A0A087X3A2_POEFO Loading...

X-ray repair cross-complementing protein 5

Single-stranded DNA-dependent ATP-dependent helicase.

AlphaFold DB , UniProt , Accession A0A087X3A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 722 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
1M33.2Very low71.6Confident227 Ų22748.5 Ų48.5100%1.11831%0.305SS*.  01330-71.6-151-105.400107.8G3M1-G3 PolarHBondContact O-N 2.87Å
2A32.1Very low73.4Confident103 Ų10344.5 Ų44.585%0.85128%0.279SS*.PPolyproline II helixtrans-57.8134.2178.600000108.9S4A2-S4 PolarHBondContact O-N 3.3Å
3G49.2Very low74.8Confident52 Ų5241.2 Ų41.254%0.53626%0.258SS..PPolyproline II helixtrans-57.5136.6172.700000109.1M1 K5M1-G3 PolarHBondContact O-N 2.87Å; G3-K5 PolarHBondContact O-N 2.91Å; G3-K5 VanDerWaalsContact O-N 3.14Å
4S62.7Low75.9Confident53 Ų5338.3 Ų38.337%0.37124%0.24SC..PPolyproline II helixtrans-53.6118.4172.252.40000108.5A2 D126A2-S4 PolarHBondContact O-N 3.3Å; S4-D126 WeakPolarHBondContact CA-OD2 3.48Å; S4-D126 WeakPolarHBondContact CB-OD2 3.4Å
5K75.7Confident76.6Confident76 Ų7635.7 Ų35.733%0.3322%0.224SC..PPolyproline II helixtrans-84.8132.5173.9-73.7-173.2166.5-159.70108.4G3 K49 E51 C125 D126G3-K5 PolarHBondContact O-N 2.91Å; G3-K5 VanDerWaalsContact O-N 3.14Å; K5-K49 HydrophobicContact CG-CB 4.47Å; K5-E51 IonicContact NZ-OE1 3.72Å; K5-E51 PolarHBondContact NZ-OE1 3.34Å; K5-C125 CarbonylContact O-C 3.55Å; K5-C125 WeakPolarHBondContact O-CA 3.39Å; K5-D126 PolarHBondContact O-N 2.93Å
6S82.9Confident77.1Confident15 Ų1540.1 Ų40.111%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-105.8145.5172.3-38.60000109.3D50 E51 R127S6-D50 WeakPolarHBondContact CB-OD1 3.35Å; S6-D50 PolarHBondContact N-OD1 3.47Å; S6-D50 WeakPolarHBondContact O-CA 3.45Å; S6-D50 PolarHBondContact OG-OD1 3.15Å; S6-E51 PolarHBondContact O-N 3.29Å; S6-R127 WeakPolarHBondContact CA-O 3.45Å
7A87.9Confident77.5Confident0 Ų038.2 Ų38.20%023%0.229CC..EExtended strand (participates in β ladder)trans-110.712917000000108.9E51 L81 L116 T120 C125 R127 F128 N129A7-E51 WeakPolarHBondContact CA-O 3.43Å; A7-L81 HydrophobicContact CB-CD1 4.11Å; A7-L81 HydrophobicContact CB-CD2 4.01Å; A7-L116 HydrophobicContact CB-CD2 3.85Å; A7-T120 HydrophobicContact CB-CG2 3.96Å; A7-C125 HydrophobicContact CB-CB 4.43Å; A7-R127 PolarHBondContact N-O 3.27Å; A7-F128 HydrophobicContact CB-CD1 3.98Å; A7-F128 HydrophobicContact CB-CE1 4.28Å; A7-F128 WeakPolarHBondContact O-CA 3.43Å; A7-N129 PolarHBondContact O-N 3.11Å; A7-N129 VanDerWaalsContact O-N 3.07Å
8L88.6Confident77.9Confident8 Ų836.1 Ų36.14%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-125.1136.6-176.3-171.179.8000110.6L10 F39 E51 L52 A53 N129 V131 I234L8-L10 HydrophobicContact CD2-CD2 3.64Å; L8-L10 HydrophobicContact CD2-CG 4.16Å; L8-L10 HydrophobicContact CG-CD2 4.29Å; L8-F39 HydrophobicContact CD2-CD1 4.16Å; L8-F39 HydrophobicContact CD2-CE1 3.12Å; L8-F39 HydrophobicContact CD2-CE2 4.3Å; L8-F39 HydrophobicContact CD2-CZ 3.21Å; L8-E51 PolarHBondContact N-O 2.82Å; L8-L52 HydrophobicContact CB-CD1 4.4Å; L8-L52 HydrophobicContact CD2-CD1 3.56Å; L8-L52 HydrophobicContact CG-CD1 4.43Å; L8-L52 CarbonylContact O-C 3.48Å; L8-L52 WeakPolarHBondContact O-CA 3.5Å; L8-A53 PolarHBondContact O-N 3.22Å; L8-N129 WeakPolarHBondContact CA-O 3.4Å; L8-N129 HydrophobicContact CD1-CB 3.54Å; L8-N129 VanDerWaalsContact CD1-ND2 3.28Å; L8-N129 WeakPolarHBondContact CD1-ND2 3.28Å; L8-N129 WeakPolarHBondContact CD1-O 3.33Å; L8-V131 HydrophobicContact CD1-CG2 3.89Å; L8-I234 HydrophobicContact CD1-CD1 4.47Å
9V91.7Very high78.2Confident0 Ų036.4 Ų36.40%022%0.22CC..EExtended strand (participates in β ladder)trans-111.8123.2164.5-177.40000109A53 V55 L115 L116 N129 I130 V131V9-A53 HydrophobicContact CG2-CB 4.21Å; V9-V55 HydrophobicContact CG1-CB 4.28Å; V9-V55 HydrophobicContact CG1-CG2 3.65Å; V9-L115 HydrophobicContact CG2-CD2 4.43Å; V9-L116 HydrophobicContact CG2-CD1 3.94Å; V9-L116 HydrophobicContact CG2-CD2 3.69Å; V9-L116 HydrophobicContact CG2-CG 3.48Å; V9-L116 VanDerWaalsContact CG2-CG 3.48Å; V9-N129 PolarHBondContact N-O 2.81Å; V9-N129 VanDerWaalsContact N-O 3.09Å; V9-I130 HydrophobicContact CB-CG1 4.38Å; V9-V131 PolarHBondContact O-N 3.36Å
10L91.8Very high78.4Confident0 Ų039.3 Ų39.30%023%0.234CC..EExtended strand (participates in β ladder)trans-90.7119.1166.1-61.1-177.2000107.9L8 I36 F39 V40 L52 A53 L54 V55 V131L8-L10 HydrophobicContact CD2-CD2 3.64Å; L8-L10 HydrophobicContact CD2-CG 4.16Å; L8-L10 HydrophobicContact CG-CD2 4.29Å; L10-I36 HydrophobicContact CD1-CG1 4.38Å; L10-I36 HydrophobicContact CD1-CG2 3.81Å; L10-F39 HydrophobicContact CD1-CD1 4.08Å; L10-F39 HydrophobicContact CD2-CD1 4.22Å; L10-F39 HydrophobicContact CD2-CE1 4.37Å; L10-V40 HydrophobicContact CD1-CG2 4.15Å; L10-L52 HydrophobicContact CD1-CD1 3.93Å; L10-L52 HydrophobicContact CD1-CD2 4.08Å; L10-L52 HydrophobicContact CD1-CG 4.37Å; L10-L52 HydrophobicContact CG-CD1 4.02Å; L10-L52 HydrophobicContact CG-CG 4.41Å; L10-A53 PolarHBondContact N-O 3.43Å; L10-L54 HydrophobicContact CB-CD1 3.84Å; L10-L54 WeakPolarHBondContact O-CA 3.16Å; L10-V55 PolarHBondContact O-N 3.07Å; L10-V131 HydrophobicContact CD2-CB 3.79Å; L10-V131 HydrophobicContact CD2-CG1 3.9Å; L10-V131 HydrophobicContact CD2-CG2 4.25Å
11C92.4Very high78.2Confident0 Ų040.4 Ų40.40%024%0.244CC..EExtended strand (participates in β ladder)trans-112.7109.3178.2-168.90000108.5V55 F57 V131 L132 L133C11-V55 CarbonylContact C-O 3.6Å; C11-V55 VanDerWaalsContact CA-O 3.31Å; C11-V55 WeakPolarHBondContact CA-O 3.41Å; C11-F57 WeakPolarHBondContact SG-CD1 3.3Å; C11-V131 PolarHBondContact N-O 3.27Å; C11-L132 HydrophobicContact CB-CD1 3.66Å; C11-L132 WeakPolarHBondContact O-CA 2.99Å; C11-L132 VanDerWaalsContact SG-CD1 3.5Å; C11-L133 PolarHBondContact O-N 3.11Å
12M92.9Very high80.2Confident0 Ų031.8 Ų31.80%021%0.209CC..EExtended strand (participates in β ladder)trans-113.8131.3-174.2-175.6-176.9176.200111.3V14 F29 A32 K33 I36 V55 L56 F57 I96M12-V14 HydrophobicContact CG-CG1 4.46Å; M12-F29 HydrophobicContact CE-CD2 3.58Å; M12-F29 HydrophobicContact CE-CE2 3.46Å; M12-F29 VanDerWaalsContact CE-CE2 3.46Å; M12-F29 HydrophobicContact CE-CG 4.24Å; M12-F29 HydrophobicContact CE-CZ 4.01Å; M12-A32 HydrophobicContact CE-CB 4.01Å; M12-K33 HydrophobicContact CE-CB 4.16Å; M12-I36 HydrophobicContact CB-CD1 3.75Å; M12-I36 HydrophobicContact CG-CD1 3.8Å; M12-I36 HydrophobicContact SD-CD1 3.45Å; M12-I36 WeakPolarHBondContact SD-CD1 3.14Å; M12-V55 PolarHBondContact N-O 3.17Å; M12-L56 HydrophobicContact CB-CD2 3.91Å; M12-L56 WeakPolarHBondContact O-CA 3.31Å; M12-F57 VanDerWaalsContact C-CE1 3.4Å; M12-F57 VanDerWaalsContact O-CD1 3.29Å; M12-F57 WeakPolarHBondContact O-CD1 3.5Å; M12-F57 PolarHBondContact O-N 2.94Å; M12-I96 HydrophobicContact SD-CG2 4.39Å
13D92Very high81.9Confident1 Ų133.6 Ų33.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-75.8121.3170.2-163.6-21.4000110.2G15 M18 F57 L133 T134D13-G15 PolarHBondContact OD1-N 3.02Å; D13-M18 HydrophobicContact CB-CE 4.16Å; D13-M18 HydrophobicContact CB-CG 3.74Å; D13-M18 HydrophobicContact CB-SD 4.07Å; D13-F57 HydrophobicContact CB-CD2 4.42Å; D13-F57 HydrophobicContact CB-CE1 3.91Å; D13-F57 HydrophobicContact CB-CE2 3.66Å; D13-F57 HydrophobicContact CB-CZ 3.4Å; D13-F57 VanDerWaalsContact CG-CE2 3.47Å; D13-F57 VanDerWaalsContact N-CE1 3.3Å; D13-L133 VanDerWaalsContact CB-O 3.26Å; D13-L133 WeakPolarHBondContact CB-O 3.47Å; D13-L133 PolarHBondContact N-O 3.04Å; D13-T134 PolarHBondContact OD2-OG1 2.59Å
14V90Very high82.9Confident1 Ų135.3 Ų35.31%0.00623%0.23CC..  trans-113.312.1175.4-54.70000112M12 F29 L56 F57 T59 I96 P98 E99M12-V14 HydrophobicContact CG-CG1 4.46Å; V14-F29 HydrophobicContact CB-CE2 4.19Å; V14-F29 HydrophobicContact CG1-CE2 3.97Å; V14-L56 HydrophobicContact CG1-CB 4.22Å; V14-L56 HydrophobicContact CG1-CD1 4.44Å; V14-L56 HydrophobicContact CG1-CD2 3.95Å; V14-L56 HydrophobicContact CG1-CG 4.42Å; V14-L56 HydrophobicContact CG2-CB 4.39Å; V14-F57 WeakPolarHBondContact CG2-O 3.4Å; V14-F57 PolarHBondContact N-O 3.42Å; V14-T59 HydrophobicContact CG2-CG2 3.5Å; V14-I96 HydrophobicContact CG1-CG2 4.07Å; V14-P98 CarbonylContact O-C 3.52Å; V14-P98 WeakPolarHBondContact O-CA 3.33Å; V14-E99 PolarHBondContact O-N 3.24Å
15G86.8Confident83.4Confident0 Ų036.7 Ų36.70%023%0.231CC..SBendtrans-68.9165.6-177.200000114.1D13 S17 M18 E99 Q101D13-G15 PolarHBondContact OD1-N 3.02Å; G15-S17 PolarHBondContact O-N 2.98Å; G15-S17 VanDerWaalsContact O-N 3.14Å; G15-M18 WeakPolarHBondContact O-CB 3.42Å; G15-M18 PolarHBondContact O-N 3.13Å; G15-M18 VanDerWaalsContact O-N 3.12Å; G15-E99 CarbonylContact C-O 3.57Å; G15-Q101 WeakPolarHBondContact CA-O 3.42Å
16F84.3Confident83.6Confident105 Ų10537.7 Ų37.746%0.46124%0.236SC..G310 helixtrans-56.8-35.1-175.9178-101.9000112.9M18 S19 E99 Q101F16-M18 VanDerWaalsContact C-N 3.3Å; F16-M18 PolarHBondContact O-N 2.91Å; F16-S19 WeakPolarHBondContact O-CB 3.48Å; F16-S19 PolarHBondContact O-N 2.76Å; F16-S19 VanDerWaalsContact O-N 3.13Å; F16-S19 PolarHBondContact O-OG 2.85Å; F16-E99 WeakPolarHBondContact CA-O 3.42Å; F16-E99 PolarHBondContact N-O 3.45Å; F16-Q101 PolarHBondContact N-O 3.41Å
17S83.7Confident83.7Confident9 Ų939 Ų396%0.06324%0.244CC..G310 helixtrans-59.6-37.1179.944.90000113.6G15 S19 N20 Q102 D135 S137G15-S17 PolarHBondContact O-N 2.98Å; G15-S17 VanDerWaalsContact O-N 3.14Å; S17-S19 PolarHBondContact O-N 2.87Å; S17-S19 VanDerWaalsContact O-N 3.13Å; S17-N20 WeakPolarHBondContact O-CB 3.29Å; S17-N20 PolarHBondContact O-N 3.43Å; S17-N20 VanDerWaalsContact O-N 3.07Å; S17-N20 PolarHBondContact O-ND2 3.33Å; S17-Q102 PolarHBondContact OG-NE2 3.33Å; S17-D135 VanDerWaalsContact CB-OD2 3.22Å; S17-D135 WeakPolarHBondContact CB-OD2 3.37Å; S17-D135 PolarHBondContact OG-OD2 3.07Å; S17-S137 WeakPolarHBondContact CB-OG 3.16Å; S17-S137 PolarHBondContact OG-OG 3.08Å
18M83.7Confident83.6Confident0 Ų039.7 Ų39.70%025%0.249CC..G310 helixtrans-66.4-15.4178.9-70.8-75.5-73.800113.4D13 G15 F16 P28 F29 A32 D135 F221D13-M18 HydrophobicContact CB-CE 4.16Å; D13-M18 HydrophobicContact CB-CG 3.74Å; D13-M18 HydrophobicContact CB-SD 4.07Å; G15-M18 WeakPolarHBondContact O-CB 3.42Å; G15-M18 PolarHBondContact O-N 3.13Å; G15-M18 VanDerWaalsContact O-N 3.12Å; F16-M18 VanDerWaalsContact C-N 3.3Å; F16-M18 PolarHBondContact O-N 2.91Å; M18-P28 HydrophobicContact CE-CB 4.12Å; M18-P28 WeakPolarHBondContact O-CD 3.34Å; M18-P28 HydrophobicContact SD-CB 3.94Å; M18-F29 HydrophobicContact CB-CB 3.99Å; M18-F29 VanDerWaalsContact O-CB 3.28Å; M18-F29 WeakPolarHBondContact O-CB 3.45Å; M18-F29 PolarHBondContact O-N 2.9Å; M18-A32 HydrophobicContact CE-CB 4Å; M18-D135 PolarHBondContact N-OD2 3.13Å; M18-D135 HydrophobicContact SD-CB 3.55Å; M18-D135 VanDerWaalsContact SD-CB 3.55Å; M18-D135 PolarHBondContact SD-N 3.13Å; M18-F221 HydrophobicContact CE-CZ 4.25Å
19S84.3Confident83.7Confident42 Ų4240.1 Ų40.129%0.29425%0.25SS..G310 helixtrans-85.7-11.4176.8760000113.7F16 S17F16-S19 WeakPolarHBondContact O-CB 3.48Å; F16-S19 PolarHBondContact O-N 2.76Å; F16-S19 VanDerWaalsContact O-N 3.13Å; F16-S19 PolarHBondContact O-OG 2.85Å; S17-S19 PolarHBondContact O-N 2.87Å; S17-S19 VanDerWaalsContact O-N 3.13Å
20N81.6Confident83.5Confident93 Ų9341.5 Ų41.550%0.49726%0.262SS..  trans-79.5126.6-178.6-66.1-40.9000110.8S17 P28S17-N20 WeakPolarHBondContact O-CB 3.29Å; S17-N20 PolarHBondContact O-N 3.43Å; S17-N20 VanDerWaalsContact O-N 3.07Å; S17-N20 PolarHBondContact O-ND2 3.33Å; N20-P28 VanDerWaalsContact O-CD 3.27Å; N20-P28 WeakPolarHBondContact O-CD 3.49Å
21S76.1Confident83.2Confident64 Ų6443.9 Ų43.945%0.44827%0.273SS..  trans-139.3153.9173.881.70000112.6E25S21-E25 WeakPolarHBondContact CB-O 3.47Å; S21-E25 PolarHBondContact OG-O 3.42Å
22A73.8Confident83Confident46 Ų4643.9 Ų43.938%0.3827%0.273SS..  trans-70.6152.6170.400000110.5G24 E25A22-G24 PolarHBondContact O-N 3.44Å; A22-G24 VanDerWaalsContact O-N 3.1Å; A22-E25 HydrophobicContact CB-CG 4.49Å; A22-E25 PolarHBondContact O-N 2.71Å
23P68Low82.8Confident140 Ų14045.2 Ų45.291%0.90928%0.279SS*.THydrogen-bonded Turntrans-57.7117.8176.6-22.332.6000111.5
24G69.4Low82.6Confident89 Ų8948.8 Ų48.892%0.91829%0.294SS*.THydrogen-bonded Turntrans99.1-9.5-17900000114.9A22A22-G24 PolarHBondContact O-N 3.44Å; A22-G24 VanDerWaalsContact O-N 3.1Å
25E74.4Confident82.4Confident82 Ų8249 Ų4938%0.38330%0.296SS..SBendtrans-101.2139.7174.8-69.4178.5178.500111.2S21 A22 P185S21-E25 WeakPolarHBondContact CB-O 3.47Å; S21-E25 PolarHBondContact OG-O 3.42Å; A22-E25 HydrophobicContact CB-CG 4.49Å; A22-E25 PolarHBondContact O-N 2.71Å; E25-P185 WeakPolarHBondContact OE1-CB 3.28Å
26E79.5Confident82.4Confident96 Ų9649 Ų4945%0.44930%0.296SS..PPolyproline II helixtrans-67.8136.6172.3-66.2-170158.100110.1Q31 K34E26-Q31 HydrophobicContact CB-CG 4.06Å; E26-Q31 PolarHBondContact O-NE2 2.98Å; E26-Q31 VanDerWaalsContact O-NE2 3.09Å; E26-K34 IonicContact OE1-NZ 2.7Å; E26-K34 PolarHBondContact OE1-NZ 3.35Å; E26-K34 IonicContact OE2-NZ 3.76Å; E26-K34 PolarHBondContact OE2-NZ 2.81Å
27P85.7Confident82.6Confident42 Ų4245.1 Ų45.127%0.27328%0.279SS..PPolyproline II helixtrans-63.2145.7-178.924.6-32000112F29 A30 Q31P27-F29 PolarHBondContact O-N 3.25Å; P27-F29 VanDerWaalsContact O-N 3.11Å; P27-A30 HydrophobicContact CG-CB 3.78Å; P27-A30 PolarHBondContact O-N 2.82Å; P27-Q31 PolarHBondContact O-N 3.11Å; P27-Q31 VanDerWaalsContact O-N 3.1Å
28P86.1Confident82.6Confident16 Ų1645.7 Ų45.710%0.10428%0.281CS..Hα-helixtrans-49.9-38.7178.5-28.934.7000113M18 N20 A30 Q31 A32 P164 F221M18-P28 HydrophobicContact CE-CB 4.12Å; M18-P28 WeakPolarHBondContact O-CD 3.34Å; M18-P28 HydrophobicContact SD-CB 3.94Å; N20-P28 VanDerWaalsContact O-CD 3.27Å; N20-P28 WeakPolarHBondContact O-CD 3.49Å; P28-A30 PolarHBondContact O-N 3.45Å; P28-Q31 PolarHBondContact O-N 3.3Å; P28-A32 VanDerWaalsContact O-CB 3.29Å; P28-A32 WeakPolarHBondContact O-CB 3.35Å; P28-A32 PolarHBondContact O-N 2.93Å; P28-P164 HydrophobicContact CB-CB 4.38Å; P28-P164 HydrophobicContact CG-CB 4.23Å; P28-F221 HydrophobicContact CB-CE2 4.12Å
29F89.2Confident82.6Confident16 Ų1645.8 Ų45.87%0.0728%0.281CS..Hα-helixtrans-57.5-46.9173.9-179.5-92000113.2M12 V14 M18 P27 Q31 A32 K33 I96 H97 P98M12-F29 HydrophobicContact CE-CD2 3.58Å; M12-F29 HydrophobicContact CE-CE2 3.46Å; M12-F29 VanDerWaalsContact CE-CE2 3.46Å; M12-F29 HydrophobicContact CE-CG 4.24Å; M12-F29 HydrophobicContact CE-CZ 4.01Å; V14-F29 HydrophobicContact CB-CE2 4.19Å; V14-F29 HydrophobicContact CG1-CE2 3.97Å; M18-F29 HydrophobicContact CB-CB 3.99Å; M18-F29 VanDerWaalsContact O-CB 3.28Å; M18-F29 WeakPolarHBondContact O-CB 3.45Å; M18-F29 PolarHBondContact O-N 2.9Å; P27-F29 PolarHBondContact O-N 3.25Å; P27-F29 VanDerWaalsContact O-N 3.11Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 2.86Å; F29-A32 PolarHBondContact O-N 3.48Å; F29-K33 HydrophobicContact CE1-CD 4.23Å; F29-K33 VanDerWaalsContact O-CB 3.28Å; F29-K33 WeakPolarHBondContact O-CB 3.47Å; F29-K33 PolarHBondContact O-N 2.84Å; F29-I96 HydrophobicContact CE2-CG2 4.26Å; F29-I96 HydrophobicContact CZ-CG2 3.98Å; F29-H97 VanDerWaalsContact CZ-C 3.48Å; F29-P98 HydrophobicContact CD2-CB 4.28Å; F29-P98 HydrophobicContact CE2-CB 4.42Å; F29-P98 HydrophobicContact CG-CB 4.4Å
30A87.4Confident82.7Confident30 Ų3043.8 Ų43.825%0.24827%0.267CS..Hα-helixtrans-67.7-36.9-179.800000111.3P27 P28 K34P27-A30 HydrophobicContact CG-CB 3.78Å; P27-A30 PolarHBondContact O-N 2.82Å; P28-A30 PolarHBondContact O-N 3.45Å; A30-K34 WeakPolarHBondContact O-CG 3.24Å; A30-K34 PolarHBondContact O-N 3.48Å
31Q86.4Confident82.9Confident49 Ų4940.1 Ų40.123%0.22925%0.247CC..Hα-helixtrans-65.4-48.9174.5-60.4-177.5300111E26 P27 P28 F29 K33 K34 V35 F221E26-Q31 HydrophobicContact CB-CG 4.06Å; E26-Q31 PolarHBondContact O-NE2 2.98Å; E26-Q31 VanDerWaalsContact O-NE2 3.09Å; P27-Q31 PolarHBondContact O-N 3.11Å; P27-Q31 VanDerWaalsContact O-N 3.1Å; P28-Q31 PolarHBondContact O-N 3.3Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 2.86Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 3.04Å; Q31-K34 WeakPolarHBondContact O-CB 3.46Å; Q31-K34 PolarHBondContact O-N 3.26Å; Q31-V35 VanDerWaalsContact O-CG2 3.26Å; Q31-V35 WeakPolarHBondContact O-CG2 3.27Å; Q31-V35 PolarHBondContact O-N 3.4Å; Q31-F221 HydrophobicContact CB-CB 3.83Å; Q31-F221 HydrophobicContact CB-CD2 4.25Å; Q31-F221 HydrophobicContact CB-CG 4.09Å
32A88.1Confident83Confident0 Ų039.7 Ų39.70%024%0.235CC..Hα-helixtrans-58.1-44.3176.200000112M12 M18 P28 F29 K34 V35 I36 L133 F221M12-A32 HydrophobicContact CE-CB 4.01Å; M18-A32 HydrophobicContact CE-CB 4Å; P28-A32 VanDerWaalsContact O-CB 3.29Å; P28-A32 WeakPolarHBondContact O-CB 3.35Å; P28-A32 PolarHBondContact O-N 2.93Å; F29-A32 PolarHBondContact O-N 3.48Å; A32-K34 PolarHBondContact O-N 2.8Å; A32-V35 PolarHBondContact O-N 3.25Å; A32-I36 WeakPolarHBondContact O-CG1 3.38Å; A32-I36 PolarHBondContact O-N 3.26Å; A32-L133 HydrophobicContact CB-CB 4.14Å; A32-L133 HydrophobicContact CB-CD2 3.77Å; A32-F221 HydrophobicContact CB-CD1 4.3Å; A32-F221 HydrophobicContact CB-CE1 3.75Å; A32-F221 HydrophobicContact CB-CZ 3.96Å
33K89.1Confident83.4Confident29 Ų2938 Ų3813%0.12622%0.22CC..Hα-helixtrans-58.5-48174.6179170.9171.6162.70111.7M12 F29 Q31 V35 I36 Q37 I92 E93M12-K33 HydrophobicContact CE-CB 4.16Å; F29-K33 HydrophobicContact CE1-CD 4.23Å; F29-K33 VanDerWaalsContact O-CB 3.28Å; F29-K33 WeakPolarHBondContact O-CB 3.47Å; F29-K33 PolarHBondContact O-N 2.84Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 3.04Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 2.63Å; K33-I36 PolarHBondContact O-N 2.87Å; K33-Q37 HydrophobicContact CG-CG 4.45Å; K33-Q37 WeakPolarHBondContact O-CB 3.38Å; K33-Q37 VanDerWaalsContact O-CG 3.26Å; K33-Q37 WeakPolarHBondContact O-CG 3.3Å; K33-Q37 PolarHBondContact O-N 2.82Å; K33-I92 WeakPolarHBondContact CE-O 3.44Å; K33-I92 HydrophobicContact CG-CG2 4.13Å; K33-I92 PolarHBondContact NZ-O 3.47Å; K33-E93 VanDerWaalsContact CE-OE2 3.29Å; K33-E93 WeakPolarHBondContact CE-OE2 2.83Å; K33-E93 PolarHBondContact NZ-O 3.48Å; K33-E93 IonicContact NZ-OE2 3.82Å
34K86.7Confident84.1Confident75 Ų7532.1 Ų32.133%0.32618%0.181SC..Hα-helixtrans-59.7-41.3176.2-76.1176.5-177.4179.90112.2E26 A30 Q31 A32 Q37 K38E26-K34 IonicContact OE1-NZ 2.7Å; E26-K34 PolarHBondContact OE1-NZ 3.35Å; E26-K34 IonicContact OE2-NZ 3.76Å; E26-K34 PolarHBondContact OE2-NZ 2.81Å; A30-K34 WeakPolarHBondContact O-CG 3.24Å; A30-K34 PolarHBondContact O-N 3.48Å; Q31-K34 WeakPolarHBondContact O-CB 3.46Å; Q31-K34 PolarHBondContact O-N 3.26Å; A32-K34 PolarHBondContact O-N 2.8Å; K34-Q37 PolarHBondContact O-N 3.39Å; K34-K38 WeakPolarHBondContact O-CB 3.36Å; K34-K38 WeakPolarHBondContact O-CG 2.9Å; K34-K38 PolarHBondContact O-N 3.02Å
35V85.8Confident84.7Confident5 Ų529.3 Ų29.33%0.0314%0.143CC..Hα-helixtrans-62.6-49.1178.61760000110.5Q31 A32 K33 Q37 K38 F39 L133 F221 A224 V225 M230Q31-V35 VanDerWaalsContact O-CG2 3.26Å; Q31-V35 WeakPolarHBondContact O-CG2 3.27Å; Q31-V35 PolarHBondContact O-N 3.4Å; A32-V35 PolarHBondContact O-N 3.25Å; K33-V35 VanDerWaalsContact C-N 3.31Å; K33-V35 PolarHBondContact O-N 2.63Å; V35-Q37 PolarHBondContact O-N 3.08Å; V35-K38 PolarHBondContact O-N 2.73Å; V35-F39 WeakPolarHBondContact O-CB 3.44Å; V35-F39 PolarHBondContact O-N 2.77Å; V35-L133 HydrophobicContact CB-CD2 4.31Å; V35-L133 HydrophobicContact CG1-CD2 4.33Å; V35-F221 HydrophobicContact CG2-CD1 4.42Å; V35-A224 HydrophobicContact CG1-CB 4.21Å; V35-A224 HydrophobicContact CG2-CB 4.22Å; V35-V225 HydrophobicContact CG2-CG2 3.43Å; V35-V225 VanDerWaalsContact CG2-CG2 3.43Å; V35-M230 HydrophobicContact CB-CE 4.39Å; V35-M230 HydrophobicContact CG1-CE 3.1Å; V35-M230 HydrophobicContact CG1-CG 4.49Å; V35-M230 HydrophobicContact CG1-SD 3.49Å; V35-M230 WeakPolarHBondContact CG1-SD 3.36Å
36I87.8Confident84.7Confident1 Ų126.8 Ų26.81%0.00514%0.137CC..Hα-helixtrans-61.7-43.8176.8-70172.7000111.2L10 M12 A32 K33 K38 F39 V40 I92 L133L10-I36 HydrophobicContact CD1-CG1 4.38Å; L10-I36 HydrophobicContact CD1-CG2 3.81Å; M12-I36 HydrophobicContact CB-CD1 3.75Å; M12-I36 HydrophobicContact CG-CD1 3.8Å; M12-I36 HydrophobicContact SD-CD1 3.45Å; M12-I36 WeakPolarHBondContact SD-CD1 3.14Å; A32-I36 WeakPolarHBondContact O-CG1 3.38Å; A32-I36 PolarHBondContact O-N 3.26Å; K33-I36 PolarHBondContact O-N 2.87Å; I36-K38 PolarHBondContact O-N 2.95Å; I36-F39 WeakPolarHBondContact O-CB 3.4Å; I36-F39 PolarHBondContact O-N 3.44Å; I36-F39 VanDerWaalsContact O-N 3.16Å; I36-V40 HydrophobicContact CG2-CG2 4.23Å; I36-V40 WeakPolarHBondContact O-CG2 3.28Å; I36-V40 PolarHBondContact O-N 2.64Å; I36-I92 HydrophobicContact CG2-CD1 3.79Å; I36-I92 HydrophobicContact CG2-CG1 4.46Å; I36-I92 HydrophobicContact CG2-CG2 4.42Å; I36-L133 HydrophobicContact CD1-CD1 3.9Å; I36-L133 HydrophobicContact CD1-CD2 4.04Å; I36-L133 HydrophobicContact CG1-CD1 3.97Å; I36-L133 HydrophobicContact CG1-CD2 3.78Å
37Q87.5Confident84.6Confident24 Ų2427.5 Ų27.511%0.11214%0.14CC..Hα-helixtrans-58.9-50.2177.6-77.2175.9-22.500111.4K33 K34 V35 F39 V40 Q41 I92 E93K33-Q37 HydrophobicContact CG-CG 4.45Å; K33-Q37 WeakPolarHBondContact O-CB 3.38Å; K33-Q37 VanDerWaalsContact O-CG 3.26Å; K33-Q37 WeakPolarHBondContact O-CG 3.3Å; K33-Q37 PolarHBondContact O-N 2.82Å; K34-Q37 PolarHBondContact O-N 3.39Å; V35-Q37 PolarHBondContact O-N 3.08Å; Q37-F39 PolarHBondContact O-N 2.79Å; Q37-V40 PolarHBondContact O-N 3.04Å; Q37-Q41 WeakPolarHBondContact O-CB 3.47Å; Q37-Q41 PolarHBondContact O-N 2.97Å; Q37-I92 HydrophobicContact CG-CB 4.47Å; Q37-I92 HydrophobicContact CG-CG2 3.59Å; Q37-E93 PolarHBondContact NE2-OE2 3.44Å
38K83.3Confident84.1Confident21 Ų2126.3 Ų26.39%0.09113%0.132CC..Hα-helixtrans-59.8-37.7176.2-73.1-175.9-169.8-54.40111.9K34 V35 I36 R42 V225 E499 W501K34-K38 WeakPolarHBondContact O-CB 3.36Å; K34-K38 WeakPolarHBondContact O-CG 2.9Å; K34-K38 PolarHBondContact O-N 3.02Å; V35-K38 PolarHBondContact O-N 2.73Å; I36-K38 PolarHBondContact O-N 2.95Å; K38-R42 PolarHBondContact O-N 3.47Å; K38-R42 VanDerWaalsContact O-N 3.11Å; K38-V225 HydrophobicContact CD-CG1 4.12Å; K38-E499 IonicContact NZ-OE1 2.76Å; K38-E499 PolarHBondContact NZ-OE1 3.15Å; K38-E499 IonicContact NZ-OE2 3.34Å; K38-E499 PolarHBondContact NZ-OE2 3.28Å; K38-W501 HydrophobicContact CD-CZ2 4.18Å
39F84Confident83.9Confident2 Ų232.2 Ų32.21%0.00916%0.156CC..Hα-helixtrans-60.8-58.7176-175-93.6000112L8 L10 V35 I36 Q37 Q41 R42 Q43 L52 M230 F231 I234L8-F39 HydrophobicContact CD2-CD1 4.16Å; L8-F39 HydrophobicContact CD2-CE1 3.12Å; L8-F39 HydrophobicContact CD2-CE2 4.3Å; L8-F39 HydrophobicContact CD2-CZ 3.21Å; L10-F39 HydrophobicContact CD1-CD1 4.08Å; L10-F39 HydrophobicContact CD2-CD1 4.22Å; L10-F39 HydrophobicContact CD2-CE1 4.37Å; V35-F39 WeakPolarHBondContact O-CB 3.44Å; V35-F39 PolarHBondContact O-N 2.77Å; I36-F39 WeakPolarHBondContact O-CB 3.4Å; I36-F39 PolarHBondContact O-N 3.44Å; I36-F39 VanDerWaalsContact O-N 3.16Å; Q37-F39 PolarHBondContact O-N 2.79Å; F39-Q41 VanDerWaalsContact C-N 3.32Å; F39-Q41 PolarHBondContact O-N 3.04Å; F39-R42 PolarHBondContact O-N 2.83Å; F39-Q43 HydrophobicContact CD1-CG 4.25Å; F39-Q43 HydrophobicContact CE1-CG 3.75Å; F39-Q43 HydrophobicContact CZ-CG 3.98Å; F39-Q43 VanDerWaalsContact CZ-NE2 3.29Å; F39-Q43 WeakPolarHBondContact O-CG 3.33Å; F39-Q43 PolarHBondContact O-N 3.43Å; F39-Q43 VanDerWaalsContact O-N 3.15Å; F39-L52 HydrophobicContact CD1-CD1 4.06Å; F39-L52 HydrophobicContact CE1-CD1 3.53Å; F39-M230 HydrophobicContact CB-SD 3.86Å; F39-M230 HydrophobicContact CD2-CB 3.5Å; F39-M230 HydrophobicContact CD2-CG 4.25Å; F39-M230 HydrophobicContact CD2-SD 3.81Å; F39-M230 HydrophobicContact CE2-CB 3.83Å; F39-M230 HydrophobicContact CG-SD 3.97Å; F39-F231 HydrophobicContact CB-CZ 4.45Å; F39-F231 HydrophobicContact CD2-CD1 4.05Å; F39-F231 AromaticContact CD2-CE1 3.45Å; F39-F231 HydrophobicContact CD2-CE1 3.45Å; F39-F231 VanDerWaalsContact CD2-CE1 3.45Å; F39-F231 HydrophobicContact CD2-CE2 4.39Å; F39-F231 AromaticContact CD2-CZ 3.69Å; F39-F231 HydrophobicContact CD2-CZ 3.69Å; F39-F231 AromaticContact CE2-CD1 3.83Å; F39-F231 HydrophobicContact CE2-CD1 3.83Å; F39-F231 AromaticContact CE2-CE1 3.62Å; F39-F231 HydrophobicContact CE2-CE1 3.62Å; F39-F231 HydrophobicContact CE2-CZ 4.31Å; F39-F231 HydrophobicContact CG-CE1 4.32Å; F39-F231 HydrophobicContact CG-CZ 4.41Å; F39-I234 HydrophobicContact CE2-CD1 3.66Å; F39-I234 HydrophobicContact CZ-CD1 3.47Å; F39-I234 VanDerWaalsContact CZ-CD1 3.47Å
40V86.4Confident83.6Confident0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-61.5-42.9-179.5177.10000110.5L10 I36 Q37 R42 Q43 V44 L52 P84 L88 L89 I92L10-V40 HydrophobicContact CD1-CG2 4.15Å; I36-V40 HydrophobicContact CG2-CG2 4.23Å; I36-V40 WeakPolarHBondContact O-CG2 3.28Å; I36-V40 PolarHBondContact O-N 2.64Å; Q37-V40 PolarHBondContact O-N 3.04Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.7Å; V40-Q43 WeakPolarHBondContact O-CB 3.36Å; V40-Q43 PolarHBondContact O-N 3.21Å; V40-Q43 VanDerWaalsContact O-N 3.09Å; V40-V44 HydrophobicContact CG1-CG2 4.06Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.42Å; V40-V44 PolarHBondContact O-N 3.46Å; V40-L52 HydrophobicContact CG2-CD2 4.08Å; V40-P84 HydrophobicContact CG1-CB 4.01Å; V40-L88 HydrophobicContact CG1-CD2 3.98Å; V40-L88 HydrophobicContact CG1-CG 4.31Å; V40-L88 HydrophobicContact CG2-CD2 4.26Å; V40-L89 HydrophobicContact CB-CD2 3.75Å; V40-L89 HydrophobicContact CB-CG 4.43Å; V40-L89 HydrophobicContact CG1-CD2 3.62Å; V40-L89 HydrophobicContact CG1-CG 3.74Å; V40-I92 HydrophobicContact CG2-CD1 3.99Å
41Q85.1Confident83.7Confident15 Ų1531.7 Ų31.77%0.0715%0.149CC..Hα-helixtrans-54.4-47.4178.1-177.4-171.332.700111.9Q37 F39 F45 L89 F481 Q482 H485Q37-Q41 WeakPolarHBondContact O-CB 3.47Å; Q37-Q41 PolarHBondContact O-N 2.97Å; F39-Q41 VanDerWaalsContact C-N 3.32Å; F39-Q41 PolarHBondContact O-N 3.04Å; Q41-F45 HydrophobicContact CG-CD2 3.58Å; Q41-F45 HydrophobicContact CG-CE2 3.33Å; Q41-F45 HydrophobicContact CG-CZ 4.49Å; Q41-F45 WeakPolarHBondContact O-CB 3.39Å; Q41-F45 WeakPolarHBondContact O-CD2 3.41Å; Q41-F45 WeakPolarHBondContact O-CG 3.41Å; Q41-F45 PolarHBondContact O-N 3.03Å; Q41-L89 HydrophobicContact CB-CD2 4.28Å; Q41-F481 HydrophobicContact CG-CB 3.96Å; Q41-F481 PolarHBondContact NE2-O 2.82Å; Q41-Q482 VanDerWaalsContact NE2-N 3.17Å; Q41-H485 HydrophobicContact CG-CB 4.31Å; Q41-H485 VanDerWaalsContact NE2-CB 3.26Å
42R79.5Confident83.8Confident56 Ų5629.7 Ų29.721%0.21114%0.14CC..Hα-helixtrans-67.2-40.1177.6-169.8174.1-174.4-178.12111.7K38 F39 V40 A46 F231 E264 F481K38-R42 PolarHBondContact O-N 3.47Å; K38-R42 VanDerWaalsContact O-N 3.11Å; F39-R42 PolarHBondContact O-N 2.83Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.7Å; R42-A46 WeakPolarHBondContact O-CB 3.46Å; R42-A46 PolarHBondContact O-N 3.11Å; R42-F231 HydrophobicContact CB-CE1 3.89Å; R42-F231 HydrophobicContact CB-CZ 3.76Å; R42-F231 HydrophobicContact CG-CE1 4.11Å; R42-F231 HydrophobicContact CG-CZ 4.18Å; R42-E264 IonicContact NH2-OE1 3.63Å; R42-F481 HydrophobicContact CG-CE2 4.15Å
43Q80.9Confident84Confident10 Ų1029.7 Ų29.75%0.04714%0.14CC..Hα-helixtrans-61.3-47177.5-64.9-66.8-10.500111.5F39 V40 E47 T48 P84F39-Q43 HydrophobicContact CD1-CG 4.25Å; F39-Q43 HydrophobicContact CE1-CG 3.75Å; F39-Q43 HydrophobicContact CZ-CG 3.98Å; F39-Q43 VanDerWaalsContact CZ-NE2 3.29Å; F39-Q43 WeakPolarHBondContact O-CG 3.33Å; F39-Q43 PolarHBondContact O-N 3.43Å; F39-Q43 VanDerWaalsContact O-N 3.15Å; V40-Q43 WeakPolarHBondContact O-CB 3.36Å; V40-Q43 PolarHBondContact O-N 3.21Å; V40-Q43 VanDerWaalsContact O-N 3.09Å; Q43-E47 PolarHBondContact O-N 3.4Å; Q43-T48 PolarHBondContact O-N 3.37Å; Q43-T48 PolarHBondContact O-OG1 3.03Å; Q43-T48 PolarHBondContact OE1-OG1 3.04Å; Q43-P84 HydrophobicContact CB-CG 3.83Å
44V83.7Confident84.2Confident16 Ų1628.3 Ų28.310%0.09713%0.134CC..Hα-helixtrans-61.2-52.3177.5174.70000110.8V40 A46 E47 P84 F86 L89V40-V44 HydrophobicContact CG1-CG2 4.06Å; V40-V44 VanDerWaalsContact O-CG2 3.28Å; V40-V44 WeakPolarHBondContact O-CG2 3.42Å; V40-V44 PolarHBondContact O-N 3.46Å; V44-A46 PolarHBondContact O-N 3.5Å; V44-E47 PolarHBondContact O-N 3.01Å; V44-P84 HydrophobicContact CG2-CB 3.89Å; V44-P84 HydrophobicContact CG2-CG 4.33Å; V44-F86 HydrophobicContact CG1-CD1 4.36Å; V44-F86 HydrophobicContact CG1-CD2 4.38Å; V44-F86 HydrophobicContact CG1-CE1 4Å; V44-F86 HydrophobicContact CG1-CE2 4.02Å; V44-F86 HydrophobicContact CG1-CZ 3.81Å; V44-L89 HydrophobicContact CG2-CD1 4.27Å
45F81.3Confident84.5Confident30 Ų3024.8 Ų24.813%0.13212%0.119CC..Hα-helixtrans-73.6-27.6-176-65.8-48.9000113.9Q41 E47 F86 F481 L484 H485Q41-F45 HydrophobicContact CG-CD2 3.58Å; Q41-F45 HydrophobicContact CG-CE2 3.33Å; Q41-F45 HydrophobicContact CG-CZ 4.49Å; Q41-F45 WeakPolarHBondContact O-CB 3.39Å; Q41-F45 WeakPolarHBondContact O-CD2 3.41Å; Q41-F45 WeakPolarHBondContact O-CG 3.41Å; Q41-F45 PolarHBondContact O-N 3.03Å; F45-E47 PolarHBondContact O-N 3.23Å; F45-F86 HydrophobicContact CD1-CE1 4.42Å; F45-F86 HydrophobicContact CD1-CZ 4.3Å; F45-F86 AromaticContact CE1-CE1 3.51Å; F45-F86 HydrophobicContact CE1-CE1 3.51Å; F45-F86 AromaticContact CE1-CZ 3.7Å; F45-F86 HydrophobicContact CE1-CZ 3.7Å; F45-F86 AromaticContact CZ-CE1 3.92Å; F45-F86 HydrophobicContact CZ-CE1 3.92Å; F45-F481 HydrophobicContact CB-CD1 3.54Å; F45-F481 HydrophobicContact CB-CE1 3.43Å; F45-F481 VanDerWaalsContact CB-CE1 3.43Å; F45-F481 HydrophobicContact CB-CG 4.44Å; F45-F481 HydrophobicContact CB-CZ 4.25Å; F45-F481 HydrophobicContact CD2-CB 3.73Å; F45-F481 AromaticContact CD2-CD1 3.35Å; F45-F481 HydrophobicContact CD2-CD1 3.35Å; F45-F481 HydrophobicContact CD2-CE1 4.17Å; F45-F481 AromaticContact CD2-CG 3.71Å; F45-F481 HydrophobicContact CD2-CG 3.71Å; F45-F481 HydrophobicContact CE2-CB 3.98Å; F45-F481 HydrophobicContact CE2-CD1 4.24Å; F45-F481 HydrophobicContact CE2-CG 4.44Å; F45-F481 WeakPolarHBondContact CE2-O 3.49Å; F45-F481 AromaticContact CG-CD1 3.69Å; F45-F481 HydrophobicContact CG-CD1 3.69Å; F45-F481 HydrophobicContact CG-CE1 4.11Å; F45-F481 HydrophobicContact CG-CG 4.46Å; F45-L484 HydrophobicContact CD1-CD1 3.86Å; F45-L484 HydrophobicContact CD2-CD1 4.49Å; F45-L484 HydrophobicContact CE1-CB 3.68Å; F45-L484 HydrophobicContact CE1-CD1 3.78Å; F45-L484 HydrophobicContact CE1-CG 4.36Å; F45-L484 HydrophobicContact CE2-CB 3.83Å; F45-L484 HydrophobicContact CE2-CD1 4.4Å; F45-L484 HydrophobicContact CG-CD1 4.25Å; F45-L484 HydrophobicContact CZ-CB 3.3Å; F45-L484 HydrophobicContact CZ-CD1 4.1Å; F45-L484 HydrophobicContact CZ-CG 4.36Å; F45-H485 HydrophobicContact CE2-CB 4.39Å; F45-H485 HydrophobicContact CZ-CB 4.49Å
46A75.7Confident84.9Confident29 Ų2924.9 Ų24.924%0.2412%0.119CC..Hα-helixtrans-78.8-7.1173.900000113.5R42 V44 T48 K267R42-A46 WeakPolarHBondContact O-CB 3.46Å; R42-A46 PolarHBondContact O-N 3.11Å; V44-A46 PolarHBondContact O-N 3.5Å; A46-T48 VanDerWaalsContact C-N 3.31Å; A46-T48 HydrophobicContact CB-CG2 4.14Å; A46-T48 PolarHBondContact O-N 2.79Å; A46-K267 PolarHBondContact O-NZ 2.98Å
47E76.4Confident85Confident111 Ų11124.9 Ų24.952%0.51912%0.119SC..THydrogen-bonded Turntrans47.553.7-174.2-64.2-177.4152.700111.4Q43 V44 F45 K268Q43-E47 PolarHBondContact O-N 3.4Å; V44-E47 PolarHBondContact O-N 3.01Å; F45-E47 PolarHBondContact O-N 3.23Å; E47-K268 WeakPolarHBondContact OE1-CE 3.4Å; E47-K268 IonicContact OE1-NZ 3.98Å; E47-K268 PolarHBondContact OE1-NZ 3.25Å
48T76.4Confident85Confident18 Ų1823.8 Ų23.811%0.1111%0.114CC..  trans-69.9151.917157.90000109.6Q43 A46 D50Q43-T48 PolarHBondContact O-N 3.37Å; Q43-T48 PolarHBondContact O-OG1 3.03Å; Q43-T48 PolarHBondContact OE1-OG1 3.04Å; A46-T48 VanDerWaalsContact C-N 3.31Å; A46-T48 HydrophobicContact CB-CG2 4.14Å; A46-T48 PolarHBondContact O-N 2.79Å; T48-D50 WeakPolarHBondContact CB-OD2 3.47Å
49K81.4Confident85.3Confident140 Ų14022.9 Ų22.961%0.60911%0.11SC*.  trans-96.818.2175-63-173.7176.6-173.30110.7K5K5-K49 HydrophobicContact CG-CB 4.47Å
50D83.4Confident85.5Confident18 Ų1827.1 Ų27.110%0.09613%0.133CC..  trans-77.5137.4-178.5-60.7-41.6000107.4S6 T48 P84S6-D50 WeakPolarHBondContact CB-OD1 3.35Å; S6-D50 PolarHBondContact N-OD1 3.47Å; S6-D50 WeakPolarHBondContact O-CA 3.45Å; S6-D50 PolarHBondContact OG-OD1 3.15Å; T48-D50 WeakPolarHBondContact CB-OD2 3.47Å; D50-P84 WeakPolarHBondContact O-CD 3.46Å
51E88.3Confident85.5Confident17 Ų1729.6 Ų29.68%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-96.5134.8-179.6-52.7-178.7-177.800108.1K5 S6 A7 L8 L81 K123K5-E51 IonicContact NZ-OE1 3.72Å; K5-E51 PolarHBondContact NZ-OE1 3.34Å; S6-E51 PolarHBondContact O-N 3.29Å; A7-E51 WeakPolarHBondContact CA-O 3.43Å; L8-E51 PolarHBondContact N-O 2.82Å; E51-L81 HydrophobicContact CB-CD1 3.76Å; E51-L81 HydrophobicContact CB-CD2 4.22Å; E51-L81 HydrophobicContact CB-CG 3.57Å; E51-L81 WeakPolarHBondContact O-CD1 3.46Å; E51-K123 VanDerWaalsContact OE2-CD 3.29Å; E51-K123 WeakPolarHBondContact OE2-CD 3.28Å; E51-K123 WeakPolarHBondContact OE2-CE 2.91Å; E51-K123 IonicContact OE2-NZ 3.88Å; E51-K123 PolarHBondContact OE2-NZ 3.5Å
52L89.8Confident85.6Confident6 Ų630.8 Ų30.83%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-124.2133.5-172.7-170.1115000109.6L8 L10 F39 V40 M82 L88L8-L52 HydrophobicContact CB-CD1 4.4Å; L8-L52 HydrophobicContact CD2-CD1 3.56Å; L8-L52 HydrophobicContact CG-CD1 4.43Å; L8-L52 CarbonylContact O-C 3.48Å; L8-L52 WeakPolarHBondContact O-CA 3.5Å; L10-L52 HydrophobicContact CD1-CD1 3.93Å; L10-L52 HydrophobicContact CD1-CD2 4.08Å; L10-L52 HydrophobicContact CD1-CG 4.37Å; L10-L52 HydrophobicContact CG-CD1 4.02Å; L10-L52 HydrophobicContact CG-CG 4.41Å; F39-L52 HydrophobicContact CD1-CD1 4.06Å; F39-L52 HydrophobicContact CE1-CD1 3.53Å; V40-L52 HydrophobicContact CG2-CD2 4.08Å; L52-M82 PolarHBondContact N-O 2.56Å; L52-M82 PolarHBondContact O-N 2.95Å; L52-M82 VanDerWaalsContact O-N 3.11Å; L52-L88 HydrophobicContact CD2-CD2 3.38Å
53A91.9Very high85.9Confident0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-117.8151.1167.500000110L8 V9 L10 R79 L81 L115L8-A53 PolarHBondContact O-N 3.22Å; V9-A53 HydrophobicContact CG2-CB 4.21Å; L10-A53 PolarHBondContact N-O 3.43Å; A53-R79 WeakPolarHBondContact CA-O 3.29Å; A53-R79 WeakPolarHBondContact CB-O 3.27Å; A53-L81 HydrophobicContact CB-CB 4.37Å; A53-L81 HydrophobicContact CB-CD1 4.2Å; A53-L115 HydrophobicContact CB-CD2 3.63Å
54L93Very high86.1Confident1 Ų135.1 Ų35.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-122.3118.4178.1-178.463.4000109.4L10 L56 H78 R79 L88 I92 I96L10-L54 HydrophobicContact CB-CD1 3.84Å; L10-L54 WeakPolarHBondContact O-CA 3.16Å; L54-L56 HydrophobicContact CD1-CD2 4.15Å; L54-L56 HydrophobicContact CD2-CD2 4.42Å; L54-L56 HydrophobicContact CG-CD2 4.13Å; L54-H78 HydrophobicContact CD2-CB 4.33Å; L54-H78 HydrophobicContact CG-CB 4.28Å; L54-H78 PolarHBondContact O-N 3.04Å; L54-R79 HydrophobicContact CB-CB 4.23Å; L54-R79 PolarHBondContact N-O 3.02Å; L54-R79 PolarHBondContact O-N 2.95Å; L54-R79 VanDerWaalsContact O-N 3.08Å; L54-L88 HydrophobicContact CD2-CD1 4.15Å; L54-I92 HydrophobicContact CD2-CG1 4.17Å; L54-I96 HydrophobicContact CD2-CD1 3.62Å
55V93.5Very high86.1Confident0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-113.5129.2176.5-179.60000107.9V9 L10 C11 M12 I75 V77 V111 L115V9-V55 HydrophobicContact CG1-CB 4.28Å; V9-V55 HydrophobicContact CG1-CG2 3.65Å; L10-V55 PolarHBondContact O-N 3.07Å; C11-V55 CarbonylContact C-O 3.6Å; C11-V55 VanDerWaalsContact CA-O 3.31Å; C11-V55 WeakPolarHBondContact CA-O 3.41Å; M12-V55 PolarHBondContact N-O 3.17Å; V55-I75 HydrophobicContact CG1-CG2 3.8Å; V55-V77 HydrophobicContact CG2-CG2 4.43Å; V55-V111 HydrophobicContact CG1-CG1 4.5Å; V55-L115 HydrophobicContact CG2-CD2 3.93Å
56L92.8Very high86.2Confident8 Ų838.8 Ų38.84%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-111137.2176.1-55.2179.3000108.3M12 V14 L54 T59 I75 T76 H78 I96M12-L56 HydrophobicContact CB-CD2 3.91Å; M12-L56 WeakPolarHBondContact O-CA 3.31Å; V14-L56 HydrophobicContact CG1-CB 4.22Å; V14-L56 HydrophobicContact CG1-CD1 4.44Å; V14-L56 HydrophobicContact CG1-CD2 3.95Å; V14-L56 HydrophobicContact CG1-CG 4.42Å; V14-L56 HydrophobicContact CG2-CB 4.39Å; L54-L56 HydrophobicContact CD1-CD2 4.15Å; L54-L56 HydrophobicContact CD2-CD2 4.42Å; L54-L56 HydrophobicContact CG-CD2 4.13Å; L56-T59 HydrophobicContact CB-CG2 3.86Å; L56-I75 WeakPolarHBondContact O-CA 3.35Å; L56-T76 PolarHBondContact N-O 3.31Å; L56-T76 PolarHBondContact O-N 3.12Å; L56-H78 HydrophobicContact CD1-CB 3.99Å; L56-H78 HydrophobicContact CG-CB 4.09Å; L56-I96 HydrophobicContact CD1-CD1 4.41Å; L56-I96 HydrophobicContact CD1-CG1 4.34Å; L56-I96 HydrophobicContact CD1-CG2 4.3Å; L56-I96 HydrophobicContact CD2-CD1 4.33Å; L56-I96 HydrophobicContact CD2-CG2 4.42Å
57F91.4Very high86.4Confident1 Ų141 Ų410%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-130.4150174.568.2-85.3000110.8C11 M12 D13 V14 N74 I75 A103 W105 A108 L132C11-F57 WeakPolarHBondContact SG-CD1 3.3Å; M12-F57 VanDerWaalsContact C-CE1 3.4Å; M12-F57 VanDerWaalsContact O-CD1 3.29Å; M12-F57 WeakPolarHBondContact O-CD1 3.5Å; M12-F57 PolarHBondContact O-N 2.94Å; D13-F57 HydrophobicContact CB-CD2 4.42Å; D13-F57 HydrophobicContact CB-CE1 3.91Å; D13-F57 HydrophobicContact CB-CE2 3.66Å; D13-F57 HydrophobicContact CB-CZ 3.4Å; D13-F57 VanDerWaalsContact CG-CE2 3.47Å; D13-F57 VanDerWaalsContact N-CE1 3.3Å; V14-F57 WeakPolarHBondContact CG2-O 3.4Å; V14-F57 PolarHBondContact N-O 3.42Å; F57-N74 CarbonylContact C-O 3.54Å; F57-N74 WeakPolarHBondContact CA-O 3.43Å; F57-I75 HydrophobicContact CB-CG1 3.88Å; F57-A103 HydrophobicContact CB-CB 4.15Å; F57-A103 HydrophobicContact CD2-CB 4.3Å; F57-W105 HydrophobicContact CE2-CB 3.91Å; F57-W105 HydrophobicContact CZ-CB 4.05Å; F57-A108 HydrophobicContact CB-CB 3.74Å; F57-A108 HydrophobicContact CD1-CB 3.75Å; F57-A108 HydrophobicContact CD2-CB 4.33Å; F57-A108 HydrophobicContact CE1-CB 4.39Å; F57-A108 HydrophobicContact CG-CB 3.69Å; F57-L132 HydrophobicContact CE1-CD1 3.75Å; F57-L132 HydrophobicContact CZ-CD1 4.11Å
58G87.9Confident86.3Confident0 Ų042.2 Ų42.20%022%0.218CC..SBendtrans87.816.9-164.200000113.3N74G58-N74 PolarHBondContact N-O 2.81Å
59T89.6Confident86Confident3 Ų349.1 Ų49.12%0.01825%0.254CS..  trans-79.9148.6178.752.40000112.2V14 L56 S61 N74 T76 E99V14-T59 HydrophobicContact CG2-CG2 3.5Å; L56-T59 HydrophobicContact CB-CG2 3.86Å; T59-S61 WeakPolarHBondContact CB-O 3.34Å; T59-S61 PolarHBondContact O-N 2.99Å; T59-S61 PolarHBondContact OG1-O 2.95Å; T59-N74 PolarHBondContact N-O 2.98Å; T59-N74 WeakPolarHBondContact O-CA 3.38Å; T59-N74 VanDerWaalsContact O-CB 3.24Å; T59-N74 WeakPolarHBondContact O-CB 3.05Å; T59-N74 PolarHBondContact O-ND2 3.05Å; T59-N74 PolarHBondContact OG1-O 2.75Å; T59-T76 PolarHBondContact OG1-OG1 2.65Å; T59-E99 WeakPolarHBondContact CA-OE2 3.41Å; T59-E99 WeakPolarHBondContact CB-OE2 3.28Å
60D87.6Confident85.6Confident90 Ų9044.5 Ų44.548%0.48125%0.246SC..SBendtrans-61.2-28.1173.3-71.3-12.6000111.7E99 N100D60-E99 WeakPolarHBondContact CB-OE2 3.29Å; D60-E99 PolarHBondContact N-OE2 2.81Å; D60-N100 PolarHBondContact OD1-N 2.91Å
61S85.5Confident85.4Confident53 Ų5348.4 Ų48.437%0.37126%0.264SS..SBendtrans-110153.4174.875.20000112.7T59 T76T59-S61 WeakPolarHBondContact CB-O 3.34Å; T59-S61 PolarHBondContact O-N 2.99Å; T59-S61 PolarHBondContact OG1-O 2.95Å; S61-T76 PolarHBondContact O-OG1 3.13Å
62T88Confident85.1Confident40 Ų4049.1 Ų49.125%0.24527%0.266CS..  trans-107.2124.9172.9-53.10000109N64 D67 Y72 N74T62-N64 WeakPolarHBondContact CG2-OD1 3.48Å; T62-D67 HydrophobicContact CG2-CB 3.98Å; T62-Y72 WeakPolarHBondContact CG2-O 3.49Å; T62-N74 PolarHBondContact OG1-N 3.45Å
63K85.4Confident85Confident140 Ų14053.6 Ų53.661%0.60929%0.287SS*.BIsolated β-bridgetrans-14675.6177.5-68.3-179.1-173.2168.50109.7I75 T76 V77K63-I75 CarbonylContact C-O 3.53Å; K63-I75 PolarHBondContact N-O 3.09Å; K63-T76 HydrophobicContact CB-CG2 4Å; K63-T76 HydrophobicContact CD-CG2 4.26Å; K63-V77 PolarHBondContact O-N 2.81Å
64N86Confident84.8Confident16 Ų1655.1 Ų55.19%0.08630%0.295CS..  trans-136.9150.817660.6-56.2000110.6T62 L66 D67 Y72 I75 V77 V111T62-N64 WeakPolarHBondContact CG2-OD1 3.48Å; N64-L66 PolarHBondContact O-N 3.03Å; N64-L66 VanDerWaalsContact O-N 3.15Å; N64-D67 PolarHBondContact ND2-N 2.88Å; N64-D67 PolarHBondContact O-N 3.39Å; N64-Y72 VanDerWaalsContact ND2-CB 3.3Å; N64-Y72 WeakPolarHBondContact ND2-CB 3.42Å; N64-Y72 PolarHBondContact OD1-O 3.14Å; N64-I75 PolarHBondContact OD1-O 3.14Å; N64-V77 HydrophobicContact CB-CG2 4.38Å; N64-V111 HydrophobicContact CB-CG1 3.92Å; N64-V111 HydrophobicContact CB-CG2 4.36Å
65P82.2Confident84.7Confident77 Ų7755 Ų5550%0.530%0.295SS..THydrogen-bonded Turntrans-63.2-19.8-179.3-22.133.6000114.6
66L83.8Confident84.5Confident46 Ų4655.7 Ų55.724%0.24130%0.299CS..THydrogen-bonded Turntrans-968.2-176.8-60.3179.7000113.7N64 Q68 Y72 V110 V111 D114N64-L66 PolarHBondContact O-N 3.03Å; N64-L66 VanDerWaalsContact O-N 3.15Å; L66-Q68 VanDerWaalsContact C-N 3.27Å; L66-Q68 PolarHBondContact O-N 3Å; L66-Y72 HydrophobicContact CB-CD2 3.97Å; L66-Y72 HydrophobicContact CB-CE2 4.43Å; L66-Y72 HydrophobicContact CB-CG 4.31Å; L66-Y72 WeakPolarHBondContact O-CD2 3.03Å; L66-V110 HydrophobicContact CD1-CG1 4.29Å; L66-V111 HydrophobicContact CD1-CG2 4.25Å; L66-D114 HydrophobicContact CD1-CB 3.71Å; L66-D114 HydrophobicContact CG-CB 4.3Å
67D80.1Confident84.5Confident76 Ų7656 Ų5641%0.40630%0.301SS..  trans-68.483175.9-175.518.9000110.7T62 N64T62-D67 HydrophobicContact CG2-CB 3.98Å; N64-D67 PolarHBondContact ND2-N 2.88Å; N64-D67 PolarHBondContact O-N 3.39Å
68Q74.1Confident84.3Confident137 Ų13758.7 Ų58.764%0.6431%0.313SS*.  trans-136140.8176.5-63.8-176.820.100109.2L66 G70 Q71L66-Q68 VanDerWaalsContact C-N 3.27Å; L66-Q68 PolarHBondContact O-N 3Å; Q68-G70 PolarHBondContact O-N 2.92Å; Q68-G70 VanDerWaalsContact O-N 3.11Å; Q68-Q71 PolarHBondContact O-N 3.06Å
69D71.3Confident84.3Confident162 Ų16259.8 Ų59.887%0.86632%0.317SS*.THydrogen-bonded Turntrans57.824.5174.9-57.1-38.6000115.9Q71D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 2.87Å
70G71.4Confident84.4Confident44 Ų4464.8 Ų64.845%0.45434%0.34SS..THydrogen-bonded Turntrans74.215.7177.300000114.8Q68Q68-G70 PolarHBondContact O-N 2.92Å; Q68-G70 VanDerWaalsContact O-N 3.11Å
71Q79.8Confident84.4Confident99 Ų9961.1 Ų61.146%0.46332%0.321SS..  trans-94.6158.2168-62.4-169.60.600110.4Q68 D69 Q73Q68-Q71 PolarHBondContact O-N 3.06Å; D69-Q71 VanDerWaalsContact C-N 3.29Å; D69-Q71 PolarHBondContact O-N 2.87Å; Q71-Q73 VanDerWaalsContact C-N 3.32Å; Q71-Q73 PolarHBondContact O-N 3.49Å
72Y83.1Confident84.5Confident32 Ų3262.2 Ų62.213%0.12532%0.321CS..SBendtrans60.735.5-179.6-49.1-76.9000114.3T62 N64 L66 D107 V110 V111T62-Y72 WeakPolarHBondContact CG2-O 3.49Å; N64-Y72 VanDerWaalsContact ND2-CB 3.3Å; N64-Y72 WeakPolarHBondContact ND2-CB 3.42Å; N64-Y72 PolarHBondContact OD1-O 3.14Å; L66-Y72 HydrophobicContact CB-CD2 3.97Å; L66-Y72 HydrophobicContact CB-CE2 4.43Å; L66-Y72 HydrophobicContact CB-CG 4.31Å; L66-Y72 WeakPolarHBondContact O-CD2 3.03Å; Y72-D107 HydrophobicContact CD1-CB 3.6Å; Y72-D107 HydrophobicContact CE1-CB 3.95Å; Y72-D107 WeakPolarHBondContact CE1-OD1 3.38Å; Y72-V110 HydrophobicContact CE1-CB 3.85Å; Y72-V110 HydrophobicContact CE1-CG1 3.78Å; Y72-V111 HydrophobicContact CD1-CG2 3.82Å; Y72-V111 HydrophobicContact CG-CG2 4.19Å
73Q86.3Confident84.5Confident101 Ų10163.8 Ų63.847%0.47233%0.331SS..THydrogen-bonded Turntrans-73.3157.7177-62.7-166.6-1500111.9Q71 I75Q71-Q73 VanDerWaalsContact C-N 3.32Å; Q71-Q73 PolarHBondContact O-N 3.49Å; Q73-I75 PolarHBondContact O-N 3.49Å
74N88.4Confident84.5Confident31 Ų3157.7 Ų57.717%0.16631%0.305CS..THydrogen-bonded Turntrans62.626.5175.8-54.6100.8000113.6F57 G58 T59 T62 A103F57-N74 CarbonylContact C-O 3.54Å; F57-N74 WeakPolarHBondContact CA-O 3.43Å; G58-N74 PolarHBondContact N-O 2.81Å; T59-N74 PolarHBondContact N-O 2.98Å; T59-N74 WeakPolarHBondContact O-CA 3.38Å; T59-N74 VanDerWaalsContact O-CB 3.24Å; T59-N74 WeakPolarHBondContact O-CB 3.05Å; T59-N74 PolarHBondContact O-ND2 3.05Å; T59-N74 PolarHBondContact OG1-O 2.75Å; T62-N74 PolarHBondContact OG1-N 3.45Å; N74-A103 HydrophobicContact CB-CB 3.95Å
75I90Very high84.5Confident0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-118.5128.6175.4-59.7162.2000108.7V55 L56 F57 K63 N64 Q73 A103 D107 A108 V111V55-I75 HydrophobicContact CG1-CG2 3.8Å; L56-I75 WeakPolarHBondContact O-CA 3.35Å; F57-I75 HydrophobicContact CB-CG1 3.88Å; K63-I75 CarbonylContact C-O 3.53Å; K63-I75 PolarHBondContact N-O 3.09Å; N64-I75 PolarHBondContact OD1-O 3.14Å; Q73-I75 PolarHBondContact O-N 3.49Å; I75-A103 HydrophobicContact CG1-CB 4.31Å; I75-D107 HydrophobicContact CD1-CB 3.88Å; I75-A108 HydrophobicContact CD1-CB 4.2Å; I75-A108 HydrophobicContact CG1-CB 4.42Å; I75-V111 HydrophobicContact CD1-CG2 4.13Å; I75-V111 HydrophobicContact CG2-CB 4.28Å; I75-V111 HydrophobicContact CG2-CG1 4.04Å; I75-V111 HydrophobicContact CG2-CG2 4.24Å
76T90.7Very high84.6Confident13 Ų1360 Ų608%0.0831%0.309CS..EExtended strand (participates in β ladder)trans-125.6122.1-179.1-67.80000110.2L56 T59 S61 K63 H78L56-T76 PolarHBondContact N-O 3.31Å; L56-T76 PolarHBondContact O-N 3.12Å; T59-T76 PolarHBondContact OG1-OG1 2.65Å; S61-T76 PolarHBondContact O-OG1 3.13Å; K63-T76 HydrophobicContact CB-CG2 4Å; K63-T76 HydrophobicContact CD-CG2 4.26Å; T76-H78 PolarHBondContact O-N 3.33Å; T76-H78 VanDerWaalsContact O-N 3.13Å
77V91.1Very high84.7Confident16 Ų1663.6 Ų63.610%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-75.698.6165.7-176.90000107.4V55 K63 N64 V111 L115V55-V77 HydrophobicContact CG2-CG2 4.43Å; K63-V77 PolarHBondContact O-N 2.81Å; N64-V77 HydrophobicContact CB-CG2 4.38Å; V77-V111 HydrophobicContact CG2-CG1 4.29Å; V77-L115 HydrophobicContact CG1-CD1 4.27Å; V77-L115 HydrophobicContact CG1-CD2 4.07Å
78H88.5Confident85Confident56 Ų5660 Ų6026%0.25931%0.305SS..EExtended strand (participates in β ladder)trans-71.7-42.7-179.2-173.781.2000111L54 L56 T76 E91L54-H78 HydrophobicContact CD2-CB 4.33Å; L54-H78 HydrophobicContact CG-CB 4.28Å; L54-H78 PolarHBondContact O-N 3.04Å; L56-H78 HydrophobicContact CD1-CB 3.99Å; L56-H78 HydrophobicContact CG-CB 4.09Å; T76-H78 PolarHBondContact O-N 3.33Å; T76-H78 VanDerWaalsContact O-N 3.13Å; H78-E91 IonicContact NE2-OE2 3.48Å
79R88.1Confident85.5Confident23 Ų2353.6 Ų53.69%0.08728%0.275CS..EExtended strand (participates in β ladder)trans-136.1134.8174.7-115.4-147.7-174.6-176.1-5.2112.5A53 L54 M82 D85 E87 L88 E91A53-R79 WeakPolarHBondContact CA-O 3.29Å; A53-R79 WeakPolarHBondContact CB-O 3.27Å; L54-R79 HydrophobicContact CB-CB 4.23Å; L54-R79 PolarHBondContact N-O 3.02Å; L54-R79 PolarHBondContact O-N 2.95Å; L54-R79 VanDerWaalsContact O-N 3.08Å; R79-M82 VanDerWaalsContact CZ-CE 3.42Å; R79-M82 PolarHBondContact NE-SD 2.92Å; R79-M82 VanDerWaalsContact NH1-CE 3.26Å; R79-M82 PolarHBondContact NH1-SD 3.13Å; R79-D85 IonicContact CZ-OD1 2.83Å; R79-D85 IonicContact CZ-OD2 3.25Å; R79-D85 VanDerWaalsContact NH1-CG 3.34Å; R79-D85 IonicContact NH1-OD1 3.84Å; R79-D85 PolarHBondContact NH1-OD1 3.37Å; R79-D85 IonicContact NH1-OD2 3.09Å; R79-D85 PolarHBondContact NH1-OD2 2.8Å; R79-D85 VanDerWaalsContact NH2-CG 3.25Å; R79-D85 IonicContact NH2-OD1 2.76Å; R79-D85 PolarHBondContact NH2-OD1 3.37Å; R79-D85 IonicContact NH2-OD2 3.98Å; R79-D85 PolarHBondContact NH2-OD2 3.29Å; R79-E87 IonicContact NH2-OE2 2.86Å; R79-L88 HydrophobicContact CG-CD1 4.5Å; R79-E91 IonicContact NE-OE2 2.98Å
80H90.6Very high86.2Confident108 Ų10850.9 Ų50.950%0.526%0.257SS..EExtended strand (participates in β ladder)trans-73.4165.7169.7-66.4-81.3000111.6M82 E119H80-M82 PolarHBondContact O-N 3.09Å; H80-E119 IonicContact CE1-OE1 2.61Å; H80-E119 IonicContact CG-OE1 3Å; H80-E119 IonicContact ND1-OE1 3.23Å; H80-E119 PolarHBondContact ND1-OE1 3.22Å
81L87.6Confident87Confident14 Ų1450.7 Ų50.77%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-66.5102.1-174-168.271.2000111.7A7 E51 A53 E119 T120A7-L81 HydrophobicContact CB-CD1 4.11Å; A7-L81 HydrophobicContact CB-CD2 4.01Å; E51-L81 HydrophobicContact CB-CD1 3.76Å; E51-L81 HydrophobicContact CB-CD2 4.22Å; E51-L81 HydrophobicContact CB-CG 3.57Å; E51-L81 WeakPolarHBondContact O-CD1 3.46Å; A53-L81 HydrophobicContact CB-CB 4.37Å; A53-L81 HydrophobicContact CB-CD1 4.2Å; L81-E119 WeakPolarHBondContact CA-OE2 3.26Å; L81-E119 HydrophobicContact CB-CB 4.18Å; L81-E119 WeakPolarHBondContact CB-OE2 3.28Å; L81-E119 HydrophobicContact CD2-CB 4.2Å; L81-E119 PolarHBondContact N-OE2 2.88Å; L81-T120 HydrophobicContact CD2-CG2 3.71Å
82M88.1Confident87.3Confident75 Ų7546 Ų4637%0.36922%0.223SC..EExtended strand (participates in β ladder)trans-143166.7177.264.4-177.7-78.700112.2L52 R79 H80L52-M82 PolarHBondContact N-O 2.56Å; L52-M82 PolarHBondContact O-N 2.95Å; L52-M82 VanDerWaalsContact O-N 3.11Å; R79-M82 VanDerWaalsContact CZ-CE 3.42Å; R79-M82 PolarHBondContact NE-SD 2.92Å; R79-M82 VanDerWaalsContact NH1-CE 3.26Å; R79-M82 PolarHBondContact NH1-SD 3.13Å; H80-M82 PolarHBondContact O-N 3.09Å
83V87.3Confident87.4Confident74 Ų7447.6 Ų47.645%0.44823%0.231SC..  trans-66.1129.4175.2178.60000108.2
84P85.4Confident87.4Confident11 Ų1146.9 Ų46.97%0.07123%0.228CC..  trans-63.6142.2-17926.2-34.2000110.9V40 Q43 V44 D50 L88V40-P84 HydrophobicContact CG1-CB 4.01Å; Q43-P84 HydrophobicContact CB-CG 3.83Å; V44-P84 HydrophobicContact CG2-CB 3.89Å; V44-P84 HydrophobicContact CG2-CG 4.33Å; D50-P84 WeakPolarHBondContact O-CD 3.46Å; P84-L88 HydrophobicContact CB-CD2 4.27Å
85D86.9Confident87.2Confident39 Ų3951 Ų5121%0.20925%0.246CC..  trans-132.2179.5-177.654.18.5000110.9R79 E87 L88R79-D85 IonicContact CZ-OD1 2.83Å; R79-D85 IonicContact CZ-OD2 3.25Å; R79-D85 VanDerWaalsContact NH1-CG 3.34Å; R79-D85 IonicContact NH1-OD1 3.84Å; R79-D85 PolarHBondContact NH1-OD1 3.37Å; R79-D85 IonicContact NH1-OD2 3.09Å; R79-D85 PolarHBondContact NH1-OD2 2.8Å; R79-D85 VanDerWaalsContact NH2-CG 3.25Å; R79-D85 IonicContact NH2-OD1 2.76Å; R79-D85 PolarHBondContact NH2-OD1 3.37Å; R79-D85 IonicContact NH2-OD2 3.98Å; R79-D85 PolarHBondContact NH2-OD2 3.29Å; D85-E87 VanDerWaalsContact C-N 3.29Å; D85-L88 WeakPolarHBondContact OD1-CB 3.37Å; D85-L88 PolarHBondContact OD1-N 2.62Å
86F84.3Confident87Confident104 Ų10451.3 Ų51.346%0.45625%0.247SC..Hα-helixtrans-68.8-29.1177.6-68.8-77.2000112.6V44 F45 L89 E90 A488V44-F86 HydrophobicContact CG1-CD1 4.36Å; V44-F86 HydrophobicContact CG1-CD2 4.38Å; V44-F86 HydrophobicContact CG1-CE1 4Å; V44-F86 HydrophobicContact CG1-CE2 4.02Å; V44-F86 HydrophobicContact CG1-CZ 3.81Å; F45-F86 HydrophobicContact CD1-CE1 4.42Å; F45-F86 HydrophobicContact CD1-CZ 4.3Å; F45-F86 AromaticContact CE1-CE1 3.51Å; F45-F86 HydrophobicContact CE1-CE1 3.51Å; F45-F86 AromaticContact CE1-CZ 3.7Å; F45-F86 HydrophobicContact CE1-CZ 3.7Å; F45-F86 AromaticContact CZ-CE1 3.92Å; F45-F86 HydrophobicContact CZ-CE1 3.92Å; F86-L89 HydrophobicContact CD1-CD1 4.38Å; F86-L89 WeakPolarHBondContact O-CB 3.05Å; F86-L89 PolarHBondContact O-N 2.87Å; F86-E90 PolarHBondContact O-N 2.89Å; F86-E90 VanDerWaalsContact O-N 3.07Å; F86-A488 HydrophobicContact CD1-CB 4.12Å; F86-A488 HydrophobicContact CE1-CB 4.31Å
87E86.3Confident86.8Confident121 Ų12155.6 Ų55.657%0.56527%0.266SS*.Hα-helixtrans-60.6-45.7176.7-64.3178.8-175.700110.6R79 D85 L89 E90 E91R79-E87 IonicContact NH2-OE2 2.86Å; D85-E87 VanDerWaalsContact C-N 3.29Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 3.09Å; E87-E90 WeakPolarHBondContact O-CB 3.06Å; E87-E90 PolarHBondContact O-N 2.96Å; E87-E90 VanDerWaalsContact O-N 3.11Å; E87-E91 WeakPolarHBondContact O-CB 3.46Å; E87-E91 VanDerWaalsContact O-CG 3.29Å; E87-E91 WeakPolarHBondContact O-CG 3.45Å; E87-E91 PolarHBondContact O-N 3.41Å
88L85.9Confident86.6Confident1 Ų157.7 Ų57.71%0.00528%0.28CS..Hα-helixtrans-59.7-37.6175.5179.160.2000112.9V40 L52 L54 R79 P84 D85 E90 E91 I92V40-L88 HydrophobicContact CG1-CD2 3.98Å; V40-L88 HydrophobicContact CG1-CG 4.31Å; V40-L88 HydrophobicContact CG2-CD2 4.26Å; L52-L88 HydrophobicContact CD2-CD2 3.38Å; L54-L88 HydrophobicContact CD2-CD1 4.15Å; R79-L88 HydrophobicContact CG-CD1 4.5Å; P84-L88 HydrophobicContact CB-CD2 4.27Å; D85-L88 WeakPolarHBondContact OD1-CB 3.37Å; D85-L88 PolarHBondContact OD1-N 2.62Å; L88-E90 VanDerWaalsContact C-N 3.33Å; L88-E91 PolarHBondContact O-N 3.22Å; L88-I92 HydrophobicContact CD1-CD1 3.97Å; L88-I92 HydrophobicContact CD1-CG1 4.15Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 VanDerWaalsContact O-CD1 3.27Å; L88-I92 WeakPolarHBondContact O-CD1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.17Å; L88-I92 PolarHBondContact O-N 3.21Å
89L84.8Confident86.5Confident2 Ų257.6 Ų57.61%0.0128%0.28CS..Hα-helixtrans-66-38.3176.7-75.7169.2000112V40 Q41 V44 F86 E87 E93V40-L89 HydrophobicContact CB-CD2 3.75Å; V40-L89 HydrophobicContact CB-CG 4.43Å; V40-L89 HydrophobicContact CG1-CD2 3.62Å; V40-L89 HydrophobicContact CG1-CG 3.74Å; Q41-L89 HydrophobicContact CB-CD2 4.28Å; V44-L89 HydrophobicContact CG2-CD1 4.27Å; F86-L89 HydrophobicContact CD1-CD1 4.38Å; F86-L89 WeakPolarHBondContact O-CB 3.05Å; F86-L89 PolarHBondContact O-N 2.87Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 3.09Å; L89-E93 PolarHBondContact O-N 2.96Å; L89-E93 VanDerWaalsContact O-N 3.14Å
90E85.8Confident86.3Confident105 Ų10561.9 Ų61.949%0.49130%0.304SS..Hα-helixtrans-69.9-40.8175.9-168.9177.617700111.4F86 E87 L88 E93 H94F86-E90 PolarHBondContact O-N 2.89Å; F86-E90 VanDerWaalsContact O-N 3.07Å; E87-E90 WeakPolarHBondContact O-CB 3.06Å; E87-E90 PolarHBondContact O-N 2.96Å; E87-E90 VanDerWaalsContact O-N 3.11Å; L88-E90 VanDerWaalsContact C-N 3.33Å; E90-E93 PolarHBondContact O-N 2.93Å; E90-H94 WeakPolarHBondContact O-CB 3.39Å; E90-H94 PolarHBondContact O-N 2.88Å
91E87Confident86.2Confident39 Ų3961.2 Ų61.218%0.18230%0.301CS..Hα-helixtrans-58.8-47.2173-72.7169.6178.500111.3H78 R79 E87 L88 E93 H94 Q95 I96H78-E91 IonicContact NE2-OE2 3.48Å; R79-E91 IonicContact NE-OE2 2.98Å; E87-E91 WeakPolarHBondContact O-CB 3.46Å; E87-E91 VanDerWaalsContact O-CG 3.29Å; E87-E91 WeakPolarHBondContact O-CG 3.45Å; E87-E91 PolarHBondContact O-N 3.41Å; L88-E91 PolarHBondContact O-N 3.22Å; E91-E93 VanDerWaalsContact C-N 3.31Å; E91-E93 PolarHBondContact O-N 2.95Å; E91-H94 PolarHBondContact O-N 2.83Å; E91-Q95 WeakPolarHBondContact O-CA 3.38Å; E91-Q95 VanDerWaalsContact O-CB 3.27Å; E91-Q95 WeakPolarHBondContact O-CB 3.39Å; E91-Q95 PolarHBondContact O-N 3Å; E91-I96 PolarHBondContact O-N 3.43Å
92I87.3Confident86Confident1 Ų164.8 Ų64.81%0.00532%0.318CS..Hα-helixtrans-62.5-39.8177.7-66.1157.3000111.2K33 I36 Q37 V40 L54 L88 I96K33-I92 WeakPolarHBondContact CE-O 3.44Å; K33-I92 HydrophobicContact CG-CG2 4.13Å; K33-I92 PolarHBondContact NZ-O 3.47Å; I36-I92 HydrophobicContact CG2-CD1 3.79Å; I36-I92 HydrophobicContact CG2-CG1 4.46Å; I36-I92 HydrophobicContact CG2-CG2 4.42Å; Q37-I92 HydrophobicContact CG-CB 4.47Å; Q37-I92 HydrophobicContact CG-CG2 3.59Å; V40-I92 HydrophobicContact CG2-CD1 3.99Å; L54-I92 HydrophobicContact CD2-CG1 4.17Å; L88-I92 HydrophobicContact CD1-CD1 3.97Å; L88-I92 HydrophobicContact CD1-CG1 4.15Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 HydrophobicContact CG-CG1 4.47Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 VanDerWaalsContact O-CD1 3.27Å; L88-I92 WeakPolarHBondContact O-CD1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.17Å; L88-I92 PolarHBondContact O-N 3.21Å; I92-I96 HydrophobicContact CB-CD1 4.11Å; I92-I96 HydrophobicContact CG1-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CD1 4.27Å
93E84.7Confident85.9Confident65 Ų6561.6 Ų61.630%0.30430%0.304SS..Hα-helixtrans-72.4-42-179.6-176.462.3-178.300112.9K33 Q37 L89 E90 E91K33-E93 VanDerWaalsContact CE-OE2 3.29Å; K33-E93 WeakPolarHBondContact CE-OE2 2.83Å; K33-E93 PolarHBondContact NZ-O 3.48Å; K33-E93 IonicContact NZ-OE2 3.82Å; Q37-E93 PolarHBondContact NE2-OE2 3.44Å; L89-E93 PolarHBondContact O-N 2.96Å; L89-E93 VanDerWaalsContact O-N 3.14Å; E90-E93 PolarHBondContact O-N 2.93Å; E91-E93 VanDerWaalsContact C-N 3.31Å; E91-E93 PolarHBondContact O-N 2.95Å
94H85.8Confident85.9Confident87 Ų8759.2 Ų59.240%0.40329%0.288SS..Hα-helixtrans-108.6-20.2-168.8-64.6-40.9000115.8E90 E91 H97E90-H94 WeakPolarHBondContact O-CB 3.39Å; E90-H94 PolarHBondContact O-N 2.88Å; E91-H94 PolarHBondContact O-N 2.83Å; H94-H97 PolarHBondContact O-CE1 3.11Å
95Q84.9Confident86Confident117 Ų11758.8 Ų58.855%0.54729%0.285SS..THydrogen-bonded Turntrans-107.3-31.7-174.5-57.1-176.616.900113E91 H97E91-Q95 WeakPolarHBondContact O-CA 3.38Å; E91-Q95 VanDerWaalsContact O-CB 3.27Å; E91-Q95 WeakPolarHBondContact O-CB 3.39Å; E91-Q95 PolarHBondContact O-N 3Å; Q95-H97 PolarHBondContact O-N 2.95Å; Q95-H97 PolarHBondContact O-ND1 3.27Å
96I86.4Confident86Confident6 Ų657 Ų573%0.03128%0.276CS..  trans-83.7116.7-177.8-51.3-178.5000110.2M12 V14 F29 L54 L56 E91 I92M12-I96 HydrophobicContact SD-CG2 4.39Å; V14-I96 HydrophobicContact CG1-CG2 4.07Å; F29-I96 HydrophobicContact CE2-CG2 4.26Å; F29-I96 HydrophobicContact CZ-CG2 3.98Å; L54-I96 HydrophobicContact CD2-CD1 3.62Å; L56-I96 HydrophobicContact CD1-CD1 4.41Å; L56-I96 HydrophobicContact CD1-CG1 4.34Å; L56-I96 HydrophobicContact CD1-CG2 4.3Å; L56-I96 HydrophobicContact CD2-CD1 4.33Å; L56-I96 HydrophobicContact CD2-CG2 4.42Å; E91-I96 PolarHBondContact O-N 3.43Å; I92-I96 HydrophobicContact CB-CD1 4.11Å; I92-I96 HydrophobicContact CG1-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CD1 4.27Å
97H86.1Confident86.2Confident104 Ų10453.4 Ų53.448%0.48126%0.261SS..  trans-131.7157.6178.9-59.793.8000109.5F29 H94 Q95F29-H97 VanDerWaalsContact CZ-C 3.48Å; H94-H97 PolarHBondContact O-CE1 3.11Å; Q95-H97 PolarHBondContact O-N 2.95Å; Q95-H97 PolarHBondContact O-ND1 3.27Å
98P86.2Confident86.4Confident59 Ų5947.6 Ų47.638%0.38323%0.234SC..  trans-65.8135.2170.428.3-33.1000109.9V14 F29V14-P98 CarbonylContact O-C 3.52Å; V14-P98 WeakPolarHBondContact O-CA 3.33Å; F29-P98 HydrophobicContact CD2-CB 4.28Å; F29-P98 HydrophobicContact CE2-CB 4.42Å; F29-P98 HydrophobicContact CG-CB 4.4Å
99E87.4Confident86.6Confident54 Ų5447.7 Ų47.725%0.25223%0.234SC..  trans-111.7172179.9-65.2-173.2-155.800110.3V14 G15 F16 T59 D60V14-E99 PolarHBondContact O-N 3.24Å; G15-E99 CarbonylContact C-O 3.57Å; F16-E99 WeakPolarHBondContact CA-O 3.42Å; F16-E99 PolarHBondContact N-O 3.45Å; T59-E99 WeakPolarHBondContact CA-OE2 3.41Å; T59-E99 WeakPolarHBondContact CB-OE2 3.28Å; D60-E99 WeakPolarHBondContact CB-OE2 3.29Å; D60-E99 PolarHBondContact N-OE2 2.81Å
100N84.3Confident86.8Confident113 Ų11349 Ų4960%0.60424%0.242SC*.SBendtrans-91.6-8.1-166.7-67.3-55.7000114.2D60D60-N100 PolarHBondContact OD1-N 2.91Å
101Q86.7Confident87Confident94 Ų9444 Ų4444%0.43922%0.219SC..  trans-97.8169.5-175.5-55.8-57.912.300112.7G15 F16G15-Q101 WeakPolarHBondContact CA-O 3.42Å; F16-Q101 PolarHBondContact N-O 3.41Å
102Q84.8Confident87.2Confident90 Ų9042.1 Ų42.142%0.42121%0.21SC..  trans-128.8147.5174.4-66.9-175.2-47.600108.3S17 T138S17-Q102 PolarHBondContact OG-NE2 3.33Å; Q102-T138 HydrophobicContact CB-CG2 4.07Å
103A85.7Confident87.3Confident8 Ų843.1 Ų43.17%0.06622%0.215CC..  trans-135.6154.8179.500000110.1F57 N74 I75 W105F57-A103 HydrophobicContact CB-CB 4.15Å; F57-A103 HydrophobicContact CD2-CB 4.3Å; N74-A103 HydrophobicContact CB-CB 3.95Å; I75-A103 HydrophobicContact CG1-CB 4.31Å; A103-W105 PolarHBondContact O-N 3.37Å
104D87.4Confident87.5Confident23 Ų2342 Ų4212%0.12321%0.212CC..  trans-68.9123.6174.2-172.6-11.3000109.5L106 D107 A108 A140 S141D104-L106 VanDerWaalsContact C-N 3.26Å; D104-L106 PolarHBondContact O-N 3.33Å; D104-L106 WeakPolarHBondContact OD1-CB 3.4Å; D104-L106 PolarHBondContact OD1-N 2.86Å; D104-D107 HydrophobicContact CB-CB 4.07Å; D104-D107 WeakPolarHBondContact O-CB 2.98Å; D104-D107 PolarHBondContact O-N 3.16Å; D104-A108 PolarHBondContact O-N 2.79Å; D104-A108 VanDerWaalsContact O-N 3.11Å; D104-A140 WeakPolarHBondContact OD1-CB 3.4Å; D104-S141 PolarHBondContact OD2-N 2.87Å; D104-S141 PolarHBondContact OD2-OG 3.21Å
105W86.9Confident87.6Confident2 Ų238.2 Ų38.21%0.00819%0.194CC..Hα-helixtrans-70-24.5179.566.1-94.5000112.2F57 A103 A108 L109 L132 L136 A140 F161 M201 V202 I205F57-W105 HydrophobicContact CE2-CB 3.91Å; F57-W105 HydrophobicContact CZ-CB 4.05Å; A103-W105 PolarHBondContact O-N 3.37Å; W105-A108 PolarHBondContact O-N 2.89Å; W105-L109 WeakPolarHBondContact O-CB 3.35Å; W105-L109 PolarHBondContact O-N 3.43Å; W105-L132 HydrophobicContact CB-CD2 4.31Å; W105-L132 HydrophobicContact CD2-CD2 4.32Å; W105-L132 HydrophobicContact CE3-CD2 3.72Å; W105-L132 HydrophobicContact CZ3-CD2 4.45Å; W105-L136 HydrophobicContact CD2-CD2 4.38Å; W105-L136 HydrophobicContact CG-CD2 4.46Å; W105-A140 HydrophobicContact CZ2-CB 4.33Å; W105-A140 VanDerWaalsContact NE1-CB 3.25Å; W105-F161 HydrophobicContact CE3-CE1 4.23Å; W105-F161 AromaticContact CZ3-CE1 3.88Å; W105-F161 HydrophobicContact CZ3-CE1 3.88Å; W105-F161 AromaticContact CZ3-CZ 3.95Å; W105-F161 HydrophobicContact CZ3-CZ 3.95Å; W105-M201 HydrophobicContact CH2-CB 4.48Å; W105-M201 HydrophobicContact CZ2-CB 4.21Å; W105-V202 HydrophobicContact CH2-CG2 3.86Å; W105-V202 HydrophobicContact CZ2-CG2 4.17Å; W105-V202 HydrophobicContact CZ3-CG2 4.4Å; W105-I205 HydrophobicContact CH2-CD1 3.76Å; W105-I205 HydrophobicContact CZ3-CD1 4.1Å
106L87.7Confident87.8Confident2 Ų232.8 Ų32.81%0.0117%0.169CC..Hα-helixtrans-69.6-37.8172-71.5170.9000111.3D104 A108 L109 V110 A140 S141 L145 I148 M201 I205D104-L106 VanDerWaalsContact C-N 3.26Å; D104-L106 PolarHBondContact O-N 3.33Å; D104-L106 WeakPolarHBondContact OD1-CB 3.4Å; D104-L106 PolarHBondContact OD1-N 2.86Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-V110 WeakPolarHBondContact O-CG2 3.49Å; L106-V110 PolarHBondContact O-N 2.84Å; L106-A140 HydrophobicContact CD1-CB 3.89Å; L106-A140 HydrophobicContact CG-CB 4.28Å; L106-S141 WeakPolarHBondContact CD1-O 3.39Å; L106-L145 HydrophobicContact CD1-CD2 3.72Å; L106-L145 HydrophobicContact CD1-CG 4.27Å; L106-L145 HydrophobicContact CD2-CD2 3.6Å; L106-L145 HydrophobicContact CG-CD2 4.35Å; L106-I148 HydrophobicContact CB-CD1 4.44Å; L106-I148 HydrophobicContact CD2-CD1 4.26Å; L106-M201 HydrophobicContact CD1-SD 4.47Å; L106-I205 HydrophobicContact CD2-CD1 4.14Å
107D88.8Confident87.8Confident28 Ų2837.8 Ų37.815%0.1519%0.192CC..Hα-helixtrans-65-40.8173.3-86.2-5000110.6Y72 I75 D104 L109 V110 V111Y72-D107 HydrophobicContact CD1-CB 3.6Å; Y72-D107 HydrophobicContact CE1-CB 3.95Å; Y72-D107 WeakPolarHBondContact CE1-OD1 3.38Å; I75-D107 HydrophobicContact CD1-CB 3.88Å; D104-D107 HydrophobicContact CB-CB 4.07Å; D104-D107 WeakPolarHBondContact O-CB 2.98Å; D104-D107 PolarHBondContact O-N 3.16Å; D107-L109 VanDerWaalsContact C-N 3.31Å; D107-L109 PolarHBondContact O-N 3.49Å; D107-V110 PolarHBondContact O-N 2.9Å; D107-V111 WeakPolarHBondContact O-CG2 3.42Å; D107-V111 PolarHBondContact O-N 2.95Å
108A89.6Confident87.8Confident0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-63.2-36174.100000112.7F57 I75 D104 W105 L106 V111 S112F57-A108 HydrophobicContact CB-CB 3.74Å; F57-A108 HydrophobicContact CD1-CB 3.75Å; F57-A108 HydrophobicContact CD2-CB 4.33Å; F57-A108 HydrophobicContact CE1-CB 4.39Å; F57-A108 HydrophobicContact CG-CB 3.69Å; I75-A108 HydrophobicContact CD1-CB 4.2Å; I75-A108 HydrophobicContact CG1-CB 4.42Å; D104-A108 PolarHBondContact O-N 2.79Å; D104-A108 VanDerWaalsContact O-N 3.11Å; W105-A108 PolarHBondContact O-N 2.89Å; L106-A108 VanDerWaalsContact C-N 3.34Å; A108-V111 PolarHBondContact O-N 3.42Å; A108-S112 WeakPolarHBondContact O-CB 3.37Å; A108-S112 PolarHBondContact O-N 2.98Å; A108-S112 PolarHBondContact O-OG 3.46Å
109L89.4Confident87.7Confident2 Ų235.6 Ų35.61%0.0118%0.182CC..Hα-helixtrans-64.1-43.9173.1178.362.1000111.5W105 L106 D107 S112 M113 I130 I148 L152 L159W105-L109 WeakPolarHBondContact O-CB 3.35Å; W105-L109 PolarHBondContact O-N 3.43Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.38Å; D107-L109 VanDerWaalsContact C-N 3.31Å; D107-L109 PolarHBondContact O-N 3.49Å; L109-S112 WeakPolarHBondContact O-CB 3.45Å; L109-S112 PolarHBondContact O-N 3.42Å; L109-M113 HydrophobicContact CG-SD 4.5Å; L109-M113 WeakPolarHBondContact O-CG 3.46Å; L109-M113 PolarHBondContact O-N 3Å; L109-I130 HydrophobicContact CD1-CD1 4.02Å; L109-I130 HydrophobicContact CD1-CG2 4.01Å; L109-I148 HydrophobicContact CD2-CG2 3.82Å; L109-I148 HydrophobicContact CG-CG2 4.44Å; L109-L152 HydrophobicContact CD2-CD1 4.45Å; L109-L159 HydrophobicContact CD1-CD1 4.35Å; L109-L159 HydrophobicContact CD1-CD2 3.5Å; L109-L159 HydrophobicContact CD2-CD1 4.35Å
110V89.4Confident87.6Confident29 Ų2933.8 Ų33.818%0.17618%0.175CC..Hα-helixtrans-63.6-43176.5173.50000111.4L66 Y72 L106 D107 S112 M113 D114 I148L66-V110 HydrophobicContact CD1-CG1 4.29Å; Y72-V110 HydrophobicContact CE1-CB 3.85Å; Y72-V110 HydrophobicContact CE1-CG1 3.78Å; L106-V110 WeakPolarHBondContact O-CG2 3.49Å; L106-V110 PolarHBondContact O-N 2.84Å; D107-V110 PolarHBondContact O-N 2.9Å; V110-S112 VanDerWaalsContact C-N 3.28Å; V110-S112 PolarHBondContact O-N 2.83Å; V110-M113 PolarHBondContact O-N 3.15Å; V110-D114 PolarHBondContact O-N 2.63Å; V110-I148 HydrophobicContact CG2-CD1 3.82Å; V110-I148 HydrophobicContact CG2-CG1 3.89Å
111V90.1Very high87.3Confident1 Ų135 Ų351%0.00618%0.177CC..Hα-helixtrans-60.2-40.7174.3172.80000111.1V55 N64 L66 Y72 I75 V77 D107 A108 D114 L115V55-V111 HydrophobicContact CG1-CG1 4.5Å; N64-V111 HydrophobicContact CB-CG1 3.92Å; N64-V111 HydrophobicContact CB-CG2 4.36Å; L66-V111 HydrophobicContact CD1-CG2 4.25Å; Y72-V111 HydrophobicContact CD1-CG2 3.82Å; Y72-V111 HydrophobicContact CG-CG2 4.19Å; I75-V111 HydrophobicContact CD1-CG2 4.13Å; I75-V111 HydrophobicContact CG2-CB 4.28Å; I75-V111 HydrophobicContact CG2-CG1 4.04Å; I75-V111 HydrophobicContact CG2-CG2 4.24Å; V77-V111 HydrophobicContact CG2-CG1 4.29Å; D107-V111 WeakPolarHBondContact O-CG2 3.42Å; D107-V111 PolarHBondContact O-N 2.95Å; A108-V111 PolarHBondContact O-N 3.42Å; V111-D114 PolarHBondContact O-N 3.02Å; V111-L115 WeakPolarHBondContact O-CB 3.33Å; V111-L115 PolarHBondContact O-N 3.43Å
112S90.9Very high86.6Confident0 Ų034.8 Ų34.80%020%0.2CC..Hα-helixtrans-64.8-38.7176.9-61.30000112.4A108 L109 V110 L116A108-S112 WeakPolarHBondContact O-CB 3.37Å; A108-S112 PolarHBondContact O-N 2.98Å; A108-S112 PolarHBondContact O-OG 3.46Å; L109-S112 WeakPolarHBondContact O-CB 3.45Å; L109-S112 PolarHBondContact O-N 3.42Å; V110-S112 VanDerWaalsContact C-N 3.28Å; V110-S112 PolarHBondContact O-N 2.83Å; S112-L116 PolarHBondContact O-N 3.32Å; S112-L116 VanDerWaalsContact O-N 3.13Å
113M89.1Confident86.4Confident22 Ų2234.6 Ų34.611%0.10820%0.197CC..Hα-helixtrans-66-44.5175.1-70.3175.168.800112.2L109 V110 L116 Q117 I130 I148 N151 L152 I157L109-M113 HydrophobicContact CG-SD 4.5Å; L109-M113 WeakPolarHBondContact O-CG 3.46Å; L109-M113 PolarHBondContact O-N 3Å; V110-M113 PolarHBondContact O-N 3.15Å; M113-L116 PolarHBondContact O-N 3.4Å; M113-Q117 WeakPolarHBondContact O-CB 3.38Å; M113-Q117 PolarHBondContact O-N 3.4Å; M113-I130 HydrophobicContact CG-CD1 3.79Å; M113-I148 HydrophobicContact SD-CG2 4.15Å; M113-N151 HydrophobicContact CE-CB 3.56Å; M113-L152 HydrophobicContact CE-CD2 3.79Å; M113-L152 HydrophobicContact CE-CG 3.76Å; M113-L152 HydrophobicContact CG-CD2 3.97Å; M113-L152 HydrophobicContact SD-CD2 3.57Å; M113-L152 VanDerWaalsContact SD-CD2 3.57Å; M113-L152 HydrophobicContact SD-CG 3.77Å; M113-I157 HydrophobicContact CE-CD1 4.47Å; M113-I157 HydrophobicContact CG-CD1 4.15Å
114D89.8Confident86Confident42 Ų4243.3 Ų43.323%0.22523%0.234CC..Hα-helixtrans-63.3-42.3177.7179.669.6000111.9L66 V110 V111 L116 Q117 T118L66-D114 HydrophobicContact CD1-CB 3.71Å; L66-D114 HydrophobicContact CG-CB 4.3Å; V110-D114 PolarHBondContact O-N 2.63Å; V111-D114 PolarHBondContact O-N 3.02Å; D114-L116 PolarHBondContact O-N 2.86Å; D114-Q117 PolarHBondContact O-N 3.47Å; D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 2.86Å; D114-T118 PolarHBondContact O-OG1 3.5Å
115L88.8Confident85.5Confident6 Ų643 Ų433%0.03123%0.233CC..Hα-helixtrans-58.8-47.8175.8-172.868.7000111.3V9 A53 V55 V77 V111 T118 E119V9-L115 HydrophobicContact CG2-CD2 4.43Å; A53-L115 HydrophobicContact CB-CD2 3.63Å; V55-L115 HydrophobicContact CG2-CD2 3.93Å; V77-L115 HydrophobicContact CG1-CD1 4.27Å; V77-L115 HydrophobicContact CG1-CD2 4.07Å; V111-L115 WeakPolarHBondContact O-CB 3.33Å; V111-L115 PolarHBondContact O-N 3.43Å; L115-T118 PolarHBondContact O-N 2.96Å; L115-E119 VanDerWaalsContact CD1-CD 3.45Å; L115-E119 HydrophobicContact CD1-CG 4.08Å; L115-E119 VanDerWaalsContact CD1-OE1 3.28Å; L115-E119 WeakPolarHBondContact CD1-OE1 3.29Å; L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 WeakPolarHBondContact O-CG 3.41Å; L115-E119 PolarHBondContact O-N 2.93Å
116L87.8Confident84.8Confident3 Ų348.2 Ų48.22%0.01626%0.261CS..Hα-helixtrans-60.2-47.6175.1-77.8174.2000111.2A7 V9 S112 M113 D114 T118 T120 F128 I130 I157A7-L116 HydrophobicContact CB-CD2 3.85Å; V9-L116 HydrophobicContact CG2-CD1 3.94Å; V9-L116 HydrophobicContact CG2-CD2 3.69Å; V9-L116 HydrophobicContact CG2-CG 3.48Å; V9-L116 VanDerWaalsContact CG2-CG 3.48Å; S112-L116 PolarHBondContact O-N 3.32Å; S112-L116 VanDerWaalsContact O-N 3.13Å; M113-L116 PolarHBondContact O-N 3.4Å; D114-L116 PolarHBondContact O-N 2.86Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-T118 PolarHBondContact O-N 3.23Å; L116-T120 HydrophobicContact CD2-CG2 4.45Å; L116-T120 WeakPolarHBondContact O-CB 3.34Å; L116-T120 WeakPolarHBondContact O-CG2 3.28Å; L116-T120 PolarHBondContact O-N 3.43Å; L116-T120 VanDerWaalsContact O-N 3.09Å; L116-T120 PolarHBondContact O-OG1 3Å; L116-F128 HydrophobicContact CD1-CB 4.38Å; L116-F128 HydrophobicContact CD2-CD1 4.37Å; L116-I130 HydrophobicContact CD1-CD1 3.92Å; L116-I130 HydrophobicContact CD1-CG1 3.56Å; L116-I157 HydrophobicContact CD1-CD1 4.36Å; L116-I157 HydrophobicContact CD1-CG2 4.48Å
117Q86.2Confident84.4Confident111 Ų11152.5 Ų52.552%0.51928%0.277SS..Hα-helixtrans-65.9-37.6-176.7-172.5174-9.800112.4M113 D114 Q121M113-Q117 WeakPolarHBondContact O-CB 3.38Å; M113-Q117 PolarHBondContact O-N 3.4Å; D114-Q117 PolarHBondContact O-N 3.47Å; Q117-Q121 VanDerWaalsContact O-CG 3.23Å; Q117-Q121 WeakPolarHBondContact O-CG 3.22Å; Q117-Q121 PolarHBondContact O-NE2 3.19Å
118T86.9Confident84.3Confident74 Ų7453.5 Ų53.545%0.45428%0.28SS..Hα-helixtrans-76.9-44.7-178-61.80000111.6D114 L115 L116D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 2.86Å; D114-T118 PolarHBondContact O-OG1 3.5Å; L115-T118 PolarHBondContact O-N 2.96Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-T118 PolarHBondContact O-N 3.23Å
119E84.9Confident84.3Confident43 Ų4354 Ų5420%0.20128%0.283CS..Hα-helixtrans-85.8-13.3-173.2-62.3-168.6167.700114.1H80 L81 L115 K123H80-E119 IonicContact CE1-OE1 2.61Å; H80-E119 IonicContact CG-OE1 3Å; H80-E119 IonicContact ND1-OE1 3.23Å; H80-E119 PolarHBondContact ND1-OE1 3.22Å; L81-E119 WeakPolarHBondContact CA-OE2 3.26Å; L81-E119 HydrophobicContact CB-CB 4.18Å; L81-E119 WeakPolarHBondContact CB-OE2 3.28Å; L81-E119 HydrophobicContact CD2-CB 4.2Å; L81-E119 PolarHBondContact N-OE2 2.88Å; L115-E119 VanDerWaalsContact CD1-CD 3.45Å; L115-E119 HydrophobicContact CD1-CG 4.08Å; L115-E119 VanDerWaalsContact CD1-OE1 3.28Å; L115-E119 WeakPolarHBondContact CD1-OE1 3.29Å; L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 WeakPolarHBondContact O-CG 3.41Å; L115-E119 PolarHBondContact O-N 2.93Å; E119-K123 WeakPolarHBondContact O-CD 3.26Å; E119-K123 VanDerWaalsContact O-CE 3.3Å; E119-K123 WeakPolarHBondContact O-CE 3.27Å; E119-K123 PolarHBondContact O-NZ 2.81Å
120T83.7Confident84.3Confident17 Ų1753.9 Ų53.910%0.10428%0.282CS..SBendtrans-95.7-7.2174.969.20000112.7A7 L81 L116 G122 K123 F128A7-T120 HydrophobicContact CB-CG2 3.96Å; L81-T120 HydrophobicContact CD2-CG2 3.71Å; L116-T120 HydrophobicContact CD2-CG2 4.45Å; L116-T120 WeakPolarHBondContact O-CB 3.34Å; L116-T120 WeakPolarHBondContact O-CG2 3.28Å; L116-T120 PolarHBondContact O-N 3.43Å; L116-T120 VanDerWaalsContact O-N 3.09Å; L116-T120 PolarHBondContact O-OG1 3Å; T120-G122 PolarHBondContact O-N 3.47Å; T120-K123 PolarHBondContact O-N 2.88Å; T120-F128 HydrophobicContact CG2-CD1 4.19Å; T120-F128 HydrophobicContact CG2-CE1 3.57Å
121Q79.4Confident84.3Confident139 Ų13952.5 Ų52.565%0.6527%0.274SS*.THydrogen-bonded Turntrans-57.8111.1171.6-87.5166.944.400110.7Q117Q117-Q121 VanDerWaalsContact O-CG 3.23Å; Q117-Q121 WeakPolarHBondContact O-CG 3.22Å; Q117-Q121 PolarHBondContact O-NE2 3.19Å
122G71.9Confident84.3Confident89 Ų8952.5 Ų52.592%0.91827%0.274SS*.THydrogen-bonded Turntrans91.3-6.2-178.500000115.3T120T120-G122 PolarHBondContact O-N 3.47Å
123K80.8Confident84.4Confident85 Ų8552.5 Ų52.537%0.3727%0.274SS..SBendtrans-92144.5171.4-63.9-176.7-176.1170.60110.5E51 E119 T120 C125E51-K123 VanDerWaalsContact OE2-CD 3.29Å; E51-K123 WeakPolarHBondContact OE2-CD 3.28Å; E51-K123 WeakPolarHBondContact OE2-CE 2.91Å; E51-K123 IonicContact OE2-NZ 3.88Å; E51-K123 PolarHBondContact OE2-NZ 3.5Å; E119-K123 WeakPolarHBondContact O-CD 3.26Å; E119-K123 VanDerWaalsContact O-CE 3.3Å; E119-K123 WeakPolarHBondContact O-CE 3.27Å; E119-K123 PolarHBondContact O-NZ 2.81Å; T120-K123 PolarHBondContact O-N 2.88Å; K123-C125 PolarHBondContact O-N 3.42Å
124K75.9Confident84.4Confident191 Ų19151.5 Ų51.583%0.8327%0.27SS*.  trans-8690.4170.6-74.1-172.9178-176.90109.3
125C77Confident84.3Confident17 Ų1749.9 Ų49.912%0.11526%0.261CS..  trans-111.6130.6170.5-62.90000108.8K5 A7 K123 F128K5-C125 CarbonylContact O-C 3.55Å; K5-C125 WeakPolarHBondContact O-CA 3.39Å; A7-C125 HydrophobicContact CB-CB 4.43Å; K123-C125 PolarHBondContact O-N 3.42Å; C125-F128 HydrophobicContact CB-CE1 3.71Å; C125-F128 HydrophobicContact CB-CZ 4.02Å
126D73.4Confident84.1Confident112 Ų11249.7 Ų49.760%0.59926%0.26SS*.SBendtrans-93.4-18.7-176.3-66-24.9000112.1S4 K5S4-D126 WeakPolarHBondContact CA-OD2 3.48Å; S4-D126 WeakPolarHBondContact CB-OD2 3.4Å; K5-D126 PolarHBondContact O-N 2.93Å
127R79.6Confident83.8Confident91 Ų9150.8 Ų50.834%0.34327%0.268SS..EExtended strand (participates in β ladder)trans-143.4137.5-175.3-73.1-177.9143.7175.2-12.9111S6 A7 R233S6-R127 WeakPolarHBondContact CA-O 3.45Å; A7-R127 PolarHBondContact N-O 3.27Å; R127-R233 PolarHBondContact NH1-O 2.83Å
128F86.6Confident83.5Confident49 Ų4946.4 Ų46.422%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-120.2125.7174.6-55.9-68.9000108.7A7 L116 T120 C125 I157 T158A7-F128 HydrophobicContact CB-CD1 3.98Å; A7-F128 HydrophobicContact CB-CE1 4.28Å; A7-F128 WeakPolarHBondContact O-CA 3.43Å; L116-F128 HydrophobicContact CD1-CB 4.38Å; L116-F128 HydrophobicContact CD2-CD1 4.37Å; T120-F128 HydrophobicContact CG2-CD1 4.19Å; T120-F128 HydrophobicContact CG2-CE1 3.57Å; C125-F128 HydrophobicContact CB-CE1 3.71Å; C125-F128 HydrophobicContact CB-CZ 4.02Å; F128-I157 HydrophobicContact CB-CB 4.39Å; F128-I157 HydrophobicContact CB-CG1 3.8Å; F128-T158 PolarHBondContact O-N 2.88Å; F128-T158 PolarHBondContact O-OG1 3.09Å
129N88.1Confident82.9Confident10 Ų1050.4 Ų50.45%0.05326%0.262CS..EExtended strand (participates in β ladder)trans-132.9140.2178.7-173.638.4000109.7A7 L8 V9 T158 Q160A7-N129 PolarHBondContact O-N 3.11Å; A7-N129 VanDerWaalsContact O-N 3.07Å; L8-N129 WeakPolarHBondContact CA-O 3.4Å; L8-N129 HydrophobicContact CD1-CB 3.54Å; L8-N129 VanDerWaalsContact CD1-ND2 3.28Å; L8-N129 WeakPolarHBondContact CD1-ND2 3.28Å; L8-N129 WeakPolarHBondContact CD1-O 3.33Å; V9-N129 PolarHBondContact N-O 2.81Å; V9-N129 VanDerWaalsContact N-O 3.09Å; N129-T158 CarbonylContact C-O 3.54Å; N129-T158 WeakPolarHBondContact CA-O 3.39Å; N129-T158 WeakPolarHBondContact CA-OG1 3.07Å; N129-T158 VanDerWaalsContact CB-OG1 3.29Å; N129-T158 WeakPolarHBondContact CB-OG1 3.35Å; N129-T158 PolarHBondContact OD1-O 3.15Å; N129-T158 PolarHBondContact OD1-OG1 2.93Å; N129-Q160 PolarHBondContact ND2-OE1 3Å
130I90.3Very high82.4Confident0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-121.3132173.5-62.2173.5000107.5V9 L109 M113 L116 I157 T158 L159 Q160V9-I130 HydrophobicContact CB-CG1 4.38Å; L109-I130 HydrophobicContact CD1-CD1 4.02Å; L109-I130 HydrophobicContact CD1-CG2 4.01Å; M113-I130 HydrophobicContact CG-CD1 3.79Å; L116-I130 HydrophobicContact CD1-CD1 3.92Å; L116-I130 HydrophobicContact CD1-CG1 3.56Å; I130-I157 HydrophobicContact CB-CG2 4.42Å; I130-I157 HydrophobicContact CD1-CG2 3.69Å; I130-I157 HydrophobicContact CG1-CG2 3.74Å; I130-T158 PolarHBondContact N-O 3.32Å; I130-L159 HydrophobicContact CB-CD2 3.59Å; I130-L159 HydrophobicContact CD1-CD2 4.45Å; I130-L159 HydrophobicContact CG2-CD2 3.82Å; I130-L159 WeakPolarHBondContact O-CA 3.44Å; I130-Q160 PolarHBondContact O-N 3.32Å
131V89.8Confident82Confident1 Ų150.8 Ų50.81%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-117.6118.5-178.7167.50000107.9L8 V9 L10 C11 L133 Q160 F162 M230L8-V131 HydrophobicContact CD1-CG2 3.89Å; V9-V131 PolarHBondContact O-N 3.36Å; L10-V131 HydrophobicContact CD2-CB 3.79Å; L10-V131 HydrophobicContact CD2-CG1 3.9Å; L10-V131 HydrophobicContact CD2-CG2 4.25Å; C11-V131 PolarHBondContact N-O 3.27Å; V131-L133 HydrophobicContact CG1-CD1 3.78Å; V131-Q160 HydrophobicContact CG2-CB 4.28Å; V131-F162 HydrophobicContact CG1-CD2 3.72Å; V131-F162 HydrophobicContact CG1-CE2 3.62Å; V131-M230 HydrophobicContact CG1-CE 3.57Å; V131-M230 HydrophobicContact CG1-SD 4.42Å
132L90.5Very high81.8Confident1 Ų147.6 Ų47.61%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-107.6127.3179.8-166.876.8000110.5C11 F57 W105 T134 Q160 F161 F162C11-L132 HydrophobicContact CB-CD1 3.66Å; C11-L132 WeakPolarHBondContact O-CA 2.99Å; C11-L132 VanDerWaalsContact SG-CD1 3.5Å; F57-L132 HydrophobicContact CE1-CD1 3.75Å; F57-L132 HydrophobicContact CZ-CD1 4.11Å; W105-L132 HydrophobicContact CB-CD2 4.31Å; W105-L132 HydrophobicContact CD2-CD2 4.32Å; W105-L132 HydrophobicContact CE3-CD2 3.72Å; W105-L132 HydrophobicContact CZ3-CD2 4.45Å; L132-T134 HydrophobicContact CD2-CG2 3.88Å; L132-T134 HydrophobicContact CG-CG2 4.21Å; L132-Q160 PolarHBondContact N-O 3.38Å; L132-F161 HydrophobicContact CB-CD1 4.2Å; L132-F161 HydrophobicContact CB-CE1 4.22Å; L132-F161 HydrophobicContact CD2-CD1 3.75Å; L132-F161 HydrophobicContact CD2-CE1 3.27Å; L132-F161 HydrophobicContact CD2-CZ 4.1Å; L132-F161 HydrophobicContact CG-CE1 4.35Å; L132-F162 PolarHBondContact O-N 3.21Å
133L91Very high82Confident0 Ų050.6 Ų50.60%026%0.259CS..EExtended strand (participates in β ladder)trans-117.2112.2175.2-5992.4000109.1C11 D13 A32 V35 I36 V131 F162 F221 M230C11-L133 PolarHBondContact O-N 3.11Å; D13-L133 VanDerWaalsContact CB-O 3.26Å; D13-L133 WeakPolarHBondContact CB-O 3.47Å; D13-L133 PolarHBondContact N-O 3.04Å; A32-L133 HydrophobicContact CB-CB 4.14Å; A32-L133 HydrophobicContact CB-CD2 3.77Å; V35-L133 HydrophobicContact CB-CD2 4.31Å; V35-L133 HydrophobicContact CG1-CD2 4.33Å; I36-L133 HydrophobicContact CD1-CD1 3.9Å; I36-L133 HydrophobicContact CD1-CD2 4.04Å; I36-L133 HydrophobicContact CG1-CD1 3.97Å; I36-L133 HydrophobicContact CG1-CD2 3.78Å; V131-L133 HydrophobicContact CG1-CD1 3.78Å; L133-F162 HydrophobicContact CD2-CB 4.44Å; L133-F162 HydrophobicContact CG-CB 4.05Å; L133-F162 HydrophobicContact CG-CD2 4.42Å; L133-F162 HydrophobicContact CG-CG 4.49Å; L133-F221 HydrophobicContact CB-CE1 3.91Å; L133-F221 HydrophobicContact CB-CZ 4.33Å; L133-F221 HydrophobicContact CD2-CD1 4.47Å; L133-F221 HydrophobicContact CD2-CE1 3.93Å; L133-F221 HydrophobicContact CG-CE1 4.23Å; L133-M230 HydrophobicContact CD1-CE 4.4Å; L133-M230 HydrophobicContact CD2-CE 4.07Å; L133-M230 HydrophobicContact CG-CE 4.36Å
134T89.8Confident81.8Confident1 Ų150 Ų501%0.00626%0.257CS..  trans-156.6160.9-176.3-1770000111.9D13 L132 L136 F162 L163 P164D13-T134 PolarHBondContact OD2-OG1 2.59Å; L132-T134 HydrophobicContact CD2-CG2 3.88Å; L132-T134 HydrophobicContact CG-CG2 4.21Å; T134-L136 HydrophobicContact CG2-CD2 3.6Å; T134-L136 HydrophobicContact CG2-CG 3.95Å; T134-L136 PolarHBondContact OG1-N 3.35Å; T134-F162 PolarHBondContact N-O 3.43Å; T134-L163 HydrophobicContact CG2-CD2 4.2Å; T134-L163 WeakPolarHBondContact O-CD2 3.46Å; T134-P164 WeakPolarHBondContact O-CD 3.25Å
135D87.4Confident82.1Confident8 Ų841.7 Ų41.74%0.04322%0.222CC..  trans-95.40.9172.766.75.4000113.6S17 M18 S137 P164 Q195S17-D135 VanDerWaalsContact CB-OD2 3.22Å; S17-D135 WeakPolarHBondContact CB-OD2 3.37Å; S17-D135 PolarHBondContact OG-OD2 3.07Å; M18-D135 PolarHBondContact N-OD2 3.13Å; M18-D135 HydrophobicContact SD-CB 3.55Å; M18-D135 VanDerWaalsContact SD-CB 3.55Å; M18-D135 PolarHBondContact SD-N 3.13Å; D135-S137 PolarHBondContact O-N 2.84Å; D135-S137 VanDerWaalsContact O-N 3.13Å; D135-S137 VanDerWaalsContact OD1-CB 3.28Å; D135-S137 WeakPolarHBondContact OD1-CB 3.43Å; D135-S137 PolarHBondContact OD1-N 3.48Å; D135-S137 PolarHBondContact OD1-OG 2.78Å; D135-S137 PolarHBondContact OD2-OG 3.47Å; D135-P164 HydrophobicContact CB-CG 3.95Å; D135-Q195 WeakPolarHBondContact O-CG 3.39Å; D135-Q195 PolarHBondContact O-NE2 2.97Å
136L85.3Confident82.4Confident1 Ų146.8 Ų46.81%0.00525%0.248CC..  trans52.926.7-178.2-61.6174.3000114.3W105 T134 T138 L163 F165 Q195 L199 V202W105-L136 HydrophobicContact CD2-CD2 4.38Å; W105-L136 HydrophobicContact CG-CD2 4.46Å; T134-L136 HydrophobicContact CG2-CD2 3.6Å; T134-L136 HydrophobicContact CG2-CG 3.95Å; T134-L136 PolarHBondContact OG1-N 3.35Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 2.77Å; L136-L163 HydrophobicContact CD1-CD1 3.97Å; L136-L163 HydrophobicContact CD1-CD2 3.51Å; L136-L163 HydrophobicContact CD1-CG 4.41Å; L136-L163 HydrophobicContact CD2-CD2 4.45Å; L136-L163 HydrophobicContact CG-CD2 3.64Å; L136-F165 HydrophobicContact CB-CZ 4.45Å; L136-F165 HydrophobicContact CD1-CZ 4.2Å; L136-Q195 WeakPolarHBondContact O-CA 3.49Å; L136-Q195 PolarHBondContact O-N 2.95Å; L136-L199 HydrophobicContact CD1-CB 4.41Å; L136-V202 HydrophobicContact CD1-CG2 4.23Å; L136-V202 HydrophobicContact CD2-CG2 4.23Å
137S80.8Confident83Confident26 Ų2645.6 Ų45.618%0.18224%0.244CC..  trans-80.9-8.5-178.260.60000114.4S17 D135S17-S137 WeakPolarHBondContact CB-OG 3.16Å; S17-S137 PolarHBondContact OG-OG 3.08Å; D135-S137 PolarHBondContact O-N 2.84Å; D135-S137 VanDerWaalsContact O-N 3.13Å; D135-S137 VanDerWaalsContact OD1-CB 3.28Å; D135-S137 WeakPolarHBondContact OD1-CB 3.43Å; D135-S137 PolarHBondContact OD1-N 3.48Å; D135-S137 PolarHBondContact OD1-OG 2.78Å; D135-S137 PolarHBondContact OD2-OG 3.47Å
138T79.4Confident83.3Confident19 Ų1941.7 Ų41.712%0.11723%0.23CC..SBendtrans-97.2140.3-177.5-490000111.1Q102 L136 A140Q102-T138 HydrophobicContact CB-CG2 4.07Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 2.77Å; T138-A140 PolarHBondContact O-N 2.92Å
139E74.4Confident83.3Confident158 Ų15839.9 Ų39.974%0.73822%0.222SC*.  trans-65.1128.6172.7-70.2-173.3168.500110.6E194E139-E194 HydrophobicContact CG-CG 4.11Å
140A75.1Confident83.2Confident21 Ų2146 Ų4617%0.17425%0.251CS..  trans-113.1142.8-178.700000111.5D104 W105 L106 T138 S142 M201D104-A140 WeakPolarHBondContact OD1-CB 3.4Å; W105-A140 HydrophobicContact CZ2-CB 4.33Å; W105-A140 VanDerWaalsContact NE1-CB 3.25Å; L106-A140 HydrophobicContact CD1-CB 3.89Å; L106-A140 HydrophobicContact CG-CB 4.28Å; T138-A140 PolarHBondContact O-N 2.92Å; A140-S142 PolarHBondContact O-N 2.94Å; A140-M201 HydrophobicContact CB-CE 4.3Å; A140-M201 HydrophobicContact CB-SD 4.39Å
141S76Confident83.1Confident48 Ų4848.7 Ų48.734%0.33627%0.265SS..  trans-80.9114.3-177.758.50000112.2D104 L106 D143D104-S141 PolarHBondContact OD2-N 2.87Å; D104-S141 PolarHBondContact OD2-OG 3.21Å; L106-S141 WeakPolarHBondContact CD1-O 3.39Å; S141-D143 VanDerWaalsContact C-N 3.32Å; S141-D143 PolarHBondContact O-N 3.02Å
142S75.3Confident82.9Confident71 Ų7148.6 Ų48.650%0.49727%0.265SS..G310 helixtrans-76.8-16-17858.20000114.4A140 K144 L145A140-S142 PolarHBondContact O-N 2.94Å; S142-K144 PolarHBondContact O-N 2.94Å; S142-L145 WeakPolarHBondContact O-CG 3.35Å; S142-L145 PolarHBondContact O-N 2.96Å; S142-L145 VanDerWaalsContact O-N 3.16Å
143D76Confident82.7Confident152 Ų15254.2 Ų54.281%0.81329%0.289SS*.G310 helixtrans-59.3-20.4-170.5-66.7-18.7000114.8S141S141-D143 VanDerWaalsContact C-N 3.32Å; S141-D143 PolarHBondContact O-N 3.02Å
144K75.3Confident82.5Confident74 Ų7463.3 Ų63.332%0.32232%0.323SS..G310 helixtrans-113.94.5-176.7-63.2178.5-175.5170.20114.2S142 D146 V147 I148S142-K144 PolarHBondContact O-N 2.94Å; K144-D146 PolarHBondContact O-N 2.96Å; K144-V147 PolarHBondContact O-N 2.91Å; K144-I148 HydrophobicContact CB-CD1 4.24Å; K144-I148 VanDerWaalsContact O-CG1 3.31Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 3.32Å
145L82Confident82.2Confident16 Ų1665.3 Ų65.38%0.08434%0.34CS..Hα-helixtrans-57.4-49.2-173-77169.9000113.5L106 S142 V147 I148 I149 M201 I205L106-L145 HydrophobicContact CD1-CD2 3.72Å; L106-L145 HydrophobicContact CD1-CG 4.27Å; L106-L145 HydrophobicContact CD2-CD2 3.6Å; L106-L145 HydrophobicContact CG-CD2 4.35Å; S142-L145 WeakPolarHBondContact O-CG 3.35Å; S142-L145 PolarHBondContact O-N 2.96Å; S142-L145 VanDerWaalsContact O-N 3.16Å; L145-V147 VanDerWaalsContact C-N 3.28Å; L145-V147 PolarHBondContact O-N 3.39Å; L145-I148 PolarHBondContact O-N 2.88Å; L145-I148 VanDerWaalsContact O-N 3.11Å; L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 3.07Å; L145-M201 HydrophobicContact CD1-CG 3.97Å; L145-M201 HydrophobicContact CD1-SD 3.9Å; L145-I205 HydrophobicContact CD2-CD1 3.82Å; L145-I205 HydrophobicContact CD2-CG1 4.19Å
146D84.6Confident82Confident124 Ų12467.3 Ų67.366%0.66336%0.362SS*.Hα-helixtrans-60.6-40.3-177.9-64.6-31.7000111.8K144 I148 I149 E150K144-D146 PolarHBondContact O-N 2.96Å; D146-I148 VanDerWaalsContact C-N 3.35Å; D146-I148 PolarHBondContact O-N 2.9Å; D146-I149 PolarHBondContact O-N 3.42Å; D146-E150 WeakPolarHBondContact O-CG 3.27Å; D146-E150 PolarHBondContact O-N 3.23Å
147V86.8Confident82Confident86 Ų8667.9 Ų67.952%0.52137%0.365SS..Hα-helixtrans-66.8-38.3178.4-179.50000110.9K144 L145 N151K144-V147 PolarHBondContact O-N 2.91Å; L145-V147 VanDerWaalsContact C-N 3.28Å; L145-V147 PolarHBondContact O-N 3.39Å; V147-N151 WeakPolarHBondContact O-CB 3.31Å; V147-N151 VanDerWaalsContact O-CG 3.3Å; V147-N151 PolarHBondContact O-N 3.24Å; V147-N151 VanDerWaalsContact O-N 3.07Å; V147-N151 PolarHBondContact O-ND2 2.54Å
148I85.5Confident82.3Confident9 Ų968.2 Ų68.25%0.04637%0.366CS..Hα-helixtrans-65.6-46.5176.6-66.4165.2000110L106 L109 V110 M113 K144 L145 D146 E150 N151 L152L106-I148 HydrophobicContact CB-CD1 4.44Å; L106-I148 HydrophobicContact CD2-CD1 4.26Å; L109-I148 HydrophobicContact CD2-CG2 3.82Å; L109-I148 HydrophobicContact CG-CG2 4.44Å; V110-I148 HydrophobicContact CG2-CD1 3.82Å; V110-I148 HydrophobicContact CG2-CG1 3.89Å; M113-I148 HydrophobicContact SD-CG2 4.15Å; K144-I148 HydrophobicContact CB-CD1 4.24Å; K144-I148 VanDerWaalsContact O-CG1 3.31Å; K144-I148 WeakPolarHBondContact O-CG1 3.49Å; K144-I148 PolarHBondContact O-N 3.32Å; L145-I148 PolarHBondContact O-N 2.88Å; L145-I148 VanDerWaalsContact O-N 3.11Å; D146-I148 VanDerWaalsContact C-N 3.35Å; D146-I148 PolarHBondContact O-N 2.9Å; I148-E150 PolarHBondContact O-N 3.45Å; I148-N151 PolarHBondContact O-N 3.2Å; I148-L152 HydrophobicContact CG2-CD1 3.74Å; I148-L152 HydrophobicContact CG2-CG 4.29Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.29Å
149I85.8Confident82.6Confident11 Ų1167.4 Ų67.46%0.05636%0.361CS..Hα-helixtrans-60.5-46.8178.8-66.1166.4000111L145 D146 N151 L152 K153 I205L145-I149 WeakPolarHBondContact O-CG1 3.42Å; L145-I149 PolarHBondContact O-N 3.07Å; D146-I149 PolarHBondContact O-N 3.42Å; I149-N151 VanDerWaalsContact C-N 3.32Å; I149-N151 PolarHBondContact O-N 3.21Å; I149-L152 PolarHBondContact O-N 3.07Å; I149-K153 HydrophobicContact CG2-CD 4.4Å; I149-K153 WeakPolarHBondContact O-CG 3.03Å; I149-K153 PolarHBondContact O-N 2.88Å; I149-I205 HydrophobicContact CD1-CG1 4.13Å; I149-I205 HydrophobicContact CG1-CG1 4.18Å; I149-I205 HydrophobicContact CG1-CG2 4.25Å
150E86.6Confident83.2Confident140 Ų14059.9 Ų59.965%0.65433%0.326SS*.Hα-helixtrans-60.7-41.9177-76.2-169.8165.900112.2D146 I148 K153 R154D146-E150 WeakPolarHBondContact O-CG 3.27Å; D146-E150 PolarHBondContact O-N 3.23Å; I148-E150 PolarHBondContact O-N 3.45Å; E150-K153 PolarHBondContact O-N 3.07Å; E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.49Å
151N86.9Confident83.8Confident55 Ų5558.9 Ų58.929%0.29432%0.318SS..Hα-helixtrans-68.1-38.4178.5-76.8-44.8000112.4M113 V147 I148 I149 R154 A155M113-N151 HydrophobicContact CE-CB 3.56Å; V147-N151 WeakPolarHBondContact O-CB 3.31Å; V147-N151 VanDerWaalsContact O-CG 3.3Å; V147-N151 PolarHBondContact O-N 3.24Å; V147-N151 VanDerWaalsContact O-N 3.07Å; V147-N151 PolarHBondContact O-ND2 2.54Å; I148-N151 PolarHBondContact O-N 3.2Å; I149-N151 VanDerWaalsContact C-N 3.32Å; I149-N151 PolarHBondContact O-N 3.21Å; N151-R154 PolarHBondContact O-N 3.47Å; N151-A155 VanDerWaalsContact O-CB 3.25Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 2.93Å
152L86.4Confident84.3Confident0 Ų056.6 Ų56.60%030%0.302CS..Hα-helixtrans-61.9-46.6174.5-73.4164000111.3L109 M113 I148 I149 R154 A155 G156 I157 L159 I205 L209L109-L152 HydrophobicContact CD2-CD1 4.45Å; M113-L152 HydrophobicContact CE-CD2 3.79Å; M113-L152 HydrophobicContact CE-CG 3.76Å; M113-L152 HydrophobicContact CG-CD2 3.97Å; M113-L152 HydrophobicContact SD-CD2 3.57Å; M113-L152 VanDerWaalsContact SD-CD2 3.57Å; M113-L152 HydrophobicContact SD-CG 3.77Å; I148-L152 HydrophobicContact CG2-CD1 3.74Å; I148-L152 HydrophobicContact CG2-CG 4.29Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.29Å; I149-L152 PolarHBondContact O-N 3.07Å; L152-R154 PolarHBondContact O-N 3.11Å; L152-A155 PolarHBondContact O-N 3.28Å; L152-G156 PolarHBondContact O-N 3.41Å; L152-I157 HydrophobicContact CD2-CB 3.93Å; L152-I157 HydrophobicContact CD2-CD1 4.4Å; L152-I157 HydrophobicContact CD2-CG2 3.94Å; L152-I157 PolarHBondContact O-N 2.87Å; L152-I157 VanDerWaalsContact O-N 3.14Å; L152-L159 HydrophobicContact CD1-CD1 3.52Å; L152-L159 HydrophobicContact CD2-CD1 4.16Å; L152-L159 HydrophobicContact CD2-CG 4.34Å; L152-L159 HydrophobicContact CG-CD1 4.47Å; L152-I205 HydrophobicContact CD1-CG2 4.5Å; L152-L209 HydrophobicContact CB-CD2 3.86Å; L152-L209 HydrophobicContact CD1-CD1 4.23Å
153K86.6Confident84.9Confident118 Ų11853.2 Ų53.251%0.51328%0.278SS..Hα-helixtrans-60.3-45.8175.1-71.9-177.2178.7-175.90111.9I149 E150 A155 G156 S208 L209I149-K153 HydrophobicContact CG2-CD 4.4Å; I149-K153 WeakPolarHBondContact O-CG 3.03Å; I149-K153 PolarHBondContact O-N 2.88Å; E150-K153 PolarHBondContact O-N 3.07Å; K153-A155 VanDerWaalsContact C-N 3.34Å; K153-A155 PolarHBondContact O-N 3.32Å; K153-G156 PolarHBondContact O-N 3.24Å; K153-S208 WeakPolarHBondContact CE-O 3.26Å; K153-S208 PolarHBondContact NZ-O 3.39Å; K153-L209 HydrophobicContact CG-CD2 3.73Å
154R86.8Confident85.3Confident191 Ų19148 Ų4872%0.72125%0.253SS*.Hα-helixtrans-65.3-38-179.5-167.7-178.177.5-168.9-0.4112.2E150 N151 L152 G156E150-R154 WeakPolarHBondContact O-CB 3.36Å; E150-R154 PolarHBondContact O-N 3.49Å; N151-R154 PolarHBondContact O-N 3.47Å; L152-R154 PolarHBondContact O-N 3.11Å; R154-G156 VanDerWaalsContact C-N 3.31Å
155A82.8Confident85.5Confident43 Ų4345.7 Ų45.736%0.35524%0.242SC..Hα-helixtrans-80-13.3178.300000113.1N151 L152 K153 I157N151-A155 VanDerWaalsContact O-CB 3.25Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 2.93Å; L152-A155 PolarHBondContact O-N 3.28Å; K153-A155 VanDerWaalsContact C-N 3.34Å; K153-A155 PolarHBondContact O-N 3.32Å; A155-I157 VanDerWaalsContact C-N 3.27Å; A155-I157 HydrophobicContact CB-CD1 3.61Å; A155-I157 HydrophobicContact CB-CG1 3.69Å; A155-I157 PolarHBondContact O-N 2.99Å
156G82.9Confident85.3Confident50 Ų5047.9 Ų47.952%0.51526%0.258SS..THydrogen-bonded Turntrans64.132.8-17600000112.7L152 K153 R154L152-G156 PolarHBondContact O-N 3.41Å; K153-G156 PolarHBondContact O-N 3.24Å; R154-G156 VanDerWaalsContact C-N 3.31Å
157I86.1Confident84.5Confident14 Ų1443.9 Ų43.97%0.07224%0.238CC..EExtended strand (participates in β ladder)trans-85.5130.9180-62.2168.8000108.9M113 L116 F128 I130 L152 A155M113-I157 HydrophobicContact CE-CD1 4.47Å; M113-I157 HydrophobicContact CG-CD1 4.15Å; L116-I157 HydrophobicContact CD1-CD1 4.36Å; L116-I157 HydrophobicContact CD1-CG2 4.48Å; F128-I157 HydrophobicContact CB-CB 4.39Å; F128-I157 HydrophobicContact CB-CG1 3.8Å; I130-I157 HydrophobicContact CB-CG2 4.42Å; I130-I157 HydrophobicContact CD1-CG2 3.69Å; I130-I157 HydrophobicContact CG1-CG2 3.74Å; L152-I157 HydrophobicContact CD2-CB 3.93Å; L152-I157 HydrophobicContact CD2-CD1 4.4Å; L152-I157 HydrophobicContact CD2-CG2 3.94Å; L152-I157 PolarHBondContact O-N 2.87Å; L152-I157 VanDerWaalsContact O-N 3.14Å; A155-I157 VanDerWaalsContact C-N 3.27Å; A155-I157 HydrophobicContact CB-CD1 3.61Å; A155-I157 HydrophobicContact CB-CG1 3.69Å; A155-I157 PolarHBondContact O-N 2.99Å
158T86.5Confident83.4Confident33 Ų3347 Ų4720%0.20225%0.247CC..EExtended strand (participates in β ladder)trans-92.6148.9174.465.50000110.5F128 N129 I130 R233F128-T158 PolarHBondContact O-N 2.88Å; F128-T158 PolarHBondContact O-OG1 3.09Å; N129-T158 CarbonylContact C-O 3.54Å; N129-T158 WeakPolarHBondContact CA-O 3.39Å; N129-T158 WeakPolarHBondContact CA-OG1 3.07Å; N129-T158 VanDerWaalsContact CB-OG1 3.29Å; N129-T158 WeakPolarHBondContact CB-OG1 3.35Å; N129-T158 PolarHBondContact OD1-O 3.15Å; N129-T158 PolarHBondContact OD1-OG1 2.93Å; I130-T158 PolarHBondContact N-O 3.32Å; T158-R233 VanDerWaalsContact CB-NH1 3.3Å
159L86.6Confident81.4Confident1 Ų152.3 Ų52.31%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-123.5143.2-178.4-78.7175.6000111.4L109 I130 L152 F161 I205 M206 L209 E217L109-L159 HydrophobicContact CD1-CD1 4.35Å; L109-L159 HydrophobicContact CD1-CD2 3.5Å; L109-L159 HydrophobicContact CD2-CD1 4.35Å; I130-L159 HydrophobicContact CB-CD2 3.59Å; I130-L159 HydrophobicContact CD1-CD2 4.45Å; I130-L159 HydrophobicContact CG2-CD2 3.82Å; I130-L159 WeakPolarHBondContact O-CA 3.44Å; L152-L159 HydrophobicContact CD1-CD1 3.52Å; L152-L159 HydrophobicContact CD2-CD1 4.16Å; L152-L159 HydrophobicContact CD2-CG 4.34Å; L152-L159 HydrophobicContact CG-CD1 4.47Å; L159-F161 HydrophobicContact CB-CE2 4.22Å; L159-F161 HydrophobicContact CD1-CE2 4.34Å; L159-I205 HydrophobicContact CD1-CG2 4.05Å; L159-M206 HydrophobicContact CB-CE 3.71Å; L159-M206 HydrophobicContact CB-SD 4.22Å; L159-M206 HydrophobicContact CD1-CE 3.81Å; L159-M206 HydrophobicContact CG-CE 4.41Å; L159-L209 HydrophobicContact CB-CD1 4.39Å; L159-L209 HydrophobicContact CD1-CD1 3.73Å; L159-L209 HydrophobicContact CG-CD1 4.3Å; L159-E217 VanDerWaalsContact O-OE2 3.11Å
160Q87.3Confident79Confident0 Ų059.1 Ų59.10%031%0.307CS..EExtended strand (participates in β ladder)trans-135.9131.7173.3-60.6-175.4-47.400109.4N129 I130 V131 L132 F162N129-Q160 PolarHBondContact ND2-OE1 3Å; I130-Q160 PolarHBondContact O-N 3.32Å; V131-Q160 HydrophobicContact CG2-CB 4.28Å; L132-Q160 PolarHBondContact N-O 3.38Å; Q160-F162 HydrophobicContact CB-CE2 3.87Å; Q160-F162 HydrophobicContact CB-CZ 4.47Å
161F87.1Confident76.3Confident0 Ų061.3 Ų61.30%032%0.317CS..EExtended strand (participates in β ladder)trans-109.6135.1-179.3-77.4-99.2000110.5W105 L132 L159 V202 M206 E217 I218 Y219W105-F161 HydrophobicContact CE3-CE1 4.23Å; W105-F161 AromaticContact CZ3-CE1 3.88Å; W105-F161 HydrophobicContact CZ3-CE1 3.88Å; W105-F161 AromaticContact CZ3-CZ 3.95Å; W105-F161 HydrophobicContact CZ3-CZ 3.95Å; L132-F161 HydrophobicContact CB-CD1 4.2Å; L132-F161 HydrophobicContact CB-CE1 4.22Å; L132-F161 HydrophobicContact CD2-CD1 3.75Å; L132-F161 HydrophobicContact CD2-CE1 3.27Å; L132-F161 HydrophobicContact CD2-CZ 4.1Å; L132-F161 HydrophobicContact CG-CE1 4.35Å; L159-F161 HydrophobicContact CB-CE2 4.22Å; L159-F161 HydrophobicContact CD1-CE2 4.34Å; F161-V202 HydrophobicContact CB-CG1 4.24Å; F161-V202 HydrophobicContact CD1-CB 4.48Å; F161-V202 HydrophobicContact CD1-CG1 3.77Å; F161-V202 HydrophobicContact CD1-CG2 3.77Å; F161-V202 HydrophobicContact CD2-CG1 3.81Å; F161-V202 HydrophobicContact CE1-CB 4.39Å; F161-V202 HydrophobicContact CE1-CG1 4.01Å; F161-V202 HydrophobicContact CE1-CG2 3.47Å; F161-V202 VanDerWaalsContact CE1-CG2 3.47Å; F161-V202 HydrophobicContact CE2-CG1 4.1Å; F161-V202 HydrophobicContact CG-CG1 3.66Å; F161-V202 HydrophobicContact CZ-CG1 4.18Å; F161-V202 HydrophobicContact CZ-CG2 4.04Å; F161-M206 HydrophobicContact CD2-CE 3.86Å; F161-M206 HydrophobicContact CD2-CG 4.36Å; F161-M206 HydrophobicContact CD2-SD 3.75Å; F161-M206 HydrophobicContact CE2-CE 3.34Å; F161-M206 HydrophobicContact CE2-SD 3.9Å; F161-M206 HydrophobicContact CZ-CE 4.37Å; F161-E217 PolarHBondContact N-O 3.16Å; F161-I218 HydrophobicContact CB-CG1 4.48Å; F161-I218 HydrophobicContact CB-CG2 4.14Å; F161-Y219 PolarHBondContact O-N 2.99Å
162F87.3Confident74Confident0 Ų068.1 Ų68.10%035%0.347CS..EExtended strand (participates in β ladder)trans-121.6114.5175.2-66.1-84.9000109.4V131 L132 L133 T134 Q160 Y219 F221 A224 M230V131-F162 HydrophobicContact CG1-CD2 3.72Å; V131-F162 HydrophobicContact CG1-CE2 3.62Å; L132-F162 PolarHBondContact O-N 3.21Å; L133-F162 HydrophobicContact CD2-CB 4.44Å; L133-F162 HydrophobicContact CG-CB 4.05Å; L133-F162 HydrophobicContact CG-CD2 4.42Å; L133-F162 HydrophobicContact CG-CG 4.49Å; T134-F162 PolarHBondContact N-O 3.43Å; Q160-F162 HydrophobicContact CB-CE2 3.87Å; Q160-F162 HydrophobicContact CB-CZ 4.47Å; F162-Y219 CarbonylContact C-O 3.59Å; F162-Y219 VanDerWaalsContact CA-O 3.31Å; F162-Y219 WeakPolarHBondContact CA-O 3.5Å; F162-Y219 HydrophobicContact CD1-CD2 4.38Å; F162-Y219 HydrophobicContact CD1-CG 4.46Å; F162-Y219 AromaticContact CE1-CD2 3.58Å; F162-Y219 HydrophobicContact CE1-CD2 3.58Å; F162-Y219 AromaticContact CE1-CG 3.86Å; F162-Y219 HydrophobicContact CE1-CG 3.86Å; F162-Y219 HydrophobicContact CE2-CD2 4.47Å; F162-Y219 AromaticContact CZ-CD2 3.63Å; F162-Y219 HydrophobicContact CZ-CD2 3.63Å; F162-Y219 HydrophobicContact CZ-CE2 4.39Å; F162-Y219 HydrophobicContact CZ-CG 4.37Å; F162-F221 HydrophobicContact CB-CD1 3.84Å; F162-F221 HydrophobicContact CB-CE1 3.57Å; F162-F221 WeakPolarHBondContact O-CE1 3.37Å; F162-F221 VanDerWaalsContact O-CZ 3.28Å; F162-F221 WeakPolarHBondContact O-CZ 3.33Å; F162-A224 HydrophobicContact CD1-CB 3.32Å; F162-A224 HydrophobicContact CE1-CB 3.28Å; F162-M230 HydrophobicContact CD1-CE 4.01Å; F162-M230 HydrophobicContact CD2-CE 3.42Å; F162-M230 VanDerWaalsContact CD2-CE 3.42Å; F162-M230 HydrophobicContact CE1-CE 3.9Å; F162-M230 HydrophobicContact CE1-CG 3.83Å; F162-M230 HydrophobicContact CE2-CE 3.32Å; F162-M230 HydrophobicContact CE2-CG 3.64Å; F162-M230 HydrophobicContact CE2-SD 4.37Å; F162-M230 HydrophobicContact CG-CE 3.79Å; F162-M230 HydrophobicContact CZ-CB 4.28Å; F162-M230 HydrophobicContact CZ-CE 3.58Å; F162-M230 HydrophobicContact CZ-CG 3.16Å; F162-M230 HydrophobicContact CZ-SD 4.28Å
163L87.6Confident71.2Confident0 Ų071.5 Ų71.50%038%0.382CS..EExtended strand (participates in β ladder)trans-119.8157.9-172.8-57.5177.7000110.9T134 L136 F165 L199 I218 Y219 T220 F221T134-L163 HydrophobicContact CG2-CD2 4.2Å; T134-L163 WeakPolarHBondContact O-CD2 3.46Å; L136-L163 HydrophobicContact CD1-CD1 3.97Å; L136-L163 HydrophobicContact CD1-CD2 3.51Å; L136-L163 HydrophobicContact CD1-CG 4.41Å; L136-L163 HydrophobicContact CD2-CD2 4.45Å; L136-L163 HydrophobicContact CG-CD2 3.64Å; L163-F165 VanDerWaalsContact C-N 3.29Å; L163-F165 HydrophobicContact CD1-CE2 4.08Å; L163-L199 HydrophobicContact CD1-CD1 3.86Å; L163-I218 HydrophobicContact CD1-CG2 3.59Å; L163-I218 HydrophobicContact CG-CG2 4.18Å; L163-Y219 PolarHBondContact N-O 3.26Å; L163-T220 CarbonylContact O-C 3.6Å; L163-T220 WeakPolarHBondContact O-CA 3.34Å; L163-F221 PolarHBondContact O-N 2.82Å
164P83.9Confident68.9Low43 Ų4370.1 Ų70.128%0.27940%0.401SS..SBendtrans-77.8-13.6174.325.9-26.8000113.4P28 T134 D135 F221P28-P164 HydrophobicContact CB-CB 4.38Å; P28-P164 HydrophobicContact CG-CB 4.23Å; T134-P164 WeakPolarHBondContact O-CD 3.25Å; D135-P164 HydrophobicContact CB-CG 3.95Å; P164-F221 HydrophobicContact CB-CD2 4Å; P164-F221 HydrophobicContact CB-CE2 4.02Å; P164-F221 HydrophobicContact CG-CE2 4.28Å
165F80.5Confident66.1Low25 Ų2564.2 Ų64.211%0.1140%0.4CS..SBendtrans-125.8150.7-176.647.2-97.9000112.1L136 L163 L191 Q195 L199L136-F165 HydrophobicContact CB-CZ 4.45Å; L136-F165 HydrophobicContact CD1-CZ 4.2Å; L163-F165 VanDerWaalsContact C-N 3.29Å; L163-F165 HydrophobicContact CD1-CE2 4.08Å; F165-L191 HydrophobicContact CB-CD2 4.09Å; F165-L191 HydrophobicContact CD1-CD2 3.49Å; F165-L191 VanDerWaalsContact CD1-CD2 3.49Å; F165-L191 HydrophobicContact CD2-CD1 4.27Å; F165-L191 HydrophobicContact CD2-CD2 3.64Å; F165-L191 HydrophobicContact CE1-CD2 3.74Å; F165-L191 HydrophobicContact CE2-CD1 4.31Å; F165-L191 HydrophobicContact CE2-CD2 3.86Å; F165-L191 HydrophobicContact CG-CD2 3.46Å; F165-L191 VanDerWaalsContact CG-CD2 3.46Å; F165-L191 HydrophobicContact CZ-CD2 3.91Å; F165-Q195 HydrophobicContact CE1-CB 4.47Å; F165-Q195 HydrophobicContact CE1-CG 4.32Å; F165-Q195 HydrophobicContact CZ-CB 4.27Å; F165-L199 HydrophobicContact CE2-CD1 4.29Å; F165-L199 HydrophobicContact CE2-CD2 4.15Å
166P76.8Confident64Low62 Ų6271.2 Ų71.240%0.40343%0.431SS..  trans-71.2157178.130-34.7000112.1E168 T220P166-E168 PolarHBondContact O-N 3.29Å; P166-T220 HydrophobicContact CB-CG2 4.01Å
167V68.9Low61.4Low40 Ų4071.9 Ų71.924%0.24244%0.438CS..  trans-90.381.7173.2-1720000107.9L199 K203 I218V167-L199 HydrophobicContact CG2-CD1 4.13Å; V167-K203 HydrophobicContact CG1-CD 4.35Å; V167-K203 HydrophobicContact CG1-CG 4.39Å; V167-I218 HydrophobicContact CG1-CD1 4.44Å; V167-I218 HydrophobicContact CG2-CB 3.66Å; V167-I218 HydrophobicContact CG2-CD1 3.99Å; V167-I218 HydrophobicContact CG2-CG1 4.44Å; V167-I218 HydrophobicContact CG2-CG2 3.27Å
168E61.9Low59Low153 Ų15379.7 Ų79.772%0.71548%0.48SS*.  trans-80.7146.5168.8-72.4-174.117000110.3P166 K203P166-E168 PolarHBondContact O-N 3.29Å; E168-K203 PolarHBondContact O-NZ 3.36Å
169D44.3Very low56.3Low120 Ų12081 Ų8164%0.64250%0.501SS*.  trans-83.8115.3163-69.8-35000107E171 K203D169-E171 VanDerWaalsContact C-N 3.29Å; D169-E171 PolarHBondContact O-N 2.92Å; D169-K203 IonicContact OD1-NZ 2.93Å; D169-K203 PolarHBondContact OD1-NZ 3.5Å; D169-K203 VanDerWaalsContact OD1-NZ 3.15Å
170E35.8Very low53.9Low154 Ų15488.3 Ų88.372%0.7255%0.545SS*.  trans-65.190.2174.5-69-171.2165.200108.9E172E170-E172 PolarHBondContact O-N 3.11Å
171E29.9Very low51.1Low186 Ų18690.2 Ų90.287%0.86956%0.564SS**  trans-74.4107.3151.1-76.3-162.1164.700107.3D169 G173D169-E171 VanDerWaalsContact C-N 3.29Å; D169-E171 PolarHBondContact O-N 2.92Å; E171-G173 VanDerWaalsContact C-N 3.33Å; E171-G173 PolarHBondContact O-N 2.87Å
172E37.3Very low48.7Very low197 Ų19794.8 Ų94.892%0.92160%0.596SS**  trans-54.991.4171.2-78.8-173.9137.700111.1E170E170-E172 PolarHBondContact O-N 3.11Å
173G28.8Very low46Very low71 Ų7198.3 Ų98.373%0.73263%0.633SS**  trans-103.882.2167.800000110.9E171 G175E171-G173 VanDerWaalsContact C-N 3.33Å; E171-G173 PolarHBondContact O-N 2.87Å; G173-G175 PolarHBondContact O-N 2.89Å; G173-G175 VanDerWaalsContact O-N 3.09Å
174G37.8Very low43.5Very low90 Ų90102.8 Ų102.893%0.92866%0.657SS**  trans-61.5108.7167.200000110.7
175G28.4Very low41.2Very low67 Ų67104.7 Ų104.769%0.69167%0.67SS**  trans-160.698.8177.900000111.6G173 G177G173-G175 PolarHBondContact O-N 2.89Å; G173-G175 VanDerWaalsContact O-N 3.09Å; G175-G177 PolarHBondContact O-N 3.45Å; G175-G177 VanDerWaalsContact O-N 3.16Å
176D38.6Very low39.3Very low190 Ų190106.2 Ų106.2100%1.01669%0.692SS**  trans-58.9109.8166.7-139.95.8000108.2
177G28.7Very low37.6Very low64 Ų64113.2 Ų113.266%0.6671%0.711SS**  trans-16398.4-173.400000111.9G175 G179G175-G177 PolarHBondContact O-N 3.45Å; G175-G177 VanDerWaalsContact O-N 3.16Å; G177-G179 PolarHBondContact O-N 3.35Å
178D35.6Very low36.6Very low178 Ų178114.1 Ų114.195%0.95273%0.728SS**  trans-60.4100170.7-167.524000109.7
179G30.2Very low36.1Very low61 Ų61116.9 Ų116.963%0.62974%0.738SS**  trans-145.197.5-177.800000110.3G177 G181G177-G179 PolarHBondContact O-N 3.35Å; G179-G181 VanDerWaalsContact C-N 3.29Å; G179-G181 PolarHBondContact O-N 3.05Å
180T36.4Very low37Very low154 Ų154114.4 Ų114.495%0.94574%0.741SS**  trans-60.587.8165.8300000110.1
181G28.2Very low38.8Very low39 Ų39109.4 Ų109.440%0.40272%0.719SS.*  trans-102.8119.1168.500000110.5G179G179-G181 VanDerWaalsContact C-N 3.29Å; G179-G181 PolarHBondContact O-N 3.05Å
182S34.9Very low41.3Very low96 Ų96102.4 Ų102.467%0.67169%0.691SS**  trans20.6111.415442.10000117.3D184S182-D184 PolarHBondContact O-N 3.41Å
183G31.3Very low43.3Very low75 Ų75103.1 Ų103.177%0.77369%0.685SS**  trans-69.2109.6-176.500000113.7
184D35.6Very low45.9Very low93 Ų93103.1 Ų103.150%0.49767%0.666SS.*  trans-88.1116.2142.8-155.717.4000107S182 G186 R187 R222S182-D184 PolarHBondContact O-N 3.41Å; D184-G186 PolarHBondContact O-N 2.85Å; D184-R187 PolarHBondContact O-N 3.36Å; D184-R222 IonicContact OD1-NH1 3.82Å; D184-R222 PolarHBondContact OD1-NH1 2.93Å
185P36.2Very low48.1Very low84 Ų84100.6 Ų100.655%0.54563%0.63SS.*THydrogen-bonded Turntrans-68.9105.5176.521.1-18.7000108.2E25E25-P185 WeakPolarHBondContact OE1-CB 3.28Å
186G40.1Very low50.8Low57 Ų57103.6 Ų103.659%0.58862%0.62SS**THydrogen-bonded Turntrans152.4-19.5-165.700000112D184 G188D184-G186 PolarHBondContact O-N 2.85Å; G186-G188 PolarHBondContact O-N 3.36Å
187R41.6Very low53Low208 Ų20897.2 Ų97.279%0.78559%0.591SS**  trans-76.727.1177.4-138.1177.3-170.6-163.10.8114.6D184D184-R187 PolarHBondContact O-N 3.36Å
188G46.2Very low55.6Low60 Ų6094.2 Ų94.262%0.61956%0.56SS**SBendtrans-115.5122.3-178.600000112.3G186G186-G188 PolarHBondContact O-N 3.36Å
189K53.1Low58Low210 Ų21086.5 Ų86.591%0.91352%0.519SS*.SBendtrans50.6115.4-175.1-78.6-178.7177.8176.90113.8
190G61.6Low60.6Low69 Ų6990.4 Ų90.471%0.71152%0.52SS*.PPolyproline II helixtrans-51.4153.5177.600000113.7
191L74.8Confident62.8Low49 Ų4984.1 Ų84.126%0.25748%0.481SS..PPolyproline II helixtrans-47.9143.2-177.9-63.4169.7000112.4F165 Q195 R196 L199F165-L191 HydrophobicContact CB-CD2 4.09Å; F165-L191 HydrophobicContact CD1-CD2 3.49Å; F165-L191 VanDerWaalsContact CD1-CD2 3.49Å; F165-L191 HydrophobicContact CD2-CD1 4.27Å; F165-L191 HydrophobicContact CD2-CD2 3.64Å; F165-L191 HydrophobicContact CE1-CD2 3.74Å; F165-L191 HydrophobicContact CE2-CD1 4.31Å; F165-L191 HydrophobicContact CE2-CD2 3.86Å; F165-L191 HydrophobicContact CG-CD2 3.46Å; F165-L191 VanDerWaalsContact CG-CD2 3.46Å; F165-L191 HydrophobicContact CZ-CD2 3.91Å; L191-Q195 HydrophobicContact CB-CB 4.22Å; L191-Q195 HydrophobicContact CD2-CB 4.43Å; L191-R196 HydrophobicContact CB-CG 3.82Å; L191-R196 HydrophobicContact CD1-CG 4.38Å; L191-L199 HydrophobicContact CD1-CD2 4.23Å
192S80.9Confident65.6Low39 Ų3982.3 Ų82.327%0.27346%0.462SS..PPolyproline II helixtrans-62.7162.7173.595.20000111E194 Q195 R196S192-E194 VanDerWaalsContact CB-OE2 3.23Å; S192-E194 WeakPolarHBondContact CB-OE2 3.41Å; S192-E194 PolarHBondContact O-N 2.9Å; S192-E194 PolarHBondContact OG-N 2.73Å; S192-E194 PolarHBondContact OG-OE2 3.35Å; S192-Q195 PolarHBondContact O-N 3.2Å; S192-Q195 WeakPolarHBondContact OG-CG 3.44Å; S192-Q195 PolarHBondContact OG-N 2.78Å; S192-Q195 VanDerWaalsContact OG-N 3.09Å; S192-R196 WeakPolarHBondContact O-CG 3.1Å; S192-R196 PolarHBondContact O-N 2.74Å
193R81Confident68Low212 Ų21279.8 Ų79.880%0.844%0.439SS*.Hα-helixtrans-62.5-38.7178.7-176.2-178.8176.5-165.7-4111S197R193-S197 PolarHBondContact O-N 2.61Å
194E82.3Confident70.6Confident71 Ų7180.1 Ų80.133%0.33242%0.423SS..Hα-helixtrans-65.3-45.9177.5-53.273.9-154.700110E139 S192 R196 S197 G198E139-E194 HydrophobicContact CG-CG 4.11Å; S192-E194 VanDerWaalsContact CB-OE2 3.23Å; S192-E194 WeakPolarHBondContact CB-OE2 3.41Å; S192-E194 PolarHBondContact O-N 2.9Å; S192-E194 PolarHBondContact OG-N 2.73Å; S192-E194 PolarHBondContact OG-OE2 3.35Å; E194-R196 PolarHBondContact O-N 3.37Å; E194-S197 PolarHBondContact O-N 2.94Å; E194-G198 PolarHBondContact O-N 2.9Å
195Q83.9Confident72.9Confident36 Ų3675.7 Ų75.717%0.16840%0.399CS..Hα-helixtrans-61.9-41.2176.6-71.9177.6-3700113D135 L136 F165 L191 S192 G198 L199D135-Q195 WeakPolarHBondContact O-CG 3.39Å; D135-Q195 PolarHBondContact O-NE2 2.97Å; L136-Q195 WeakPolarHBondContact O-CA 3.49Å; L136-Q195 PolarHBondContact O-N 2.95Å; F165-Q195 HydrophobicContact CE1-CB 4.47Å; F165-Q195 HydrophobicContact CE1-CG 4.32Å; F165-Q195 HydrophobicContact CZ-CB 4.27Å; L191-Q195 HydrophobicContact CB-CB 4.22Å; L191-Q195 HydrophobicContact CD2-CB 4.43Å; S192-Q195 PolarHBondContact O-N 3.2Å; S192-Q195 WeakPolarHBondContact OG-CG 3.44Å; S192-Q195 PolarHBondContact OG-N 2.78Å; S192-Q195 VanDerWaalsContact OG-N 3.09Å; Q195-G198 PolarHBondContact O-N 2.77Å; Q195-L199 VanDerWaalsContact O-CB 3.25Å; Q195-L199 WeakPolarHBondContact O-CB 3.38Å; Q195-L199 PolarHBondContact O-N 2.83Å
196R84.8Confident75.2Confident130 Ų13071.8 Ų71.849%0.49137%0.374SS..Hα-helixtrans-63.2-46.3174.7-74.8-177.6176152.9-3.3111.7L191 S192 E194 L199 E200L191-R196 HydrophobicContact CB-CG 3.82Å; L191-R196 HydrophobicContact CD1-CG 4.38Å; S192-R196 WeakPolarHBondContact O-CG 3.1Å; S192-R196 PolarHBondContact O-N 2.74Å; E194-R196 PolarHBondContact O-N 3.37Å; R196-L199 PolarHBondContact O-N 3.31Å; R196-E200 PolarHBondContact O-N 3.1Å
197S84.7Confident77.3Confident56 Ų5672.4 Ų72.439%0.39236%0.363SS..Hα-helixtrans-64.4-41.1178.4-170.50000111.8R193 E194 M201R193-S197 PolarHBondContact O-N 2.61Å; E194-S197 PolarHBondContact O-N 2.94Å; S197-M201 WeakPolarHBondContact O-CG 3.37Å; S197-M201 PolarHBondContact O-N 3.13Å; S197-M201 VanDerWaalsContact O-N 3.11Å; S197-M201 WeakPolarHBondContact OG-CE 3.13Å
198G83.9Confident79.3Confident2 Ų264.2 Ų64.22%0.02134%0.338CS..Hα-helixtrans-63.7-43.5174.900000111.9E194 Q195 E200 M201 V202E194-G198 PolarHBondContact O-N 2.9Å; Q195-G198 PolarHBondContact O-N 2.77Å; G198-E200 PolarHBondContact O-N 3.05Å; G198-M201 WeakPolarHBondContact O-CB 3.44Å; G198-M201 PolarHBondContact O-N 3.46Å; G198-V202 WeakPolarHBondContact O-CG2 3.05Å; G198-V202 PolarHBondContact O-N 3.29Å
199L85.8Confident80.9Confident15 Ų1563.7 Ų63.78%0.07932%0.321CS..Hα-helixtrans-63.9-40.7178.2-176.962.6000111.9L136 L163 F165 V167 L191 Q195 R196 M201 V202 K203L136-L199 HydrophobicContact CD1-CB 4.41Å; L163-L199 HydrophobicContact CD1-CD1 3.86Å; F165-L199 HydrophobicContact CE2-CD1 4.29Å; F165-L199 HydrophobicContact CE2-CD2 4.15Å; V167-L199 HydrophobicContact CG2-CD1 4.13Å; L191-L199 HydrophobicContact CD1-CD2 4.23Å; Q195-L199 VanDerWaalsContact O-CB 3.25Å; Q195-L199 WeakPolarHBondContact O-CB 3.38Å; Q195-L199 PolarHBondContact O-N 2.83Å; R196-L199 PolarHBondContact O-N 3.31Å; L199-M201 VanDerWaalsContact C-N 3.34Å; L199-V202 PolarHBondContact O-N 3.24Å; L199-K203 WeakPolarHBondContact O-CG 3.41Å; L199-K203 PolarHBondContact O-N 3.44Å
200E84.5Confident82Confident143 Ų14355.8 Ų55.867%0.66829%0.288SS*.Hα-helixtrans-63.1-40.8175.4-169.5175-172.300111.6R196 G198 K203 N204R196-E200 PolarHBondContact O-N 3.1Å; G198-E200 PolarHBondContact O-N 3.05Å; E200-K203 PolarHBondContact O-N 3.39Å; E200-N204 WeakPolarHBondContact O-CB 3.47Å; E200-N204 PolarHBondContact O-N 2.97Å
201M84.1Confident82.4Confident23 Ų2360.6 Ų60.611%0.11329%0.292CS..Hα-helixtrans-62.2-44.5172.5-72.1-174.8-115.700111.8W105 L106 A140 L145 S197 G198 L199 N204 I205W105-M201 HydrophobicContact CH2-CB 4.48Å; W105-M201 HydrophobicContact CZ2-CB 4.21Å; L106-M201 HydrophobicContact CD1-SD 4.47Å; A140-M201 HydrophobicContact CB-CE 4.3Å; A140-M201 HydrophobicContact CB-SD 4.39Å; L145-M201 HydrophobicContact CD1-CG 3.97Å; L145-M201 HydrophobicContact CD1-SD 3.9Å; S197-M201 WeakPolarHBondContact O-CG 3.37Å; S197-M201 PolarHBondContact O-N 3.13Å; S197-M201 VanDerWaalsContact O-N 3.11Å; S197-M201 WeakPolarHBondContact OG-CE 3.13Å; G198-M201 WeakPolarHBondContact O-CB 3.44Å; G198-M201 PolarHBondContact O-N 3.46Å; L199-M201 VanDerWaalsContact C-N 3.34Å; M201-N204 PolarHBondContact O-N 3.09Å; M201-I205 VanDerWaalsContact O-CG1 3.28Å; M201-I205 WeakPolarHBondContact O-CG1 3.49Å; M201-I205 PolarHBondContact O-N 3.05Å
202V85.9Confident82Confident0 Ų066.8 Ų66.80%032%0.32CS..Hα-helixtrans-62.3-46.4176.8173.20000111.1W105 L136 F161 G198 L199 N204 I205 M206 I218W105-V202 HydrophobicContact CH2-CG2 3.86Å; W105-V202 HydrophobicContact CZ2-CG2 4.17Å; W105-V202 HydrophobicContact CZ3-CG2 4.4Å; L136-V202 HydrophobicContact CD1-CG2 4.23Å; L136-V202 HydrophobicContact CD2-CG2 4.23Å; F161-V202 HydrophobicContact CB-CG1 4.24Å; F161-V202 HydrophobicContact CD1-CB 4.48Å; F161-V202 HydrophobicContact CD1-CG1 3.77Å; F161-V202 HydrophobicContact CD1-CG2 3.77Å; F161-V202 HydrophobicContact CD2-CG1 3.81Å; F161-V202 HydrophobicContact CE1-CB 4.39Å; F161-V202 HydrophobicContact CE1-CG1 4.01Å; F161-V202 HydrophobicContact CE1-CG2 3.47Å; F161-V202 VanDerWaalsContact CE1-CG2 3.47Å; F161-V202 HydrophobicContact CE2-CG1 4.1Å; F161-V202 HydrophobicContact CG-CG1 3.66Å; F161-V202 HydrophobicContact CZ-CG1 4.18Å; F161-V202 HydrophobicContact CZ-CG2 4.04Å; G198-V202 WeakPolarHBondContact O-CG2 3.05Å; G198-V202 PolarHBondContact O-N 3.29Å; L199-V202 PolarHBondContact O-N 3.24Å; V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.9Å; V202-I205 PolarHBondContact O-N 2.74Å; V202-M206 HydrophobicContact CG1-CG 4.16Å; V202-M206 WeakPolarHBondContact O-CB 3.39Å; V202-M206 WeakPolarHBondContact O-CG 3.49Å; V202-M206 PolarHBondContact O-N 2.68Å; V202-I218 HydrophobicContact CG1-CD1 3.9Å; V202-I218 HydrophobicContact CG1-CG1 4.25Å
203K86Confident81.3Confident43 Ų4369.5 Ų69.519%0.18733%0.328CS..Hα-helixtrans-55.2-45.8174.8-75.8-170.9177.1-166.30110.7V167 E168 D169 L199 E200 M206 L207 L215V167-K203 HydrophobicContact CG1-CD 4.35Å; V167-K203 HydrophobicContact CG1-CG 4.39Å; E168-K203 PolarHBondContact O-NZ 3.36Å; D169-K203 IonicContact OD1-NZ 2.93Å; D169-K203 PolarHBondContact OD1-NZ 3.5Å; D169-K203 VanDerWaalsContact OD1-NZ 3.15Å; L199-K203 WeakPolarHBondContact O-CG 3.41Å; L199-K203 PolarHBondContact O-N 3.44Å; E200-K203 PolarHBondContact O-N 3.39Å; K203-M206 PolarHBondContact O-N 2.64Å; K203-L207 WeakPolarHBondContact O-CB 3.46Å; K203-L207 WeakPolarHBondContact O-CG 3.33Å; K203-L207 PolarHBondContact O-N 2.66Å; K203-L215 HydrophobicContact CB-CD2 4.32Å; K203-L215 HydrophobicContact CG-CD2 4.01Å
204N85.1Confident80.8Confident82 Ų8259.5 Ų59.544%0.43929%0.291SS..Hα-helixtrans-63.8-44178.7-172.523.5000112.7E200 M201 V202 S208E200-N204 WeakPolarHBondContact O-CB 3.47Å; E200-N204 PolarHBondContact O-N 2.97Å; M201-N204 PolarHBondContact O-N 3.09Å; V202-N204 VanDerWaalsContact C-N 3.29Å; V202-N204 PolarHBondContact O-N 2.9Å; N204-S208 WeakPolarHBondContact O-CB 3.47Å; N204-S208 PolarHBondContact O-N 3.36Å; N204-S208 PolarHBondContact O-OG 3.44Å
205I84.9Confident80.4Confident1 Ų159.1 Ų59.11%0.00529%0.291CS..Hα-helixtrans-63.2-46.3176.9-63.2166.6000110.2W105 L106 L145 I149 L152 L159 M201 V202 S208 L209W105-I205 HydrophobicContact CH2-CD1 3.76Å; W105-I205 HydrophobicContact CZ3-CD1 4.1Å; L106-I205 HydrophobicContact CD2-CD1 4.14Å; L145-I205 HydrophobicContact CD2-CD1 3.82Å; L145-I205 HydrophobicContact CD2-CG1 4.19Å; I149-I205 HydrophobicContact CD1-CG1 4.13Å; I149-I205 HydrophobicContact CG1-CG1 4.18Å; I149-I205 HydrophobicContact CG1-CG2 4.25Å; L152-I205 HydrophobicContact CD1-CG2 4.5Å; L159-I205 HydrophobicContact CD1-CG2 4.05Å; M201-I205 VanDerWaalsContact O-CG1 3.28Å; M201-I205 WeakPolarHBondContact O-CG1 3.49Å; M201-I205 PolarHBondContact O-N 3.05Å; V202-I205 PolarHBondContact O-N 2.74Å; I205-S208 PolarHBondContact O-N 3.13Å; I205-L209 HydrophobicContact CG2-CD1 3.92Å; I205-L209 HydrophobicContact CG2-CG 4.48Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.28Å; I205-L209 PolarHBondContact O-N 3.48Å
206M84.1Confident80Confident2 Ų263.7 Ų63.71%0.0131%0.312CS..Hα-helixtrans-64.9-49.8-177.7-68.7-52.68800111.9L159 F161 V202 K203 S208 L209 D210 G214 I218L159-M206 HydrophobicContact CB-CE 3.71Å; L159-M206 HydrophobicContact CB-SD 4.22Å; L159-M206 HydrophobicContact CD1-CE 3.81Å; L159-M206 HydrophobicContact CG-CE 4.41Å; F161-M206 HydrophobicContact CD2-CE 3.86Å; F161-M206 HydrophobicContact CD2-CG 4.36Å; F161-M206 HydrophobicContact CD2-SD 3.75Å; F161-M206 HydrophobicContact CE2-CE 3.34Å; F161-M206 HydrophobicContact CE2-SD 3.9Å; F161-M206 HydrophobicContact CZ-CE 4.37Å; V202-M206 HydrophobicContact CG1-CG 4.16Å; V202-M206 WeakPolarHBondContact O-CB 3.39Å; V202-M206 WeakPolarHBondContact O-CG 3.49Å; V202-M206 PolarHBondContact O-N 2.68Å; K203-M206 PolarHBondContact O-N 2.64Å; M206-S208 VanDerWaalsContact C-N 3.26Å; M206-S208 PolarHBondContact O-N 3.09Å; M206-L209 HydrophobicContact CE-CD1 3.93Å; M206-L209 PolarHBondContact O-N 3.16Å; M206-L209 VanDerWaalsContact O-N 3.1Å; M206-D210 PolarHBondContact O-N 3.17Å; M206-G214 WeakPolarHBondContact CB-O 3.43Å; M206-I218 HydrophobicContact CG-CD1 4.1Å; M206-I218 HydrophobicContact CG-CG1 4.01Å
207L84.7Confident79.4Confident70 Ų7058.2 Ų58.237%0.36629%0.292SS..Hα-helixtrans-62.4-34.6176.5-72.3170.4000112.3K203 L209 D210 E211 L215K203-L207 WeakPolarHBondContact O-CB 3.46Å; K203-L207 WeakPolarHBondContact O-CG 3.33Å; K203-L207 PolarHBondContact O-N 2.66Å; L207-L209 VanDerWaalsContact C-N 3.34Å; L207-D210 CarbonylContact O-C 3.56Å; L207-E211 PolarHBondContact O-N 2.97Å; L207-L215 HydrophobicContact CD1-CD2 4.47Å; L207-L215 HydrophobicContact CD2-CD1 3.95Å; L207-L215 HydrophobicContact CD2-CD2 4.36Å; L207-L215 HydrophobicContact CD2-CG 3.81Å; L207-L215 HydrophobicContact CG-CD1 4.46Å; L207-L215 HydrophobicContact CG-CD2 4.14Å; L207-L215 HydrophobicContact CG-CG 4.15Å
208S84Confident79.3Confident36 Ų3656.4 Ų56.425%0.25228%0.278SS..Hα-helixtrans-67.9-35.1175.5-68.70000112.1K153 N204 I205 M206K153-S208 WeakPolarHBondContact CE-O 3.26Å; K153-S208 PolarHBondContact NZ-O 3.39Å; N204-S208 WeakPolarHBondContact O-CB 3.47Å; N204-S208 PolarHBondContact O-N 3.36Å; N204-S208 PolarHBondContact O-OG 3.44Å; I205-S208 PolarHBondContact O-N 3.13Å; M206-S208 VanDerWaalsContact C-N 3.26Å; M206-S208 PolarHBondContact O-N 3.09Å
209L79.3Confident79.3Confident49 Ų4957.4 Ų57.426%0.25728%0.281SS..Hα-helixtrans-78.6-39.9179.3-72.2172.5000112.6L152 K153 L159 I205 M206 L207L152-L209 HydrophobicContact CB-CD2 3.86Å; L152-L209 HydrophobicContact CD1-CD1 4.23Å; K153-L209 HydrophobicContact CG-CD2 3.73Å; L159-L209 HydrophobicContact CB-CD1 4.39Å; L159-L209 HydrophobicContact CD1-CD1 3.73Å; L159-L209 HydrophobicContact CG-CD1 4.3Å; I205-L209 HydrophobicContact CG2-CD1 3.92Å; I205-L209 HydrophobicContact CG2-CG 4.48Å; I205-L209 VanDerWaalsContact O-CG 3.3Å; I205-L209 WeakPolarHBondContact O-CG 3.28Å; I205-L209 PolarHBondContact O-N 3.48Å; M206-L209 HydrophobicContact CE-CD1 3.93Å; M206-L209 PolarHBondContact O-N 3.16Å; M206-L209 VanDerWaalsContact O-N 3.1Å; L207-L209 VanDerWaalsContact C-N 3.34Å
210D76.3Confident79.2Confident44 Ų4457.5 Ų57.524%0.23528%0.282CS..  trans-147103-175.8-160.2-30.1000109.3M206 L207 E212 E213 G214 R233M206-D210 PolarHBondContact O-N 3.17Å; L207-D210 CarbonylContact O-C 3.56Å; D210-E212 VanDerWaalsContact C-N 3.29Å; D210-E212 PolarHBondContact O-N 2.7Å; D210-E213 PolarHBondContact OD1-N 3.04Å; D210-G214 VanDerWaalsContact O-CA 3.28Å; D210-G214 WeakPolarHBondContact O-CA 3.43Å; D210-G214 PolarHBondContact O-N 3.09Å; D210-R233 IonicContact OD2-NH2 2.61Å; D210-R233 PolarHBondContact OD2-NH2 3.02Å
211E69.5Low79.1Confident170 Ų17050.7 Ų50.779%0.79425%0.251SS*.THydrogen-bonded Turntrans-68-27.9-172.3-69.2179.6-177.400112.9L207L207-E211 PolarHBondContact O-N 2.97Å
212E65.5Low78.8Confident179 Ų17955.3 Ų55.384%0.83627%0.267SS*.THydrogen-bonded Turntrans-103.1-44-174.5-64.8-174173.200112.2D210D210-E212 VanDerWaalsContact C-N 3.29Å; D210-E212 PolarHBondContact O-N 2.7Å
213E66.5Low78.3Confident96 Ų9658.3 Ų58.345%0.44928%0.283SS..THydrogen-bonded Turntrans-102.7-6.2-175.6-64.7-176.4-178.500113.6D210 L215 E216 E217D210-E213 PolarHBondContact OD1-N 3.04Å; E213-L215 PolarHBondContact O-N 3.03Å; E213-E216 WeakPolarHBondContact O-CB 3.38Å; E213-E216 PolarHBondContact O-N 3.1Å; E213-E217 WeakPolarHBondContact O-CG 3.49Å
214G70.8Confident77.8Confident1 Ų156.4 Ų56.41%0.0128%0.275CS..G310 helixtrans-60.4-38.1-169.900000114.7M206 D210 E216 E217M206-G214 WeakPolarHBondContact CB-O 3.43Å; D210-G214 VanDerWaalsContact O-CA 3.28Å; D210-G214 WeakPolarHBondContact O-CA 3.43Å; D210-G214 PolarHBondContact O-N 3.09Å; G214-E216 VanDerWaalsContact C-N 3.33Å; G214-E217 WeakPolarHBondContact O-CB 3.42Å; G214-E217 PolarHBondContact O-N 2.92Å
215L75.2Confident77.3Confident63 Ų6353.3 Ų53.333%0.3326%0.259SS..G310 helixtrans-73.9-24.9178.7-65.5177.1000112.7K203 L207 E213 E217 I218K203-L215 HydrophobicContact CB-CD2 4.32Å; K203-L215 HydrophobicContact CG-CD2 4.01Å; L207-L215 HydrophobicContact CD1-CD2 4.47Å; L207-L215 HydrophobicContact CD2-CD1 3.95Å; L207-L215 HydrophobicContact CD2-CD2 4.36Å; L207-L215 HydrophobicContact CD2-CG 3.81Å; L207-L215 HydrophobicContact CG-CD1 4.46Å; L207-L215 HydrophobicContact CG-CD2 4.14Å; L207-L215 HydrophobicContact CG-CG 4.15Å; E213-L215 PolarHBondContact O-N 3.03Å; L215-E217 PolarHBondContact O-N 2.86Å; L215-I218 HydrophobicContact CD2-CD1 4.17Å; L215-I218 PolarHBondContact O-N 3.03Å
216E73.6Confident76.5Confident133 Ų13355.7 Ų55.762%0.62127%0.27SS*.G310 helixtrans-71.1-8.9174.5-58-167.3172.600112.8E213 G214 Y219E213-E216 WeakPolarHBondContact O-CB 3.38Å; E213-E216 PolarHBondContact O-N 3.1Å; G214-E216 VanDerWaalsContact C-N 3.33Å; E216-Y219 WeakPolarHBondContact O-CE1 3.34Å; E216-Y219 PolarHBondContact O-OH 2.84Å
217E73.9Confident75.5Confident15 Ų1558.6 Ų58.67%0.0728%0.283CS..G310 helixtrans-91.8-1.8-179.7-46.5-138.611200113.6L159 F161 E213 G214 L215 Y219 R233L159-E217 VanDerWaalsContact O-OE2 3.11Å; F161-E217 PolarHBondContact N-O 3.16Å; E213-E217 WeakPolarHBondContact O-CG 3.49Å; G214-E217 WeakPolarHBondContact O-CB 3.42Å; G214-E217 PolarHBondContact O-N 2.92Å; L215-E217 PolarHBondContact O-N 2.86Å; E217-Y219 WeakPolarHBondContact O-CD2 3.4Å; E217-Y219 WeakPolarHBondContact O-CE2 3.37Å; E217-R233 VanDerWaalsContact CD-CZ 3.47Å; E217-R233 IonicContact OE1-CZ 2.87Å; E217-R233 IonicContact OE1-NE 3.98Å; E217-R233 PolarHBondContact OE1-NE 2.94Å; E217-R233 IonicContact OE1-NH2 2.68Å; E217-R233 PolarHBondContact OE1-NH2 3.09Å; E217-R233 IonicContact OE2-CZ 2.94Å; E217-R233 VanDerWaalsContact OE2-CZ 3.23Å; E217-R233 IonicContact OE2-NE 2.62Å; E217-R233 PolarHBondContact OE2-NE 3.18Å; E217-R233 IonicContact OE2-NH1 2.64Å; E217-R233 IonicContact OE2-NH2 2.77Å; E217-R233 PolarHBondContact OE2-NH2 3.1Å; E217-R233 VanDerWaalsContact OE2-NH2 3.09Å
218I82.5Confident74.6Confident17 Ų1756.1 Ų56.19%0.08727%0.271CS..EExtended strand (participates in β ladder)trans-97.2112.6174.9-48.5170.1000108.2F161 L163 V167 V202 M206 L215F161-I218 HydrophobicContact CB-CG1 4.48Å; F161-I218 HydrophobicContact CB-CG2 4.14Å; L163-I218 HydrophobicContact CD1-CG2 3.59Å; L163-I218 HydrophobicContact CG-CG2 4.18Å; V167-I218 HydrophobicContact CG1-CD1 4.44Å; V167-I218 HydrophobicContact CG2-CB 3.66Å; V167-I218 HydrophobicContact CG2-CD1 3.99Å; V167-I218 HydrophobicContact CG2-CG1 4.44Å; V167-I218 HydrophobicContact CG2-CG2 3.27Å; V202-I218 HydrophobicContact CG1-CD1 3.9Å; V202-I218 HydrophobicContact CG1-CG1 4.25Å; M206-I218 HydrophobicContact CG-CD1 4.1Å; M206-I218 HydrophobicContact CG-CG1 4.01Å; L215-I218 HydrophobicContact CD2-CD1 4.17Å; L215-I218 PolarHBondContact O-N 3.03Å
219Y82.4Confident73.1Confident23 Ų2354.4 Ų54.49%0.0926%0.259CS..EExtended strand (participates in β ladder)trans-112.1148.4-176.2-59.2-68.6000111.1F161 F162 L163 E216 E217 C229F161-Y219 PolarHBondContact O-N 2.99Å; F162-Y219 CarbonylContact C-O 3.59Å; F162-Y219 VanDerWaalsContact CA-O 3.31Å; F162-Y219 WeakPolarHBondContact CA-O 3.5Å; F162-Y219 HydrophobicContact CD1-CD2 4.38Å; F162-Y219 HydrophobicContact CD1-CG 4.46Å; F162-Y219 AromaticContact CE1-CD2 3.58Å; F162-Y219 HydrophobicContact CE1-CD2 3.58Å; F162-Y219 AromaticContact CE1-CG 3.86Å; F162-Y219 HydrophobicContact CE1-CG 3.86Å; F162-Y219 HydrophobicContact CE2-CD2 4.47Å; F162-Y219 AromaticContact CZ-CD2 3.63Å; F162-Y219 HydrophobicContact CZ-CD2 3.63Å; F162-Y219 HydrophobicContact CZ-CE2 4.39Å; F162-Y219 HydrophobicContact CZ-CG 4.37Å; L163-Y219 PolarHBondContact N-O 3.26Å; E216-Y219 WeakPolarHBondContact O-CE1 3.34Å; E216-Y219 PolarHBondContact O-OH 2.84Å; E217-Y219 WeakPolarHBondContact O-CD2 3.4Å; E217-Y219 WeakPolarHBondContact O-CE2 3.37Å; Y219-C229 HydrophobicContact CD1-CB 3.54Å; Y219-C229 WeakPolarHBondContact CD1-SG 3.01Å; Y219-C229 HydrophobicContact CD2-CB 3.78Å; Y219-C229 HydrophobicContact CE1-CB 3.52Å; Y219-C229 WeakPolarHBondContact CE1-SG 3.23Å; Y219-C229 HydrophobicContact CE2-CB 3.73Å; Y219-C229 HydrophobicContact CG-CB 3.68Å
220T85Confident71.9Confident17 Ų1752.2 Ų52.210%0.10425%0.247CC..EExtended strand (participates in β ladder)trans-77.1152162.965.70000109.9L163 P166 R222 N223 A224L163-T220 CarbonylContact O-C 3.6Å; L163-T220 WeakPolarHBondContact O-CA 3.34Å; P166-T220 HydrophobicContact CB-CG2 4.01Å; T220-R222 PolarHBondContact O-N 3.46Å; T220-N223 PolarHBondContact O-N 2.93Å; T220-N223 VanDerWaalsContact OG1-CB 3.23Å; T220-N223 WeakPolarHBondContact OG1-CB 3.5Å; T220-N223 PolarHBondContact OG1-N 3.18Å; T220-N223 PolarHBondContact OG1-ND2 3.42Å; T220-N223 PolarHBondContact OG1-OD1 3.2Å; T220-A224 VanDerWaalsContact O-CB 3.29Å; T220-A224 WeakPolarHBondContact O-CB 3.49Å; T220-A224 PolarHBondContact O-N 3.46Å
221F81.9Confident70.9Confident1 Ų151.1 Ų51.10%0.00424%0.24CC..Hα-helixtrans-56.1-38.1174.5-67.8-53.7000111.9M18 P28 Q31 A32 V35 L133 F162 L163 P164 A224 V225M18-F221 HydrophobicContact CE-CZ 4.25Å; P28-F221 HydrophobicContact CB-CE2 4.12Å; Q31-F221 HydrophobicContact CB-CB 3.83Å; Q31-F221 HydrophobicContact CB-CD2 4.25Å; Q31-F221 HydrophobicContact CB-CG 4.09Å; A32-F221 HydrophobicContact CB-CD1 4.3Å; A32-F221 HydrophobicContact CB-CE1 3.75Å; A32-F221 HydrophobicContact CB-CZ 3.96Å; V35-F221 HydrophobicContact CG2-CD1 4.42Å; L133-F221 HydrophobicContact CB-CE1 3.91Å; L133-F221 HydrophobicContact CB-CZ 4.33Å; L133-F221 HydrophobicContact CD2-CD1 4.47Å; L133-F221 HydrophobicContact CD2-CE1 3.93Å; L133-F221 HydrophobicContact CG-CE1 4.23Å; F162-F221 HydrophobicContact CB-CD1 3.84Å; F162-F221 HydrophobicContact CB-CE1 3.57Å; F162-F221 WeakPolarHBondContact O-CE1 3.37Å; F162-F221 VanDerWaalsContact O-CZ 3.28Å; F162-F221 WeakPolarHBondContact O-CZ 3.33Å; L163-F221 PolarHBondContact O-N 2.82Å; P164-F221 HydrophobicContact CB-CD2 4Å; P164-F221 HydrophobicContact CB-CE2 4.02Å; P164-F221 HydrophobicContact CG-CE2 4.28Å; F221-A224 WeakPolarHBondContact O-CB 3.17Å; F221-A224 PolarHBondContact O-N 3.34Å; F221-V225 WeakPolarHBondContact O-CG2 2.99Å; F221-V225 PolarHBondContact O-N 2.97Å
222R77.2Confident70.4Confident120 Ų12047.8 Ų47.845%0.45322%0.223SC..Hα-helixtrans-62.2-53.5175.6-174.3177.5-179.1176.65.6111.9D184 T220 A224 V225 E226D184-R222 IonicContact OD1-NH1 3.82Å; D184-R222 PolarHBondContact OD1-NH1 2.93Å; T220-R222 PolarHBondContact O-N 3.46Å; R222-A224 PolarHBondContact O-N 3.08Å; R222-V225 PolarHBondContact O-N 3.4Å; R222-V225 VanDerWaalsContact O-N 3.13Å; R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.38Å; R222-E226 IonicContact NE-OE1 3.22Å; R222-E226 PolarHBondContact NE-OE1 3.5Å; R222-E226 IonicContact NH2-OE1 3.15Å; R222-E226 WeakPolarHBondContact O-CG 3.23Å; R222-E226 PolarHBondContact O-N 3.45Å
223N76.1Confident69.8Low63 Ų6342 Ų4234%0.33719%0.194SC..Hα-helixtrans-60.7-34.6178.1-69.5-4.2000111.3T220 E226 Q227T220-N223 PolarHBondContact O-N 2.93Å; T220-N223 VanDerWaalsContact OG1-CB 3.23Å; T220-N223 WeakPolarHBondContact OG1-CB 3.5Å; T220-N223 PolarHBondContact OG1-N 3.18Å; T220-N223 PolarHBondContact OG1-ND2 3.42Å; T220-N223 PolarHBondContact OG1-OD1 3.2Å; N223-E226 PolarHBondContact O-N 3.13Å; N223-Q227 VanDerWaalsContact O-CB 3.31Å; N223-Q227 WeakPolarHBondContact O-CB 3.47Å; N223-Q227 PolarHBondContact O-N 3.13Å
224A76.3Confident69.2Low3 Ų338.7 Ų38.73%0.02518%0.179CC..Hα-helixtrans-65.2-39.9177.100000113.3V35 F162 T220 F221 R222 L228V35-A224 HydrophobicContact CG1-CB 4.21Å; V35-A224 HydrophobicContact CG2-CB 4.22Å; F162-A224 HydrophobicContact CD1-CB 3.32Å; F162-A224 HydrophobicContact CE1-CB 3.28Å; T220-A224 VanDerWaalsContact O-CB 3.29Å; T220-A224 WeakPolarHBondContact O-CB 3.49Å; T220-A224 PolarHBondContact O-N 3.46Å; F221-A224 WeakPolarHBondContact O-CB 3.17Å; F221-A224 PolarHBondContact O-N 3.34Å; R222-A224 PolarHBondContact O-N 3.08Å; A224-L228 WeakPolarHBondContact O-CA 3.46Å; A224-L228 PolarHBondContact O-N 3.28Å; A224-L228 VanDerWaalsContact O-N 3.09Å
225V74.6Confident68.8Low17 Ų1745 Ų4510%0.10321%0.208CC..Hα-helixtrans-68.2-47.3174.2174.60000110.5V35 K38 F221 R222 L228 W501V35-V225 HydrophobicContact CG2-CG2 3.43Å; V35-V225 VanDerWaalsContact CG2-CG2 3.43Å; K38-V225 HydrophobicContact CD-CG1 4.12Å; F221-V225 WeakPolarHBondContact O-CG2 2.99Å; F221-V225 PolarHBondContact O-N 2.97Å; R222-V225 PolarHBondContact O-N 3.4Å; R222-V225 VanDerWaalsContact O-N 3.13Å; V225-L228 WeakPolarHBondContact O-CD2 3.14Å; V225-W501 HydrophobicContact CG1-CD2 3.53Å; V225-W501 HydrophobicContact CG1-CE3 3.93Å; V225-W501 HydrophobicContact CG1-CG 3.78Å; V225-W501 HydrophobicContact CG1-CH2 4.44Å; V225-W501 HydrophobicContact CG1-CZ2 4.17Å; V225-W501 HydrophobicContact CG1-CZ3 4.36Å; V225-W501 WeakPolarHBondContact O-CZ3 3.5Å
226E67.8Low68.3Low50 Ų5048.8 Ų48.823%0.23422%0.218CC..Hα-helixtrans-70.5-48.4-172.9-70175.4-173.100112.6R222 N223 W501R222-E226 WeakPolarHBondContact CG-OE1 3.34Å; R222-E226 IonicContact CZ-OE1 3.38Å; R222-E226 IonicContact NE-OE1 3.22Å; R222-E226 PolarHBondContact NE-OE1 3.5Å; R222-E226 IonicContact NH2-OE1 3.15Å; R222-E226 WeakPolarHBondContact O-CG 3.23Å; R222-E226 PolarHBondContact O-N 3.45Å; N223-E226 PolarHBondContact O-N 3.13Å; E226-W501 HydrophobicContact CG-CE3 4.37Å
227Q63.5Low68.1Low63 Ų6351.4 Ų51.429%0.29422%0.222SC..Hα-helixtrans-92.4-6.6-176.4-60.1-176.21000112.8N223 C229N223-Q227 VanDerWaalsContact O-CB 3.31Å; N223-Q227 WeakPolarHBondContact O-CB 3.47Å; N223-Q227 PolarHBondContact O-N 3.13Å; Q227-C229 VanDerWaalsContact C-N 3.28Å; Q227-C229 WeakPolarHBondContact CB-SG 2.99Å; Q227-C229 PolarHBondContact O-N 3.14Å; Q227-C229 PolarHBondContact OE1-SG 3.35Å
228L64.1Low68.4Low19 Ų1954 Ų5410%0.09924%0.24CC..  trans49.550.8-172.8-64.7-171.3000110.5A224 V225 M230 F231 P473 Q478A224-L228 WeakPolarHBondContact O-CA 3.46Å; A224-L228 PolarHBondContact O-N 3.28Å; A224-L228 VanDerWaalsContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CD2 3.14Å; L228-M230 VanDerWaalsContact C-N 3.25Å; L228-M230 PolarHBondContact O-N 2.97Å; L228-F231 HydrophobicContact CB-CD2 3.63Å; L228-F231 HydrophobicContact CB-CE2 3.71Å; L228-F231 HydrophobicContact CD1-CE2 4.14Å; L228-F231 HydrophobicContact CD2-CE2 4.08Å; L228-F231 HydrophobicContact CG-CE2 4.21Å; L228-F231 WeakPolarHBondContact O-CD2 3.48Å; L228-F231 PolarHBondContact O-N 3.28Å; L228-P473 HydrophobicContact CB-CG 3.86Å; L228-P473 HydrophobicContact CD1-CB 3.96Å; L228-P473 HydrophobicContact CD1-CG 3.66Å; L228-P473 HydrophobicContact CG-CG 3.79Å; L228-Q478 HydrophobicContact CD1-CG 4.24Å; L228-Q478 VanDerWaalsContact CD1-NE2 3.33Å
229C53Low68.5Low0 Ų060.6 Ų60.60%027%0.273CS..G310 helixtrans-64.2-24.6-171.7-720000114.8Y219 Q227 F231 K232Y219-C229 HydrophobicContact CD1-CB 3.54Å; Y219-C229 WeakPolarHBondContact CD1-SG 3.01Å; Y219-C229 HydrophobicContact CD2-CB 3.78Å; Y219-C229 HydrophobicContact CE1-CB 3.52Å; Y219-C229 WeakPolarHBondContact CE1-SG 3.23Å; Y219-C229 HydrophobicContact CE2-CB 3.73Å; Y219-C229 HydrophobicContact CG-CB 3.68Å; Q227-C229 VanDerWaalsContact C-N 3.28Å; Q227-C229 WeakPolarHBondContact CB-SG 2.99Å; Q227-C229 PolarHBondContact O-N 3.14Å; Q227-C229 PolarHBondContact OE1-SG 3.35Å; C229-F231 PolarHBondContact O-N 3.5Å; C229-K232 PolarHBondContact O-N 3.1Å
230M55.3Low68.9Low3 Ų362.1 Ų62.12%0.01529%0.29CS..G310 helixtrans-58-15.1177.4-72.5-175.4169.700114.3V35 F39 V131 L133 F162 L228V35-M230 HydrophobicContact CB-CE 4.39Å; V35-M230 HydrophobicContact CG1-CE 3.1Å; V35-M230 HydrophobicContact CG1-CG 4.49Å; V35-M230 HydrophobicContact CG1-SD 3.49Å; V35-M230 WeakPolarHBondContact CG1-SD 3.36Å; F39-M230 HydrophobicContact CB-SD 3.86Å; F39-M230 HydrophobicContact CD2-CB 3.5Å; F39-M230 HydrophobicContact CD2-CG 4.25Å; F39-M230 HydrophobicContact CD2-SD 3.81Å; F39-M230 HydrophobicContact CE2-CB 3.83Å; F39-M230 HydrophobicContact CG-SD 3.97Å; V131-M230 HydrophobicContact CG1-CE 3.57Å; V131-M230 HydrophobicContact CG1-SD 4.42Å; L133-M230 HydrophobicContact CD1-CE 4.4Å; L133-M230 HydrophobicContact CD2-CE 4.07Å; L133-M230 HydrophobicContact CG-CE 4.36Å; F162-M230 HydrophobicContact CD1-CE 4.01Å; F162-M230 HydrophobicContact CD2-CE 3.42Å; F162-M230 VanDerWaalsContact CD2-CE 3.42Å; F162-M230 HydrophobicContact CE1-CE 3.9Å; F162-M230 HydrophobicContact CE1-CG 3.83Å; F162-M230 HydrophobicContact CE2-CE 3.32Å; F162-M230 HydrophobicContact CE2-CG 3.64Å; F162-M230 HydrophobicContact CE2-SD 4.37Å; F162-M230 HydrophobicContact CG-CE 3.79Å; F162-M230 HydrophobicContact CZ-CB 4.28Å; F162-M230 HydrophobicContact CZ-CE 3.58Å; F162-M230 HydrophobicContact CZ-CG 3.16Å; F162-M230 HydrophobicContact CZ-SD 4.28Å; L228-M230 VanDerWaalsContact C-N 3.25Å; L228-M230 PolarHBondContact O-N 2.97Å
231F55.2Low69.2Low21 Ų2162.2 Ų62.29%0.09229%0.289CS..G310 helixtrans-97.9-13.5-174.9-54.1-78.5000114.4F39 R42 L228 C229 R233 I234 E235F39-F231 HydrophobicContact CB-CZ 4.45Å; F39-F231 HydrophobicContact CD2-CD1 4.05Å; F39-F231 AromaticContact CD2-CE1 3.45Å; F39-F231 HydrophobicContact CD2-CE1 3.45Å; F39-F231 VanDerWaalsContact CD2-CE1 3.45Å; F39-F231 HydrophobicContact CD2-CE2 4.39Å; F39-F231 AromaticContact CD2-CZ 3.69Å; F39-F231 HydrophobicContact CD2-CZ 3.69Å; F39-F231 AromaticContact CE2-CD1 3.83Å; F39-F231 HydrophobicContact CE2-CD1 3.83Å; F39-F231 AromaticContact CE2-CE1 3.62Å; F39-F231 HydrophobicContact CE2-CE1 3.62Å; F39-F231 HydrophobicContact CE2-CZ 4.31Å; F39-F231 HydrophobicContact CG-CE1 4.32Å; F39-F231 HydrophobicContact CG-CZ 4.41Å; R42-F231 HydrophobicContact CB-CE1 3.89Å; R42-F231 HydrophobicContact CB-CZ 3.76Å; R42-F231 HydrophobicContact CG-CE1 4.11Å; R42-F231 HydrophobicContact CG-CZ 4.18Å; L228-F231 HydrophobicContact CB-CD2 3.63Å; L228-F231 HydrophobicContact CB-CE2 3.71Å; L228-F231 HydrophobicContact CD1-CE2 4.14Å; L228-F231 HydrophobicContact CD2-CE2 4.08Å; L228-F231 HydrophobicContact CG-CE2 4.21Å; L228-F231 WeakPolarHBondContact O-CD2 3.48Å; L228-F231 PolarHBondContact O-N 3.28Å; C229-F231 PolarHBondContact O-N 3.5Å; F231-R233 PolarHBondContact O-N 2.78Å; F231-I234 PolarHBondContact O-N 3.16Å; F231-E235 WeakPolarHBondContact O-CG 3.31Å; F231-E235 PolarHBondContact O-N 3.42Å; F231-E235 VanDerWaalsContact O-N 3.13Å
232K57.5Low69.7Low99 Ų9966.6 Ų66.643%0.4332%0.317SS..G310 helixtrans-56.7-42.8-176.4-74-175.1178.8177.20112.8C229C229-K232 PolarHBondContact O-N 3.1Å
233R52.9Low70.5Confident58 Ų5861.4 Ų61.422%0.21930%0.299CS..G310 helixtrans-77.9-20.6177.6-77.2-153.8175.5-153-4.1114.5R127 T158 D210 E217 F231 E235R127-R233 PolarHBondContact NH1-O 2.83Å; T158-R233 VanDerWaalsContact CB-NH1 3.3Å; D210-R233 IonicContact OD2-NH2 2.61Å; D210-R233 PolarHBondContact OD2-NH2 3.02Å; E217-R233 VanDerWaalsContact CD-CZ 3.47Å; E217-R233 IonicContact OE1-CZ 2.87Å; E217-R233 IonicContact OE1-NE 3.98Å; E217-R233 PolarHBondContact OE1-NE 2.94Å; E217-R233 IonicContact OE1-NH2 2.68Å; E217-R233 PolarHBondContact OE1-NH2 3.09Å; E217-R233 IonicContact OE2-CZ 2.94Å; E217-R233 VanDerWaalsContact OE2-CZ 3.23Å; E217-R233 IonicContact OE2-NE 2.62Å; E217-R233 PolarHBondContact OE2-NE 3.18Å; E217-R233 IonicContact OE2-NH1 2.64Å; E217-R233 IonicContact OE2-NH2 2.77Å; E217-R233 PolarHBondContact OE2-NH2 3.1Å; E217-R233 VanDerWaalsContact OE2-NH2 3.09Å; F231-R233 PolarHBondContact O-N 2.78Å; R233-E235 VanDerWaalsContact C-N 3.34Å
234I53.9Low71.2Confident27 Ų2763.8 Ų63.814%0.13831%0.308CS..G310 helixtrans-90-4.9-178.9-50.9175.7000111.1L8 F39 F231 R236L8-I234 HydrophobicContact CD1-CD1 4.47Å; F39-I234 HydrophobicContact CE2-CD1 3.66Å; F39-I234 HydrophobicContact CZ-CD1 3.47Å; F39-I234 VanDerWaalsContact CZ-CD1 3.47Å; F231-I234 PolarHBondContact O-N 3.16Å; I234-R236 PolarHBondContact O-N 3.47Å; I234-R236 VanDerWaalsContact O-N 3.16Å
235E62.2Low72.1Confident134 Ų13463.7 Ų63.763%0.62631%0.307SS*.PPolyproline II helixtrans-54.1125.8177.9-72.6-164.4171.200111.7F231 R233 R237F231-E235 WeakPolarHBondContact O-CG 3.31Å; F231-E235 PolarHBondContact O-N 3.42Å; F231-E235 VanDerWaalsContact O-N 3.13Å; R233-E235 VanDerWaalsContact C-N 3.34Å; E235-R237 PolarHBondContact O-N 3.14Å
236R65.4Low73Confident141 Ų14165.1 Ų65.153%0.53232%0.316SS..PPolyproline II helixtrans-65.9121.3178.1-73.5-175.6174.4-174.50.1108.6I234 P238I234-R236 PolarHBondContact O-N 3.47Å; I234-R236 VanDerWaalsContact O-N 3.16Å; R236-P238 WeakPolarHBondContact O-CD 3.37Å
237R70.4Confident74.2Confident188 Ų18864.4 Ų64.471%0.70931%0.314SS*.PPolyproline II helixtrans-52.7125.2171.8-71.5-176.7174.8175.9-1109.5E235E235-R237 PolarHBondContact O-N 3.14Å
238P79.5Confident75.4Confident70 Ų7064.3 Ų64.346%0.45533%0.329SS..PPolyproline II helixtrans-58.4143.9178.8-24.132.7000111.2R236 A240 F258R236-P238 WeakPolarHBondContact O-CD 3.37Å; P238-A240 PolarHBondContact O-N 3.22Å; P238-F258 HydrophobicContact CB-CB 4.32Å; P238-F258 HydrophobicContact CB-CD1 4.21Å; P238-F258 WeakPolarHBondContact O-CD1 3.29Å
239M84.4Confident76.4Confident156 Ų15669.9 Ų69.977%0.76837%0.37SS*.PPolyproline II helixtrans-65.4123.9178.5-74-71.5-71.400110.6W241M239-W241 PolarHBondContact O-N 2.89Å
240A90.1Very high77.9Confident55 Ų5575.6 Ų75.646%0.45541%0.41SS..PPolyproline II helixtrans-63.1131.2176.100000111.2P238 P242 V256 F258P238-A240 PolarHBondContact O-N 3.22Å; A240-P242 VanDerWaalsContact O-CD 3.28Å; A240-P242 WeakPolarHBondContact O-CD 3.28Å; A240-V256 HydrophobicContact CB-CG1 3.59Å; A240-F258 HydrophobicContact CB-CD1 4.5Å; A240-F258 HydrophobicContact CB-CE1 3.69Å; A240-F258 HydrophobicContact CB-CZ 4.02Å
241W92.8Very high79.6Confident19 Ų1979.4 Ų79.47%0.07243%0.43CS..EExtended strand (participates in β ladder)trans-110.489.5173.518076.7000110M239 C243 G257 K332 F334 Y389 A390 Y391M239-W241 PolarHBondContact O-N 2.89Å; W241-C243 HydrophobicContact CE3-CB 3.99Å; W241-C243 HydrophobicContact CH2-CB 3.79Å; W241-C243 VanDerWaalsContact CH2-SG 3.58Å; W241-C243 HydrophobicContact CZ2-CB 4.35Å; W241-C243 HydrophobicContact CZ3-CB 3.6Å; W241-C243 PolarHBondContact O-N 3.14Å; W241-G257 WeakPolarHBondContact CB-O 3.34Å; W241-G257 PolarHBondContact N-O 2.98Å; W241-G257 PolarHBondContact O-N 3.46Å; W241-K332 HydrophobicContact CH2-CG 4.43Å; W241-K332 HydrophobicContact CZ2-CD 3.86Å; W241-K332 HydrophobicContact CZ2-CG 3.66Å; W241-K332 VanDerWaalsContact NE1-CE 3.31Å; W241-K332 PolarHBondContact O-NZ 2.86Å; W241-F334 HydrophobicContact CH2-CB 4.4Å; W241-Y389 HydrophobicContact CE3-CE2 4.24Å; W241-Y389 AromaticContact CH2-CD2 3.61Å; W241-Y389 HydrophobicContact CH2-CD2 3.61Å; W241-Y389 AromaticContact CH2-CE2 3.37Å; W241-Y389 HydrophobicContact CH2-CE2 3.37Å; W241-Y389 HydrophobicContact CZ2-CD2 4.26Å; W241-Y389 AromaticContact CZ2-CE2 3.74Å; W241-Y389 HydrophobicContact CZ2-CE2 3.74Å; W241-Y389 HydrophobicContact CZ3-CD2 4.05Å; W241-Y389 AromaticContact CZ3-CE2 3.64Å; W241-Y389 HydrophobicContact CZ3-CE2 3.64Å; W241-A390 WeakPolarHBondContact CZ2-O 3.24Å; W241-Y391 HydrophobicContact CB-CE2 4.48Å; W241-Y391 AromaticContact CD1-CD2 3.54Å; W241-Y391 AromaticContact CD1-CE2 3.22Å; W241-Y391 AromaticContact CD1-CZ 3.82Å; W241-Y391 HydrophobicContact CD2-CD2 4.33Å; W241-Y391 HydrophobicContact CD2-CE2 4.46Å; W241-Y391 AromaticContact CE2-CD2 3.8Å; W241-Y391 HydrophobicContact CG-CD2 4.18Å; W241-Y391 AromaticContact CG-CE2 3.85Å; W241-Y391 HydrophobicContact CG-CE2 3.85Å; W241-Y391 HydrophobicContact CZ2-CD2 4.49Å; W241-Y391 AromaticContact NE1-CD2 3.27Å; W241-Y391 VanDerWaalsContact NE1-CD2 3.27Å; W241-Y391 AromaticContact NE1-CE2 3.51Å; W241-Y391 AromaticContact NE1-CG 3.84Å; W241-Y391 PolarHBondContact NE1-O 2.89Å
242P92.6Very high81.3Confident92 Ų9282 Ų8260%0.59745%0.451SS*.EExtended strand (participates in β ladder)trans-76.3113.6-174.129.1-35.4000113A240 I255 K332A240-P242 VanDerWaalsContact O-CD 3.28Å; A240-P242 WeakPolarHBondContact O-CD 3.28Å; P242-I255 CarbonylContact C-O 3.58Å; P242-I255 WeakPolarHBondContact CA-O 3.47Å; P242-K332 VanDerWaalsContact C-CE 3.46Å; P242-K332 WeakPolarHBondContact O-CE 3.36Å; P242-K332 PolarHBondContact O-NZ 3.11Å
243C92.3Very high83Confident12 Ų1277.7 Ų77.78%0.08143%0.432CS..EExtended strand (participates in β ladder)trans-127.8172.7-175.6-159.40000111.8W241 I255 K332W241-C243 HydrophobicContact CE3-CB 3.99Å; W241-C243 HydrophobicContact CH2-CB 3.79Å; W241-C243 VanDerWaalsContact CH2-SG 3.58Å; W241-C243 HydrophobicContact CZ2-CB 4.35Å; W241-C243 HydrophobicContact CZ3-CB 3.6Å; W241-C243 PolarHBondContact O-N 3.14Å; C243-I255 HydrophobicContact CB-CD1 4.06Å; C243-I255 HydrophobicContact CB-CG1 3.89Å; C243-I255 PolarHBondContact N-O 3.47Å; C243-I255 VanDerWaalsContact O-CG1 3.31Å; C243-I255 WeakPolarHBondContact O-CG1 3.1Å; C243-I255 PolarHBondContact O-N 3.23Å; C243-K332 VanDerWaalsContact CA-CE 3.42Å; C243-K332 HydrophobicContact CB-CD 4.46Å; C243-K332 WeakPolarHBondContact SG-CE 3.49Å
244Q92.4Very high84.9Confident113 Ų11379.5 Ų79.553%0.52844%0.439SS..EExtended strand (participates in β ladder)trans-109.5128.5164.7-67.4178.8-12.900109I253 R254Q244-I253 CarbonylContact C-O 3.6Å; Q244-I253 WeakPolarHBondContact CA-O 3.4Å; Q244-R254 HydrophobicContact CG-CG 4.48Å
245L93.6Very high86.8Confident1 Ų178.3 Ų78.31%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-83.6117.6167.7169.766.4000107.9S252 I253 I255 F334 V336 M371 L374L245-S252 CarbonylContact O-C 3.44Å; L245-S252 WeakPolarHBondContact O-CA 3.35Å; L245-I253 HydrophobicContact CB-CB 4.27Å; L245-I253 HydrophobicContact CD2-CB 4.5Å; L245-I253 HydrophobicContact CD2-CD1 4.27Å; L245-I253 PolarHBondContact N-O 2.93Å; L245-I253 PolarHBondContact O-N 3.5Å; L245-I255 HydrophobicContact CB-CD1 3.92Å; L245-I255 HydrophobicContact CB-CG1 4.15Å; L245-I255 HydrophobicContact CB-CG2 3.81Å; L245-I255 HydrophobicContact CD2-CG2 4.49Å; L245-F334 CarbonylContact C-O 3.6Å; L245-F334 VanDerWaalsContact CA-O 3.23Å; L245-F334 WeakPolarHBondContact CA-O 3.4Å; L245-F334 HydrophobicContact CB-CD1 4.23Å; L245-F334 HydrophobicContact CD1-CD1 3.47Å; L245-F334 VanDerWaalsContact CD1-CD1 3.47Å; L245-F334 HydrophobicContact CD1-CE1 3.76Å; L245-F334 HydrophobicContact CG-CD1 4.41Å; L245-V336 HydrophobicContact CD1-CG2 3.66Å; L245-M371 HydrophobicContact CD2-CE 4.31Å; L245-M371 HydrophobicContact CD2-SD 3.87Å; L245-L374 HydrophobicContact CD2-CD2 3.95Å
246T93.9Very high88.4Confident46 Ų4672.9 Ų72.928%0.28241%0.409SS..EExtended strand (participates in β ladder)trans-11012717957.20000111L251 F334 A335 V336T246-L251 WeakPolarHBondContact CA-O 3.19Å; T246-F334 PolarHBondContact N-O 3.33Å; T246-A335 WeakPolarHBondContact OG1-CA 3.38Å; T246-A335 WeakPolarHBondContact OG1-CB 3.45Å; T246-V336 PolarHBondContact O-N 2.96Å
247I92.4Very high89.7Confident36 Ų3666.2 Ų66.219%0.18538%0.384CS..EExtended strand (participates in β ladder)trans-115.3110.7174.8-61.7167.9000107.6L251 V336 L374I247-L251 HydrophobicContact CB-CB 4.24Å; I247-L251 HydrophobicContact CB-CD2 4.16Å; I247-L251 HydrophobicContact CB-CG 4.5Å; I247-L251 HydrophobicContact CD1-CD2 3.9Å; I247-L251 PolarHBondContact N-O 3.38Å; I247-L251 PolarHBondContact O-N 3.47Å; I247-V336 HydrophobicContact CD1-CG2 4.48Å; I247-V336 HydrophobicContact CG1-CB 4.17Å; I247-V336 HydrophobicContact CG1-CG2 3.65Å; I247-L374 HydrophobicContact CD1-CD1 4.39Å; I247-L374 HydrophobicContact CD1-CD2 3.78Å
248G89.1Confident90.8Very high61 Ų6160.2 Ų60.263%0.62936%0.363SS*.THydrogen-bonded Turntrans60.1-143.4-169.700000111.6
249S84.5Confident91.3Very high136 Ų13660.7 Ų60.795%0.95136%0.358SS*.THydrogen-bonded Turntrans-105.5-11.1-178.1-52.90000114.3
250S85.4Confident91.5Very high119 Ų11955.5 Ų55.583%0.83234%0.34SS*.THydrogen-bonded Turntrans-109-25.4-170.552.60000114.3
251L90.3Very high91.4Very high83 Ų8357.2 Ų57.244%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-108.8116.2-175.1-175.564.9000110.7T246 I247 I253T246-L251 WeakPolarHBondContact CA-O 3.19Å; I247-L251 HydrophobicContact CB-CB 4.24Å; I247-L251 HydrophobicContact CB-CD2 4.16Å; I247-L251 HydrophobicContact CB-CG 4.5Å; I247-L251 HydrophobicContact CD1-CD2 3.9Å; I247-L251 PolarHBondContact N-O 3.38Å; I247-L251 PolarHBondContact O-N 3.47Å; L251-I253 HydrophobicContact CD1-CG1 4.44Å; L251-I253 HydrophobicContact CD2-CD1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.49Å; L251-I253 HydrophobicContact CG-CG1 4.37Å
252S91.6Very high91.1Very high77 Ų7759.4 Ų59.454%0.53836%0.36SS..EExtended strand (participates in β ladder)trans-124.2122.8174.561.60000110.3L245L245-S252 CarbonylContact O-C 3.44Å; L245-S252 WeakPolarHBondContact O-CA 3.35Å
253I93.1Very high90.7Very high7 Ų760.3 Ų60.34%0.03636%0.357CS..EExtended strand (participates in β ladder)trans-114.7130.8-179.7-58.3171.2000108.2Q244 L245 L251 I255 A367 A370Q244-I253 CarbonylContact C-O 3.6Å; Q244-I253 WeakPolarHBondContact CA-O 3.4Å; L245-I253 HydrophobicContact CB-CB 4.27Å; L245-I253 HydrophobicContact CD2-CB 4.5Å; L245-I253 HydrophobicContact CD2-CD1 4.27Å; L245-I253 PolarHBondContact N-O 2.93Å; L245-I253 PolarHBondContact O-N 3.5Å; L251-I253 HydrophobicContact CD1-CG1 4.44Å; L251-I253 HydrophobicContact CD2-CD1 4.44Å; L251-I253 HydrophobicContact CG-CD1 4.49Å; L251-I253 HydrophobicContact CG-CG1 4.37Å; I253-I255 HydrophobicContact CG2-CG2 4.17Å; I253-A367 HydrophobicContact CG2-CB 3.8Å; I253-A370 HydrophobicContact CD1-CB 3.81Å; I253-A370 HydrophobicContact CG1-CB 4.18Å
254R93.8Very high90.2Very high96 Ų9665 Ų6536%0.36238%0.377SS..EExtended strand (participates in β ladder)trans-77.2126.5175.2-66.2-165.6-64.9150.7-8.2110.2Q244 A361 D363 D364Q244-R254 HydrophobicContact CG-CG 4.48Å; R254-A361 HydrophobicContact CB-CB 3.86Å; R254-A361 PolarHBondContact O-N 3.42Å; R254-A361 VanDerWaalsContact O-N 3.1Å; R254-D363 IonicContact CZ-OD2 3.25Å; R254-D363 IonicContact NH1-OD1 2.88Å; R254-D363 IonicContact NH1-OD2 2.84Å; R254-D363 PolarHBondContact NH1-OD2 3.18Å; R254-D363 IonicContact NH2-OD2 3.63Å; R254-D363 PolarHBondContact NH2-OD2 3.39Å; R254-D364 IonicContact CZ-OD2 3.08Å; R254-D364 VanDerWaalsContact CZ-OD2 3.25Å; R254-D364 IonicContact NE-OD2 2.66Å; R254-D364 PolarHBondContact NE-OD2 3Å; R254-D364 VanDerWaalsContact NH2-CB 3.34Å; R254-D364 IonicContact NH2-OD2 3.52Å; R254-D364 PolarHBondContact NH2-OD2 3.46Å
255I94Very high89.7Confident2 Ų266 Ų661%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-131.4160.9-175.359.4159.6000111.6P242 C243 L245 I253 F334 I358 F359 M371P242-I255 CarbonylContact C-O 3.58Å; P242-I255 WeakPolarHBondContact CA-O 3.47Å; C243-I255 HydrophobicContact CB-CD1 4.06Å; C243-I255 HydrophobicContact CB-CG1 3.89Å; C243-I255 PolarHBondContact N-O 3.47Å; C243-I255 VanDerWaalsContact O-CG1 3.31Å; C243-I255 WeakPolarHBondContact O-CG1 3.1Å; C243-I255 PolarHBondContact O-N 3.23Å; L245-I255 HydrophobicContact CB-CD1 3.92Å; L245-I255 HydrophobicContact CB-CG1 4.15Å; L245-I255 HydrophobicContact CB-CG2 3.81Å; L245-I255 HydrophobicContact CD2-CG2 4.49Å; I253-I255 HydrophobicContact CG2-CG2 4.17Å; I255-F334 HydrophobicContact CD1-CB 4Å; I255-F334 HydrophobicContact CD1-CD1 3.52Å; I255-F334 HydrophobicContact CD1-CE1 4.3Å; I255-F334 HydrophobicContact CD1-CG 3.93Å; I255-I358 HydrophobicContact CB-CG2 3.81Å; I255-I358 HydrophobicContact CD1-CG2 3.52Å; I255-I358 HydrophobicContact CG1-CG2 4.22Å; I255-I358 HydrophobicContact CG2-CG2 4.13Å; I255-F359 CarbonylContact C-O 3.57Å; I255-F359 VanDerWaalsContact CA-O 3.24Å; I255-F359 WeakPolarHBondContact CA-O 3.48Å; I255-F359 WeakPolarHBondContact CB-O 3.15Å; I255-M371 HydrophobicContact CG2-SD 4.22Å
256V94.4Very high89Confident21 Ų2169.3 Ų69.313%0.12740%0.397CS..EExtended strand (participates in β ladder)trans-130.9121.7172.8-176.40000108.6A240 F258 F359 A361A240-V256 HydrophobicContact CB-CG1 3.59Å; V256-F258 HydrophobicContact CB-CE2 4.12Å; V256-F258 HydrophobicContact CB-CZ 4.48Å; V256-F258 HydrophobicContact CG1-CD2 4.27Å; V256-F258 HydrophobicContact CG1-CE1 4.27Å; V256-F258 HydrophobicContact CG1-CE2 3.55Å; V256-F258 HydrophobicContact CG1-CZ 3.56Å; V256-F359 PolarHBondContact N-O 3.15Å; V256-F359 PolarHBondContact O-N 2.86Å; V256-A361 HydrophobicContact CG2-CB 4.33Å
257G92.9Very high88.1Confident1 Ų173.7 Ų73.71%0.0141%0.413CS..EExtended strand (participates in β ladder)trans-91139.8173.600000112W241 K357W241-G257 WeakPolarHBondContact CB-O 3.34Å; W241-G257 PolarHBondContact N-O 2.98Å; W241-G257 PolarHBondContact O-N 3.46Å; G257-K357 CarbonylContact C-O 3.6Å; G257-K357 WeakPolarHBondContact CA-O 3.2Å
258F93.1Very high87.4Confident61 Ų6177.9 Ų77.927%0.26843%0.429SS..EExtended strand (participates in β ladder)trans-125.7137.2170-61-87.4000109.3P238 A240 V256 A260 V356 K357 F359P238-F258 HydrophobicContact CB-CB 4.32Å; P238-F258 HydrophobicContact CB-CD1 4.21Å; P238-F258 WeakPolarHBondContact O-CD1 3.29Å; A240-F258 HydrophobicContact CB-CD1 4.5Å; A240-F258 HydrophobicContact CB-CE1 3.69Å; A240-F258 HydrophobicContact CB-CZ 4.02Å; V256-F258 HydrophobicContact CB-CE2 4.12Å; V256-F258 HydrophobicContact CB-CZ 4.48Å; V256-F258 HydrophobicContact CG1-CD2 4.27Å; V256-F258 HydrophobicContact CG1-CE1 4.27Å; V256-F258 HydrophobicContact CG1-CE2 3.55Å; V256-F258 HydrophobicContact CG1-CZ 3.56Å; F258-A260 PolarHBondContact O-N 3.28Å; F258-V356 CarbonylContact O-C 3.46Å; F258-V356 WeakPolarHBondContact O-CA 3.42Å; F258-K357 PolarHBondContact N-O 3.07Å; F258-K357 PolarHBondContact O-N 2.85Å; F258-F359 AromaticContact CD2-CD2 3.64Å; F258-F359 HydrophobicContact CD2-CD2 3.64Å; F258-F359 HydrophobicContact CD2-CE2 4.06Å; F258-F359 HydrophobicContact CE2-CD2 4.04Å
259K91.6Very high86.8Confident80 Ų8082.9 Ų82.935%0.34844%0.438SS..EExtended strand (participates in β ladder)trans-72117.2173.9-60-174.1-176.1-165.20108.3
260A87.3Confident86.9Confident48 Ų4886.1 Ų86.140%0.39743%0.43SS..EExtended strand (participates in β ladder)trans-92.3-39.2-18000000111.7F258 V355 K357F258-A260 PolarHBondContact O-N 3.28Å; A260-V355 PolarHBondContact N-O 2.81Å; A260-K357 HydrophobicContact CB-CB 4.3Å; A260-K357 HydrophobicContact CB-CD 3.68Å; A260-K357 HydrophobicContact CB-CG 3.66Å
261V87.9Confident87Confident90 Ų9085.5 Ų85.555%0.54542%0.416SS..EExtended strand (participates in β ladder)trans-126.2133.1174.8-176.20000107.7Q354 V355V261-Q354 VanDerWaalsContact O-CA 3.23Å; V261-Q354 WeakPolarHBondContact O-CA 3.47Å; V261-V355 HydrophobicContact CB-CB 4Å; V261-V355 HydrophobicContact CB-CG2 4.1Å; V261-V355 HydrophobicContact CG2-CB 4.21Å; V261-V355 HydrophobicContact CG2-CG2 4.37Å; V261-V355 PolarHBondContact N-O 3.16Å; V261-V355 PolarHBondContact O-N 3.26Å
262T86.6Confident86.9Confident65 Ų6586.5 Ų86.540%0.39943%0.426SS..EExtended strand (participates in β ladder)trans-152140.1172.6-66.70000107.7E264 Q354T262-E264 PolarHBondContact O-N 2.7Å; T262-E264 VanDerWaalsContact O-N 3.12Å; T262-Q354 HydrophobicContact CG2-CG 4.03Å; T262-Q354 WeakPolarHBondContact OG1-CG 3.48Å
263E84.9Confident86.9Confident112 Ų11286 Ų8652%0.52342%0.419SS..  trans-57.8114.7171.5-170.8-169.817300110K265E263-K265 HydrophobicContact CG-CG 4.43Å; E263-K265 VanDerWaalsContact OE1-CE 3.26Å; E263-K265 WeakPolarHBondContact OE1-CE 3.44Å; E263-K265 IonicContact OE1-NZ 3.68Å; E263-K265 WeakPolarHBondContact OE2-CE 3.15Å; E263-K265 IonicContact OE2-NZ 3.04Å; E263-K265 PolarHBondContact OE2-NZ 3.02Å
264E81.6Confident86.8Confident109 Ų10988.1 Ų88.151%0.50943%0.431SS..  trans-70.7132.6172.8-172.3-179.6-16600108.9R42 T262 F477R42-E264 IonicContact NH2-OE1 3.63Å; T262-E264 PolarHBondContact O-N 2.7Å; T262-E264 VanDerWaalsContact O-N 3.12Å; E264-F477 HydrophobicContact CB-CE2 3.83Å; E264-F477 HydrophobicContact CB-CZ 4.4Å; E264-F477 HydrophobicContact CG-CD2 4.38Å; E264-F477 HydrophobicContact CG-CE2 3.53Å; E264-F477 HydrophobicContact CG-CZ 4.2Å; E264-F477 WeakPolarHBondContact O-CZ 3.39Å; E264-F477 WeakPolarHBondContact OE2-CE2 3.44Å
265K81.8Confident86.6Confident135 Ų13587.7 Ų87.759%0.58745%0.448SS*.  trans-129145.7178.9-63.3-172.8-178.4-170.80109.6E263 K267E263-K265 HydrophobicContact CG-CG 4.43Å; E263-K265 VanDerWaalsContact OE1-CE 3.26Å; E263-K265 WeakPolarHBondContact OE1-CE 3.44Å; E263-K265 IonicContact OE1-NZ 3.68Å; E263-K265 WeakPolarHBondContact OE2-CE 3.15Å; E263-K265 IonicContact OE2-NZ 3.04Å; E263-K265 PolarHBondContact OE2-NZ 3.02Å; K265-K267 PolarHBondContact O-N 2.94Å
266L78.3Confident86.4Confident70 Ų7096.2 Ų96.237%0.36649%0.487SS..  trans-60.4128.5170.6-67.4173.6000109.2K268 F477 F481L266-K268 VanDerWaalsContact C-N 3.29Å; L266-F477 HydrophobicContact CD1-CD1 4.29Å; L266-F477 HydrophobicContact CD1-CE1 4.3Å; L266-F477 HydrophobicContact CD2-CD1 3.55Å; L266-F477 HydrophobicContact CD2-CE1 3.8Å; L266-F477 HydrophobicContact CD2-CG 4.28Å; L266-F477 HydrophobicContact CG-CD1 3.76Å; L266-F477 HydrophobicContact CG-CE1 3.57Å; L266-F481 HydrophobicContact CD2-CE1 4.23Å; L266-F481 HydrophobicContact CD2-CZ 4.31Å
267K75.3Confident86Confident139 Ų13998 Ų9860%0.60450%0.499SS*.SBendtrans-69-31.8177.5-63178.2-168.1158.20111.8A46 K265A46-K267 PolarHBondContact O-NZ 2.98Å; K265-K267 PolarHBondContact O-N 2.94Å
268K78.4Confident85.6Confident123 Ų123103.7 Ų103.754%0.53553%0.529SS..  trans-91.4140.7-179.9-69.5-171.1177.8-1800110.8E47 L266E47-K268 WeakPolarHBondContact OE1-CE 3.4Å; E47-K268 IonicContact OE1-NZ 3.98Å; E47-K268 PolarHBondContact OE1-NZ 3.25Å; L266-K268 VanDerWaalsContact C-N 3.29Å
269M76.3Confident85.3Confident167 Ų167106.9 Ų106.982%0.82354%0.543SS*.  trans-105.9149.4169.5-63-177.267.100108.9I271M269-I271 PolarHBondContact O-N 3.37Å
270W86.8Confident85.1Confident203 Ų203111 Ų11177%0.76956%0.556SS**PPolyproline II helixtrans-61.7121.7170.8-69.8105.7000109.9H480 L484W270-H480 AromaticContact CE2-CE1 3.94Å; W270-H480 AromaticContact CZ2-CE1 3.44Å; W270-H480 VanDerWaalsContact CZ2-CE1 3.44Å; W270-H480 WeakPolarHBondContact CZ2-CE1 3.43Å; W270-L484 HydrophobicContact CH2-CD2 3.83Å
271I86.7Confident85Confident106 Ų106115.1 Ų115.154%0.54457%0.571SS.*PPolyproline II helixtrans-89.3128.9176.2-57.7173.4000107.2M269 V273 R280M269-I271 PolarHBondContact O-N 3.37Å; I271-V273 HydrophobicContact CG2-CG1 4.41Å; I271-V273 PolarHBondContact O-N 2.96Å; I271-R280 HydrophobicContact CG2-CB 4.5Å; I271-R280 HydrophobicContact CG2-CG 3.98Å
272T88.9Confident84.9Confident105 Ų105115.3 Ų115.364%0.64457%0.569SS**PPolyproline II helixtrans-71.9125.2172.3-49.40000109.4V283T272-V283 HydrophobicContact CG2-CG1 4.22Å
273V90.9Very high85Confident66 Ų66115 Ų11540%0.457%0.567SS.*  trans-126.7155.1175.9-62.50000109I271 R280I271-V273 HydrophobicContact CG2-CG1 4.41Å; I271-V273 PolarHBondContact O-N 2.96Å; V273-R280 HydrophobicContact CG1-CB 4.49Å
274D91.6Very high85.1Confident52 Ų52118.7 Ų118.728%0.27858%0.581SS.*  trans-71.3140.4172.216855.7000110.4Q276 T277 N278 K279 D282 V283D274-Q276 VanDerWaalsContact C-N 3.35Å; D274-Q276 PolarHBondContact O-N 3.48Å; D274-Q276 PolarHBondContact OD2-N 3.23Å; D274-T277 WeakPolarHBondContact CB-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD2-CB 3.29Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.43Å; D274-T277 PolarHBondContact OD2-N 2.95Å; D274-T277 PolarHBondContact OD2-OG1 2.96Å; D274-N278 WeakPolarHBondContact O-CA 3.25Å; D274-N278 PolarHBondContact O-N 2.93Å; D274-K279 PolarHBondContact N-O 3.36Å; D274-D282 HydrophobicContact CB-CB 4.31Å; D274-V283 HydrophobicContact CB-CG2 3.93Å
275A88.9Confident85.4Confident87 Ų87124.7 Ų124.772%0.71960%0.6SS**THydrogen-bonded Turntrans-73.8-26-173.400000113.1
276Q89.2Confident85.7Confident180 Ų180126.4 Ų126.484%0.84161%0.61SS**THydrogen-bonded Turntrans-84.7-43.8-179.3-61.3-174.83.800111.2D274D274-Q276 VanDerWaalsContact C-N 3.35Å; D274-Q276 PolarHBondContact O-N 3.48Å; D274-Q276 PolarHBondContact OD2-N 3.23Å
277T87.5Confident86.3Confident60 Ų60126.2 Ų126.237%0.36861%0.611SS.*THydrogen-bonded Turntrans-94.1-19.4-174.259.10000113.5D274 K279 D282D274-T277 WeakPolarHBondContact CB-OG1 3.31Å; D274-T277 WeakPolarHBondContact OD2-CB 3.29Å; D274-T277 WeakPolarHBondContact OD2-CG2 3.43Å; D274-T277 PolarHBondContact OD2-N 2.95Å; D274-T277 PolarHBondContact OD2-OG1 2.96Å; T277-K279 PolarHBondContact O-N 3.01Å; T277-K279 VanDerWaalsContact O-N 3.13Å; T277-K279 PolarHBondContact OG1-N 3.32Å; T277-D282 VanDerWaalsContact CB-OD2 3.28Å; T277-D282 WeakPolarHBondContact CB-OD2 3.47Å; T277-D282 WeakPolarHBondContact CG2-OD2 3.42Å; T277-D282 PolarHBondContact OG1-OD2 3.2Å
278N84.4Confident87Confident119 Ų119123 Ų12364%0.63660%0.603SS**  trans53.822.1-170.2-66.7-59.1000113.7D274D274-N278 WeakPolarHBondContact O-CA 3.25Å; D274-N278 PolarHBondContact O-N 2.93Å
279K87.3Confident87.5Confident129 Ų129122.5 Ų122.556%0.56160%0.599SS**  trans-105.2143.1-179.2-72.7175.5-174.2177.50110.6D274 T277 D282D274-K279 PolarHBondContact N-O 3.36Å; T277-K279 PolarHBondContact O-N 3.01Å; T277-K279 VanDerWaalsContact O-N 3.13Å; T277-K279 PolarHBondContact OG1-N 3.32Å; K279-D282 WeakPolarHBondContact CB-OD2 3.45Å
280R85.5Confident88.1Confident166 Ų166117.8 Ų117.863%0.62658%0.581SS**SBendtrans-74-35.8173.9-176.1-173.5174.3-172.1-3.6111.8I271 V273 D282 V283I271-R280 HydrophobicContact CG2-CB 4.5Å; I271-R280 HydrophobicContact CG2-CG 3.98Å; V273-R280 HydrophobicContact CG1-CB 4.49Å; R280-D282 PolarHBondContact O-N 3.31Å; R280-V283 PolarHBondContact O-N 2.87Å
281D85.8Confident88.2Confident134 Ų134112.6 Ų112.672%0.71757%0.568SS**THydrogen-bonded Turntrans-66.9-23.2-171.6-62.4-27000113.2V283D281-V283 VanDerWaalsContact C-N 3.26Å; D281-V283 PolarHBondContact O-N 2.96Å
282D86.9Confident88Confident95 Ų95116.3 Ų116.351%0.50859%0.589SS.*THydrogen-bonded Turntrans-77.6-14.2177-62-30.8000112D274 T277 K279 R280D274-D282 HydrophobicContact CB-CB 4.31Å; T277-D282 VanDerWaalsContact CB-OD2 3.28Å; T277-D282 WeakPolarHBondContact CB-OD2 3.47Å; T277-D282 WeakPolarHBondContact CG2-OD2 3.42Å; T277-D282 PolarHBondContact OG1-OD2 3.2Å; K279-D282 WeakPolarHBondContact CB-OD2 3.45Å; R280-D282 PolarHBondContact O-N 3.31Å
283V88.4Confident88Confident59 Ų59114 Ų11436%0.35857%0.573SS.*  trans-104.7108175.4-175.80000110.1T272 D274 R280 D281T272-V283 HydrophobicContact CG2-CG1 4.22Å; D274-V283 HydrophobicContact CB-CG2 3.93Å; R280-V283 PolarHBondContact O-N 2.87Å; D281-V283 VanDerWaalsContact C-N 3.26Å; D281-V283 PolarHBondContact O-N 2.96Å
284K87.3Confident87.8Confident188 Ų188119 Ų11982%0.81760%0.597SS**  trans-109.2124.5173-66.6179.9-175.2173.20110.1
285R87.3Confident87.5Confident236 Ų236123 Ų12389%0.89162%0.619SS**  trans-91.4107.7174.3-168.2176.372.6-176.33.7109.4
286E88.9Confident87.3Confident171 Ų171125.8 Ų125.880%0.79962%0.617SS**  trans-99.7142.8170-170.4159.1-151.500109.7V288E286-V288 HydrophobicContact CG-CG2 4.36Å
287T90.1Very high87.3Confident65 Ų65120.3 Ų120.340%0.39960%0.596SS.*  trans-128.8113.3177.1-55.10000107Y289T287-Y289 HydrophobicContact CG2-CE1 4.44Å
288V90.4Very high87.3Confident72 Ų72123.4 Ų123.444%0.43661%0.606SS.*  trans-100.3140.6176.9-177.80000107.8E286 E298E286-V288 HydrophobicContact CG-CG2 4.36Å; V288-E298 HydrophobicContact CG1-CB 4.4Å; V288-E298 HydrophobicContact CG1-CG 3.59Å; V288-E298 WeakPolarHBondContact CG1-OE1 3.38Å
289Y89Confident87.6Confident113 Ų113119.3 Ų119.344%0.44359%0.586SS.*EExtended strand (participates in β ladder)trans-108124.1177-63.2-81.1000108T287 V299 K301 I304T287-Y289 HydrophobicContact CG2-CE1 4.44Å; Y289-V299 PolarHBondContact O-N 2.92Å; Y289-K301 HydrophobicContact CD2-CG 4Å; Y289-K301 HydrophobicContact CE2-CD 4.22Å; Y289-K301 HydrophobicContact CE2-CG 3.88Å; Y289-I304 HydrophobicContact CD1-CD1 3.98Å; Y289-I304 HydrophobicContact CD2-CD1 3.46Å; Y289-I304 VanDerWaalsContact CD2-CD1 3.46Å; Y289-I304 HydrophobicContact CE1-CD1 4.5Å; Y289-I304 HydrophobicContact CE2-CD1 4.04Å; Y289-I304 HydrophobicContact CG-CD1 3.42Å; Y289-I304 VanDerWaalsContact CG-CD1 3.42Å
290C88.8Confident87.7Confident67 Ų67119.1 Ų119.145%0.45359%0.586SS.*EExtended strand (participates in β ladder)trans-113.2149.3175.8-59.80000109.7E296 T297C290-E296 HydrophobicContact CB-CB 4.17Å; C290-E296 WeakPolarHBondContact CB-O 3.5Å; C290-E296 PolarHBondContact SG-O 3.25Å; C290-T297 CarbonylContact C-O 3.46Å; C290-T297 VanDerWaalsContact CA-O 3.31Å; C290-T297 WeakPolarHBondContact CA-O 3.36Å
291L87.8Confident87.7Confident94 Ų94117.5 Ų117.549%0.49258%0.584SS.*  trans-63.7145.6166-68.7179.1000109.3D293 T297 V299L291-D293 HydrophobicContact CB-CB 4.39Å; L291-D293 PolarHBondContact O-N 3.28Å; L291-T297 PolarHBondContact N-O 2.97Å; L291-V299 HydrophobicContact CD1-CG2 4.4Å; L291-V299 HydrophobicContact CD2-CG2 3.8Å; L291-V299 HydrophobicContact CG-CG2 3.61Å
292D84.2Confident87.7Confident184 Ų184118.6 Ų118.698%0.98459%0.59SS**SBendtrans-81.254.5172.3-15815000108.9
293D88.6Confident87.7Confident56 Ų56120 Ų12030%0.29960%0.597SS.*SBendtrans-113.1162.4173.972-21.1000110.1L291 N295 E296 T297L291-D293 HydrophobicContact CB-CB 4.39Å; L291-D293 PolarHBondContact O-N 3.28Å; D293-N295 PolarHBondContact O-N 3.26Å; D293-E296 PolarHBondContact O-N 3.28Å; D293-E296 WeakPolarHBondContact OD1-CA 3.14Å; D293-E296 PolarHBondContact OD1-N 3.11Å; D293-T297 PolarHBondContact OD1-N 3.21Å; D293-T297 PolarHBondContact OD2-OG1 3.48Å; D293-T297 VanDerWaalsContact OD2-OG1 3.07Å
294D86.9Confident87.7Confident172 Ų172120.8 Ų120.892%0.9260%0.599SS**THydrogen-bonded Turntrans-59.4-16.9-178.3-64.8-30.4000113.3
295N84.6Confident87.7Confident137 Ų137117.3 Ų117.373%0.73359%0.588SS**THydrogen-bonded Turntrans-100.3-1.3-178.6-59.2-47.7000113.7D293 T297D293-N295 PolarHBondContact O-N 3.26Å; N295-T297 VanDerWaalsContact C-N 3.28Å; N295-T297 PolarHBondContact O-N 2.91Å
296E84.9Confident87.8Confident144 Ų144110.5 Ų110.567%0.67357%0.566SS**  trans43.150-177.1-62.4-175.8170.400113.5C290 D293 E298C290-E296 HydrophobicContact CB-CB 4.17Å; C290-E296 WeakPolarHBondContact CB-O 3.5Å; C290-E296 PolarHBondContact SG-O 3.25Å; D293-E296 PolarHBondContact O-N 3.28Å; D293-E296 WeakPolarHBondContact OD1-CA 3.14Å; D293-E296 PolarHBondContact OD1-N 3.11Å; E296-E298 PolarHBondContact O-N 3.45Å
297T88.2Confident87.8Confident66 Ų66104.1 Ų104.141%0.40555%0.546SS..  trans-63.7124.6-171.1-54.60000111.6C290 L291 D293 N295C290-T297 CarbonylContact C-O 3.46Å; C290-T297 VanDerWaalsContact CA-O 3.31Å; C290-T297 WeakPolarHBondContact CA-O 3.36Å; L291-T297 PolarHBondContact N-O 2.97Å; D293-T297 PolarHBondContact OD1-N 3.21Å; D293-T297 PolarHBondContact OD2-OG1 3.48Å; D293-T297 VanDerWaalsContact OD2-OG1 3.07Å; N295-T297 VanDerWaalsContact C-N 3.28Å; N295-T297 PolarHBondContact O-N 2.91Å
298E88.9Confident87.8Confident125 Ų125105.5 Ų105.558%0.58455%0.547SS*.EExtended strand (participates in β ladder)trans-67133.2179.3-179.2173.6-174.300112.5V288 E296V288-E298 HydrophobicContact CG1-CB 4.4Å; V288-E298 HydrophobicContact CG1-CG 3.59Å; V288-E298 WeakPolarHBondContact CG1-OE1 3.38Å; E296-E298 PolarHBondContact O-N 3.45Å
299V90.3Very high87.9Confident33 Ų33111.7 Ų111.720%0.256%0.562CS.*EExtended strand (participates in β ladder)trans-118.2136.5-179.3-1730000110.6Y289 L291 D303 I304Y289-V299 PolarHBondContact O-N 2.92Å; L291-V299 HydrophobicContact CD1-CG2 4.4Å; L291-V299 HydrophobicContact CD2-CG2 3.8Å; L291-V299 HydrophobicContact CG-CG2 3.61Å; V299-D303 HydrophobicContact CG1-CB 3.97Å; V299-I304 HydrophobicContact CG1-CG1 4.26Å
300Q89.4Confident88.1Confident124 Ų124115.3 Ų115.358%0.57958%0.577SS**  trans-71.8147.9175.8-65.5-63-28.900111.5D302 D303Q300-D302 PolarHBondContact O-N 3.34Å; Q300-D302 VanDerWaalsContact O-N 3.16Å; Q300-D303 PolarHBondContact O-N 3.14Å; Q300-D303 VanDerWaalsContact O-N 3.1Å
301K85.4Confident88.3Confident132 Ų132115.5 Ų115.557%0.57459%0.589SS**G310 helixtrans-62.1-26.9-175.6-66.4-176.3-176.3172.50114.1Y289 D303Y289-K301 HydrophobicContact CD2-CG 4Å; Y289-K301 HydrophobicContact CE2-CD 4.22Å; Y289-K301 HydrophobicContact CE2-CG 3.88Å; K301-D303 VanDerWaalsContact C-N 3.31Å
302D86.5Confident88.5Confident157 Ų157116.4 Ų116.484%0.8460%0.604SS**G310 helixtrans-76.7-21-179.1-65.1-28000112.6Q300 I304Q300-D302 PolarHBondContact O-N 3.34Å; Q300-D302 VanDerWaalsContact O-N 3.16Å; D302-I304 VanDerWaalsContact C-N 3.28Å; D302-I304 PolarHBondContact O-N 3.34Å
303D86.9Confident89Confident124 Ų124113.1 Ų113.166%0.66359%0.586SS**G310 helixtrans-87.21.6179.3-61.9-35.6000112.6V299 Q300 K301V299-D303 HydrophobicContact CG1-CB 3.97Å; Q300-D303 PolarHBondContact O-N 3.14Å; Q300-D303 VanDerWaalsContact O-N 3.1Å; K301-D303 VanDerWaalsContact C-N 3.31Å
304I86.6Confident89.2Confident76 Ų76116 Ų11639%0.3960%0.601SS.*  trans-95.7125.3-177.5-56.5173.7000110.5Y289 V299 D302Y289-I304 HydrophobicContact CD1-CD1 3.98Å; Y289-I304 HydrophobicContact CD2-CD1 3.46Å; Y289-I304 VanDerWaalsContact CD2-CD1 3.46Å; Y289-I304 HydrophobicContact CE1-CD1 4.5Å; Y289-I304 HydrophobicContact CE2-CD1 4.04Å; Y289-I304 HydrophobicContact CG-CD1 3.42Å; Y289-I304 VanDerWaalsContact CG-CD1 3.42Å; V299-I304 HydrophobicContact CG1-CG1 4.26Å; D302-I304 VanDerWaalsContact C-N 3.28Å; D302-I304 PolarHBondContact O-N 3.34Å
305I88.4Confident89.4Confident115 Ų115111.1 Ų111.159%0.5958%0.576SS**  trans-111.8137.1172-57.3174.8000109G307 P316I305-G307 PolarHBondContact O-N 3.13Å; I305-P316 HydrophobicContact CG2-CB 4.07Å
306Q88.8Confident89.6Confident94 Ų94109 Ų10944%0.43957%0.57SS.*  trans-70.5119176.6-174.7173.7300110.1F308 F317Q306-F308 HydrophobicContact CG-CE2 4.28Å; Q306-F308 HydrophobicContact CG-CZ 4.36Å; Q306-F317 PolarHBondContact O-N 3.25Å; Q306-F317 VanDerWaalsContact O-O 3.06Å
307G89.5Confident89.8Confident36 Ų36104.5 Ų104.537%0.37155%0.548SS..EExtended strand (participates in β ladder)trans-100.2140.6173.300000111.9I305 V315I305-G307 PolarHBondContact O-N 3.13Å; G307-V315 WeakPolarHBondContact CA-O 3.45Å
308F90.8Very high89.8Confident95 Ų95103.4 Ų103.442%0.41754%0.544SS..EExtended strand (participates in β ladder)trans-106.5136.1167.2-65.9-86.3000109.3Q306 Y310 V315 F317 Q322Q306-F308 HydrophobicContact CG-CE2 4.28Å; Q306-F308 HydrophobicContact CG-CZ 4.36Å; F308-Y310 PolarHBondContact O-N 3.06Å; F308-V315 PolarHBondContact N-O 3.23Å; F308-V315 PolarHBondContact O-N 3.25Å; F308-F317 HydrophobicContact CD2-CB 3.8Å; F308-F317 HydrophobicContact CD2-CG 4.41Å; F308-F317 HydrophobicContact CE2-CB 3.96Å; F308-F317 HydrophobicContact CE2-CG 4.45Å; F308-Q322 HydrophobicContact CE2-CG 4.18Å; F308-Q322 HydrophobicContact CZ-CG 4.45Å
309R91.9Very high89.7Confident201 Ų201105 Ų10576%0.75855%0.549SS*.EExtended strand (participates in β ladder)trans-77.2122.1173.9-61.8-174.876.9154.15.1108.9D313 I314R309-D313 WeakPolarHBondContact CA-O 3.4Å; R309-I314 HydrophobicContact CG-CG1 4.4Å
310Y92.1Very high89.6Confident190 Ų190107.9 Ų107.975%0.74557%0.566SS**EExtended strand (participates in β ladder)trans-119.392.8172.5-173-104.9000108.5F308 S312 D313F308-Y310 PolarHBondContact O-N 3.06Å; Y310-S312 PolarHBondContact O-N 3.09Å; Y310-D313 PolarHBondContact N-O 3.38Å; Y310-D313 PolarHBondContact O-N 2.86Å
311G92.9Very high89.5Confident70 Ų70105.1 Ų105.172%0.72256%0.555SS**THydrogen-bonded Turntrans65.8-123.8-167.500000110.9
312S92.9Very high89.4Confident113 Ų113100.1 Ų100.179%0.7953%0.534SS*.THydrogen-bonded Turntrans-82.1-21.6177-59.10000113.3Y310Y310-S312 PolarHBondContact O-N 3.09Å
313D94.4Very high89.4Confident115 Ų11597 Ų9762%0.61552%0.518SS*.EExtended strand (participates in β ladder)trans-89.2146.2-172.9-62-30.4000111.4R309 Y310R309-D313 WeakPolarHBondContact CA-O 3.4Å; Y310-D313 PolarHBondContact N-O 3.38Å; Y310-D313 PolarHBondContact O-N 2.86Å
314I92.1Very high89.4Confident118 Ų11897.6 Ų97.661%0.60552%0.516SS*.EExtended strand (participates in β ladder)trans-102.9111.4172.9-57.5174.7000107.4R309 P316R309-I314 HydrophobicContact CG-CG1 4.4Å; I314-P316 WeakPolarHBondContact O-CD 3.38Å
315V91.8Very high89.4Confident68 Ų68100.8 Ų100.841%0.41253%0.531SS..EExtended strand (participates in β ladder)trans-93.2113.8178.4-1770000108.5G307 F308G307-V315 WeakPolarHBondContact CA-O 3.45Å; F308-V315 PolarHBondContact N-O 3.23Å; F308-V315 PolarHBondContact O-N 3.25Å
316P89.7Confident89.3Confident92 Ų92100.4 Ų100.460%0.59753%0.525SS*.EExtended strand (participates in β ladder)trans-69.8133.3175.429-33.1000109.7I305 I314I305-P316 HydrophobicContact CG2-CB 4.07Å; I314-P316 WeakPolarHBondContact O-CD 3.38Å
317F87.9Confident89.2Confident50 Ų50103.6 Ų103.622%0.21953%0.534CS..  trans-138.6113.5-175.1-146.7-84.1000111Q306 F308 D321 Q322 M325Q306-F317 PolarHBondContact O-N 3.25Å; Q306-F317 VanDerWaalsContact O-O 3.06Å; F308-F317 HydrophobicContact CD2-CB 3.8Å; F308-F317 HydrophobicContact CD2-CG 4.41Å; F308-F317 HydrophobicContact CE2-CB 3.96Å; F308-F317 HydrophobicContact CE2-CG 4.45Å; F317-D321 HydrophobicContact CD1-CB 3.77Å; F317-D321 HydrophobicContact CE1-CB 3.48Å; F317-D321 VanDerWaalsContact CE1-CB 3.48Å; F317-D321 HydrophobicContact CZ-CB 3.97Å; F317-Q322 HydrophobicContact CD1-CB 4.11Å; F317-Q322 HydrophobicContact CD1-CG 3.56Å; F317-Q322 VanDerWaalsContact CE1-CA 3.46Å; F317-Q322 HydrophobicContact CE1-CB 4.16Å; F317-Q322 HydrophobicContact CE1-CG 3.87Å; F317-Q322 PolarHBondContact O-NE2 2.89Å; F317-M325 HydrophobicContact CE2-SD 4.18Å; F317-M325 HydrophobicContact CZ-CB 4.18Å; F317-M325 HydrophobicContact CZ-CE 4.38Å; F317-M325 HydrophobicContact CZ-CG 4.12Å; F317-M325 HydrophobicContact CZ-SD 3.63Å
318S88.3Confident89.1Confident44 Ų44108.8 Ų108.831%0.30855%0.547SS..  trans-68.4156.9-17983.50000111.4V320 D321 Q322S318-V320 PolarHBondContact O-N 3.48Å; S318-V320 PolarHBondContact OG-N 3.48Å; S318-D321 WeakPolarHBondContact CB-OD2 3.37Å; S318-D321 PolarHBondContact O-N 3.01Å; S318-D321 PolarHBondContact OG-N 2.97Å; S318-D321 VanDerWaalsContact OG-N 3.12Å; S318-D321 PolarHBondContact OG-OD2 2.86Å; S318-Q322 WeakPolarHBondContact O-CB 3.49Å; S318-Q322 PolarHBondContact O-N 2.96Å
319K86.8Confident88.9Confident158 Ų158105.3 Ų105.369%0.68753%0.532SS*.Hα-helixtrans-61.2-33.8175.4-69178.1-178.1168.50112Q322 D323K319-Q322 WeakPolarHBondContact O-CB 3.49Å; K319-Q322 PolarHBondContact O-N 3.34Å; K319-D323 PolarHBondContact O-N 2.81Å
320V88.1Confident88.3Confident94 Ų94103.1 Ų103.157%0.5754%0.535SS*.Hα-helixtrans-66.9-46.1178.7179.60000110.5S318 Q322 D323 Q324S318-V320 PolarHBondContact O-N 3.48Å; S318-V320 PolarHBondContact OG-N 3.48Å; V320-Q322 VanDerWaalsContact C-N 3.25Å; V320-Q322 PolarHBondContact O-N 3.06Å; V320-D323 PolarHBondContact O-N 2.66Å; V320-Q324 WeakPolarHBondContact O-CG 3.45Å; V320-Q324 PolarHBondContact O-N 3.41Å; V320-Q324 VanDerWaalsContact O-N 3.14Å
321D87.1Confident88.1Confident66 Ų6694.2 Ų94.235%0.35350%0.501SS..Hα-helixtrans-62.4-39.2176-57.7-39.3000110.1F317 S318 D323 Q324 M325F317-D321 HydrophobicContact CD1-CB 3.77Å; F317-D321 HydrophobicContact CE1-CB 3.48Å; F317-D321 VanDerWaalsContact CE1-CB 3.48Å; F317-D321 HydrophobicContact CZ-CB 3.97Å; S318-D321 WeakPolarHBondContact CB-OD2 3.37Å; S318-D321 PolarHBondContact O-N 3.01Å; S318-D321 PolarHBondContact OG-N 2.97Å; S318-D321 VanDerWaalsContact OG-N 3.12Å; S318-D321 PolarHBondContact OG-OD2 2.86Å; D321-D323 PolarHBondContact O-N 2.86Å; D321-Q324 PolarHBondContact O-N 3.41Å; D321-M325 WeakPolarHBondContact O-CB 3.49Å; D321-M325 WeakPolarHBondContact O-CG 3.48Å; D321-M325 PolarHBondContact O-N 2.84Å
322Q85Confident88Confident27 Ų2794.1 Ų94.113%0.12648%0.481CS..Hα-helixtrans-57.7-48.2178.1-104.8171.269.700111F308 F317 S318 K319 V320 Q324 K326F308-Q322 HydrophobicContact CE2-CG 4.18Å; F308-Q322 HydrophobicContact CZ-CG 4.45Å; F317-Q322 HydrophobicContact CD1-CB 4.11Å; F317-Q322 HydrophobicContact CD1-CG 3.56Å; F317-Q322 VanDerWaalsContact CE1-CA 3.46Å; F317-Q322 HydrophobicContact CE1-CB 4.16Å; F317-Q322 HydrophobicContact CE1-CG 3.87Å; F317-Q322 PolarHBondContact O-NE2 2.89Å; S318-Q322 WeakPolarHBondContact O-CB 3.49Å; S318-Q322 PolarHBondContact O-N 2.96Å; K319-Q322 WeakPolarHBondContact O-CB 3.49Å; K319-Q322 PolarHBondContact O-N 3.34Å; V320-Q322 VanDerWaalsContact C-N 3.25Å; V320-Q322 PolarHBondContact O-N 3.06Å; Q322-Q324 VanDerWaalsContact C-N 3.31Å; Q322-Q324 PolarHBondContact O-N 3.35Å; Q322-K326 VanDerWaalsContact O-CB 3.31Å; Q322-K326 WeakPolarHBondContact O-CB 3.26Å; Q322-K326 WeakPolarHBondContact O-CD 3.39Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.11Å
323D85.8Confident87.8Confident92 Ų9290 Ų9049%0.49245%0.452SS..Hα-helixtrans-74.8-22.2-177-67.9-19.6000113.4K319 V320 D321 K326 K328K319-D323 PolarHBondContact O-N 2.81Å; V320-D323 PolarHBondContact O-N 2.66Å; D321-D323 PolarHBondContact O-N 2.86Å; D323-K326 IonicContact OD1-NZ 2.7Å; D323-K326 PolarHBondContact OD1-NZ 3.44Å; D323-K328 VanDerWaalsContact O-CE 3.29Å; D323-K328 WeakPolarHBondContact O-CE 3.43Å; D323-K328 PolarHBondContact O-NZ 3.43Å
324Q87.3Confident87.8Confident136 Ų13684.6 Ų84.664%0.63642%0.423SS*.Hα-helixtrans-79.1-46.1172.6-70.1-171.926.300112.4V320 D321 Q322V320-Q324 WeakPolarHBondContact O-CG 3.45Å; V320-Q324 PolarHBondContact O-N 3.41Å; V320-Q324 VanDerWaalsContact O-N 3.14Å; D321-Q324 PolarHBondContact O-N 3.41Å; Q322-Q324 VanDerWaalsContact C-N 3.31Å; Q322-Q324 PolarHBondContact O-N 3.35Å
325M85.9Confident87.9Confident142 Ų14280 Ų8070%0.740%0.402SS*.Hα-helixtrans-84.7-14.6-174.9-63.2-157.3-168.400114.3F317 D321 Y327F317-M325 HydrophobicContact CE2-SD 4.18Å; F317-M325 HydrophobicContact CZ-CB 4.18Å; F317-M325 HydrophobicContact CZ-CE 4.38Å; F317-M325 HydrophobicContact CZ-CG 4.12Å; F317-M325 HydrophobicContact CZ-SD 3.63Å; D321-M325 WeakPolarHBondContact O-CB 3.49Å; D321-M325 WeakPolarHBondContact O-CG 3.48Å; D321-M325 PolarHBondContact O-N 2.84Å; M325-Y327 PolarHBondContact O-N 3.02Å
326K86Confident88.1Confident107 Ų10777.7 Ų77.747%0.46539%0.388SS..SBendtrans-54.8137172.4-88.4164.8-163.2167.50110.8Q322 D323 K328Q322-K326 VanDerWaalsContact O-CB 3.31Å; Q322-K326 WeakPolarHBondContact O-CB 3.26Å; Q322-K326 WeakPolarHBondContact O-CD 3.39Å; Q322-K326 WeakPolarHBondContact O-CG 3.39Å; Q322-K326 PolarHBondContact O-N 3.11Å; D323-K326 IonicContact OD1-NZ 2.7Å; D323-K326 PolarHBondContact OD1-NZ 3.44Å; K326-K328 PolarHBondContact O-N 3.21Å
327Y87.9Confident88.4Confident162 Ų16278.5 Ų78.564%0.63539%0.387SS*.  trans-58.8125.6174.4178.1-97.7000110.6M325 H329 R388 P397M325-Y327 PolarHBondContact O-N 3.02Å; Y327-H329 HydrophobicContact CE1-CB 3.91Å; Y327-R388 PolarHBondContact OH-NH2 3.23Å; Y327-P397 HydrophobicContact CE1-CG 4.09Å
328K87.1Confident88.7Confident145 Ų14577.4 Ų77.463%0.6339%0.39SS*.  trans-111.7139.3178-68.7168.2-172.21670108.8D323 K326D323-K328 VanDerWaalsContact O-CE 3.29Å; D323-K328 WeakPolarHBondContact O-CE 3.43Å; D323-K328 PolarHBondContact O-NZ 3.43Å; K326-K328 PolarHBondContact O-N 3.21Å
329H85.8Confident89.1Confident21 Ų2179.9 Ų79.910%0.09740%0.395CS..  trans-130.6165175.264.795.6000110.8Y327 G331 D392 S395 P397Y327-H329 HydrophobicContact CE1-CB 3.91Å; H329-G331 PolarHBondContact CE1-O 2.95Å; H329-G331 VanDerWaalsContact CE1-O 3.26Å; H329-G331 PolarHBondContact ND1-N 3.32Å; H329-G331 PolarHBondContact ND1-O 3.4Å; H329-G331 PolarHBondContact O-N 2.87Å; H329-D392 PolarHBondContact CE1-O 3.23Å; H329-D392 VanDerWaalsContact CE1-O 3.23Å; H329-S395 PolarHBondContact NE2-O 3.42Å; H329-P397 HydrophobicContact CB-CG 4.2Å
330D80.3Confident89.5Confident155 Ų15573.9 Ų73.983%0.82937%0.372SS*.  trans-65.8-3.8-170.2-56.5-39.3000114.8
331G86.4Confident89.8Confident3 Ų376.4 Ų76.43%0.03138%0.375CS..SBendtrans111-142175.100000113.1H329 C333H329-G331 PolarHBondContact CE1-O 2.95Å; H329-G331 VanDerWaalsContact CE1-O 3.26Å; H329-G331 PolarHBondContact ND1-N 3.32Å; H329-G331 PolarHBondContact ND1-O 3.4Å; H329-G331 PolarHBondContact O-N 2.87Å; G331-C333 PolarHBondContact O-N 3.01Å
332K90.6Very high90.1Very high69 Ų6977.9 Ų77.930%0.338%0.378SS..SBendtrans-63122-176.8173166.2176.4160.90110.7W241 P242 C243 A390W241-K332 HydrophobicContact CH2-CG 4.43Å; W241-K332 HydrophobicContact CZ2-CD 3.86Å; W241-K332 HydrophobicContact CZ2-CG 3.66Å; W241-K332 VanDerWaalsContact NE1-CE 3.31Å; W241-K332 PolarHBondContact O-NZ 2.86Å; P242-K332 VanDerWaalsContact C-CE 3.46Å; P242-K332 WeakPolarHBondContact O-CE 3.36Å; P242-K332 PolarHBondContact O-NZ 3.11Å; C243-K332 VanDerWaalsContact CA-CE 3.42Å; C243-K332 HydrophobicContact CB-CD 4.46Å; C243-K332 WeakPolarHBondContact SG-CE 3.49Å; K332-A390 WeakPolarHBondContact CA-O 3.48Å
333C89.9Confident90.4Very high27 Ų2782.6 Ų82.618%0.18241%0.405CS..EExtended strand (participates in β ladder)trans-146147.4179.572.90000112.6G331 Y389 A390G331-C333 PolarHBondContact O-N 3.01Å; C333-Y389 WeakPolarHBondContact O-CA 3.46Å; C333-A390 PolarHBondContact N-O 3.32Å; C333-A390 VanDerWaalsContact N-O 3.09Å; C333-A390 PolarHBondContact O-N 3.42Å; C333-A390 VanDerWaalsContact SG-CB 3.5Å
334F94.3Very high90.8Very high1 Ų183.9 Ų83.90%0.00441%0.411CS..EExtended strand (participates in β ladder)trans-136.486167.8-163.5-108.2000108.7W241 L245 T246 I255 I358 V387 R388 Y389 A402 Y415W241-F334 HydrophobicContact CH2-CB 4.4Å; L245-F334 CarbonylContact C-O 3.6Å; L245-F334 VanDerWaalsContact CA-O 3.23Å; L245-F334 WeakPolarHBondContact CA-O 3.4Å; L245-F334 HydrophobicContact CB-CD1 4.23Å; L245-F334 HydrophobicContact CD1-CD1 3.47Å; L245-F334 VanDerWaalsContact CD1-CD1 3.47Å; L245-F334 HydrophobicContact CD1-CE1 3.76Å; L245-F334 HydrophobicContact CG-CD1 4.41Å; T246-F334 PolarHBondContact N-O 3.33Å; I255-F334 HydrophobicContact CD1-CB 4Å; I255-F334 HydrophobicContact CD1-CD1 3.52Å; I255-F334 HydrophobicContact CD1-CE1 4.3Å; I255-F334 HydrophobicContact CD1-CG 3.93Å; F334-I358 HydrophobicContact CD1-CD1 4.06Å; F334-I358 HydrophobicContact CD2-CD1 4.23Å; F334-I358 HydrophobicContact CE1-CD1 3.32Å; F334-I358 HydrophobicContact CE2-CD1 3.49Å; F334-I358 VanDerWaalsContact CE2-CD1 3.49Å; F334-I358 HydrophobicContact CG-CD1 4.47Å; F334-I358 HydrophobicContact CZ-CD1 2.98Å; F334-I358 HydrophobicContact CZ-CG1 4.5Å; F334-V387 HydrophobicContact CD2-CG2 4.43Å; F334-V387 HydrophobicContact CE1-CB 4.49Å; F334-V387 HydrophobicContact CE1-CG1 4.2Å; F334-V387 HydrophobicContact CE1-CG2 4.49Å; F334-V387 HydrophobicContact CE2-CB 4.14Å; F334-V387 HydrophobicContact CE2-CG2 3.57Å; F334-V387 HydrophobicContact CZ-CB 4.02Å; F334-V387 HydrophobicContact CZ-CG1 4.03Å; F334-V387 HydrophobicContact CZ-CG2 3.58Å; F334-R388 WeakPolarHBondContact CA-O 3.24Å; F334-Y389 AromaticContact CD2-CD2 3.79Å; F334-Y389 HydrophobicContact CD2-CD2 3.79Å; F334-Y389 HydrophobicContact CD2-CG 4.43Å; F334-Y389 HydrophobicContact CE2-CD2 4.11Å; F334-A402 HydrophobicContact CZ-CB 4.36Å; F334-Y415 AromaticContact CE2-CD2 3.86Å; F334-Y415 HydrophobicContact CE2-CD2 3.86Å; F334-Y415 HydrophobicContact CE2-CE2 4.42Å; F334-Y415 HydrophobicContact CE2-CG 4.18Å; F334-Y415 HydrophobicContact CZ-CD2 4.28Å
335A94.4Very high91Very high20 Ų2078.3 Ų78.317%0.16539%0.386CS..EExtended strand (participates in β ladder)trans-111.8130.8-170.100000111.5T246 L337 V387 R388T246-A335 WeakPolarHBondContact OG1-CA 3.38Å; T246-A335 WeakPolarHBondContact OG1-CB 3.45Å; A335-L337 PolarHBondContact O-N 3.09Å; A335-V387 CarbonylContact O-C 3.59Å; A335-V387 VanDerWaalsContact O-CA 3.24Å; A335-V387 WeakPolarHBondContact O-CA 3.41Å; A335-R388 HydrophobicContact CB-CB 4.49Å; A335-R388 PolarHBondContact N-O 3.36Å; A335-R388 PolarHBondContact O-N 2.78Å
336V96.3Very high91.2Very high21 Ų2175 Ų7513%0.12737%0.371CS..EExtended strand (participates in β ladder)trans-74.6121174.5-175.60000109.4L245 T246 I247 F339 A385 V387L245-V336 HydrophobicContact CD1-CG2 3.66Å; T246-V336 PolarHBondContact O-N 2.96Å; I247-V336 HydrophobicContact CD1-CG2 4.48Å; I247-V336 HydrophobicContact CG1-CB 4.17Å; I247-V336 HydrophobicContact CG1-CG2 3.65Å; V336-F339 HydrophobicContact CG1-CE1 4.14Å; V336-F339 HydrophobicContact CG1-CE2 4.11Å; V336-F339 HydrophobicContact CG1-CZ 3.84Å; V336-A385 HydrophobicContact CG1-CB 4.31Å; V336-V387 HydrophobicContact CG2-CG1 4.12Å
337L95.2Very high91.3Very high109 Ų10980 Ų8057%0.57139%0.387SS*.EExtended strand (participates in β ladder)trans-86-36.4174.3-61.3179.8000111.3A335 I386 R388 V399A335-L337 PolarHBondContact O-N 3.09Å; L337-I386 HydrophobicContact CB-CG2 4.41Å; L337-I386 HydrophobicContact CD1-CG2 4.4Å; L337-I386 PolarHBondContact N-O 2.86Å; L337-R388 HydrophobicContact CD1-CB 4.19Å; L337-R388 HydrophobicContact CD2-CB 4.11Å; L337-R388 HydrophobicContact CG-CB 4.14Å; L337-V399 HydrophobicContact CD1-CG1 4.36Å; L337-V399 HydrophobicContact CD1-CG2 4.38Å
338G94.8Very high91.4Very high27 Ų2779.4 Ų79.428%0.27839%0.389SS..EExtended strand (participates in β ladder)trans179.2-178.5179.100000112.4I386G338-I386 PolarHBondContact N-O 2.94Å; G338-I386 PolarHBondContact O-N 3.34Å
339F95.4Very high91.4Very high95 Ų9575.3 Ų75.342%0.41737%0.373SS..EExtended strand (participates in β ladder)trans-120.7144.3178-60-81.4000110V336 L374 L378 M383 V384 A385V336-F339 HydrophobicContact CG1-CE1 4.14Å; V336-F339 HydrophobicContact CG1-CE2 4.11Å; V336-F339 HydrophobicContact CG1-CZ 3.84Å; F339-L374 HydrophobicContact CE1-CD1 4.28Å; F339-L374 HydrophobicContact CZ-CD1 4.35Å; F339-L378 HydrophobicContact CD1-CD2 3.59Å; F339-L378 HydrophobicContact CE1-CD2 3.81Å; F339-M383 HydrophobicContact CB-SD 4.35Å; F339-V384 WeakPolarHBondContact CA-O 3.45Å; F339-A385 HydrophobicContact CD1-CB 3.81Å; F339-A385 HydrophobicContact CE1-CB 3.69Å
340T95.7Very high91.7Very high33 Ų3377.7 Ų77.720%0.20238%0.383CS..EExtended strand (participates in β ladder)trans-139.4161.2177.9-168.80000110.5L344 V345 M383 V384 I386T340-L344 VanDerWaalsContact OG1-CD1 3.31Å; T340-L344 WeakPolarHBondContact OG1-CD1 2.81Å; T340-V345 HydrophobicContact CG2-CG2 3.63Å; T340-M383 CarbonylContact O-C 3.5Å; T340-M383 VanDerWaalsContact O-CA 3.28Å; T340-M383 WeakPolarHBondContact O-CA 3.33Å; T340-V384 HydrophobicContact CG2-CB 4.5Å; T340-V384 PolarHBondContact N-O 3.28Å; T340-V384 PolarHBondContact O-N 3.31Å; T340-I386 HydrophobicContact CG2-CD1 3.88Å; T340-I386 HydrophobicContact CG2-CG1 4.02Å
341K95.1Very high92.2Very high146 Ų14672.9 Ų72.964%0.63536%0.356SS*.EExtended strand (participates in β ladder)trans-68.7142.6174.3-65.6-174.7178.7-176.60110N343 L344K341-N343 PolarHBondContact O-N 3.49Å; K341-L344 HydrophobicContact CB-CD1 4.32Å; K341-L344 HydrophobicContact CB-CG 4.41Å; K341-L344 WeakPolarHBondContact O-CB 3.31Å; K341-L344 PolarHBondContact O-N 3.27Å
342K92.3Very high92.2Very high97 Ų9774.9 Ų74.942%0.42238%0.376SS..G310 helixtrans-53-40179.7-170.9177-178.2175.70113.1L344 V345 N382 V384K342-L344 PolarHBondContact O-N 3.25Å; K342-V345 PolarHBondContact O-N 2.94Å; K342-V345 VanDerWaalsContact O-N 3.12Å; K342-N382 VanDerWaalsContact CB-OD1 3.26Å; K342-N382 WeakPolarHBondContact CB-OD1 3.42Å; K342-N382 WeakPolarHBondContact CD-OD1 3.3Å; K342-N382 PolarHBondContact N-O 3.1Å; K342-V384 HydrophobicContact CB-CG2 3.86Å; K342-V384 HydrophobicContact CG-CG2 3.97Å
343N92.8Very high92Very high127 Ų12776.2 Ų76.268%0.67939%0.39SS*.G310 helixtrans-65.9-21-178.1-61.1-3.8000114.3K341 V345K341-N343 PolarHBondContact O-N 3.49Å; N343-V345 VanDerWaalsContact C-N 3.29Å
344L92.6Very high92Very high119 Ų11977.9 Ų77.962%0.62340%0.396SS*.G310 helixtrans-77.8-18.4177.7-68.9173.5000112.2T340 K341 K342T340-L344 VanDerWaalsContact OG1-CD1 3.31Å; T340-L344 WeakPolarHBondContact OG1-CD1 2.81Å; K341-L344 HydrophobicContact CB-CD1 4.32Å; K341-L344 HydrophobicContact CB-CG 4.41Å; K341-L344 WeakPolarHBondContact O-CB 3.31Å; K341-L344 PolarHBondContact O-N 3.27Å; K342-L344 PolarHBondContact O-N 3.25Å
345V91.5Very high91.9Very high18 Ų1879.7 Ų79.711%0.10941%0.407CS..SBendtrans-97.7100.9178.3-166.50000108.8T340 K342 N343 F350 I386 A401 F403 L418T340-V345 HydrophobicContact CG2-CG2 3.63Å; K342-V345 PolarHBondContact O-N 2.94Å; K342-V345 VanDerWaalsContact O-N 3.12Å; N343-V345 VanDerWaalsContact C-N 3.29Å; V345-F350 HydrophobicContact CG1-CE1 3.85Å; V345-I386 HydrophobicContact CG2-CD1 4.49Å; V345-A401 HydrophobicContact CG1-CB 4.1Å; V345-F403 HydrophobicContact CB-CE1 4.49Å; V345-F403 HydrophobicContact CB-CZ 4.29Å; V345-F403 HydrophobicContact CG1-CZ 3.91Å; V345-L418 HydrophobicContact CG1-CD1 4.45Å; V345-L418 HydrophobicContact CG1-CD2 3.75Å
346L89.9Confident91.9Very high73 Ų7379 Ų7938%0.38240%0.401SS..  trans-84.3134-173.2-56.1173.7000111H348 Q349L346-H348 VanDerWaalsContact C-N 3.26Å; L346-H348 WeakPolarHBondContact CB-CE1 3.15Å; L346-H348 WeakPolarHBondContact CD1-CE1 3.35Å; L346-H348 PolarHBondContact O-N 3.22Å; L346-Q349 HydrophobicContact CB-CG 4.12Å; L346-Q349 WeakPolarHBondContact O-CB 3.45Å; L346-Q349 PolarHBondContact O-N 3.08Å
347R89.6Confident91.8Very high212 Ų21280.6 Ų80.680%0.841%0.406SS*.G310 helixtrans-57.8-34.9-176.5-175.1171.7-176.6142.4-1.2113.8Q349 F350R347-Q349 PolarHBondContact O-N 3.41Å; R347-F350 HydrophobicContact CB-CE2 4.28Å; R347-F350 HydrophobicContact CG-CD2 3.98Å; R347-F350 HydrophobicContact CG-CE2 3.91Å; R347-F350 WeakPolarHBondContact O-CB 3.46Å; R347-F350 WeakPolarHBondContact O-CD2 3.48Å; R347-F350 VanDerWaalsContact O-CG 3.3Å; R347-F350 WeakPolarHBondContact O-CG 3.44Å; R347-F350 PolarHBondContact O-N 3.17Å
348H88.5Confident91.7Very high150 Ų15075.4 Ų75.469%0.69438%0.379SS*.G310 helixtrans-69.9-13178.963.9-101.4000113.7L346L346-H348 VanDerWaalsContact C-N 3.26Å; L346-H348 WeakPolarHBondContact CB-CE1 3.15Å; L346-H348 WeakPolarHBondContact CD1-CE1 3.35Å; L346-H348 PolarHBondContact O-N 3.22Å
349Q88.4Confident91.7Very high59 Ų5976.4 Ų76.428%0.27638%0.375SS..G310 helixtrans-87.3-9.9176.5-62176.5-13.900112.1L346 R347 M351 P419L346-Q349 HydrophobicContact CB-CG 4.12Å; L346-Q349 WeakPolarHBondContact O-CB 3.45Å; L346-Q349 PolarHBondContact O-N 3.08Å; R347-Q349 PolarHBondContact O-N 3.41Å; Q349-M351 PolarHBondContact O-N 2.92Å; Q349-P419 HydrophobicContact CB-CG 4.22Å; Q349-P419 WeakPolarHBondContact O-CD 3.37Å
350F92.1Very high91.6Very high70 Ų7073.6 Ų73.631%0.30737%0.367SS..  trans-58.5134.7-179.6-66.5-12.6000111.5V345 R347 F403 V416 L418V345-F350 HydrophobicContact CG1-CE1 3.85Å; R347-F350 HydrophobicContact CB-CE2 4.28Å; R347-F350 HydrophobicContact CG-CD2 3.98Å; R347-F350 HydrophobicContact CG-CE2 3.91Å; R347-F350 WeakPolarHBondContact O-CB 3.46Å; R347-F350 WeakPolarHBondContact O-CD2 3.48Å; R347-F350 VanDerWaalsContact O-CG 3.3Å; R347-F350 WeakPolarHBondContact O-CG 3.44Å; R347-F350 PolarHBondContact O-N 3.17Å; F350-F403 AromaticContact CE1-CE2 3.98Å; F350-F403 HydrophobicContact CE1-CE2 3.98Å; F350-F403 AromaticContact CE1-CZ 3.68Å; F350-F403 HydrophobicContact CE1-CZ 3.68Å; F350-F403 HydrophobicContact CZ-CE1 4.41Å; F350-F403 AromaticContact CZ-CE2 3.75Å; F350-F403 HydrophobicContact CZ-CE2 3.75Å; F350-F403 AromaticContact CZ-CZ 3.48Å; F350-F403 HydrophobicContact CZ-CZ 3.48Å; F350-F403 VanDerWaalsContact CZ-CZ 3.48Å; F350-V416 HydrophobicContact CB-CG1 3.75Å; F350-V416 HydrophobicContact CD1-CG1 3.88Å; F350-V416 HydrophobicContact CD2-CG1 3.92Å; F350-V416 HydrophobicContact CE1-CG1 4.43Å; F350-V416 HydrophobicContact CE2-CG1 4.47Å; F350-V416 HydrophobicContact CG-CG1 3.59Å; F350-L418 HydrophobicContact CD1-CD2 4.21Å
351M90.1Very high91.3Very high54 Ų5472.5 Ų72.527%0.26636%0.361SS..EExtended strand (participates in β ladder)trans-123.3177.7177-67.3-154.185.700110.6Q349 Q417 P419 D423Q349-M351 PolarHBondContact O-N 2.92Å; M351-Q417 HydrophobicContact CB-CG 4.33Å; M351-Q417 PolarHBondContact N-O 3.34Å; M351-Q417 WeakPolarHBondContact O-CB 3.24Å; M351-P419 HydrophobicContact CG-CB 3.93Å; M351-P419 HydrophobicContact SD-CB 3.51Å; M351-P419 VanDerWaalsContact SD-CB 3.51Å; M351-D423 HydrophobicContact CE-CB 4.41Å; M351-D423 HydrophobicContact SD-CB 3.84Å
352G86.6Confident90.8Very high45 Ų4577 Ų7746%0.46437%0.374SS..EExtended strand (participates in β ladder)trans89.7162.8179.800000112.8
353T87Confident90.6Very high97 Ų9778 Ų7860%0.59538%0.384SS*.EExtended strand (participates in β ladder)trans-102.72.4-179.655.30000112.5
354Q89.9Confident90.4Very high63 Ų6373.5 Ų73.529%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-143.8143.8-170.2-58.6176.62.900110.9V261 T262V261-Q354 VanDerWaalsContact O-CA 3.23Å; V261-Q354 WeakPolarHBondContact O-CA 3.47Å; T262-Q354 HydrophobicContact CG2-CG 4.03Å; T262-Q354 WeakPolarHBondContact OG1-CG 3.48Å
355V92.8Very high90.3Very high39 Ų3976 Ų7624%0.23637%0.368CS..EExtended strand (participates in β ladder)trans-114131.1169.2-179.50000108A260 V261 L414 V416A260-V355 PolarHBondContact N-O 2.81Å; V261-V355 HydrophobicContact CB-CB 4Å; V261-V355 HydrophobicContact CB-CG2 4.1Å; V261-V355 HydrophobicContact CG2-CB 4.21Å; V261-V355 HydrophobicContact CG2-CG2 4.37Å; V261-V355 PolarHBondContact N-O 3.16Å; V261-V355 PolarHBondContact O-N 3.26Å; V355-L414 HydrophobicContact CG1-CD2 4.36Å; V355-V416 HydrophobicContact CG1-CG2 4.32Å; V355-V416 HydrophobicContact CG2-CG2 4.49Å
356V93.4Very high90.3Very high6 Ų682.8 Ų82.84%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-111.7121.2-176.7-176.20000109.6F258 I358 Y415F258-V356 CarbonylContact O-C 3.46Å; F258-V356 WeakPolarHBondContact O-CA 3.42Å; V356-I358 HydrophobicContact CG1-CG1 4.23Å; V356-Y415 HydrophobicContact CB-CD1 4.27Å; V356-Y415 HydrophobicContact CG2-CD1 4.31Å; V356-Y415 PolarHBondContact N-O 3.2Å; V356-Y415 PolarHBondContact O-N 3.35Å
357K94.2Very high90.3Very high53 Ų5379.6 Ų79.623%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-83.6131.8168-81174.9-176.5-174.80109.3G257 F258 A260 F359 Y410 L413 L414G257-K357 CarbonylContact C-O 3.6Å; G257-K357 WeakPolarHBondContact CA-O 3.2Å; F258-K357 PolarHBondContact N-O 3.07Å; F258-K357 PolarHBondContact O-N 2.85Å; A260-K357 HydrophobicContact CB-CB 4.3Å; A260-K357 HydrophobicContact CB-CD 3.68Å; A260-K357 HydrophobicContact CB-CG 3.66Å; K357-F359 HydrophobicContact CB-CD2 4.31Å; K357-F359 HydrophobicContact CB-CE2 3.6Å; K357-F359 HydrophobicContact CB-CZ 4.29Å; K357-F359 HydrophobicContact CD-CE2 4.34Å; K357-F359 HydrophobicContact CD-CZ 4.35Å; K357-F359 HydrophobicContact CG-CE2 4.49Å; K357-Y410 PolarHBondContact NZ-OH 2.89Å; K357-L413 CarbonylContact C-O 3.54Å; K357-L413 WeakPolarHBondContact CA-O 3.42Å; K357-L414 HydrophobicContact CD-CD2 4.32Å; K357-L414 HydrophobicContact CG-CD2 3.38Å
358I94.1Very high90.4Very high1 Ų170.6 Ų70.61%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-116.5125.8-176.8-57.8176.2000108.6I255 F334 V356 C412 L413I255-I358 HydrophobicContact CB-CG2 3.81Å; I255-I358 HydrophobicContact CD1-CG2 3.52Å; I255-I358 HydrophobicContact CG1-CG2 4.22Å; I255-I358 HydrophobicContact CG2-CG2 4.13Å; F334-I358 HydrophobicContact CD1-CD1 4.06Å; F334-I358 HydrophobicContact CD2-CD1 4.23Å; F334-I358 HydrophobicContact CE1-CD1 3.32Å; F334-I358 HydrophobicContact CE2-CD1 3.49Å; F334-I358 VanDerWaalsContact CE2-CD1 3.49Å; F334-I358 HydrophobicContact CG-CD1 4.47Å; F334-I358 HydrophobicContact CZ-CD1 2.98Å; F334-I358 HydrophobicContact CZ-CG1 4.5Å; V356-I358 HydrophobicContact CG1-CG1 4.23Å; I358-C412 WeakPolarHBondContact O-CA 3.49Å; I358-C412 WeakPolarHBondContact O-CB 3.27Å; I358-L413 HydrophobicContact CB-CB 4.21Å; I358-L413 PolarHBondContact N-O 3.31Å; I358-L413 PolarHBondContact O-N 3.3Å
359F93.4Very high90.6Very high47 Ų4768.5 Ų68.521%0.20635%0.353CS..EExtended strand (participates in β ladder)trans-120.1159.6-179.5-67.1-88.8000110.3I255 V256 F258 K357 Y410 C412I255-F359 CarbonylContact C-O 3.57Å; I255-F359 VanDerWaalsContact CA-O 3.24Å; I255-F359 WeakPolarHBondContact CA-O 3.48Å; I255-F359 WeakPolarHBondContact CB-O 3.15Å; V256-F359 PolarHBondContact N-O 3.15Å; V256-F359 PolarHBondContact O-N 2.86Å; F258-F359 AromaticContact CD2-CD2 3.64Å; F258-F359 HydrophobicContact CD2-CD2 3.64Å; F258-F359 HydrophobicContact CD2-CE2 4.06Å; F258-F359 HydrophobicContact CE2-CD2 4.04Å; K357-F359 HydrophobicContact CB-CD2 4.31Å; K357-F359 HydrophobicContact CB-CE2 3.6Å; K357-F359 HydrophobicContact CB-CZ 4.29Å; K357-F359 HydrophobicContact CD-CE2 4.34Å; K357-F359 HydrophobicContact CD-CZ 4.35Å; K357-F359 HydrophobicContact CG-CE2 4.49Å; F359-Y410 AromaticContact CE1-CD2 3.62Å; F359-Y410 HydrophobicContact CE1-CD2 3.62Å; F359-Y410 HydrophobicContact CE1-CE2 4.19Å; F359-Y410 HydrophobicContact CE1-CG 4.11Å; F359-Y410 AromaticContact CZ-CD2 3.99Å; F359-Y410 HydrophobicContact CZ-CD2 3.99Å; F359-Y410 HydrophobicContact CZ-CE2 4.09Å; F359-C412 HydrophobicContact CD1-CB 3.94Å; F359-C412 HydrophobicContact CE1-CB 3.6Å; F359-C412 HydrophobicContact CE2-CB 4.31Å; F359-C412 HydrophobicContact CG-CB 4.44Å; F359-C412 HydrophobicContact CZ-CB 3.82Å
360P93.1Very high90.8Very high37 Ų3767.3 Ų67.324%0.2435%0.353CS..EExtended strand (participates in β ladder)trans-63.4155.3166.729.4-35.6000111R362 M371P360-R362 PolarHBondContact O-N 3.16Å; P360-M371 HydrophobicContact CB-CB 4.3Å
361A90.6Very high90.7Very high9 Ų964 Ų647%0.07434%0.339CS..  trans-64.4133.9172.400000110.6R254 V256 D363 D364R254-A361 HydrophobicContact CB-CB 3.86Å; R254-A361 PolarHBondContact O-N 3.42Å; R254-A361 VanDerWaalsContact O-N 3.1Å; V256-A361 HydrophobicContact CG2-CB 4.33Å; A361-D363 WeakPolarHBondContact CB-OD1 3.43Å; A361-D363 PolarHBondContact O-N 3.49Å; A361-D364 HydrophobicContact CB-CB 4.26Å; A361-D364 PolarHBondContact O-N 3Å; A361-D364 VanDerWaalsContact O-N 3.11Å
362R84.3Confident90.8Very high242 Ų24262.9 Ų62.991%0.91334%0.336SS*.THydrogen-bonded Turntrans-62.1-25.2-174.1-79.3-173.9158-170.1-8.3114P360P360-R362 PolarHBondContact O-N 3.16Å
363D87.3Confident91.2Very high117 Ų11763.8 Ų63.863%0.62634%0.34SS*.THydrogen-bonded Turntrans-90.82.8-178.662.1-49.9000113.2R254 A361R254-D363 IonicContact CZ-OD2 3.25Å; R254-D363 IonicContact NH1-OD1 2.88Å; R254-D363 IonicContact NH1-OD2 2.84Å; R254-D363 PolarHBondContact NH1-OD2 3.18Å; R254-D363 IonicContact NH2-OD2 3.63Å; R254-D363 PolarHBondContact NH2-OD2 3.39Å; A361-D363 WeakPolarHBondContact CB-OD1 3.43Å; A361-D363 PolarHBondContact O-N 3.49Å
364D89.8Confident91.5Very high33 Ų3360.7 Ų60.718%0.17632%0.319CS..  trans-130.891.4-171.2-159.6-31000112.3R254 A361 H366 A367 G368R254-D364 IonicContact CZ-OD2 3.08Å; R254-D364 VanDerWaalsContact CZ-OD2 3.25Å; R254-D364 IonicContact NE-OD2 2.66Å; R254-D364 PolarHBondContact NE-OD2 3Å; R254-D364 VanDerWaalsContact NH2-CB 3.34Å; R254-D364 IonicContact NH2-OD2 3.52Å; R254-D364 PolarHBondContact NH2-OD2 3.46Å; A361-D364 HydrophobicContact CB-CB 4.26Å; A361-D364 PolarHBondContact O-N 3Å; A361-D364 VanDerWaalsContact O-N 3.11Å; D364-H366 VanDerWaalsContact C-N 3.29Å; D364-H366 PolarHBondContact O-N 3.13Å; D364-H366 PolarHBondContact OD1-N 3.17Å; D364-A367 HydrophobicContact CB-CB 3.72Å; D364-A367 VanDerWaalsContact CG-CB 3.48Å; D364-A367 PolarHBondContact O-N 2.71Å; D364-A367 PolarHBondContact OD1-N 3.29Å; D364-G368 PolarHBondContact O-N 3.36Å
365E90.5Very high91.7Very high172 Ų17257.8 Ų57.880%0.80431%0.305SS*.Hα-helixtrans-62.2-36.5177.2-66.9-176.9177.500112.2A367 G368 V369E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 3Å; E365-G368 WeakPolarHBondContact O-CA 3.44Å; E365-G368 PolarHBondContact O-N 2.95Å; E365-G368 VanDerWaalsContact O-N 3.09Å; E365-V369 PolarHBondContact O-N 3.16Å
366H90.8Very high91.8Very high160 Ų16062 Ų6274%0.74132%0.317SS*.Hα-helixtrans-65.3-40.1178-63.3-54.4000111.5D364 G368 V369 A370D364-H366 VanDerWaalsContact C-N 3.29Å; D364-H366 PolarHBondContact O-N 3.13Å; D364-H366 PolarHBondContact OD1-N 3.17Å; H366-G368 VanDerWaalsContact C-N 3.29Å; H366-G368 PolarHBondContact O-N 3.37Å; H366-V369 PolarHBondContact O-N 3.5Å; H366-A370 WeakPolarHBondContact O-CB 3.29Å; H366-A370 PolarHBondContact O-N 3.22Å
367A90.3Very high91.8Very high6 Ų662.9 Ų62.95%0.0533%0.328CS..Hα-helixtrans-62.7-37.9171.600000111.6I253 D364 E365 A370 M371I253-A367 HydrophobicContact CG2-CB 3.8Å; D364-A367 HydrophobicContact CB-CB 3.72Å; D364-A367 VanDerWaalsContact CG-CB 3.48Å; D364-A367 PolarHBondContact O-N 2.71Å; D364-A367 PolarHBondContact OD1-N 3.29Å; E365-A367 VanDerWaalsContact C-N 3.35Å; E365-A367 PolarHBondContact O-N 3Å; A367-A370 PolarHBondContact O-N 3.03Å; A367-M371 WeakPolarHBondContact O-CB 3.34Å; A367-M371 PolarHBondContact O-N 3.32Å
368G90.6Very high91.8Very high22 Ų2260.6 Ų60.623%0.22732%0.318CS..Hα-helixtrans-57.3-52.1173.700000113.1D364 E365 H366 A370 M371 S372D364-G368 PolarHBondContact O-N 3.36Å; E365-G368 WeakPolarHBondContact O-CA 3.44Å; E365-G368 PolarHBondContact O-N 2.95Å; E365-G368 VanDerWaalsContact O-N 3.09Å; H366-G368 VanDerWaalsContact C-N 3.29Å; H366-G368 PolarHBondContact O-N 3.37Å; G368-A370 PolarHBondContact O-N 3.16Å; G368-M371 PolarHBondContact O-N 3.29Å; G368-S372 WeakPolarHBondContact O-CB 3.34Å; G368-S372 PolarHBondContact O-N 3.49Å
369V92.7Very high91.9Very high106 Ų10664.3 Ų64.364%0.64234%0.338SS*.Hα-helixtrans-62.5-44.5178.7177.40000111.3E365 H366 M371 S372 A373E365-V369 PolarHBondContact O-N 3.16Å; H366-V369 PolarHBondContact O-N 3.5Å; V369-M371 VanDerWaalsContact C-N 3.34Å; V369-M371 PolarHBondContact O-N 3.03Å; V369-S372 PolarHBondContact O-N 3.37Å; V369-A373 WeakPolarHBondContact O-CB 3.33Å; V369-A373 PolarHBondContact O-N 3.36Å
370A92.5Very high92Very high35 Ų3569.6 Ų69.629%0.28936%0.363SS..Hα-helixtrans-63.9-39.9178.900000112.3I253 H366 A367 G368 L374I253-A370 HydrophobicContact CD1-CB 3.81Å; I253-A370 HydrophobicContact CG1-CB 4.18Å; H366-A370 WeakPolarHBondContact O-CB 3.29Å; H366-A370 PolarHBondContact O-N 3.22Å; A367-A370 PolarHBondContact O-N 3.03Å; G368-A370 PolarHBondContact O-N 3.16Å; A370-L374 WeakPolarHBondContact O-CB 3.46Å; A370-L374 PolarHBondContact O-N 3.42Å
371M91.7Very high92Very high1 Ų173.2 Ų73.21%0.00538%0.38CS..Hα-helixtrans-68.6-43.7178.4-166.467-108.700111.3L245 I255 P360 A367 G368 V369 L374 I375 L413L245-M371 HydrophobicContact CD2-CE 4.31Å; L245-M371 HydrophobicContact CD2-SD 3.87Å; I255-M371 HydrophobicContact CG2-SD 4.22Å; P360-M371 HydrophobicContact CB-CB 4.3Å; A367-M371 WeakPolarHBondContact O-CB 3.34Å; A367-M371 PolarHBondContact O-N 3.32Å; G368-M371 PolarHBondContact O-N 3.29Å; V369-M371 VanDerWaalsContact C-N 3.34Å; V369-M371 PolarHBondContact O-N 3.03Å; M371-L374 HydrophobicContact CE-CB 4.23Å; M371-L374 HydrophobicContact CE-CD2 3.78Å; M371-L374 HydrophobicContact CE-CG 4.26Å; M371-L374 PolarHBondContact O-N 2.69Å; M371-I375 HydrophobicContact CE-CD1 3.86Å; M371-I375 HydrophobicContact CE-CG1 3.63Å; M371-I375 HydrophobicContact CG-CD1 3.98Å; M371-I375 VanDerWaalsContact O-CG1 3.27Å; M371-I375 WeakPolarHBondContact O-CG1 3.31Å; M371-I375 PolarHBondContact O-N 2.88Å; M371-L413 HydrophobicContact CE-CD1 3.26Å; M371-L413 HydrophobicContact CE-CD2 4.45Å; M371-L413 HydrophobicContact CE-CG 3.57Å; M371-L413 HydrophobicContact SD-CD1 4.4Å
372S92.4Very high92.2Very high30 Ų3076.3 Ų76.321%0.2140%0.395CS..Hα-helixtrans-61.2-45.9175.4179.50000111.5G368 V369 L374 I375 R376 E411G368-S372 WeakPolarHBondContact O-CB 3.34Å; G368-S372 PolarHBondContact O-N 3.49Å; V369-S372 PolarHBondContact O-N 3.37Å; S372-L374 VanDerWaalsContact C-N 3.29Å; S372-L374 PolarHBondContact O-N 3.1Å; S372-I375 PolarHBondContact O-N 3.45Å; S372-R376 WeakPolarHBondContact O-CG 3.43Å; S372-R376 PolarHBondContact O-N 3.29Å; S372-E411 WeakPolarHBondContact CA-OE2 3.47Å; S372-E411 VanDerWaalsContact CB-OE2 3.25Å; S372-E411 WeakPolarHBondContact CB-OE2 3.45Å; S372-E411 PolarHBondContact OG-OE2 3.49Å
373A93.4Very high92.7Very high64 Ų6467.4 Ų67.453%0.52936%0.364SS..Hα-helixtrans-58.9-40175.700000112.4V369 G377V369-A373 WeakPolarHBondContact O-CB 3.33Å; V369-A373 PolarHBondContact O-N 3.36Å; A373-G377 PolarHBondContact O-N 3.48Å
374L93.2Very high93.1Very high32 Ų3261.8 Ų61.817%0.16834%0.335CS..Hα-helixtrans-67.7-44.6175.9179.863.4000112.3L245 I247 F339 A370 M371 S372 G377 L378L245-L374 HydrophobicContact CD2-CD2 3.95Å; I247-L374 HydrophobicContact CD1-CD1 4.39Å; I247-L374 HydrophobicContact CD1-CD2 3.78Å; F339-L374 HydrophobicContact CE1-CD1 4.28Å; F339-L374 HydrophobicContact CZ-CD1 4.35Å; A370-L374 WeakPolarHBondContact O-CB 3.46Å; A370-L374 PolarHBondContact O-N 3.42Å; M371-L374 HydrophobicContact CE-CB 4.23Å; M371-L374 HydrophobicContact CE-CD2 3.78Å; M371-L374 HydrophobicContact CE-CG 4.26Å; M371-L374 PolarHBondContact O-N 2.69Å; S372-L374 VanDerWaalsContact C-N 3.29Å; S372-L374 PolarHBondContact O-N 3.1Å; L374-G377 PolarHBondContact O-N 3.22Å; L374-L378 HydrophobicContact CD1-CD1 4.36Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.23Å; L374-L378 VanDerWaalsContact O-CG 3.27Å; L374-L378 WeakPolarHBondContact O-CG 3.3Å; L374-L378 PolarHBondContact O-N 2.61Å
375I94.5Very high93.3Very high1 Ų160.3 Ų60.31%0.00533%0.327CS..Hα-helixtrans-62.9-48.7-179.4-69.8162.9000110.3M371 S372 L378 D379 P404 I406 E411 L413M371-I375 HydrophobicContact CE-CD1 3.86Å; M371-I375 HydrophobicContact CE-CG1 3.63Å; M371-I375 HydrophobicContact CG-CD1 3.98Å; M371-I375 VanDerWaalsContact O-CG1 3.27Å; M371-I375 WeakPolarHBondContact O-CG1 3.31Å; M371-I375 PolarHBondContact O-N 2.88Å; S372-I375 PolarHBondContact O-N 3.45Å; I375-L378 PolarHBondContact O-N 3.25Å; I375-D379 PolarHBondContact O-N 3.13Å; I375-P404 HydrophobicContact CG2-CB 3.87Å; I375-I406 HydrophobicContact CG2-CD1 4.36Å; I375-I406 HydrophobicContact CG2-CG1 3.85Å; I375-E411 HydrophobicContact CD1-CB 4.1Å; I375-E411 HydrophobicContact CG2-CB 4.49Å; I375-L413 HydrophobicContact CD1-CG 4.43Å; I375-L413 HydrophobicContact CG1-CD2 3.88Å; I375-L413 HydrophobicContact CG1-CG 3.94Å
376R94.4Very high93.6Very high128 Ų12853.8 Ų53.848%0.48330%0.297SS..Hα-helixtrans-63.5-42.9178.2-67.7-179.5-176.6-177.10.7111.8S372 L378 D379 E380 I406 E411S372-R376 WeakPolarHBondContact O-CG 3.43Å; S372-R376 PolarHBondContact O-N 3.29Å; R376-L378 VanDerWaalsContact C-N 3.3Å; R376-L378 PolarHBondContact O-N 3.09Å; R376-D379 PolarHBondContact O-N 3.06Å; R376-D379 VanDerWaalsContact O-N 3.14Å; R376-E380 WeakPolarHBondContact O-CB 3.45Å; R376-E380 WeakPolarHBondContact O-CG 3.25Å; R376-E380 PolarHBondContact O-N 2.94Å; R376-I406 HydrophobicContact CG-CD1 4.37Å; R376-E411 IonicContact CZ-OE1 3.25Å; R376-E411 VanDerWaalsContact CZ-OE1 3.25Å; R376-E411 IonicContact NE-OE1 2.88Å; R376-E411 PolarHBondContact NE-OE1 3.44Å; R376-E411 IonicContact NE-OE2 3.67Å; R376-E411 IonicContact NH2-OE1 2.75Å; R376-E411 PolarHBondContact NH2-OE1 3.5Å
377G94.6Very high93.8Very high25 Ų2546.2 Ų46.226%0.25826%0.262SS..Hα-helixtrans-62.3-34.7175.600000113.5A373 L374 L381A373-G377 PolarHBondContact O-N 3.48Å; L374-G377 PolarHBondContact O-N 3.22Å; G377-L381 WeakPolarHBondContact O-CB 3.19Å; G377-L381 WeakPolarHBondContact O-CD1 3.38Å; G377-L381 VanDerWaalsContact O-CG 3.26Å; G377-L381 WeakPolarHBondContact O-CG 3.35Å; G377-L381 PolarHBondContact O-N 3.48Å
378L94.1Very high94.1Very high4 Ų449.2 Ų49.22%0.02127%0.272CS..Hα-helixtrans-69.3-39.8173.2-73.2173.4000112.1F339 L374 I375 R376 N382 M383 A385 P404 L413F339-L378 HydrophobicContact CD1-CD2 3.59Å; F339-L378 HydrophobicContact CE1-CD2 3.81Å; L374-L378 HydrophobicContact CD1-CD1 4.36Å; L374-L378 HydrophobicContact CD1-CG 4.37Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 WeakPolarHBondContact O-CB 3.23Å; L374-L378 VanDerWaalsContact O-CG 3.27Å; L374-L378 WeakPolarHBondContact O-CG 3.3Å; L374-L378 PolarHBondContact O-N 2.61Å; I375-L378 PolarHBondContact O-N 3.25Å; R376-L378 VanDerWaalsContact C-N 3.3Å; R376-L378 PolarHBondContact O-N 3.09Å; L378-N382 WeakPolarHBondContact O-CA 3.43Å; L378-N382 PolarHBondContact O-N 2.83Å; L378-N382 VanDerWaalsContact O-N 3.1Å; L378-M383 HydrophobicContact CD2-CB 3.95Å; L378-M383 PolarHBondContact O-N 2.67Å; L378-A385 HydrophobicContact CD1-CB 4.39Å; L378-P404 HydrophobicContact CB-CB 4.14Å; L378-P404 HydrophobicContact CB-CG 3.94Å; L378-L413 HydrophobicContact CD1-CD2 4.03Å
379D94.9Very high94.2Very high80 Ų8048.9 Ų48.943%0.42826%0.264SS..Hα-helixtrans-69.8-49.3-179.5-164.156.8000111.9I375 R376 L381 N382 P404 I406I375-D379 PolarHBondContact O-N 3.13Å; R376-D379 PolarHBondContact O-N 3.06Å; R376-D379 VanDerWaalsContact O-N 3.14Å; D379-L381 VanDerWaalsContact C-N 3.26Å; D379-L381 PolarHBondContact O-N 2.89Å; D379-N382 PolarHBondContact O-N 2.99Å; D379-P404 HydrophobicContact CB-CB 4.22Å; D379-P404 HydrophobicContact CB-CG 4.23Å; D379-I406 HydrophobicContact CB-CD1 3.92Å
380E95.4Very high94.2Very high158 Ų15843.8 Ų43.874%0.73823%0.234SC*.Hα-helixtrans-57.4-38.1177.5-73.4175-168.400112.4R376 N382R376-E380 WeakPolarHBondContact O-CB 3.45Å; R376-E380 WeakPolarHBondContact O-CG 3.25Å; R376-E380 PolarHBondContact O-N 2.94Å; E380-N382 VanDerWaalsContact C-N 3.35Å
381L94.4Very high94.2Very high113 Ų11347.2 Ų47.259%0.59224%0.24SC*.THydrogen-bonded Turntrans-89.9-0.1179.9-60173.3000113.1G377 D379 M383G377-L381 WeakPolarHBondContact O-CB 3.19Å; G377-L381 WeakPolarHBondContact O-CD1 3.38Å; G377-L381 VanDerWaalsContact O-CG 3.26Å; G377-L381 WeakPolarHBondContact O-CG 3.35Å; G377-L381 PolarHBondContact O-N 3.48Å; D379-L381 VanDerWaalsContact C-N 3.26Å; D379-L381 PolarHBondContact O-N 2.89Å; L381-M383 HydrophobicContact CB-CB 4.47Å; L381-M383 HydrophobicContact CB-CE 3.58Å; L381-M383 HydrophobicContact CB-CG 4.03Å; L381-M383 HydrophobicContact CD1-CE 3.37Å; L381-M383 HydrophobicContact CG-CE 4.08Å; L381-M383 WeakPolarHBondContact O-CG 3.46Å; L381-M383 PolarHBondContact O-N 2.96Å
382N94.1Very high94Very high73 Ų7350.7 Ų50.739%0.3926%0.258SS..THydrogen-bonded Turntrans48.645.4-173.9-16515.8000112.7K342 L378 D379 E380K342-N382 VanDerWaalsContact CB-OD1 3.26Å; K342-N382 WeakPolarHBondContact CB-OD1 3.42Å; K342-N382 WeakPolarHBondContact CD-OD1 3.3Å; K342-N382 PolarHBondContact N-O 3.1Å; L378-N382 WeakPolarHBondContact O-CA 3.43Å; L378-N382 PolarHBondContact O-N 2.83Å; L378-N382 VanDerWaalsContact O-N 3.1Å; D379-N382 PolarHBondContact O-N 2.99Å; E380-N382 VanDerWaalsContact C-N 3.35Å
383M94.9Very high93.8Very high55 Ų5558 Ų5827%0.27128%0.281SS..EExtended strand (participates in β ladder)trans-112.2161.2-178.7-71.6-158.6-74.300112.1F339 T340 L378 L381F339-M383 HydrophobicContact CB-SD 4.35Å; T340-M383 CarbonylContact O-C 3.5Å; T340-M383 VanDerWaalsContact O-CA 3.28Å; T340-M383 WeakPolarHBondContact O-CA 3.33Å; L378-M383 HydrophobicContact CD2-CB 3.95Å; L378-M383 PolarHBondContact O-N 2.67Å; L381-M383 HydrophobicContact CB-CB 4.47Å; L381-M383 HydrophobicContact CB-CE 3.58Å; L381-M383 HydrophobicContact CB-CG 4.03Å; L381-M383 HydrophobicContact CD1-CE 3.37Å; L381-M383 HydrophobicContact CG-CE 4.08Å; L381-M383 WeakPolarHBondContact O-CG 3.46Å; L381-M383 PolarHBondContact O-N 2.96Å
384V95.1Very high93.5Very high0 Ų066 Ų660%030%0.298CS..EExtended strand (participates in β ladder)trans-133.8141.1-178.7178.50000107.9F339 T340 K342 A401 A402 F403F339-V384 WeakPolarHBondContact CA-O 3.45Å; T340-V384 HydrophobicContact CG2-CB 4.5Å; T340-V384 PolarHBondContact N-O 3.28Å; T340-V384 PolarHBondContact O-N 3.31Å; K342-V384 HydrophobicContact CB-CG2 3.86Å; K342-V384 HydrophobicContact CG-CG2 3.97Å; V384-A401 HydrophobicContact CG1-CB 3.73Å; V384-A402 WeakPolarHBondContact CG1-O 3.49Å; V384-F403 HydrophobicContact CB-CD1 4.36Å; V384-F403 HydrophobicContact CB-CE1 4.42Å; V384-F403 HydrophobicContact CG1-CD1 3.84Å; V384-F403 HydrophobicContact CG1-CE1 3.86Å; V384-F403 HydrophobicContact CG1-CG 4.19Å; V384-F403 HydrophobicContact CG1-CZ 4.21Å; V384-F403 HydrophobicContact CG2-CD1 3.48Å; V384-F403 VanDerWaalsContact CG2-CD1 3.48Å; V384-F403 HydrophobicContact CG2-CE1 3.66Å; V384-F403 HydrophobicContact CG2-CG 4.43Å
385A95.6Very high93.2Very high2 Ų266.2 Ų66.22%0.01730%0.302CS..EExtended strand (participates in β ladder)trans-89.7128.3177.300000110.5V336 F339 L378 V387 A401 A402V336-A385 HydrophobicContact CG1-CB 4.31Å; F339-A385 HydrophobicContact CD1-CB 3.81Å; F339-A385 HydrophobicContact CE1-CB 3.69Å; L378-A385 HydrophobicContact CD1-CB 4.39Å; A385-V387 HydrophobicContact CB-CG1 4.19Å; A385-A401 CarbonylContact O-C 3.54Å; A385-A401 WeakPolarHBondContact O-CA 3.44Å; A385-A402 HydrophobicContact CB-CB 4.32Å; A385-A402 PolarHBondContact N-O 3.43Å; A385-A402 PolarHBondContact O-N 2.84Å
386I96.5Very high93Very high35 Ų3572.3 Ų72.318%0.17933%0.334CS..EExtended strand (participates in β ladder)trans-87.1123.8168.9-56.5-57.1000107.8L337 G338 T340 V345 V399 G400 A401 L418L337-I386 HydrophobicContact CB-CG2 4.41Å; L337-I386 HydrophobicContact CD1-CG2 4.4Å; L337-I386 PolarHBondContact N-O 2.86Å; G338-I386 PolarHBondContact N-O 2.94Å; G338-I386 PolarHBondContact O-N 3.34Å; T340-I386 HydrophobicContact CG2-CD1 3.88Å; T340-I386 HydrophobicContact CG2-CG1 4.02Å; V345-I386 HydrophobicContact CG2-CD1 4.49Å; I386-V399 HydrophobicContact CG2-CG1 3.85Å; I386-G400 CarbonylContact C-O 3.38Å; I386-G400 WeakPolarHBondContact CA-O 3.17Å; I386-A401 HydrophobicContact CD1-CB 4.27Å; I386-L418 HydrophobicContact CD1-CD1 3.82Å
387V95.6Very high92.9Very high1 Ų167.3 Ų67.31%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-127.4141.4-170.6-58.20000111.6F334 A335 V336 A385 V399 G400 A402 Y415F334-V387 HydrophobicContact CD2-CG2 4.43Å; F334-V387 HydrophobicContact CE1-CB 4.49Å; F334-V387 HydrophobicContact CE1-CG1 4.2Å; F334-V387 HydrophobicContact CE1-CG2 4.49Å; F334-V387 HydrophobicContact CE2-CB 4.14Å; F334-V387 HydrophobicContact CE2-CG2 3.57Å; F334-V387 HydrophobicContact CZ-CB 4.02Å; F334-V387 HydrophobicContact CZ-CG1 4.03Å; F334-V387 HydrophobicContact CZ-CG2 3.58Å; A335-V387 CarbonylContact O-C 3.59Å; A335-V387 VanDerWaalsContact O-CA 3.24Å; A335-V387 WeakPolarHBondContact O-CA 3.41Å; V336-V387 HydrophobicContact CG2-CG1 4.12Å; A385-V387 HydrophobicContact CB-CG1 4.19Å; V387-V399 WeakPolarHBondContact O-CA 3.31Å; V387-G400 PolarHBondContact N-O 2.96Å; V387-G400 PolarHBondContact O-N 3.36Å; V387-A402 HydrophobicContact CG1-CB 4.06Å; V387-A402 HydrophobicContact CG2-CB 4.34Å; V387-Y415 HydrophobicContact CG2-CD2 3.46Å; V387-Y415 VanDerWaalsContact CG2-CD2 3.46Å; V387-Y415 HydrophobicContact CG2-CE2 3.55Å
388R94.8Very high92.8Very high68 Ų6868.9 Ų68.926%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-86.6115.1164.4-175.9-172.8-176.3-152.74.7108.4Y327 F334 A335 L337 P397 Q398Y327-R388 PolarHBondContact OH-NH2 3.23Å; F334-R388 WeakPolarHBondContact CA-O 3.24Å; A335-R388 HydrophobicContact CB-CB 4.49Å; A335-R388 PolarHBondContact N-O 3.36Å; A335-R388 PolarHBondContact O-N 2.78Å; L337-R388 HydrophobicContact CD1-CB 4.19Å; L337-R388 HydrophobicContact CD2-CB 4.11Å; L337-R388 HydrophobicContact CG-CB 4.14Å; R388-P397 HydrophobicContact CG-CB 4.38Å; R388-Q398 CarbonylContact C-O 3.58Å; R388-Q398 WeakPolarHBondContact CA-O 3.27Å
389Y93.9Very high92.9Very high15 Ų1570.6 Ų70.66%0.05933%0.33CS..EExtended strand (participates in β ladder)trans-111.4125.3179167.4-99.7000109.7W241 C333 F334 Y391 Q398 Y415W241-Y389 HydrophobicContact CE3-CE2 4.24Å; W241-Y389 AromaticContact CH2-CD2 3.61Å; W241-Y389 HydrophobicContact CH2-CD2 3.61Å; W241-Y389 AromaticContact CH2-CE2 3.37Å; W241-Y389 HydrophobicContact CH2-CE2 3.37Å; W241-Y389 HydrophobicContact CZ2-CD2 4.26Å; W241-Y389 AromaticContact CZ2-CE2 3.74Å; W241-Y389 HydrophobicContact CZ2-CE2 3.74Å; W241-Y389 HydrophobicContact CZ3-CD2 4.05Å; W241-Y389 AromaticContact CZ3-CE2 3.64Å; W241-Y389 HydrophobicContact CZ3-CE2 3.64Å; C333-Y389 WeakPolarHBondContact O-CA 3.46Å; F334-Y389 AromaticContact CD2-CD2 3.79Å; F334-Y389 HydrophobicContact CD2-CD2 3.79Å; F334-Y389 HydrophobicContact CD2-CG 4.43Å; F334-Y389 HydrophobicContact CE2-CD2 4.11Å; Y389-Y391 VanDerWaalsContact OH-CD2 3.3Å; Y389-Y391 WeakPolarHBondContact OH-CD2 3.28Å; Y389-Q398 HydrophobicContact CD1-CB 4.28Å; Y389-Q398 PolarHBondContact N-O 2.96Å; Y389-Q398 PolarHBondContact O-N 2.94Å; Y389-Y415 VanDerWaalsContact CB-CZ 3.46Å; Y389-Y415 WeakPolarHBondContact CB-OH 3.35Å; Y389-Y415 AromaticContact CD1-CE1 3.65Å; Y389-Y415 HydrophobicContact CD1-CE1 3.65Å; Y389-Y415 AromaticContact CD1-CZ 3.77Å; Y389-Y415 HydrophobicContact CD2-CE1 4.32Å; Y389-Y415 HydrophobicContact CE1-CE1 4.09Å; Y389-Y415 HydrophobicContact CG-CD1 4.41Å; Y389-Y415 AromaticContact CG-CE1 3.77Å; Y389-Y415 HydrophobicContact CG-CE1 3.77Å; Y389-Y415 HydrophobicContact CG-CE2 4.27Å; Y389-Y415 AromaticContact CG-CZ 3.7Å
390A93.2Very high92.9Very high0 Ų066.8 Ų66.80%031%0.31CS..EExtended strand (participates in β ladder)trans-131.2120.8169.400000108.6W241 K332 C333 P397W241-A390 WeakPolarHBondContact CZ2-O 3.24Å; K332-A390 WeakPolarHBondContact CA-O 3.48Å; C333-A390 PolarHBondContact N-O 3.32Å; C333-A390 VanDerWaalsContact N-O 3.09Å; C333-A390 PolarHBondContact O-N 3.42Å; C333-A390 VanDerWaalsContact SG-CB 3.5Å; A390-P397 HydrophobicContact CB-CB 4.31Å; A390-P397 HydrophobicContact CB-CG 4.35Å
391Y90.6Very high92.9Very high106 Ų10659.3 Ų59.342%0.41627%0.274SS..SBendtrans-68-46.4-173.4-176.3-101.4000112.3W241 Y389 S395W241-Y391 HydrophobicContact CB-CE2 4.48Å; W241-Y391 AromaticContact CD1-CD2 3.54Å; W241-Y391 AromaticContact CD1-CE2 3.22Å; W241-Y391 AromaticContact CD1-CZ 3.82Å; W241-Y391 HydrophobicContact CD2-CD2 4.33Å; W241-Y391 HydrophobicContact CD2-CE2 4.46Å; W241-Y391 AromaticContact CE2-CD2 3.8Å; W241-Y391 HydrophobicContact CG-CD2 4.18Å; W241-Y391 AromaticContact CG-CE2 3.85Å; W241-Y391 HydrophobicContact CG-CE2 3.85Å; W241-Y391 HydrophobicContact CZ2-CD2 4.49Å; W241-Y391 AromaticContact NE1-CD2 3.27Å; W241-Y391 VanDerWaalsContact NE1-CD2 3.27Å; W241-Y391 AromaticContact NE1-CE2 3.51Å; W241-Y391 AromaticContact NE1-CG 3.84Å; W241-Y391 PolarHBondContact NE1-O 2.89Å; Y389-Y391 VanDerWaalsContact OH-CD2 3.3Å; Y389-Y391 WeakPolarHBondContact OH-CD2 3.28Å; Y391-S395 PolarHBondContact N-OG 3.39Å; Y391-S395 VanDerWaalsContact N-OG 3.15Å
392D89Confident93Very high74 Ų7453.9 Ų53.940%0.39625%0.246SC..SBendtrans-156173.3177.2-170.618.8000110.4H329 R394 S395H329-D392 PolarHBondContact CE1-O 3.23Å; H329-D392 VanDerWaalsContact CE1-O 3.23Å; D392-R394 PolarHBondContact O-N 2.82Å; D392-S395 PolarHBondContact N-OG 3.24Å; D392-S395 PolarHBondContact O-N 2.94Å; D392-S395 PolarHBondContact O-OG 3.36Å
393R87.8Confident93Very high185 Ų18551.6 Ų51.670%0.69823%0.233SC*.THydrogen-bonded Turntrans-56.4-20.3177.5-72.8177.7177.21591.4115
394R86.7Confident93Very high231 Ų23149.9 Ų49.987%0.87223%0.226SC*.THydrogen-bonded Turntrans-90.3-19.7-179.7-60.3-179.4-177.3-173.40.3113.1D392D392-R394 PolarHBondContact O-N 2.82Å
395S87.5Confident92.8Very high36 Ų3651.1 Ų51.125%0.25223%0.234SC..SBendtrans-94.2134.3-175.660.90000110.4H329 Y391 D392H329-S395 PolarHBondContact NE2-O 3.42Å; Y391-S395 PolarHBondContact N-OG 3.39Å; Y391-S395 VanDerWaalsContact N-OG 3.15Å; D392-S395 PolarHBondContact N-OG 3.24Å; D392-S395 PolarHBondContact O-N 2.94Å; D392-S395 PolarHBondContact O-OG 3.36Å
396N89.4Confident92.6Very high129 Ų12954.7 Ų54.769%0.6925%0.252SS*.PPolyproline II helixtrans-59.7136.5174.1-64.2-23.8000110.8Q398N396-Q398 PolarHBondContact O-N 3.3Å
397P92.6Very high92.3Very high24 Ų2457.9 Ų57.916%0.15627%0.265CS..PPolyproline II helixtrans-60.1134.9173.6-2434.5000111.1Y327 H329 R388 A390Y327-P397 HydrophobicContact CE1-CG 4.09Å; H329-P397 HydrophobicContact CB-CG 4.2Å; R388-P397 HydrophobicContact CG-CB 4.38Å; A390-P397 HydrophobicContact CB-CB 4.31Å; A390-P397 HydrophobicContact CB-CG 4.35Å
398Q93.6Very high91.7Very high57 Ų5764.6 Ų64.627%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-110.1151.2177.7-58.1-179-40.400109.2R388 Y389 N396 Q417R388-Q398 CarbonylContact C-O 3.58Å; R388-Q398 WeakPolarHBondContact CA-O 3.27Å; Y389-Q398 HydrophobicContact CD1-CB 4.28Å; Y389-Q398 PolarHBondContact N-O 2.96Å; Y389-Q398 PolarHBondContact O-N 2.94Å; N396-Q398 PolarHBondContact O-N 3.3Å; Q398-Q417 HydrophobicContact CB-CG 4.42Å; Q398-Q417 VanDerWaalsContact NE2-OE1 3.11Å
399V94.8Very high91.2Very high41 Ų4169 Ų6925%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-103.6139.3167.61800000107.6L337 I386 V387 L418 F420L337-V399 HydrophobicContact CD1-CG1 4.36Å; L337-V399 HydrophobicContact CD1-CG2 4.38Å; I386-V399 HydrophobicContact CG2-CG1 3.85Å; V387-V399 WeakPolarHBondContact O-CA 3.31Å; V399-L418 PolarHBondContact O-N 3.07Å; V399-F420 HydrophobicContact CB-CE1 4.37Å; V399-F420 HydrophobicContact CG2-CE1 3.82Å; V399-F420 HydrophobicContact CG2-CZ 4.13Å
400G95.3Very high90.9Very high0 Ų071 Ų710%034%0.34CS..EExtended strand (participates in β ladder)trans-154.6175.7176.100000113.1I386 V387 Y415 V416I386-G400 CarbonylContact C-O 3.38Å; I386-G400 WeakPolarHBondContact CA-O 3.17Å; V387-G400 PolarHBondContact N-O 2.96Å; V387-G400 PolarHBondContact O-N 3.36Å; G400-Y415 VanDerWaalsContact CA-CE2 3.49Å; G400-V416 CarbonylContact C-O 3.56Å; G400-V416 WeakPolarHBondContact CA-O 3.36Å
401A95.9Very high90.8Very high0 Ų072.9 Ų72.90%035%0.349CS..EExtended strand (participates in β ladder)trans-103.9134.7175.900000109.8V345 V384 A385 I386 F403 Y415 V416 L418V345-A401 HydrophobicContact CG1-CB 4.1Å; V384-A401 HydrophobicContact CG1-CB 3.73Å; A385-A401 CarbonylContact O-C 3.54Å; A385-A401 WeakPolarHBondContact O-CA 3.44Å; I386-A401 HydrophobicContact CD1-CB 4.27Å; A401-F403 HydrophobicContact CB-CD2 4.29Å; A401-F403 HydrophobicContact CB-CE2 3.54Å; A401-F403 HydrophobicContact CB-CZ 3.75Å; A401-Y415 WeakPolarHBondContact O-CA 3.34Å; A401-V416 PolarHBondContact N-O 3.43Å; A401-V416 PolarHBondContact O-N 3.34Å; A401-L418 HydrophobicContact CB-CD1 3.94Å; A401-L418 HydrophobicContact CB-CD2 4.4Å; A401-L418 HydrophobicContact CB-CG 4.18Å
402A95.8Very high90.9Very high0 Ų067.9 Ų67.90%033%0.329CS..EExtended strand (participates in β ladder)trans-108109.1173.100000109.5F334 V384 A385 V387 L413 L414F334-A402 HydrophobicContact CZ-CB 4.36Å; V384-A402 WeakPolarHBondContact CG1-O 3.49Å; A385-A402 HydrophobicContact CB-CB 4.32Å; A385-A402 PolarHBondContact N-O 3.43Å; A385-A402 PolarHBondContact O-N 2.84Å; V387-A402 HydrophobicContact CG1-CB 4.06Å; V387-A402 HydrophobicContact CG2-CB 4.34Å; A402-L413 HydrophobicContact CB-CB 4.48Å; A402-L413 HydrophobicContact CB-CD1 4.27Å; A402-L414 CarbonylContact C-O 3.54Å; A402-L414 VanDerWaalsContact CA-O 3.28Å; A402-L414 WeakPolarHBondContact CA-O 3.49Å
403F94.9Very high91.1Very high24 Ų2464.5 Ų64.511%0.10531%0.311CS..EExtended strand (participates in β ladder)trans-93.5139-177.3-61.3-90.7000111.3V345 F350 V384 A401 L413 L414 V416V345-F403 HydrophobicContact CB-CE1 4.49Å; V345-F403 HydrophobicContact CB-CZ 4.29Å; V345-F403 HydrophobicContact CG1-CZ 3.91Å; F350-F403 AromaticContact CE1-CE2 3.98Å; F350-F403 HydrophobicContact CE1-CE2 3.98Å; F350-F403 AromaticContact CE1-CZ 3.68Å; F350-F403 HydrophobicContact CE1-CZ 3.68Å; F350-F403 HydrophobicContact CZ-CE1 4.41Å; F350-F403 AromaticContact CZ-CE2 3.75Å; F350-F403 HydrophobicContact CZ-CE2 3.75Å; F350-F403 AromaticContact CZ-CZ 3.48Å; F350-F403 HydrophobicContact CZ-CZ 3.48Å; F350-F403 VanDerWaalsContact CZ-CZ 3.48Å; V384-F403 HydrophobicContact CB-CD1 4.36Å; V384-F403 HydrophobicContact CB-CE1 4.42Å; V384-F403 HydrophobicContact CG1-CD1 3.84Å; V384-F403 HydrophobicContact CG1-CE1 3.86Å; V384-F403 HydrophobicContact CG1-CG 4.19Å; V384-F403 HydrophobicContact CG1-CZ 4.21Å; V384-F403 HydrophobicContact CG2-CD1 3.48Å; V384-F403 VanDerWaalsContact CG2-CD1 3.48Å; V384-F403 HydrophobicContact CG2-CE1 3.66Å; V384-F403 HydrophobicContact CG2-CG 4.43Å; A401-F403 HydrophobicContact CB-CD2 4.29Å; A401-F403 HydrophobicContact CB-CE2 3.54Å; A401-F403 HydrophobicContact CB-CZ 3.75Å; F403-L413 CarbonylContact O-C 3.49Å; F403-L413 WeakPolarHBondContact O-CA 3.47Å; F403-L414 HydrophobicContact CB-CB 4.33Å; F403-L414 PolarHBondContact N-O 3.04Å; F403-L414 PolarHBondContact O-N 3.46Å; F403-V416 HydrophobicContact CD2-CG2 4.32Å; F403-V416 HydrophobicContact CE2-CB 4.27Å; F403-V416 HydrophobicContact CE2-CG2 4.19Å
404P94.8Very high91.4Very high19 Ų1957.7 Ų57.712%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-67.7136.5170.230.1-34000110.8I375 L378 D379I375-P404 HydrophobicContact CG2-CB 3.87Å; L378-P404 HydrophobicContact CB-CB 4.14Å; L378-P404 HydrophobicContact CB-CG 3.94Å; D379-P404 HydrophobicContact CB-CB 4.22Å; D379-P404 HydrophobicContact CB-CG 4.23Å
405C91.3Very high91.9Very high26 Ų2646.9 Ų46.918%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-135.8109.9173.6-178.40000109C412 L414C405-C412 PolarHBondContact N-O 3.21Å; C405-C412 PolarHBondContact O-N 3.07Å; C405-L414 HydrophobicContact CB-CD1 3.79Å; C405-L414 HydrophobicContact CB-CG 3.94Å
406I91.6Very high92.2Very high77 Ų7745.9 Ų45.940%0.39524%0.24SC..EExtended strand (participates in β ladder)trans-106.7119.4179.5-58174000107.3I375 R376 D379 E411I375-I406 HydrophobicContact CG2-CD1 4.36Å; I375-I406 HydrophobicContact CG2-CG1 3.85Å; R376-I406 HydrophobicContact CG-CD1 4.37Å; D379-I406 HydrophobicContact CB-CD1 3.92Å; I406-E411 HydrophobicContact CG1-CG 4.45Å; I406-E411 HydrophobicContact CG2-CG 4.24Å
407K88.8Confident92.5Very high103 Ų10341.3 Ų41.345%0.44821%0.214SC..  trans-120.5161.2171.4-68.6-158.2177.7-160.30109.5E409 Y410K407-E409 VanDerWaalsContact C-N 3.28Å; K407-E409 PolarHBondContact O-N 3.02Å; K407-Y410 WeakPolarHBondContact CA-O 3.34Å; K407-Y410 WeakPolarHBondContact CB-O 3.41Å; K407-Y410 HydrophobicContact CD-CE1 4.03Å; K407-Y410 HydrophobicContact CD-CE2 4.31Å; K407-Y410 HydrophobicContact CG-CE2 4.5Å; K407-Y410 PolarHBondContact N-O 2.86Å; K407-Y410 PolarHBondContact O-N 3.21Å; K407-Y410 VanDerWaalsContact O-O 3.06Å
408P84.1Confident92.6Very high142 Ų14241.1 Ų41.192%0.92221%0.212SC*.SBendtrans-55.2-42.1179.2-25.934.9000113.2
409E84.2Confident92.5Very high159 Ų15939.6 Ų39.674%0.74321%0.207SC*.SBendtrans-80.2-30.7-179-68159.4-134.800114.1K407K407-E409 VanDerWaalsContact C-N 3.28Å; K407-E409 PolarHBondContact O-N 3.02Å
410Y86.9Confident92.4Very high59 Ų5941.8 Ų41.823%0.23121%0.213CC..  trans-157.5154.5-171.966.3-95000114.5K357 F359 K407 C412K357-Y410 PolarHBondContact NZ-OH 2.89Å; F359-Y410 AromaticContact CE1-CD2 3.62Å; F359-Y410 HydrophobicContact CE1-CD2 3.62Å; F359-Y410 HydrophobicContact CE1-CE2 4.19Å; F359-Y410 HydrophobicContact CE1-CG 4.11Å; F359-Y410 AromaticContact CZ-CD2 3.99Å; F359-Y410 HydrophobicContact CZ-CD2 3.99Å; F359-Y410 HydrophobicContact CZ-CE2 4.09Å; K407-Y410 WeakPolarHBondContact CA-O 3.34Å; K407-Y410 WeakPolarHBondContact CB-O 3.41Å; K407-Y410 HydrophobicContact CD-CE1 4.03Å; K407-Y410 HydrophobicContact CD-CE2 4.31Å; K407-Y410 HydrophobicContact CG-CE2 4.5Å; K407-Y410 PolarHBondContact N-O 2.86Å; K407-Y410 PolarHBondContact O-N 3.21Å; K407-Y410 VanDerWaalsContact O-O 3.06Å; Y410-C412 HydrophobicContact CD2-CB 4.21Å; Y410-C412 HydrophobicContact CE2-CB 4.4Å
411E90.7Very high92.1Very high39 Ų3949.3 Ų49.318%0.18225%0.25CS..EExtended strand (participates in β ladder)trans-112.1132.9170.7-62.6178-178.600109.5S372 I375 R376 I406S372-E411 WeakPolarHBondContact CA-OE2 3.47Å; S372-E411 VanDerWaalsContact CB-OE2 3.25Å; S372-E411 WeakPolarHBondContact CB-OE2 3.45Å; S372-E411 PolarHBondContact OG-OE2 3.49Å; I375-E411 HydrophobicContact CD1-CB 4.1Å; I375-E411 HydrophobicContact CG2-CB 4.49Å; R376-E411 IonicContact CZ-OE1 3.25Å; R376-E411 VanDerWaalsContact CZ-OE1 3.25Å; R376-E411 IonicContact NE-OE1 2.88Å; R376-E411 PolarHBondContact NE-OE1 3.44Å; R376-E411 IonicContact NE-OE2 3.67Å; R376-E411 IonicContact NH2-OE1 2.75Å; R376-E411 PolarHBondContact NH2-OE1 3.5Å; I406-E411 HydrophobicContact CG1-CG 4.45Å; I406-E411 HydrophobicContact CG2-CG 4.24Å
412C92.8Very high91.7Very high0 Ų057.2 Ų57.20%029%0.287CS..EExtended strand (participates in β ladder)trans-147.7164.3177.472.60000113.2I358 F359 C405 Y410I358-C412 WeakPolarHBondContact O-CA 3.49Å; I358-C412 WeakPolarHBondContact O-CB 3.27Å; F359-C412 HydrophobicContact CD1-CB 3.94Å; F359-C412 HydrophobicContact CE1-CB 3.6Å; F359-C412 HydrophobicContact CE2-CB 4.31Å; F359-C412 HydrophobicContact CG-CB 4.44Å; F359-C412 HydrophobicContact CZ-CB 3.82Å; C405-C412 PolarHBondContact N-O 3.21Å; C405-C412 PolarHBondContact O-N 3.07Å; Y410-C412 HydrophobicContact CD2-CB 4.21Å; Y410-C412 HydrophobicContact CE2-CB 4.4Å
413L94.2Very high91.3Very high3 Ų360.1 Ų60.12%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-100133.4166.3-72.8179.5000111.2K357 I358 M371 I375 L378 A402 F403K357-L413 CarbonylContact C-O 3.54Å; K357-L413 WeakPolarHBondContact CA-O 3.42Å; I358-L413 HydrophobicContact CB-CB 4.21Å; I358-L413 PolarHBondContact N-O 3.31Å; I358-L413 PolarHBondContact O-N 3.3Å; M371-L413 HydrophobicContact CE-CD1 3.26Å; M371-L413 HydrophobicContact CE-CD2 4.45Å; M371-L413 HydrophobicContact CE-CG 3.57Å; M371-L413 HydrophobicContact SD-CD1 4.4Å; I375-L413 HydrophobicContact CD1-CG 4.43Å; I375-L413 HydrophobicContact CG1-CD2 3.88Å; I375-L413 HydrophobicContact CG1-CG 3.94Å; L378-L413 HydrophobicContact CD1-CD2 4.03Å; A402-L413 HydrophobicContact CB-CB 4.48Å; A402-L413 HydrophobicContact CB-CD1 4.27Å; F403-L413 CarbonylContact O-C 3.49Å; F403-L413 WeakPolarHBondContact O-CA 3.47Å
414L94.6Very high90.7Very high43 Ų4362.8 Ų62.823%0.22532%0.318CS..EExtended strand (participates in β ladder)trans-97.6110.3174.1-65.9172.9000110.1V355 K357 A402 F403 C405V355-L414 HydrophobicContact CG1-CD2 4.36Å; K357-L414 HydrophobicContact CD-CD2 4.32Å; K357-L414 HydrophobicContact CG-CD2 3.38Å; A402-L414 CarbonylContact C-O 3.54Å; A402-L414 VanDerWaalsContact CA-O 3.28Å; A402-L414 WeakPolarHBondContact CA-O 3.49Å; F403-L414 HydrophobicContact CB-CB 4.33Å; F403-L414 PolarHBondContact N-O 3.04Å; F403-L414 PolarHBondContact O-N 3.46Å; C405-L414 HydrophobicContact CB-CD1 3.79Å; C405-L414 HydrophobicContact CB-CG 3.94Å
415Y95.4Very high89.3Confident4 Ų470.1 Ų70.12%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-87127.1173.2171.4-100.3000111.2F334 V356 V387 Y389 G400 A401F334-Y415 AromaticContact CE2-CD2 3.86Å; F334-Y415 HydrophobicContact CE2-CD2 3.86Å; F334-Y415 HydrophobicContact CE2-CE2 4.42Å; F334-Y415 HydrophobicContact CE2-CG 4.18Å; F334-Y415 HydrophobicContact CZ-CD2 4.28Å; V356-Y415 HydrophobicContact CB-CD1 4.27Å; V356-Y415 HydrophobicContact CG2-CD1 4.31Å; V356-Y415 PolarHBondContact N-O 3.2Å; V356-Y415 PolarHBondContact O-N 3.35Å; V387-Y415 HydrophobicContact CG2-CD2 3.46Å; V387-Y415 VanDerWaalsContact CG2-CD2 3.46Å; V387-Y415 HydrophobicContact CG2-CE2 3.55Å; Y389-Y415 VanDerWaalsContact CB-CZ 3.46Å; Y389-Y415 WeakPolarHBondContact CB-OH 3.35Å; Y389-Y415 AromaticContact CD1-CE1 3.65Å; Y389-Y415 HydrophobicContact CD1-CE1 3.65Å; Y389-Y415 AromaticContact CD1-CZ 3.77Å; Y389-Y415 HydrophobicContact CD2-CE1 4.32Å; Y389-Y415 HydrophobicContact CE1-CE1 4.09Å; Y389-Y415 HydrophobicContact CG-CD1 4.41Å; Y389-Y415 AromaticContact CG-CE1 3.77Å; Y389-Y415 HydrophobicContact CG-CE1 3.77Å; Y389-Y415 HydrophobicContact CG-CE2 4.27Å; Y389-Y415 AromaticContact CG-CZ 3.7Å; G400-Y415 VanDerWaalsContact CA-CE2 3.49Å; A401-Y415 WeakPolarHBondContact O-CA 3.34Å
416V95.3Very high87.9Confident15 Ų1571.8 Ų71.89%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-128133.1173.3-176.10000109F350 V355 G400 A401 F403F350-V416 HydrophobicContact CB-CG1 3.75Å; F350-V416 HydrophobicContact CD1-CG1 3.88Å; F350-V416 HydrophobicContact CD2-CG1 3.92Å; F350-V416 HydrophobicContact CE1-CG1 4.43Å; F350-V416 HydrophobicContact CE2-CG1 4.47Å; F350-V416 HydrophobicContact CG-CG1 3.59Å; V355-V416 HydrophobicContact CG1-CG2 4.32Å; V355-V416 HydrophobicContact CG2-CG2 4.49Å; G400-V416 CarbonylContact C-O 3.56Å; G400-V416 WeakPolarHBondContact CA-O 3.36Å; A401-V416 PolarHBondContact N-O 3.43Å; A401-V416 PolarHBondContact O-N 3.34Å; F403-V416 HydrophobicContact CD2-CG2 4.32Å; F403-V416 HydrophobicContact CE2-CB 4.27Å; F403-V416 HydrophobicContact CE2-CG2 4.19Å
417Q94.9Very high86.6Confident32 Ų3276.5 Ų76.515%0.1538%0.378CS..EExtended strand (participates in β ladder)trans-69.5139.5179.1179.7-176.9-3.900110.7M351 Q398M351-Q417 HydrophobicContact CB-CG 4.33Å; M351-Q417 PolarHBondContact N-O 3.34Å; M351-Q417 WeakPolarHBondContact O-CB 3.24Å; Q398-Q417 HydrophobicContact CB-CG 4.42Å; Q398-Q417 VanDerWaalsContact NE2-OE1 3.11Å
418L93.9Very high85.8Confident20 Ų2078.5 Ų78.511%0.10539%0.39CS..  trans-105.4155.4175.3-71.2-179000110.5V345 F350 I386 V399 A401V345-L418 HydrophobicContact CG1-CD1 4.45Å; V345-L418 HydrophobicContact CG1-CD2 3.75Å; F350-L418 HydrophobicContact CD1-CD2 4.21Å; I386-L418 HydrophobicContact CD1-CD1 3.82Å; V399-L418 PolarHBondContact O-N 3.07Å; A401-L418 HydrophobicContact CB-CD1 3.94Å; A401-L418 HydrophobicContact CB-CD2 4.4Å; A401-L418 HydrophobicContact CB-CG 4.18Å
419P92.8Very high85.7Confident26 Ų2678.7 Ų78.717%0.16938%0.376CS..  trans-74.9147.6-178.228.7-26.8000110.3Q349 M351 D423 L424Q349-P419 HydrophobicContact CB-CG 4.22Å; Q349-P419 WeakPolarHBondContact O-CD 3.37Å; M351-P419 HydrophobicContact CG-CB 3.93Å; M351-P419 HydrophobicContact SD-CB 3.51Å; M351-P419 VanDerWaalsContact SD-CB 3.51Å; P419-D423 HydrophobicContact CB-CB 3.96Å; P419-L424 HydrophobicContact CB-CD2 4.05Å; P419-L424 HydrophobicContact CB-CG 4.06Å; P419-L424 HydrophobicContact CG-CD1 4.27Å; P419-L424 HydrophobicContact CG-CD2 3.84Å; P419-L424 HydrophobicContact CG-CG 4.07Å
420F91.5Very high85.7Confident87 Ų8777.7 Ų77.738%0.38238%0.381SS..  trans-79.9166.9163.9-70.6-75.3000110.5V399 E422 D423 L424V399-F420 HydrophobicContact CB-CE1 4.37Å; V399-F420 HydrophobicContact CG2-CE1 3.82Å; V399-F420 HydrophobicContact CG2-CZ 4.13Å; F420-E422 PolarHBondContact O-N 3.38Å; F420-D423 PolarHBondContact N-OD2 3.15Å; F420-D423 WeakPolarHBondContact O-CB 3.37Å; F420-D423 PolarHBondContact O-N 3.33Å; F420-D423 VanDerWaalsContact O-N 3.09Å; F420-L424 PolarHBondContact O-N 3.24Å
421M89.8Confident85.7Confident157 Ų15783.2 Ų83.277%0.77341%0.406SS*.Hα-helixtrans-57.8-35.3177.5-173.1172.368.300112L424 Y425M421-L424 PolarHBondContact O-N 3.33Å; M421-Y425 WeakPolarHBondContact O-CB 3.33Å; M421-Y425 PolarHBondContact O-N 2.99Å
422E87.7Confident85.5Confident167 Ų16786.6 Ų86.678%0.7843%0.432SS*.Hα-helixtrans-63.9-38177.2-64.6166.1-169.300112.3F420 L424F420-E422 PolarHBondContact O-N 3.38Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 3.43Å
423D87.4Confident85.2Confident61 Ų6189.4 Ų89.433%0.32645%0.451SS..Hα-helixtrans-68-31.9178.1-61.9-52.6000112.1M351 P419 F420M351-D423 HydrophobicContact CE-CB 4.41Å; M351-D423 HydrophobicContact SD-CB 3.84Å; P419-D423 HydrophobicContact CB-CB 3.96Å; F420-D423 PolarHBondContact N-OD2 3.15Å; F420-D423 WeakPolarHBondContact O-CB 3.37Å; F420-D423 PolarHBondContact O-N 3.33Å; F420-D423 VanDerWaalsContact O-N 3.09Å
424L82.6Confident85Confident80 Ų8095.5 Ų95.542%0.41948%0.484SS..Hα-helixtrans-81.5-42.3178.9-65.3176.9000112.2P419 F420 M421 E422 G426 R427P419-L424 HydrophobicContact CB-CD2 4.05Å; P419-L424 HydrophobicContact CB-CG 4.06Å; P419-L424 HydrophobicContact CG-CD1 4.27Å; P419-L424 HydrophobicContact CG-CD2 3.84Å; P419-L424 HydrophobicContact CG-CG 4.07Å; F420-L424 PolarHBondContact O-N 3.24Å; M421-L424 PolarHBondContact O-N 3.33Å; E422-L424 VanDerWaalsContact C-N 3.3Å; E422-L424 PolarHBondContact O-N 3.43Å; L424-G426 VanDerWaalsContact C-N 3.31Å; L424-G426 PolarHBondContact O-N 3.42Å; L424-R427 PolarHBondContact O-N 3.21Å; L424-R427 VanDerWaalsContact O-N 3.08Å
425Y65.7Low84.4Confident173 Ų173102.1 Ų102.168%0.67851%0.513SS*.Hα-helixtrans-63.2-37.2-172.2-162.8-96.5000112.3M421 R427M421-Y425 WeakPolarHBondContact O-CB 3.33Å; M421-Y425 PolarHBondContact O-N 2.99Å; Y425-R427 PolarHBondContact O-N 3.3Å; Y425-R427 VanDerWaalsContact O-N 3.13Å
426G61.6Low83.7Confident61 Ų61108.5 Ų108.563%0.62955%0.547SS*.THydrogen-bonded Turntrans-68.9-5.617700000115.3L424L424-G426 VanDerWaalsContact C-N 3.31Å; L424-G426 PolarHBondContact O-N 3.42Å
427R64.6Low83.1Confident175 Ų175110.2 Ų110.266%0.6656%0.556SS**THydrogen-bonded Turntrans-126.916.1-173.1-60.1-177-176.9-171.51.8114.1L424 Y425 F429L424-R427 PolarHBondContact O-N 3.21Å; L424-R427 VanDerWaalsContact O-N 3.08Å; Y425-R427 PolarHBondContact O-N 3.3Å; Y425-R427 VanDerWaalsContact O-N 3.13Å; R427-F429 HydrophobicContact CB-CE2 4.46Å; R427-F429 WeakPolarHBondContact O-CD2 3.46Å; R427-F429 PolarHBondContact O-N 3.42Å
428Q71.4Confident82.3Confident146 Ų146118.1 Ų118.168%0.68259%0.59SS**  trans-72.473.9174.7-68.7-173.1-2.700110.8
429F80.7Confident81.7Confident145 Ų145126.4 Ų126.464%0.63663%0.625SS**  trans-85.2120169.7-64.2-74.2000108.7R427 F431R427-F429 HydrophobicContact CB-CE2 4.46Å; R427-F429 WeakPolarHBondContact O-CD2 3.46Å; R427-F429 PolarHBondContact O-N 3.42Å; F429-F431 HydrophobicContact CB-CD2 4.28Å; F429-F431 HydrophobicContact CB-CE2 3.55Å; F429-F431 HydrophobicContact CB-CZ 3.74Å; F429-F431 HydrophobicContact CG-CZ 4.47Å
430T85.4Confident81.2Confident139 Ų139130.4 Ų130.485%0.85364%0.644SS**  trans-86.9113.6171.548.20000108.7
431F86.8Confident80.8Confident174 Ų174129.4 Ų129.476%0.76365%0.652SS**PPolyproline II helixtrans-96.9140.3174.1-64.1-79.3000110F429 S433F429-F431 HydrophobicContact CB-CD2 4.28Å; F429-F431 HydrophobicContact CB-CE2 3.55Å; F429-F431 HydrophobicContact CB-CZ 3.74Å; F429-F431 HydrophobicContact CG-CZ 4.47Å; F431-S433 PolarHBondContact O-N 3.05Å
432P87.1Confident80.6Confident110 Ų110125.1 Ų125.171%0.71464%0.636SS**PPolyproline II helixtrans-58.6137.7169.1-22.233.2000110.9L434P432-L434 PolarHBondContact O-N 3.46Å
433S86.6Confident80.6Confident59 Ų59119.5 Ų119.541%0.41362%0.615SS.*PPolyproline II helixtrans-63128.2174.3171.80000110.3F431 E435F431-S433 PolarHBondContact O-N 3.05Å; S433-E435 PolarHBondContact OG-N 3.15Å
434L88.1Confident80.7Confident132 Ų132124.7 Ų124.769%0.69164%0.638SS**SBendtrans-74.9-33.7176.5-62.7177.3000111.7P432 N436 N437P432-L434 PolarHBondContact O-N 3.46Å; L434-N436 VanDerWaalsContact C-N 3.35Å; L434-N436 PolarHBondContact O-N 3.44Å; L434-N437 PolarHBondContact O-N 2.84Å
435E82.8Confident81Confident182 Ų182125 Ų12585%0.8564%0.643SS**THydrogen-bonded Turntrans-63.8-37.3-177-63.1177.3176.600112.9S433 N437S433-E435 PolarHBondContact OG-N 3.15Å; E435-N437 VanDerWaalsContact C-N 3.32Å; E435-N437 PolarHBondContact O-N 3.25Å
436N80.8Confident82.1Confident137 Ų137118.8 Ų118.873%0.73362%0.62SS**THydrogen-bonded Turntrans-87.4-1-176.7-68.5-36.2000113.6L434 K438L434-N436 VanDerWaalsContact C-N 3.35Å; L434-N436 PolarHBondContact O-N 3.44Å; N436-K438 PolarHBondContact O-N 3.33Å
437N82.4Confident83.5Confident52 Ų52119.8 Ų119.828%0.27861%0.61SS.*  trans-90.196.4-173.9-167.1-11.4000111.9L434 E435 K439 I440 A441L434-N437 PolarHBondContact O-N 2.84Å; E435-N437 VanDerWaalsContact C-N 3.32Å; E435-N437 PolarHBondContact O-N 3.25Å; N437-K439 PolarHBondContact O-N 3.48Å; N437-K439 WeakPolarHBondContact OD1-CB 2.88Å; N437-K439 PolarHBondContact OD1-N 2.87Å; N437-K439 VanDerWaalsContact OD1-N 3.14Å; N437-I440 VanDerWaalsContact ND2-CD1 3.35Å; N437-I440 WeakPolarHBondContact ND2-CD1 3.45Å; N437-I440 PolarHBondContact O-N 3.03Å; N437-A441 PolarHBondContact O-N 3.34Å
438K78.8Confident84.7Confident197 Ų197114.7 Ų114.786%0.85760%0.602SS**THydrogen-bonded Turntrans-55-18.9177.5-63.1-175.5-179.9-177.80114.7N436N436-K438 PolarHBondContact O-N 3.33Å
439K81.4Confident85.6Confident194 Ų194107.8 Ų107.884%0.84357%0.57SS**THydrogen-bonded Turntrans-79.3-21.3178.9-61.2-178.9178.5-179.70113.5N437N437-K439 PolarHBondContact O-N 3.48Å; N437-K439 WeakPolarHBondContact OD1-CB 2.88Å; N437-K439 PolarHBondContact OD1-N 2.87Å; N437-K439 VanDerWaalsContact OD1-N 3.14Å
440I81Confident86.2Confident110 Ų110103.9 Ų103.956%0.56456%0.555SS**THydrogen-bonded Turntrans-120.55.1-172.7-45.7176.9000110.4N437 P442N437-I440 VanDerWaalsContact ND2-CD1 3.35Å; N437-I440 WeakPolarHBondContact ND2-CD1 3.45Å; N437-I440 PolarHBondContact O-N 3.03Å; I440-P442 WeakPolarHBondContact O-CD 3.26Å
441A83.9Confident86.5Confident67 Ų67101.3 Ų101.355%0.55454%0.536SS*.PPolyproline II helixtrans-62.8121178.300000110.1N437N437-A441 PolarHBondContact O-N 3.34Å
442P86.1Confident86.7Confident66 Ų6695.3 Ų95.343%0.42952%0.516SS..PPolyproline II helixtrans-70.4151.2-179.129-34.3000111.2I440 Q446 L447I440-P442 WeakPolarHBondContact O-CD 3.26Å; P442-Q446 HydrophobicContact CB-CB 4.28Å; P442-L447 HydrophobicContact CB-CD2 4.17Å; P442-L447 HydrophobicContact CB-CG 4.23Å; P442-L447 HydrophobicContact CG-CD1 4.43Å; P442-L447 HydrophobicContact CG-CD2 3.69Å; P442-L447 HydrophobicContact CG-CG 4.04Å
443S87.9Confident86.9Confident49 Ų4991.5 Ų91.534%0.34349%0.489SS..PPolyproline II helixtrans-74.8159.2170.166.30000111.5T445 Q446 L447S443-T445 PolarHBondContact O-N 3.12Å; S443-T445 PolarHBondContact OG-OG1 2.98Å; S443-Q446 WeakPolarHBondContact O-CB 3.43Å; S443-Q446 PolarHBondContact O-N 3.09Å; S443-Q446 WeakPolarHBondContact OG-CB 3.28Å; S443-Q446 VanDerWaalsContact OG-CG 3.24Å; S443-Q446 WeakPolarHBondContact OG-CG 3.33Å; S443-Q446 PolarHBondContact OG-N 3.29Å; S443-Q446 PolarHBondContact OG-OE1 2.95Å; S443-L447 PolarHBondContact O-N 3.23Å
444E88.9Confident87.1Confident171 Ų17192.8 Ų92.880%0.79949%0.49SS*.Hα-helixtrans-59.5-35.7175.8-171.8173.1-171.300112.4Q446 L447 S448E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 3Å; E444-L447 PolarHBondContact O-N 3.18Å; E444-S448 WeakPolarHBondContact O-CB 3.35Å; E444-S448 PolarHBondContact O-N 3.03Å
445T89.1Confident87.2Confident87 Ų8792.2 Ų92.253%0.53449%0.488SS..Hα-helixtrans-65.7-35.2173.553.30000112.9S443 A449S443-T445 PolarHBondContact O-N 3.12Å; S443-T445 PolarHBondContact OG-OG1 2.98Å; T445-A449 WeakPolarHBondContact O-CB 3.27Å; T445-A449 PolarHBondContact O-N 3.21Å; T445-A449 VanDerWaalsContact O-N 3.13Å
446Q88.2Confident87.4Confident41 Ų4185 Ų8519%0.19246%0.457CS..Hα-helixtrans-71.5-38.1175.9-80.3172.3-15.500111.5P442 S443 E444 I450 L526 F527P442-Q446 HydrophobicContact CB-CB 4.28Å; S443-Q446 WeakPolarHBondContact O-CB 3.43Å; S443-Q446 PolarHBondContact O-N 3.09Å; S443-Q446 WeakPolarHBondContact OG-CB 3.28Å; S443-Q446 VanDerWaalsContact OG-CG 3.24Å; S443-Q446 WeakPolarHBondContact OG-CG 3.33Å; S443-Q446 PolarHBondContact OG-N 3.29Å; S443-Q446 PolarHBondContact OG-OE1 2.95Å; E444-Q446 VanDerWaalsContact C-N 3.34Å; E444-Q446 PolarHBondContact O-N 3Å; Q446-I450 VanDerWaalsContact O-CG1 3.32Å; Q446-I450 WeakPolarHBondContact O-CG1 3.49Å; Q446-I450 PolarHBondContact O-N 3.49Å; Q446-I450 VanDerWaalsContact O-N 3.13Å; Q446-L526 HydrophobicContact CG-CB 4.38Å; Q446-L526 PolarHBondContact NE2-O 2.84Å; Q446-F527 HydrophobicContact CB-CE1 4.17Å; Q446-F527 HydrophobicContact CB-CE2 4.13Å; Q446-F527 HydrophobicContact CB-CZ 3.55Å; Q446-F527 HydrophobicContact CG-CE1 3.88Å; Q446-F527 HydrophobicContact CG-CE2 3.98Å; Q446-F527 HydrophobicContact CG-CZ 3.58Å
447L90.7Very high87.6Confident82 Ų8282.7 Ų82.743%0.42944%0.443SS..Hα-helixtrans-63.9-50.2174.4-69.3173.2000111P442 S443 E444 A449 I450 D451P442-L447 HydrophobicContact CB-CD2 4.17Å; P442-L447 HydrophobicContact CB-CG 4.23Å; P442-L447 HydrophobicContact CG-CD1 4.43Å; P442-L447 HydrophobicContact CG-CD2 3.69Å; P442-L447 HydrophobicContact CG-CG 4.04Å; S443-L447 PolarHBondContact O-N 3.23Å; E444-L447 PolarHBondContact O-N 3.18Å; L447-A449 VanDerWaalsContact C-N 3.31Å; L447-A449 PolarHBondContact O-N 3.19Å; L447-I450 CarbonylContact O-C 3.58Å; L447-I450 WeakPolarHBondContact O-CA 3.38Å; L447-I450 WeakPolarHBondContact O-CB 3.3Å; L447-I450 PolarHBondContact O-N 3.28Å; L447-D451 VanDerWaalsContact O-CG 3.27Å; L447-D451 PolarHBondContact O-N 2.99Å
448S91.4Very high87.6Confident68 Ų6884.7 Ų84.748%0.47645%0.452SS..Hα-helixtrans-58.8-39178.2-179.30000113.3E444 D451 S452E444-S448 WeakPolarHBondContact O-CB 3.35Å; E444-S448 PolarHBondContact O-N 3.03Å; S448-D451 PolarHBondContact O-N 2.93Å; S448-S452 WeakPolarHBondContact O-CB 3.38Å; S448-S452 PolarHBondContact O-N 2.9Å; S448-S452 PolarHBondContact O-OG 3.02Å
449A90.3Very high87.6Confident2 Ų279 Ų792%0.01743%0.43CS..Hα-helixtrans-66.5-36.4175.300000112.5T445 L447 L453 I523 L526T445-A449 WeakPolarHBondContact O-CB 3.27Å; T445-A449 PolarHBondContact O-N 3.21Å; T445-A449 VanDerWaalsContact O-N 3.13Å; L447-A449 VanDerWaalsContact C-N 3.31Å; L447-A449 PolarHBondContact O-N 3.19Å; A449-L453 PolarHBondContact O-N 2.96Å; A449-L453 VanDerWaalsContact O-N 3.09Å; A449-I523 HydrophobicContact CB-CG1 4.06Å; A449-L526 HydrophobicContact CB-CD1 3.5Å
450I92.4Very high87.4Confident62 Ų6273.8 Ų73.832%0.31842%0.415SS..Hα-helixtrans-69.7-42.9174-70.2168.5000110.6Q446 L447 S452 L453 I454 F527Q446-I450 VanDerWaalsContact O-CG1 3.32Å; Q446-I450 WeakPolarHBondContact O-CG1 3.49Å; Q446-I450 PolarHBondContact O-N 3.49Å; Q446-I450 VanDerWaalsContact O-N 3.13Å; L447-I450 CarbonylContact O-C 3.58Å; L447-I450 WeakPolarHBondContact O-CA 3.38Å; L447-I450 WeakPolarHBondContact O-CB 3.3Å; L447-I450 PolarHBondContact O-N 3.28Å; I450-S452 VanDerWaalsContact C-N 3.31Å; I450-S452 PolarHBondContact O-N 3.05Å; I450-L453 CarbonylContact O-C 3.6Å; I450-L453 WeakPolarHBondContact O-CA 3.26Å; I450-L453 WeakPolarHBondContact O-CB 3.45Å; I450-L453 PolarHBondContact O-N 2.96Å; I450-L453 VanDerWaalsContact O-N 3.08Å; I450-I454 HydrophobicContact CG2-CD1 3.82Å; I450-I454 HydrophobicContact CG2-CG1 4.24Å; I450-I454 WeakPolarHBondContact O-CG1 3.48Å; I450-I454 PolarHBondContact O-N 3.11Å; I450-F527 HydrophobicContact CD1-CE2 4.23Å; I450-F527 HydrophobicContact CD1-CZ 3.79Å; I450-F527 HydrophobicContact CG1-CE2 4.29Å; I450-F527 HydrophobicContact CG1-CZ 4.34Å
451D92.3Very high86.8Confident86 Ų8671.1 Ų71.146%0.4640%0.404SS..Hα-helixtrans-59-45.7177-64.8-26.3000110.3L447 S448 L453 I454 D455L447-D451 VanDerWaalsContact O-CG 3.27Å; L447-D451 PolarHBondContact O-N 2.99Å; S448-D451 PolarHBondContact O-N 2.93Å; D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.37Å; D451-I454 WeakPolarHBondContact O-CB 3.45Å; D451-I454 PolarHBondContact O-N 2.92Å; D451-I454 VanDerWaalsContact O-N 3.12Å; D451-D455 PolarHBondContact O-N 3.3Å
452S90.9Very high85.6Confident48 Ų4877.6 Ų77.634%0.33642%0.423SS..Hα-helixtrans-60.7-35.5175-58.30000112.8S448 I450 S456S448-S452 WeakPolarHBondContact O-CB 3.38Å; S448-S452 PolarHBondContact O-N 2.9Å; S448-S452 PolarHBondContact O-OG 3.02Å; I450-S452 VanDerWaalsContact C-N 3.31Å; I450-S452 PolarHBondContact O-N 3.05Å; S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.47Å; S452-S456 VanDerWaalsContact O-N 3.13Å; S452-S456 PolarHBondContact O-OG 3.39Å
453L91.4Very high84.2Confident30 Ų3081.7 Ų81.716%0.15744%0.441CS..Hα-helixtrans-70.7-42.6174.1-179.871.4000111.5A449 I450 D451 D455 S456 M457 P519 L520 I523A449-L453 PolarHBondContact O-N 2.96Å; A449-L453 VanDerWaalsContact O-N 3.09Å; I450-L453 CarbonylContact O-C 3.6Å; I450-L453 WeakPolarHBondContact O-CA 3.26Å; I450-L453 WeakPolarHBondContact O-CB 3.45Å; I450-L453 PolarHBondContact O-N 2.96Å; I450-L453 VanDerWaalsContact O-N 3.08Å; D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.37Å; L453-D455 VanDerWaalsContact C-N 3.34Å; L453-S456 PolarHBondContact O-N 3.07Å; L453-M457 HydrophobicContact CD1-CG 3.89Å; L453-M457 HydrophobicContact CD1-SD 3.72Å; L453-M457 HydrophobicContact CD2-SD 4.1Å; L453-M457 HydrophobicContact CG-CG 4.16Å; L453-M457 HydrophobicContact CG-SD 3.82Å; L453-M457 VanDerWaalsContact O-CB 3.29Å; L453-M457 WeakPolarHBondContact O-CB 3.35Å; L453-M457 WeakPolarHBondContact O-CG 3.41Å; L453-M457 PolarHBondContact O-N 3.15Å; L453-P519 HydrophobicContact CB-CB 4.25Å; L453-P519 HydrophobicContact CD1-CB 4.09Å; L453-L520 HydrophobicContact CD1-CD2 3.97Å; L453-L520 HydrophobicContact CD1-CG 3.95Å; L453-L520 HydrophobicContact CD2-CD2 4.42Å; L453-I523 HydrophobicContact CB-CD1 3.58Å; L453-I523 HydrophobicContact CD1-CD1 4.4Å; L453-I523 HydrophobicContact CD2-CD1 3.42Å; L453-I523 VanDerWaalsContact CD2-CD1 3.42Å; L453-I523 HydrophobicContact CG-CD1 3.96Å
454I91.2Very high82.9Confident86 Ų8685.4 Ų85.444%0.44145%0.453SS..Hα-helixtrans-57.3-51.7177.2-69.8167000108.8I450 D451 S456 M457 M458I450-I454 HydrophobicContact CG2-CD1 3.82Å; I450-I454 HydrophobicContact CG2-CG1 4.24Å; I450-I454 WeakPolarHBondContact O-CG1 3.48Å; I450-I454 PolarHBondContact O-N 3.11Å; D451-I454 WeakPolarHBondContact O-CB 3.45Å; D451-I454 PolarHBondContact O-N 2.92Å; D451-I454 VanDerWaalsContact O-N 3.12Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 2.96Å; I454-M457 CarbonylContact O-C 3.58Å; I454-M457 PolarHBondContact O-N 3.25Å; I454-M457 VanDerWaalsContact O-N 3.1Å; I454-M458 HydrophobicContact CG2-SD 4.4Å; I454-M458 WeakPolarHBondContact O-CG 3.3Å; I454-M458 PolarHBondContact O-N 3.47Å; I454-M458 VanDerWaalsContact O-N 3.08Å
455D88.3Confident82Confident120 Ų12081 Ų8164%0.64244%0.435SS*.Hα-helixtrans-58.5-39.4178.8-67.7-18.5000112D451 L453D451-D455 PolarHBondContact O-N 3.3Å; L453-D455 VanDerWaalsContact C-N 3.34Å
456S87.4Confident81.1Confident29 Ų2980.5 Ų80.520%0.20343%0.428CS..Hα-helixtrans-73.6-28.4178.5-58.50000113.6S452 L453 I454 C516S452-S456 WeakPolarHBondContact O-CB 3.4Å; S452-S456 PolarHBondContact O-N 3.47Å; S452-S456 VanDerWaalsContact O-N 3.13Å; S452-S456 PolarHBondContact O-OG 3.39Å; L453-S456 PolarHBondContact O-N 3.07Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 2.96Å; S456-C516 PolarHBondContact O-SG 2.97Å
457M85.1Confident80.4Confident90 Ų9081.2 Ų81.244%0.44343%0.433SS..THydrogen-bonded Turntrans-95.54.3-178.9-73-167.976.900113.7L453 I454 L459 C516L453-M457 HydrophobicContact CD1-CG 3.89Å; L453-M457 HydrophobicContact CD1-SD 3.72Å; L453-M457 HydrophobicContact CD2-SD 4.1Å; L453-M457 HydrophobicContact CG-CG 4.16Å; L453-M457 HydrophobicContact CG-SD 3.82Å; L453-M457 VanDerWaalsContact O-CB 3.29Å; L453-M457 WeakPolarHBondContact O-CB 3.35Å; L453-M457 WeakPolarHBondContact O-CG 3.41Å; L453-M457 PolarHBondContact O-N 3.15Å; I454-M457 CarbonylContact O-C 3.58Å; I454-M457 PolarHBondContact O-N 3.25Å; I454-M457 VanDerWaalsContact O-N 3.1Å; M457-L459 PolarHBondContact O-N 2.71Å; M457-L459 VanDerWaalsContact O-N 3.14Å; M457-C516 HydrophobicContact CG-CB 4.45Å; M457-C516 WeakPolarHBondContact CG-SG 3.23Å
458M83.6Confident79.6Confident94 Ų9481.3 Ų81.346%0.46343%0.43SS..  trans-60.1117.9177.1-75.5-60.9-75.400110.7I454I454-M458 HydrophobicContact CG2-SD 4.4Å; I454-M458 WeakPolarHBondContact O-CG 3.3Å; I454-M458 PolarHBondContact O-N 3.47Å; I454-M458 VanDerWaalsContact O-N 3.08Å
459L79Confident78.9Confident76 Ų7682.1 Ų82.140%0.39843%0.434SS..  trans-83.5-17.5178.8-69165.7000113.1M457 L466 L467 I512M457-L459 PolarHBondContact O-N 2.71Å; M457-L459 VanDerWaalsContact O-N 3.14Å; L459-L466 WeakPolarHBondContact O-CB 3.49Å; L459-L466 PolarHBondContact O-N 3.33Å; L459-L467 HydrophobicContact CD2-CB 4.2Å; L459-I512 HydrophobicContact CD2-CD1 3.37Å; L459-I512 HydrophobicContact CG-CD1 4.41Å
460V75.7Confident78.2Confident86 Ų8690.8 Ų90.852%0.52147%0.474SS..BIsolated β-bridgetrans-100.3116.3-178.7-171.80000107.5D465V460-D465 WeakPolarHBondContact CG2-OD1 3.45Å
461T68.7Low77.3Confident54 Ų5491.9 Ų91.933%0.33148%0.477SS..  trans-97.5162.8166.258.70000109.5D463 E464 L466T461-D463 PolarHBondContact O-N 3.1Å; T461-D463 VanDerWaalsContact O-N 3.1Å; T461-E464 PolarHBondContact N-O 3.12Å; T461-E464 PolarHBondContact O-N 3.41Å; T461-E464 PolarHBondContact OG1-N 2.59Å; T461-E464 PolarHBondContact OG1-O 3.48Å; T461-L466 HydrophobicContact CG2-CD1 4.12Å; T461-L466 HydrophobicContact CG2-CG 4.38Å
462E58.7Low76.6Confident202 Ų20290.5 Ų90.594%0.94447%0.47SS*.SBendtrans-57.4-26.5-177.5-65.9-172160.700112.6
463D57.2Low76Confident152 Ų15289.5 Ų89.581%0.81346%0.462SS*.SBendtrans-98.8-39.3-177.3-57.2-49.8000113.1T461T461-D463 PolarHBondContact O-N 3.1Å; T461-D463 VanDerWaalsContact O-N 3.1Å
464E61.5Low75.6Confident127 Ų12791.3 Ų91.359%0.59347%0.472SS*.  trans-151.9152.9-177.7-65.2-161.9142.800115.9T461 L466T461-E464 PolarHBondContact N-O 3.12Å; T461-E464 PolarHBondContact O-N 3.41Å; T461-E464 PolarHBondContact OG1-N 2.59Å; T461-E464 PolarHBondContact OG1-O 3.48Å; E464-L466 PolarHBondContact O-N 3.06Å
465D68.3Low75.4Confident78 Ų7889.1 Ų89.142%0.41746%0.463SS..BIsolated β-bridgetrans-74.9112164.8-81.1-17.5000110.1V460 L467 K468V460-D465 WeakPolarHBondContact CG2-OD1 3.45Å; D465-L467 VanDerWaalsContact C-N 3.26Å; D465-L467 PolarHBondContact O-N 3.33Å; D465-K468 HydrophobicContact CB-CG 3.92Å; D465-K468 WeakPolarHBondContact O-CE 3.41Å
466L71.1Confident75.3Confident77 Ų7786.2 Ų86.240%0.40346%0.456SS..SBendtrans-65.3-27.5-178.6-69169.6000113.3L459 T461 E464 I512L459-L466 WeakPolarHBondContact O-CB 3.49Å; L459-L466 PolarHBondContact O-N 3.33Å; T461-L466 HydrophobicContact CG2-CD1 4.12Å; T461-L466 HydrophobicContact CG2-CG 4.38Å; E464-L466 PolarHBondContact O-N 3.06Å; L466-I512 HydrophobicContact CD1-CD1 4.03Å; L466-I512 HydrophobicContact CD1-CG1 4.3Å
467L72.6Confident75.2Confident57 Ų5786 Ų8630%0.29845%0.451SS..  trans-130.2121.9175-174.467.3000108.7L459 D465 P469L459-L467 HydrophobicContact CD2-CB 4.2Å; D465-L467 VanDerWaalsContact C-N 3.26Å; D465-L467 PolarHBondContact O-N 3.33Å; L467-P469 HydrophobicContact CG-CG 4.36Å; L467-P469 WeakPolarHBondContact O-CD 3.43Å
468K74.3Confident75Confident84 Ų8482.6 Ų82.637%0.36543%0.434SS..  trans-112.183.6177.5-65.6174.8-175.5167.70109.8D465 H470 H471D465-K468 HydrophobicContact CB-CG 3.92Å; D465-K468 WeakPolarHBondContact O-CE 3.41Å; K468-H470 PolarHBondContact O-N 2.76Å; K468-H471 PolarHBondContact O-N 3.43Å
469P77.1Confident75.2Confident85 Ų8581.6 Ų81.655%0.55243%0.425SS*.G310 helixtrans-58.1-25-178.4-2533.3000113.8L467 H471 L472L467-P469 HydrophobicContact CG-CG 4.36Å; L467-P469 WeakPolarHBondContact O-CD 3.43Å; P469-H471 PolarHBondContact O-N 3.27Å; P469-L472 PolarHBondContact O-N 3.49Å
470H75.7Confident75.6Confident184 Ų18480.1 Ų80.185%0.85242%0.416SS*.G310 helixtrans-66.1-23177.8-62-53.4000113.8K468K468-H470 PolarHBondContact O-N 2.76Å
471H73.3Confident76.1Confident84 Ų8477.1 Ų77.139%0.38940%0.396SS..G310 helixtrans-92.3-14.1176.8-61.6161.5000112.6K468 P469 P473K468-H471 PolarHBondContact O-N 3.43Å; P469-H471 PolarHBondContact O-N 3.27Å; H471-P473 VanDerWaalsContact O-CD 3.29Å; H471-P473 WeakPolarHBondContact O-CD 3.35Å
472L77.4Confident76.9Confident58 Ų5875.5 Ų75.530%0.30439%0.385SS..SBendtrans-77.8121.9176-99.582.1000110.5P469 A505P469-L472 PolarHBondContact O-N 3.49Å; L472-A505 HydrophobicContact CD2-CB 4.01Å; L472-A505 WeakPolarHBondContact CD2-O 3.45Å
473P78.4Confident78.4Confident27 Ų2767 Ų6718%0.17535%0.348CS..PPolyproline II helixtrans-67.4162.9170-15.931.7000111.1L228 H471 P475L228-P473 HydrophobicContact CB-CG 3.86Å; L228-P473 HydrophobicContact CD1-CB 3.96Å; L228-P473 HydrophobicContact CD1-CG 3.66Å; L228-P473 HydrophobicContact CG-CG 3.79Å; H471-P473 VanDerWaalsContact O-CD 3.29Å; H471-P473 WeakPolarHBondContact O-CD 3.35Å; P473-P475 WeakPolarHBondContact O-CD 3.42Å; P473-P475 VanDerWaalsContact O-N 3.15Å
474N84.3Confident79.8Confident68 Ų6862 Ų6236%0.36432%0.32SS..PPolyproline II helixtrans-63.4117-179-176.6-11000111.5A476 F477N474-A476 PolarHBondContact O-N 3.49Å; N474-A476 WeakPolarHBondContact OD1-CB 3.38Å; N474-A476 PolarHBondContact OD1-N 3.18Å; N474-F477 HydrophobicContact CB-CD2 3.71Å; N474-F477 HydrophobicContact CB-CE2 3.95Å; N474-F477 HydrophobicContact CB-CG 4.34Å; N474-F477 PolarHBondContact O-N 2.85Å; N474-F477 VanDerWaalsContact O-N 3.14Å
475P85.9Confident81Confident40 Ų4057.4 Ų57.426%0.2630%0.299SS..Hα-helixtrans-63.2-28.6-176.627.7-38.9000112.6P473 F477 Q478 R479 L502 L506P473-P475 WeakPolarHBondContact O-CD 3.42Å; P473-P475 VanDerWaalsContact O-N 3.15Å; P475-F477 VanDerWaalsContact C-N 3.27Å; P475-F477 PolarHBondContact O-N 3.12Å; P475-Q478 PolarHBondContact O-N 3.28Å; P475-R479 WeakPolarHBondContact O-CB 3.29Å; P475-R479 PolarHBondContact O-N 3.06Å; P475-L502 HydrophobicContact CB-CD1 3.67Å; P475-L502 HydrophobicContact CB-CD2 4.42Å; P475-L502 HydrophobicContact CB-CG 4.38Å; P475-L506 HydrophobicContact CB-CD1 3.91Å; P475-L506 HydrophobicContact CB-CD2 4.11Å; P475-L506 HydrophobicContact CB-CG 4.41Å; P475-L506 HydrophobicContact CG-CD1 4.28Å; P475-L506 HydrophobicContact CG-CD2 3.92Å
476A86.4Confident81.9Confident58 Ų5855.7 Ų55.748%0.47929%0.288SS..Hα-helixtrans-63.4-34.7179.200000111.9N474 H480N474-A476 PolarHBondContact O-N 3.49Å; N474-A476 WeakPolarHBondContact OD1-CB 3.38Å; N474-A476 PolarHBondContact OD1-N 3.18Å; A476-H480 WeakPolarHBondContact O-CB 3.47Å; A476-H480 PolarHBondContact O-N 2.99Å
477F84.1Confident82.6Confident25 Ų2557.5 Ų57.511%0.1129%0.29CS..Hα-helixtrans-74.1-42.8177.4-61.7-28.4000111.8E264 L266 N474 P475 R479 H480 F481E264-F477 HydrophobicContact CB-CE2 3.83Å; E264-F477 HydrophobicContact CB-CZ 4.4Å; E264-F477 HydrophobicContact CG-CD2 4.38Å; E264-F477 HydrophobicContact CG-CE2 3.53Å; E264-F477 HydrophobicContact CG-CZ 4.2Å; E264-F477 WeakPolarHBondContact O-CZ 3.39Å; E264-F477 WeakPolarHBondContact OE2-CE2 3.44Å; L266-F477 HydrophobicContact CD1-CD1 4.29Å; L266-F477 HydrophobicContact CD1-CE1 4.3Å; L266-F477 HydrophobicContact CD2-CD1 3.55Å; L266-F477 HydrophobicContact CD2-CE1 3.8Å; L266-F477 HydrophobicContact CD2-CG 4.28Å; L266-F477 HydrophobicContact CG-CD1 3.76Å; L266-F477 HydrophobicContact CG-CE1 3.57Å; N474-F477 HydrophobicContact CB-CD2 3.71Å; N474-F477 HydrophobicContact CB-CE2 3.95Å; N474-F477 HydrophobicContact CB-CG 4.34Å; N474-F477 PolarHBondContact O-N 2.85Å; N474-F477 VanDerWaalsContact O-N 3.14Å; P475-F477 VanDerWaalsContact C-N 3.27Å; P475-F477 PolarHBondContact O-N 3.12Å; F477-R479 VanDerWaalsContact C-N 3.33Å; F477-R479 PolarHBondContact O-N 3.27Å; F477-H480 PolarHBondContact O-N 3.15Å; F477-F481 HydrophobicContact CB-CD2 4.47Å; F477-F481 HydrophobicContact CB-CE2 3.93Å; F477-F481 HydrophobicContact CB-CZ 4.27Å; F477-F481 WeakPolarHBondContact O-CB 3.31Å; F477-F481 WeakPolarHBondContact O-CD2 3.06Å; F477-F481 WeakPolarHBondContact O-CG 3.34Å; F477-F481 PolarHBondContact O-N 3.12Å
478Q81.8Confident83.2Confident19 Ų1957.2 Ų57.29%0.08930%0.296CS..Hα-helixtrans-60-45.9176.6-65.8169.3-13.300110.8L228 P475 H480 F481 Q482 W501 L502L228-Q478 HydrophobicContact CD1-CG 4.24Å; L228-Q478 VanDerWaalsContact CD1-NE2 3.33Å; P475-Q478 PolarHBondContact O-N 3.28Å; Q478-H480 PolarHBondContact O-N 3.18Å; Q478-F481 PolarHBondContact O-N 3Å; Q478-Q482 WeakPolarHBondContact O-CB 3.29Å; Q478-Q482 PolarHBondContact O-N 3.38Å; Q478-W501 VanDerWaalsContact CD-CH2 3.43Å; Q478-W501 HydrophobicContact CG-CH2 4.37Å; Q478-L502 HydrophobicContact CB-CD2 4.45Å
479R87.6Confident83.6Confident73 Ų7354.4 Ų54.428%0.27529%0.286SS..Hα-helixtrans-61.2-44.3174.4-178.457.7172165.10.5112.5P475 F477 Q482 C483 P496 P497 L502P475-R479 WeakPolarHBondContact O-CB 3.29Å; P475-R479 PolarHBondContact O-N 3.06Å; F477-R479 VanDerWaalsContact C-N 3.33Å; F477-R479 PolarHBondContact O-N 3.27Å; R479-Q482 WeakPolarHBondContact O-CB 3.4Å; R479-Q482 PolarHBondContact O-N 3.07Å; R479-C483 PolarHBondContact O-N 2.88Å; R479-C483 PolarHBondContact O-SG 3.39Å; R479-C483 VanDerWaalsContact O-SG 3.36Å; R479-P496 VanDerWaalsContact CZ-O 3.28Å; R479-P496 PolarHBondContact NH1-O 3.24Å; R479-P496 PolarHBondContact NH2-O 3.05Å; R479-P497 PolarHBondContact NH1-O 3.34Å; R479-L502 HydrophobicContact CB-CD2 4.3Å
480H87.8Confident84Confident45 Ų4554.2 Ų54.221%0.20828%0.277CS..Hα-helixtrans-60.9-46.8177.7178.571.3000111.6W270 A476 F477 Q478 C483 L484W270-H480 AromaticContact CE2-CE1 3.94Å; W270-H480 AromaticContact CZ2-CE1 3.44Å; W270-H480 VanDerWaalsContact CZ2-CE1 3.44Å; W270-H480 WeakPolarHBondContact CZ2-CE1 3.43Å; A476-H480 WeakPolarHBondContact O-CB 3.47Å; A476-H480 PolarHBondContact O-N 2.99Å; F477-H480 PolarHBondContact O-N 3.15Å; Q478-H480 PolarHBondContact O-N 3.18Å; H480-C483 PolarHBondContact O-N 2.85Å; H480-L484 WeakPolarHBondContact NE2-CD1 3.49Å; H480-L484 WeakPolarHBondContact O-CG 2.9Å; H480-L484 PolarHBondContact O-N 3.4Å
481F85.7Confident84.5Confident22 Ų2249.3 Ų49.310%0.09626%0.262CS..Hα-helixtrans-62.5-43.5176.9-61.5-32.6000111.4Q41 R42 F45 L266 F477 Q478 C483 L484 H485Q41-F481 HydrophobicContact CG-CB 3.96Å; Q41-F481 PolarHBondContact NE2-O 2.82Å; R42-F481 HydrophobicContact CG-CE2 4.15Å; F45-F481 HydrophobicContact CB-CD1 3.54Å; F45-F481 HydrophobicContact CB-CE1 3.43Å; F45-F481 VanDerWaalsContact CB-CE1 3.43Å; F45-F481 HydrophobicContact CB-CG 4.44Å; F45-F481 HydrophobicContact CB-CZ 4.25Å; F45-F481 HydrophobicContact CD2-CB 3.73Å; F45-F481 AromaticContact CD2-CD1 3.35Å; F45-F481 HydrophobicContact CD2-CD1 3.35Å; F45-F481 HydrophobicContact CD2-CE1 4.17Å; F45-F481 AromaticContact CD2-CG 3.71Å; F45-F481 HydrophobicContact CD2-CG 3.71Å; F45-F481 HydrophobicContact CE2-CB 3.98Å; F45-F481 HydrophobicContact CE2-CD1 4.24Å; F45-F481 HydrophobicContact CE2-CG 4.44Å; F45-F481 WeakPolarHBondContact CE2-O 3.49Å; F45-F481 AromaticContact CG-CD1 3.69Å; F45-F481 HydrophobicContact CG-CD1 3.69Å; F45-F481 HydrophobicContact CG-CE1 4.11Å; F45-F481 HydrophobicContact CG-CG 4.46Å; L266-F481 HydrophobicContact CD2-CE1 4.23Å; L266-F481 HydrophobicContact CD2-CZ 4.31Å; F477-F481 HydrophobicContact CB-CD2 4.47Å; F477-F481 HydrophobicContact CB-CE2 3.93Å; F477-F481 HydrophobicContact CB-CZ 4.27Å; F477-F481 WeakPolarHBondContact O-CB 3.31Å; F477-F481 WeakPolarHBondContact O-CD2 3.06Å; F477-F481 WeakPolarHBondContact O-CG 3.34Å; F477-F481 PolarHBondContact O-N 3.12Å; Q478-F481 PolarHBondContact O-N 3Å; F481-C483 VanDerWaalsContact C-N 3.33Å; F481-C483 PolarHBondContact O-N 3.14Å; F481-L484 PolarHBondContact O-N 2.86Å; F481-L484 VanDerWaalsContact O-N 3.15Å; F481-H485 WeakPolarHBondContact O-CB 3.49Å; F481-H485 PolarHBondContact O-N 2.97Å
482Q86Confident85.2Confident21 Ų2153.2 Ų53.210%0.09829%0.286CS..Hα-helixtrans-54.9-49.3176.5-173.3-157.3-1.800111Q41 Q478 R479 L484 H485 H486 P496 P497 E499Q41-Q482 VanDerWaalsContact NE2-N 3.17Å; Q478-Q482 WeakPolarHBondContact O-CB 3.29Å; Q478-Q482 PolarHBondContact O-N 3.38Å; R479-Q482 WeakPolarHBondContact O-CB 3.4Å; R479-Q482 PolarHBondContact O-N 3.07Å; Q482-L484 PolarHBondContact O-N 3.24Å; Q482-H485 PolarHBondContact O-N 3.33Å; Q482-H486 WeakPolarHBondContact O-CB 3.28Å; Q482-H486 PolarHBondContact O-N 3.2Å; Q482-P496 HydrophobicContact CG-CG 4.38Å; Q482-P497 PolarHBondContact NE2-O 3.05Å; Q482-E499 VanDerWaalsContact CD-CG 3.5Å; Q482-E499 HydrophobicContact CG-CG 4.21Å; Q482-E499 VanDerWaalsContact NE2-CG 3.34Å
483C89.1Confident85.8Confident24 Ų2452 Ų5216%0.16228%0.282CS..Hα-helixtrans-63-40.3177.8-67.20000112.4R479 H480 F481 R487 L495R479-C483 PolarHBondContact O-N 2.88Å; R479-C483 PolarHBondContact O-SG 3.39Å; R479-C483 VanDerWaalsContact O-SG 3.36Å; H480-C483 PolarHBondContact O-N 2.85Å; F481-C483 VanDerWaalsContact C-N 3.33Å; F481-C483 PolarHBondContact O-N 3.14Å; C483-R487 WeakPolarHBondContact O-CB 3.4Å; C483-R487 WeakPolarHBondContact O-CG 3.4Å; C483-R487 PolarHBondContact O-N 3.26Å; C483-L495 HydrophobicContact CB-CD2 4.13Å
484L87.7Confident86.4Confident45 Ų4555.7 Ų55.724%0.23631%0.306CS..Hα-helixtrans-66-44.5177.6-73177.9000112.2F45 W270 H480 F481 Q482 R487 A488F45-L484 HydrophobicContact CD1-CD1 3.86Å; F45-L484 HydrophobicContact CD2-CD1 4.49Å; F45-L484 HydrophobicContact CE1-CB 3.68Å; F45-L484 HydrophobicContact CE1-CD1 3.78Å; F45-L484 HydrophobicContact CE1-CG 4.36Å; F45-L484 HydrophobicContact CE2-CB 3.83Å; F45-L484 HydrophobicContact CE2-CD1 4.4Å; F45-L484 HydrophobicContact CG-CD1 4.25Å; F45-L484 HydrophobicContact CZ-CB 3.3Å; F45-L484 HydrophobicContact CZ-CD1 4.1Å; F45-L484 HydrophobicContact CZ-CG 4.36Å; W270-L484 HydrophobicContact CH2-CD2 3.83Å; H480-L484 WeakPolarHBondContact NE2-CD1 3.49Å; H480-L484 WeakPolarHBondContact O-CG 2.9Å; H480-L484 PolarHBondContact O-N 3.4Å; F481-L484 PolarHBondContact O-N 2.86Å; F481-L484 VanDerWaalsContact O-N 3.15Å; Q482-L484 PolarHBondContact O-N 3.24Å; L484-R487 PolarHBondContact O-N 3.46Å; L484-A488 WeakPolarHBondContact O-CB 3.37Å; L484-A488 PolarHBondContact O-N 3.36Å
485H85.6Confident86.6Confident31 Ų3157.3 Ų57.314%0.14431%0.314CS..Hα-helixtrans-62.5-48.1178172.564.3000110.9Q41 F45 F481 Q482 R487 A488 V489Q41-H485 HydrophobicContact CG-CB 4.31Å; Q41-H485 VanDerWaalsContact NE2-CB 3.26Å; F45-H485 HydrophobicContact CE2-CB 4.39Å; F45-H485 HydrophobicContact CZ-CB 4.49Å; F481-H485 WeakPolarHBondContact O-CB 3.49Å; F481-H485 PolarHBondContact O-N 2.97Å; Q482-H485 PolarHBondContact O-N 3.33Å; H485-R487 VanDerWaalsContact C-N 3.34Å; H485-R487 PolarHBondContact O-N 3.26Å; H485-A488 WeakPolarHBondContact O-CB 3.39Å; H485-A488 PolarHBondContact O-N 2.75Å; H485-A488 VanDerWaalsContact O-N 3.09Å; H485-V489 WeakPolarHBondContact O-CG2 3.47Å; H485-V489 PolarHBondContact O-N 3.3Å
486H87.7Confident86.8Confident43 Ų4356.3 Ų56.320%0.19931%0.307CS..Hα-helixtrans-60.8-42.3177.9-176.5-85.9000112.4Q482 A488 H490 S493 P494 P496Q482-H486 WeakPolarHBondContact O-CB 3.28Å; Q482-H486 PolarHBondContact O-N 3.2Å; H486-A488 VanDerWaalsContact C-N 3.29Å; H486-A488 PolarHBondContact O-N 3Å; H486-H490 CarbonylContact O-C 3.55Å; H486-H490 WeakPolarHBondContact O-CA 3.23Å; H486-H490 WeakPolarHBondContact O-CB 3.48Å; H486-H490 PolarHBondContact O-N 2.98Å; H486-S493 PolarHBondContact CE1-OG 3.48Å; H486-S493 PolarHBondContact ND1-OG 3.16Å; H486-P494 PolarHBondContact CE1-O 3.48Å; H486-P496 HydrophobicContact CB-CG 3.79Å
487R87.2Confident86.9Confident115 Ų11558.7 Ų58.743%0.43432%0.318SS..Hα-helixtrans-68.5-27175.9-76.1-62.7-152.4170.74.1113.6C483 L484 H485 P491 S493 L495C483-R487 WeakPolarHBondContact O-CB 3.4Å; C483-R487 WeakPolarHBondContact O-CG 3.4Å; C483-R487 PolarHBondContact O-N 3.26Å; L484-R487 PolarHBondContact O-N 3.46Å; H485-R487 VanDerWaalsContact C-N 3.34Å; H485-R487 PolarHBondContact O-N 3.26Å; R487-P491 PolarHBondContact NH1-O 3.36Å; R487-P491 WeakPolarHBondContact O-CA 3.3Å; R487-S493 PolarHBondContact NH1-O 2.9Å; R487-L495 HydrophobicContact CG-CD2 3.9Å
488A84.3Confident87Confident51 Ų5160.8 Ų60.842%0.42133%0.329SS..Hα-helixtrans-74.9-45.8176.900000111.7F86 L484 H485 H486F86-A488 HydrophobicContact CD1-CB 4.12Å; F86-A488 HydrophobicContact CE1-CB 4.31Å; L484-A488 WeakPolarHBondContact O-CB 3.37Å; L484-A488 PolarHBondContact O-N 3.36Å; H485-A488 WeakPolarHBondContact O-CB 3.39Å; H485-A488 PolarHBondContact O-N 2.75Å; H485-A488 VanDerWaalsContact O-N 3.09Å; H486-A488 VanDerWaalsContact C-N 3.29Å; H486-A488 PolarHBondContact O-N 3Å
489V83.2Confident87.1Confident25 Ų2561.8 Ų61.815%0.15233%0.334CS..Hα-helixtrans-78.4-35-179.8-176.90000111.5H485H485-V489 WeakPolarHBondContact O-CG2 3.47Å; H485-V489 PolarHBondContact O-N 3.3Å
490H85.9Confident86.9Confident80 Ų8063.3 Ų63.337%0.3735%0.353SS..  trans-128.785.5-179.5-55.3-51000110.7H486 D492 S493H486-H490 CarbonylContact O-C 3.55Å; H486-H490 WeakPolarHBondContact O-CA 3.23Å; H486-H490 WeakPolarHBondContact O-CB 3.48Å; H486-H490 PolarHBondContact O-N 2.98Å; H490-D492 PolarHBondContact O-N 3.32Å; H490-S493 WeakPolarHBondContact CB-OG 3.48Å; H490-S493 PolarHBondContact O-OG 3.47Å; H490-S493 VanDerWaalsContact O-OG 3.06Å
491P84.9Confident86.5Confident82 Ų8263.1 Ų63.153%0.53235%0.35SS..THydrogen-bonded Turntrans-60.4-41.2-177.8-26.836.1000113.8R487R487-P491 PolarHBondContact NH1-O 3.36Å; R487-P491 WeakPolarHBondContact O-CA 3.3Å
492D87.8Confident86.3Confident166 Ų16662.2 Ų62.289%0.88835%0.346SS*.THydrogen-bonded Turntrans-85-12.6-170.4-62.7-40.5000114.3H490H490-D492 PolarHBondContact O-N 3.32Å
493S89.9Confident86.2Confident32 Ų3266.7 Ų66.722%0.22437%0.367CS..SBendtrans-84.1150.1-177.558.50000112.2H486 R487 H490H486-S493 PolarHBondContact CE1-OG 3.48Å; H486-S493 PolarHBondContact ND1-OG 3.16Å; R487-S493 PolarHBondContact NH1-O 2.9Å; H490-S493 WeakPolarHBondContact CB-OG 3.48Å; H490-S493 PolarHBondContact O-OG 3.47Å; H490-S493 VanDerWaalsContact O-OG 3.06Å
494P90.8Very high85.8Confident105 Ų10568.5 Ų68.568%0.68238%0.384SS*.PPolyproline II helixtrans-65.4164.817628.6-35.5000111.7H486H486-P494 PolarHBondContact CE1-O 3.48Å
495L89.9Confident85.4Confident102 Ų10267.2 Ų67.253%0.53438%0.38SS..PPolyproline II helixtrans-61136.2178.4-66.1174.5000111C483 R487C483-L495 HydrophobicContact CB-CD2 4.13Å; R487-L495 HydrophobicContact CG-CD2 3.9Å
496P89.3Confident85.3Confident18 Ų1870.4 Ų70.412%0.11740%0.398CS..PPolyproline II helixtrans-71155.4-177.330-35.3000111.2R479 Q482 H486R479-P496 VanDerWaalsContact CZ-O 3.28Å; R479-P496 PolarHBondContact NH1-O 3.24Å; R479-P496 PolarHBondContact NH2-O 3.05Å; Q482-P496 HydrophobicContact CG-CG 4.38Å; H486-P496 HydrophobicContact CB-CG 3.79Å
497P89.4Confident85.1Confident109 Ų10972.2 Ų72.271%0.70841%0.409SS*.PPolyproline II helixtrans-64.3166.5169.829.9-35.3000111.5R479 Q482R479-P497 PolarHBondContact NH1-O 3.34Å; Q482-P497 PolarHBondContact NE2-O 3.05Å
498M85.4Confident84.8Confident68 Ų6871.4 Ų71.434%0.33541%0.406SS..PPolyproline II helixtrans-62.9141.4176.1-168.3161.173.100109.7L502 E503M498-L502 HydrophobicContact CG-CB 4.22Å; M498-L502 HydrophobicContact CG-CD2 3.98Å; M498-L502 HydrophobicContact CG-CG 4.25Å; M498-L502 HydrophobicContact SD-CD2 4.14Å; M498-L502 HydrophobicContact SD-CG 4.25Å; M498-E503 HydrophobicContact CE-CB 3.62Å; M498-E503 HydrophobicContact CE-CG 3.76Å
499E83.3Confident84.8Confident41 Ų4170.8 Ų70.819%0.19240%0.397CS..PPolyproline II helixtrans-67.8139.8179.1-63.1176.2129.100110.4K38 Q482 W501 L502 E503K38-E499 IonicContact NZ-OE1 2.76Å; K38-E499 PolarHBondContact NZ-OE1 3.15Å; K38-E499 IonicContact NZ-OE2 3.34Å; K38-E499 PolarHBondContact NZ-OE2 3.28Å; Q482-E499 VanDerWaalsContact CD-CG 3.5Å; Q482-E499 HydrophobicContact CG-CG 4.21Å; Q482-E499 VanDerWaalsContact NE2-CG 3.34Å; E499-W501 VanDerWaalsContact C-N 3.28Å; E499-W501 VanDerWaalsContact CD-NE1 3.34Å; E499-W501 PolarHBondContact O-N 3.06Å; E499-W501 PolarHBondContact OE2-NE1 3.22Å; E499-L502 WeakPolarHBondContact O-CB 3.47Å; E499-L502 PolarHBondContact O-N 3.47Å; E499-E503 PolarHBondContact O-N 2.94Å
500P83.6Confident84.6Confident105 Ų10576.8 Ų76.868%0.68242%0.424SS*.Hα-helixtrans-57.4-37.5-176.4-27.734.9000114.1L502 E503 A504P500-L502 VanDerWaalsContact C-N 3.31Å; P500-L502 PolarHBondContact O-N 3.38Å; P500-E503 PolarHBondContact O-N 3.13Å; P500-A504 WeakPolarHBondContact O-CB 3.21Å; P500-A504 PolarHBondContact O-N 3.46Å
501W78.8Confident84.4Confident40 Ų4075.6 Ų75.615%0.15242%0.422CS..Hα-helixtrans-66.8-32.5178.574.8-89.1000112.4K38 V225 E226 Q478 E499 A504 A505K38-W501 HydrophobicContact CD-CZ2 4.18Å; V225-W501 HydrophobicContact CG1-CD2 3.53Å; V225-W501 HydrophobicContact CG1-CE3 3.93Å; V225-W501 HydrophobicContact CG1-CG 3.78Å; V225-W501 HydrophobicContact CG1-CH2 4.44Å; V225-W501 HydrophobicContact CG1-CZ2 4.17Å; V225-W501 HydrophobicContact CG1-CZ3 4.36Å; V225-W501 WeakPolarHBondContact O-CZ3 3.5Å; E226-W501 HydrophobicContact CG-CE3 4.37Å; Q478-W501 VanDerWaalsContact CD-CH2 3.43Å; Q478-W501 HydrophobicContact CG-CH2 4.37Å; E499-W501 VanDerWaalsContact C-N 3.28Å; E499-W501 VanDerWaalsContact CD-NE1 3.34Å; E499-W501 PolarHBondContact O-N 3.06Å; E499-W501 PolarHBondContact OE2-NE1 3.22Å; W501-A504 PolarHBondContact O-N 3.07Å; W501-A505 WeakPolarHBondContact O-CB 3.41Å; W501-A505 PolarHBondContact O-N 3.23Å
502L81.8Confident84.4Confident3 Ų371.9 Ų71.92%0.01640%0.398CS..Hα-helixtrans-72.4-36178-176.457000110.7P475 Q478 R479 M498 E499 P500 L506P475-L502 HydrophobicContact CB-CD1 3.67Å; P475-L502 HydrophobicContact CB-CD2 4.42Å; P475-L502 HydrophobicContact CB-CG 4.38Å; Q478-L502 HydrophobicContact CB-CD2 4.45Å; R479-L502 HydrophobicContact CB-CD2 4.3Å; M498-L502 HydrophobicContact CG-CB 4.22Å; M498-L502 HydrophobicContact CG-CD2 3.98Å; M498-L502 HydrophobicContact CG-CG 4.25Å; M498-L502 HydrophobicContact SD-CD2 4.14Å; M498-L502 HydrophobicContact SD-CG 4.25Å; E499-L502 WeakPolarHBondContact O-CB 3.47Å; E499-L502 PolarHBondContact O-N 3.47Å; P500-L502 VanDerWaalsContact C-N 3.31Å; P500-L502 PolarHBondContact O-N 3.38Å; L502-L506 HydrophobicContact CD1-CD1 4.44Å; L502-L506 HydrophobicContact CG-CD1 4.41Å; L502-L506 VanDerWaalsContact O-CG 3.25Å; L502-L506 WeakPolarHBondContact O-CG 3.38Å; L502-L506 PolarHBondContact O-N 2.81Å
503E84.8Confident84.2Confident115 Ų11566.9 Ų66.954%0.53737%0.369SS..Hα-helixtrans-65-49.7171.4-163.8164.1-167.900110.8M498 E499 P500 A505 L506 D507M498-E503 HydrophobicContact CE-CB 3.62Å; M498-E503 HydrophobicContact CE-CG 3.76Å; E499-E503 PolarHBondContact O-N 2.94Å; P500-E503 PolarHBondContact O-N 3.13Å; E503-A505 VanDerWaalsContact C-N 3.3Å; E503-A505 PolarHBondContact O-N 3.15Å; E503-L506 PolarHBondContact O-N 2.98Å; E503-L506 VanDerWaalsContact O-N 3.15Å; E503-D507 WeakPolarHBondContact O-CB 3.49Å; E503-D507 PolarHBondContact O-N 2.76Å
504A81.1Confident84.1Confident62 Ų6272.3 Ų72.351%0.51239%0.391SS..Hα-helixtrans-60.5-36.5178.100000113P500 W501 L506P500-A504 WeakPolarHBondContact O-CB 3.21Å; P500-A504 PolarHBondContact O-N 3.46Å; W501-A504 PolarHBondContact O-N 3.07Å; A504-L506 VanDerWaalsContact C-N 3.35Å
505A78.3Confident83.8Confident18 Ų1874 Ų7415%0.14938%0.383CS..Hα-helixtrans-72.3-27.5178.600000113.2L472 W501 E503L472-A505 HydrophobicContact CD2-CB 4.01Å; L472-A505 WeakPolarHBondContact CD2-O 3.45Å; W501-A505 WeakPolarHBondContact O-CB 3.41Å; W501-A505 PolarHBondContact O-N 3.23Å; E503-A505 VanDerWaalsContact C-N 3.3Å; E503-A505 PolarHBondContact O-N 3.15Å
506L83.2Confident83.7Confident98 Ų9869.2 Ų69.251%0.51336%0.358SS..Hα-helixtrans-89.4-25.7176.1-67.3173.9000112.7P475 L502 E503 A504P475-L506 HydrophobicContact CB-CD1 3.91Å; P475-L506 HydrophobicContact CB-CD2 4.11Å; P475-L506 HydrophobicContact CB-CG 4.41Å; P475-L506 HydrophobicContact CG-CD1 4.28Å; P475-L506 HydrophobicContact CG-CD2 3.92Å; L502-L506 HydrophobicContact CD1-CD1 4.44Å; L502-L506 HydrophobicContact CG-CD1 4.41Å; L502-L506 VanDerWaalsContact O-CG 3.25Å; L502-L506 WeakPolarHBondContact O-CG 3.38Å; L502-L506 PolarHBondContact O-N 2.81Å; E503-L506 PolarHBondContact O-N 2.98Å; E503-L506 VanDerWaalsContact O-N 3.15Å; A504-L506 VanDerWaalsContact C-N 3.35Å
507D83.9Confident83.6Confident82 Ų8273.6 Ų73.644%0.43938%0.377SS..SBendtrans-76.3166.2175.1-153.20.2000110.9E503E503-D507 WeakPolarHBondContact O-CB 3.49Å; E503-D507 PolarHBondContact O-N 2.76Å
508R82.2Confident83.6Confident98 Ų9871.7 Ų71.737%0.3737%0.371SS..PPolyproline II helixtrans-73.2142.1178.234.9172.1-169.6161.58.4110.3E510R508-E510 PolarHBondContact O-N 3.42Å
509P82.6Confident83.8Confident37 Ų3769.1 Ų69.124%0.2436%0.359CS..PPolyproline II helixtrans-53.3139174.5-26.733.6000112.5V511 I512 Q513P509-V511 PolarHBondContact O-N 2.99Å; P509-I512 HydrophobicContact CB-CD1 4.38Å; P509-I512 HydrophobicContact CB-CG1 4.41Å; P509-I512 HydrophobicContact CG-CD1 4.17Å; P509-I512 PolarHBondContact O-N 3.43Å; P509-Q513 PolarHBondContact O-N 3.46Å
510E80.1Confident84.1Confident152 Ų15270.5 Ų70.571%0.7137%0.367SS*.Hα-helixtrans-56-39.4-176-64.3-178.5175.600112.3R508 I512 Q513 E514R508-E510 PolarHBondContact O-N 3.42Å; E510-I512 VanDerWaalsContact C-N 3.26Å; E510-I512 PolarHBondContact O-N 3.33Å; E510-Q513 WeakPolarHBondContact O-CB 3.42Å; E510-Q513 PolarHBondContact O-N 3.22Å; E510-Q513 VanDerWaalsContact O-N 3.07Å; E510-E514 PolarHBondContact O-N 3.26Å
511V81.8Confident84.5Confident54 Ų5471.1 Ų71.133%0.32736%0.361SS..Hα-helixtrans-56.8-39.6176.9-177.30000111.9P509 R515P509-V511 PolarHBondContact O-N 2.99Å; V511-R515 VanDerWaalsContact O-CG 3.23Å; V511-R515 WeakPolarHBondContact O-CG 3.48Å; V511-R515 PolarHBondContact O-N 3.02Å
512I83.8Confident85Confident5 Ų574 Ų743%0.02638%0.377CS..Hα-helixtrans-76.9-38.5178.7-61.4178.7000109.7L459 L466 P509 E510 E514 R515 C516L459-I512 HydrophobicContact CD2-CD1 3.37Å; L459-I512 HydrophobicContact CG-CD1 4.41Å; L466-I512 HydrophobicContact CD1-CD1 4.03Å; L466-I512 HydrophobicContact CD1-CG1 4.3Å; P509-I512 HydrophobicContact CB-CD1 4.38Å; P509-I512 HydrophobicContact CB-CG1 4.41Å; P509-I512 HydrophobicContact CG-CD1 4.17Å; P509-I512 PolarHBondContact O-N 3.43Å; E510-I512 VanDerWaalsContact C-N 3.26Å; E510-I512 PolarHBondContact O-N 3.33Å; I512-E514 VanDerWaalsContact C-N 3.33Å; I512-E514 PolarHBondContact O-N 3.14Å; I512-R515 PolarHBondContact O-N 3.37Å; I512-C516 VanDerWaalsContact O-CB 3.27Å; I512-C516 WeakPolarHBondContact O-CB 3.41Å; I512-C516 PolarHBondContact O-N 3Å; I512-C516 PolarHBondContact O-SG 3.03Å
513Q85.1Confident85.5Confident60 Ų6075.3 Ų75.328%0.2838%0.383SS..Hα-helixtrans-59.1-43.7177.1178.7162.74.900112P509 E510 Q517P509-Q513 PolarHBondContact O-N 3.46Å; E510-Q513 WeakPolarHBondContact O-CB 3.42Å; E510-Q513 PolarHBondContact O-N 3.22Å; E510-Q513 VanDerWaalsContact O-N 3.07Å; Q513-Q517 WeakPolarHBondContact O-CG 3.27Å; Q513-Q517 PolarHBondContact O-N 2.7Å
514E86.8Confident85.8Confident146 Ų14678 Ų7868%0.68239%0.393SS*.Hα-helixtrans-65.2-47.9175.9-69.1-174.3164.800112.1E510 I512 C516 Q517E510-E514 PolarHBondContact O-N 3.26Å; I512-E514 VanDerWaalsContact C-N 3.33Å; I512-E514 PolarHBondContact O-N 3.14Å; E514-C516 VanDerWaalsContact C-N 3.27Å; E514-C516 PolarHBondContact O-N 3.43Å; E514-Q517 PolarHBondContact O-N 3.44Å
515R85.1Confident86.2Confident141 Ų14182.7 Ų82.753%0.53240%0.402SS..Hα-helixtrans-58.2-38.7178-72.5174.2-173.8-173.83.7112.6V511 I512 P519V511-R515 VanDerWaalsContact O-CG 3.23Å; V511-R515 WeakPolarHBondContact O-CG 3.48Å; V511-R515 PolarHBondContact O-N 3.02Å; I512-R515 PolarHBondContact O-N 3.37Å; R515-P519 WeakPolarHBondContact O-CD 3.23Å
516C87Confident86.8Confident1 Ų184.2 Ų84.21%0.00741%0.407CS..Hα-helixtrans-82.3-13.1-173.4-650000114.7S456 M457 I512 E514 A518 P519 L520S456-C516 PolarHBondContact O-SG 2.97Å; M457-C516 HydrophobicContact CG-CB 4.45Å; M457-C516 WeakPolarHBondContact CG-SG 3.23Å; I512-C516 VanDerWaalsContact O-CB 3.27Å; I512-C516 WeakPolarHBondContact O-CB 3.41Å; I512-C516 PolarHBondContact O-N 3Å; I512-C516 PolarHBondContact O-SG 3.03Å; E514-C516 VanDerWaalsContact C-N 3.27Å; E514-C516 PolarHBondContact O-N 3.43Å; C516-A518 PolarHBondContact O-N 3.32Å; C516-P519 WeakPolarHBondContact O-CD 3.39Å; C516-L520 HydrophobicContact CB-CD1 3.99Å; C516-L520 HydrophobicContact CB-CG 4.45Å; C516-L520 VanDerWaalsContact O-CB 3.24Å; C516-L520 WeakPolarHBondContact O-CB 3.45Å; C516-L520 WeakPolarHBondContact O-CD1 3.39Å; C516-L520 WeakPolarHBondContact O-CG 3.24Å; C516-L520 PolarHBondContact O-N 3.4Å
517Q88.6Confident87Confident110 Ų11082.8 Ų82.851%0.51440%0.397SS..Hα-helixtrans-58.9-49.3-175.6-84.6177.225.300112.4Q513 E514 L520 E521Q513-Q517 WeakPolarHBondContact O-CG 3.27Å; Q513-Q517 PolarHBondContact O-N 2.7Å; E514-Q517 PolarHBondContact O-N 3.44Å; Q517-L520 PolarHBondContact O-N 2.87Å; Q517-E521 WeakPolarHBondContact O-CG 3.31Å; Q517-E521 PolarHBondContact O-N 3.05Å; Q517-E521 VanDerWaalsContact O-N 3.08Å
518A89.1Confident87.2Confident69 Ų6984.2 Ų84.257%0.5741%0.411SS*.Hα-helixtrans-65.3-49.1-177.700000113.3C516 L520 E521 E522C516-A518 PolarHBondContact O-N 3.32Å; A518-L520 VanDerWaalsContact C-N 3.33Å; A518-L520 PolarHBondContact O-N 3.32Å; A518-E521 PolarHBondContact O-N 2.82Å; A518-E522 PolarHBondContact O-N 2.99Å
519P89.6Confident87.4Confident15 Ų1587.5 Ų87.510%0.09744%0.435CS..Hα-helixtrans-60.9-37.1174.6-24.232.9000113.7L453 R515 C516 E522 I523L453-P519 HydrophobicContact CB-CB 4.25Å; L453-P519 HydrophobicContact CD1-CB 4.09Å; R515-P519 WeakPolarHBondContact O-CD 3.23Å; C516-P519 WeakPolarHBondContact O-CD 3.39Å; P519-E522 PolarHBondContact O-N 3.07Å; P519-I523 WeakPolarHBondContact O-CG1 3.48Å; P519-I523 PolarHBondContact O-N 2.82Å
520L89.9Confident87.6Confident69 Ų6992 Ų9236%0.36146%0.462SS..Hα-helixtrans-65.1-39.7177.6-77.9169.8000112.3L453 C516 Q517 A518 E522 K524L453-L520 HydrophobicContact CD1-CD2 3.97Å; L453-L520 HydrophobicContact CD1-CG 3.95Å; L453-L520 HydrophobicContact CD2-CD2 4.42Å; C516-L520 HydrophobicContact CB-CD1 3.99Å; C516-L520 HydrophobicContact CB-CG 4.45Å; C516-L520 VanDerWaalsContact O-CB 3.24Å; C516-L520 WeakPolarHBondContact O-CB 3.45Å; C516-L520 WeakPolarHBondContact O-CD1 3.39Å; C516-L520 WeakPolarHBondContact O-CG 3.24Å; C516-L520 PolarHBondContact O-N 3.4Å; Q517-L520 PolarHBondContact O-N 2.87Å; A518-L520 VanDerWaalsContact C-N 3.33Å; A518-L520 PolarHBondContact O-N 3.32Å; L520-E522 VanDerWaalsContact C-N 3.32Å; L520-K524 WeakPolarHBondContact O-CB 3.37Å; L520-K524 PolarHBondContact O-N 2.97Å
521E90.8Very high87.9Confident119 Ų11993.6 Ų93.656%0.55647%0.469SS*.Hα-helixtrans-65.1-36.4175-74.4-167.317300112.5Q517 A518 K525Q517-E521 WeakPolarHBondContact O-CG 3.31Å; Q517-E521 PolarHBondContact O-N 3.05Å; Q517-E521 VanDerWaalsContact O-N 3.08Å; A518-E521 PolarHBondContact O-N 2.82Å; E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 3.23Å
522E89.8Confident87.9Confident100 Ų10096.7 Ų96.747%0.46749%0.488SS..Hα-helixtrans-67.4-47.2175.8-173.7171.1-169.400111.6A518 P519 L520 K524 K525 L526A518-E522 PolarHBondContact O-N 2.99Å; P519-E522 PolarHBondContact O-N 3.07Å; L520-E522 VanDerWaalsContact C-N 3.32Å; E522-K524 VanDerWaalsContact C-N 3.3Å; E522-K524 PolarHBondContact O-N 2.89Å; E522-K525 WeakPolarHBondContact O-CB 3.42Å; E522-K525 PolarHBondContact O-N 3.35Å; E522-L526 HydrophobicContact CG-CD1 3.91Å; E522-L526 HydrophobicContact CG-CG 4.45Å; E522-L526 WeakPolarHBondContact O-CG 3.46Å; E522-L526 PolarHBondContact O-N 2.6Å
523I91.3Very high87.6Confident30 Ų30104.7 Ų104.715%0.15453%0.525CS..Hα-helixtrans-59-42.7175.1-73.9171.7000110.9A449 L453 P519 K525 L526 F527A449-I523 HydrophobicContact CB-CG1 4.06Å; L453-I523 HydrophobicContact CB-CD1 3.58Å; L453-I523 HydrophobicContact CD1-CD1 4.4Å; L453-I523 HydrophobicContact CD2-CD1 3.42Å; L453-I523 VanDerWaalsContact CD2-CD1 3.42Å; L453-I523 HydrophobicContact CG-CD1 3.96Å; P519-I523 WeakPolarHBondContact O-CG1 3.48Å; P519-I523 PolarHBondContact O-N 2.82Å; I523-K525 PolarHBondContact O-N 2.99Å; I523-L526 PolarHBondContact O-N 3.15Å; I523-L526 VanDerWaalsContact O-N 3.12Å; I523-F527 HydrophobicContact CB-CD2 4.41Å; I523-F527 HydrophobicContact CG2-CD2 3.72Å; I523-F527 HydrophobicContact CG2-CE2 4.24Å; I523-F527 WeakPolarHBondContact O-CD2 3.38Å; I523-F527 PolarHBondContact O-N 2.96Å
524K90.9Very high87Confident171 Ų171110.6 Ų110.674%0.74355%0.55SS**Hα-helixtrans-60-30.8177.2-172.1176.6-179.8179.90112.5L520 E522L520-K524 WeakPolarHBondContact O-CB 3.37Å; L520-K524 PolarHBondContact O-N 2.97Å; E522-K524 VanDerWaalsContact C-N 3.3Å; E522-K524 PolarHBondContact O-N 2.89Å
525K90.3Very high86Confident161 Ų161113.6 Ų113.670%0.756%0.561SS**Hα-helixtrans-78.6-38.8174.8-68.2165.8-173.1163.80112E521 E522 I523E521-K525 WeakPolarHBondContact O-CG 3.34Å; E521-K525 PolarHBondContact O-N 3.23Å; E522-K525 WeakPolarHBondContact O-CB 3.42Å; E522-K525 PolarHBondContact O-N 3.35Å; I523-K525 PolarHBondContact O-N 2.99Å
526L90.1Very high84.9Confident51 Ų51115 Ų11527%0.26757%0.571SS.*Hα-helixtrans-79.8-24.9-176-68173.8000114.3Q446 A449 E522 I523 P528Q446-L526 HydrophobicContact CG-CB 4.38Å; Q446-L526 PolarHBondContact NE2-O 2.84Å; A449-L526 HydrophobicContact CB-CD1 3.5Å; E522-L526 HydrophobicContact CG-CD1 3.91Å; E522-L526 HydrophobicContact CG-CG 4.45Å; E522-L526 WeakPolarHBondContact O-CG 3.46Å; E522-L526 PolarHBondContact O-N 2.6Å; I523-L526 PolarHBondContact O-N 3.15Å; I523-L526 VanDerWaalsContact O-N 3.12Å; L526-P528 VanDerWaalsContact O-CD 3.31Å; L526-P528 WeakPolarHBondContact O-CD 3.24Å
527F88.4Confident83.6Confident67 Ų67124.4 Ų124.429%0.29461%0.612SS.*SBendtrans-116.284179.9-66.4-84.1000111.4Q446 I450 I523 L529Q446-F527 HydrophobicContact CB-CE1 4.17Å; Q446-F527 HydrophobicContact CB-CE2 4.13Å; Q446-F527 HydrophobicContact CB-CZ 3.55Å; Q446-F527 HydrophobicContact CG-CE1 3.88Å; Q446-F527 HydrophobicContact CG-CE2 3.98Å; Q446-F527 HydrophobicContact CG-CZ 3.58Å; I450-F527 HydrophobicContact CD1-CE2 4.23Å; I450-F527 HydrophobicContact CD1-CZ 3.79Å; I450-F527 HydrophobicContact CG1-CE2 4.29Å; I450-F527 HydrophobicContact CG1-CZ 4.34Å; I523-F527 HydrophobicContact CB-CD2 4.41Å; I523-F527 HydrophobicContact CG2-CD2 3.72Å; I523-F527 HydrophobicContact CG2-CE2 4.24Å; I523-F527 WeakPolarHBondContact O-CD2 3.38Å; I523-F527 PolarHBondContact O-N 2.96Å; F527-L529 PolarHBondContact O-N 2.95Å; F527-L529 VanDerWaalsContact O-N 3.14Å
528P87.6Confident82.3Confident113 Ų113127.4 Ų127.473%0.73463%0.63SS**  trans-69.9111.6177.128.2-33.3000110.5L526L526-P528 VanDerWaalsContact O-CD 3.31Å; L526-P528 WeakPolarHBondContact O-CD 3.24Å
529L87.5Confident80.9Confident166 Ų166130 Ų13087%0.86963%0.629SS**  trans-99.8130.6174.3-66.3172000109.8F527F527-L529 PolarHBondContact O-N 2.95Å; F527-L529 VanDerWaalsContact O-N 3.14Å
530T87.2Confident79.5Confident131 Ų131134 Ų13480%0.80465%0.653SS**  trans-104.7125.1171.147.30000108.7V532T530-V532 PolarHBondContact O-N 2.79Å
531E85Confident78Confident187 Ų187134.5 Ų134.587%0.87466%0.662SS**  trans-69.7118.3174.6-171.1176.817700108.6E533E531-E533 PolarHBondContact O-N 3.25Å
532V82.7Confident76.4Confident119 Ų119132 Ų13272%0.72166%0.662SS**  trans-77107.8170.3-179.20000106.8T530 K534T530-V532 PolarHBondContact O-N 2.79Å; V532-K534 VanDerWaalsContact C-N 3.33Å; V532-K534 PolarHBondContact O-N 2.79Å
533E77.6Confident74.8Confident172 Ų172133.7 Ų133.780%0.80467%0.67SS**  trans-58.895.2173.7-67.4-167.616800109.6E531 K535E531-E533 PolarHBondContact O-N 3.25Å; E533-K535 PolarHBondContact O-N 3.02Å
534K71.4Confident73.2Confident185 Ų185137.4 Ų137.480%0.80469%0.689SS**  trans-63.4134.1164.4-67.1-179.3-178.6175.40106.2V532 K536V532-K534 VanDerWaalsContact C-N 3.33Å; V532-K534 PolarHBondContact O-N 2.79Å; K534-K536 PolarHBondContact O-N 2.82Å
535K65.5Low72Confident208 Ų208137.7 Ų137.790%0.90469%0.69SS**  trans-40.6116.4173.2-74.9-176.2177.7-179.40108.3E533 K537E533-K535 PolarHBondContact O-N 3.02Å; K535-K537 PolarHBondContact O-N 3.31Å; K535-K537 VanDerWaalsContact O-N 3.15Å
536K61.8Low70.4Confident172 Ų172132.3 Ų132.375%0.74868%0.681SS**  trans-47.5126.2-176.5-72.7177.6179.8171.90107.8K534 L538K534-K536 PolarHBondContact O-N 2.82Å; K536-L538 PolarHBondContact O-N 3.04Å
537K61.2Low68.3Low198 Ų198139.1 Ų139.186%0.86171%0.708SS**  trans-50.2130.7165.8-71.7-177.7177.6-179.50106K535 K539K535-K537 PolarHBondContact O-N 3.31Å; K535-K537 VanDerWaalsContact O-N 3.15Å; K537-K539 PolarHBondContact O-N 3.32Å
538L61.2Low65.8Low173 Ų173142.7 Ų142.791%0.90673%0.731SS**  trans-43.2116.3174.9-81.3153.1000107.3K536 T540K536-L538 PolarHBondContact O-N 3.04Å; L538-T540 PolarHBondContact O-N 2.83Å; L538-T540 VanDerWaalsContact O-N 3.08Å
539K59.4Low63.6Low124 Ų124143.4 Ų143.454%0.53974%0.738SS.*  trans-55.7120.7177.6-70-177.3177.3-174.30106.5K537 Q543 I544K537-K539 PolarHBondContact O-N 3.32Å; K539-Q543 HydrophobicContact CB-CB 4.37Å; K539-I544 HydrophobicContact CB-CD1 4.07Å; K539-I544 HydrophobicContact CB-CG1 3.9Å; K539-I544 HydrophobicContact CD-CG1 4.37Å
540T61.1Low61.1Low97 Ų97143.7 Ų143.760%0.59574%0.735SS**  trans-58147.2170.4-10000108.3L538 A542 Q543L538-T540 PolarHBondContact O-N 2.83Å; L538-T540 VanDerWaalsContact O-N 3.08Å; T540-A542 PolarHBondContact O-N 3.36Å; T540-Q543 PolarHBondContact O-N 3.47Å
541S56.7Low58.8Low81 Ų81146.4 Ų146.457%0.56674%0.739SS**Hα-helixtrans-47.6-33.4179.551.30000113Q543 I544 F545S541-Q543 VanDerWaalsContact C-N 3.29Å; S541-Q543 PolarHBondContact O-N 3.27Å; S541-I544 PolarHBondContact O-N 3.39Å; S541-F545 WeakPolarHBondContact O-CD2 3.29Å; S541-F545 PolarHBondContact O-N 3.4Å
542A57.7Low56.3Low67 Ų67143.6 Ų143.655%0.55474%0.737SS**Hα-helixtrans-59-29.4174.900000115T540 G546T540-A542 PolarHBondContact O-N 3.36Å; A542-G546 WeakPolarHBondContact O-CA 3.39Å; A542-G546 PolarHBondContact O-N 2.81Å
543Q55.8Low53.7Low135 Ų135144.9 Ų144.963%0.63174%0.739SS**Hα-helixtrans-88.2-11.8175.2-72.1-178.4-4.300113.3K539 T540 S541K539-Q543 HydrophobicContact CB-CB 4.37Å; T540-Q543 PolarHBondContact O-N 3.47Å; S541-Q543 VanDerWaalsContact C-N 3.29Å; S541-Q543 PolarHBondContact O-N 3.27Å
544I58.9Low51.7Low107 Ų107140.5 Ų140.555%0.54973%0.733SS.*Hα-helixtrans-94.2-36177.1-59.3174.8000109.9K539 S541K539-I544 HydrophobicContact CB-CD1 4.07Å; K539-I544 HydrophobicContact CB-CG1 3.9Å; K539-I544 HydrophobicContact CD-CG1 4.37Å; S541-I544 PolarHBondContact O-N 3.39Å
545F65.8Low49.9Very low177 Ų177141.9 Ų141.978%0.77674%0.739SS**Hα-helixtrans-109.6-12.6-176.7-65.8-77.6000114.1S541S541-F545 WeakPolarHBondContact O-CD2 3.29Å; S541-F545 PolarHBondContact O-N 3.4Å
546G56.3Low48.3Very low49 Ų49142 Ų14251%0.50574%0.739SS.*SBendtrans-109.463.9-173.700000113.5A542A542-G546 WeakPolarHBondContact O-CA 3.39Å; A542-G546 PolarHBondContact O-N 2.81Å
547K44.8Very low46.7Very low193 Ų193138.4 Ų138.484%0.83974%0.742SS**SBendtrans179.584.3148.3-105.3178.7178.5-175.80108.5
548D37.1Very low45Very low143 Ų143138.8 Ų138.877%0.76574%0.743SS**  178.7111.7114.5-82.5-24.5000107.2E550D548-E550 PolarHBondContact O-N 3.37Å
549S41.2Very low43.4Very low127 Ų127138.3 Ų138.389%0.88874%0.737SS**  trans-73.271.4163.354.10000108.3
550E34.9Very low41.8Very low173 Ų173140.5 Ų140.581%0.80875%0.754SS**  trans-126.4102.9154.9-75-164.6163.200106.4D548 P552D548-E550 PolarHBondContact O-N 3.37Å; E550-P552 WeakPolarHBondContact O-CD 3.17Å
551E38.5Very low40.5Very low187 Ų187144.5 Ų144.587%0.87477%0.766SS**  trans-60.2139.6166.9-68.4-176.3150.500109.5
552P31.8Very low39.2Very low128 Ų128144.5 Ų144.583%0.83177%0.771SS**  trans-119.7124.2136.119.7-2.7000110.2E550E550-P552 WeakPolarHBondContact O-CD 3.17Å
553D28.7Very low37.9Very low146 Ų146150.7 Ų150.778%0.78179%0.789SS**  trans-56.2142.8179.1-135.8-33.2000114.2
554A36.4Very low36.8Very low81 Ų81150.1 Ų150.167%0.66979%0.79SS**  trans45.1125.3152.100000121.9
555K32.7Very low35.5Very low214 Ų214153.9 Ų153.993%0.9381%0.805SS**  -160.2124.4111.3-106.1166.2-170.4176.10113.5
556K32.5Very low34Very low210 Ų210155.3 Ų155.391%0.91381%0.807SS**  trans-59.6142.1175.6-70172.8170.61770114.1
557A27Very low33Very low97 Ų97156 Ų15680%0.80280%0.804SS**  trans-157.995.2136.400000107.7
558K27.1Very low32.9Very low205 Ų205154.1 Ų154.189%0.89180%0.802SS**  71.4113.7109.7-107-169.1176.4-171.50114.8
559E27.7Very low33.1Very low164 Ų164149.6 Ų149.677%0.76679%0.785SS**  trans-45.4139.1166.1-70.6148.5147.500112.6
560D26Very low33.3Very low170 Ų170147.4 Ų147.491%0.90977%0.77SS**  -130.9118.7128.1-88.1-34.2000106.8A562D560-A562 PolarHBondContact O-N 3.35Å
561E33.2Very low34Very low181 Ų181146 Ų14685%0.84677%0.766SS**  trans-66.1114173.5-67.2173.4147.800109.3
562A28.8Very low34.2Very low81 Ų81141.5 Ų141.567%0.66976%0.761SS**  trans-121117.9148.900000105.7D560 D564D560-A562 PolarHBondContact O-N 3.35Å; A562-D564 VanDerWaalsContact C-N 3.29Å; A562-D564 PolarHBondContact O-N 3.28Å
563E31.2Very low35.1Very low196 Ų196140.7 Ų140.792%0.91675%0.746SS**  trans-56.393.1172.1-67.9174.5152.200108.9E565E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 3.12Å
564D32Very low36.2Very low123 Ų123136.6 Ų136.666%0.65874%0.738SS**  trans-69.499.7162.9-83.6-32.3000106.6A562 Y566A562-D564 VanDerWaalsContact C-N 3.29Å; A562-D564 PolarHBondContact O-N 3.28Å; D564-Y566 HydrophobicContact CB-CD2 3.8Å; D564-Y566 HydrophobicContact CB-CE2 3.73Å; D564-Y566 WeakPolarHBondContact O-CD2 3.24Å; D564-Y566 PolarHBondContact O-N 3.47Å
565E31.8Very low37.2Very low186 Ų186137.2 Ų137.287%0.86974%0.738SS**  trans-60.483.4163.7-159.9175.5-149.600107.6E563 S567E563-E565 VanDerWaalsContact C-N 3.34Å; E563-E565 PolarHBondContact O-N 3.12Å; E565-S567 PolarHBondContact O-N 3.33Å
566Y33.7Very low38.7Very low207 Ų207128.9 Ų128.981%0.81270%0.704SS**  trans-66.778.8171.5-89.3-88.7000108.8D564D564-Y566 HydrophobicContact CB-CD2 3.8Å; D564-Y566 HydrophobicContact CB-CE2 3.73Å; D564-Y566 WeakPolarHBondContact O-CD2 3.24Å; D564-Y566 PolarHBondContact O-N 3.47Å
567S37Very low40.3Very low64 Ų64124 Ų12445%0.44869%0.692SS.*  trans-77123169.4179.70000109.6E565 A569 S570E565-S567 PolarHBondContact O-N 3.33Å; S567-A569 PolarHBondContact O-N 3.02Å; S567-A569 PolarHBondContact OG-N 3.46Å; S567-S570 PolarHBondContact O-N 2.83Å; S567-S570 PolarHBondContact O-OG 3.13Å
568L41.8Very low42.4Very low154 Ų154122.4 Ų122.481%0.80668%0.675SS**THydrogen-bonded Turntrans-52.7-15.9173.1-88.6150.4000113.5S570L568-S570 VanDerWaalsContact C-N 3.31Å; L568-S570 PolarHBondContact O-N 3.26Å
569A40.8Very low44.6Very low48 Ų48113.3 Ų113.340%0.39764%0.637SS.*Hα-helixtrans-68.3-24.7175.100000113.8S567 I571 A572 E573S567-A569 PolarHBondContact O-N 3.02Å; S567-A569 PolarHBondContact OG-N 3.46Å; A569-I571 VanDerWaalsContact C-N 3.27Å; A569-I571 PolarHBondContact O-N 3.04Å; A569-A572 PolarHBondContact O-N 2.96Å; A569-E573 PolarHBondContact O-N 3.21Å
570S45.5Very low46.7Very low81 Ų81106.7 Ų106.757%0.56661%0.613SS**Hα-helixtrans-75.4-12-177.161.50000114.6S567 L568S567-S570 PolarHBondContact O-N 2.83Å; S567-S570 PolarHBondContact O-OG 3.13Å; L568-S570 VanDerWaalsContact C-N 3.31Å; L568-S570 PolarHBondContact O-N 3.26Å
571I49.9Very low48.6Very low144 Ų144101.8 Ų101.874%0.73859%0.592SS**Hα-helixtrans-92.4-27.7176.2-60.6174.6000111.2A569A569-I571 VanDerWaalsContact C-N 3.27Å; A569-I571 PolarHBondContact O-N 3.04Å
572A43.1Very low50.3Low91 Ų9198.7 Ų98.775%0.75259%0.585SS**Hα-helixtrans-81.7-33.1-178.100000113A569 G574A569-A572 PolarHBondContact O-N 2.96Å; A572-G574 PolarHBondContact O-N 3.09Å
573E49.8Very low52.4Low111 Ų11198.6 Ų98.652%0.51957%0.573SS.*SBendtrans-90.799.5174.8-72.5175.3169.900109.6A569 R586A569-E573 PolarHBondContact O-N 3.21Å; E573-R586 IonicContact OE1-NH1 3.73Å; E573-R586 IonicContact OE2-CZ 3.22Å; E573-R586 IonicContact OE2-NH1 3.37Å; E573-R586 PolarHBondContact OE2-NH1 2.92Å; E573-R586 IonicContact OE2-NH2 2.79Å; E573-R586 PolarHBondContact OE2-NH2 3.34Å
574G52.5Low54.7Low61 Ų6189.4 Ų89.463%0.62953%0.53SS*.  trans-49.7158.4-178.600000114.1A572 V576A572-G574 PolarHBondContact O-N 3.09Å; G574-V576 PolarHBondContact O-N 3.08Å
575S58.1Low56.8Low94 Ų9483.6 Ų83.666%0.65750%0.5SS*.  trans-47.1114.3-176.9580000111.9T577S575-T577 PolarHBondContact O-N 3.06Å
576V62.4Low59.1Low38 Ų3880.4 Ų80.423%0.2348%0.48CS..  trans-62118.7176.9-178.10000108.7G574 S578 D587 L591G574-V576 PolarHBondContact O-N 3.08Å; V576-S578 VanDerWaalsContact CG1-O 3.31Å; V576-S578 WeakPolarHBondContact CG1-O 3.46Å; V576-D587 HydrophobicContact CG1-CB 3.9Å; V576-L591 HydrophobicContact CG1-CD1 4.29Å; V576-L591 HydrophobicContact CG1-CD2 4.29Å; V576-L591 HydrophobicContact CG1-CG 4.06Å; V576-L591 WeakPolarHBondContact O-CD2 3.45Å
577T67.8Low61.4Low107 Ų10771.9 Ų71.966%0.65645%0.448SS*.  trans-107.2-15.8-178.346.50000113.1S575S575-T577 PolarHBondContact O-N 3.06Å
578S71.3Confident63.5Low64 Ų6468.8 Ų68.845%0.44843%0.427SS..SBendtrans-154.1161.4176.2620000111V576 G580V576-S578 VanDerWaalsContact CG1-O 3.31Å; V576-S578 WeakPolarHBondContact CG1-O 3.46Å; S578-G580 PolarHBondContact O-N 3.36Å
579V73.1Confident65.3Low15 Ų1565.3 Ų65.39%0.09140%0.403CS..  trans-72.3112.7179.9-179.40000110P584 D587 F588 L591 V602 Q605 L606V579-P584 HydrophobicContact CG1-CB 3.7Å; V579-D587 HydrophobicContact CG1-CB 4.46Å; V579-F588 HydrophobicContact CG2-CB 4.45Å; V579-F588 HydrophobicContact CG2-CD2 4.47Å; V579-L591 HydrophobicContact CG2-CD1 3.73Å; V579-V602 HydrophobicContact CG2-CG1 4.46Å; V579-Q605 HydrophobicContact CG2-CB 4.32Å; V579-L606 HydrophobicContact CG1-CD1 3.97Å
580G70.9Confident67.2Low24 Ų2464.3 Ų64.325%0.24740%0.395CS..  trans-81.5-179.8-175.500000114.7S578 P584 D587S578-G580 PolarHBondContact O-N 3.36Å; G580-P584 WeakPolarHBondContact O-CG 3.33Å; G580-D587 VanDerWaalsContact CA-OD2 3.28Å; G580-D587 WeakPolarHBondContact CA-OD2 3.23Å; G580-D587 PolarHBondContact N-OD2 2.86Å
581S65.8Low68.8Low67 Ų6760.5 Ų60.547%0.46937%0.368SS..SBendtrans-90.4-20.7-177.756.80000114.7R609S581-R609 VanDerWaalsContact CB-CZ 3.49Å
582V68.6Low70.1Confident116 Ų11654.6 Ų54.670%0.70334%0.338SS*.SBendtrans-84.5-53.1-167-1780000110.7K624V582-K624 PolarHBondContact O-NZ 2.94Å
583D74.5Confident71.8Confident79 Ų7958.8 Ų58.842%0.42234%0.339SS..  trans-138.579.6171.6-166.8-9.2000112A585 R586 D587D583-A585 PolarHBondContact O-N 2.78Å; D583-R586 HydrophobicContact CB-CB 4.21Å; D583-R586 PolarHBondContact O-N 2.94Å; D583-R586 PolarHBondContact OD1-N 2.92Å; D583-D587 PolarHBondContact O-N 3.27Å
584P77.6Confident73Confident3 Ų357.8 Ų57.82%0.01933%0.334CS..Hα-helixtrans-62.5-27.4-174.1-15.624.9000113.9V579 G580 F588 L606 R609 L613V579-P584 HydrophobicContact CG1-CB 3.7Å; G580-P584 WeakPolarHBondContact O-CG 3.33Å; P584-F588 VanDerWaalsContact O-CB 3.24Å; P584-F588 WeakPolarHBondContact O-CB 3.41Å; P584-F588 PolarHBondContact O-N 3.44Å; P584-L606 HydrophobicContact CB-CD1 4.17Å; P584-R609 HydrophobicContact CB-CG 4.4Å; P584-R609 HydrophobicContact CG-CG 4.29Å; P584-L613 HydrophobicContact CG-CD1 4.25Å
585A77.6Confident73.8Confident2 Ų263.5 Ų63.52%0.01734%0.342CS..Hα-helixtrans-74.1-37.6-178.700000111.8D583 R589 T627 A631D583-A585 PolarHBondContact O-N 2.78Å; A585-R589 WeakPolarHBondContact O-CG 3.48Å; A585-R589 PolarHBondContact O-N 3.42Å; A585-T627 HydrophobicContact CB-CG2 4.28Å; A585-A631 HydrophobicContact CB-CB 4.12Å
586R80Confident74Confident119 Ų11963.2 Ų63.245%0.44934%0.336SS..Hα-helixtrans-68-46.3174-177.5-179.9169.8-155.8-7.6111E573 D583 F588 R589 A590E573-R586 IonicContact OE1-NH1 3.73Å; E573-R586 IonicContact OE2-CZ 3.22Å; E573-R586 IonicContact OE2-NH1 3.37Å; E573-R586 PolarHBondContact OE2-NH1 2.92Å; E573-R586 IonicContact OE2-NH2 2.79Å; E573-R586 PolarHBondContact OE2-NH2 3.34Å; D583-R586 HydrophobicContact CB-CB 4.21Å; D583-R586 PolarHBondContact O-N 2.94Å; D583-R586 PolarHBondContact OD1-N 2.92Å; R586-F588 VanDerWaalsContact C-N 3.32Å; R586-F588 PolarHBondContact O-N 3.41Å; R586-R589 PolarHBondContact O-N 3.07Å; R586-A590 WeakPolarHBondContact O-CB 3.36Å; R586-A590 PolarHBondContact O-N 3.03Å
587D81.3Confident74.5Confident27 Ų2764.3 Ų64.314%0.14434%0.34CS..Hα-helixtrans-60.1-43.1179.2-67.1-14.6000111.6V576 V579 G580 D583 A590 L591V576-D587 HydrophobicContact CG1-CB 3.9Å; V579-D587 HydrophobicContact CG1-CB 4.46Å; G580-D587 VanDerWaalsContact CA-OD2 3.28Å; G580-D587 WeakPolarHBondContact CA-OD2 3.23Å; G580-D587 PolarHBondContact N-OD2 2.86Å; D583-D587 PolarHBondContact O-N 3.27Å; D587-A590 PolarHBondContact O-N 3.37Å; D587-L591 WeakPolarHBondContact O-CB 3.48Å; D587-L591 WeakPolarHBondContact O-CG 3.39Å; D587-L591 PolarHBondContact O-N 2.88Å
588F80.7Confident75Confident0 Ų062.9 Ų62.90%033%0.333CS..Hα-helixtrans-61.2-44.8176.1-178.8-106.6000112.8V579 P584 R586 A590 I592 F599 V602 L606 F632 Q635V579-F588 HydrophobicContact CG2-CB 4.45Å; V579-F588 HydrophobicContact CG2-CD2 4.47Å; P584-F588 VanDerWaalsContact O-CB 3.24Å; P584-F588 WeakPolarHBondContact O-CB 3.41Å; P584-F588 PolarHBondContact O-N 3.44Å; R586-F588 VanDerWaalsContact C-N 3.32Å; R586-F588 PolarHBondContact O-N 3.41Å; F588-A590 VanDerWaalsContact C-N 3.34Å; F588-A590 PolarHBondContact O-N 3.04Å; F588-I592 HydrophobicContact CD1-CD1 3.86Å; F588-I592 HydrophobicContact CD2-CD1 4.3Å; F588-I592 HydrophobicContact CE1-CD1 3.37Å; F588-I592 HydrophobicContact CE2-CD1 3.87Å; F588-I592 HydrophobicContact CG-CD1 4.3Å; F588-I592 HydrophobicContact CZ-CD1 3.39Å; F588-I592 WeakPolarHBondContact O-CG1 3.4Å; F588-I592 PolarHBondContact O-N 3.16Å; F588-I592 VanDerWaalsContact O-N 3.16Å; F588-F599 HydrophobicContact CZ-CE2 4.49Å; F588-V602 HydrophobicContact CD2-CG1 3.58Å; F588-V602 HydrophobicContact CE2-CB 4.42Å; F588-V602 HydrophobicContact CE2-CG1 3.72Å; F588-L606 HydrophobicContact CB-CD1 4.21Å; F588-L606 HydrophobicContact CB-CD2 4.33Å; F588-L606 HydrophobicContact CD1-CD2 3.89Å; F588-L606 HydrophobicContact CD2-CB 3.81Å; F588-L606 HydrophobicContact CD2-CD1 4.46Å; F588-L606 HydrophobicContact CD2-CD2 3.64Å; F588-L606 HydrophobicContact CD2-CG 4.16Å; F588-L606 HydrophobicContact CE1-CD2 4Å; F588-L606 HydrophobicContact CE2-CB 4.05Å; F588-L606 HydrophobicContact CE2-CD2 3.78Å; F588-L606 HydrophobicContact CG-CD1 4.42Å; F588-L606 HydrophobicContact CG-CD2 3.7Å; F588-L606 HydrophobicContact CG-CG 4.43Å; F588-L606 HydrophobicContact CZ-CD2 3.95Å; F588-F632 HydrophobicContact CE1-CB 4.47Å; F588-F632 HydrophobicContact CE1-CD2 4.24Å; F588-F632 AromaticContact CZ-CD2 3.77Å; F588-F632 HydrophobicContact CZ-CD2 3.77Å; F588-F632 HydrophobicContact CZ-CE2 4.44Å; F588-Q635 HydrophobicContact CD1-CG 4.35Å; F588-Q635 HydrophobicContact CE1-CB 3.92Å; F588-Q635 HydrophobicContact CE1-CG 3.94Å
589R81.1Confident75.3Confident80 Ų8061 Ų6130%0.30232%0.317SS..Hα-helixtrans-65.4-38176.7-70.2-176-175.1112.4-8.6111.8A585 R586 K593 E634 Q635A585-R589 WeakPolarHBondContact O-CG 3.48Å; A585-R589 PolarHBondContact O-N 3.42Å; R586-R589 PolarHBondContact O-N 3.07Å; R589-K593 WeakPolarHBondContact O-CG 3.42Å; R589-K593 PolarHBondContact O-N 3.5Å; R589-K593 VanDerWaalsContact O-N 3.16Å; R589-E634 IonicContact CZ-OE2 3.47Å; R589-E634 IonicContact NE-OE2 2.85Å; R589-E634 IonicContact NH2-OE2 3.52Å; R589-E634 PolarHBondContact NH2-OE2 3.23Å; R589-Q635 HydrophobicContact CG-CG 4.5Å
590A79.8Confident75.4Confident28 Ų2861.6 Ų61.623%0.23133%0.326CS..Hα-helixtrans-65.7-46.6177.900000111.8R586 D587 F588 I592 K593 Q594R586-A590 WeakPolarHBondContact O-CB 3.36Å; R586-A590 PolarHBondContact O-N 3.03Å; D587-A590 PolarHBondContact O-N 3.37Å; F588-A590 VanDerWaalsContact C-N 3.34Å; F588-A590 PolarHBondContact O-N 3.04Å; A590-I592 VanDerWaalsContact C-N 3.32Å; A590-I592 PolarHBondContact O-N 2.9Å; A590-K593 PolarHBondContact O-N 2.84Å; A590-Q594 WeakPolarHBondContact O-CG 3.16Å; A590-Q594 PolarHBondContact O-N 3.11Å
591L78.6Confident75.7Confident1 Ų165 Ų651%0.00534%0.336CS..Hα-helixtrans-61.5-38.7178.3-74.4168.9000112.5V576 V579 D587 Q594 K595 V602V576-L591 HydrophobicContact CG1-CD1 4.29Å; V576-L591 HydrophobicContact CG1-CD2 4.29Å; V576-L591 HydrophobicContact CG1-CG 4.06Å; V576-L591 WeakPolarHBondContact O-CD2 3.45Å; V579-L591 HydrophobicContact CG2-CD1 3.73Å; D587-L591 WeakPolarHBondContact O-CB 3.48Å; D587-L591 WeakPolarHBondContact O-CG 3.39Å; D587-L591 PolarHBondContact O-N 2.88Å; L591-Q594 PolarHBondContact O-N 3.29Å; L591-K595 PolarHBondContact O-N 3.26Å; L591-V602 HydrophobicContact CB-CG1 4.03Å; L591-V602 HydrophobicContact CD1-CG1 4.22Å
592I78.5Confident76.5Confident20 Ų2062 Ų6210%0.10331%0.314CS..Hα-helixtrans-66.9-39.8176.2-72.2171.8000111.8F588 A590 K595 F599 Q635F588-I592 HydrophobicContact CD1-CD1 3.86Å; F588-I592 HydrophobicContact CD2-CD1 4.3Å; F588-I592 HydrophobicContact CE1-CD1 3.37Å; F588-I592 HydrophobicContact CE2-CD1 3.87Å; F588-I592 HydrophobicContact CG-CD1 4.3Å; F588-I592 HydrophobicContact CZ-CD1 3.39Å; F588-I592 WeakPolarHBondContact O-CG1 3.4Å; F588-I592 PolarHBondContact O-N 3.16Å; F588-I592 VanDerWaalsContact O-N 3.16Å; A590-I592 VanDerWaalsContact C-N 3.32Å; A590-I592 PolarHBondContact O-N 2.9Å; I592-K595 PolarHBondContact O-N 3.43Å; I592-F599 HydrophobicContact CD1-CD2 4.06Å; I592-F599 HydrophobicContact CD1-CE2 3.74Å; I592-F599 HydrophobicContact CG1-CD2 4.26Å; I592-F599 HydrophobicContact CG1-CE2 4.43Å; I592-Q635 HydrophobicContact CD1-CB 3.73Å; I592-Q635 HydrophobicContact CD1-CG 3.87Å
593K78.4Confident77Confident178 Ų17856.6 Ų56.677%0.77428%0.282SS*.Hα-helixtrans-66-37.9176.4-76.5-176.1177.6-172.30112.2R589 A590 K595R589-K593 WeakPolarHBondContact O-CG 3.42Å; R589-K593 PolarHBondContact O-N 3.5Å; R589-K593 VanDerWaalsContact O-N 3.16Å; A590-K593 PolarHBondContact O-N 2.84Å; K593-K595 VanDerWaalsContact C-N 3.33Å; K593-K595 PolarHBondContact O-N 3.02Å
594Q73.6Confident77.4Confident91 Ų9159.4 Ų59.443%0.42529%0.292SS..Hα-helixtrans-75.1-18.9-178.5-70.5178.9600113.8A590 L591 T596A590-Q594 WeakPolarHBondContact O-CG 3.16Å; A590-Q594 PolarHBondContact O-N 3.11Å; L591-Q594 PolarHBondContact O-N 3.29Å; Q594-T596 HydrophobicContact CB-CG2 4.12Å; Q594-T596 PolarHBondContact O-N 2.88Å; Q594-T596 VanDerWaalsContact O-N 3.16Å
595K69.3Low77.6Confident181 Ų18162.5 Ų62.579%0.78731%0.306SS*.THydrogen-bonded Turntrans54.626.6-179-62.6-175.8177.1178.60114.6L591 I592 K593L591-K595 PolarHBondContact O-N 3.26Å; I592-K595 PolarHBondContact O-N 3.43Å; K593-K595 VanDerWaalsContact C-N 3.33Å; K593-K595 PolarHBondContact O-N 3.02Å
596T64.1Low77.8Confident87 Ų8762.4 Ų62.453%0.53431%0.305SS..  trans-73.9-26.9-176.939.80000113.5Q594Q594-T596 HydrophobicContact CB-CG2 4.12Å; Q594-T596 PolarHBondContact O-N 2.88Å; Q594-T596 VanDerWaalsContact O-N 3.16Å
597L71.7Confident78Confident61 Ų6157.9 Ų57.932%0.31929%0.291SS..SBendtrans-130.5155.2179.4-68.8173.7000112.1V602L597-V602 HydrophobicContact CB-CG2 3.73Å
598P78.4Confident78.1Confident78 Ų7861.6 Ų61.651%0.50631%0.308SS..  trans-60.1137.6174.6-18.930.8000111.6G600 E601 V602P598-G600 PolarHBondContact O-N 3.34Å; P598-G600 VanDerWaalsContact O-N 3.1Å; P598-E601 PolarHBondContact O-N 3.09Å; P598-V602 PolarHBondContact O-N 2.79Å
599F77.5Confident78.2Confident24 Ų2464.9 Ų64.911%0.10532%0.32CS..Hα-helixtrans-51.9-40-176.2179.6-108.9000113.3F588 I592 E601 V602 C603 Q639 N641 L644F588-F599 HydrophobicContact CZ-CE2 4.49Å; I592-F599 HydrophobicContact CD1-CD2 4.06Å; I592-F599 HydrophobicContact CD1-CE2 3.74Å; I592-F599 HydrophobicContact CG1-CD2 4.26Å; I592-F599 HydrophobicContact CG1-CE2 4.43Å; F599-E601 PolarHBondContact O-N 3.33Å; F599-V602 PolarHBondContact O-N 2.84Å; F599-C603 VanDerWaalsContact CE1-SG 3.59Å; F599-C603 WeakPolarHBondContact CZ-SG 3.46Å; F599-C603 PolarHBondContact O-N 3.36Å; F599-C603 PolarHBondContact O-SG 3.49Å; F599-Q639 HydrophobicContact CD2-CG 4.4Å; F599-Q639 VanDerWaalsContact CD2-OE1 3.27Å; F599-Q639 HydrophobicContact CE2-CG 4.32Å; F599-N641 HydrophobicContact CE1-CB 4.24Å; F599-L644 HydrophobicContact CD1-CD1 4.23Å; F599-L644 HydrophobicContact CE1-CD1 4.28Å
600G75.4Confident78.2Confident27 Ų2761.1 Ų61.128%0.27831%0.306SS..Hα-helixtrans-60.9-38.9178.600000114P598 C603 Q604P598-G600 PolarHBondContact O-N 3.34Å; P598-G600 VanDerWaalsContact O-N 3.1Å; G600-C603 PolarHBondContact O-N 3.1Å; G600-Q604 WeakPolarHBondContact O-CG 3.44Å; G600-Q604 PolarHBondContact O-N 3.43Å
601E77.9Confident78.2Confident97 Ų9763 Ų6345%0.45331%0.31SS..Hα-helixtrans-71.4-40.2179.6-67.8-174.5176.700111.5P598 F599 C603 Q604 Q605P598-E601 PolarHBondContact O-N 3.09Å; F599-E601 PolarHBondContact O-N 3.33Å; E601-C603 VanDerWaalsContact C-N 3.29Å; E601-C603 PolarHBondContact O-N 3.18Å; E601-Q604 PolarHBondContact O-N 2.91Å; E601-Q605 WeakPolarHBondContact O-CG 3.1Å; E601-Q605 PolarHBondContact O-N 2.78Å
602V81.2Confident78.3Confident2 Ų266.7 Ų66.71%0.01233%0.327CS..Hα-helixtrans-64.3-37.8176.6-1730000110.6V579 F588 L591 L597 P598 F599 Q605 L606V579-V602 HydrophobicContact CG2-CG1 4.46Å; F588-V602 HydrophobicContact CD2-CG1 3.58Å; F588-V602 HydrophobicContact CE2-CB 4.42Å; F588-V602 HydrophobicContact CE2-CG1 3.72Å; L591-V602 HydrophobicContact CB-CG1 4.03Å; L591-V602 HydrophobicContact CD1-CG1 4.22Å; L597-V602 HydrophobicContact CB-CG2 3.73Å; P598-V602 PolarHBondContact O-N 2.79Å; F599-V602 PolarHBondContact O-N 2.84Å; V602-Q605 PolarHBondContact O-N 2.91Å; V602-L606 PolarHBondContact O-N 2.83Å
603C80.1Confident78.3Confident4 Ų466.1 Ų66.13%0.02732%0.324CS..Hα-helixtrans-66.7-38174.9-64.50000112.7F599 G600 E601 L606 T607 F632F599-C603 VanDerWaalsContact CE1-SG 3.59Å; F599-C603 WeakPolarHBondContact CZ-SG 3.46Å; F599-C603 PolarHBondContact O-N 3.36Å; F599-C603 PolarHBondContact O-SG 3.49Å; G600-C603 PolarHBondContact O-N 3.1Å; E601-C603 VanDerWaalsContact C-N 3.29Å; E601-C603 PolarHBondContact O-N 3.18Å; C603-L606 PolarHBondContact O-N 2.78Å; C603-T607 VanDerWaalsContact O-CB 3.29Å; C603-T607 WeakPolarHBondContact O-CB 3.47Å; C603-T607 PolarHBondContact O-N 3.19Å; C603-T607 PolarHBondContact O-OG1 2.99Å; C603-F632 HydrophobicContact CB-CE2 3.82Å; C603-F632 HydrophobicContact CB-CZ 3.96Å; C603-F632 WeakPolarHBondContact SG-CE2 3.24Å
604Q81.6Confident78.2Confident138 Ų13858 Ų5865%0.64529%0.289SS*.Hα-helixtrans-66.5-40.7175-74.1176.86.400111.9G600 E601 T607 H608G600-Q604 WeakPolarHBondContact O-CG 3.44Å; G600-Q604 PolarHBondContact O-N 3.43Å; E601-Q604 PolarHBondContact O-N 2.91Å; Q604-T607 PolarHBondContact O-N 2.93Å; Q604-H608 WeakPolarHBondContact O-CB 3.43Å; Q604-H608 PolarHBondContact O-N 3.46Å
605Q82.1Confident78.2Confident67 Ų6757.6 Ų57.631%0.31330%0.296SS..Hα-helixtrans-61.4-45.3174.9-70.9-17923.100111.6V579 E601 V602 H608 R609V579-Q605 HydrophobicContact CG2-CB 4.32Å; E601-Q605 WeakPolarHBondContact O-CG 3.1Å; E601-Q605 PolarHBondContact O-N 2.78Å; V602-Q605 PolarHBondContact O-N 2.91Å; Q605-H608 PolarHBondContact O-N 2.9Å; Q605-R609 WeakPolarHBondContact O-CB 3.5Å; Q605-R609 PolarHBondContact O-N 3.46Å
606L83.3Confident78.3Confident0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-63.1-43.6176-175.168.4000111.4V579 P584 F588 V602 C603 H608 R609 I610 C628 F632V579-L606 HydrophobicContact CG1-CD1 3.97Å; P584-L606 HydrophobicContact CB-CD1 4.17Å; F588-L606 HydrophobicContact CB-CD1 4.21Å; F588-L606 HydrophobicContact CB-CD2 4.33Å; F588-L606 HydrophobicContact CD1-CD2 3.89Å; F588-L606 HydrophobicContact CD2-CB 3.81Å; F588-L606 HydrophobicContact CD2-CD1 4.46Å; F588-L606 HydrophobicContact CD2-CD2 3.64Å; F588-L606 HydrophobicContact CD2-CG 4.16Å; F588-L606 HydrophobicContact CE1-CD2 4Å; F588-L606 HydrophobicContact CE2-CB 4.05Å; F588-L606 HydrophobicContact CE2-CD2 3.78Å; F588-L606 HydrophobicContact CG-CD1 4.42Å; F588-L606 HydrophobicContact CG-CD2 3.7Å; F588-L606 HydrophobicContact CG-CG 4.43Å; F588-L606 HydrophobicContact CZ-CD2 3.95Å; V602-L606 PolarHBondContact O-N 2.83Å; C603-L606 PolarHBondContact O-N 2.78Å; L606-H608 PolarHBondContact O-N 2.84Å; L606-R609 PolarHBondContact O-N 3.27Å; L606-R609 VanDerWaalsContact O-N 3.16Å; L606-I610 HydrophobicContact CD2-CD1 4.36Å; L606-I610 HydrophobicContact CG-CD1 3.91Å; L606-I610 HydrophobicContact CG-CG1 4.43Å; L606-I610 VanDerWaalsContact O-CG1 3.3Å; L606-I610 WeakPolarHBondContact O-CG1 3.47Å; L606-I610 PolarHBondContact O-N 3.49Å; L606-C628 HydrophobicContact CD1-CB 4.2Å; L606-F632 HydrophobicContact CD2-CB 3.84Å; L606-F632 HydrophobicContact CD2-CG 4.2Å
607T83.5Confident78.4Confident24 Ų2456.8 Ų56.815%0.14729%0.29CS..Hα-helixtrans-58.9-48.1178.1-65.30000111.8C603 Q604 R609 I610 E611 Y648C603-T607 VanDerWaalsContact O-CB 3.29Å; C603-T607 WeakPolarHBondContact O-CB 3.47Å; C603-T607 PolarHBondContact O-N 3.19Å; C603-T607 PolarHBondContact O-OG1 2.99Å; Q604-T607 PolarHBondContact O-N 2.93Å; T607-R609 VanDerWaalsContact C-N 3.26Å; T607-R609 PolarHBondContact O-N 3.3Å; T607-I610 PolarHBondContact O-N 3.37Å; T607-E611 WeakPolarHBondContact O-CG 3.35Å; T607-E611 PolarHBondContact O-N 3.31Å; T607-Y648 HydrophobicContact CG2-CD2 3.48Å; T607-Y648 VanDerWaalsContact CG2-CD2 3.48Å; T607-Y648 HydrophobicContact CG2-CE2 3.2Å; T607-Y648 HydrophobicContact CG2-CG 4.36Å
608H83.4Confident78.6Confident106 Ų10657.4 Ų57.449%0.49129%0.293SS..Hα-helixtrans-60.8-38.9176.8-173.865.6000111.6Q604 Q605 L606 E611 Q612Q604-H608 WeakPolarHBondContact O-CB 3.43Å; Q604-H608 PolarHBondContact O-N 3.46Å; Q605-H608 PolarHBondContact O-N 2.9Å; L606-H608 PolarHBondContact O-N 2.84Å; H608-E611 PolarHBondContact O-N 3.44Å; H608-Q612 PolarHBondContact CD2-NE2 3.3Å; H608-Q612 PolarHBondContact NE2-NE2 3.24Å; H608-Q612 WeakPolarHBondContact O-CG 3.48Å; H608-Q612 PolarHBondContact O-N 3.03Å
609R81.8Confident78.3Confident68 Ų6858 Ų5826%0.25730%0.295SS..Hα-helixtrans-68.7-39.3177.8-163.570.9-161.8163.74.6112.3S581 P584 Q605 L606 T607 E611 Q612 L613S581-R609 VanDerWaalsContact CB-CZ 3.49Å; P584-R609 HydrophobicContact CB-CG 4.4Å; P584-R609 HydrophobicContact CG-CG 4.29Å; Q605-R609 WeakPolarHBondContact O-CB 3.5Å; Q605-R609 PolarHBondContact O-N 3.46Å; L606-R609 PolarHBondContact O-N 3.27Å; L606-R609 VanDerWaalsContact O-N 3.16Å; T607-R609 VanDerWaalsContact C-N 3.26Å; T607-R609 PolarHBondContact O-N 3.3Å; R609-E611 VanDerWaalsContact C-N 3.34Å; R609-Q612 PolarHBondContact O-N 2.76Å; R609-L613 VanDerWaalsContact O-CG 3.3Å; R609-L613 WeakPolarHBondContact O-CG 3.48Å; R609-L613 PolarHBondContact O-N 3.03Å
610I81.6Confident78.2Confident1 Ų163.7 Ų63.71%0.00532%0.322CS..Hα-helixtrans-61.4-44.5173.4-66.8162.3000109.8L606 T607 Q612 L613 L614 C628 I629 Y648L606-I610 HydrophobicContact CD2-CD1 4.36Å; L606-I610 HydrophobicContact CG-CD1 3.91Å; L606-I610 HydrophobicContact CG-CG1 4.43Å; L606-I610 VanDerWaalsContact O-CG1 3.3Å; L606-I610 WeakPolarHBondContact O-CG1 3.47Å; L606-I610 PolarHBondContact O-N 3.49Å; T607-I610 PolarHBondContact O-N 3.37Å; I610-Q612 VanDerWaalsContact C-N 3.33Å; I610-Q612 PolarHBondContact O-N 3.14Å; I610-L613 PolarHBondContact O-N 2.91Å; I610-L613 VanDerWaalsContact O-N 3.14Å; I610-L614 HydrophobicContact CG2-CD1 3.74Å; I610-L614 HydrophobicContact CG2-CG 4.09Å; I610-L614 WeakPolarHBondContact O-CB 3.21Å; I610-L614 VanDerWaalsContact O-CG 3.26Å; I610-L614 WeakPolarHBondContact O-CG 3.49Å; I610-L614 PolarHBondContact O-N 3.42Å; I610-C628 HydrophobicContact CD1-CB 3.97Å; I610-C628 HydrophobicContact CG1-CB 3.89Å; I610-I629 HydrophobicContact CD1-CG1 3.97Å; I610-I629 HydrophobicContact CG2-CD1 4.41Å; I610-Y648 HydrophobicContact CD1-CE1 4.37Å; I610-Y648 VanDerWaalsContact CG2-OH 3.23Å; I610-Y648 WeakPolarHBondContact CG2-OH 3.46Å
611E81Confident78.3Confident68 Ų6866.6 Ų66.632%0.31833%0.326SS..Hα-helixtrans-62.2-38.6177.4-71.3179.6175.300113T607 H608 R609 L614 S615T607-E611 WeakPolarHBondContact O-CG 3.35Å; T607-E611 PolarHBondContact O-N 3.31Å; H608-E611 PolarHBondContact O-N 3.44Å; R609-E611 VanDerWaalsContact C-N 3.34Å; E611-L614 PolarHBondContact O-N 3.29Å; E611-S615 PolarHBondContact O-N 3.39Å; E611-S615 VanDerWaalsContact O-N 3.13Å; E611-S615 PolarHBondContact O-OG 3.41Å
612Q79.3Confident78.4Confident78 Ų7862.9 Ų62.936%0.36431%0.307SS..Hα-helixtrans-64-41172.9-72.5179.2-10.500112H608 R609 I610 S615H608-Q612 PolarHBondContact CD2-NE2 3.3Å; H608-Q612 PolarHBondContact NE2-NE2 3.24Å; H608-Q612 WeakPolarHBondContact O-CG 3.48Å; H608-Q612 PolarHBondContact O-N 3.03Å; R609-Q612 PolarHBondContact O-N 2.76Å; I610-Q612 VanDerWaalsContact C-N 3.33Å; I610-Q612 PolarHBondContact O-N 3.14Å; Q612-S615 WeakPolarHBondContact O-CB 3.4Å; Q612-S615 PolarHBondContact O-N 3.46Å
613L78.3Confident78.2Confident8 Ų866.7 Ų66.74%0.04233%0.326CS..Hα-helixtrans-68-38.9177.3-70.2172000112P584 R609 I610 S615 N616 Y621 S625P584-L613 HydrophobicContact CG-CD1 4.25Å; R609-L613 VanDerWaalsContact O-CG 3.3Å; R609-L613 WeakPolarHBondContact O-CG 3.48Å; R609-L613 PolarHBondContact O-N 3.03Å; I610-L613 PolarHBondContact O-N 2.91Å; I610-L613 VanDerWaalsContact O-N 3.14Å; L613-S615 VanDerWaalsContact C-N 3.25Å; L613-S615 PolarHBondContact O-N 2.95Å; L613-N616 PolarHBondContact O-N 3.18Å; L613-Y621 HydrophobicContact CD2-CD1 3.74Å; L613-Y621 HydrophobicContact CD2-CE1 4.22Å; L613-Y621 HydrophobicContact CD2-CG 4.43Å; L613-S625 WeakPolarHBondContact CB-OG 3.39Å
614L76.3Confident78.2Confident7 Ų771.1 Ų71.14%0.03735%0.345CS..Hα-helixtrans-71.1-18.4177.6-68.3177.2000113.7I610 E611 N616 Y622 L652 F664I610-L614 HydrophobicContact CG2-CD1 3.74Å; I610-L614 HydrophobicContact CG2-CG 4.09Å; I610-L614 WeakPolarHBondContact O-CB 3.21Å; I610-L614 VanDerWaalsContact O-CG 3.26Å; I610-L614 WeakPolarHBondContact O-CG 3.49Å; I610-L614 PolarHBondContact O-N 3.42Å; E611-L614 PolarHBondContact O-N 3.29Å; L614-N616 PolarHBondContact O-N 3.08Å; L614-Y622 HydrophobicContact CD2-CD1 3.82Å; L614-Y622 HydrophobicContact CD2-CE1 4.06Å; L614-L652 HydrophobicContact CD1-CD1 3.8Å; L614-F664 HydrophobicContact CD1-CE1 4.23Å; L614-F664 HydrophobicContact CD1-CZ 4.37Å; L614-F664 HydrophobicContact CD2-CD1 4.08Å; L614-F664 HydrophobicContact CD2-CD2 3.85Å; L614-F664 HydrophobicContact CD2-CE1 3.83Å; L614-F664 HydrophobicContact CD2-CE2 3.56Å; L614-F664 HydrophobicContact CD2-CG 4.09Å; L614-F664 HydrophobicContact CD2-CZ 3.56Å
615S74.6Confident78.1Confident83 Ų8364.5 Ų64.558%0.5831%0.314SS*.Hα-helixtrans-69.5-24.2173.9-600000112.2E611 Q612 L613E611-S615 PolarHBondContact O-N 3.39Å; E611-S615 VanDerWaalsContact O-N 3.13Å; E611-S615 PolarHBondContact O-OG 3.41Å; Q612-S615 WeakPolarHBondContact O-CB 3.4Å; Q612-S615 PolarHBondContact O-N 3.46Å; L613-S615 VanDerWaalsContact C-N 3.25Å; L613-S615 PolarHBondContact O-N 2.95Å
616N71.9Confident78.1Confident91 Ų9161.5 Ų61.549%0.48730%0.3SS..SBendtrans-92.4111.6174.6-75.5-21.1000110.2L613 L614 N618 Y621L613-N616 PolarHBondContact O-N 3.18Å; L614-N616 PolarHBondContact O-N 3.08Å; N616-N618 PolarHBondContact O-N 3.26Å; N616-Y621 HydrophobicContact CB-CD2 3.78Å; N616-Y621 HydrophobicContact CB-CE2 4.17Å
617K65.9Low78Confident161 Ų16164.6 Ų64.670%0.732%0.319SS*.  trans-74.862.1-176.7-59.2-176.9-178.8-176.30113Y622K617-Y622 WeakPolarHBondContact CA-OH 3.3Å
618N75.1Confident78Confident73 Ų7363.6 Ų63.639%0.3931%0.313SS..  trans-128.1133.8177.4-175.9-20.3000110.6N616 H620 Y621 Y622N616-N618 PolarHBondContact O-N 3.26Å; N618-H620 PolarHBondContact O-N 2.77Å; N618-H620 PolarHBondContact OD1-N 2.83Å; N618-H620 VanDerWaalsContact OD1-N 3.07Å; N618-Y621 HydrophobicContact CB-CD2 3.79Å; N618-Y621 HydrophobicContact CB-CE2 4.34Å; N618-Y621 PolarHBondContact O-N 3.27Å; N618-Y622 PolarHBondContact O-N 3.4Å; N618-Y622 VanDerWaalsContact O-N 3.12Å
619T73.1Confident78Confident90 Ų9058.6 Ų58.655%0.55229%0.29SS*.Hα-helixtrans-54.4-35.1179.5-43.90000113.5Y621 Y622 M623T619-Y621 VanDerWaalsContact C-N 3.35Å; T619-Y621 PolarHBondContact O-N 2.94Å; T619-Y622 WeakPolarHBondContact O-CB 3.41Å; T619-Y622 PolarHBondContact O-N 3.25Å; T619-M623 WeakPolarHBondContact O-CG 3.33Å; T619-M623 PolarHBondContact O-N 3.02Å
620H75.3Confident78.1Confident144 Ų14458.1 Ų58.167%0.66729%0.29SS*.Hα-helixtrans-65.9-35.6176.6-80.2-76.9000113N618 K624N618-H620 PolarHBondContact O-N 2.77Å; N618-H620 PolarHBondContact OD1-N 2.83Å; N618-H620 VanDerWaalsContact OD1-N 3.07Å; H620-K624 PolarHBondContact O-N 3.06Å
621Y78.1Confident78.1Confident89 Ų8958 Ų5835%0.34929%0.29SS..Hα-helixtrans-76.1-31.1175.8-65.4-54.3000111.8L613 N616 N618 T619 K624 S625L613-Y621 HydrophobicContact CD2-CD1 3.74Å; L613-Y621 HydrophobicContact CD2-CE1 4.22Å; L613-Y621 HydrophobicContact CD2-CG 4.43Å; N616-Y621 HydrophobicContact CB-CD2 3.78Å; N616-Y621 HydrophobicContact CB-CE2 4.17Å; N618-Y621 HydrophobicContact CB-CD2 3.79Å; N618-Y621 HydrophobicContact CB-CE2 4.34Å; N618-Y621 PolarHBondContact O-N 3.27Å; T619-Y621 VanDerWaalsContact C-N 3.35Å; T619-Y621 PolarHBondContact O-N 2.94Å; Y621-K624 PolarHBondContact O-N 2.76Å; Y621-S625 WeakPolarHBondContact O-CB 3.43Å; Y621-S625 PolarHBondContact O-N 3.48Å; Y621-S625 PolarHBondContact O-OG 3.09Å; Y621-S625 VanDerWaalsContact O-OG 3.05Å
622Y78.6Confident78.2Confident18 Ų1854.9 Ų54.97%0.07128%0.275CS..Hα-helixtrans-60.5-46.3170.3-68.2-28.1000112.5L614 K617 N618 T619 S625 I626 L661 F664L614-Y622 HydrophobicContact CD2-CD1 3.82Å; L614-Y622 HydrophobicContact CD2-CE1 4.06Å; K617-Y622 WeakPolarHBondContact CA-OH 3.3Å; N618-Y622 PolarHBondContact O-N 3.4Å; N618-Y622 VanDerWaalsContact O-N 3.12Å; T619-Y622 WeakPolarHBondContact O-CB 3.41Å; T619-Y622 PolarHBondContact O-N 3.25Å; Y622-S625 PolarHBondContact O-N 3.47Å; Y622-I626 WeakPolarHBondContact O-CG1 3.49Å; Y622-I626 PolarHBondContact O-N 2.89Å; Y622-L661 HydrophobicContact CE1-CD2 3.86Å; Y622-L661 VanDerWaalsContact OH-CD2 3.27Å; Y622-L661 WeakPolarHBondContact OH-CD2 3.36Å; Y622-F664 HydrophobicContact CD1-CB 4.01Å; Y622-F664 AromaticContact CD1-CD2 3.42Å; Y622-F664 HydrophobicContact CD1-CD2 3.42Å; Y622-F664 VanDerWaalsContact CD1-CD2 3.42Å; Y622-F664 HydrophobicContact CD1-CE2 4.17Å; Y622-F664 AromaticContact CD1-CG 3.96Å; Y622-F664 HydrophobicContact CD1-CG 3.96Å; Y622-F664 HydrophobicContact CD2-CB 4.45Å; Y622-F664 HydrophobicContact CE1-CB 4.09Å; Y622-F664 HydrophobicContact CE1-CD2 4.24Å; Y622-F664 HydrophobicContact CE1-CG 4.34Å; Y622-F664 HydrophobicContact CG-CB 4.22Å; Y622-F664 AromaticContact CG-CD2 3.66Å; Y622-F664 HydrophobicContact CG-CD2 3.66Å; Y622-F664 HydrophobicContact CG-CG 4.36Å
623M77.3Confident78.4Confident83 Ų8354 Ų5441%0.40927%0.268SS..Hα-helixtrans-61.5-45.9175.8-67.6-63.8114.600111.9T619 S625 I626 T627 L667T619-M623 WeakPolarHBondContact O-CG 3.33Å; T619-M623 PolarHBondContact O-N 3.02Å; M623-S625 VanDerWaalsContact C-N 3.35Å; M623-S625 PolarHBondContact O-N 3.28Å; M623-I626 HydrophobicContact CE-CD1 3.89Å; M623-I626 PolarHBondContact O-N 3.49Å; M623-T627 PolarHBondContact O-N 2.97Å; M623-T627 PolarHBondContact O-OG1 2.89Å; M623-T627 VanDerWaalsContact O-OG1 3.11Å; M623-L667 HydrophobicContact CE-CB 4.16Å; M623-L667 HydrophobicContact CE-CD1 3.67Å; M623-L667 HydrophobicContact CE-CD2 3.89Å; M623-L667 HydrophobicContact CE-CG 4.12Å
624K80.2Confident78.6Confident96 Ų9657.9 Ų57.942%0.41729%0.287SS..Hα-helixtrans-60.8-41.9176-74.1-170.4175-1620112.5V582 H620 Y621 I626 T627 C628V582-K624 PolarHBondContact O-NZ 2.94Å; H620-K624 PolarHBondContact O-N 3.06Å; Y621-K624 PolarHBondContact O-N 2.76Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 PolarHBondContact O-N 3.33Å; K624-T627 PolarHBondContact O-N 2.92Å; K624-C628 PolarHBondContact O-N 2.88Å; K624-C628 PolarHBondContact O-SG 2.82Å
625S80.2Confident78.9Confident0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-63-39.2176.4-69.20000112.1L613 Y621 Y622 M623 C628 I629L613-S625 WeakPolarHBondContact CB-OG 3.39Å; Y621-S625 WeakPolarHBondContact O-CB 3.43Å; Y621-S625 PolarHBondContact O-N 3.48Å; Y621-S625 PolarHBondContact O-OG 3.09Å; Y621-S625 VanDerWaalsContact O-OG 3.05Å; Y622-S625 PolarHBondContact O-N 3.47Å; M623-S625 VanDerWaalsContact C-N 3.35Å; M623-S625 PolarHBondContact O-N 3.28Å; S625-C628 WeakPolarHBondContact O-CB 3.31Å; S625-C628 PolarHBondContact O-N 2.84Å; S625-I629 VanDerWaalsContact O-CG1 3.24Å; S625-I629 WeakPolarHBondContact O-CG1 3.47Å; S625-I629 PolarHBondContact O-N 2.91Å
626I81.1Confident79.2Confident4 Ų454.5 Ų54.52%0.02126%0.262CS..Hα-helixtrans-63.1-45.9175.3-68.4165.4000110.4Y622 M623 K624 C628 I629 Q630 F664 L667 D671Y622-I626 WeakPolarHBondContact O-CG1 3.49Å; Y622-I626 PolarHBondContact O-N 2.89Å; M623-I626 HydrophobicContact CE-CD1 3.89Å; M623-I626 PolarHBondContact O-N 3.49Å; K624-I626 VanDerWaalsContact C-N 3.34Å; K624-I626 PolarHBondContact O-N 3.33Å; I626-C628 VanDerWaalsContact C-N 3.28Å; I626-C628 PolarHBondContact O-N 2.92Å; I626-I629 PolarHBondContact O-N 3.07Å; I626-I629 VanDerWaalsContact O-N 3.09Å; I626-Q630 HydrophobicContact CG2-CG 4.43Å; I626-Q630 WeakPolarHBondContact O-CG 3.44Å; I626-Q630 PolarHBondContact O-N 2.92Å; I626-F664 HydrophobicContact CD1-CE2 4.23Å; I626-F664 HydrophobicContact CG1-CE2 3.75Å; I626-F664 HydrophobicContact CG1-CZ 4.23Å; I626-L667 HydrophobicContact CD1-CB 4.02Å; I626-D671 HydrophobicContact CG2-CB 4.38Å; I626-D671 WeakPolarHBondContact CG2-OD2 3.27Å
627T82.3Confident79.6Confident65 Ų6552.6 Ų52.640%0.39925%0.253SS..Hα-helixtrans-59.6-38.7176-49.80000112.1A585 M623 K624 Q630 A631A585-T627 HydrophobicContact CB-CG2 4.28Å; M623-T627 PolarHBondContact O-N 2.97Å; M623-T627 PolarHBondContact O-OG1 2.89Å; M623-T627 VanDerWaalsContact O-OG1 3.11Å; K624-T627 PolarHBondContact O-N 2.92Å; T627-Q630 PolarHBondContact O-N 3.37Å; T627-A631 WeakPolarHBondContact O-CB 3.42Å; T627-A631 PolarHBondContact O-N 2.88Å
628C83.2Confident80.3Confident2 Ų252.4 Ų52.41%0.01425%0.252CS..Hα-helixtrans-64.8-41.7174-680000112.4L606 I610 K624 S625 I626 A631 F632L606-C628 HydrophobicContact CD1-CB 4.2Å; I610-C628 HydrophobicContact CD1-CB 3.97Å; I610-C628 HydrophobicContact CG1-CB 3.89Å; K624-C628 PolarHBondContact O-N 2.88Å; K624-C628 PolarHBondContact O-SG 2.82Å; S625-C628 WeakPolarHBondContact O-CB 3.31Å; S625-C628 PolarHBondContact O-N 2.84Å; I626-C628 VanDerWaalsContact C-N 3.28Å; I626-C628 PolarHBondContact O-N 2.92Å; C628-A631 PolarHBondContact O-N 3.22Å; C628-F632 WeakPolarHBondContact O-CB 3.34Å; C628-F632 PolarHBondContact O-N 3.1Å
629I83.3Confident80.3Confident1 Ų153.3 Ų53.31%0.00525%0.254CS..Hα-helixtrans-67.5-38.5177.8-67165.6000110.8I610 S625 I626 F632 R633 F645 L649 L652 F664 L668 V673I610-I629 HydrophobicContact CD1-CG1 3.97Å; I610-I629 HydrophobicContact CG2-CD1 4.41Å; S625-I629 VanDerWaalsContact O-CG1 3.24Å; S625-I629 WeakPolarHBondContact O-CG1 3.47Å; S625-I629 PolarHBondContact O-N 2.91Å; I626-I629 PolarHBondContact O-N 3.07Å; I626-I629 VanDerWaalsContact O-N 3.09Å; I629-F632 WeakPolarHBondContact O-CB 3.43Å; I629-F632 PolarHBondContact O-N 2.9Å; I629-R633 PolarHBondContact O-N 2.85Å; I629-F645 HydrophobicContact CG2-CE2 3.96Å; I629-F645 HydrophobicContact CG2-CZ 4.23Å; I629-L649 HydrophobicContact CG2-CD1 4.37Å; I629-L652 HydrophobicContact CD1-CD2 4.09Å; I629-F664 HydrophobicContact CD1-CZ 4.08Å; I629-L668 HydrophobicContact CD1-CD1 4.04Å; I629-V673 HydrophobicContact CG2-CG1 4.04Å
630Q82.8Confident80.1Confident58 Ų5851 Ų5127%0.27125%0.247SC..Hα-helixtrans-64.1-46.8173.4-74171.5-19.900111.5I626 T627 F632 R633 E634 D671 V673I626-Q630 HydrophobicContact CG2-CG 4.43Å; I626-Q630 WeakPolarHBondContact O-CG 3.44Å; I626-Q630 PolarHBondContact O-N 2.92Å; T627-Q630 PolarHBondContact O-N 3.37Å; Q630-F632 VanDerWaalsContact C-N 3.25Å; Q630-F632 PolarHBondContact O-N 2.83Å; Q630-R633 WeakPolarHBondContact O-CB 3.4Å; Q630-R633 PolarHBondContact O-N 2.89Å; Q630-E634 WeakPolarHBondContact O-CG 3.25Å; Q630-E634 PolarHBondContact O-N 3.45Å; Q630-D671 PolarHBondContact NE2-OD2 3.38Å; Q630-V673 HydrophobicContact CG-CG2 3.99Å
631A82.8Confident80.1Confident0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-60-38174.300000111.7A585 T627 C628 Q635A585-A631 HydrophobicContact CB-CB 4.12Å; T627-A631 WeakPolarHBondContact O-CB 3.42Å; T627-A631 PolarHBondContact O-N 2.88Å; C628-A631 PolarHBondContact O-N 3.22Å; A631-Q635 VanDerWaalsContact O-CG 3.26Å; A631-Q635 WeakPolarHBondContact O-CG 3.2Å; A631-Q635 PolarHBondContact O-N 3.25Å; A631-Q635 VanDerWaalsContact O-N 3.15Å
632F83.5Confident79.9Confident2 Ų242.8 Ų42.81%0.00922%0.215CC..Hα-helixtrans-63.9-46.5174.9-173.6-156.5000111.3F588 C603 L606 C628 I629 Q630 Q635 S636 L644 F645 Y648F588-F632 HydrophobicContact CE1-CB 4.47Å; F588-F632 HydrophobicContact CE1-CD2 4.24Å; F588-F632 AromaticContact CZ-CD2 3.77Å; F588-F632 HydrophobicContact CZ-CD2 3.77Å; F588-F632 HydrophobicContact CZ-CE2 4.44Å; C603-F632 HydrophobicContact CB-CE2 3.82Å; C603-F632 HydrophobicContact CB-CZ 3.96Å; C603-F632 WeakPolarHBondContact SG-CE2 3.24Å; L606-F632 HydrophobicContact CD2-CB 3.84Å; L606-F632 HydrophobicContact CD2-CG 4.2Å; C628-F632 WeakPolarHBondContact O-CB 3.34Å; C628-F632 PolarHBondContact O-N 3.1Å; I629-F632 WeakPolarHBondContact O-CB 3.43Å; I629-F632 PolarHBondContact O-N 2.9Å; Q630-F632 VanDerWaalsContact C-N 3.25Å; Q630-F632 PolarHBondContact O-N 2.83Å; F632-Q635 PolarHBondContact O-N 3.13Å; F632-S636 WeakPolarHBondContact CE2-OG 3.49Å; F632-S636 WeakPolarHBondContact O-CB 3.41Å; F632-S636 PolarHBondContact O-N 2.94Å; F632-S636 PolarHBondContact O-OG 2.82Å; F632-L644 HydrophobicContact CZ-CB 4.38Å; F632-F645 HydrophobicContact CB-CD2 4.32Å; F632-F645 AromaticContact CD1-CD2 3.56Å; F632-F645 HydrophobicContact CD1-CD2 3.56Å; F632-F645 HydrophobicContact CD1-CE2 4.19Å; F632-F645 HydrophobicContact CD2-CD2 4.5Å; F632-F645 HydrophobicContact CE1-CB 4.29Å; F632-F645 AromaticContact CE1-CD2 3.89Å; F632-F645 HydrophobicContact CE1-CD2 3.89Å; F632-F645 AromaticContact CG-CD2 3.89Å; F632-F645 HydrophobicContact CG-CD2 3.89Å; F632-F645 HydrophobicContact CZ-CB 4.21Å; F632-F645 HydrophobicContact CZ-CD2 4.48Å; F632-Y648 HydrophobicContact CD1-CD1 4.38Å; F632-Y648 HydrophobicContact CE1-CD1 4.13Å
633R82.2Confident79.8Confident58 Ų5846.1 Ų46.122%0.21923%0.234CC..Hα-helixtrans-58.1-50.7176.2-169.1178-179.9-87.2-8.6111.7I629 Q630 Q635 S636 V637 F645 T674 I676 E680I629-R633 PolarHBondContact O-N 2.85Å; Q630-R633 WeakPolarHBondContact O-CB 3.4Å; Q630-R633 PolarHBondContact O-N 2.89Å; R633-Q635 VanDerWaalsContact C-N 3.32Å; R633-Q635 PolarHBondContact O-N 3.12Å; R633-S636 PolarHBondContact O-N 3.08Å; R633-V637 WeakPolarHBondContact O-CG2 3.42Å; R633-V637 PolarHBondContact O-N 3.1Å; R633-F645 HydrophobicContact CB-CD2 4.2Å; R633-F645 HydrophobicContact CB-CE1 4.19Å; R633-F645 HydrophobicContact CB-CE2 3.62Å; R633-F645 HydrophobicContact CB-CZ 3.62Å; R633-F645 HydrophobicContact CG-CD1 4.45Å; R633-F645 HydrophobicContact CG-CE1 3.89Å; R633-F645 HydrophobicContact CG-CE2 4.25Å; R633-F645 HydrophobicContact CG-CZ 3.79Å; R633-T674 PolarHBondContact NE-O 2.85Å; R633-I676 HydrophobicContact CG-CD1 4.14Å; R633-I676 HydrophobicContact CG-CG1 4Å; R633-E680 IonicContact CZ-OE1 3.03Å; R633-E680 VanDerWaalsContact NH2-CD 3.33Å; R633-E680 IonicContact NH2-OE1 3.95Å; R633-E680 PolarHBondContact NH2-OE1 3.1Å; R633-E680 IonicContact NH2-OE2 3.37Å; R633-E680 PolarHBondContact NH2-OE2 3.31Å
634E83.3Confident79.9Confident91 Ų9145.2 Ų45.243%0.42523%0.231SC..Hα-helixtrans-55.9-45.2179.9-74173.2172.200112.3R589 Q630 K638R589-E634 IonicContact CZ-OE2 3.47Å; R589-E634 IonicContact NE-OE2 2.85Å; R589-E634 IonicContact NH2-OE2 3.52Å; R589-E634 PolarHBondContact NH2-OE2 3.23Å; Q630-E634 WeakPolarHBondContact O-CG 3.25Å; Q630-E634 PolarHBondContact O-N 3.45Å; E634-K638 WeakPolarHBondContact O-CG 3.45Å; E634-K638 PolarHBondContact O-N 3.23Å; E634-K638 VanDerWaalsContact O-N 3.13Å
635Q82Confident79.9Confident19 Ų1940.7 Ų40.79%0.08921%0.211CC..Hα-helixtrans-76.1-34.2-177.4-63.5-62.3-2400112.4F588 R589 I592 A631 F632 R633 V637 K638 Q639F588-Q635 HydrophobicContact CD1-CG 4.35Å; F588-Q635 HydrophobicContact CE1-CB 3.92Å; F588-Q635 HydrophobicContact CE1-CG 3.94Å; R589-Q635 HydrophobicContact CG-CG 4.5Å; I592-Q635 HydrophobicContact CD1-CB 3.73Å; I592-Q635 HydrophobicContact CD1-CG 3.87Å; A631-Q635 VanDerWaalsContact O-CG 3.26Å; A631-Q635 WeakPolarHBondContact O-CG 3.2Å; A631-Q635 PolarHBondContact O-N 3.25Å; A631-Q635 VanDerWaalsContact O-N 3.15Å; F632-Q635 PolarHBondContact O-N 3.13Å; R633-Q635 VanDerWaalsContact C-N 3.32Å; R633-Q635 PolarHBondContact O-N 3.12Å; Q635-V637 VanDerWaalsContact C-N 3.33Å; Q635-V637 PolarHBondContact O-N 3.31Å; Q635-K638 PolarHBondContact O-N 3.08Å; Q635-Q639 PolarHBondContact O-N 3.09Å
636S80.5Confident80Confident0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-62.7-37.7172.2-78.70000112.6F632 R633 G640 N641F632-S636 WeakPolarHBondContact CE2-OG 3.49Å; F632-S636 WeakPolarHBondContact O-CB 3.41Å; F632-S636 PolarHBondContact O-N 2.94Å; F632-S636 PolarHBondContact O-OG 2.82Å; R633-S636 PolarHBondContact O-N 3.08Å; S636-G640 PolarHBondContact O-N 2.88Å; S636-G640 VanDerWaalsContact O-N 3.14Å; S636-N641 WeakPolarHBondContact CB-O 3.27Å; S636-N641 PolarHBondContact O-N 2.74Å; S636-N641 VanDerWaalsContact O-N 3.1Å
637V81.6Confident80.1Confident50 Ų5043.9 Ų43.930%0.30323%0.233SC..Hα-helixtrans-65.8-46.2172.6174.40000110.6R633 Q635 Q639 G640 I676 V681R633-V637 WeakPolarHBondContact O-CG2 3.42Å; R633-V637 PolarHBondContact O-N 3.1Å; Q635-V637 VanDerWaalsContact C-N 3.33Å; Q635-V637 PolarHBondContact O-N 3.31Å; V637-Q639 VanDerWaalsContact C-N 3.32Å; V637-Q639 PolarHBondContact O-N 3.14Å; V637-G640 PolarHBondContact O-N 3.37Å; V637-G640 VanDerWaalsContact O-N 3.13Å; V637-I676 HydrophobicContact CG2-CD1 3.83Å; V637-I676 HydrophobicContact CG2-CG1 4.1Å; V637-I676 HydrophobicContact CG2-CG2 4.12Å; V637-V681 HydrophobicContact CB-CG2 4.4Å; V637-V681 HydrophobicContact CG1-CG2 4.25Å; V637-V681 HydrophobicContact CG2-CG2 4.36Å
638K80.3Confident80Confident157 Ų15741.6 Ų41.668%0.68322%0.217SC*.Hα-helixtrans-62.8-33.2179.7-74.1177-179.1179.80114E634 Q635E634-K638 WeakPolarHBondContact O-CG 3.45Å; E634-K638 PolarHBondContact O-N 3.23Å; E634-K638 VanDerWaalsContact O-N 3.13Å; Q635-K638 PolarHBondContact O-N 3.08Å
639Q74Confident79.9Confident93 Ų9341.5 Ų41.544%0.43522%0.217SC..THydrogen-bonded Turntrans-89.6-3.9176.5-71-155.92200114.1F599 Q635 V637 N641F599-Q639 HydrophobicContact CD2-CG 4.4Å; F599-Q639 VanDerWaalsContact CD2-OE1 3.27Å; F599-Q639 HydrophobicContact CE2-CG 4.32Å; Q635-Q639 PolarHBondContact O-N 3.09Å; V637-Q639 VanDerWaalsContact C-N 3.32Å; V637-Q639 PolarHBondContact O-N 3.14Å; Q639-N641 VanDerWaalsContact C-N 3.26Å; Q639-N641 PolarHBondContact O-N 3.12Å
640G70.7Confident79.8Confident40 Ų4045 Ų4541%0.41223%0.233SC..THydrogen-bonded Turntrans68.120.8-179.500000114.6S636 V637 V681S636-G640 PolarHBondContact O-N 2.88Å; S636-G640 VanDerWaalsContact O-N 3.14Å; V637-G640 PolarHBondContact O-N 3.37Å; V637-G640 VanDerWaalsContact O-N 3.13Å; G640-V681 WeakPolarHBondContact O-CG1 3.49Å
641N74.1Confident79.7Confident60 Ų6045.5 Ų45.532%0.32124%0.243SC..  trans-117.689.9-178.7-168.2-14.9000110.8F599 S636 Q639F599-N641 HydrophobicContact CE1-CB 4.24Å; S636-N641 WeakPolarHBondContact CB-O 3.27Å; S636-N641 PolarHBondContact O-N 2.74Å; S636-N641 VanDerWaalsContact O-N 3.1Å; Q639-N641 VanDerWaalsContact C-N 3.26Å; Q639-N641 PolarHBondContact O-N 3.12Å
642A75.1Confident79.5Confident1 Ų145.8 Ų45.81%0.00824%0.244CC..  trans-85.8-19-174.900000114L644 F645 N646 I676 V681A642-L644 PolarHBondContact O-N 2.94Å; A642-F645 PolarHBondContact O-N 3.28Å; A642-N646 WeakPolarHBondContact O-CB 3.44Å; A642-N646 PolarHBondContact O-N 3.01Å; A642-I676 HydrophobicContact CB-CB 4.03Å; A642-I676 HydrophobicContact CB-CD1 4.37Å; A642-I676 HydrophobicContact CB-CG2 3.86Å; A642-V681 HydrophobicContact CB-CB 4.37Å; A642-V681 HydrophobicContact CB-CG1 4.31Å
643D75.4Confident79.1Confident89 Ų8948.9 Ų48.948%0.47626%0.258SS..Hα-helixtrans-67.8-39.3-170.2-68.9-28.7000112.8S647D643-S647 VanDerWaalsContact O-CB 3.24Å; D643-S647 WeakPolarHBondContact O-CB 3.4Å; D643-S647 PolarHBondContact O-N 3.43Å; D643-S647 PolarHBondContact O-OG 3.22Å
644L78.7Confident78.9Confident64 Ų6455.8 Ų55.834%0.33528%0.284SS..Hα-helixtrans-67-38.9178.9-67.2175.2000112.2F599 F632 A642 S647 Y648F599-L644 HydrophobicContact CD1-CD1 4.23Å; F599-L644 HydrophobicContact CE1-CD1 4.28Å; F632-L644 HydrophobicContact CZ-CB 4.38Å; A642-L644 PolarHBondContact O-N 2.94Å; L644-S647 PolarHBondContact O-OG 2.97Å; L644-Y648 WeakPolarHBondContact O-CB 3.28Å; L644-Y648 PolarHBondContact O-N 3.04Å
645F81.3Confident78.4Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-71.3-47.7176.8179.2-96.5000111.4I629 F632 R633 A642 S647 Y648 L649 V673 I676I629-F645 HydrophobicContact CG2-CE2 3.96Å; I629-F645 HydrophobicContact CG2-CZ 4.23Å; F632-F645 HydrophobicContact CB-CD2 4.32Å; F632-F645 AromaticContact CD1-CD2 3.56Å; F632-F645 HydrophobicContact CD1-CD2 3.56Å; F632-F645 HydrophobicContact CD1-CE2 4.19Å; F632-F645 HydrophobicContact CD2-CD2 4.5Å; F632-F645 HydrophobicContact CE1-CB 4.29Å; F632-F645 AromaticContact CE1-CD2 3.89Å; F632-F645 HydrophobicContact CE1-CD2 3.89Å; F632-F645 AromaticContact CG-CD2 3.89Å; F632-F645 HydrophobicContact CG-CD2 3.89Å; F632-F645 HydrophobicContact CZ-CB 4.21Å; F632-F645 HydrophobicContact CZ-CD2 4.48Å; R633-F645 HydrophobicContact CB-CD2 4.2Å; R633-F645 HydrophobicContact CB-CE1 4.19Å; R633-F645 HydrophobicContact CB-CE2 3.62Å; R633-F645 HydrophobicContact CB-CZ 3.62Å; R633-F645 HydrophobicContact CG-CD1 4.45Å; R633-F645 HydrophobicContact CG-CE1 3.89Å; R633-F645 HydrophobicContact CG-CE2 4.25Å; R633-F645 HydrophobicContact CG-CZ 3.79Å; A642-F645 PolarHBondContact O-N 3.28Å; F645-S647 PolarHBondContact O-N 2.9Å; F645-Y648 PolarHBondContact O-N 2.88Å; F645-L649 HydrophobicContact CE1-CD2 4.07Å; F645-L649 HydrophobicContact CZ-CD2 4.25Å; F645-L649 WeakPolarHBondContact O-CB 3.41Å; F645-L649 PolarHBondContact O-N 2.77Å; F645-V673 HydrophobicContact CZ-CG1 4.18Å; F645-I676 HydrophobicContact CB-CD1 4.07Å; F645-I676 HydrophobicContact CD1-CD1 3.64Å; F645-I676 HydrophobicContact CD1-CG1 3.76Å; F645-I676 HydrophobicContact CE1-CD1 4.37Å; F645-I676 HydrophobicContact CE1-CG1 4.14Å; F645-I676 HydrophobicContact CG-CD1 3.99Å
646N83.1Confident77.9Confident6 Ų652.2 Ų52.23%0.03227%0.27CS..Hα-helixtrans-66.2-39.1-176.9-74.7-14.9000112.3A642 Q650 L675 I676 S684A642-N646 WeakPolarHBondContact O-CB 3.44Å; A642-N646 PolarHBondContact O-N 3.01Å; N646-Q650 WeakPolarHBondContact O-CB 3.44Å; N646-Q650 VanDerWaalsContact O-CG 3.27Å; N646-Q650 WeakPolarHBondContact O-CG 3.36Å; N646-Q650 PolarHBondContact O-N 2.96Å; N646-Q650 VanDerWaalsContact O-N 3.11Å; N646-L675 HydrophobicContact CB-CD2 3.89Å; N646-L675 WeakPolarHBondContact OD1-CA 3.5Å; N646-L675 WeakPolarHBondContact OD1-CD2 3.37Å; N646-I676 PolarHBondContact ND2-O 2.86Å; N646-I676 PolarHBondContact OD1-N 3.45Å; N646-S684 PolarHBondContact ND2-OG 3.49Å
647S81.3Confident77.2Confident66 Ų6657.1 Ų57.146%0.46230%0.301SS..Hα-helixtrans-66.2-40.9174.657.80000112.4D643 L644 F645 S651D643-S647 VanDerWaalsContact O-CB 3.24Å; D643-S647 WeakPolarHBondContact O-CB 3.4Å; D643-S647 PolarHBondContact O-N 3.43Å; D643-S647 PolarHBondContact O-OG 3.22Å; L644-S647 PolarHBondContact O-OG 2.97Å; F645-S647 PolarHBondContact O-N 2.9Å; S647-S651 WeakPolarHBondContact O-CB 3.39Å; S647-S651 PolarHBondContact O-N 2.93Å
648Y81.9Confident76.5Confident16 Ų1659.4 Ų59.46%0.06332%0.32CS..Hα-helixtrans-64.4-46.8175.8177.9-115.4000112.1T607 I610 F632 L644 F645 Q650 S651 L652T607-Y648 HydrophobicContact CG2-CD2 3.48Å; T607-Y648 VanDerWaalsContact CG2-CD2 3.48Å; T607-Y648 HydrophobicContact CG2-CE2 3.2Å; T607-Y648 HydrophobicContact CG2-CG 4.36Å; I610-Y648 HydrophobicContact CD1-CE1 4.37Å; I610-Y648 VanDerWaalsContact CG2-OH 3.23Å; I610-Y648 WeakPolarHBondContact CG2-OH 3.46Å; F632-Y648 HydrophobicContact CD1-CD1 4.38Å; F632-Y648 HydrophobicContact CE1-CD1 4.13Å; L644-Y648 WeakPolarHBondContact O-CB 3.28Å; L644-Y648 PolarHBondContact O-N 3.04Å; F645-Y648 PolarHBondContact O-N 2.88Å; Y648-Q650 VanDerWaalsContact C-N 3.31Å; Y648-Q650 PolarHBondContact O-N 3.33Å; Y648-S651 WeakPolarHBondContact O-CB 3.4Å; Y648-S651 PolarHBondContact O-N 3.21Å; Y648-S651 VanDerWaalsContact O-N 3.15Å; Y648-L652 WeakPolarHBondContact O-CB 3.37Å; Y648-L652 PolarHBondContact O-N 3.44Å
649L80.3Confident75.8Confident0 Ų057.6 Ų57.60%031%0.309CS..Hα-helixtrans-64.6-35.4-179.3-161.270.7000112.1I629 F645 L652 K653 L675 F694I629-L649 HydrophobicContact CG2-CD1 4.37Å; F645-L649 HydrophobicContact CE1-CD2 4.07Å; F645-L649 HydrophobicContact CZ-CD2 4.25Å; F645-L649 WeakPolarHBondContact O-CB 3.41Å; F645-L649 PolarHBondContact O-N 2.77Å; L649-L652 HydrophobicContact CD1-CD2 4.49Å; L649-K653 PolarHBondContact O-N 3.4Å; L649-L675 HydrophobicContact CB-CD2 4.04Å; L649-L675 HydrophobicContact CD2-CD2 3.87Å; L649-L675 HydrophobicContact CD2-CG 4.28Å; L649-L675 HydrophobicContact CG-CD2 4.45Å; L649-F694 HydrophobicContact CD2-CD1 4.4Å; L649-F694 HydrophobicContact CD2-CE1 3.66Å; L649-F694 HydrophobicContact CD2-CZ 4.3Å; L649-F694 HydrophobicContact CG-CE1 3.87Å; L649-F694 HydrophobicContact CG-CZ 4.12Å
650Q80.4Confident75.4Confident76 Ų7656.5 Ų56.536%0.35532%0.316SS..Hα-helixtrans-68.2-40.8172.4-73.6178.94.900112.7N646 Y648 L652 K653 R654 L675 F694N646-Q650 WeakPolarHBondContact O-CB 3.44Å; N646-Q650 VanDerWaalsContact O-CG 3.27Å; N646-Q650 WeakPolarHBondContact O-CG 3.36Å; N646-Q650 PolarHBondContact O-N 2.96Å; N646-Q650 VanDerWaalsContact O-N 3.11Å; Y648-Q650 VanDerWaalsContact C-N 3.31Å; Y648-Q650 PolarHBondContact O-N 3.33Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; Q650-K653 PolarHBondContact O-N 2.59Å; Q650-R654 WeakPolarHBondContact O-CG 3.34Å; Q650-R654 PolarHBondContact O-N 3.18Å; Q650-R654 VanDerWaalsContact O-N 3.13Å; Q650-L675 HydrophobicContact CG-CD2 4.31Å; Q650-F694 HydrophobicContact CG-CE2 4.08Å
651S80.8Confident75.5Confident67 Ų6754.9 Ų54.947%0.46930%0.297SS..Hα-helixtrans-61.2-44.7173.5-173.30000111.1S647 Y648 K653 R654 S655S647-S651 WeakPolarHBondContact O-CB 3.39Å; S647-S651 PolarHBondContact O-N 2.93Å; Y648-S651 WeakPolarHBondContact O-CB 3.4Å; Y648-S651 PolarHBondContact O-N 3.21Å; Y648-S651 VanDerWaalsContact O-N 3.15Å; S651-K653 PolarHBondContact O-N 2.77Å; S651-R654 PolarHBondContact O-N 2.75Å; S651-S655 PolarHBondContact O-N 2.88Å; S651-S655 VanDerWaalsContact O-N 3.08Å
652L78.7Confident75.4Confident7 Ų758.4 Ų58.44%0.03731%0.312CS..Hα-helixtrans-59.1-48.2176.4-170.863.9000110.3L614 I629 Y648 L649 Q650 R654 S655 I656 F664L614-L652 HydrophobicContact CD1-CD1 3.8Å; I629-L652 HydrophobicContact CD1-CD2 4.09Å; Y648-L652 WeakPolarHBondContact O-CB 3.37Å; Y648-L652 PolarHBondContact O-N 3.44Å; L649-L652 HydrophobicContact CD1-CD2 4.49Å; Q650-L652 VanDerWaalsContact C-N 3.34Å; L652-R654 VanDerWaalsContact C-N 3.32Å; L652-R654 PolarHBondContact O-N 3.26Å; L652-S655 PolarHBondContact O-N 2.9Å; L652-S655 PolarHBondContact O-OG 3.47Å; L652-I656 WeakPolarHBondContact O-CG1 3.49Å; L652-I656 PolarHBondContact O-N 3.07Å; L652-F664 HydrophobicContact CD2-CE1 4.25Å
653K75.8Confident75.3Confident66 Ų6663.1 Ų63.129%0.28734%0.341SS..Hα-helixtrans-56.2-41.5176.9-170.5174.3-178.7178.90113.1L649 Q650 S651 S655 W665 F694L649-K653 PolarHBondContact O-N 3.4Å; Q650-K653 PolarHBondContact O-N 2.59Å; S651-K653 PolarHBondContact O-N 2.77Å; K653-S655 VanDerWaalsContact C-N 3.3Å; K653-S655 PolarHBondContact O-N 2.82Å; K653-W665 HydrophobicContact CB-CH2 3.79Å; K653-W665 HydrophobicContact CB-CZ2 4.46Å; K653-W665 HydrophobicContact CB-CZ3 4.15Å; K653-W665 HydrophobicContact CD-CH2 3.73Å; K653-W665 HydrophobicContact CD-CZ2 3.69Å; K653-W665 HydrophobicContact CG-CH2 3.63Å; K653-W665 HydrophobicContact CG-CZ2 3.79Å; K653-W665 HydrophobicContact CG-CZ3 4.31Å; K653-F694 HydrophobicContact CB-CE2 4.29Å; K653-F694 HydrophobicContact CB-CZ 3.9Å; K653-F694 HydrophobicContact CD-CD2 4.04Å; K653-F694 HydrophobicContact CD-CE1 4.28Å; K653-F694 HydrophobicContact CD-CE2 3.41Å; K653-F694 VanDerWaalsContact CD-CE2 3.41Å; K653-F694 HydrophobicContact CD-CZ 3.57Å; K653-F694 HydrophobicContact CG-CE2 4.46Å; K653-F694 HydrophobicContact CG-CZ 4.31Å; K653-F694 PolarHBondContact NZ-O 3.48Å
654R77.6Confident75.5Confident204 Ų20459 Ų5977%0.7732%0.318SS*.Hα-helixtrans-68.4-27.9176.8-70.5178.6-177168.53.4113.3Q650 S651 L652Q650-R654 WeakPolarHBondContact O-CG 3.34Å; Q650-R654 PolarHBondContact O-N 3.18Å; Q650-R654 VanDerWaalsContact O-N 3.13Å; S651-R654 PolarHBondContact O-N 2.75Å; L652-R654 VanDerWaalsContact C-N 3.32Å; L652-R654 PolarHBondContact O-N 3.26Å
655S73.1Confident75.3Confident23 Ų2357.3 Ų57.316%0.16131%0.307CS..Hα-helixtrans-85.3-6.9-177.474.30000114.8S651 L652 K653 S658 R659S651-S655 PolarHBondContact O-N 2.88Å; S651-S655 VanDerWaalsContact O-N 3.08Å; L652-S655 PolarHBondContact O-N 2.9Å; L652-S655 PolarHBondContact O-OG 3.47Å; K653-S655 VanDerWaalsContact C-N 3.3Å; K653-S655 PolarHBondContact O-N 2.82Å; S655-S658 PolarHBondContact O-OG 3.23Å; S655-S658 VanDerWaalsContact O-OG 3.06Å; S655-R659 WeakPolarHBondContact O-CB 3.32Å; S655-R659 WeakPolarHBondContact O-CG 3.48Å; S655-R659 PolarHBondContact O-N 3.31Å
656I71.1Confident75.1Confident12 Ų1261.9 Ų61.96%0.06233%0.332CS..Hα-helixtrans-70-46.4-176.3-69.1160.4000113.3L652 S658 R659 A660 L661 W665L652-I656 WeakPolarHBondContact O-CG1 3.49Å; L652-I656 PolarHBondContact O-N 3.07Å; I656-S658 VanDerWaalsContact C-N 3.29Å; I656-S658 PolarHBondContact O-N 3.33Å; I656-R659 PolarHBondContact O-N 3.09Å; I656-A660 PolarHBondContact O-N 3.35Å; I656-A660 VanDerWaalsContact O-N 3.12Å; I656-L661 HydrophobicContact CG2-CB 4.32Å; I656-L661 PolarHBondContact O-N 2.95Å; I656-W665 HydrophobicContact CD1-CB 3.99Å; I656-W665 HydrophobicContact CD1-CD2 3.41Å; I656-W665 VanDerWaalsContact CD1-CD2 3.41Å; I656-W665 HydrophobicContact CD1-CE3 3.03Å; I656-W665 HydrophobicContact CD1-CG 3.84Å; I656-W665 HydrophobicContact CD1-CH2 4.46Å; I656-W665 HydrophobicContact CD1-CZ3 3.62Å; I656-W665 HydrophobicContact CG1-CE3 4.44Å; I656-W665 HydrophobicContact CG2-CB 4.29Å
657P66.6Low74.7Confident102 Ų10263.5 Ų63.566%0.66234%0.341SS*.Hα-helixtrans-65.4-33-179.2-19.732.5000112.4
658S67.4Low74.4Confident99 Ų9960.4 Ų60.469%0.69232%0.319SS*.Hα-helixtrans-78-20.2-179.759.40000113.7S655 I656S655-S658 PolarHBondContact O-OG 3.23Å; S655-S658 VanDerWaalsContact O-OG 3.06Å; I656-S658 VanDerWaalsContact C-N 3.29Å; I656-S658 PolarHBondContact O-N 3.33Å
659R65.4Low74Confident118 Ų11861.9 Ų61.945%0.44533%0.33SS..Hα-helixtrans-109.31.2-177.5-64.9-175.6176.9-171.11.9114.1S655 I656 L661S655-R659 WeakPolarHBondContact O-CB 3.32Å; S655-R659 WeakPolarHBondContact O-CG 3.48Å; S655-R659 PolarHBondContact O-N 3.31Å; I656-R659 PolarHBondContact O-N 3.09Å; R659-L661 HydrophobicContact CB-CD1 3.86Å; R659-L661 HydrophobicContact CB-CG 3.97Å; R659-L661 PolarHBondContact O-N 3.13Å
660A65.1Low73.6Confident70 Ų7069.2 Ų69.258%0.57936%0.364SS*.THydrogen-bonded Turntrans53.147.6-176.800000113I656I656-A660 PolarHBondContact O-N 3.35Å; I656-A660 VanDerWaalsContact O-N 3.12Å
661L71.5Confident72.9Confident6 Ų669.8 Ų69.83%0.03137%0.369CS..  trans-10131.5-177.9-70.2172.4000113Y622 I656 R659 V663 F664 W665Y622-L661 HydrophobicContact CE1-CD2 3.86Å; Y622-L661 VanDerWaalsContact OH-CD2 3.27Å; Y622-L661 WeakPolarHBondContact OH-CD2 3.36Å; I656-L661 HydrophobicContact CG2-CB 4.32Å; I656-L661 PolarHBondContact O-N 2.95Å; R659-L661 HydrophobicContact CB-CD1 3.86Å; R659-L661 HydrophobicContact CB-CG 3.97Å; R659-L661 PolarHBondContact O-N 3.13Å; L661-V663 VanDerWaalsContact C-N 3.34Å; L661-V663 PolarHBondContact O-N 2.97Å; L661-F664 HydrophobicContact CB-CB 4.37Å; L661-F664 WeakPolarHBondContact O-CB 3.43Å; L661-F664 PolarHBondContact O-N 3.19Å; L661-F664 VanDerWaalsContact O-N 3.15Å; L661-W665 PolarHBondContact O-N 3.13Å; L661-W665 VanDerWaalsContact O-N 3.09Å
662E72.8Confident72.2Confident135 Ų13569.7 Ų69.763%0.63137%0.372SS*.Hα-helixtrans-60.2-42.3-175.1-62.5180171.900112.1F664 W665 D666E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 2.78Å; E662-W665 WeakPolarHBondContact O-CB 3.48Å; E662-W665 PolarHBondContact O-N 3.08Å; E662-W665 VanDerWaalsContact O-N 3.12Å; E662-D666 PolarHBondContact O-N 3.39Å
663V73.6Confident71.7Confident100 Ų10069.7 Ų69.761%0.60637%0.373SS*.Hα-helixtrans-62.5-35.8177.3-177.30000112.3L661 L667L661-V663 VanDerWaalsContact C-N 3.34Å; L661-V663 PolarHBondContact O-N 2.97Å; V663-L667 HydrophobicContact CG1-CD1 4.36Å; V663-L667 WeakPolarHBondContact O-CD1 3.35Å; V663-L667 VanDerWaalsContact O-CG 3.3Å; V663-L667 WeakPolarHBondContact O-CG 3.44Å; V663-L667 PolarHBondContact O-N 2.83Å
664F78.1Confident71.7Confident1 Ų168 Ų680%0.00437%0.368CS..Hα-helixtrans-70.8-37.4176.2172.8-102.4000111.5L614 Y622 I626 I629 L652 L661 E662 L667 L668L614-F664 HydrophobicContact CD1-CE1 4.23Å; L614-F664 HydrophobicContact CD1-CZ 4.37Å; L614-F664 HydrophobicContact CD2-CD1 4.08Å; L614-F664 HydrophobicContact CD2-CD2 3.85Å; L614-F664 HydrophobicContact CD2-CE1 3.83Å; L614-F664 HydrophobicContact CD2-CE2 3.56Å; L614-F664 HydrophobicContact CD2-CG 4.09Å; L614-F664 HydrophobicContact CD2-CZ 3.56Å; Y622-F664 HydrophobicContact CD1-CB 4.01Å; Y622-F664 AromaticContact CD1-CD2 3.42Å; Y622-F664 HydrophobicContact CD1-CD2 3.42Å; Y622-F664 VanDerWaalsContact CD1-CD2 3.42Å; Y622-F664 HydrophobicContact CD1-CE2 4.17Å; Y622-F664 AromaticContact CD1-CG 3.96Å; Y622-F664 HydrophobicContact CD1-CG 3.96Å; Y622-F664 HydrophobicContact CD2-CB 4.45Å; Y622-F664 HydrophobicContact CE1-CB 4.09Å; Y622-F664 HydrophobicContact CE1-CD2 4.24Å; Y622-F664 HydrophobicContact CE1-CG 4.34Å; Y622-F664 HydrophobicContact CG-CB 4.22Å; Y622-F664 AromaticContact CG-CD2 3.66Å; Y622-F664 HydrophobicContact CG-CD2 3.66Å; Y622-F664 HydrophobicContact CG-CG 4.36Å; I626-F664 HydrophobicContact CD1-CE2 4.23Å; I626-F664 HydrophobicContact CG1-CE2 3.75Å; I626-F664 HydrophobicContact CG1-CZ 4.23Å; I629-F664 HydrophobicContact CD1-CZ 4.08Å; L652-F664 HydrophobicContact CD2-CE1 4.25Å; L661-F664 HydrophobicContact CB-CB 4.37Å; L661-F664 WeakPolarHBondContact O-CB 3.43Å; L661-F664 PolarHBondContact O-N 3.19Å; L661-F664 VanDerWaalsContact O-N 3.15Å; E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 2.78Å; F664-L667 PolarHBondContact O-N 3.43Å; F664-L668 HydrophobicContact CE1-CD1 3.87Å; F664-L668 HydrophobicContact CZ-CD1 3.9Å; F664-L668 WeakPolarHBondContact O-CB 3.44Å; F664-L668 PolarHBondContact O-N 2.88Å
665W76.4Confident71.6Confident29 Ų2958.5 Ų58.511%0.1133%0.333CS..Hα-helixtrans-65.9-43.1176.4-171.1-108.1000111.9K653 I656 L661 E662 L667 L668 V669 F694K653-W665 HydrophobicContact CB-CH2 3.79Å; K653-W665 HydrophobicContact CB-CZ2 4.46Å; K653-W665 HydrophobicContact CB-CZ3 4.15Å; K653-W665 HydrophobicContact CD-CH2 3.73Å; K653-W665 HydrophobicContact CD-CZ2 3.69Å; K653-W665 HydrophobicContact CG-CH2 3.63Å; K653-W665 HydrophobicContact CG-CZ2 3.79Å; K653-W665 HydrophobicContact CG-CZ3 4.31Å; I656-W665 HydrophobicContact CD1-CB 3.99Å; I656-W665 HydrophobicContact CD1-CD2 3.41Å; I656-W665 VanDerWaalsContact CD1-CD2 3.41Å; I656-W665 HydrophobicContact CD1-CE3 3.03Å; I656-W665 HydrophobicContact CD1-CG 3.84Å; I656-W665 HydrophobicContact CD1-CH2 4.46Å; I656-W665 HydrophobicContact CD1-CZ3 3.62Å; I656-W665 HydrophobicContact CG1-CE3 4.44Å; I656-W665 HydrophobicContact CG2-CB 4.29Å; L661-W665 PolarHBondContact O-N 3.13Å; L661-W665 VanDerWaalsContact O-N 3.09Å; E662-W665 WeakPolarHBondContact O-CB 3.48Å; E662-W665 PolarHBondContact O-N 3.08Å; E662-W665 VanDerWaalsContact O-N 3.12Å; W665-L667 VanDerWaalsContact C-N 3.29Å; W665-L667 PolarHBondContact O-N 3.02Å; W665-L668 HydrophobicContact CZ3-CD2 4.34Å; W665-L668 PolarHBondContact O-N 2.93Å; W665-L668 VanDerWaalsContact O-N 3.11Å; W665-V669 HydrophobicContact CD2-CG2 4.49Å; W665-V669 HydrophobicContact CG-CG2 4.46Å; W665-V669 VanDerWaalsContact O-CG2 3.27Å; W665-V669 WeakPolarHBondContact O-CG2 3.24Å; W665-V669 PolarHBondContact O-N 3.3Å; W665-F694 AromaticContact CH2-CE1 3.72Å; W665-F694 HydrophobicContact CH2-CE1 3.72Å; W665-F694 HydrophobicContact CH2-CZ 4.02Å; W665-F694 HydrophobicContact CZ2-CE1 4.45Å
666D75.9Confident71.7Confident97 Ų9757.4 Ų57.452%0.51933%0.325SS..Hα-helixtrans-61.1-39.4177-69.8-19.6000111.7E662 V669 Q670E662-D666 PolarHBondContact O-N 3.39Å; D666-V669 PolarHBondContact O-N 3.26Å; D666-Q670 WeakPolarHBondContact O-CG 3.4Å; D666-Q670 PolarHBondContact O-N 3.13Å
667L75.2Confident71.8Confident40 Ų4057.3 Ų57.321%0.20933%0.325CS..Hα-helixtrans-66.3-37.4174.3-71165.4000112.4M623 I626 V663 F664 W665 Q670 D671M623-L667 HydrophobicContact CE-CB 4.16Å; M623-L667 HydrophobicContact CE-CD1 3.67Å; M623-L667 HydrophobicContact CE-CD2 3.89Å; M623-L667 HydrophobicContact CE-CG 4.12Å; I626-L667 HydrophobicContact CD1-CB 4.02Å; V663-L667 HydrophobicContact CG1-CD1 4.36Å; V663-L667 WeakPolarHBondContact O-CD1 3.35Å; V663-L667 VanDerWaalsContact O-CG 3.3Å; V663-L667 WeakPolarHBondContact O-CG 3.44Å; V663-L667 PolarHBondContact O-N 2.83Å; F664-L667 PolarHBondContact O-N 3.43Å; W665-L667 VanDerWaalsContact C-N 3.29Å; W665-L667 PolarHBondContact O-N 3.02Å; L667-Q670 PolarHBondContact O-N 3.47Å; L667-D671 PolarHBondContact O-N 3.35Å; L667-D671 VanDerWaalsContact O-N 3.16Å
668L74.3Confident71.9Confident0 Ų058 Ų580%032%0.318CS..Hα-helixtrans-71.2-33.4177.3-163.2150.7000112I629 F664 W665 D671 A672 V673I629-L668 HydrophobicContact CD1-CD1 4.04Å; F664-L668 HydrophobicContact CE1-CD1 3.87Å; F664-L668 HydrophobicContact CZ-CD1 3.9Å; F664-L668 WeakPolarHBondContact O-CB 3.44Å; F664-L668 PolarHBondContact O-N 2.88Å; W665-L668 HydrophobicContact CZ3-CD2 4.34Å; W665-L668 PolarHBondContact O-N 2.93Å; W665-L668 VanDerWaalsContact O-N 3.11Å; L668-D671 PolarHBondContact O-N 2.78Å; L668-A672 PolarHBondContact O-N 2.91Å; L668-V673 HydrophobicContact CD2-CB 3.91Å; L668-V673 HydrophobicContact CG-CB 4.39Å
669V74.8Confident71.7Confident48 Ų4858.7 Ų58.729%0.29131%0.313SS..Hα-helixtrans-68.9-39.5172.2173.30000111W665 D666 D671 A672 L695W665-V669 HydrophobicContact CD2-CG2 4.49Å; W665-V669 HydrophobicContact CG-CG2 4.46Å; W665-V669 VanDerWaalsContact O-CG2 3.27Å; W665-V669 WeakPolarHBondContact O-CG2 3.24Å; W665-V669 PolarHBondContact O-N 3.3Å; D666-V669 PolarHBondContact O-N 3.26Å; V669-D671 VanDerWaalsContact C-N 3.3Å; V669-D671 PolarHBondContact O-N 3.02Å; V669-A672 PolarHBondContact O-N 2.97Å; V669-A672 VanDerWaalsContact O-N 3.13Å; V669-L695 HydrophobicContact CG2-CD2 4.06Å
670Q72Confident71.7Confident154 Ų15457.4 Ų57.472%0.7231%0.313SS*.Hα-helixtrans-60.7-37.8173.9-78.11783.400112.5D666 L667 A672D666-Q670 WeakPolarHBondContact O-CG 3.4Å; D666-Q670 PolarHBondContact O-N 3.13Å; L667-Q670 PolarHBondContact O-N 3.47Å; Q670-A672 PolarHBondContact O-N 3.36Å
671D65.7Low72Confident87 Ų8754.5 Ų54.547%0.46529%0.288SS..THydrogen-bonded Turntrans-82.87177.7-119.423.3000113.8I626 Q630 L667 L668 V669 V673I626-D671 HydrophobicContact CG2-CB 4.38Å; I626-D671 WeakPolarHBondContact CG2-OD2 3.27Å; Q630-D671 PolarHBondContact NE2-OD2 3.38Å; L667-D671 PolarHBondContact O-N 3.35Å; L667-D671 VanDerWaalsContact O-N 3.16Å; L668-D671 PolarHBondContact O-N 2.78Å; V669-D671 VanDerWaalsContact C-N 3.3Å; V669-D671 PolarHBondContact O-N 3.02Å; D671-V673 VanDerWaalsContact C-N 3.29Å; D671-V673 HydrophobicContact CB-CG2 4.42Å; D671-V673 PolarHBondContact O-N 2.77Å
672A64.5Low71.4Confident65 Ų6563.7 Ų63.754%0.53733%0.33SS..THydrogen-bonded Turntrans52.934.817300000115.6L668 V669 Q670 T674L668-A672 PolarHBondContact O-N 2.91Å; V669-A672 PolarHBondContact O-N 2.97Å; V669-A672 VanDerWaalsContact O-N 3.13Å; Q670-A672 PolarHBondContact O-N 3.36Å; A672-T674 PolarHBondContact O-N 3.24Å; A672-T674 VanDerWaalsContact O-N 3.09Å
673V69.9Low70.7Confident7 Ų759.6 Ų59.64%0.04233%0.325CS..  trans-78.597.1179.6-176.30000110.6I629 Q630 F645 L668 D671I629-V673 HydrophobicContact CG2-CG1 4.04Å; Q630-V673 HydrophobicContact CG-CG2 3.99Å; F645-V673 HydrophobicContact CZ-CG1 4.18Å; L668-V673 HydrophobicContact CD2-CB 3.91Å; L668-V673 HydrophobicContact CG-CB 4.39Å; D671-V673 VanDerWaalsContact C-N 3.29Å; D671-V673 HydrophobicContact CB-CG2 4.42Å; D671-V673 PolarHBondContact O-N 2.77Å
674T74.1Confident70.4Confident32 Ų3255 Ų5520%0.19630%0.297CS..PPolyproline II helixtrans-95.1164.4178.161.30000113.4R633 A672 L695R633-T674 PolarHBondContact NE-O 2.85Å; A672-T674 PolarHBondContact O-N 3.24Å; A672-T674 VanDerWaalsContact O-N 3.09Å; T674-L695 HydrophobicContact CG2-CD1 3.46Å; T674-L695 VanDerWaalsContact CG2-CD1 3.46Å; T674-L695 HydrophobicContact CG2-CG 3.99Å
675L75.4Confident69.7Low4 Ų458.4 Ų58.42%0.02133%0.325CS..PPolyproline II helixtrans-55.5148.9166.3-65.9168.9000110.9N646 L649 Q650 V686 A691 F694N646-L675 HydrophobicContact CB-CD2 3.89Å; N646-L675 WeakPolarHBondContact OD1-CA 3.5Å; N646-L675 WeakPolarHBondContact OD1-CD2 3.37Å; L649-L675 HydrophobicContact CB-CD2 4.04Å; L649-L675 HydrophobicContact CD2-CD2 3.87Å; L649-L675 HydrophobicContact CD2-CG 4.28Å; L649-L675 HydrophobicContact CG-CD2 4.45Å; Q650-L675 HydrophobicContact CG-CD2 4.31Å; L675-V686 HydrophobicContact CB-CG1 4.4Å; L675-V686 HydrophobicContact CD1-CG1 4.21Å; L675-A691 HydrophobicContact CB-CB 4.17Å; L675-A691 WeakPolarHBondContact O-CB 3.31Å; L675-F694 HydrophobicContact CD1-CB 4.06Å; L675-F694 HydrophobicContact CD1-CD1 4.26Å; L675-F694 HydrophobicContact CD1-CD2 3.61Å; L675-F694 HydrophobicContact CD1-CE2 4.05Å; L675-F694 HydrophobicContact CD1-CG 3.72Å; L675-F694 HydrophobicContact CD2-CZ 4.46Å; L675-F694 HydrophobicContact CG-CB 4.49Å; L675-F694 HydrophobicContact CG-CD1 4.02Å; L675-F694 HydrophobicContact CG-CD2 4.21Å; L675-F694 HydrophobicContact CG-CE1 4.24Å; L675-F694 HydrophobicContact CG-CE2 4.43Å; L675-F694 HydrophobicContact CG-CG 3.99Å; L675-F694 HydrophobicContact CG-CZ 4.44Å
676I76.2Confident69.3Low0 Ų057.8 Ų57.80%033%0.325CS..PPolyproline II helixtrans-77.3122.1177.1-61.1169.4000108.5R633 V637 A642 F645 N646 E680 V681 S684R633-I676 HydrophobicContact CG-CD1 4.14Å; R633-I676 HydrophobicContact CG-CG1 4Å; V637-I676 HydrophobicContact CG2-CD1 3.83Å; V637-I676 HydrophobicContact CG2-CG1 4.1Å; V637-I676 HydrophobicContact CG2-CG2 4.12Å; A642-I676 HydrophobicContact CB-CB 4.03Å; A642-I676 HydrophobicContact CB-CD1 4.37Å; A642-I676 HydrophobicContact CB-CG2 3.86Å; F645-I676 HydrophobicContact CB-CD1 4.07Å; F645-I676 HydrophobicContact CD1-CD1 3.64Å; F645-I676 HydrophobicContact CD1-CG1 3.76Å; F645-I676 HydrophobicContact CE1-CD1 4.37Å; F645-I676 HydrophobicContact CE1-CG1 4.14Å; F645-I676 HydrophobicContact CG-CD1 3.99Å; N646-I676 PolarHBondContact ND2-O 2.86Å; N646-I676 PolarHBondContact OD1-N 3.45Å; I676-E680 HydrophobicContact CG2-CB 4.17Å; I676-V681 HydrophobicContact CG2-CB 4.11Å; I676-V681 HydrophobicContact CG2-CG2 3.74Å; I676-S684 PolarHBondContact O-OG 3.14Å
677S73.6Confident69.1Low9 Ų954.7 Ų54.76%0.06331%0.311CS..PPolyproline II helixtrans-91.7164.4-174.274.80000113.4D679 E680 V681 V686S677-D679 PolarHBondContact O-N 2.83Å; S677-D679 PolarHBondContact OG-N 2.77Å; S677-E680 PolarHBondContact N-OE2 2.98Å; S677-E680 PolarHBondContact O-N 3.29Å; S677-V681 PolarHBondContact O-N 2.98Å; S677-V686 WeakPolarHBondContact CA-O 3.34Å
678K68Low68.7Low117 Ų11758.9 Ų58.951%0.50933%0.327SS..THydrogen-bonded Turntrans-55.5-26.7172.4-80.4176.2-178.1175.40114.8E680 S684 A685 V686K678-E680 VanDerWaalsContact C-N 3.3Å; K678-S684 WeakPolarHBondContact CE-O 3.28Å; K678-S684 WeakPolarHBondContact CG-O 3.43Å; K678-A685 VanDerWaalsContact CE-C 3.5Å; K678-A685 VanDerWaalsContact CE-O 3.31Å; K678-A685 WeakPolarHBondContact CE-O 3.21Å; K678-A685 PolarHBondContact NZ-O 3.17Å; K678-V686 WeakPolarHBondContact CG-O 3.26Å; K678-V686 PolarHBondContact N-O 3.5Å
679D64.1Low68.1Low113 Ų11362.2 Ų62.260%0.60435%0.35SS*.THydrogen-bonded Turntrans-71.9-26176.7-76.27.4000112S677 K688S677-D679 PolarHBondContact O-N 2.83Å; S677-D679 PolarHBondContact OG-N 2.77Å; D679-K688 WeakPolarHBondContact OD2-CD 3.49Å; D679-K688 IonicContact OD2-NZ 2.73Å; D679-K688 PolarHBondContact OD2-NZ 3.28Å
680E64.7Low67.8Low92 Ų9264.7 Ų64.743%0.4336%0.359SS..THydrogen-bonded Turntrans-95.3-34.1-176.2-65.7176.8146.100112.2R633 I676 S677 K678R633-E680 IonicContact CZ-OE1 3.03Å; R633-E680 VanDerWaalsContact NH2-CD 3.33Å; R633-E680 IonicContact NH2-OE1 3.95Å; R633-E680 PolarHBondContact NH2-OE1 3.1Å; R633-E680 IonicContact NH2-OE2 3.37Å; R633-E680 PolarHBondContact NH2-OE2 3.31Å; I676-E680 HydrophobicContact CG2-CB 4.17Å; S677-E680 PolarHBondContact N-OE2 2.98Å; S677-E680 PolarHBondContact O-N 3.29Å; K678-E680 VanDerWaalsContact C-N 3.3Å
681V70.4Confident67.3Low9 Ų957.6 Ų57.66%0.05533%0.326CS..  trans-142.6119.9179178.30000109V637 G640 A642 I676 S677 G683 S684V637-V681 HydrophobicContact CB-CG2 4.4Å; V637-V681 HydrophobicContact CG1-CG2 4.25Å; V637-V681 HydrophobicContact CG2-CG2 4.36Å; G640-V681 WeakPolarHBondContact O-CG1 3.49Å; A642-V681 HydrophobicContact CB-CB 4.37Å; A642-V681 HydrophobicContact CB-CG1 4.31Å; I676-V681 HydrophobicContact CG2-CB 4.11Å; I676-V681 HydrophobicContact CG2-CG2 3.74Å; S677-V681 PolarHBondContact O-N 2.98Å; V681-G683 PolarHBondContact O-N 3.25Å; V681-G683 VanDerWaalsContact O-N 3.09Å; V681-S684 WeakPolarHBondContact O-CB 3.5Å; V681-S684 PolarHBondContact O-N 3.12Å
682E58.9Low67.2Low198 Ų19857 Ų5793%0.92533%0.329SS*.THydrogen-bonded Turntrans-58.8-25.6-178-67-172.1162.200113.3S684E682-S684 VanDerWaalsContact C-N 3.35Å; E682-S684 PolarHBondContact O-N 3.04Å
683G59.6Low67.2Low50 Ų5060 Ų6052%0.51533%0.332SS..THydrogen-bonded Turntrans-79.7-1.2176.700000116V681V681-G683 PolarHBondContact O-N 3.25Å; V681-G683 VanDerWaalsContact O-N 3.09Å
684S66.8Low67.1Low4 Ų460.7 Ų60.73%0.02834%0.335CS..  trans-79.6139.8-178.4-176.20000112.8N646 I676 K678 V681 E682 V686N646-S684 PolarHBondContact ND2-OG 3.49Å; I676-S684 PolarHBondContact O-OG 3.14Å; K678-S684 WeakPolarHBondContact CE-O 3.28Å; K678-S684 WeakPolarHBondContact CG-O 3.43Å; V681-S684 WeakPolarHBondContact O-CB 3.5Å; V681-S684 PolarHBondContact O-N 3.12Å; E682-S684 VanDerWaalsContact C-N 3.35Å; E682-S684 PolarHBondContact O-N 3.04Å; S684-V686 VanDerWaalsContact C-N 3.34Å; S684-V686 PolarHBondContact OG-N 3.22Å
685A62.8Low66.5Low72 Ų7261 Ų6160%0.59534%0.335SS*.  trans-78.8-14.7173.100000114K678K678-A685 VanDerWaalsContact CE-C 3.5Å; K678-A685 VanDerWaalsContact CE-O 3.31Å; K678-A685 WeakPolarHBondContact CE-O 3.21Å; K678-A685 PolarHBondContact NZ-O 3.17Å
686V68.8Low65.7Low15 Ų1566.8 Ų66.89%0.09137%0.365CS..  trans-98.3131.6-165.1-172.80000112.3L675 S677 K678 S684 E690 A691L675-V686 HydrophobicContact CB-CG1 4.4Å; L675-V686 HydrophobicContact CD1-CG1 4.21Å; S677-V686 WeakPolarHBondContact CA-O 3.34Å; K678-V686 WeakPolarHBondContact CG-O 3.26Å; K678-V686 PolarHBondContact N-O 3.5Å; S684-V686 VanDerWaalsContact C-N 3.34Å; S684-V686 PolarHBondContact OG-N 3.22Å; V686-E690 HydrophobicContact CG1-CB 3.68Å; V686-A691 HydrophobicContact CG1-CB 4.38Å
687S70.9Confident64.3Low33 Ų3371.1 Ų71.123%0.23140%0.401CS..  trans-77.4157.2175.366.10000112.6S689 E690 A691S687-S689 PolarHBondContact OG-OG 2.97Å; S687-S689 PolarHBondContact O-N 3Å; S687-S689 VanDerWaalsContact OG-OG 3.1Å; S687-E690 WeakPolarHBondContact CB-OE2 3.35Å; S687-E690 PolarHBondContact N-OE2 3.36Å; S687-E690 PolarHBondContact O-N 3.36Å; S687-E690 VanDerWaalsContact O-N 3.08Å; S687-E690 WeakPolarHBondContact OG-CB 3.35Å; S687-E690 WeakPolarHBondContact OG-CG 3.4Å; S687-E690 PolarHBondContact OG-N 2.96Å; S687-E690 PolarHBondContact OG-OE2 3.4Å; S687-A691 PolarHBondContact O-N 3.29Å
688K67.3Low62.8Low128 Ų12880 Ų8056%0.55744%0.441SS*.Hα-helixtrans-60-33.6178.3-168.7177.9-158153.10113.3D679 S692D679-K688 WeakPolarHBondContact OD2-CD 3.49Å; D679-K688 IonicContact OD2-NZ 2.73Å; D679-K688 PolarHBondContact OD2-NZ 3.28Å; K688-S692 PolarHBondContact O-N 3.49Å; K688-S692 PolarHBondContact O-OG 3.3Å
689S62.1Low61Low69 Ų6983.5 Ų83.548%0.48346%0.46SS..Hα-helixtrans-66.7-42.1173.344.90000112S687 S692 Q693S687-S689 PolarHBondContact OG-OG 2.97Å; S687-S689 PolarHBondContact O-N 3Å; S687-S689 VanDerWaalsContact OG-OG 3.1Å; S689-S692 PolarHBondContact O-N 3.26Å; S689-Q693 PolarHBondContact O-N 2.84Å; S689-Q693 VanDerWaalsContact O-CG 3.23Å; S689-Q693 WeakPolarHBondContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CB 3.44Å
690E67.3Low59.4Low101 Ų10188.3 Ų88.347%0.47248%0.475SS..Hα-helixtrans-69.3-38.1178.2-73.2162.3160.700112.2V686 S687 S692 Q693 F694V686-E690 HydrophobicContact CG1-CB 3.68Å; S687-E690 WeakPolarHBondContact CB-OE2 3.35Å; S687-E690 PolarHBondContact N-OE2 3.36Å; S687-E690 PolarHBondContact O-N 3.36Å; S687-E690 VanDerWaalsContact O-N 3.08Å; S687-E690 WeakPolarHBondContact OG-CB 3.35Å; S687-E690 WeakPolarHBondContact OG-CG 3.4Å; S687-E690 PolarHBondContact OG-N 2.96Å; S687-E690 PolarHBondContact OG-OE2 3.4Å; E690-S692 VanDerWaalsContact C-N 3.32Å; E690-S692 PolarHBondContact O-N 3.02Å; E690-Q693 PolarHBondContact O-N 3.32Å; E690-F694 WeakPolarHBondContact O-CB 3.48Å; E690-F694 PolarHBondContact O-N 3Å
691A63.2Low57.7Low4 Ų493.8 Ų93.83%0.03350%0.497CS..Hα-helixtrans-64.5-35.9175.600000112.6L675 V686 S687 F694L675-A691 HydrophobicContact CB-CB 4.17Å; L675-A691 WeakPolarHBondContact O-CB 3.31Å; V686-A691 HydrophobicContact CG1-CB 4.38Å; S687-A691 PolarHBondContact O-N 3.29Å; A691-F694 WeakPolarHBondContact O-CB 3.38Å
692S61.8Low55.9Low76 Ų76102.5 Ų102.553%0.53154%0.538SS..Hα-helixtrans-78.4-36.5178-51.90000112.2K688 S689 E690 F694K688-S692 PolarHBondContact O-N 3.49Å; K688-S692 PolarHBondContact O-OG 3.3Å; S689-S692 PolarHBondContact O-N 3.26Å; E690-S692 VanDerWaalsContact C-N 3.32Å; E690-S692 PolarHBondContact O-N 3.02Å; S692-F694 VanDerWaalsContact C-N 3.27Å; S692-F694 PolarHBondContact O-N 3.49Å
693Q65Low54.6Low126 Ų126102.5 Ų102.559%0.58954%0.538SS*.Hα-helixtrans-71.5-21.1175.4-74.7174.3-2.400112.8S689 E690 L695 L696S689-Q693 PolarHBondContact O-N 2.84Å; S689-Q693 VanDerWaalsContact O-CG 3.23Å; S689-Q693 WeakPolarHBondContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CB 3.44Å; E690-Q693 PolarHBondContact O-N 3.32Å; Q693-L695 PolarHBondContact O-N 3.14Å; Q693-L695 VanDerWaalsContact O-N 3.17Å; Q693-L696 PolarHBondContact O-N 3.49Å; Q693-L696 VanDerWaalsContact O-N 3.13Å
694F67.5Low53.1Low23 Ų23105 Ų10510%0.10155%0.553CS.*THydrogen-bonded Turntrans-59.5-25.7179.4-176.7-104.6000113.9L649 Q650 K653 W665 L675 E690 A691 S692L649-F694 HydrophobicContact CD2-CD1 4.4Å; L649-F694 HydrophobicContact CD2-CE1 3.66Å; L649-F694 HydrophobicContact CD2-CZ 4.3Å; L649-F694 HydrophobicContact CG-CE1 3.87Å; L649-F694 HydrophobicContact CG-CZ 4.12Å; Q650-F694 HydrophobicContact CG-CE2 4.08Å; K653-F694 HydrophobicContact CB-CE2 4.29Å; K653-F694 HydrophobicContact CB-CZ 3.9Å; K653-F694 HydrophobicContact CD-CD2 4.04Å; K653-F694 HydrophobicContact CD-CE1 4.28Å; K653-F694 HydrophobicContact CD-CE2 3.41Å; K653-F694 VanDerWaalsContact CD-CE2 3.41Å; K653-F694 HydrophobicContact CD-CZ 3.57Å; K653-F694 HydrophobicContact CG-CE2 4.46Å; K653-F694 HydrophobicContact CG-CZ 4.31Å; K653-F694 PolarHBondContact NZ-O 3.48Å; W665-F694 AromaticContact CH2-CE1 3.72Å; W665-F694 HydrophobicContact CH2-CE1 3.72Å; W665-F694 HydrophobicContact CH2-CZ 4.02Å; W665-F694 HydrophobicContact CZ2-CE1 4.45Å; L675-F694 HydrophobicContact CD1-CB 4.06Å; L675-F694 HydrophobicContact CD1-CD1 4.26Å; L675-F694 HydrophobicContact CD1-CD2 3.61Å; L675-F694 HydrophobicContact CD1-CE2 4.05Å; L675-F694 HydrophobicContact CD1-CG 3.72Å; L675-F694 HydrophobicContact CD2-CZ 4.46Å; L675-F694 HydrophobicContact CG-CB 4.49Å; L675-F694 HydrophobicContact CG-CD1 4.02Å; L675-F694 HydrophobicContact CG-CD2 4.21Å; L675-F694 HydrophobicContact CG-CE1 4.24Å; L675-F694 HydrophobicContact CG-CE2 4.43Å; L675-F694 HydrophobicContact CG-CG 3.99Å; L675-F694 HydrophobicContact CG-CZ 4.44Å; E690-F694 WeakPolarHBondContact O-CB 3.48Å; E690-F694 PolarHBondContact O-N 3Å; A691-F694 WeakPolarHBondContact O-CB 3.38Å; S692-F694 VanDerWaalsContact C-N 3.27Å; S692-F694 PolarHBondContact O-N 3.49Å
695L61.5Low51.5Low37 Ų37109.3 Ų109.319%0.19459%0.589CS.*THydrogen-bonded Turntrans-85.2-12.2179.5-65.7176000114V669 T674 Q693V669-L695 HydrophobicContact CG2-CD2 4.06Å; T674-L695 HydrophobicContact CG2-CD1 3.46Å; T674-L695 VanDerWaalsContact CG2-CD1 3.46Å; T674-L695 HydrophobicContact CG2-CG 3.99Å; Q693-L695 PolarHBondContact O-N 3.14Å; Q693-L695 VanDerWaalsContact O-N 3.17Å
696L58.5Low50Low127 Ų127112 Ų11267%0.66560%0.6SS**SBendtrans-81.9127.3177.5-65.2169.1000110Q693Q693-L696 PolarHBondContact O-N 3.49Å; Q693-L696 VanDerWaalsContact O-N 3.13Å
697A48.4Very low48.2Very low91 Ų91120 Ų12075%0.75264%0.637SS**PPolyproline II helixtrans-73.6134.8175.400000110.5
698E41.4Very low46.5Very low194 Ų194124 Ų12491%0.90766%0.662SS**PPolyproline II helixtrans-68.5132.3170.8-74.9-176.215200110.2
699E30.3Very low44.8Very low192 Ų192124.8 Ų124.890%0.89768%0.677SS**PPolyproline II helixtrans-61.2133172-74.8-179.7150.400111.2K701E699-K701 PolarHBondContact O-N 3.31Å
700K31Very low43.3Very low214 Ų214130.2 Ų130.293%0.9370%0.695SS**PPolyproline II helixtrans-52.4122172.1-89.9175.9172.1172.40111.2
701K29Very low41.5Very low206 Ų206132 Ų13290%0.89671%0.707SS**PPolyproline II helixtrans-88.2117.2155.3-88-177.8176.6174.80109.8E699 Q703E699-K701 PolarHBondContact O-N 3.31Å; K701-Q703 PolarHBondContact O-N 2.95Å
702E32.7Very low39.9Very low193 Ų193137.5 Ų137.590%0.90274%0.741SS**PPolyproline II helixtrans-51.3127.4162.4-93.4171.2148.700111.3
703Q29.9Very low38.3Very low198 Ų198136.9 Ų136.993%0.92575%0.747SS**  trans-138.9142.3152.4-90.6-177.45.300110.3K701K701-Q703 PolarHBondContact O-N 2.95Å
704A28.3Very low36.8Very low101 Ų101138.3 Ų138.384%0.83576%0.759SS**  trans-74.2163.2-156.100000115.9
705A33.9Very low35.1Very low95 Ų95143 Ų14379%0.78579%0.789SS**  trans-54.3160.2177.500000115.1
706P31.9Very low33.9Very low128 Ų128149.1 Ų149.183%0.83182%0.822SS**  -123.2159.612434-24.4000113.3
707E29.6Very low33Very low184 Ų184150.9 Ų150.986%0.8683%0.832SS**  trans-62.2167-167.9-77.5-179.7171.600117.3
708P35.9Very low32.4Very low116 Ų116154.4 Ų154.475%0.75384%0.837SS**  trans-86.7151.8-162.935.5-31.6000112.5
709V32.4Very low32.1Very low145 Ų145153.2 Ų153.288%0.87984%0.836SS**  trans-118.2107.6159.6-169.20000106.9
710E29.8Very low32.5Very low184 Ų184151.8 Ų151.886%0.8684%0.835SS**  trans-64.4133.9158.9-70.3-179.2142.900108.8
711D29Very low32.9Very low137 Ų137150.6 Ų150.673%0.73384%0.835SS**  trans-164.8128130-140-19.4000111.8
712T30.3Very low33.2Very low120 Ų120153 Ų15374%0.73685%0.852SS**  trans35.3119.6150.646.10000119.4
713G28.3Very low33.2Very low64 Ų64151 Ų15166%0.6685%0.85SS**  cis81.285.134.200000111.1
714D33.1Very low33.4Very low156 Ų156148.5 Ų148.583%0.83485%0.846SS**  trans-161.198.8151.8-96.6-20.1000108.9
715V32.7Very low33.6Very low122 Ų122151.2 Ų151.274%0.73985%0.846SS**  38.7105.5101-86.80000115.7
716D35.7Very low33.6Very low164 Ų164154.5 Ų154.588%0.87785%0.85SS**  -17486.2128.2-97.9-17.9000110.5
717D40.3Very low33.7Very low164 Ų164156.1 Ų156.188%0.87785%0.851SS**  trans-134.289.3159.1-109.2-16.5000104.7
718L35.8Very low34Very low166 Ų166154.3 Ų154.387%0.86985%0.851SS**  trans-178.467.5167.4-105.6168000113.1
719L33.6Very low33.9Very low168 Ų168157 Ų15788%0.8886%0.858SS**  trans-15585.7153.9-80.3-173.9000110.1
720D38.5Very low34Very low163 Ų163157.9 Ų157.987%0.87286%0.856SS**  trans-157.773145.6-99-16000109.2
721M39.2Very low34.3Very low188 Ų188155.8 Ų155.893%0.92686%0.856SS**  trans-134.283.6149.6-80.5-16374.600107.4
722M35.6Very low34.8Very low257 Ų257157.5 Ų157.5100%1.26687%0.867SS**  trans-168.10140.8-104-168.9-57.200110.8

Retrieved 722 of 722 residues in 174.5 ms (Link to these results)

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