondContact OE2-NH2 3.48Å; S406-R409 WeakPolarHBondContact O-CB 3.49Å; S406-R409 WeakPolarHBondContact O-CG 3.28Å; S406-R409 PolarHBondContact O-N 2.83Å; I407-R409 PolarHBondContact O-N 2.94Å
410H95.3Very high89.3Confident107 Ų10768.6 Ų68.650%0.49538%0.377SS..  trans-130.3128.4178.5179.268.2000111.1H395 C408H395-H410 PolarHBondContact CE1-O 2.94Å; H395-H410 PolarHBondContact NE2-O 3.07Å; C408-H410 PolarHBondContact O-N 2.95Å
411N95.4Very high88.8Confident16 Ų1671.6 Ų71.69%0.08640%0.395CS..  trans-118115.4178.2-65.9-89.8000108.2Y140 I141 H395 C408 V413Y140-N411 HydrophobicContact CD2-CB 4.16Å; Y140-N411 HydrophobicContact CE2-CB 3.77Å; I141-N411 PolarHBondContact N-OD1 2.72Å; I141-N411 VanDerWaalsContact N-OD1 3.16Å; I141-N411 VanDerWaalsContact O-CB 3.27Å; I141-N411 WeakPolarHBondContact O-CB 3.07Å; I141-N411 VanDerWaalsContact O-CG 3.28Å; I141-N411 PolarHBondContact O-ND2 2.62Å; H395-N411 PolarHBondContact CD2-OD1 3.09Å; C408-N411 PolarHBondContact O-ND2 2.99Å; C408-N411 VanDerWaalsContact O-ND2 3.15Å; N411-V413 PolarHBondContact O-N 3Å
412P93.6Very high88.2Confident46 Ų4667.8 Ų67.830%0.29938%0.381SS..  trans-65.3131.8-174.6-22.433.1000112.6Y140 V393Y140-P412 WeakPolarHBondContact CE2-O 3.26Å; Y140-P412 PolarHBondContact OH-O 2.91Å; V393-P412 HydrophobicContact CG1-CB 4.47Å
413V91.5Very high87.6Confident44 Ų4463.9 Ų63.927%0.26737%0.366SS..  trans-73.9142.7175.1179.90000110.9V146 L163 G183 N411V146-V413 HydrophobicContact CG1-CG1 4.19Å; L163-V413 HydrophobicContact CD1-CG1 3.45Å; L163-V413 VanDerWaalsContact CD1-CG1 3.45Å; G183-V413 WeakPolarHBondContact O-CG2 3.37Å; N411-V413 PolarHBondContact O-N 3Å
414F91.6Very high86.9Confident19 Ų1961.1 Ų61.18%0.08336%0.355CS..  trans-145.7176-17868.9-77.1000112.5Y140 L384 E389 F390 V393Y140-F414 HydrophobicContact CE1-CE1 4.19Å; Y140-F414 HydrophobicContact CE2-CD1 4.37Å; Y140-F414 HydrophobicContact CE2-CE1 4.09Å; Y140-F414 AromaticContact CZ-CE1 3.83Å; L384-F414 HydrophobicContact CB-CE2 3.96Å; L384-F414 HydrophobicContact CB-CZ 3.71Å; L384-F414 HydrophobicContact CD1-CZ 4.39Å; L384-F414 HydrophobicContact CD2-CE2 4.17Å; L384-F414 HydrophobicContact CG-CZ 4.43Å; E389-F414 HydrophobicContact CB-CD2 3.84Å; E389-F414 HydrophobicContact CB-CE2 4.41Å; F390-F414 HydrophobicContact CB-CE2 3.99Å; F390-F414 HydrophobicContact CB-CZ 3.89Å; F390-F414 HydrophobicContact CD2-CE1 4.5Å; F390-F414 AromaticContact CD2-CZ 3.91Å; F390-F414 HydrophobicContact CD2-CZ 3.91Å; F390-F414 HydrophobicContact CG-CZ 4.42Å; V393-F414 HydrophobicContact CG1-CB 4.33Å; V393-F414 HydrophobicContact CG2-CD1 3.61Å; V393-F414 HydrophobicContact CG2-CE1 3.69Å; V393-F414 HydrophobicContact CG2-CG 4.14Å; V393-F414 HydrophobicContact CG2-CZ 4.28Å
415G80.4Confident86.1Confident19 Ų1964.3 Ų64.320%0.19637%0.368CS..SBendtrans97.81.3172.500000117.5W153 E389W153-G415 WeakPolarHBondContact CH2-O 3.29Å; E389-G415 PolarHBondContact OE2-N 2.68Å
416V74.4Confident85.3Confident64 Ų6465.5 Ų65.539%0.38837%0.372SS..SBendtrans-115-30.7176.3-177.90000113.1W153 L163 S418W153-V416 HydrophobicContact CH2-CG2 3.91Å; W153-V416 HydrophobicContact CZ2-CG2 3.69Å; L163-V416 HydrophobicContact CB-CG2 4.28Å; L163-V416 HydrophobicContact CD1-CG2 3.54Å; L163-V416 HydrophobicContact CG-CG2 3.47Å; L163-V416 VanDerWaalsContact CG-CG2 3.47Å; V416-S418 PolarHBondContact O-N 3.01Å
417M54.9Low84.2Confident185 Ų18565.7 Ų65.791%0.91137%0.366SS*.  trans-95.584-178.9-73.6-167.6-10300110.7
418S40.6Very low83Confident167 Ų16769.1 Ų69.1100%1.16839%0.386SS*.  trans-135.90162.371.40000111V416V416-S418 PolarHBondContact O-N 3.01Å

Retrieved 418 of 418 residues in 1124.7 ms (Link to these results)

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