A0A087XYG7_POEFO Loading...

GDP-mannose pyrophosphorylase Aa

Regulatory subunit of the GMPPA-GMPPB mannose-1-phosphate guanylyltransferase complex; reduces the catalytic activity of GMPPB when part of the complex. Mediates allosteric feedback inhibition of GMPPB catalytic activity upon binding GDP-alpha-D-mannose. Together with GMPPB regulates GDP-alpha-D-mannose levels. One of two paralogs (gmppaa and gmppab) that may have redundant functions.

AlphaFold DB , UniProt , Accession A0A087XYG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M92.4Very high88.9Confident61 Ų6118.3 Ų18.330%0.312%0.116SC..  0157061.4175.6-96.900110.3K3 K51 P107 E108M1-K3 HydrophobicContact CE-CD 4.48Å; M1-K3 HydrophobicContact CE-CG 4.12Å; M1-K51 HydrophobicContact CB-CG 4.06Å; M1-K51 HydrophobicContact CE-CB 4.01Å; M1-K51 HydrophobicContact CE-CG 4.4Å; M1-P107 CarbonylContact O-C 3.44Å; M1-P107 VanDerWaalsContact O-CA 3.25Å; M1-P107 WeakPolarHBondContact O-CA 3.4Å; M1-E108 PolarHBondContact N-OE1 3.31Å; M1-E108 PolarHBondContact O-N 3.4Å
2L97.3Very high86.4Confident9 Ų929.8 Ų29.85%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-114156.8178.8-58.8176.9000112.3V47 P48 N49 L50 K51 A109 L127L2-V47 HydrophobicContact CD1-CG1 3.88Å; L2-P48 WeakPolarHBondContact CD1-O 3.22Å; L2-N49 PolarHBondContact N-O 3.31Å; L2-L50 HydrophobicContact CB-CB 4.34Å; L2-L50 WeakPolarHBondContact O-CA 3.31Å; L2-K51 PolarHBondContact O-N 2.93Å; L2-A109 WeakPolarHBondContact CA-O 3.12Å; L2-A109 HydrophobicContact CD2-CB 3.81Å; L2-A109 WeakPolarHBondContact CD2-O 3.35Å; L2-L127 HydrophobicContact CD1-CD1 4.12Å; L2-L127 HydrophobicContact CD1-CD2 3.59Å; L2-L127 HydrophobicContact CD2-CD1 4.46Å
3K98.4Very high84.3Confident1 Ų139.9 Ų39.90%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-131.4168.6170.6-62.3-165.2-172.7-171.60111.8M1 E52 Q101 I102 S104 P107 A109 F110 F111M1-K3 HydrophobicContact CE-CD 4.48Å; M1-K3 HydrophobicContact CE-CG 4.12Å; K3-E52 CarbonylContact C-O 3.57Å; K3-E52 VanDerWaalsContact CA-O 3.3Å; K3-E52 WeakPolarHBondContact CA-O 3.38Å; K3-E52 HydrophobicContact CD-CB 4.17Å; K3-E52 VanDerWaalsContact CE-OE2 3.22Å; K3-E52 WeakPolarHBondContact CE-OE2 3.23Å; K3-E52 HydrophobicContact CG-CB 4.18Å; K3-E52 IonicContact NZ-OE2 3.47Å; K3-E52 PolarHBondContact NZ-OE2 2.91Å; K3-Q101 PolarHBondContact NZ-O 3.41Å; K3-I102 VanDerWaalsContact CD-O 3.26Å; K3-I102 WeakPolarHBondContact CD-O 3.27Å; K3-I102 WeakPolarHBondContact CE-O 3.29Å; K3-I102 PolarHBondContact NZ-O 3.45Å; K3-S104 WeakPolarHBondContact CE-O 3.49Å; K3-S104 PolarHBondContact NZ-O 3.06Å; K3-P107 HydrophobicContact CG-CB 4.18Å; K3-A109 PolarHBondContact N-O 2.72Å; K3-F110 HydrophobicContact CB-CB 4.04Å; K3-F110 CarbonylContact O-C 3.59Å; K3-F110 WeakPolarHBondContact O-CA 3.46Å; K3-F111 PolarHBondContact O-N 3.38Å
4A98.6Very high82.7Confident0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-128.8147.6164.500000110.9C44 L50 E52 I53 L54 F111 L113A4-C44 HydrophobicContact CB-CB 4.36Å; A4-C44 VanDerWaalsContact CB-SG 3.59Å; A4-L50 HydrophobicContact CB-CD1 3.94Å; A4-E52 PolarHBondContact N-O 2.92Å; A4-I53 HydrophobicContact CB-CG1 4.43Å; A4-I53 CarbonylContact O-C 3.54Å; A4-I53 WeakPolarHBondContact O-CA 3.43Å; A4-L54 PolarHBondContact O-N 2.87Å; A4-F111 CarbonylContact C-O 3.55Å; A4-F111 WeakPolarHBondContact CA-O 3.49Å; A4-F111 HydrophobicContact CB-CB 4.18Å; A4-L113 HydrophobicContact CB-CD1 4.27Å
5V98.6Very high82Confident0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-118.1123.4170.9176.90000107.3L7 L54 I56 I102 F110 F111 V112 L113V5-L7 HydrophobicContact CG1-CD2 3.9Å; V5-L54 CarbonylContact C-O 3.58Å; V5-L54 VanDerWaalsContact CA-O 3.23Å; V5-L54 WeakPolarHBondContact CA-O 3.17Å; V5-L54 HydrophobicContact CG2-CB 4.41Å; V5-I56 HydrophobicContact CG1-CD1 3.48Å; V5-I56 VanDerWaalsContact CG1-CD1 3.48Å; V5-I56 HydrophobicContact CG1-CG1 3.91Å; V5-I102 HydrophobicContact CG2-CD1 3.88Å; V5-I102 HydrophobicContact CG2-CG1 3.89Å; V5-I102 HydrophobicContact CG2-CG2 4.4Å; V5-F110 HydrophobicContact CG2-CD2 4.06Å; V5-F111 PolarHBondContact N-O 2.94Å; V5-V112 HydrophobicContact CB-CG2 4.27Å; V5-V112 CarbonylContact O-C 3.52Å; V5-V112 VanDerWaalsContact O-CA 3.27Å; V5-V112 WeakPolarHBondContact O-CA 3.3Å; V5-L113 PolarHBondContact O-N 3.49Å
6I98Very high81.7Confident0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-110.8115.4175-55169.7000108I8 L37 H40 I41 I53 L54 L55 I56 L113 A115I6-I8 HydrophobicContact CG2-CG2 4.02Å; I6-I8 PolarHBondContact O-N 3.49Å; I6-L37 HydrophobicContact CG2-CD2 3.76Å; I6-H40 HydrophobicContact CD1-CB 3.68Å; I6-H40 HydrophobicContact CG1-CB 4.47Å; I6-I41 HydrophobicContact CD1-CG1 4.31Å; I6-I53 HydrophobicContact CD1-CG2 3.67Å; I6-I53 HydrophobicContact CG1-CG2 4.13Å; I6-L54 PolarHBondContact N-O 2.93Å; I6-L55 HydrophobicContact CB-CD2 3.64Å; I6-L55 HydrophobicContact CD1-CD2 3.76Å; I6-L55 HydrophobicContact CG1-CD2 4.11Å; I6-L55 HydrophobicContact CG2-CD2 4.32Å; I6-L55 WeakPolarHBondContact O-CA 3.45Å; I6-I56 PolarHBondContact O-N 3.07Å; I6-L113 CarbonylContact C-O 3.44Å; I6-L113 WeakPolarHBondContact CA-O 3.43Å; I6-L113 HydrophobicContact CG1-CB 4.46Å; I6-L113 HydrophobicContact CG1-CD1 4.34Å; I6-A115 HydrophobicContact CG2-CB 3.97Å
7L95.7Very high81.8Confident22 Ų2242.1 Ų42.112%0.11521%0.214CC..EExtended strand (participates in β ladder)trans-80.5101.9177.8-56.6-176.7000108.8V5 I56 T91 I95 V112 L113 A115V5-L7 HydrophobicContact CG1-CD2 3.9Å; L7-I56 HydrophobicContact CD2-CB 4.09Å; L7-T91 WeakPolarHBondContact CD1-O 3.25Å; L7-I95 HydrophobicContact CD1-CD1 4.3Å; L7-I95 HydrophobicContact CD2-CD1 4.36Å; L7-I95 HydrophobicContact CD2-CG1 4Å; L7-V112 HydrophobicContact CD1-CG1 3.92Å; L7-V112 HydrophobicContact CG-CG1 4.03Å; L7-L113 PolarHBondContact N-O 3.1Å; L7-A115 VanDerWaalsContact O-CB 3.23Å; L7-A115 WeakPolarHBondContact O-CB 3.16Å; L7-A115 PolarHBondContact O-N 3.01Å
8I91.9Very high82Confident11 Ų1146.3 Ų46.36%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-90.8-10.9-179.960.2162.5000112.5I6 P27 L37 L55 I56 Y59 Y82 A115I6-I8 HydrophobicContact CG2-CG2 4.02Å; I6-I8 PolarHBondContact O-N 3.49Å; I8-P27 HydrophobicContact CB-CB 4.28Å; I8-P27 HydrophobicContact CB-CG 3.84Å; I8-P27 HydrophobicContact CG2-CB 4.19Å; I8-P27 HydrophobicContact CG2-CG 4.3Å; I8-L37 HydrophobicContact CG2-CD1 4.09Å; I8-L37 HydrophobicContact CG2-CD2 3.47Å; I8-L37 VanDerWaalsContact CG2-CD2 3.47Å; I8-L37 HydrophobicContact CG2-CG 4.24Å; I8-L55 HydrophobicContact CD1-CB 4.31Å; I8-I56 VanDerWaalsContact CG1-O 3.26Å; I8-I56 WeakPolarHBondContact CG1-O 3.44Å; I8-I56 PolarHBondContact N-O 3.17Å; I8-Y59 HydrophobicContact CD1-CD2 4.07Å; I8-Y59 HydrophobicContact CG1-CD2 4.45Å; I8-Y59 WeakPolarHBondContact O-CE2 3.32Å; I8-Y82 HydrophobicContact CD1-CD2 4.02Å; I8-Y82 HydrophobicContact CD1-CE2 3.66Å; I8-Y82 HydrophobicContact CG1-CE2 4.31Å; I8-A115 HydrophobicContact CB-CB 4.24Å; I8-A115 HydrophobicContact CG2-CB 3.74Å
9G81.2Confident82.4Confident24 Ų2444 Ų4425%0.24722%0.216CC..EExtended strand (participates in β ladder)trans62.9-154.8175.600000112.7G57 F58 Y59G9-G57 CarbonylContact O-C 3.55Å; G9-G57 VanDerWaalsContact O-CA 3.22Å; G9-G57 WeakPolarHBondContact O-CA 3.28Å; G9-F58 PolarHBondContact O-N 2.83Å; G9-Y59 WeakPolarHBondContact O-CD2 3.46Å; G9-Y59 VanDerWaalsContact O-CE2 3.27Å; G9-Y59 WeakPolarHBondContact O-CE2 3.42Å
10G66.9Low82.8Confident9 Ų941.9 Ų41.99%0.09321%0.205CC..  trans-129170.2-178.300000114.4Q12 K13G10-Q12 PolarHBondContact O-N 2.92Å; G10-K13 WeakPolarHBondContact O-CB 3.22Å; G10-K13 PolarHBondContact O-N 3.46Å
11P58.8Low82.9Confident64 Ų6441 Ų4142%0.41620%0.204SC..G310 helixtrans-58.1-24.1-176.219.8-31.8000114.2K13 G14 F58 Y59P11-K13 PolarHBondContact O-N 2.96Å; P11-G14 PolarHBondContact O-N 2.65Å; P11-F58 WeakPolarHBondContact CD-O 3.09Å; P11-Y59 HydrophobicContact CB-CE1 4.35Å
12Q59.2Low82.6Confident156 Ų15643.2 Ų43.273%0.72921%0.212SC*.G310 helixtrans-66.4-19.4174-62.7-1754.100113.5G10 G14G10-Q12 PolarHBondContact O-N 2.92Å; Q12-G14 VanDerWaalsContact C-N 3.33Å
13K59.2Low82Confident162 Ų16246.8 Ų46.870%0.70423%0.228SC*.G310 helixtrans-84.3-4.8176.7-63.8-77.5-174.71700113.4G10 P11G10-K13 WeakPolarHBondContact O-CB 3.22Å; G10-K13 PolarHBondContact O-N 3.46Å; P11-K13 PolarHBondContact O-N 2.96Å
14G61.3Low81.5Confident2 Ų247.4 Ų47.42%0.02123%0.232CC..G310 helixtrans-101.64.1-178.800000115.3P11 Q12 R16 F17 R18 S21P11-G14 PolarHBondContact O-N 2.65Å; Q12-G14 VanDerWaalsContact C-N 3.33Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 2.93Å; G14-F17 WeakPolarHBondContact O-CA 3.21Å; G14-F17 WeakPolarHBondContact O-CB 3.26Å; G14-F17 PolarHBondContact O-N 3.45Å; G14-R18 PolarHBondContact O-N 2.7Å; G14-S21 PolarHBondContact O-OG 2.77Å
15T72.7Confident81Confident72 Ų7248.2 Ų48.244%0.44224%0.237SC..G310 helixtrans-58.9-37-171.352.20000114.3F17 R18T15-F17 PolarHBondContact O-N 2.72Å; T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 WeakPolarHBondContact O-CG 3.25Å; T15-R18 PolarHBondContact O-N 2.73Å
16R76.6Confident80.7Confident123 Ų12348.9 Ų48.946%0.46424%0.24SC..G310 helixtrans-75.8-4.3175-67.8-174.4-70.3177.5-5114.3G14 K251G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 2.93Å; R16-K251 WeakPolarHBondContact CB-O 3.48Å
17F84Confident80.4Confident0 Ų049.2 Ų49.20%024%0.242CC..G310 helixtrans-100.9-2.5176.6-144-95000111.6G14 T15 L20 S21 K26 F29 I250 S252 A256G14-F17 WeakPolarHBondContact O-CA 3.21Å; G14-F17 WeakPolarHBondContact O-CB 3.26Å; G14-F17 PolarHBondContact O-N 3.45Å; T15-F17 PolarHBondContact O-N 2.72Å; F17-L20 HydrophobicContact CD1-CB 3.88Å; F17-L20 HydrophobicContact CD1-CD1 4.37Å; F17-L20 HydrophobicContact CE1-CB 3.96Å; F17-L20 HydrophobicContact CE1-CD1 3.97Å; F17-L20 HydrophobicContact CZ-CD1 4.46Å; F17-L20 WeakPolarHBondContact O-CA 3.29Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.22Å; F17-L20 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-N 3.47Å; F17-K26 HydrophobicContact CD1-CG 4.41Å; F17-K26 HydrophobicContact CD2-CD 4.48Å; F17-K26 HydrophobicContact CG-CD 4.43Å; F17-K26 HydrophobicContact CG-CG 4.29Å; F17-F29 HydrophobicContact CE1-CB 3.92Å; F17-F29 AromaticContact CE1-CD1 3.71Å; F17-F29 HydrophobicContact CE1-CD1 3.71Å; F17-F29 AromaticContact CE1-CD2 3.52Å; F17-F29 HydrophobicContact CE1-CD2 3.52Å; F17-F29 HydrophobicContact CE1-CE1 4.09Å; F17-F29 AromaticContact CE1-CE2 3.9Å; F17-F29 HydrophobicContact CE1-CE2 3.9Å; F17-F29 AromaticContact CE1-CG 3.41Å; F17-F29 HydrophobicContact CE1-CG 3.41Å; F17-F29 VanDerWaalsContact CE1-CG 3.41Å; F17-F29 HydrophobicContact CE1-CZ 4.17Å; F17-F29 HydrophobicContact CZ-CB 4.3Å; F17-F29 AromaticContact CZ-CD1 3.47Å; F17-F29 HydrophobicContact CZ-CD1 3.47Å; F17-F29 VanDerWaalsContact CZ-CD1 3.47Å; F17-F29 HydrophobicContact CZ-CD2 4.15Å; F17-F29 AromaticContact CZ-CE1 3.74Å; F17-F29 HydrophobicContact CZ-CE1 3.74Å; F17-F29 HydrophobicContact CZ-CE2 4.37Å; F17-F29 AromaticContact CZ-CG 3.69Å; F17-F29 HydrophobicContact CZ-CG 3.69Å; F17-F29 HydrophobicContact CZ-CZ 4.18Å; F17-I250 HydrophobicContact CE2-CG2 3.78Å; F17-I250 HydrophobicContact CZ-CG2 4.4Å; F17-S252 WeakPolarHBondContact CE2-O 3.44Å; F17-A256 HydrophobicContact CE2-CB 3.97Å; F17-A256 HydrophobicContact CZ-CB 3.87Å
18R85.8Confident80.3Confident117 Ų11748.9 Ų48.944%0.44224%0.24SC..THydrogen-bonded Turntrans-67.3143.8172.6-67.4173.2176.3-175.9-2.6110.1G14 T15 S21 F22G14-R18 PolarHBondContact O-N 2.7Å; T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 WeakPolarHBondContact O-CG 3.25Å; T15-R18 PolarHBondContact O-N 2.73Å; R18-S21 WeakPolarHBondContact CG-OG 3.34Å; R18-F22 HydrophobicContact CB-CE1 4.4Å; R18-F22 HydrophobicContact CB-CE2 4.3Å; R18-F22 HydrophobicContact CB-CZ 4.07Å; R18-F22 HydrophobicContact CG-CD1 4.12Å; R18-F22 HydrophobicContact CG-CE1 3.66Å; R18-F22 HydrophobicContact CG-CE2 4.41Å; R18-F22 HydrophobicContact CG-CZ 3.83Å; R18-F22 VanDerWaalsContact NE-CE1 3.35Å
19P89.5Confident80.5Confident3 Ų348.3 Ų48.32%0.01924%0.238CC..THydrogen-bonded Turncis-80.2-7.97.630.9-36.4000115.8S21 F22 I388 I405 L407 P408P19-S21 VanDerWaalsContact C-N 3.31Å; P19-S21 PolarHBondContact O-N 2.97Å; P19-F22 HydrophobicContact CB-CD2 3.9Å; P19-F22 HydrophobicContact CB-CE2 4.1Å; P19-F22 WeakPolarHBondContact O-CB 3.34Å; P19-F22 WeakPolarHBondContact O-CD2 3.39Å; P19-F22 WeakPolarHBondContact O-CG 3.35Å; P19-F22 PolarHBondContact O-N 3.01Å; P19-I388 HydrophobicContact CG-CG2 4.11Å; P19-I405 HydrophobicContact CG-CG2 4.21Å; P19-L407 HydrophobicContact CB-CD2 3.9Å; P19-L407 HydrophobicContact CG-CD2 4.34Å; P19-P408 HydrophobicContact CB-CG 4.17Å
20L89.7Confident81.2Confident1 Ų148.9 Ų48.91%0.00524%0.237CC..G310 helixtrans-63.9-36-170.3-54.9168.7000113.1F17 F22 E23 F29 A253 L327 I342 W345 I388F17-L20 HydrophobicContact CD1-CB 3.88Å; F17-L20 HydrophobicContact CD1-CD1 4.37Å; F17-L20 HydrophobicContact CE1-CB 3.96Å; F17-L20 HydrophobicContact CE1-CD1 3.97Å; F17-L20 HydrophobicContact CZ-CD1 4.46Å; F17-L20 WeakPolarHBondContact O-CA 3.29Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.22Å; F17-L20 PolarHBondContact O-N 2.95Å; L20-F22 PolarHBondContact O-N 3.27Å; L20-E23 PolarHBondContact O-N 3.06Å; L20-F29 HydrophobicContact CB-CD2 4.39Å; L20-F29 HydrophobicContact CB-CE2 4.12Å; L20-F29 HydrophobicContact CD1-CE2 3.84Å; L20-F29 HydrophobicContact CD1-CZ 4.01Å; L20-F29 HydrophobicContact CD2-CE2 4.44Å; L20-F29 HydrophobicContact CG-CE2 4.36Å; L20-A253 HydrophobicContact CD1-CB 3.85Å; L20-L327 HydrophobicContact CD2-CD1 4.05Å; L20-I342 HydrophobicContact CD1-CB 4.37Å; L20-I342 HydrophobicContact CD1-CD1 3.74Å; L20-I342 HydrophobicContact CD1-CG2 3.89Å; L20-I342 HydrophobicContact CD2-CG2 3.82Å; L20-W345 HydrophobicContact CB-CH2 4.29Å; L20-W345 HydrophobicContact CB-CZ3 4.17Å; L20-W345 HydrophobicContact CD2-CZ3 3.93Å; L20-W345 WeakPolarHBondContact O-CH2 3.44Å; L20-I388 HydrophobicContact CD1-CG2 4.07Å; L20-I388 HydrophobicContact CD2-CG2 3.88Å; L20-I388 HydrophobicContact CG-CG2 3.85Å
21S86.2Confident82.7Confident25 Ų2548.4 Ų48.418%0.17523%0.232CC..G310 helixtrans-76.75.4178.273.30000114.6G14 F17 R18 P19 V24G14-S21 PolarHBondContact O-OG 2.77Å; F17-S21 PolarHBondContact O-N 3.47Å; R18-S21 WeakPolarHBondContact CG-OG 3.34Å; P19-S21 VanDerWaalsContact C-N 3.31Å; P19-S21 PolarHBondContact O-N 2.97Å; S21-V24 WeakPolarHBondContact CA-O 3.5Å
22F85.6Confident84.5Confident107 Ų10745.4 Ų45.447%0.46921%0.213SC..G310 helixtrans-78.4-34.4169-66.1-38.9000111.5R18 P19 L20 L407 P408R18-F22 HydrophobicContact CB-CE1 4.4Å; R18-F22 HydrophobicContact CB-CE2 4.3Å; R18-F22 HydrophobicContact CB-CZ 4.07Å; R18-F22 HydrophobicContact CG-CD1 4.12Å; R18-F22 HydrophobicContact CG-CE1 3.66Å; R18-F22 HydrophobicContact CG-CE2 4.41Å; R18-F22 HydrophobicContact CG-CZ 3.83Å; R18-F22 VanDerWaalsContact NE-CE1 3.35Å; P19-F22 HydrophobicContact CB-CD2 3.9Å; P19-F22 HydrophobicContact CB-CE2 4.1Å; P19-F22 WeakPolarHBondContact O-CB 3.34Å; P19-F22 WeakPolarHBondContact O-CD2 3.39Å; P19-F22 WeakPolarHBondContact O-CG 3.35Å; P19-F22 PolarHBondContact O-N 3.01Å; L20-F22 PolarHBondContact O-N 3.27Å; F22-L407 HydrophobicContact CE2-CD2 4.5Å; F22-P408 HydrophobicContact CD2-CG 4.2Å
23E85.2Confident86.3Confident83 Ų8338.9 Ų38.939%0.38819%0.187SC..THydrogen-bonded Turntrans-80.5-58.7-177.2-167.262.1-14700110.4L20 W345 C391L20-E23 PolarHBondContact O-N 3.06Å; E23-W345 HydrophobicContact CB-CD2 4.26Å; E23-W345 HydrophobicContact CB-CE3 3.84Å; E23-W345 HydrophobicContact CB-CH2 4.12Å; E23-W345 HydrophobicContact CB-CZ2 4.5Å; E23-W345 HydrophobicContact CB-CZ3 3.77Å; E23-W345 HydrophobicContact CG-CD2 3.88Å; E23-W345 HydrophobicContact CG-CE3 3.95Å; E23-W345 HydrophobicContact CG-CG 4.23Å; E23-W345 HydrophobicContact CG-CZ3 4.32Å; E23-C391 PolarHBondContact OE2-SG 2.81Å
24V87.3Confident88.1Confident15 Ų1531.7 Ų31.79%0.09116%0.157CC..SBendtrans-119146.2-177.2-57.20000111.3S21 K26 F29 W345S21-V24 WeakPolarHBondContact CA-O 3.5Å; V24-K26 PolarHBondContact O-N 3.04Å; V24-F29 HydrophobicContact CG2-CB 4.48Å; V24-F29 HydrophobicContact CG2-CD2 4.46Å; V24-W345 HydrophobicContact CB-CZ2 4.37Å; V24-W345 HydrophobicContact CG1-CZ2 3.89Å; V24-W345 HydrophobicContact CG2-CH2 3.69Å; V24-W345 HydrophobicContact CG2-CZ2 3.53Å
25P88.7Confident89.8Confident16 Ų1633 Ų3310%0.10417%0.165CC..  trans-50.2134.3165.2-27.435.7000110.7P27 L28 F29 Y59 E64P25-P27 VanDerWaalsContact C-N 3.31Å; P25-P27 VanDerWaalsContact O-N 3.16Å; P25-L28 HydrophobicContact CB-CD1 4.36Å; P25-L28 HydrophobicContact CB-CG 4.37Å; P25-L28 HydrophobicContact CG-CD1 4.16Å; P25-L28 WeakPolarHBondContact O-CA 3.33Å; P25-L28 WeakPolarHBondContact O-CB 3.38Å; P25-L28 PolarHBondContact O-N 2.93Å; P25-F29 PolarHBondContact O-N 3.28Å; P25-Y59 HydrophobicContact CB-CD1 3.89Å; P25-Y59 HydrophobicContact CB-CE1 3.65Å; P25-Y59 HydrophobicContact CG-CD1 4.2Å; P25-Y59 HydrophobicContact CG-CE1 4.36Å; P25-E64 WeakPolarHBondContact CD-OE2 3.41Å
26K90.9Very high90.9Very high14 Ų1429.7 Ų29.76%0.06115%0.145CC..G310 helixtrans-50.1-41.9-179.6178.2-172.5172.6-163.80113.9F17 V24 L28 F29 M36 D116 I250F17-K26 HydrophobicContact CD1-CG 4.41Å; F17-K26 HydrophobicContact CD2-CD 4.48Å; F17-K26 HydrophobicContact CG-CD 4.43Å; F17-K26 HydrophobicContact CG-CG 4.29Å; V24-K26 PolarHBondContact O-N 3.04Å; K26-L28 PolarHBondContact O-N 2.66Å; K26-L28 VanDerWaalsContact O-N 3.11Å; K26-F29 VanDerWaalsContact O-CB 3.26Å; K26-F29 WeakPolarHBondContact O-CB 3.4Å; K26-F29 PolarHBondContact O-N 3.14Å; K26-M36 HydrophobicContact CG-SD 4.4Å; K26-D116 IonicContact NZ-OD2 3.05Å; K26-I250 WeakPolarHBondContact CE-O 3.31Å; K26-I250 PolarHBondContact NZ-O 3.31Å
27P92.7Very high91.9Very high7 Ų723.9 Ų23.95%0.04512%0.123CC..G310 helixtrans-60.6-19.4176.4-22.132.9000114.4I8 P25 M36 L37 Y59I8-P27 HydrophobicContact CB-CB 4.28Å; I8-P27 HydrophobicContact CB-CG 3.84Å; I8-P27 HydrophobicContact CG2-CB 4.19Å; I8-P27 HydrophobicContact CG2-CG 4.3Å; P25-P27 VanDerWaalsContact C-N 3.31Å; P25-P27 VanDerWaalsContact O-N 3.16Å; P27-M36 WeakPolarHBondContact O-CB 3.46Å; P27-M36 PolarHBondContact O-N 3.22Å; P27-L37 HydrophobicContact CB-CD1 3.61Å; P27-L37 HydrophobicContact CB-CD2 4.32Å; P27-L37 HydrophobicContact CB-CG 3.65Å; P27-L37 WeakPolarHBondContact O-CG 3.49Å; P27-L37 PolarHBondContact O-N 3.38Å; P27-Y59 WeakPolarHBondContact CD-OH 3.48Å; P27-Y59 HydrophobicContact CG-CE2 3.95Å
28L94.1Very high92.5Very high15 Ų1524.8 Ų24.88%0.07913%0.127CC..G310 helixtrans-97.5-4176.6-59.2-179000113.2P25 K26 L37 E64 L65 F68P25-L28 HydrophobicContact CB-CD1 4.36Å; P25-L28 HydrophobicContact CB-CG 4.37Å; P25-L28 HydrophobicContact CG-CD1 4.16Å; P25-L28 WeakPolarHBondContact O-CA 3.33Å; P25-L28 WeakPolarHBondContact O-CB 3.38Å; P25-L28 PolarHBondContact O-N 2.93Å; K26-L28 PolarHBondContact O-N 2.66Å; K26-L28 VanDerWaalsContact O-N 3.11Å; L28-L37 HydrophobicContact CD2-CD1 4.02Å; L28-E64 HydrophobicContact CD1-CB 4.14Å; L28-L65 HydrophobicContact CD1-CB 4.19Å; L28-L65 HydrophobicContact CD1-CD1 4.29Å; L28-L65 HydrophobicContact CD2-CD1 4.28Å; L28-F68 HydrophobicContact CD2-CB 3.95Å; L28-F68 HydrophobicContact CD2-CD1 3.6Å; L28-F68 HydrophobicContact CD2-CD2 4.15Å; L28-F68 HydrophobicContact CD2-CE1 4.14Å; L28-F68 HydrophobicContact CD2-CG 3.6Å
29F95.1Very high93.1Very high0 Ų019.6 Ų19.60%011%0.108CC..SBendtrans-59.3130.8177.2-177.6-99.1000110.2F17 L20 V24 P25 K26 V31 M36 A256 I325 L327 I342 W345F17-F29 HydrophobicContact CE1-CB 3.92Å; F17-F29 AromaticContact CE1-CD1 3.71Å; F17-F29 HydrophobicContact CE1-CD1 3.71Å; F17-F29 AromaticContact CE1-CD2 3.52Å; F17-F29 HydrophobicContact CE1-CD2 3.52Å; F17-F29 HydrophobicContact CE1-CE1 4.09Å; F17-F29 AromaticContact CE1-CE2 3.9Å; F17-F29 HydrophobicContact CE1-CE2 3.9Å; F17-F29 AromaticContact CE1-CG 3.41Å; F17-F29 HydrophobicContact CE1-CG 3.41Å; F17-F29 VanDerWaalsContact CE1-CG 3.41Å; F17-F29 HydrophobicContact CE1-CZ 4.17Å; F17-F29 HydrophobicContact CZ-CB 4.3Å; F17-F29 AromaticContact CZ-CD1 3.47Å; F17-F29 HydrophobicContact CZ-CD1 3.47Å; F17-F29 VanDerWaalsContact CZ-CD1 3.47Å; F17-F29 HydrophobicContact CZ-CD2 4.15Å; F17-F29 AromaticContact CZ-CE1 3.74Å; F17-F29 HydrophobicContact CZ-CE1 3.74Å; F17-F29 HydrophobicContact CZ-CE2 4.37Å; F17-F29 AromaticContact CZ-CG 3.69Å; F17-F29 HydrophobicContact CZ-CG 3.69Å; F17-F29 HydrophobicContact CZ-CZ 4.18Å; L20-F29 HydrophobicContact CB-CD2 4.39Å; L20-F29 HydrophobicContact CB-CE2 4.12Å; L20-F29 HydrophobicContact CD1-CE2 3.84Å; L20-F29 HydrophobicContact CD1-CZ 4.01Å; L20-F29 HydrophobicContact CD2-CE2 4.44Å; L20-F29 HydrophobicContact CG-CE2 4.36Å; V24-F29 HydrophobicContact CG2-CB 4.48Å; V24-F29 HydrophobicContact CG2-CD2 4.46Å; P25-F29 PolarHBondContact O-N 3.28Å; K26-F29 VanDerWaalsContact O-CB 3.26Å; K26-F29 WeakPolarHBondContact O-CB 3.4Å; K26-F29 PolarHBondContact O-N 3.14Å; F29-V31 HydrophobicContact CD1-CG2 3.81Å; F29-V31 HydrophobicContact CE1-CG2 4.18Å; F29-V31 PolarHBondContact O-N 3.32Å; F29-M36 HydrophobicContact CB-SD 4.25Å; F29-M36 WeakPolarHBondContact O-CG 3.5Å; F29-M36 PolarHBondContact O-N 3.06Å; F29-A256 HydrophobicContact CD1-CB 4.44Å; F29-A256 HydrophobicContact CE1-CB 3.91Å; F29-I325 HydrophobicContact CE1-CD1 4.06Å; F29-I325 HydrophobicContact CZ-CD1 4.37Å; F29-I325 HydrophobicContact CZ-CG2 4.49Å; F29-L327 HydrophobicContact CE2-CD1 3.8Å; F29-L327 HydrophobicContact CE2-CD2 4.07Å; F29-L327 HydrophobicContact CZ-CD1 4.38Å; F29-L327 HydrophobicContact CZ-CD2 4.22Å; F29-I342 HydrophobicContact CZ-CD1 4.09Å; F29-I342 HydrophobicContact CZ-CG2 4.24Å; F29-W345 AromaticContact CD2-CH2 3.97Å; F29-W345 HydrophobicContact CD2-CH2 3.97Å; F29-W345 HydrophobicContact CD2-CZ2 4.34Å; F29-W345 HydrophobicContact CE2-CH2 4.03Å
30P96.6Very high93.5Very high35 Ų3519.5 Ų19.523%0.22711%0.107CC..EExtended strand (participates in β ladder)trans-75.9127.1-177.129.2-34.7000111.7V34 L327P30-V34 CarbonylContact C-O 3.58Å; P30-V34 VanDerWaalsContact CA-O 3.32Å; P30-V34 WeakPolarHBondContact CA-O 3.22Å; P30-L327 HydrophobicContact CG-CD2 3.4Å; P30-L327 VanDerWaalsContact CG-CD2 3.4Å
31V97.4Very high94Very high0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-128.3124.9175.8178.60000107.6F29 G33 V34 M36 H39 I250 A259 Y263F29-V31 HydrophobicContact CD1-CG2 3.81Å; F29-V31 HydrophobicContact CE1-CG2 4.18Å; F29-V31 PolarHBondContact O-N 3.32Å; V31-G33 PolarHBondContact O-N 3.43Å; V31-V34 PolarHBondContact N-O 3.32Å; V31-V34 PolarHBondContact O-N 2.8Å; V31-V34 VanDerWaalsContact O-O 3.04Å; V31-M36 HydrophobicContact CB-CG 4.33Å; V31-M36 HydrophobicContact CG2-CG 3.6Å; V31-M36 HydrophobicContact CG2-SD 4.27Å; V31-H39 PolarHBondContact O-NE2 3.43Å; V31-I250 HydrophobicContact CG2-CD1 4.32Å; V31-A259 HydrophobicContact CG1-CB 3.94Å; V31-Y263 HydrophobicContact CG1-CD2 3.84Å; V31-Y263 HydrophobicContact CG1-CE2 4.38Å
32A97.8Very high94.5Very high0 Ų018.9 Ų18.90%010%0.102CC..THydrogen-bonded Turntrans52.240-170.500000113.4V34 S260 L264 Y267A32-V34 PolarHBondContact O-N 2.84Å; A32-S260 WeakPolarHBondContact CA-OG 3.42Å; A32-S260 PolarHBondContact N-OG 3.47Å; A32-L264 HydrophobicContact CB-CD2 4.03Å; A32-L264 HydrophobicContact CB-CG 3.82Å; A32-Y267 HydrophobicContact CB-CE2 3.94Å; A32-Y267 VanDerWaalsContact O-CE2 3.26Å; A32-Y267 WeakPolarHBondContact O-CE2 3.49Å; A32-Y267 PolarHBondContact O-OH 3.21Å
33G96.8Very high95.1Very high19 Ų1914.3 Ų14.320%0.1968%0.084CC..THydrogen-bonded Turntrans88.3-10171.800000116.5V31 Y290V31-G33 PolarHBondContact O-N 3.43Å; G33-Y290 PolarHBondContact O-OH 3.49Å
34V97Very high95.7Very high11 Ų1110.4 Ų10.47%0.0677%0.065CC..EExtended strand (participates in β ladder)trans-130155.2179.8-58.60000111.2P30 V31 A32 Q38 H39 Y267P30-V34 CarbonylContact C-O 3.58Å; P30-V34 VanDerWaalsContact CA-O 3.32Å; P30-V34 WeakPolarHBondContact CA-O 3.22Å; V31-V34 PolarHBondContact N-O 3.32Å; V31-V34 PolarHBondContact O-N 2.8Å; V31-V34 VanDerWaalsContact O-O 3.04Å; A32-V34 PolarHBondContact O-N 2.84Å; V34-Q38 HydrophobicContact CB-CB 4.24Å; V34-Q38 HydrophobicContact CB-CG 4.28Å; V34-Q38 HydrophobicContact CG2-CB 4.23Å; V34-Q38 HydrophobicContact CG2-CG 4.34Å; V34-H39 VanDerWaalsContact CG2-CE1 3.5Å; V34-H39 WeakPolarHBondContact CG2-CE1 3.49Å; V34-H39 VanDerWaalsContact CG2-NE2 3.28Å; V34-H39 WeakPolarHBondContact CG2-NE2 3.28Å; V34-Y267 WeakPolarHBondContact CG2-OH 3.49Å
35P96.6Very high96.1Very high30 Ų3012 Ų1220%0.1958%0.075CC..EExtended strand (participates in β ladder)trans-54.7144.9176.4-28.738.3000113.3L37 Q38 F68P35-L37 PolarHBondContact O-N 2.87Å; P35-L37 VanDerWaalsContact O-N 3.15Å; P35-Q38 HydrophobicContact CB-CB 4.48Å; P35-Q38 VanDerWaalsContact O-CB 3.28Å; P35-Q38 WeakPolarHBondContact O-CB 3.44Å; P35-Q38 PolarHBondContact O-N 3.48Å; P35-F68 HydrophobicContact CB-CD2 4.24Å; P35-F68 HydrophobicContact CB-CE2 3.77Å; P35-F68 HydrophobicContact CB-CZ 4.34Å; P35-F68 HydrophobicContact CG-CD2 3.9Å; P35-F68 HydrophobicContact CG-CE2 3.72Å
36M96.2Very high96.5Very high3 Ų317 Ų172%0.01510%0.095CC..Hα-helixtrans-50.5-41.1176.7-76.2171.253.900113.1K26 P27 F29 V31 Q38 H39 H40 A115 I250K26-M36 HydrophobicContact CG-SD 4.4Å; P27-M36 WeakPolarHBondContact O-CB 3.46Å; P27-M36 PolarHBondContact O-N 3.22Å; F29-M36 HydrophobicContact CB-SD 4.25Å; F29-M36 WeakPolarHBondContact O-CG 3.5Å; F29-M36 PolarHBondContact O-N 3.06Å; V31-M36 HydrophobicContact CB-CG 4.33Å; V31-M36 HydrophobicContact CG2-CG 3.6Å; V31-M36 HydrophobicContact CG2-SD 4.27Å; M36-Q38 VanDerWaalsContact C-N 3.27Å; M36-Q38 PolarHBondContact O-N 3.4Å; M36-H39 PolarHBondContact O-N 3.05Å; M36-H40 PolarHBondContact O-ND1 2.97Å; M36-A115 WeakPolarHBondContact CE-O 3.21Å; M36-I250 HydrophobicContact CE-CB 3.83Å; M36-I250 HydrophobicContact CE-CD1 3.7Å; M36-I250 HydrophobicContact CE-CG1 4.35Å; M36-I250 HydrophobicContact CE-CG2 3.98Å; M36-I250 HydrophobicContact CG-CD1 4Å; M36-I250 HydrophobicContact SD-CB 4.34Å; M36-I250 HydrophobicContact SD-CD1 3.96Å; M36-I250 HydrophobicContact SD-CG2 3.86Å
37L96.7Very high96.8Very high0 Ų016.7 Ų16.70%09%0.094CC..Hα-helixtrans-62.1-31.2176.7-83.5174.9000113.9I6 I8 P27 L28 P35 H39 H40 I41 L55 F68 A115I6-L37 HydrophobicContact CG2-CD2 3.76Å; I8-L37 HydrophobicContact CG2-CD1 4.09Å; I8-L37 HydrophobicContact CG2-CD2 3.47Å; I8-L37 VanDerWaalsContact CG2-CD2 3.47Å; I8-L37 HydrophobicContact CG2-CG 4.24Å; P27-L37 HydrophobicContact CB-CD1 3.61Å; P27-L37 HydrophobicContact CB-CD2 4.32Å; P27-L37 HydrophobicContact CB-CG 3.65Å; P27-L37 WeakPolarHBondContact O-CG 3.49Å; P27-L37 PolarHBondContact O-N 3.38Å; L28-L37 HydrophobicContact CD2-CD1 4.02Å; P35-L37 PolarHBondContact O-N 2.87Å; P35-L37 VanDerWaalsContact O-N 3.15Å; L37-H39 VanDerWaalsContact C-N 3.31Å; L37-H39 PolarHBondContact O-N 3.25Å; L37-H40 WeakPolarHBondContact O-CB 3.41Å; L37-H40 PolarHBondContact O-N 3.32Å; L37-H40 VanDerWaalsContact O-N 3.16Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.96Å; L37-L55 HydrophobicContact CD1-CD1 3.96Å; L37-L55 HydrophobicContact CD2-CD2 4.25Å; L37-F68 HydrophobicContact CB-CE1 3.72Å; L37-F68 HydrophobicContact CB-CZ 3.74Å; L37-F68 HydrophobicContact CD1-CE1 4.06Å; L37-A115 HydrophobicContact CD2-CB 4.26Å
38Q97.6Very high96.9Very high19 Ų1919.8 Ų19.89%0.08911%0.114CC..Hα-helixtrans-64.1-38.5-178.5-178164-16.500111.4V34 P35 M36 H40 I41 E42 F68 F76V34-Q38 HydrophobicContact CB-CB 4.24Å; V34-Q38 HydrophobicContact CB-CG 4.28Å; V34-Q38 HydrophobicContact CG2-CB 4.23Å; V34-Q38 HydrophobicContact CG2-CG 4.34Å; P35-Q38 HydrophobicContact CB-CB 4.48Å; P35-Q38 VanDerWaalsContact O-CB 3.28Å; P35-Q38 WeakPolarHBondContact O-CB 3.44Å; P35-Q38 PolarHBondContact O-N 3.48Å; M36-Q38 VanDerWaalsContact C-N 3.27Å; M36-Q38 PolarHBondContact O-N 3.4Å; Q38-H40 VanDerWaalsContact C-N 3.26Å; Q38-H40 PolarHBondContact O-N 3.3Å; Q38-I41 PolarHBondContact O-N 3.03Å; Q38-E42 HydrophobicContact CG-CG 4.27Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.44Å; Q38-E42 WeakPolarHBondContact O-CB 3.3Å; Q38-E42 WeakPolarHBondContact O-CG 3.15Å; Q38-E42 PolarHBondContact O-N 3.42Å; Q38-F68 HydrophobicContact CB-CE2 4.25Å; Q38-F68 HydrophobicContact CB-CZ 4.28Å; Q38-F76 HydrophobicContact CG-CE2 4.29Å; Q38-F76 HydrophobicContact CG-CZ 4.06Å
39H98Very high96.9Very high9 Ų924.4 Ų24.44%0.04214%0.139CC..Hα-helixtrans-59.1-37.5174.7-64.9-74000112.7V31 V34 M36 L37 A43 F121 Y263 Y267V31-H39 PolarHBondContact O-NE2 3.43Å; V34-H39 VanDerWaalsContact CG2-CE1 3.5Å; V34-H39 WeakPolarHBondContact CG2-CE1 3.49Å; V34-H39 VanDerWaalsContact CG2-NE2 3.28Å; V34-H39 WeakPolarHBondContact CG2-NE2 3.28Å; M36-H39 PolarHBondContact O-N 3.05Å; L37-H39 VanDerWaalsContact C-N 3.31Å; L37-H39 PolarHBondContact O-N 3.25Å; H39-A43 PolarHBondContact O-N 2.95Å; H39-F121 HydrophobicContact CB-CE2 4.28Å; H39-Y263 HydrophobicContact CB-CE1 4.03Å; H39-Y263 HydrophobicContact CB-CE2 4.38Å; H39-Y263 AromaticContact CD2-CE2 3.8Å; H39-Y263 AromaticContact CE1-CD1 3.68Å; H39-Y263 AromaticContact CE1-CD2 3.72Å; H39-Y263 AromaticContact CE1-CG 3.49Å; H39-Y263 VanDerWaalsContact CE1-CG 3.49Å; H39-Y263 AromaticContact CG-CE1 3.79Å; H39-Y263 AromaticContact CG-CE2 3.84Å; H39-Y263 AromaticContact CG-CZ 3.62Å; H39-Y263 AromaticContact ND1-CD1 3.45Å; H39-Y263 WeakPolarHBondContact ND1-CD1 3.48Å; H39-Y263 AromaticContact ND1-CE1 3.51Å; H39-Y263 AromaticContact ND1-CG 3.74Å; H39-Y263 AromaticContact ND1-CZ 3.81Å; H39-Y263 AromaticContact NE2-CD2 3.73Å; H39-Y263 AromaticContact NE2-CE2 3.98Å; H39-Y263 AromaticContact NE2-CG 3.98Å; H39-Y267 AromaticContact CE1-CZ 3.97Å; H39-Y267 PolarHBondContact CE1-OH 3.48Å
40H98.3Very high97Very high1 Ų124.9 Ų24.91%0.00514%0.141CC..Hα-helixtrans-71.7-43.6177.5-6473.6000111.3I6 M36 L37 Q38 A43 C44 N114 A115 V117 F121I6-H40 HydrophobicContact CD1-CB 3.68Å; I6-H40 HydrophobicContact CG1-CB 4.47Å; M36-H40 PolarHBondContact O-ND1 2.97Å; L37-H40 WeakPolarHBondContact O-CB 3.41Å; L37-H40 PolarHBondContact O-N 3.32Å; L37-H40 VanDerWaalsContact O-N 3.16Å; Q38-H40 VanDerWaalsContact C-N 3.26Å; Q38-H40 PolarHBondContact O-N 3.3Å; H40-A43 PolarHBondContact O-N 3.19Å; H40-C44 PolarHBondContact O-N 3.07Å; H40-C44 PolarHBondContact O-SG 3.02Å; H40-N114 PolarHBondContact NE2-O 3.46Å; H40-A115 PolarHBondContact CE1-O 3.49Å; H40-V117 PolarHBondContact CE1-O 2.87Å; H40-V117 VanDerWaalsContact CE1-O 3.22Å; H40-V117 PolarHBondContact NE2-O 3.18Å; H40-F121 AromaticContact CD2-CE1 3.62Å; H40-F121 AromaticContact CD2-CZ 3.53Å; H40-F121 AromaticContact CE1-CZ 3.74Å; H40-F121 AromaticContact CG-CZ 3.81Å; H40-F121 AromaticContact ND1-CZ 3.94Å; H40-F121 AromaticContact NE2-CE1 3.77Å; H40-F121 AromaticContact NE2-CZ 3.49Å; H40-F121 WeakPolarHBondContact NE2-CZ 3.35Å
41I98.3Very high97.1Very high0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-63.4-46.1178.6-68.8162.8000110.2I6 L37 Q38 A43 C44 V45 I53 F68 A72 F76 I80I6-I41 HydrophobicContact CD1-CG1 4.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.5Å; L37-I41 PolarHBondContact O-N 2.96Å; Q38-I41 PolarHBondContact O-N 3.03Å; I41-A43 VanDerWaalsContact C-N 3.27Å; I41-A43 PolarHBondContact O-N 3.37Å; I41-C44 PolarHBondContact O-N 3.21Å; I41-C44 VanDerWaalsContact O-N 3.1Å; I41-V45 HydrophobicContact CG2-CG2 4.11Å; I41-V45 WeakPolarHBondContact O-CG2 3.31Å; I41-V45 PolarHBondContact O-N 3.32Å; I41-I53 HydrophobicContact CB-CD1 4.34Å; I41-I53 HydrophobicContact CG1-CD1 4.22Å; I41-I53 HydrophobicContact CG2-CD1 3.99Å; I41-F68 HydrophobicContact CD1-CE1 3.83Å; I41-F68 HydrophobicContact CD1-CZ 3.82Å; I41-A72 HydrophobicContact CD1-CB 4.29Å; I41-F76 HydrophobicContact CG2-CD2 3.47Å; I41-F76 VanDerWaalsContact CG2-CD2 3.47Å; I41-F76 HydrophobicContact CG2-CE2 3.8Å; I41-F76 HydrophobicContact CG2-CG 4.03Å; I41-I80 HydrophobicContact CD1-CD1 4.09Å; I41-I80 HydrophobicContact CG1-CD1 4.41Å; I41-I80 HydrophobicContact CG2-CD1 3.93Å
42E97.4Very high97.1Very high13 Ų1329.8 Ų29.86%0.06116%0.159CC..Hα-helixtrans-58.9-37.9176.7-77.1176.2-166.600112.4Q38 K46 F76 H271 R274Q38-E42 HydrophobicContact CG-CG 4.27Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.44Å; Q38-E42 WeakPolarHBondContact O-CB 3.3Å; Q38-E42 WeakPolarHBondContact O-CG 3.15Å; Q38-E42 PolarHBondContact O-N 3.42Å; E42-K46 WeakPolarHBondContact O-CD 3.49Å; E42-K46 WeakPolarHBondContact O-CG 3.22Å; E42-F76 HydrophobicContact CG-CE1 3.57Å; E42-F76 HydrophobicContact CG-CZ 3.55Å; E42-H271 IonicContact OE2-CE1 3.61Å; E42-H271 PolarHBondContact OE2-CE1 2.89Å; E42-H271 IonicContact OE2-NE2 2.66Å; E42-R274 IonicContact OE1-CZ 3.13Å; E42-R274 VanDerWaalsContact OE1-CZ 3.32Å; E42-R274 IonicContact OE1-NH1 3.31Å; E42-R274 PolarHBondContact OE1-NH1 3.18Å; E42-R274 VanDerWaalsContact OE1-NH1 3.07Å; E42-R274 IonicContact OE1-NH2 3.75Å; E42-R274 PolarHBondContact OE1-NH2 3.18Å; E42-R274 IonicContact OE2-CZ 3.53Å; E42-R274 IonicContact OE2-NH1 2.88Å; E42-R274 PolarHBondContact OE2-NH1 3Å; E42-R274 IonicContact OE2-NH2 3.01Å
43A97.7Very high97.1Very high11 Ų1129.8 Ų29.89%0.09116%0.159CC..Hα-helixtrans-66.1-45.2173.500000112H39 H40 I41 V45 K46 F121 L123H39-A43 PolarHBondContact O-N 2.95Å; H40-A43 PolarHBondContact O-N 3.19Å; I41-A43 VanDerWaalsContact C-N 3.27Å; I41-A43 PolarHBondContact O-N 3.37Å; A43-V45 PolarHBondContact O-N 3.42Å; A43-K46 PolarHBondContact O-N 3.38Å; A43-F121 HydrophobicContact CB-CB 3.42Å; A43-F121 VanDerWaalsContact CB-CB 3.42Å; A43-F121 HydrophobicContact CB-CD2 3.78Å; A43-F121 HydrophobicContact CB-CG 3.76Å; A43-L123 HydrophobicContact CB-CD1 4.08Å
44C98.2Very high97.2Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-63.5-40.3179.3-65.80000112.4A4 H40 I41 K46 V47 L50 I53A4-C44 HydrophobicContact CB-CB 4.36Å; A4-C44 VanDerWaalsContact CB-SG 3.59Å; H40-C44 PolarHBondContact O-N 3.07Å; H40-C44 PolarHBondContact O-SG 3.02Å; I41-C44 PolarHBondContact O-N 3.21Å; I41-C44 VanDerWaalsContact O-N 3.1Å; C44-K46 PolarHBondContact O-N 2.89Å; C44-V47 WeakPolarHBondContact O-CB 3.4Å; C44-V47 PolarHBondContact O-N 3.42Å; C44-L50 HydrophobicContact CB-CD1 3.95Å; C44-L50 HydrophobicContact CB-CD2 4.29Å; C44-I53 HydrophobicContact CB-CD1 3.63Å; C44-I53 HydrophobicContact CB-CG1 4.13Å
45V96.9Very high97.2Very high49 Ų4928.3 Ų28.330%0.29715%0.147SC..Hα-helixtrans-65.2-24.5-178.5171.90000112.3I41 A43 V47 F76 M78I41-V45 HydrophobicContact CG2-CG2 4.11Å; I41-V45 WeakPolarHBondContact O-CG2 3.31Å; I41-V45 PolarHBondContact O-N 3.32Å; A43-V45 PolarHBondContact O-N 3.42Å; V45-V47 VanDerWaalsContact C-N 3.29Å; V45-F76 HydrophobicContact CG2-CB 3.83Å; V45-F76 HydrophobicContact CG2-CD1 4.32Å; V45-F76 HydrophobicContact CG2-CG 4.14Å; V45-M78 HydrophobicContact CB-CE 4.44Å; V45-M78 HydrophobicContact CG2-CB 4.29Å; V45-M78 HydrophobicContact CG2-CE 3.97Å; V45-M78 HydrophobicContact CG2-CG 4.41Å
46K96Very high97.1Very high122 Ų12227 Ų2753%0.5314%0.138SC..THydrogen-bonded Turntrans-76.5-15.3175.5-68.7169.2-175.1178.40113.2E42 A43 C44 P48E42-K46 WeakPolarHBondContact O-CD 3.49Å; E42-K46 WeakPolarHBondContact O-CG 3.22Å; A43-K46 PolarHBondContact O-N 3.38Å; C44-K46 PolarHBondContact O-N 2.89Å; K46-P48 WeakPolarHBondContact O-CD 3.17Å
47V97.5Very high96.9Very high6 Ų626.8 Ų26.84%0.03614%0.137CC..SBendtrans-76.5124.4-179.4-1780000109.9L2 C44 V45 N49 L50 F111 L123 L127L2-V47 HydrophobicContact CD1-CG1 3.88Å; C44-V47 WeakPolarHBondContact O-CB 3.4Å; C44-V47 PolarHBondContact O-N 3.42Å; V45-V47 VanDerWaalsContact C-N 3.29Å; V47-N49 PolarHBondContact O-N 3.3Å; V47-L50 HydrophobicContact CB-CB 4.11Å; V47-L50 HydrophobicContact CB-CD1 4.18Å; V47-L50 HydrophobicContact CG1-CB 4.39Å; V47-L50 PolarHBondContact O-N 2.86Å; V47-F111 HydrophobicContact CG1-CE2 3.93Å; V47-F111 HydrophobicContact CG1-CZ 4.48Å; V47-F111 HydrophobicContact CG2-CE2 4.35Å; V47-L123 HydrophobicContact CG2-CB 3.54Å; V47-L123 HydrophobicContact CG2-CD1 3.98Å; V47-L123 HydrophobicContact CG2-CG 4.41Å; V47-L127 HydrophobicContact CG1-CD2 4.32Å
48P94.4Very high96.4Very high73 Ų7330.2 Ų30.247%0.47415%0.152SC..THydrogen-bonded Turntrans-57.3140.2176.9-2433.9000112L2 K46 L50L2-P48 WeakPolarHBondContact CD1-O 3.22Å; K46-P48 WeakPolarHBondContact O-CD 3.17Å; P48-L50 PolarHBondContact O-N 2.92Å
49N94.9Very high95.7Very high112 Ų11230.4 Ų30.460%0.59915%0.152SC*.THydrogen-bonded Turntrans61.110.8177.1-60.7-39.3000116.5L2 V47 K51L2-N49 PolarHBondContact N-O 3.31Å; V47-N49 PolarHBondContact O-N 3.3Å; N49-K51 PolarHBondContact O-N 3.31Å
50L97.8Very high95Very high9 Ų937.8 Ų37.85%0.04719%0.187CC..EExtended strand (participates in β ladder)trans-71.3124.5167.2-167.6147000109.5L2 A4 C44 V47 P48 I53 M78 F111L2-L50 HydrophobicContact CB-CB 4.34Å; L2-L50 WeakPolarHBondContact O-CA 3.31Å; A4-L50 HydrophobicContact CB-CD1 3.94Å; C44-L50 HydrophobicContact CB-CD1 3.95Å; C44-L50 HydrophobicContact CB-CD2 4.29Å; V47-L50 HydrophobicContact CB-CB 4.11Å; V47-L50 HydrophobicContact CB-CD1 4.18Å; V47-L50 HydrophobicContact CG1-CB 4.39Å; V47-L50 PolarHBondContact O-N 2.86Å; P48-L50 PolarHBondContact O-N 2.92Å; L50-I53 HydrophobicContact CD2-CD1 4.49Å; L50-I53 HydrophobicContact CD2-CG1 3.87Å; L50-M78 HydrophobicContact CD2-CE 3.81Å; L50-M78 HydrophobicContact CD2-SD 3.84Å; L50-M78 WeakPolarHBondContact O-CE 3.11Å; L50-F111 HydrophobicContact CD1-CD2 4.39Å
51K96.8Very high94Very high118 Ų11840.7 Ų40.751%0.51321%0.206SC..EExtended strand (participates in β ladder)trans-113.9-20.4-172.6-61.1-57.7-178.6-176.60114.2M1 L2 N49 M78M1-K51 HydrophobicContact CB-CG 4.06Å; M1-K51 HydrophobicContact CE-CB 4.01Å; M1-K51 HydrophobicContact CE-CG 4.4Å; L2-K51 PolarHBondContact O-N 2.93Å; N49-K51 PolarHBondContact O-N 3.31Å; K51-M78 VanDerWaalsContact C-SD 3.55Å
52E97.9Very high93.2Very high20 Ų2043.2 Ų43.29%0.09322%0.219CC..EExtended strand (participates in β ladder)trans-152.9140.6-173.7-178.3172-134.800111.9K3 A4 L54 S79 R81K3-E52 CarbonylContact C-O 3.57Å; K3-E52 VanDerWaalsContact CA-O 3.3Å; K3-E52 WeakPolarHBondContact CA-O 3.38Å; K3-E52 HydrophobicContact CD-CB 4.17Å; K3-E52 VanDerWaalsContact CE-OE2 3.22Å; K3-E52 WeakPolarHBondContact CE-OE2 3.23Å; K3-E52 HydrophobicContact CG-CB 4.18Å; K3-E52 IonicContact NZ-OE2 3.47Å; K3-E52 PolarHBondContact NZ-OE2 2.91Å; A4-E52 PolarHBondContact N-O 2.92Å; E52-L54 HydrophobicContact CG-CD2 3.95Å; E52-L54 HydrophobicContact CG-CG 4.22Å; E52-S79 WeakPolarHBondContact CA-O 3.46Å; E52-R81 IonicContact OE1-CZ 3.1Å; E52-R81 IonicContact OE1-NE 2.7Å; E52-R81 PolarHBondContact OE1-NE 3.02Å; E52-R81 IonicContact OE1-NH2 2.72Å; E52-R81 PolarHBondContact OE1-NH2 3.37Å; E52-R81 IonicContact OE2-NH2 3.45Å; E52-R81 PolarHBondContact OE2-NH2 3.28Å
53I98.6Very high92.6Very high0 Ų049.4 Ų49.40%025%0.248CC..EExtended strand (participates in β ladder)trans-116.4126.1172-55.1175000108.5A4 I6 I41 C44 L50 L55 M78 S79 I80 R81A4-I53 HydrophobicContact CB-CG1 4.43Å; A4-I53 CarbonylContact O-C 3.54Å; A4-I53 WeakPolarHBondContact O-CA 3.43Å; I6-I53 HydrophobicContact CD1-CG2 3.67Å; I6-I53 HydrophobicContact CG1-CG2 4.13Å; I41-I53 HydrophobicContact CB-CD1 4.34Å; I41-I53 HydrophobicContact CG1-CD1 4.22Å; I41-I53 HydrophobicContact CG2-CD1 3.99Å; C44-I53 HydrophobicContact CB-CD1 3.63Å; C44-I53 HydrophobicContact CB-CG1 4.13Å; L50-I53 HydrophobicContact CD2-CD1 4.49Å; L50-I53 HydrophobicContact CD2-CG1 3.87Å; I53-L55 HydrophobicContact CG2-CD2 4.13Å; I53-M78 HydrophobicContact CD1-CG 3.95Å; I53-M78 HydrophobicContact CG1-CG 4.07Å; I53-S79 PolarHBondContact N-O 3.09Å; I53-I80 HydrophobicContact CB-CG1 4.31Å; I53-I80 HydrophobicContact CB-CG2 4.34Å; I53-I80 HydrophobicContact CD1-CG1 4.44Å; I53-I80 HydrophobicContact CG2-CG2 4.45Å; I53-I80 VanDerWaalsContact O-CA 3.31Å; I53-I80 WeakPolarHBondContact O-CA 3.31Å; I53-R81 PolarHBondContact O-N 3.4Å
54L98.3Very high92.1Very high0 Ų051.4 Ų51.40%026%0.256CS..EExtended strand (participates in β ladder)trans-110.9118.3176.9-60.1175000109A4 V5 I6 E52 R81 L83 I102A4-L54 PolarHBondContact O-N 2.87Å; V5-L54 CarbonylContact C-O 3.58Å; V5-L54 VanDerWaalsContact CA-O 3.23Å; V5-L54 WeakPolarHBondContact CA-O 3.17Å; V5-L54 HydrophobicContact CG2-CB 4.41Å; I6-L54 PolarHBondContact N-O 2.93Å; E52-L54 HydrophobicContact CG-CD2 3.95Å; E52-L54 HydrophobicContact CG-CG 4.22Å; L54-R81 CarbonylContact C-O 3.58Å; L54-R81 WeakPolarHBondContact CA-O 3.29Å; L54-R81 HydrophobicContact CD2-CB 4Å; L54-L83 HydrophobicContact CB-CD1 4.25Å; L54-L83 HydrophobicContact CD1-CD1 4.18Å; L54-L83 HydrophobicContact CD2-CD1 4.22Å; L54-L83 HydrophobicContact CG-CD1 4.45Å; L54-I102 HydrophobicContact CD1-CB 4.35Å; L54-I102 HydrophobicContact CD1-CG1 3.72Å
55L97.2Very high91.7Very high0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-87.7128.6170.2-52.9-169.2000108.5I6 I8 L37 I53 L69 I80 R81 Y82 L83I6-L55 HydrophobicContact CB-CD2 3.64Å; I6-L55 HydrophobicContact CD1-CD2 3.76Å; I6-L55 HydrophobicContact CG1-CD2 4.11Å; I6-L55 HydrophobicContact CG2-CD2 4.32Å; I6-L55 WeakPolarHBondContact O-CA 3.45Å; I8-L55 HydrophobicContact CD1-CB 4.31Å; L37-L55 HydrophobicContact CD1-CD1 3.96Å; L37-L55 HydrophobicContact CD2-CD2 4.25Å; I53-L55 HydrophobicContact CG2-CD2 4.13Å; L55-L69 HydrophobicContact CD1-CD2 3.4Å; L55-L69 HydrophobicContact CG-CD2 4.31Å; L55-I80 HydrophobicContact CG-CG2 4.38Å; L55-R81 PolarHBondContact N-O 2.88Å; L55-Y82 HydrophobicContact CB-CD2 3.94Å; L55-Y82 WeakPolarHBondContact O-CD2 3.44Å; L55-L83 PolarHBondContact O-N 2.92Å
56I95.4Very high91.5Very high1 Ų153.3 Ų53.31%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-119.3129176.6-57.9179.8000109.2V5 I6 L7 I8 L83 E85 F98 I102V5-I56 HydrophobicContact CG1-CD1 3.48Å; V5-I56 VanDerWaalsContact CG1-CD1 3.48Å; V5-I56 HydrophobicContact CG1-CG1 3.91Å; I6-I56 PolarHBondContact O-N 3.07Å; L7-I56 HydrophobicContact CD2-CB 4.09Å; I8-I56 VanDerWaalsContact CG1-O 3.26Å; I8-I56 WeakPolarHBondContact CG1-O 3.44Å; I8-I56 PolarHBondContact N-O 3.17Å; I56-L83 HydrophobicContact CG1-CB 4.25Å; I56-L83 HydrophobicContact CG1-CD1 4.37Å; I56-E85 HydrophobicContact CG2-CG 3.83Å; I56-F98 HydrophobicContact CD1-CB 4.34Å; I56-F98 HydrophobicContact CD1-CD2 4.13Å; I56-F98 HydrophobicContact CG1-CD2 4.29Å; I56-F98 HydrophobicContact CG2-CD2 4.04Å; I56-F98 HydrophobicContact CG2-CE2 4.19Å; I56-I102 HydrophobicContact CD1-CD1 4.34Å
57G91.8Very high91.4Very high0 Ų053.3 Ų53.30%026%0.261CS..EExtended strand (participates in β ladder)trans178-176.5174.500000114.1G9 Y82 L83 Q84 E85G9-G57 CarbonylContact O-C 3.55Å; G9-G57 VanDerWaalsContact O-CA 3.22Å; G9-G57 WeakPolarHBondContact O-CA 3.28Å; G57-Y82 VanDerWaalsContact C-OH 3.23Å; G57-Y82 PolarHBondContact O-OH 3.02Å; G57-L83 PolarHBondContact N-O 3.29Å; G57-Q84 WeakPolarHBondContact O-CA 3.47Å; G57-E85 VanDerWaalsContact CA-OE2 3.27Å; G57-E85 WeakPolarHBondContact CA-OE2 2.98Å; G57-E85 PolarHBondContact O-N 3.19Å
58F85.6Confident91.3Very high72 Ų7254.1 Ų54.132%0.31626%0.264SS..  trans-112.137-170.7-173.2-108000112.2G9 P11 E85 F86G9-F58 PolarHBondContact O-N 2.83Å; P11-F58 WeakPolarHBondContact CD-O 3.09Å; F58-E85 HydrophobicContact CB-CB 4.45Å; F58-E85 HydrophobicContact CD2-CB 4.4Å; F58-E85 WeakPolarHBondContact CD2-O 3.47Å; F58-F86 VanDerWaalsContact CE2-O 3.31Å; F58-F86 WeakPolarHBondContact CE2-O 3.41Å
59Y83.4Confident91.4Very high23 Ų2351.2 Ų51.29%0.0924%0.244CC..PPolyproline II helixtrans-89.8139.7170-70.5-86.7000109.4I8 G9 P11 P25 P27 P61 Y82I8-Y59 HydrophobicContact CD1-CD2 4.07Å; I8-Y59 HydrophobicContact CG1-CD2 4.45Å; I8-Y59 WeakPolarHBondContact O-CE2 3.32Å; G9-Y59 WeakPolarHBondContact O-CD2 3.46Å; G9-Y59 VanDerWaalsContact O-CE2 3.27Å; G9-Y59 WeakPolarHBondContact O-CE2 3.42Å; P11-Y59 HydrophobicContact CB-CE1 4.35Å; P25-Y59 HydrophobicContact CB-CD1 3.89Å; P25-Y59 HydrophobicContact CB-CE1 3.65Å; P25-Y59 HydrophobicContact CG-CD1 4.2Å; P25-Y59 HydrophobicContact CG-CE1 4.36Å; P27-Y59 WeakPolarHBondContact CD-OH 3.48Å; P27-Y59 HydrophobicContact CG-CE2 3.95Å; Y59-P61 WeakPolarHBondContact O-CD 3.09Å; Y59-Y82 PolarHBondContact N-OH 3.16Å; Y59-Y82 PolarHBondContact O-OH 3.44Å
60Q82.1Confident91.4Very high164 Ų16451.8 Ų51.877%0.76624%0.241SC*.PPolyproline II helixtrans-68126.3163.5-70.9-176.3-21.200107.4N62Q60-N62 PolarHBondContact O-N 2.85Å
61P77.1Confident91.3Very high61 Ų6155.4 Ų55.440%0.39626%0.261SS..PPolyproline II helixtrans-53.2117.8174.6-23.230.4000109.3Y59 Y82Y59-P61 WeakPolarHBondContact O-CD 3.09Å; P61-Y82 HydrophobicContact CG-CD1 4.13Å; P61-Y82 HydrophobicContact CG-CE1 3.92Å
62N82.7Confident91.3Very high54 Ų5449.9 Ų49.929%0.28924%0.238SC..  trans-115.1171176.669.7-2.2000109.6Q60 E64 L65 N66Q60-N62 PolarHBondContact O-N 2.85Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 PolarHBondContact OD1-N 3.38Å; N62-L65 PolarHBondContact O-N 2.94Å; N62-L65 VanDerWaalsContact OD1-CB 3.29Å; N62-L65 WeakPolarHBondContact OD1-CB 3.47Å; N62-L65 PolarHBondContact OD1-N 3.49Å; N62-N66 WeakPolarHBondContact O-CB 3.44Å; N62-N66 PolarHBondContact O-N 2.98Å; N62-N66 VanDerWaalsContact O-N 3.1Å; N62-N66 PolarHBondContact O-ND2 2.77Å
63E84.8Confident91.3Very high143 Ų14352.2 Ų52.267%0.66825%0.248SC*.Hα-helixtrans-56.3-39.7-179.9-168-169.7142.900111.8N66 R67E63-N66 PolarHBondContact O-N 2.79Å; E63-R67 WeakPolarHBondContact O-CB 3.39Å; E63-R67 PolarHBondContact O-N 3.19Å; E63-R67 IonicContact OE1-NH1 2.73Å; E63-R67 PolarHBondContact OE1-NH1 3.01Å
64E87.3Confident91.2Very high53 Ų5358.3 Ų58.325%0.24828%0.277CS..Hα-helixtrans-64.6-49-177.8-56.7-169.9137.500113.3P25 L28 N62 R67 F68P25-E64 WeakPolarHBondContact CD-OE2 3.41Å; L28-E64 HydrophobicContact CD1-CB 4.14Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 PolarHBondContact OD1-N 3.38Å; E64-R67 PolarHBondContact O-N 3.06Å; E64-F68 WeakPolarHBondContact O-CB 3.38Å; E64-F68 PolarHBondContact O-N 3.18Å
65L90.3Very high91.1Very high4 Ų463.7 Ų63.72%0.02130%0.302CS..Hα-helixtrans-63.9-45178.3-178.561.6000110.3L28 N62 R67 F68 L69 Y82L28-L65 HydrophobicContact CD1-CB 4.19Å; L28-L65 HydrophobicContact CD1-CD1 4.29Å; L28-L65 HydrophobicContact CD2-CD1 4.28Å; N62-L65 PolarHBondContact O-N 2.94Å; N62-L65 VanDerWaalsContact OD1-CB 3.29Å; N62-L65 WeakPolarHBondContact OD1-CB 3.47Å; N62-L65 PolarHBondContact OD1-N 3.49Å; L65-R67 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.27Å; L65-L69 HydrophobicContact CD1-CD1 4.2Å; L65-L69 HydrophobicContact CD1-CG 4.26Å; L65-L69 HydrophobicContact CG-CD1 4.01Å; L65-L69 HydrophobicContact CG-CG 4.47Å; L65-L69 WeakPolarHBondContact O-CG 3.47Å; L65-L69 PolarHBondContact O-N 3.1Å; L65-Y82 HydrophobicContact CD2-CD1 3.82Å; L65-Y82 HydrophobicContact CD2-CE1 3.9Å; L65-Y82 HydrophobicContact CD2-CG 4.19Å
66N92.1Very high91Very high85 Ų8565.4 Ų65.446%0.45531%0.31SS..Hα-helixtrans-62.1-44178.6-70.5-23.7000111.8N62 E63 L69 F70N62-N66 WeakPolarHBondContact O-CB 3.44Å; N62-N66 PolarHBondContact O-N 2.98Å; N62-N66 VanDerWaalsContact O-N 3.1Å; N62-N66 PolarHBondContact O-ND2 2.77Å; E63-N66 PolarHBondContact O-N 2.79Å; N66-L69 PolarHBondContact O-N 2.73Å; N66-F70 WeakPolarHBondContact O-CB 3.31Å; N66-F70 PolarHBondContact O-N 2.93Å
67R93.8Very high91.1Very high122 Ų12274.6 Ų74.646%0.4635%0.349SS..Hα-helixtrans-63.2-43.9176.6-177.3172.564.6-1371.6111.5E63 E64 L65 F70 N71E63-R67 WeakPolarHBondContact O-CB 3.39Å; E63-R67 PolarHBondContact O-N 3.19Å; E63-R67 IonicContact OE1-NH1 2.73Å; E63-R67 PolarHBondContact OE1-NH1 3.01Å; E64-R67 PolarHBondContact O-N 3.06Å; L65-R67 PolarHBondContact O-N 2.87Å; R67-F70 PolarHBondContact O-N 2.79Å; R67-N71 WeakPolarHBondContact O-CB 3.25Å; R67-N71 VanDerWaalsContact O-CG 3.22Å; R67-N71 PolarHBondContact O-N 3.04Å; R67-N71 PolarHBondContact O-ND2 3.43Å
68F95.2Very high91.3Very high23 Ų2375.7 Ų75.710%0.10136%0.355CS..Hα-helixtrans-59.1-49175.2171.8-100.6000111.5L28 P35 L37 Q38 I41 E64 L65 F70 N71 A72L28-F68 HydrophobicContact CD2-CB 3.95Å; L28-F68 HydrophobicContact CD2-CD1 3.6Å; L28-F68 HydrophobicContact CD2-CD2 4.15Å; L28-F68 HydrophobicContact CD2-CE1 4.14Å; L28-F68 HydrophobicContact CD2-CG 3.6Å; P35-F68 HydrophobicContact CB-CD2 4.24Å; P35-F68 HydrophobicContact CB-CE2 3.77Å; P35-F68 HydrophobicContact CB-CZ 4.34Å; P35-F68 HydrophobicContact CG-CD2 3.9Å; P35-F68 HydrophobicContact CG-CE2 3.72Å; L37-F68 HydrophobicContact CB-CE1 3.72Å; L37-F68 HydrophobicContact CB-CZ 3.74Å; L37-F68 HydrophobicContact CD1-CE1 4.06Å; Q38-F68 HydrophobicContact CB-CE2 4.25Å; Q38-F68 HydrophobicContact CB-CZ 4.28Å; I41-F68 HydrophobicContact CD1-CE1 3.83Å; I41-F68 HydrophobicContact CD1-CZ 3.82Å; E64-F68 WeakPolarHBondContact O-CB 3.38Å; E64-F68 PolarHBondContact O-N 3.18Å; L65-F68 PolarHBondContact O-N 3.27Å; F68-F70 PolarHBondContact O-N 3.48Å; F68-N71 PolarHBondContact O-N 2.82Å; F68-A72 HydrophobicContact CZ-CB 4.49Å; F68-A72 WeakPolarHBondContact O-CB 3.42Å; F68-A72 PolarHBondContact O-N 3.28Å
69L95.6Very high91.8Very high11 Ų1174.5 Ų74.56%0.05836%0.356CS..Hα-helixtrans-62.6-45.4-179.4-65.8170.9000111.7L55 L65 N66 N71 A72 Q73 I80L55-L69 HydrophobicContact CD1-CD2 3.4Å; L55-L69 HydrophobicContact CG-CD2 4.31Å; L65-L69 HydrophobicContact CD1-CD1 4.2Å; L65-L69 HydrophobicContact CD1-CG 4.26Å; L65-L69 HydrophobicContact CG-CD1 4.01Å; L65-L69 HydrophobicContact CG-CG 4.47Å; L65-L69 WeakPolarHBondContact O-CG 3.47Å; L65-L69 PolarHBondContact O-N 3.1Å; N66-L69 PolarHBondContact O-N 2.73Å; L69-N71 VanDerWaalsContact C-N 3.34Å; L69-N71 PolarHBondContact O-N 3.36Å; L69-A72 PolarHBondContact O-N 2.77Å; L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 VanDerWaalsContact O-CG 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.44Å; L69-Q73 PolarHBondContact O-N 3.22Å; L69-I80 HydrophobicContact CD2-CG2 3.73Å
70F95.7Very high92.5Very high124 Ų12473.6 Ų73.654%0.54435%0.352SS..Hα-helixtrans-56.5-49.1176.2179.2-95.8000111.6N66 R67 F68 Q73 Q74N66-F70 WeakPolarHBondContact O-CB 3.31Å; N66-F70 PolarHBondContact O-N 2.93Å; R67-F70 PolarHBondContact O-N 2.79Å; F68-F70 PolarHBondContact O-N 3.48Å; F70-Q73 PolarHBondContact O-N 2.96Å; F70-Q74 HydrophobicContact CE1-CG 4.24Å; F70-Q74 HydrophobicContact CZ-CG 4.28Å; F70-Q74 WeakPolarHBondContact O-CG 3.49Å; F70-Q74 PolarHBondContact O-N 2.92Å
71N96.3Very high93.1Very high85 Ų8570.3 Ų70.346%0.45533%0.333SS..Hα-helixtrans-63-45.4178.9-69.6-13.9000111.8R67 F68 L69 Q73 Q74 E75R67-N71 WeakPolarHBondContact O-CB 3.25Å; R67-N71 VanDerWaalsContact O-CG 3.22Å; R67-N71 PolarHBondContact O-N 3.04Å; R67-N71 PolarHBondContact O-ND2 3.43Å; F68-N71 PolarHBondContact O-N 2.82Å; L69-N71 VanDerWaalsContact C-N 3.34Å; L69-N71 PolarHBondContact O-N 3.36Å; N71-Q73 VanDerWaalsContact C-N 3.33Å; N71-Q73 PolarHBondContact O-N 3.15Å; N71-Q74 PolarHBondContact O-N 3.34Å; N71-E75 WeakPolarHBondContact O-CB 3.35Å; N71-E75 PolarHBondContact O-N 3.39Å
72A97.1Very high94Very high3 Ų369.2 Ų69.23%0.02532%0.321CS..Hα-helixtrans-62.3-39.617900000112I41 F68 L69 Q74 F76 I80I41-A72 HydrophobicContact CD1-CB 4.29Å; F68-A72 HydrophobicContact CZ-CB 4.49Å; F68-A72 WeakPolarHBondContact O-CB 3.42Å; F68-A72 PolarHBondContact O-N 3.28Å; L69-A72 PolarHBondContact O-N 2.77Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.3Å; A72-F76 HydrophobicContact CB-CD2 4.13Å; A72-F76 HydrophobicContact CB-CE2 4.33Å; A72-F76 WeakPolarHBondContact O-CB 3.39Å; A72-F76 WeakPolarHBondContact O-CD2 3.5Å; A72-F76 PolarHBondContact O-N 3.03Å; A72-I80 HydrophobicContact CB-CD1 3.82Å
73Q96.9Very high94.6Very high68 Ų6867.5 Ų67.532%0.31831%0.312SS..Hα-helixtrans-62.1-40.6175.5-72.7-177.1-91.300112.1L69 F70 N71 K77 I80L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 VanDerWaalsContact O-CG 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.44Å; L69-Q73 PolarHBondContact O-N 3.22Å; F70-Q73 PolarHBondContact O-N 2.96Å; N71-Q73 VanDerWaalsContact C-N 3.33Å; N71-Q73 PolarHBondContact O-N 3.15Å; Q73-K77 WeakPolarHBondContact O-CA 3.06Å; Q73-K77 PolarHBondContact O-N 3.24Å; Q73-I80 HydrophobicContact CG-CB 3.78Å; Q73-I80 HydrophobicContact CG-CD1 4.3Å; Q73-I80 HydrophobicContact CG-CG1 4.02Å
74Q96.6Very high95Very high128 Ų12863 Ų6360%0.59829%0.291SS*.Hα-helixtrans-70.6-46.1178.1-65.6-58.2-46.400112F70 N71 A72F70-Q74 HydrophobicContact CE1-CG 4.24Å; F70-Q74 HydrophobicContact CZ-CG 4.28Å; F70-Q74 WeakPolarHBondContact O-CG 3.49Å; F70-Q74 PolarHBondContact O-N 2.92Å; N71-Q74 PolarHBondContact O-N 3.34Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.3Å
75E96.1Very high95.2Very high114 Ų11461.1 Ų61.153%0.53328%0.282SS..Hα-helixtrans-63.8-50-178.1-175.9176.6171.200111.5N71N71-E75 WeakPolarHBondContact O-CB 3.35Å; N71-E75 PolarHBondContact O-N 3.39Å
76F96.3Very high95Very high36 Ų3668.8 Ų68.816%0.15832%0.315CS..Hα-helixtrans-91.6-6.1-175.1-60.1-64000114.2Q38 I41 E42 V45 A72 M78Q38-F76 HydrophobicContact CG-CE2 4.29Å; Q38-F76 HydrophobicContact CG-CZ 4.06Å; I41-F76 HydrophobicContact CG2-CD2 3.47Å; I41-F76 VanDerWaalsContact CG2-CD2 3.47Å; I41-F76 HydrophobicContact CG2-CE2 3.8Å; I41-F76 HydrophobicContact CG2-CG 4.03Å; E42-F76 HydrophobicContact CG-CE1 3.57Å; E42-F76 HydrophobicContact CG-CZ 3.55Å; V45-F76 HydrophobicContact CG2-CB 3.83Å; V45-F76 HydrophobicContact CG2-CD1 4.32Å; V45-F76 HydrophobicContact CG2-CG 4.14Å; A72-F76 HydrophobicContact CB-CD2 4.13Å; A72-F76 HydrophobicContact CB-CE2 4.33Å; A72-F76 WeakPolarHBondContact O-CB 3.39Å; A72-F76 WeakPolarHBondContact O-CD2 3.5Å; A72-F76 PolarHBondContact O-N 3.03Å; F76-M78 HydrophobicContact CB-CB 4.25Å; F76-M78 PolarHBondContact O-N 2.86Å
77K95.9Very high94.6Very high193 Ų19365.2 Ų65.284%0.83930%0.298SS*.THydrogen-bonded Turntrans50.539.5-176-57.2-179.9-178.3176.40112.4Q73Q73-K77 WeakPolarHBondContact O-CA 3.06Å; Q73-K77 PolarHBondContact O-N 3.24Å
78M96.3Very high94Very high23 Ų2362.9 Ų62.911%0.11330%0.304CS..  trans-118.5143.5-175.2-174.962.370.900110.1V45 L50 K51 I53 F76 I80V45-M78 HydrophobicContact CB-CE 4.44Å; V45-M78 HydrophobicContact CG2-CB 4.29Å; V45-M78 HydrophobicContact CG2-CE 3.97Å; V45-M78 HydrophobicContact CG2-CG 4.41Å; L50-M78 HydrophobicContact CD2-CE 3.81Å; L50-M78 HydrophobicContact CD2-SD 3.84Å; L50-M78 WeakPolarHBondContact O-CE 3.11Å; K51-M78 VanDerWaalsContact C-SD 3.55Å; I53-M78 HydrophobicContact CD1-CG 3.95Å; I53-M78 HydrophobicContact CG1-CG 4.07Å; F76-M78 HydrophobicContact CB-CB 4.25Å; F76-M78 PolarHBondContact O-N 2.86Å; M78-I80 HydrophobicContact CB-CG1 4.29Å; M78-I80 HydrophobicContact CG-CG1 4.24Å; M78-I80 PolarHBondContact O-N 3.41Å
79S96.6Very high93.5Very high48 Ų4862.2 Ų62.234%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-71.7117.8169.9-175.90000109.3E52 I53E52-S79 WeakPolarHBondContact CA-O 3.46Å; I53-S79 PolarHBondContact N-O 3.09Å
80I97.8Very high93Very high3 Ų363.6 Ų63.62%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-128.5120.5178.9-49.1176.5000107.5I41 I53 L55 L69 A72 Q73 M78I41-I80 HydrophobicContact CD1-CD1 4.09Å; I41-I80 HydrophobicContact CG1-CD1 4.41Å; I41-I80 HydrophobicContact CG2-CD1 3.93Å; I53-I80 HydrophobicContact CB-CG1 4.31Å; I53-I80 HydrophobicContact CB-CG2 4.34Å; I53-I80 HydrophobicContact CD1-CG1 4.44Å; I53-I80 HydrophobicContact CG2-CG2 4.45Å; I53-I80 VanDerWaalsContact O-CA 3.31Å; I53-I80 WeakPolarHBondContact O-CA 3.31Å; L55-I80 HydrophobicContact CG-CG2 4.38Å; L69-I80 HydrophobicContact CD2-CG2 3.73Å; A72-I80 HydrophobicContact CB-CD1 3.82Å; Q73-I80 HydrophobicContact CG-CB 3.78Å; Q73-I80 HydrophobicContact CG-CD1 4.3Å; Q73-I80 HydrophobicContact CG-CG1 4.02Å; M78-I80 HydrophobicContact CB-CG1 4.29Å; M78-I80 HydrophobicContact CG-CG1 4.24Å; M78-I80 PolarHBondContact O-N 3.41Å
81R95.9Very high92.6Very high95 Ų9559.4 Ų59.436%0.35830%0.304SS..EExtended strand (participates in β ladder)trans-126.4143.5-179.4-63.6-169.6-68.4154.4-3.1111.1E52 I53 L54 L55E52-R81 IonicContact OE1-CZ 3.1Å; E52-R81 IonicContact OE1-NE 2.7Å; E52-R81 PolarHBondContact OE1-NE 3.02Å; E52-R81 IonicContact OE1-NH2 2.72Å; E52-R81 PolarHBondContact OE1-NH2 3.37Å; E52-R81 IonicContact OE2-NH2 3.45Å; E52-R81 PolarHBondContact OE2-NH2 3.28Å; I53-R81 PolarHBondContact O-N 3.4Å; L54-R81 CarbonylContact C-O 3.58Å; L54-R81 WeakPolarHBondContact CA-O 3.29Å; L54-R81 HydrophobicContact CD2-CB 4Å; L55-R81 PolarHBondContact N-O 2.88Å
82Y95.9Very high92.2Very high38 Ų3855.3 Ų55.315%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-97.8127.3170.9178.9-133.3000110.7I8 L55 G57 Y59 P61 L65 Q84I8-Y82 HydrophobicContact CD1-CD2 4.02Å; I8-Y82 HydrophobicContact CD1-CE2 3.66Å; I8-Y82 HydrophobicContact CG1-CE2 4.31Å; L55-Y82 HydrophobicContact CB-CD2 3.94Å; L55-Y82 WeakPolarHBondContact O-CD2 3.44Å; G57-Y82 VanDerWaalsContact C-OH 3.23Å; G57-Y82 PolarHBondContact O-OH 3.02Å; Y59-Y82 PolarHBondContact N-OH 3.16Å; Y59-Y82 PolarHBondContact O-OH 3.44Å; P61-Y82 HydrophobicContact CG-CD1 4.13Å; P61-Y82 HydrophobicContact CG-CE1 3.92Å; L65-Y82 HydrophobicContact CD2-CD1 3.82Å; L65-Y82 HydrophobicContact CD2-CE1 3.9Å; L65-Y82 HydrophobicContact CD2-CG 4.19Å; Y82-Q84 HydrophobicContact CE1-CB 3.89Å; Y82-Q84 HydrophobicContact CE1-CG 4.4Å
83L95Very high91.9Very high18 Ų1855.3 Ų55.39%0.09428%0.282CS..EExtended strand (participates in β ladder)trans-111105.3175.2-54.9-177.9000108.1L54 L55 I56 G57 F98 Q101L54-L83 HydrophobicContact CB-CD1 4.25Å; L54-L83 HydrophobicContact CD1-CD1 4.18Å; L54-L83 HydrophobicContact CD2-CD1 4.22Å; L54-L83 HydrophobicContact CG-CD1 4.45Å; L55-L83 PolarHBondContact O-N 2.92Å; I56-L83 HydrophobicContact CG1-CB 4.25Å; I56-L83 HydrophobicContact CG1-CD1 4.37Å; G57-L83 PolarHBondContact N-O 3.29Å; L83-F98 HydrophobicContact CB-CD1 4.08Å; L83-F98 HydrophobicContact CB-CD2 3.83Å; L83-F98 HydrophobicContact CB-CE1 4.02Å; L83-F98 HydrophobicContact CB-CE2 3.76Å; L83-F98 HydrophobicContact CB-CG 4Å; L83-F98 HydrophobicContact CB-CZ 3.86Å; L83-F98 HydrophobicContact CD1-CB 3.72Å; L83-F98 HydrophobicContact CD1-CD1 3.99Å; L83-F98 HydrophobicContact CD1-CD2 4.22Å; L83-F98 HydrophobicContact CD1-CG 3.72Å; L83-F98 HydrophobicContact CG-CD1 4.45Å; L83-F98 HydrophobicContact CG-CG 4.44Å; L83-Q101 HydrophobicContact CD1-CB 4.11Å
84Q93.4Very high91.7Very high48 Ų4852.2 Ų52.222%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-80.4121.1-176.1179.1-178.41.800111G57 Y82 F98G57-Q84 WeakPolarHBondContact O-CA 3.47Å; Y82-Q84 HydrophobicContact CE1-CB 3.89Å; Y82-Q84 HydrophobicContact CE1-CG 4.4Å; Q84-F98 WeakPolarHBondContact O-CZ 3.33Å
85E89.6Confident91.6Very high15 Ų1546.1 Ų46.17%0.0724%0.24CC..  trans-74.4143.9162.9-60175.3105.200109.4I56 G57 F58 A87 L89 G94 F98I56-E85 HydrophobicContact CG2-CG 3.83Å; G57-E85 VanDerWaalsContact CA-OE2 3.27Å; G57-E85 WeakPolarHBondContact CA-OE2 2.98Å; G57-E85 PolarHBondContact O-N 3.19Å; F58-E85 HydrophobicContact CB-CB 4.45Å; F58-E85 HydrophobicContact CD2-CB 4.4Å; F58-E85 WeakPolarHBondContact CD2-O 3.47Å; E85-A87 WeakPolarHBondContact CB-O 3.48Å; E85-L89 WeakPolarHBondContact OE1-CB 3.39Å; E85-G94 VanDerWaalsContact OE1-CA 3.25Å; E85-G94 WeakPolarHBondContact OE1-CA 3.38Å; E85-F98 HydrophobicContact CG-CE2 4.05Å
86F86.1Confident91.6Very high164 Ų16442.3 Ų42.372%0.71922%0.221SC*.SBendtrans-100.95.1170.8-65.3-79.3000112.6F58F58-F86 VanDerWaalsContact CE2-O 3.31Å; F58-F86 WeakPolarHBondContact CE2-O 3.41Å
87A84.3Confident91.6Very high10 Ų1045.1 Ų45.18%0.08323%0.234CC..SBendtrans-153.1159.4-17800000110.6E85 L89E85-A87 WeakPolarHBondContact CB-O 3.48Å; A87-L89 HydrophobicContact CB-CD2 3.69Å; A87-L89 HydrophobicContact CB-CG 4.32Å; A87-L89 PolarHBondContact O-N 3.12Å
88A81.9Confident91.6Very high73 Ų7336.8 Ų36.860%0.60320%0.198SC*.  trans-79.396.7170.400000110G90A88-G90 VanDerWaalsContact C-N 3.33Å; A88-G90 PolarHBondContact O-N 3.11Å
89L84.8Confident91.7Very high9 Ų939.4 Ų39.45%0.04721%0.207CC..  trans-91.414.9-176.4-53.6-175.2000113.7E85 A87 G93 H97 E220 A221 I222E85-L89 WeakPolarHBondContact OE1-CB 3.39Å; A87-L89 HydrophobicContact CB-CD2 3.69Å; A87-L89 HydrophobicContact CB-CG 4.32Å; A87-L89 PolarHBondContact O-N 3.12Å; L89-G93 WeakPolarHBondContact O-CA 3.21Å; L89-G93 PolarHBondContact O-N 3.37Å; L89-G93 VanDerWaalsContact O-N 3.09Å; L89-H97 HydrophobicContact CD1-CB 3.91Å; L89-E220 HydrophobicContact CD2-CB 3.62Å; L89-A221 WeakPolarHBondContact O-CA 3.49Å; L89-I222 PolarHBondContact O-N 3.36Å
90G85.2Confident91.7Very high41 Ų4142 Ų4242%0.42322%0.217SC..BIsolated β-bridgetrans74.8-165.3-175.400000113.1A88 I222A88-G90 VanDerWaalsContact C-N 3.33Å; A88-G90 PolarHBondContact O-N 3.11Å; G90-I222 CarbonylContact C-O 3.51Å; G90-I222 WeakPolarHBondContact CA-O 3.42Å
91T86.5Confident91.7Very high35 Ų3545 Ų4522%0.21523%0.231CC..THydrogen-bonded Turntrans-84.5-21.8-177.650.20000112.9L7 I95 I222 R223 L224 E225L7-T91 WeakPolarHBondContact CD1-O 3.25Å; T91-I95 WeakPolarHBondContact O-CD1 3.49Å; T91-I222 PolarHBondContact N-O 3.38Å; T91-R223 WeakPolarHBondContact OG1-CA 3.37Å; T91-L224 PolarHBondContact OG1-N 2.82Å; T91-E225 PolarHBondContact OG1-OE2 3.35Å
92G89.1Confident91.8Very high0 Ų040.5 Ų40.50%021%0.214CC..THydrogen-bonded Turntrans-109.7-21.9178.600000114.5I95 Y96 I222G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 3.49Å; G92-Y96 PolarHBondContact O-N 3.32Å; G92-I222 PolarHBondContact N-O 3.12Å
93G89.9Confident91.9Very high3 Ų341.3 Ų41.33%0.03122%0.22CC..Hα-helixtrans-69.5-38.9-173.900000113.4L89 I95 Y96 H97 E220L89-G93 WeakPolarHBondContact O-CA 3.21Å; L89-G93 PolarHBondContact O-N 3.37Å; L89-G93 VanDerWaalsContact O-N 3.09Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 3.25Å; G93-Y96 PolarHBondContact O-N 2.89Å; G93-H97 VanDerWaalsContact O-CB 3.31Å; G93-H97 WeakPolarHBondContact O-CB 3.48Å; G93-H97 PolarHBondContact O-N 3.05Å; G93-E220 WeakPolarHBondContact CA-O 3.34Å
94G92.5Very high92Very high2 Ų243.8 Ų43.82%0.02124%0.239CC..Hα-helixtrans-62.2-38.4173.200000112.6E85 H97 F98E85-G94 VanDerWaalsContact OE1-CA 3.25Å; E85-G94 WeakPolarHBondContact OE1-CA 3.38Å; G94-H97 PolarHBondContact O-N 3.41Å; G94-F98 VanDerWaalsContact O-CD2 3.31Å; G94-F98 WeakPolarHBondContact O-CD2 3.44Å; G94-F98 PolarHBondContact O-N 3.03Å
95I95.3Very high92Very high0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-61.3-46.8174.7-57.7176.2000109.8L7 T91 G92 G93 F98 R99 I102 F110 V112 F193 I196 L224L7-I95 HydrophobicContact CD1-CD1 4.3Å; L7-I95 HydrophobicContact CD2-CD1 4.36Å; L7-I95 HydrophobicContact CD2-CG1 4Å; T91-I95 WeakPolarHBondContact O-CD1 3.49Å; G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 3.49Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 3.25Å; I95-F98 CarbonylContact O-C 3.54Å; I95-R99 PolarHBondContact O-N 3.49Å; I95-R99 VanDerWaalsContact O-N 3.14Å; I95-I102 HydrophobicContact CG2-CD1 3.9Å; I95-I102 WeakPolarHBondContact O-CD1 3.3Å; I95-F110 HydrophobicContact CG2-CE2 4.36Å; I95-V112 HydrophobicContact CD1-CG1 3.78Å; I95-V112 HydrophobicContact CD1-CG2 4.12Å; I95-F193 HydrophobicContact CG2-CE1 3.83Å; I95-F193 HydrophobicContact CG2-CZ 4.26Å; I95-I196 HydrophobicContact CG2-CD1 4.4Å; I95-L224 HydrophobicContact CD1-CD1 3.87Å
96Y95.9Very high92.3Very high34 Ų3448.2 Ų48.213%0.13329%0.285CS..Hα-helixtrans-69.2-38.5179.1-168.9-109.2000113.4G92 G93 F98 R99 F193 I196 G197 F200G92-Y96 PolarHBondContact O-N 3.32Å; G93-Y96 PolarHBondContact O-N 2.89Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.96Å; Y96-R99 WeakPolarHBondContact O-CB 3.41Å; Y96-R99 VanDerWaalsContact O-CD 3.29Å; Y96-R99 WeakPolarHBondContact O-CD 3.35Å; Y96-R99 VanDerWaalsContact O-CG 3.22Å; Y96-R99 WeakPolarHBondContact O-CG 3.15Å; Y96-R99 PolarHBondContact O-N 3.16Å; Y96-R99 PolarHBondContact O-NH1 3.47Å; Y96-F193 HydrophobicContact CD2-CD1 4.27Å; Y96-I196 HydrophobicContact CD2-CB 3.93Å; Y96-I196 HydrophobicContact CD2-CG2 3.74Å; Y96-I196 HydrophobicContact CG-CB 4.49Å; Y96-I196 HydrophobicContact CG-CG2 3.8Å; Y96-G197 VanDerWaalsContact CZ-CA 3.47Å; Y96-G197 WeakPolarHBondContact OH-CA 3.24Å; Y96-F200 HydrophobicContact CD1-CB 4.22Å; Y96-F200 HydrophobicContact CD1-CD2 4.16Å; Y96-F200 HydrophobicContact CD1-CG 4.06Å; Y96-F200 HydrophobicContact CE1-CB 3.87Å; Y96-F200 AromaticContact CE1-CD1 3.75Å; Y96-F200 HydrophobicContact CE1-CD1 3.75Å; Y96-F200 HydrophobicContact CE1-CD2 4.14Å; Y96-F200 HydrophobicContact CE1-CE1 4.28Å; Y96-F200 AromaticContact CE1-CG 3.64Å; Y96-F200 HydrophobicContact CE1-CG 3.64Å
97H95.3Very high92.8Very high95 Ų9540.6 Ų40.644%0.4425%0.252SS..Hα-helixtrans-60.7-43.9177.6-177.781.5000111L89 G93 G94L89-H97 HydrophobicContact CD1-CB 3.91Å; G93-H97 VanDerWaalsContact O-CB 3.31Å; G93-H97 WeakPolarHBondContact O-CB 3.48Å; G93-H97 PolarHBondContact O-N 3.05Å; G94-H97 PolarHBondContact O-N 3.41Å
98F96.9Very high93.3Very high18 Ų1846.9 Ų46.98%0.07928%0.28CS..THydrogen-bonded Turntrans-95.320179.7-65-62.9000114.5I56 L83 Q84 E85 G94 I95 Y96 D100 Q101 I102I56-F98 HydrophobicContact CD1-CB 4.34Å; I56-F98 HydrophobicContact CD1-CD2 4.13Å; I56-F98 HydrophobicContact CG1-CD2 4.29Å; I56-F98 HydrophobicContact CG2-CD2 4.04Å; I56-F98 HydrophobicContact CG2-CE2 4.19Å; L83-F98 HydrophobicContact CB-CD1 4.08Å; L83-F98 HydrophobicContact CB-CD2 3.83Å; L83-F98 HydrophobicContact CB-CE1 4.02Å; L83-F98 HydrophobicContact CB-CE2 3.76Å; L83-F98 HydrophobicContact CB-CG 4Å; L83-F98 HydrophobicContact CB-CZ 3.86Å; L83-F98 HydrophobicContact CD1-CB 3.72Å; L83-F98 HydrophobicContact CD1-CD1 3.99Å; L83-F98 HydrophobicContact CD1-CD2 4.22Å; L83-F98 HydrophobicContact CD1-CG 3.72Å; L83-F98 HydrophobicContact CG-CD1 4.45Å; L83-F98 HydrophobicContact CG-CG 4.44Å; Q84-F98 WeakPolarHBondContact O-CZ 3.33Å; E85-F98 HydrophobicContact CG-CE2 4.05Å; G94-F98 VanDerWaalsContact O-CD2 3.31Å; G94-F98 WeakPolarHBondContact O-CD2 3.44Å; G94-F98 PolarHBondContact O-N 3.03Å; I95-F98 CarbonylContact O-C 3.54Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.96Å; F98-D100 PolarHBondContact O-N 3.32Å; F98-Q101 VanDerWaalsContact C-OE1 3.22Å; F98-Q101 PolarHBondContact O-N 3.29Å; F98-Q101 VanDerWaalsContact O-N 3.1Å; F98-Q101 PolarHBondContact O-OE1 3.32Å; F98-Q101 VanDerWaalsContact O-OE1 3.06Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 3.28Å
99R97.6Very high93.9Very high79 Ų7943.7 Ų43.730%0.29825%0.253SS..Hα-helixtrans-54.9-37.2-176.768.1-168.9177.1-75.4-8.6112.9I95 Y96 Q101 I102 L103 F193I95-R99 PolarHBondContact O-N 3.49Å; I95-R99 VanDerWaalsContact O-N 3.14Å; Y96-R99 WeakPolarHBondContact O-CB 3.41Å; Y96-R99 VanDerWaalsContact O-CD 3.29Å; Y96-R99 WeakPolarHBondContact O-CD 3.35Å; Y96-R99 VanDerWaalsContact O-CG 3.22Å; Y96-R99 WeakPolarHBondContact O-CG 3.15Å; Y96-R99 PolarHBondContact O-N 3.16Å; Y96-R99 PolarHBondContact O-NH1 3.47Å; R99-Q101 PolarHBondContact O-N 3.44Å; R99-I102 PolarHBondContact O-N 3.02Å; R99-L103 VanDerWaalsContact O-CB 3.3Å; R99-L103 WeakPolarHBondContact O-CB 3.29Å; R99-L103 VanDerWaalsContact O-CG 3.25Å; R99-L103 WeakPolarHBondContact O-CG 3.26Å; R99-L103 PolarHBondContact O-N 3.13Å; R99-F193 HydrophobicContact CB-CD1 3.46Å; R99-F193 VanDerWaalsContact CB-CD1 3.46Å; R99-F193 HydrophobicContact CB-CE1 3.29Å; R99-F193 HydrophobicContact CB-CG 4.14Å; R99-F193 HydrophobicContact CB-CZ 3.88Å
100D97.4Very high94.5Very high103 Ų10343.2 Ų43.255%0.55125%0.251SS*.Hα-helixtrans-67.6-38.8-178.6-60.6-29000111.2F98 S104F98-D100 PolarHBondContact O-N 3.32Å; D100-S104 WeakPolarHBondContact O-CB 3.36Å; D100-S104 PolarHBondContact O-N 3.41Å
101Q97.8Very high95.2Very high66 Ų6641.3 Ų41.331%0.30823%0.231SC..Hα-helixtrans-69.8-38174.4-63.383.6-2.400111.7K3 L83 F98 R99 S104K3-Q101 PolarHBondContact NZ-O 3.41Å; L83-Q101 HydrophobicContact CD1-CB 4.11Å; F98-Q101 VanDerWaalsContact C-OE1 3.22Å; F98-Q101 PolarHBondContact O-N 3.29Å; F98-Q101 VanDerWaalsContact O-N 3.1Å; F98-Q101 PolarHBondContact O-OE1 3.32Å; F98-Q101 VanDerWaalsContact O-OE1 3.06Å; R99-Q101 PolarHBondContact O-N 3.44Å; Q101-S104 WeakPolarHBondContact O-CB 3.37Å
102I97.9Very high95.8Very high0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-63.3-48.5175.2-63.5165.4000109.4K3 V5 L54 I56 I95 F98 R99 S104 P107 F110 F193K3-I102 VanDerWaalsContact CD-O 3.26Å; K3-I102 WeakPolarHBondContact CD-O 3.27Å; K3-I102 WeakPolarHBondContact CE-O 3.29Å; K3-I102 PolarHBondContact NZ-O 3.45Å; V5-I102 HydrophobicContact CG2-CD1 3.88Å; V5-I102 HydrophobicContact CG2-CG1 3.89Å; V5-I102 HydrophobicContact CG2-CG2 4.4Å; L54-I102 HydrophobicContact CD1-CB 4.35Å; L54-I102 HydrophobicContact CD1-CG1 3.72Å; I56-I102 HydrophobicContact CD1-CD1 4.34Å; I95-I102 HydrophobicContact CG2-CD1 3.9Å; I95-I102 WeakPolarHBondContact O-CD1 3.3Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 3.28Å; R99-I102 PolarHBondContact O-N 3.02Å; I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.4Å; I102-P107 WeakPolarHBondContact O-CG 3.34Å; I102-F110 HydrophobicContact CG2-CD1 4.04Å; I102-F110 HydrophobicContact CG2-CD2 3.98Å; I102-F110 HydrophobicContact CG2-CE1 4.19Å; I102-F110 HydrophobicContact CG2-CE2 4.12Å; I102-F110 HydrophobicContact CG2-CG 3.92Å; I102-F110 HydrophobicContact CG2-CZ 4.22Å; I102-F193 HydrophobicContact CB-CZ 4.11Å; I102-F193 HydrophobicContact CD1-CE1 4.43Å; I102-F193 HydrophobicContact CD1-CZ 4.07Å; I102-F193 HydrophobicContact CG2-CE2 4.34Å; I102-F193 HydrophobicContact CG2-CZ 3.93Å
103L97.4Very high96.2Very high54 Ų5439.6 Ų39.628%0.28322%0.221SC..Hα-helixtrans-76-12.2-178.3-66.9174.4000114.6R99 G105 S106 P107 P190 F193R99-L103 VanDerWaalsContact O-CB 3.3Å; R99-L103 WeakPolarHBondContact O-CB 3.29Å; R99-L103 VanDerWaalsContact O-CG 3.25Å; R99-L103 WeakPolarHBondContact O-CG 3.26Å; R99-L103 PolarHBondContact O-N 3.13Å; L103-G105 PolarHBondContact O-N 2.84Å; L103-S106 PolarHBondContact O-N 3.2Å; L103-P107 WeakPolarHBondContact O-CD 3.27Å; L103-P190 HydrophobicContact CD2-CB 3.66Å; L103-P190 HydrophobicContact CD2-CG 3.8Å; L103-F193 HydrophobicContact CD1-CD2 3.83Å; L103-F193 HydrophobicContact CD1-CE2 4.01Å; L103-F193 HydrophobicContact CD2-CD2 3.93Å; L103-F193 HydrophobicContact CD2-CE2 3.63Å; L103-F193 HydrophobicContact CG-CD2 4.02Å; L103-F193 HydrophobicContact CG-CE2 3.69Å; L103-F193 HydrophobicContact CG-CZ 4.46Å
104S96.9Very high96.5Very high70 Ų7040.5 Ų40.549%0.4923%0.225SC..THydrogen-bonded Turntrans-55.4128.6177.1177.50000111.7K3 D100 Q101 I102 S106K3-S104 WeakPolarHBondContact CE-O 3.49Å; K3-S104 PolarHBondContact NZ-O 3.06Å; D100-S104 WeakPolarHBondContact O-CB 3.36Å; D100-S104 PolarHBondContact O-N 3.41Å; Q101-S104 WeakPolarHBondContact O-CB 3.37Å; I102-S104 VanDerWaalsContact C-N 3.31Å; I102-S104 PolarHBondContact O-N 3.4Å; S104-S106 VanDerWaalsContact C-N 3.34Å
105G94.6Very high96.6Very high52 Ų5240.7 Ų40.754%0.53623%0.226SC..THydrogen-bonded Turntrans81.711-174.900000114.3L103L103-G105 PolarHBondContact O-N 2.84Å
106S95.6Very high96.4Very high105 Ų10542.8 Ų42.873%0.73424%0.237SC*.  trans53.561.2172.8-570000113.1L103 S104L103-S106 PolarHBondContact O-N 3.2Å; S104-S106 VanDerWaalsContact C-N 3.34Å
107P95.8Very high96.4Very high4 Ų441.2 Ų41.23%0.02623%0.231CC..  trans-64.7142.7175.931.3-35.6000110.9M1 K3 I102 L103 P190M1-P107 CarbonylContact O-C 3.44Å; M1-P107 VanDerWaalsContact O-CA 3.25Å; M1-P107 WeakPolarHBondContact O-CA 3.4Å; K3-P107 HydrophobicContact CG-CB 4.18Å; I102-P107 WeakPolarHBondContact O-CG 3.34Å; L103-P107 WeakPolarHBondContact O-CD 3.27Å; P107-P190 WeakPolarHBondContact O-CG 3.34Å
108E94.3Very high96.5Very high142 Ų14236.7 Ų36.766%0.66421%0.21SC*.SBendtrans-72.6-42.2175-70.7155-128.900110.3M1 P190M1-E108 PolarHBondContact N-OE1 3.31Å; M1-E108 PolarHBondContact O-N 3.4Å; E108-P190 VanDerWaalsContact O-CD 3.28Å; E108-P190 WeakPolarHBondContact O-CD 3.22Å
109A95.5Very high96.5Very high5 Ų535.8 Ų35.84%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-151.2164.2175.500000110.5L2 K3 L187 F188L2-A109 WeakPolarHBondContact CA-O 3.12Å; L2-A109 HydrophobicContact CD2-CB 3.81Å; L2-A109 WeakPolarHBondContact CD2-O 3.35Å; K3-A109 PolarHBondContact N-O 2.72Å; A109-L187 HydrophobicContact CB-CD1 3.84Å; A109-F188 CarbonylContact C-O 3.52Å; A109-F188 WeakPolarHBondContact CA-O 3.27Å; A109-F188 VanDerWaalsContact CB-O 3.31Å; A109-F188 WeakPolarHBondContact CB-O 3.34Å
110F98.1Very high96.4Very high0 Ų033.3 Ų33.30%020%0.203CC..EExtended strand (participates in β ladder)trans-143.6141.7174.865-81.1000111.5K3 V5 I95 I102 V112 F188 I192 F193K3-F110 HydrophobicContact CB-CB 4.04Å; K3-F110 CarbonylContact O-C 3.59Å; K3-F110 WeakPolarHBondContact O-CA 3.46Å; V5-F110 HydrophobicContact CG2-CD2 4.06Å; I95-F110 HydrophobicContact CG2-CE2 4.36Å; I102-F110 HydrophobicContact CG2-CD1 4.04Å; I102-F110 HydrophobicContact CG2-CD2 3.98Å; I102-F110 HydrophobicContact CG2-CE1 4.19Å; I102-F110 HydrophobicContact CG2-CE2 4.12Å; I102-F110 HydrophobicContact CG2-CG 3.92Å; I102-F110 HydrophobicContact CG2-CZ 4.22Å; F110-V112 HydrophobicContact CD2-CG2 3.79Å; F110-V112 HydrophobicContact CE2-CG2 3.58Å; F110-F188 HydrophobicContact CD1-CB 4.37Å; F110-F188 HydrophobicContact CE1-CB 3.85Å; F110-F188 HydrophobicContact CE2-CB 4.13Å; F110-F188 AromaticContact CE2-CD2 3.96Å; F110-F188 HydrophobicContact CE2-CD2 3.96Å; F110-F188 HydrophobicContact CZ-CB 3.73Å; F110-F188 HydrophobicContact CZ-CD2 4.1Å; F110-F188 HydrophobicContact CZ-CG 4.42Å; F110-F188 PolarHBondContact N-O 3.41Å; F110-F188 PolarHBondContact O-N 2.87Å; F110-I192 HydrophobicContact CE1-CG2 4.07Å; F110-I192 HydrophobicContact CZ-CG2 3.71Å; F110-F193 AromaticContact CE1-CE2 3.71Å; F110-F193 HydrophobicContact CE1-CE2 3.71Å; F110-F193 HydrophobicContact CE1-CZ 4.07Å; F110-F193 HydrophobicContact CE2-CZ 4.48Å; F110-F193 AromaticContact CZ-CE2 3.78Å; F110-F193 HydrophobicContact CZ-CE2 3.78Å; F110-F193 AromaticContact CZ-CZ 3.68Å; F110-F193 HydrophobicContact CZ-CZ 3.68Å
111F98.6Very high96.4Very high0 Ų029.1 Ų29.10%018%0.18CC..EExtended strand (participates in β ladder)trans-80.9149.2172.5-67.7-85.8000110.7K3 A4 V5 V47 L50 L113 L123 M126 L127 Y186 L187K3-F111 PolarHBondContact O-N 3.38Å; A4-F111 CarbonylContact C-O 3.55Å; A4-F111 WeakPolarHBondContact CA-O 3.49Å; A4-F111 HydrophobicContact CB-CB 4.18Å; V5-F111 PolarHBondContact N-O 2.94Å; V47-F111 HydrophobicContact CG1-CE2 3.93Å; V47-F111 HydrophobicContact CG1-CZ 4.48Å; V47-F111 HydrophobicContact CG2-CE2 4.35Å; L50-F111 HydrophobicContact CD1-CD2 4.39Å; F111-L113 HydrophobicContact CB-CD1 3.74Å; F111-L123 HydrophobicContact CD1-CB 4.35Å; F111-L123 HydrophobicContact CD1-CD2 3.83Å; F111-L123 HydrophobicContact CD1-CG 4.5Å; F111-L123 HydrophobicContact CE1-CB 3.84Å; F111-L123 HydrophobicContact CE1-CD2 4.04Å; F111-L123 HydrophobicContact CE1-CG 4.45Å; F111-L123 WeakPolarHBondContact CE1-O 3.36Å; F111-L123 HydrophobicContact CG-CD2 4.49Å; F111-L123 HydrophobicContact CZ-CB 3.95Å; F111-L123 VanDerWaalsContact CZ-O 3.25Å; F111-L123 WeakPolarHBondContact CZ-O 3.41Å; F111-M126 HydrophobicContact CE1-CB 4.34Å; F111-L127 HydrophobicContact CZ-CB 4.23Å; F111-Y186 CarbonylContact C-O 3.55Å; F111-Y186 VanDerWaalsContact CA-O 3.29Å; F111-Y186 WeakPolarHBondContact CA-O 3.49Å; F111-L187 HydrophobicContact CD1-CB 4.18Å; F111-L187 HydrophobicContact CD1-CD1 4Å; F111-L187 HydrophobicContact CD2-CD1 4.26Å; F111-L187 HydrophobicContact CE1-CB 4.08Å; F111-L187 HydrophobicContact CE1-CD1 3.81Å; F111-L187 HydrophobicContact CE1-CD2 4.17Å; F111-L187 HydrophobicContact CE1-CG 4.25Å; F111-L187 HydrophobicContact CE2-CD1 4.04Å; F111-L187 HydrophobicContact CG-CD1 4.23Å; F111-L187 HydrophobicContact CZ-CD1 3.84Å; F111-L187 HydrophobicContact CZ-CD2 4.28Å
112V98.6Very high96.3Very high0 Ų026.3 Ų26.30%017%0.167CC..EExtended strand (participates in β ladder)trans-125.2125.1167.8179.40000108.3V5 L7 I95 F110 I185 Y186 F188V5-V112 HydrophobicContact CB-CG2 4.27Å; V5-V112 CarbonylContact O-C 3.52Å; V5-V112 VanDerWaalsContact O-CA 3.27Å; V5-V112 WeakPolarHBondContact O-CA 3.3Å; L7-V112 HydrophobicContact CD1-CG1 3.92Å; L7-V112 HydrophobicContact CG-CG1 4.03Å; I95-V112 HydrophobicContact CD1-CG1 3.78Å; I95-V112 HydrophobicContact CD1-CG2 4.12Å; F110-V112 HydrophobicContact CD2-CG2 3.79Å; F110-V112 HydrophobicContact CE2-CG2 3.58Å; V112-I185 CarbonylContact O-C 3.56Å; V112-I185 WeakPolarHBondContact O-CA 3.45Å; V112-Y186 HydrophobicContact CB-CD2 3.96Å; V112-Y186 HydrophobicContact CG1-CD2 3.95Å; V112-Y186 PolarHBondContact N-O 3.34Å; V112-Y186 PolarHBondContact O-N 2.83Å; V112-F188 HydrophobicContact CB-CD2 4.38Å; V112-F188 HydrophobicContact CB-CE2 4.15Å; V112-F188 HydrophobicContact CG2-CD2 3.56Å; V112-F188 HydrophobicContact CG2-CE2 3.72Å
113L98.4Very high96.4Very high0 Ų026.4 Ų26.40%017%0.168CC..EExtended strand (participates in β ladder)trans-128131.7-177.1-56.788.8000110.8A4 V5 I6 L7 F111 F121 L123 I185A4-L113 HydrophobicContact CB-CD1 4.27Å; V5-L113 PolarHBondContact O-N 3.49Å; I6-L113 CarbonylContact C-O 3.44Å; I6-L113 WeakPolarHBondContact CA-O 3.43Å; I6-L113 HydrophobicContact CG1-CB 4.46Å; I6-L113 HydrophobicContact CG1-CD1 4.34Å; L7-L113 PolarHBondContact N-O 3.1Å; F111-L113 HydrophobicContact CB-CD1 3.74Å; L113-F121 HydrophobicContact CD2-CD1 3.71Å; L113-F121 HydrophobicContact CD2-CE1 3.87Å; L113-L123 HydrophobicContact CD2-CD1 4.34Å; L113-L123 HydrophobicContact CD2-CD2 4.26Å; L113-I185 HydrophobicContact CG-CG1 4.47Å; L113-I185 HydrophobicContact CG-CG2 4.36Å
114N96.1Very high96.3Very high22 Ų2226 Ų2612%0.11817%0.167CC..EExtended strand (participates in β ladder)trans-77.5125168.8-74.5-25.8000110.6H40 D116 V117 G184H40-N114 PolarHBondContact NE2-O 3.46Å; N114-D116 PolarHBondContact O-N 3Å; N114-D116 VanDerWaalsContact O-N 3.09Å; N114-V117 HydrophobicContact CB-CG2 3.84Å; N114-V117 VanDerWaalsContact O-CB 3.3Å; N114-V117 WeakPolarHBondContact O-CB 3.37Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.17Å; N114-G184 PolarHBondContact N-O 3.1Å
115A94.3Very high96.3Very high6 Ų627 Ų275%0.0516%0.164CC..THydrogen-bonded Turntrans-67.6-12.5-17400000115.1I6 L7 I8 M36 L37 H40 V117I6-A115 HydrophobicContact CG2-CB 3.97Å; L7-A115 VanDerWaalsContact O-CB 3.23Å; L7-A115 WeakPolarHBondContact O-CB 3.16Å; L7-A115 PolarHBondContact O-N 3.01Å; I8-A115 HydrophobicContact CB-CB 4.24Å; I8-A115 HydrophobicContact CG2-CB 3.74Å; M36-A115 WeakPolarHBondContact CE-O 3.21Å; L37-A115 HydrophobicContact CD2-CB 4.26Å; H40-A115 PolarHBondContact CE1-O 3.49Å; A115-V117 VanDerWaalsContact C-N 3.32Å
116D92.3Very high96.4Very high44 Ų4424.5 Ų24.524%0.23514%0.139CC..THydrogen-bonded Turntrans-91.79.4174.370.2-15000113.4K26 N114 Q249 I250K26-D116 IonicContact NZ-OD2 3.05Å; N114-D116 PolarHBondContact O-N 3Å; N114-D116 VanDerWaalsContact O-N 3.09Å; D116-Q249 CarbonylContact O-C 3.52Å; D116-Q249 WeakPolarHBondContact O-CA 3.39Å; D116-I250 PolarHBondContact O-N 2.88Å
117V95.4Very high96.4Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-83.9132173.3174.60000110.5H40 N114 A115 F121 C183 I185H40-V117 PolarHBondContact CE1-O 2.87Å; H40-V117 VanDerWaalsContact CE1-O 3.22Å; H40-V117 PolarHBondContact NE2-O 3.18Å; N114-V117 HydrophobicContact CB-CG2 3.84Å; N114-V117 VanDerWaalsContact O-CB 3.3Å; N114-V117 WeakPolarHBondContact O-CB 3.37Å; N114-V117 WeakPolarHBondContact O-CG2 3.46Å; N114-V117 PolarHBondContact O-N 3.17Å; A115-V117 VanDerWaalsContact C-N 3.32Å; V117-F121 HydrophobicContact CG1-CE1 4.14Å; V117-C183 VanDerWaalsContact CG2-O 3.24Å; V117-C183 WeakPolarHBondContact CG2-O 3.5Å; V117-I185 HydrophobicContact CG1-CD1 3.81Å; V117-I185 HydrophobicContact CG1-CG1 4.34Å
118C96.9Very high96.4Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-106.5113.4165.7173.20000107.6W247 S248 I250 A259 Y263C118-W247 CarbonylContact O-C 3.55Å; C118-W247 VanDerWaalsContact O-CA 3.29Å; C118-W247 WeakPolarHBondContact O-CA 3.49Å; C118-S248 PolarHBondContact N-O 3.31Å; C118-S248 PolarHBondContact O-N 3.4Å; C118-I250 HydrophobicContact CB-CD1 3.99Å; C118-I250 HydrophobicContact CB-CG1 4.02Å; C118-A259 HydrophobicContact CB-CB 3.9Å; C118-Y263 WeakPolarHBondContact CA-OH 3.47Å; C118-Y263 HydrophobicContact CB-CE2 4.15Å; C118-Y263 WeakPolarHBondContact SG-CE2 3.33Å
119S96.7Very high96.4Very high0 Ų018.1 Ų18.10%010%0.1CC..EExtended strand (participates in β ladder)trans-151.4163.9-177.6-172.80000111.5F121 F246 Y263S119-F121 WeakPolarHBondContact O-CD2 3.26Å; S119-F121 WeakPolarHBondContact O-CE2 3.5Å; S119-F121 PolarHBondContact OG-N 2.87Å; S119-F121 VanDerWaalsContact OG-N 3.16Å; S119-F246 WeakPolarHBondContact CA-O 3.29Å; S119-F246 PolarHBondContact OG-O 2.91Å; S119-Y263 PolarHBondContact N-OH 3.47Å; S119-Y263 WeakPolarHBondContact O-CE1 3.18Å; S119-Y263 PolarHBondContact O-OH 3.33Å
120A95Very high96.3Very high27 Ų2718.9 Ų18.922%0.22310%0.102CC..  trans-70.1-16.116400000113.1F246A120-F246 HydrophobicContact CB-CD1 4.36Å; A120-F246 HydrophobicContact CB-CE1 4Å; A120-F246 HydrophobicContact CB-CZ 4.37Å
121F97.3Very high95.8Very high15 Ų1524 Ų247%0.06613%0.13CC..  trans54.774.6179.1-57-76.1000113.8H39 H40 A43 L113 V117 S119 L123 I185 Y263H39-F121 HydrophobicContact CB-CE2 4.28Å; H40-F121 AromaticContact CD2-CE1 3.62Å; H40-F121 AromaticContact CD2-CZ 3.53Å; H40-F121 AromaticContact CE1-CZ 3.74Å; H40-F121 AromaticContact CG-CZ 3.81Å; H40-F121 AromaticContact ND1-CZ 3.94Å; H40-F121 AromaticContact NE2-CE1 3.77Å; H40-F121 AromaticContact NE2-CZ 3.49Å; H40-F121 WeakPolarHBondContact NE2-CZ 3.35Å; A43-F121 HydrophobicContact CB-CB 3.42Å; A43-F121 VanDerWaalsContact CB-CB 3.42Å; A43-F121 HydrophobicContact CB-CD2 3.78Å; A43-F121 HydrophobicContact CB-CG 3.76Å; L113-F121 HydrophobicContact CD2-CD1 3.71Å; L113-F121 HydrophobicContact CD2-CE1 3.87Å; V117-F121 HydrophobicContact CG1-CE1 4.14Å; S119-F121 WeakPolarHBondContact O-CD2 3.26Å; S119-F121 WeakPolarHBondContact O-CE2 3.5Å; S119-F121 PolarHBondContact OG-N 2.87Å; S119-F121 VanDerWaalsContact OG-N 3.16Å; F121-L123 HydrophobicContact CB-CD2 4.38Å; F121-L123 HydrophobicContact CB-CG 4.12Å; F121-L123 PolarHBondContact O-N 2.83Å; F121-I185 HydrophobicContact CD1-CD1 3.5Å; F121-I185 HydrophobicContact CD1-CG1 4.41Å; F121-I185 HydrophobicContact CE1-CD1 3.75Å; F121-I185 HydrophobicContact CE1-CG1 4.47Å; F121-Y263 WeakPolarHBondContact CE2-OH 3.33Å
122P97.4Very high95.2Very high7 Ų731.3 Ų31.35%0.04516%0.164CC..  trans-76.555.5-179.835.8-37.9000112E125 M126 L142 Y241P122-E125 WeakPolarHBondContact CA-OE2 3.33Å; P122-E125 HydrophobicContact CB-CB 4.24Å; P122-E125 HydrophobicContact CB-CG 4.43Å; P122-E125 WeakPolarHBondContact CB-OE2 3.27Å; P122-E125 PolarHBondContact O-N 2.79Å; P122-M126 WeakPolarHBondContact O-CG 3.32Å; P122-M126 PolarHBondContact O-N 2.86Å; P122-L142 HydrophobicContact CG-CD1 3.74Å; P122-L142 HydrophobicContact CG-CD2 4.47Å; P122-Y241 HydrophobicContact CB-CE1 4.17Å; P122-Y241 HydrophobicContact CG-CE1 4.03Å
123L98.3Very high94.1Very high2 Ų233.9 Ų33.91%0.0118%0.176CC..Hα-helixtrans-68.2-38.8-170.7-57.1-175.8000111.9A43 V47 F111 L113 F121 E125 M126 L127 I185A43-L123 HydrophobicContact CB-CD1 4.08Å; V47-L123 HydrophobicContact CG2-CB 3.54Å; V47-L123 HydrophobicContact CG2-CD1 3.98Å; V47-L123 HydrophobicContact CG2-CG 4.41Å; F111-L123 HydrophobicContact CD1-CB 4.35Å; F111-L123 HydrophobicContact CD1-CD2 3.83Å; F111-L123 HydrophobicContact CD1-CG 4.5Å; F111-L123 HydrophobicContact CE1-CB 3.84Å; F111-L123 HydrophobicContact CE1-CD2 4.04Å; F111-L123 HydrophobicContact CE1-CG 4.45Å; F111-L123 WeakPolarHBondContact CE1-O 3.36Å; F111-L123 HydrophobicContact CG-CD2 4.49Å; F111-L123 HydrophobicContact CZ-CB 3.95Å; F111-L123 VanDerWaalsContact CZ-O 3.25Å; F111-L123 WeakPolarHBondContact CZ-O 3.41Å; L113-L123 HydrophobicContact CD2-CD1 4.34Å; L113-L123 HydrophobicContact CD2-CD2 4.26Å; F121-L123 HydrophobicContact CB-CD2 4.38Å; F121-L123 HydrophobicContact CB-CG 4.12Å; F121-L123 PolarHBondContact O-N 2.83Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-M126 PolarHBondContact O-N 3Å; L123-L127 PolarHBondContact O-N 2.88Å; L123-I185 HydrophobicContact CD2-CG2 3.81Å
124T97.1Very high92.1Very high45 Ų4536.6 Ų36.628%0.27620%0.203SC..Hα-helixtrans-66.6-39.7177.6-58.10000110.8L127 N128T124-L127 WeakPolarHBondContact O-CB 3.31Å; T124-L127 PolarHBondContact O-N 3.48Å; T124-N128 VanDerWaalsContact O-CG 3.25Å; T124-N128 PolarHBondContact O-N 2.93Å; T124-N128 PolarHBondContact O-ND2 2.82Å
125E97Very high91Very high91 Ų9140.5 Ų40.543%0.42522%0.221SC..Hα-helixtrans-66.9-40.5176.7-59.986.6158.100111.4P122 L123 L127 N128 F129 Y241P122-E125 WeakPolarHBondContact CA-OE2 3.33Å; P122-E125 HydrophobicContact CB-CB 4.24Å; P122-E125 HydrophobicContact CB-CG 4.43Å; P122-E125 WeakPolarHBondContact CB-OE2 3.27Å; P122-E125 PolarHBondContact O-N 2.79Å; L123-E125 VanDerWaalsContact C-N 3.34Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.88Å; E125-N128 PolarHBondContact O-N 3.25Å; E125-F129 VanDerWaalsContact O-CB 3.27Å; E125-F129 WeakPolarHBondContact O-CB 3.46Å; E125-F129 PolarHBondContact O-N 2.86Å; E125-Y241 HydrophobicContact CB-CE1 4.17Å; E125-Y241 HydrophobicContact CB-CE2 4.37Å; E125-Y241 VanDerWaalsContact CB-OH 3.31Å; E125-Y241 WeakPolarHBondContact CB-OH 3.1Å
126M96.8Very high89.8Confident0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-61-39.1172.6-72.3176.87100112.4F111 P122 L123 Q130 V140 L142 I185 L187 Y241F111-M126 HydrophobicContact CE1-CB 4.34Å; P122-M126 WeakPolarHBondContact O-CG 3.32Å; P122-M126 PolarHBondContact O-N 2.86Å; L123-M126 PolarHBondContact O-N 3Å; M126-Q130 PolarHBondContact O-N 3.44Å; M126-V140 HydrophobicContact CE-CB 4.37Å; M126-V140 HydrophobicContact CE-CG1 4.01Å; M126-L142 HydrophobicContact CE-CB 4.09Å; M126-L142 HydrophobicContact CG-CD1 4.47Å; M126-L142 HydrophobicContact SD-CB 3.99Å; M126-L142 HydrophobicContact SD-CD1 4.04Å; M126-L142 HydrophobicContact SD-CG 4.47Å; M126-I185 HydrophobicContact CE-CG2 4.21Å; M126-I185 HydrophobicContact SD-CG2 3.91Å; M126-L187 HydrophobicContact CE-CB 4.31Å; M126-Y241 HydrophobicContact CG-CD1 3.69Å; M126-Y241 HydrophobicContact CG-CE1 4.37Å; M126-Y241 HydrophobicContact CG-CG 4.05Å
127L95.3Very high89.3Confident22 Ų2246.9 Ų46.912%0.11526%0.26CS..Hα-helixtrans-65.4-45.6175.8-177.966.5000111.7L2 V47 F111 L123 T124 E125 F129 Q130 N131 L187L2-L127 HydrophobicContact CD1-CD1 4.12Å; L2-L127 HydrophobicContact CD1-CD2 3.59Å; L2-L127 HydrophobicContact CD2-CD1 4.46Å; V47-L127 HydrophobicContact CG1-CD2 4.32Å; F111-L127 HydrophobicContact CZ-CB 4.23Å; L123-L127 PolarHBondContact O-N 2.88Å; T124-L127 WeakPolarHBondContact O-CB 3.31Å; T124-L127 PolarHBondContact O-N 3.48Å; E125-L127 VanDerWaalsContact C-N 3.31Å; E125-L127 PolarHBondContact O-N 2.88Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.43Å; L127-Q130 PolarHBondContact O-N 3.46Å; L127-N131 PolarHBondContact O-N 3.27Å; L127-N131 VanDerWaalsContact O-N 3.16Å; L127-N131 PolarHBondContact O-ND2 2.98Å; L127-L187 HydrophobicContact CB-CD2 4.39Å; L127-L187 HydrophobicContact CD1-CD2 4.19Å
128N95Very high89.1Confident77 Ų7747 Ų4741%0.41226%0.261SS..Hα-helixtrans-61.7-43.7176.7-67.4-15.6000111T124 E125 Q130 N131 E132T124-N128 VanDerWaalsContact O-CG 3.25Å; T124-N128 PolarHBondContact O-N 2.93Å; T124-N128 PolarHBondContact O-ND2 2.82Å; E125-N128 PolarHBondContact O-N 3.25Å; N128-Q130 VanDerWaalsContact C-N 3.34Å; N128-Q130 PolarHBondContact O-N 3.22Å; N128-N131 WeakPolarHBondContact O-CB 3.28Å; N128-N131 PolarHBondContact O-N 3.03Å; N128-N131 VanDerWaalsContact O-N 3.13Å; N128-E132 WeakPolarHBondContact O-CG 3.46Å; N128-E132 PolarHBondContact O-N 2.69Å
129F94.9Very high89.1Confident17 Ų1747 Ų478%0.07526%0.261CS..Hα-helixtrans-57.3-44.6176.3174.9-91.1000112.2E125 L127 N131 E132 H133 V140 N164 Y241E125-F129 VanDerWaalsContact O-CB 3.27Å; E125-F129 WeakPolarHBondContact O-CB 3.46Å; E125-F129 PolarHBondContact O-N 2.86Å; L127-F129 VanDerWaalsContact C-N 3.32Å; L127-F129 PolarHBondContact O-N 3.43Å; F129-N131 VanDerWaalsContact C-N 3.33Å; F129-N131 PolarHBondContact O-N 2.83Å; F129-E132 PolarHBondContact O-N 2.77Å; F129-H133 AromaticContact CD2-CE1 3.32Å; F129-H133 WeakPolarHBondContact CD2-CE1 3.32Å; F129-H133 AromaticContact CD2-ND1 3.7Å; F129-H133 AromaticContact CE2-CE1 3.02Å; F129-H133 WeakPolarHBondContact CE2-CE1 3.45Å; F129-H133 AromaticContact CE2-ND1 3.65Å; F129-H133 AromaticContact CE2-NE2 3.45Å; F129-H133 WeakPolarHBondContact CE2-NE2 3.02Å; F129-H133 AromaticContact CG-ND1 3.96Å; F129-H133 AromaticContact CZ-CE1 3.5Å; F129-H133 AromaticContact CZ-ND1 3.83Å; F129-H133 AromaticContact CZ-NE2 3.62Å; F129-H133 PolarHBondContact O-N 2.79Å; F129-H133 PolarHBondContact O-ND1 3.33Å; F129-V140 HydrophobicContact CD1-CG1 3.9Å; F129-V140 HydrophobicContact CD1-CG2 3.96Å; F129-V140 HydrophobicContact CE1-CG1 4.03Å; F129-V140 HydrophobicContact CE1-CG2 4.21Å; F129-N164 HydrophobicContact CE2-CB 4.21Å; F129-N164 HydrophobicContact CZ-CB 3.74Å; F129-Y241 HydrophobicContact CB-CD2 3.8Å; F129-Y241 HydrophobicContact CB-CE2 4.28Å; F129-Y241 HydrophobicContact CD1-CD2 4.38Å; F129-Y241 AromaticContact CD2-CD2 3.65Å; F129-Y241 HydrophobicContact CD2-CD2 3.65Å; F129-Y241 HydrophobicContact CD2-CE2 4.35Å; F129-Y241 HydrophobicContact CE2-CD2 4.28Å; F129-Y241 AromaticContact CG-CD2 3.69Å; F129-Y241 HydrophobicContact CG-CD2 3.69Å; F129-Y241 HydrophobicContact CG-CG 4.46Å
130Q92Very high89.1Confident21 Ų2147 Ų4710%0.09826%0.261CS..Hα-helixtrans-60.1-43.5175.6-173.6-178.236.100111.8M126 L127 N128 E132 H133 S138 V140 L187M126-Q130 PolarHBondContact O-N 3.44Å; L127-Q130 PolarHBondContact O-N 3.46Å; N128-Q130 VanDerWaalsContact C-N 3.34Å; N128-Q130 PolarHBondContact O-N 3.22Å; Q130-E132 VanDerWaalsContact C-N 3.29Å; Q130-E132 PolarHBondContact O-N 2.82Å; Q130-H133 PolarHBondContact O-N 2.78Å; Q130-S138 PolarHBondContact NE2-O 3.47Å; Q130-V140 HydrophobicContact CB-CG2 3.96Å; Q130-V140 HydrophobicContact CG-CG2 4.31Å; Q130-L187 HydrophobicContact CB-CD2 4.01Å; Q130-L187 VanDerWaalsContact OE1-CD2 3.24Å
131N88.6Confident89.2Confident109 Ų10945.7 Ų45.758%0.58325%0.25SS*.Hα-helixtrans-65.4-32.6179.8-66.5-32.9000112.7L127 N128 F129L127-N131 PolarHBondContact O-N 3.27Å; L127-N131 VanDerWaalsContact O-N 3.16Å; L127-N131 PolarHBondContact O-ND2 2.98Å; N128-N131 WeakPolarHBondContact O-CB 3.28Å; N128-N131 PolarHBondContact O-N 3.03Å; N128-N131 VanDerWaalsContact O-N 3.13Å; F129-N131 VanDerWaalsContact C-N 3.33Å; F129-N131 PolarHBondContact O-N 2.83Å
132E87Confident89.3Confident152 Ų15245 Ų4571%0.7125%0.247SC*.Hα-helixtrans-75.7-31.1179.5-72.9172.4-172.600113.2N128 F129 Q130 G134N128-E132 WeakPolarHBondContact O-CG 3.46Å; N128-E132 PolarHBondContact O-N 2.69Å; F129-E132 PolarHBondContact O-N 2.77Å; Q130-E132 VanDerWaalsContact C-N 3.29Å; Q130-E132 PolarHBondContact O-N 2.82Å; E132-G134 VanDerWaalsContact C-N 3.28Å; E132-G134 PolarHBondContact O-N 2.95Å
133H75.1Confident89.3Confident55 Ų5544.7 Ų44.726%0.25525%0.245SC..SBendtrans-83.4-0.3-176.5-71.966.9000113.8F129 Q130 E135 T163 N164F129-H133 AromaticContact CD2-CE1 3.32Å; F129-H133 WeakPolarHBondContact CD2-CE1 3.32Å; F129-H133 AromaticContact CD2-ND1 3.7Å; F129-H133 AromaticContact CE2-CE1 3.02Å; F129-H133 WeakPolarHBondContact CE2-CE1 3.45Å; F129-H133 AromaticContact CE2-ND1 3.65Å; F129-H133 AromaticContact CE2-NE2 3.45Å; F129-H133 WeakPolarHBondContact CE2-NE2 3.02Å; F129-H133 AromaticContact CG-ND1 3.96Å; F129-H133 AromaticContact CZ-CE1 3.5Å; F129-H133 AromaticContact CZ-ND1 3.83Å; F129-H133 AromaticContact CZ-NE2 3.62Å; F129-H133 PolarHBondContact O-N 2.79Å; F129-H133 PolarHBondContact O-ND1 3.33Å; Q130-H133 PolarHBondContact O-N 2.78Å; H133-E135 PolarHBondContact O-N 2.76Å; H133-T163 PolarHBondContact CD2-O 3.4Å; H133-N164 PolarHBondContact NE2-ND2 3.14Å
134G56.1Low89.3Confident56 Ų5645 Ų4558%0.57725%0.247SC*.  trans70.1-13.8158.300000117.6E132 P136E132-G134 VanDerWaalsContact C-N 3.28Å; E132-G134 PolarHBondContact O-N 2.95Å; G134-P136 VanDerWaalsContact O-CD 3.22Å; G134-P136 WeakPolarHBondContact O-CD 3.33Å
135E72.8Confident89.3Confident105 Ų10544.3 Ų44.349%0.49124%0.243SC..  trans-80.6107.6178.5-71.8-58.7149.500110.1H133 N137 S138H133-E135 PolarHBondContact O-N 2.76Å; E135-N137 PolarHBondContact O-N 3.25Å; E135-S138 WeakPolarHBondContact O-CB 3.46Å; E135-S138 PolarHBondContact O-N 3.17Å; E135-S138 PolarHBondContact O-OG 2.94Å
136P69.5Low89.2Confident106 Ų10640 Ų4069%0.68822%0.223SC*.THydrogen-bonded Turntrans-59.3-19-168.2-23.434000114.3G134G134-P136 VanDerWaalsContact O-CD 3.22Å; G134-P136 WeakPolarHBondContact O-CD 3.33Å
137N81.1Confident89Confident78 Ų7841.1 Ų41.142%0.41723%0.229SC..THydrogen-bonded Turntrans-122.117-173.5-60.7-25.7000113.1E135 N189 E191E135-N137 PolarHBondContact O-N 3.25Å; N137-N189 VanDerWaalsContact CA-ND2 3.32Å; N137-N189 WeakPolarHBondContact CA-ND2 3.05Å; N137-N189 PolarHBondContact O-ND2 2.99Å; N137-E191 WeakPolarHBondContact CB-OE2 3.41Å; N137-E191 PolarHBondContact ND2-OE2 3.48Å; N137-E191 PolarHBondContact OD1-OE2 3.04Å
138S91.6Very high88.9Confident1 Ų148.5 Ų48.51%0.00726%0.255CS..  trans-75.1154.3176.361.60000113.1Q130 E135 N189 K237Q130-S138 PolarHBondContact NE2-O 3.47Å; E135-S138 WeakPolarHBondContact O-CB 3.46Å; E135-S138 PolarHBondContact O-N 3.17Å; E135-S138 PolarHBondContact O-OG 2.94Å; S138-N189 PolarHBondContact O-ND2 3.04Å; S138-K237 CarbonylContact C-O 3.53Å; S138-K237 WeakPolarHBondContact CA-O 3.49Å
139F95.9Very high88.7Confident0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-116.7147.3177-49.7-58.5000109.7F188 N189 E191 I192 H195 L232 K237 L238 Y239F139-F188 HydrophobicContact CB-CD1 3.91Å; F139-F188 HydrophobicContact CB-CE1 4.22Å; F139-F188 HydrophobicContact CD1-CB 4.35Å; F139-F188 AromaticContact CD1-CD1 3.82Å; F139-F188 HydrophobicContact CD1-CD1 3.82Å; F139-F188 HydrophobicContact CG-CD1 4.05Å; F139-N189 WeakPolarHBondContact CE1-OD1 3.48Å; F139-E191 HydrophobicContact CZ-CB 4.3Å; F139-I192 HydrophobicContact CD1-CB 4.3Å; F139-I192 HydrophobicContact CD1-CD1 4.2Å; F139-I192 HydrophobicContact CD2-CD1 4.06Å; F139-I192 HydrophobicContact CE1-CB 3.63Å; F139-I192 HydrophobicContact CE1-CD1 3.96Å; F139-I192 HydrophobicContact CE1-CG1 4.32Å; F139-I192 HydrophobicContact CE2-CD1 3.81Å; F139-I192 HydrophobicContact CG-CD1 4.24Å; F139-I192 HydrophobicContact CZ-CB 3.93Å; F139-I192 HydrophobicContact CZ-CD1 3.76Å; F139-I192 HydrophobicContact CZ-CG1 4.44Å; F139-H195 AromaticContact CE2-CD2 3.99Å; F139-L232 HydrophobicContact CD2-CD1 3.74Å; F139-L232 HydrophobicContact CE2-CD1 3.89Å; F139-L232 HydrophobicContact CE2-CD2 4.22Å; F139-K237 HydrophobicContact CD2-CB 4.39Å; F139-K237 WeakPolarHBondContact CD2-O 3.26Å; F139-K237 HydrophobicContact CE2-CB 4.41Å; F139-K237 PolarHBondContact N-O 3.01Å; F139-L238 HydrophobicContact CB-CD1 3.81Å; F139-Y239 PolarHBondContact O-N 3.09Å
140V97.5Very high88.5Confident1 Ų152.3 Ų52.31%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-118.7132.4179.6-171.90000110.7M126 F129 Q130 Y186 L187 Y239M126-V140 HydrophobicContact CE-CB 4.37Å; M126-V140 HydrophobicContact CE-CG1 4.01Å; F129-V140 HydrophobicContact CD1-CG1 3.9Å; F129-V140 HydrophobicContact CD1-CG2 3.96Å; F129-V140 HydrophobicContact CE1-CG1 4.03Å; F129-V140 HydrophobicContact CE1-CG2 4.21Å; Q130-V140 HydrophobicContact CB-CG2 3.96Å; Q130-V140 HydrophobicContact CG-CG2 4.31Å; V140-Y186 CarbonylContact O-C 3.55Å; V140-Y186 VanDerWaalsContact O-CA 3.31Å; V140-Y186 WeakPolarHBondContact O-CA 3.45Å; V140-L187 HydrophobicContact CB-CB 4.17Å; V140-L187 PolarHBondContact N-O 3.12Å; V140-L187 PolarHBondContact O-N 3.24Å; V140-Y239 CarbonylContact C-O 3.52Å; V140-Y239 WeakPolarHBondContact CA-O 3.43Å
141I97.9Very high88.6Confident0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-107.3134.6169-62-178.8000108.9G143 I157 Y186 F229 L238 Y239 V240 Y241I141-G143 PolarHBondContact O-N 3.32Å; I141-I157 HydrophobicContact CG2-CD1 3.91Å; I141-Y186 HydrophobicContact CB-CD1 4.26Å; I141-Y186 HydrophobicContact CG1-CD1 3.87Å; I141-Y186 HydrophobicContact CG1-CE1 4.26Å; I141-Y186 HydrophobicContact CG2-CD1 4.06Å; I141-Y186 HydrophobicContact CG2-CE1 4Å; I141-F229 HydrophobicContact CD1-CB 4.4Å; I141-F229 HydrophobicContact CD1-CD1 3.86Å; I141-F229 HydrophobicContact CD1-CD2 3.67Å; I141-F229 HydrophobicContact CD1-CE1 3.98Å; I141-F229 HydrophobicContact CD1-CE2 3.81Å; I141-F229 HydrophobicContact CD1-CG 3.72Å; I141-F229 HydrophobicContact CD1-CZ 3.96Å; I141-F229 HydrophobicContact CG1-CE1 4.42Å; I141-F229 HydrophobicContact CG1-CZ 4.33Å; I141-L238 HydrophobicContact CD1-CD1 3.71Å; I141-L238 HydrophobicContact CD1-CD2 3.71Å; I141-L238 HydrophobicContact CD1-CG 3.96Å; I141-L238 HydrophobicContact CG1-CD1 3.69Å; I141-L238 HydrophobicContact CG1-CG 4.32Å; I141-Y239 PolarHBondContact N-O 2.76Å; I141-V240 CarbonylContact O-C 3.53Å; I141-V240 WeakPolarHBondContact O-CA 3.31Å; I141-Y241 PolarHBondContact O-N 3.06Å
142L98.6Very high88.8Confident0 Ų048.7 Ų48.70%025%0.249CC..EExtended strand (participates in β ladder)trans-74.2123.6168.2-174.569.6000110.3P122 M126 C183 I185 Y241 T243P122-L142 HydrophobicContact CG-CD1 3.74Å; P122-L142 HydrophobicContact CG-CD2 4.47Å; M126-L142 HydrophobicContact CE-CB 4.09Å; M126-L142 HydrophobicContact CG-CD1 4.47Å; M126-L142 HydrophobicContact SD-CB 3.99Å; M126-L142 HydrophobicContact SD-CD1 4.04Å; M126-L142 HydrophobicContact SD-CG 4.47Å; L142-C183 HydrophobicContact CB-CB 3.94Å; L142-C183 HydrophobicContact CD2-CB 3.71Å; L142-C183 HydrophobicContact CG-CB 3.76Å; L142-C183 VanDerWaalsContact O-CB 3.23Å; L142-C183 WeakPolarHBondContact O-CB 3.28Å; L142-C183 PolarHBondContact O-N 2.77Å; L142-I185 HydrophobicContact CB-CB 3.94Å; L142-I185 HydrophobicContact CB-CG2 4.41Å; L142-I185 WeakPolarHBondContact CB-O 3.34Å; L142-I185 HydrophobicContact CD2-CB 3.95Å; L142-I185 HydrophobicContact CD2-CD1 3.51Å; L142-I185 HydrophobicContact CD2-CG1 4.27Å; L142-I185 HydrophobicContact CD2-CG2 4.43Å; L142-I185 PolarHBondContact N-O 3.01Å; L142-Y241 HydrophobicContact CD1-CD1 3.74Å; L142-Y241 HydrophobicContact CD1-CE1 4.39Å; L142-T243 HydrophobicContact CD1-CG2 3.77Å; L142-T243 HydrophobicContact CD2-CG2 4.32Å; L142-T243 HydrophobicContact CG-CG2 4.14Å
143G98Very high89Confident0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-112.7152.7175.400000112.7I141 I181 C183 Y241 K242 T243I141-G143 PolarHBondContact O-N 3.32Å; G143-I181 WeakPolarHBondContact CA-O 3.45Å; G143-C183 VanDerWaalsContact C-SG 3.59Å; G143-Y241 PolarHBondContact N-O 2.94Å; G143-K242 WeakPolarHBondContact O-CA 3.25Å; G143-T243 PolarHBondContact O-N 3.08Å
144T97.4Very high89.9Confident10 Ų1043.3 Ų43.36%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-144.3163.3166.3-165.50000110.1I180 I181 C183 T243 W247T144-I180 WeakPolarHBondContact O-CA 3.39Å; T144-I181 HydrophobicContact CG2-CD1 4.05Å; T144-I181 HydrophobicContact CG2-CG1 3.77Å; T144-I181 PolarHBondContact N-O 2.93Å; T144-I181 VanDerWaalsContact N-O 3.11Å; T144-I181 VanDerWaalsContact O-CG1 3.24Å; T144-I181 WeakPolarHBondContact O-CG1 3.34Å; T144-I181 PolarHBondContact O-N 2.68Å; T144-C183 VanDerWaalsContact CG2-SG 3.51Å; T144-T243 PolarHBondContact OG1-O 3.13Å; T144-W247 HydrophobicContact CG2-CB 4.35Å; T144-W247 HydrophobicContact CG2-CD2 4.23Å; T144-W247 HydrophobicContact CG2-CE3 3.99Å; T144-W247 HydrophobicContact CG2-CG 4.41Å
145T96.6Very high91.8Very high30 Ų3040.8 Ų40.818%0.18420%0.2CC..EExtended strand (participates in β ladder)trans-85.6135.5178.5-51.60000111.1D179 F368 K370T145-D179 CarbonylContact C-O 3.53Å; T145-D179 WeakPolarHBondContact CA-O 3.4Å; T145-D179 HydrophobicContact CG2-CB 4.08Å; T145-F368 HydrophobicContact CG2-CB 4.24Å; T145-F368 HydrophobicContact CG2-CD1 3.63Å; T145-F368 HydrophobicContact CG2-CD2 3.98Å; T145-F368 HydrophobicContact CG2-CE1 3.89Å; T145-F368 HydrophobicContact CG2-CE2 4.21Å; T145-F368 HydrophobicContact CG2-CG 3.68Å; T145-F368 HydrophobicContact CG2-CZ 4.16Å; T145-K370 WeakPolarHBondContact O-CE 3.25Å; T145-K370 PolarHBondContact O-NZ 3.02Å
146A95.1Very high93Very high1 Ų135.8 Ų35.81%0.00818%0.176CC..  trans-126152.816900000110.4D179 I181 F368 K370A146-D179 PolarHBondContact N-O 2.82Å; A146-D179 WeakPolarHBondContact O-CB 3.29Å; A146-I181 HydrophobicContact CB-CD1 3.74Å; A146-I181 HydrophobicContact CB-CG1 4.03Å; A146-I181 HydrophobicContact CB-CG2 3.99Å; A146-F368 WeakPolarHBondContact CA-O 3.34Å; A146-K370 HydrophobicContact CB-CG 3.9Å
147N93.4Very high94.3Very high22 Ų2230.8 Ų30.812%0.11814%0.143CC..  trans-60.8159.3177.274.532.5000111.9K149 Q150 S151 D366 F368N147-K149 PolarHBondContact O-N 2.67Å; N147-K149 VanDerWaalsContact O-N 3.12Å; N147-K149 PolarHBondContact OD1-N 3.03Å; N147-Q150 PolarHBondContact ND2-OE1 3.33Å; N147-Q150 PolarHBondContact O-N 3.43Å; N147-Q150 VanDerWaalsContact O-N 3.1Å; N147-Q150 WeakPolarHBondContact OD1-CB 3.28Å; N147-Q150 VanDerWaalsContact OD1-CG 3.26Å; N147-Q150 WeakPolarHBondContact OD1-CG 3.33Å; N147-Q150 PolarHBondContact OD1-N 2.96Å; N147-Q150 PolarHBondContact OD1-OE1 2.79Å; N147-S151 PolarHBondContact O-N 3.4Å; N147-D366 WeakPolarHBondContact CB-OD2 3.37Å; N147-D366 PolarHBondContact ND2-OD2 2.86Å; N147-F368 HydrophobicContact CB-CB 4.36Å; N147-F368 PolarHBondContact N-O 3.19Å
148R92.7Very high95.1Very high177 Ų17729 Ų2967%0.66814%0.136SC*.Hα-helixtrans-52.5-38.5-175-169.4-177-179.3134.91.7114S151 F176R148-S151 PolarHBondContact O-OG 2.99Å; R148-F176 HydrophobicContact CB-CD2 4.23Å; R148-F176 HydrophobicContact CB-CE2 4.25Å; R148-F176 HydrophobicContact CG-CB 4.19Å; R148-F176 HydrophobicContact CG-CD1 4.4Å; R148-F176 HydrophobicContact CG-CD2 3.38Å; R148-F176 HydrophobicContact CG-CE2 3.74Å; R148-F176 HydrophobicContact CG-CG 3.72Å; R148-F176 HydrophobicContact CG-CZ 4.4Å
149K90.1Very high95.4Very high165 Ų16530.2 Ų30.272%0.71714%0.141SC*.Hα-helixtrans-74.7-40.5-177-175.8-176.7175.2-169.40111N147 M152N147-K149 PolarHBondContact O-N 2.67Å; N147-K149 VanDerWaalsContact O-N 3.12Å; N147-K149 PolarHBondContact OD1-N 3.03Å; K149-M152 VanDerWaalsContact O-CE 3.28Å; K149-M152 WeakPolarHBondContact O-CE 3.44Å
150Q91.5Very high95.4Very high10 Ų1032.4 Ų32.45%0.04715%0.153CC..Hα-helixtrans-86.8-23.8-172.9-67.7173.6-33.200112.8N147 M152 N153 Y154 K370 D372N147-Q150 PolarHBondContact ND2-OE1 3.33Å; N147-Q150 PolarHBondContact O-N 3.43Å; N147-Q150 VanDerWaalsContact O-N 3.1Å; N147-Q150 WeakPolarHBondContact OD1-CB 3.28Å; N147-Q150 VanDerWaalsContact OD1-CG 3.26Å; N147-Q150 WeakPolarHBondContact OD1-CG 3.33Å; N147-Q150 PolarHBondContact OD1-N 2.96Å; N147-Q150 PolarHBondContact OD1-OE1 2.79Å; Q150-M152 PolarHBondContact O-N 3.07Å; Q150-N153 WeakPolarHBondContact O-CB 3.41Å; Q150-N153 PolarHBondContact O-N 3.32Å; Q150-N153 PolarHBondContact O-ND2 3.41Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.38Å; Q150-Y154 VanDerWaalsContact O-CE2 3.27Å; Q150-Y154 WeakPolarHBondContact O-CE2 3.32Å; Q150-K370 PolarHBondContact NE2-O 3.23Å; Q150-D372 PolarHBondContact NE2-OD1 3.22Å
151S93.6Very high95.2Very high0 Ų040.5 Ų40.50%019%0.191CC..Hα-helixtrans-56.1-36179.371.40000112.3N147 R148 N153 Y154 C156 S178N147-S151 PolarHBondContact O-N 3.4Å; R148-S151 PolarHBondContact O-OG 2.99Å; S151-N153 PolarHBondContact O-N 3.42Å; S151-Y154 PolarHBondContact O-N 2.85Å; S151-C156 PolarHBondContact O-SG 3.36Å; S151-C156 VanDerWaalsContact O-SG 3.35Å; S151-S178 VanDerWaalsContact CB-O 3.23Å; S151-S178 WeakPolarHBondContact CB-O 3.34Å; S151-S178 PolarHBondContact OG-O 2.86Å
152M92.6Very high95Very high54 Ų5449.2 Ų49.227%0.26623%0.231SC..THydrogen-bonded Turntrans-60-15.1175.3-62.6-179.3-63.700114.8K149 Q150 Y154 K172 P173K149-M152 VanDerWaalsContact O-CE 3.28Å; K149-M152 WeakPolarHBondContact O-CE 3.44Å; Q150-M152 PolarHBondContact O-N 3.07Å; M152-Y154 VanDerWaalsContact C-N 3.27Å; M152-K172 WeakPolarHBondContact O-CA 3.35Å; M152-P173 HydrophobicContact CG-CG 4.46Å
153N91.8Very high94.7Very high79 Ų7951.7 Ų51.742%0.42225%0.247SC..THydrogen-bonded Turntrans-83.2-2.7175.8-63.3-46.1000113.6Q150 S151 K172Q150-N153 WeakPolarHBondContact O-CB 3.41Å; Q150-N153 PolarHBondContact O-N 3.32Å; Q150-N153 PolarHBondContact O-ND2 3.41Å; S151-N153 PolarHBondContact O-N 3.42Å; N153-K172 WeakPolarHBondContact O-CE 3.35Å
154Y93.9Very high94.6Very high15 Ų1553.5 Ų53.56%0.05926%0.256CS..SBendtrans-130.3175.8-173.9-52.6-84.2000110.8Q150 S151 M152 C156 K172 I181 W247 Q249Q150-Y154 WeakPolarHBondContact O-CD2 3.38Å; Q150-Y154 VanDerWaalsContact O-CE2 3.27Å; Q150-Y154 WeakPolarHBondContact O-CE2 3.32Å; S151-Y154 PolarHBondContact O-N 2.85Å; M152-Y154 VanDerWaalsContact C-N 3.27Å; Y154-C156 PolarHBondContact O-N 3.31Å; Y154-K172 VanDerWaalsContact O-CA 3.29Å; Y154-K172 WeakPolarHBondContact O-CA 3.23Å; Y154-K172 PolarHBondContact O-N 3.22Å; Y154-I181 HydrophobicContact CD1-CD1 4.22Å; Y154-I181 HydrophobicContact CD2-CB 4.48Å; Y154-I181 HydrophobicContact CD2-CD1 3.72Å; Y154-I181 HydrophobicContact CD2-CG2 4.12Å; Y154-I181 HydrophobicContact CE1-CD1 4.5Å; Y154-I181 HydrophobicContact CE2-CD1 4.04Å; Y154-I181 HydrophobicContact CG-CB 4.28Å; Y154-I181 HydrophobicContact CG-CD1 3.83Å; Y154-I181 HydrophobicContact CG-CG2 4.3Å; Y154-W247 AromaticContact CD1-CH2 3.79Å; Y154-W247 HydrophobicContact CD1-CH2 3.79Å; Y154-W247 HydrophobicContact CD1-CZ3 4.5Å; Y154-W247 AromaticContact CE1-CH2 3.53Å; Y154-W247 HydrophobicContact CE1-CH2 3.53Å; Y154-W247 AromaticContact CE1-CZ3 4Å; Y154-W247 HydrophobicContact CE1-CZ3 4Å; Y154-Q249 VanDerWaalsContact CE1-OE1 3.26Å
155G95.9Very high94.5Very high3 Ų354.5 Ų54.53%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-72.7119.5166.500000110.6Y169 V170 E171 I181 N182G155-Y169 WeakPolarHBondContact CA-OH 3.43Å; G155-V170 CarbonylContact C-O 3.55Å; G155-V170 WeakPolarHBondContact CA-O 3.28Å; G155-E171 WeakPolarHBondContact CA-OE2 3.46Å; G155-I181 CarbonylContact O-C 3.59Å; G155-I181 VanDerWaalsContact O-CA 3.3Å; G155-I181 WeakPolarHBondContact O-CA 3.32Å; G155-N182 PolarHBondContact O-N 3.09Å
156C97.6Very high94.6Very high0 Ų053 Ų530%025%0.251CS..EExtended strand (participates in β ladder)trans-90.7137.4179.6-68.10000110.8S151 Y154 Y169 V170 P173 V177 I180S151-C156 PolarHBondContact O-SG 3.36Å; S151-C156 VanDerWaalsContact O-SG 3.35Å; Y154-C156 PolarHBondContact O-N 3.31Å; C156-Y169 WeakPolarHBondContact O-CA 3.47Å; C156-V170 PolarHBondContact N-O 2.89Å; C156-V170 PolarHBondContact O-N 3.47Å; C156-P173 HydrophobicContact CB-CG 4.3Å; C156-V177 HydrophobicContact CB-CB 4.18Å; C156-V177 HydrophobicContact CB-CG1 4.43Å; C156-I180 WeakPolarHBondContact CA-O 3.25Å
157I98.3Very high94.7Very high0 Ų055.7 Ų55.70%027%0.265CS..EExtended strand (participates in β ladder)trans-114.9123.7-177.7-59.4174.7000108.4I141 V166 Y169 S178 I180 N182 V240I141-I157 HydrophobicContact CG2-CD1 3.91Å; I157-V166 HydrophobicContact CG2-CB 4.34Å; I157-V166 HydrophobicContact CG2-CG1 3.94Å; I157-V166 HydrophobicContact CG2-CG2 3.76Å; I157-Y169 HydrophobicContact CG1-CD2 4.02Å; I157-Y169 HydrophobicContact CG1-CE2 4.21Å; I157-S178 WeakPolarHBondContact O-CB 3.23Å; I157-S178 PolarHBondContact O-OG 3.47Å; I157-I180 HydrophobicContact CB-CB 4.25Å; I157-I180 HydrophobicContact CB-CG2 3.99Å; I157-I180 HydrophobicContact CD1-CG2 4.39Å; I157-I180 HydrophobicContact CG2-CG2 4.47Å; I157-I180 PolarHBondContact N-O 3.34Å; I157-N182 HydrophobicContact CD1-CB 4.38Å; I157-V240 HydrophobicContact CD1-CG2 4.01Å; I157-V240 HydrophobicContact CG2-CB 4.16Å; I157-V240 HydrophobicContact CG2-CG1 4.14Å; I157-V240 HydrophobicContact CG2-CG2 4.39Å
158V97.9Very high94.9Very high42 Ų4260.5 Ų60.526%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-97.4118.1165.1-176.70000106.9L167 H168 V177V158-L167 PolarHBondContact O-N 3.39Å; V158-H168 HydrophobicContact CB-CB 3.99Å; V158-H168 HydrophobicContact CG2-CB 4.06Å; V158-H168 PolarHBondContact N-O 2.92Å; V158-H168 PolarHBondContact O-N 2.85Å; V158-V177 HydrophobicContact CG2-CG1 3.67Å
159E96.5Very high95.1Very high25 Ų2552.4 Ų52.412%0.11726%0.256CS..EExtended strand (participates in β ladder)trans-101.7157.5-179.174.3-177-178.600112E165 I180 V240 K242E159-E165 CarbonylContact C-O 3.54Å; E159-E165 VanDerWaalsContact CA-O 3.24Å; E159-E165 WeakPolarHBondContact CA-O 3.07Å; E159-I180 HydrophobicContact CB-CD1 4.28Å; E159-I180 HydrophobicContact CG-CD1 3.69Å; E159-I180 WeakPolarHBondContact OE2-CD1 3.37Å; E159-V240 HydrophobicContact CB-CG1 3.66Å; E159-V240 VanDerWaalsContact OE2-CG1 3.27Å; E159-V240 WeakPolarHBondContact OE2-CG1 3.31Å; E159-K242 VanDerWaalsContact OE1-CE 3.26Å; E159-K242 WeakPolarHBondContact OE1-CE 3.29Å; E159-K242 IonicContact OE1-NZ 3.03Å; E159-K242 PolarHBondContact OE1-NZ 3.31Å; E159-K242 VanDerWaalsContact OE2-CD 3.24Å; E159-K242 WeakPolarHBondContact OE2-CD 3.3Å; E159-K242 WeakPolarHBondContact OE2-CE 3.24Å; E159-K242 IonicContact OE2-NZ 3.75Å
160N96.2Very high95.4Very high47 Ų4747.2 Ų47.225%0.25124%0.238SC..PPolyproline II helixtrans-83.4117.5158.9-177.7-33.2000108.3E162 T163 N164 E165 L167N160-E162 PolarHBondContact O-N 3Å; N160-E162 PolarHBondContact OD1-N 3.16Å; N160-T163 WeakPolarHBondContact CB-OG1 3.38Å; N160-T163 VanDerWaalsContact CG-OG1 3.26Å; N160-T163 PolarHBondContact ND2-OG1 2.93Å; N160-T163 PolarHBondContact O-N 3.42Å; N160-T163 PolarHBondContact OD1-N 3.24Å; N160-N164 WeakPolarHBondContact O-CA 3.35Å; N160-N164 PolarHBondContact O-N 3.43Å; N160-E165 HydrophobicContact CB-CB 4.2Å; N160-E165 PolarHBondContact N-O 3.18Å; N160-L167 HydrophobicContact CB-CD1 3.97Å; N160-L167 HydrophobicContact CB-CD2 4.12Å; N160-L167 HydrophobicContact CB-CG 3.99Å
161E93.8Very high95.6Very high171 Ų17149 Ų4980%0.79925%0.246SC*.THydrogen-bonded Turntrans-64.3-24.3-175.7-64.7-175.117700113.8
162E93.1Very high95.5Very high182 Ų18254.6 Ų54.685%0.8527%0.271SS*.THydrogen-bonded Turntrans-85.2-37.2-179.4-62.5-175.7176.400112.3N160N160-E162 PolarHBondContact O-N 3Å; N160-E162 PolarHBondContact OD1-N 3.16Å
163T93.1Very high95.6Very high53 Ų5352.7 Ų52.733%0.32526%0.262SS..THydrogen-bonded Turntrans-110.2-12.4-172.167.70000114.1H133 N160 E165 Y239H133-T163 PolarHBondContact CD2-O 3.4Å; N160-T163 WeakPolarHBondContact CB-OG1 3.38Å; N160-T163 VanDerWaalsContact CG-OG1 3.26Å; N160-T163 PolarHBondContact ND2-OG1 2.93Å; N160-T163 PolarHBondContact O-N 3.42Å; N160-T163 PolarHBondContact OD1-N 3.24Å; T163-E165 PolarHBondContact O-N 2.97Å; T163-E165 WeakPolarHBondContact OG1-CB 3.44Å; T163-E165 PolarHBondContact OG1-N 3.41Å; T163-Y239 WeakPolarHBondContact O-CD1 3.42Å; T163-Y239 WeakPolarHBondContact O-CE1 3.43Å
164N95.8Very high95.6Very high37 Ų3754.5 Ų54.520%0.19828%0.281CS..  trans60.415.2-169-53.5-83000114.3F129 H133 N160 Y239 V240F129-N164 HydrophobicContact CE2-CB 4.21Å; F129-N164 HydrophobicContact CZ-CB 3.74Å; H133-N164 PolarHBondContact NE2-ND2 3.14Å; N160-N164 WeakPolarHBondContact O-CA 3.35Å; N160-N164 PolarHBondContact O-N 3.43Å; N164-Y239 CarbonylContact O-C 3.59Å; N164-Y239 VanDerWaalsContact O-CA 3.28Å; N164-Y239 WeakPolarHBondContact O-CA 3.33Å; N164-V240 PolarHBondContact O-N 3.28Å
165E95.9Very high95.6Very high31 Ų3158.3 Ų58.315%0.14531%0.306CS..BIsolated β-bridgetrans-64.3137.6173.5-175-172172.300110.2E159 N160 T163 L167 G234 G236 Y239E159-E165 CarbonylContact C-O 3.54Å; E159-E165 VanDerWaalsContact CA-O 3.24Å; E159-E165 WeakPolarHBondContact CA-O 3.07Å; N160-E165 HydrophobicContact CB-CB 4.2Å; N160-E165 PolarHBondContact N-O 3.18Å; T163-E165 PolarHBondContact O-N 2.97Å; T163-E165 WeakPolarHBondContact OG1-CB 3.44Å; T163-E165 PolarHBondContact OG1-N 3.41Å; E165-L167 PolarHBondContact O-N 3.22Å; E165-G234 WeakPolarHBondContact OE1-CA 3.18Å; E165-G236 VanDerWaalsContact OE1-CA 3.3Å; E165-G236 WeakPolarHBondContact OE1-CA 3.24Å; E165-G236 PolarHBondContact OE1-N 2.88Å; E165-Y239 HydrophobicContact CB-CD1 4.24Å; E165-Y239 HydrophobicContact CB-CE1 3.99Å
166V97.3Very high95.6Very high0 Ų061.8 Ų61.80%032%0.32CS..EExtended strand (participates in β ladder)trans-76.3103.2169.3177.80000108.9I157 A233 G234 L238 V240I157-V166 HydrophobicContact CG2-CB 4.34Å; I157-V166 HydrophobicContact CG2-CG1 3.94Å; I157-V166 HydrophobicContact CG2-CG2 3.76Å; V166-A233 HydrophobicContact CG1-CB 4.08Å; V166-A233 CarbonylContact O-C 3.45Å; V166-A233 VanDerWaalsContact O-CA 3.28Å; V166-A233 WeakPolarHBondContact O-CA 3.28Å; V166-G234 PolarHBondContact O-N 3.03Å; V166-L238 HydrophobicContact CB-CB 4.22Å; V166-L238 HydrophobicContact CB-CD2 4.05Å; V166-L238 HydrophobicContact CB-CG 4.01Å; V166-L238 HydrophobicContact CG1-CD2 4.07Å; V166-L238 HydrophobicContact CG2-CD2 4.27Å; V166-L238 HydrophobicContact CG2-CG 3.94Å; V166-L238 PolarHBondContact N-O 2.85Å; V166-V240 HydrophobicContact CG2-CB 3.98Å; V166-V240 HydrophobicContact CG2-CG1 4.3Å
167L97.4Very high95.5Very high57 Ų5764.2 Ų64.230%0.29834%0.335SS..EExtended strand (participates in β ladder)trans-75.8-42178.4-62.6177.9000111.7V158 N160 E165 A233 G234V158-L167 PolarHBondContact O-N 3.39Å; N160-L167 HydrophobicContact CB-CD1 3.97Å; N160-L167 HydrophobicContact CB-CD2 4.12Å; N160-L167 HydrophobicContact CB-CG 3.99Å; E165-L167 PolarHBondContact O-N 3.22Å; L167-A233 CarbonylContact O-C 3.56Å; L167-G234 PolarHBondContact O-N 3.01Å
168H97.3Very high95.4Very high123 Ų12364.8 Ų64.857%0.56934%0.339SS*.EExtended strand (participates in β ladder)trans-141.3142.7177-61.5-55000111.5V158V158-H168 HydrophobicContact CB-CB 3.99Å; V158-H168 HydrophobicContact CG2-CB 4.06Å; V158-H168 PolarHBondContact N-O 2.92Å; V158-H168 PolarHBondContact O-N 2.85Å
169Y97.9Very high95.3Very high7 Ų766 Ų663%0.02734%0.344CS..EExtended strand (participates in β ladder)trans-125.2131.3173-175.3-82.8000109.5G155 C156 I157 E171 N182 E225 F229G155-Y169 WeakPolarHBondContact CA-OH 3.43Å; C156-Y169 WeakPolarHBondContact O-CA 3.47Å; I157-Y169 HydrophobicContact CG1-CD2 4.02Å; I157-Y169 HydrophobicContact CG1-CE2 4.21Å; Y169-E171 HydrophobicContact CE1-CB 4.12Å; Y169-E171 PolarHBondContact OH-OE2 2.91Å; Y169-N182 HydrophobicContact CE2-CB 4.07Å; Y169-N182 PolarHBondContact OH-ND2 2.99Å; Y169-E225 VanDerWaalsContact CD1-O 3.28Å; Y169-E225 WeakPolarHBondContact CD1-O 3.34Å; Y169-E225 HydrophobicContact CE1-CB 3.96Å; Y169-E225 WeakPolarHBondContact CE1-O 3.47Å; Y169-E225 WeakPolarHBondContact OH-CB 3.44Å; Y169-E225 WeakPolarHBondContact OH-CG 3.4Å; Y169-F229 HydrophobicContact CD1-CB 4.04Å; Y169-F229 HydrophobicContact CD2-CB 4Å; Y169-F229 HydrophobicContact CD2-CD2 4.46Å; Y169-F229 HydrophobicContact CE1-CB 4.39Å; Y169-F229 HydrophobicContact CE2-CB 4.32Å; Y169-F229 AromaticContact CE2-CD2 3.99Å; Y169-F229 HydrophobicContact CE2-CD2 3.99Å; Y169-F229 HydrophobicContact CG-CB 3.87Å
170V96.4Very high95.4Very high56 Ų5665.3 Ų65.334%0.33934%0.341SS..EExtended strand (participates in β ladder)trans-134.6116.2176.4-169.10000110.4G155 C156 K172 P173 V177G155-V170 CarbonylContact C-O 3.55Å; G155-V170 WeakPolarHBondContact CA-O 3.28Å; C156-V170 PolarHBondContact N-O 2.89Å; C156-V170 PolarHBondContact O-N 3.47Å; V170-K172 PolarHBondContact O-N 2.83Å; V170-P173 HydrophobicContact CB-CB 4.38Å; V170-P173 HydrophobicContact CG1-CB 3.75Å; V170-P173 HydrophobicContact CG1-CG 4.49Å; V170-V177 HydrophobicContact CG2-CG1 4.25Å; V170-V177 HydrophobicContact CG2-CG2 4.41Å
171E95.3Very high95.4Very high46 Ų4663 Ų6322%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-75.5114176.7-17660.5-160.500111G155 Y169 E225 Q226G155-E171 WeakPolarHBondContact CA-OE2 3.46Å; Y169-E171 HydrophobicContact CE1-CB 4.12Å; Y169-E171 PolarHBondContact OH-OE2 2.91Å; E171-E225 HydrophobicContact CG-CB 4.35Å; E171-E225 WeakPolarHBondContact OE2-CB 3.26Å; E171-Q226 HydrophobicContact CB-CG 3.86Å; E171-Q226 HydrophobicContact CG-CG 4.02Å
172K92.6Very high95.6Very high119 Ų11955.4 Ų55.452%0.51729%0.294SS..SBendtrans49.763.4175-62.2175.9-1721570113.3M152 N153 Y154 V170M152-K172 WeakPolarHBondContact O-CA 3.35Å; N153-K172 WeakPolarHBondContact O-CE 3.35Å; Y154-K172 VanDerWaalsContact O-CA 3.29Å; Y154-K172 WeakPolarHBondContact O-CA 3.23Å; Y154-K172 PolarHBondContact O-N 3.22Å; V170-K172 PolarHBondContact O-N 2.83Å
173P93.3Very high95.8Very high13 Ų1346.8 Ų46.88%0.08425%0.253CS..  trans-64.7147.8-176.630.4-37000111.3M152 C156 V170 T175 V177M152-P173 HydrophobicContact CG-CG 4.46Å; C156-P173 HydrophobicContact CB-CG 4.3Å; V170-P173 HydrophobicContact CB-CB 4.38Å; V170-P173 HydrophobicContact CG1-CB 3.75Å; V170-P173 HydrophobicContact CG1-CG 4.49Å; P173-T175 VanDerWaalsContact CB-O 3.25Å; P173-T175 WeakPolarHBondContact CB-O 3.36Å; P173-T175 WeakPolarHBondContact CG-O 3.28Å; P173-T175 PolarHBondContact O-N 2.78Å; P173-V177 HydrophobicContact CB-CG2 3.65Å; P173-V177 HydrophobicContact CG-CB 4.34Å; P173-V177 HydrophobicContact CG-CG2 3.87Å
174S92.3Very high96Very high117 Ų11744.4 Ų44.482%0.81824%0.239SC*.SBendtrans-72.5-19.2174.955.20000113
175T93.8Very high96.1Very high95 Ų9542.6 Ų42.658%0.58323%0.23SC*.SBendtrans-128.6161.9177.356.30000110.4P173 V177P173-T175 VanDerWaalsContact CB-O 3.25Å; P173-T175 WeakPolarHBondContact CB-O 3.36Å; P173-T175 WeakPolarHBondContact CG-O 3.28Å; P173-T175 PolarHBondContact O-N 2.78Å; T175-V177 PolarHBondContact O-N 3.24Å
176F95.8Very high96.3Very high76 Ų7641.2 Ų41.233%0.33322%0.223SC..  trans-64.7129.1178.4176.1-100.5000111.2R148 S178 D179R148-F176 HydrophobicContact CB-CD2 4.23Å; R148-F176 HydrophobicContact CB-CE2 4.25Å; R148-F176 HydrophobicContact CG-CB 4.19Å; R148-F176 HydrophobicContact CG-CD1 4.4Å; R148-F176 HydrophobicContact CG-CD2 3.38Å; R148-F176 HydrophobicContact CG-CE2 3.74Å; R148-F176 HydrophobicContact CG-CG 3.72Å; R148-F176 HydrophobicContact CG-CZ 4.4Å; F176-S178 VanDerWaalsContact CE2-O 3.29Å; F176-S178 WeakPolarHBondContact CE2-O 3.44Å; F176-D179 HydrophobicContact CE2-CB 4.41Å
177V94.8Very high96.3Very high52 Ų5241.2 Ų41.232%0.31522%0.223SC..  trans-116.6-52.3177.4175.30000110.7C156 V158 V170 P173 T175C156-V177 HydrophobicContact CB-CB 4.18Å; C156-V177 HydrophobicContact CB-CG1 4.43Å; V158-V177 HydrophobicContact CG2-CG1 3.67Å; V170-V177 HydrophobicContact CG2-CG1 4.25Å; V170-V177 HydrophobicContact CG2-CG2 4.41Å; P173-V177 HydrophobicContact CB-CG2 3.65Å; P173-V177 HydrophobicContact CG-CB 4.34Å; P173-V177 HydrophobicContact CG-CG2 3.87Å; T175-V177 PolarHBondContact O-N 3.24Å
178S96.6Very high96.3Very high11 Ų1138.5 Ų38.58%0.07721%0.209CC..  trans-153160.9-179.1179.40000109.7S151 I157 F176 I180S151-S178 VanDerWaalsContact CB-O 3.23Å; S151-S178 WeakPolarHBondContact CB-O 3.34Å; S151-S178 PolarHBondContact OG-O 2.86Å; I157-S178 WeakPolarHBondContact O-CB 3.23Å; I157-S178 PolarHBondContact O-OG 3.47Å; F176-S178 VanDerWaalsContact CE2-O 3.29Å; F176-S178 WeakPolarHBondContact CE2-O 3.44Å; S178-I180 PolarHBondContact OG-N 3.11Å; S178-I180 VanDerWaalsContact OG-N 3.1Å
179D96.4Very high96.2Very high67 Ų6733 Ų3336%0.35818%0.184SC..SBendtrans-91.4-13.617063.8-13.3000112.7T145 A146 F176T145-D179 CarbonylContact C-O 3.53Å; T145-D179 WeakPolarHBondContact CA-O 3.4Å; T145-D179 HydrophobicContact CG2-CB 4.08Å; A146-D179 PolarHBondContact N-O 2.82Å; A146-D179 WeakPolarHBondContact O-CB 3.29Å; F176-D179 HydrophobicContact CE2-CB 4.41Å
180I98Very high96.1Very high11 Ų1135 Ų356%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-79.3121174.2-51.8166.4000109.2T144 C156 I157 E159 S178 V240 K242T144-I180 WeakPolarHBondContact O-CA 3.39Å; C156-I180 WeakPolarHBondContact CA-O 3.25Å; I157-I180 HydrophobicContact CB-CB 4.25Å; I157-I180 HydrophobicContact CB-CG2 3.99Å; I157-I180 HydrophobicContact CD1-CG2 4.39Å; I157-I180 HydrophobicContact CG2-CG2 4.47Å; I157-I180 PolarHBondContact N-O 3.34Å; E159-I180 HydrophobicContact CB-CD1 4.28Å; E159-I180 HydrophobicContact CG-CD1 3.69Å; E159-I180 WeakPolarHBondContact OE2-CD1 3.37Å; S178-I180 PolarHBondContact OG-N 3.11Å; S178-I180 VanDerWaalsContact OG-N 3.1Å; I180-V240 HydrophobicContact CG2-CG2 4.24Å; I180-K242 HydrophobicContact CD1-CD 4.01Å; I180-K242 HydrophobicContact CG1-CD 4.36Å; I180-K242 HydrophobicContact CG2-CG 4.49Å
181I97.6Very high96Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-115.8145.4-178.360.5161000112.6G143 T144 A146 Y154 G155 C183 W247G143-I181 WeakPolarHBondContact CA-O 3.45Å; T144-I181 HydrophobicContact CG2-CD1 4.05Å; T144-I181 HydrophobicContact CG2-CG1 3.77Å; T144-I181 PolarHBondContact N-O 2.93Å; T144-I181 VanDerWaalsContact N-O 3.11Å; T144-I181 VanDerWaalsContact O-CG1 3.24Å; T144-I181 WeakPolarHBondContact O-CG1 3.34Å; T144-I181 PolarHBondContact O-N 2.68Å; A146-I181 HydrophobicContact CB-CD1 3.74Å; A146-I181 HydrophobicContact CB-CG1 4.03Å; A146-I181 HydrophobicContact CB-CG2 3.99Å; Y154-I181 HydrophobicContact CD1-CD1 4.22Å; Y154-I181 HydrophobicContact CD2-CB 4.48Å; Y154-I181 HydrophobicContact CD2-CD1 3.72Å; Y154-I181 HydrophobicContact CD2-CG2 4.12Å; Y154-I181 HydrophobicContact CE1-CD1 4.5Å; Y154-I181 HydrophobicContact CE2-CD1 4.04Å; Y154-I181 HydrophobicContact CG-CB 4.28Å; Y154-I181 HydrophobicContact CG-CD1 3.83Å; Y154-I181 HydrophobicContact CG-CG2 4.3Å; G155-I181 CarbonylContact O-C 3.59Å; G155-I181 VanDerWaalsContact O-CA 3.3Å; G155-I181 WeakPolarHBondContact O-CA 3.32Å; I181-C183 PolarHBondContact O-N 3.04Å; I181-W247 HydrophobicContact CD1-CE3 4.22Å; I181-W247 HydrophobicContact CD1-CH2 3.86Å; I181-W247 HydrophobicContact CD1-CZ3 3.5Å; I181-W247 VanDerWaalsContact CD1-CZ3 3.5Å
182N97.8Very high96Very high11 Ų1131.7 Ų31.76%0.05918%0.179CC..EExtended strand (participates in β ladder)trans-65.5125.4173.8179.9-1.3000111.4G155 I157 Y169 G184 Y186G155-N182 PolarHBondContact O-N 3.09Å; I157-N182 HydrophobicContact CD1-CB 4.38Å; Y169-N182 HydrophobicContact CE2-CB 4.07Å; Y169-N182 PolarHBondContact OH-ND2 2.99Å; N182-G184 PolarHBondContact OD1-N 3.46Å; N182-Y186 PolarHBondContact ND2-OH 2.74Å; N182-Y186 VanDerWaalsContact OD1-CE1 3.32Å; N182-Y186 WeakPolarHBondContact OD1-CE1 3.2Å; N182-Y186 PolarHBondContact OD1-OH 2.92Å
183C97.4Very high96.2Very high0 Ų026.8 Ų26.80%016%0.157CC..EExtended strand (participates in β ladder)trans-89.9-4.2-178.8-67.20000114.9V117 L142 G143 T144 I181 W247V117-C183 VanDerWaalsContact CG2-O 3.24Å; V117-C183 WeakPolarHBondContact CG2-O 3.5Å; L142-C183 HydrophobicContact CB-CB 3.94Å; L142-C183 HydrophobicContact CD2-CB 3.71Å; L142-C183 HydrophobicContact CG-CB 3.76Å; L142-C183 VanDerWaalsContact O-CB 3.23Å; L142-C183 WeakPolarHBondContact O-CB 3.28Å; L142-C183 PolarHBondContact O-N 2.77Å; G143-C183 VanDerWaalsContact C-SG 3.59Å; T144-C183 VanDerWaalsContact CG2-SG 3.51Å; I181-C183 PolarHBondContact O-N 3.04Å; C183-W247 HydrophobicContact CB-CD2 4.47Å; C183-W247 HydrophobicContact CB-CG 4.29Å; C183-W247 HydrophobicContact CB-CZ2 4.48Å; C183-W247 VanDerWaalsContact CB-NE1 3.31Å; C183-W247 PolarHBondContact O-NE1 3.19Å
184G96.7Very high96.4Very high3 Ų332.7 Ų32.73%0.03118%0.184CC..EExtended strand (participates in β ladder)trans73.726.2-179.300000114.2N114 N182N114-G184 PolarHBondContact N-O 3.1Å; N182-G184 PolarHBondContact OD1-N 3.46Å
185I98.5Very high96.5Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-130.9128.8176.7-63.7161.6000107.5V112 L113 V117 F121 L123 M126 L142V112-I185 CarbonylContact O-C 3.56Å; V112-I185 WeakPolarHBondContact O-CA 3.45Å; L113-I185 HydrophobicContact CG-CG1 4.47Å; L113-I185 HydrophobicContact CG-CG2 4.36Å; V117-I185 HydrophobicContact CG1-CD1 3.81Å; V117-I185 HydrophobicContact CG1-CG1 4.34Å; F121-I185 HydrophobicContact CD1-CD1 3.5Å; F121-I185 HydrophobicContact CD1-CG1 4.41Å; F121-I185 HydrophobicContact CE1-CD1 3.75Å; F121-I185 HydrophobicContact CE1-CG1 4.47Å; L123-I185 HydrophobicContact CD2-CG2 3.81Å; M126-I185 HydrophobicContact CE-CG2 4.21Å; M126-I185 HydrophobicContact SD-CG2 3.91Å; L142-I185 HydrophobicContact CB-CB 3.94Å; L142-I185 HydrophobicContact CB-CG2 4.41Å; L142-I185 WeakPolarHBondContact CB-O 3.34Å; L142-I185 HydrophobicContact CD2-CB 3.95Å; L142-I185 HydrophobicContact CD2-CD1 3.51Å; L142-I185 HydrophobicContact CD2-CG1 4.27Å; L142-I185 HydrophobicContact CD2-CG2 4.43Å; L142-I185 PolarHBondContact N-O 3.01Å
186Y98.3Very high96.6Very high1 Ų124.5 Ų24.50%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-135.9152.2-171-40.8-62.7000110.9F111 V112 V140 I141 N182 F188 L224 E225 F229F111-Y186 CarbonylContact C-O 3.55Å; F111-Y186 VanDerWaalsContact CA-O 3.29Å; F111-Y186 WeakPolarHBondContact CA-O 3.49Å; V112-Y186 HydrophobicContact CB-CD2 3.96Å; V112-Y186 HydrophobicContact CG1-CD2 3.95Å; V112-Y186 PolarHBondContact N-O 3.34Å; V112-Y186 PolarHBondContact O-N 2.83Å; V140-Y186 CarbonylContact O-C 3.55Å; V140-Y186 VanDerWaalsContact O-CA 3.31Å; V140-Y186 WeakPolarHBondContact O-CA 3.45Å; I141-Y186 HydrophobicContact CB-CD1 4.26Å; I141-Y186 HydrophobicContact CG1-CD1 3.87Å; I141-Y186 HydrophobicContact CG1-CE1 4.26Å; I141-Y186 HydrophobicContact CG2-CD1 4.06Å; I141-Y186 HydrophobicContact CG2-CE1 4Å; N182-Y186 PolarHBondContact ND2-OH 2.74Å; N182-Y186 VanDerWaalsContact OD1-CE1 3.32Å; N182-Y186 WeakPolarHBondContact OD1-CE1 3.2Å; N182-Y186 PolarHBondContact OD1-OH 2.92Å; Y186-F188 VanDerWaalsContact CB-CZ 3.49Å; Y186-F188 HydrophobicContact CD2-CE2 4.29Å; Y186-F188 HydrophobicContact CD2-CZ 4.1Å; Y186-F188 HydrophobicContact CG-CE1 4.46Å; Y186-F188 HydrophobicContact CG-CE2 4.34Å; Y186-F188 AromaticContact CG-CZ 3.83Å; Y186-F188 HydrophobicContact CG-CZ 3.83Å; Y186-L224 HydrophobicContact CD2-CD1 4.18Å; Y186-L224 HydrophobicContact CE2-CD1 3.89Å; Y186-E225 PolarHBondContact OH-OE1 3.21Å; Y186-F229 HydrophobicContact CD1-CE2 4.1Å; Y186-F229 AromaticContact CD1-CZ 3.69Å; Y186-F229 HydrophobicContact CD1-CZ 3.69Å; Y186-F229 HydrophobicContact CD2-CZ 4.27Å; Y186-F229 AromaticContact CE1-CE2 3.43Å; Y186-F229 HydrophobicContact CE1-CE2 3.43Å; Y186-F229 VanDerWaalsContact CE1-CE2 3.43Å; Y186-F229 AromaticContact CE1-CZ 3.5Å; Y186-F229 HydrophobicContact CE1-CZ 3.5Å; Y186-F229 HydrophobicContact CE2-CE2 4.34Å; Y186-F229 HydrophobicContact CE2-CZ 4.11Å; Y186-F229 HydrophobicContact CG-CZ 4.07Å; Y186-F229 AromaticContact CZ-CE2 3.56Å; Y186-F229 AromaticContact CZ-CZ 3.71Å
187L97.8Very high96.5Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-122.2117.4169176.558.3000108.4A109 F111 M126 L127 Q130 V140A109-L187 HydrophobicContact CB-CD1 3.84Å; F111-L187 HydrophobicContact CD1-CB 4.18Å; F111-L187 HydrophobicContact CD1-CD1 4Å; F111-L187 HydrophobicContact CD2-CD1 4.26Å; F111-L187 HydrophobicContact CE1-CB 4.08Å; F111-L187 HydrophobicContact CE1-CD1 3.81Å; F111-L187 HydrophobicContact CE1-CD2 4.17Å; F111-L187 HydrophobicContact CE1-CG 4.25Å; F111-L187 HydrophobicContact CE2-CD1 4.04Å; F111-L187 HydrophobicContact CG-CD1 4.23Å; F111-L187 HydrophobicContact CZ-CD1 3.84Å; F111-L187 HydrophobicContact CZ-CD2 4.28Å; M126-L187 HydrophobicContact CE-CB 4.31Å; L127-L187 HydrophobicContact CB-CD2 4.39Å; L127-L187 HydrophobicContact CD1-CD2 4.19Å; Q130-L187 HydrophobicContact CB-CD2 4.01Å; Q130-L187 VanDerWaalsContact OE1-CD2 3.24Å; V140-L187 HydrophobicContact CB-CB 4.17Å; V140-L187 PolarHBondContact N-O 3.12Å; V140-L187 PolarHBondContact O-N 3.24Å
188F97.2Very high96.5Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-118.7151.6-178.5-60.8-39.8000111.6A109 F110 V112 F139 Y186 I192 L224 F229A109-F188 CarbonylContact C-O 3.52Å; A109-F188 WeakPolarHBondContact CA-O 3.27Å; A109-F188 VanDerWaalsContact CB-O 3.31Å; A109-F188 WeakPolarHBondContact CB-O 3.34Å; F110-F188 HydrophobicContact CD1-CB 4.37Å; F110-F188 HydrophobicContact CE1-CB 3.85Å; F110-F188 HydrophobicContact CE2-CB 4.13Å; F110-F188 AromaticContact CE2-CD2 3.96Å; F110-F188 HydrophobicContact CE2-CD2 3.96Å; F110-F188 HydrophobicContact CZ-CB 3.73Å; F110-F188 HydrophobicContact CZ-CD2 4.1Å; F110-F188 HydrophobicContact CZ-CG 4.42Å; F110-F188 PolarHBondContact N-O 3.41Å; F110-F188 PolarHBondContact O-N 2.87Å; V112-F188 HydrophobicContact CB-CD2 4.38Å; V112-F188 HydrophobicContact CB-CE2 4.15Å; V112-F188 HydrophobicContact CG2-CD2 3.56Å; V112-F188 HydrophobicContact CG2-CE2 3.72Å; F139-F188 HydrophobicContact CB-CD1 3.91Å; F139-F188 HydrophobicContact CB-CE1 4.22Å; F139-F188 HydrophobicContact CD1-CB 4.35Å; F139-F188 AromaticContact CD1-CD1 3.82Å; F139-F188 HydrophobicContact CD1-CD1 3.82Å; F139-F188 HydrophobicContact CG-CD1 4.05Å; Y186-F188 VanDerWaalsContact CB-CZ 3.49Å; Y186-F188 HydrophobicContact CD2-CE2 4.29Å; Y186-F188 HydrophobicContact CD2-CZ 4.1Å; Y186-F188 HydrophobicContact CG-CE1 4.46Å; Y186-F188 HydrophobicContact CG-CE2 4.34Å; Y186-F188 AromaticContact CG-CZ 3.83Å; Y186-F188 HydrophobicContact CG-CZ 3.83Å; F188-I192 HydrophobicContact CB-CB 4.16Å; F188-I192 HydrophobicContact CB-CG2 3.9Å; F188-I192 HydrophobicContact CD1-CD1 4.22Å; F188-I192 HydrophobicContact CD1-CG1 4.11Å; F188-I192 HydrophobicContact CD2-CG1 4.23Å; F188-I192 HydrophobicContact CD2-CG2 4.37Å; F188-I192 HydrophobicContact CE1-CD1 4.26Å; F188-I192 HydrophobicContact CE1-CG1 4.38Å; F188-I192 HydrophobicContact CE2-CG1 4.49Å; F188-I192 HydrophobicContact CG-CB 4.25Å; F188-I192 HydrophobicContact CG-CG1 4.04Å; F188-I192 HydrophobicContact CG-CG2 4.2Å; F188-L224 HydrophobicContact CE2-CD1 4.48Å; F188-F229 HydrophobicContact CE1-CE1 4.02Å; F188-F229 HydrophobicContact CE1-CZ 4.49Å; F188-F229 AromaticContact CZ-CE1 3.8Å; F188-F229 HydrophobicContact CZ-CE1 3.8Å; F188-F229 AromaticContact CZ-CZ 3.96Å; F188-F229 HydrophobicContact CZ-CZ 3.96Å
189N95.1Very high96.3Very high8 Ų822 Ų224%0.04312%0.123CC..  trans-103170.5163.665.755.8000109.5N137 S138 F139 E191 I192N137-N189 VanDerWaalsContact CA-ND2 3.32Å; N137-N189 WeakPolarHBondContact CA-ND2 3.05Å; N137-N189 PolarHBondContact O-ND2 2.99Å; S138-N189 PolarHBondContact O-ND2 3.04Å; F139-N189 WeakPolarHBondContact CE1-OD1 3.48Å; N189-E191 PolarHBondContact O-N 2.87Å; N189-E191 WeakPolarHBondContact OD1-CA 3.38Å; N189-E191 WeakPolarHBondContact OD1-CB 3.21Å; N189-E191 PolarHBondContact OD1-N 2.88Å; N189-I192 VanDerWaalsContact O-CG2 3.29Å; N189-I192 WeakPolarHBondContact O-CG2 3.49Å; N189-I192 PolarHBondContact O-N 3.29Å
190P95.6Very high96.1Very high50 Ų5020.6 Ų20.633%0.32511%0.114SC..THydrogen-bonded Turntrans-54.1-22.8179.2-31.638.5000116.5L103 P107 E108 I192 F193L103-P190 HydrophobicContact CD2-CB 3.66Å; L103-P190 HydrophobicContact CD2-CG 3.8Å; P107-P190 WeakPolarHBondContact O-CG 3.34Å; E108-P190 VanDerWaalsContact O-CD 3.28Å; E108-P190 WeakPolarHBondContact O-CD 3.22Å; P190-I192 PolarHBondContact O-N 2.84Å; P190-F193 WeakPolarHBondContact O-CD2 3.23Å; P190-F193 PolarHBondContact O-N 3.11Å
191E95.3Very high95.8Very high31 Ų3126.2 Ų26.215%0.14514%0.14CC..THydrogen-bonded Turntrans-63.5-24.4179.7-168.6171134.600112.5N137 F139 N189 F193 Q194 K237N137-E191 WeakPolarHBondContact CB-OE2 3.41Å; N137-E191 PolarHBondContact ND2-OE2 3.48Å; N137-E191 PolarHBondContact OD1-OE2 3.04Å; F139-E191 HydrophobicContact CZ-CB 4.3Å; N189-E191 PolarHBondContact O-N 2.87Å; N189-E191 WeakPolarHBondContact OD1-CA 3.38Å; N189-E191 WeakPolarHBondContact OD1-CB 3.21Å; N189-E191 PolarHBondContact OD1-N 2.88Å; E191-F193 PolarHBondContact O-N 2.98Å; E191-Q194 WeakPolarHBondContact O-CB 3.39Å; E191-Q194 PolarHBondContact O-N 3.33Å; E191-K237 IonicContact OE1-NZ 3.7Å; E191-K237 PolarHBondContact OE1-NZ 2.86Å
192I96.1Very high95.3Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-55.6-30.6178.5-163.561.4000112.3F110 F139 F188 N189 P190 Q194 H195 I196 I228 L232F110-I192 HydrophobicContact CE1-CG2 4.07Å; F110-I192 HydrophobicContact CZ-CG2 3.71Å; F139-I192 HydrophobicContact CD1-CB 4.3Å; F139-I192 HydrophobicContact CD1-CD1 4.2Å; F139-I192 HydrophobicContact CD2-CD1 4.06Å; F139-I192 HydrophobicContact CE1-CB 3.63Å; F139-I192 HydrophobicContact CE1-CD1 3.96Å; F139-I192 HydrophobicContact CE1-CG1 4.32Å; F139-I192 HydrophobicContact CE2-CD1 3.81Å; F139-I192 HydrophobicContact CG-CD1 4.24Å; F139-I192 HydrophobicContact CZ-CB 3.93Å; F139-I192 HydrophobicContact CZ-CD1 3.76Å; F139-I192 HydrophobicContact CZ-CG1 4.44Å; F188-I192 HydrophobicContact CB-CB 4.16Å; F188-I192 HydrophobicContact CB-CG2 3.9Å; F188-I192 HydrophobicContact CD1-CD1 4.22Å; F188-I192 HydrophobicContact CD1-CG1 4.11Å; F188-I192 HydrophobicContact CD2-CG1 4.23Å; F188-I192 HydrophobicContact CD2-CG2 4.37Å; F188-I192 HydrophobicContact CE1-CD1 4.26Å; F188-I192 HydrophobicContact CE1-CG1 4.38Å; F188-I192 HydrophobicContact CE2-CG1 4.49Å; F188-I192 HydrophobicContact CG-CB 4.25Å; F188-I192 HydrophobicContact CG-CG1 4.04Å; F188-I192 HydrophobicContact CG-CG2 4.2Å; N189-I192 VanDerWaalsContact O-CG2 3.29Å; N189-I192 WeakPolarHBondContact O-CG2 3.49Å; N189-I192 PolarHBondContact O-N 3.29Å; P190-I192 PolarHBondContact O-N 2.84Å; I192-Q194 PolarHBondContact O-N 3.2Å; I192-H195 WeakPolarHBondContact O-CB 3.3Å; I192-H195 PolarHBondContact O-N 2.7Å; I192-H195 VanDerWaalsContact O-N 3.15Å; I192-I196 HydrophobicContact CG1-CD1 3.97Å; I192-I196 HydrophobicContact CG1-CG1 4.3Å; I192-I196 HydrophobicContact CG2-CD1 4.44Å; I192-I196 WeakPolarHBondContact O-CG1 3.27Å; I192-I196 PolarHBondContact O-N 3.49Å; I192-I228 HydrophobicContact CD1-CG2 3.95Å; I192-L232 HydrophobicContact CD1-CD1 4.09Å
193F97Very high94.8Very high16 Ų1633.3 Ų33.37%0.0717%0.172CC..Hα-helixtrans-67.5-24.3179.7-66.9-67.8000113I95 Y96 R99 I102 L103 F110 P190 E191 G197I95-F193 HydrophobicContact CG2-CE1 3.83Å; I95-F193 HydrophobicContact CG2-CZ 4.26Å; Y96-F193 HydrophobicContact CD2-CD1 4.27Å; R99-F193 HydrophobicContact CB-CD1 3.46Å; R99-F193 VanDerWaalsContact CB-CD1 3.46Å; R99-F193 HydrophobicContact CB-CE1 3.29Å; R99-F193 HydrophobicContact CB-CG 4.14Å; R99-F193 HydrophobicContact CB-CZ 3.88Å; I102-F193 HydrophobicContact CB-CZ 4.11Å; I102-F193 HydrophobicContact CD1-CE1 4.43Å; I102-F193 HydrophobicContact CD1-CZ 4.07Å; I102-F193 HydrophobicContact CG2-CE2 4.34Å; I102-F193 HydrophobicContact CG2-CZ 3.93Å; L103-F193 HydrophobicContact CD1-CD2 3.83Å; L103-F193 HydrophobicContact CD1-CE2 4.01Å; L103-F193 HydrophobicContact CD2-CD2 3.93Å; L103-F193 HydrophobicContact CD2-CE2 3.63Å; L103-F193 HydrophobicContact CG-CD2 4.02Å; L103-F193 HydrophobicContact CG-CE2 3.69Å; L103-F193 HydrophobicContact CG-CZ 4.46Å; F110-F193 AromaticContact CE1-CE2 3.71Å; F110-F193 HydrophobicContact CE1-CE2 3.71Å; F110-F193 HydrophobicContact CE1-CZ 4.07Å; F110-F193 HydrophobicContact CE2-CZ 4.48Å; F110-F193 AromaticContact CZ-CE2 3.78Å; F110-F193 HydrophobicContact CZ-CE2 3.78Å; F110-F193 AromaticContact CZ-CZ 3.68Å; F110-F193 HydrophobicContact CZ-CZ 3.68Å; P190-F193 WeakPolarHBondContact O-CD2 3.23Å; P190-F193 PolarHBondContact O-N 3.11Å; E191-F193 PolarHBondContact O-N 2.98Å; F193-G197 WeakPolarHBondContact O-CA 3.24Å; F193-G197 PolarHBondContact O-N 3.4Å
194Q95.6Very high94.2Very high137 Ų13737.6 Ų37.664%0.6419%0.192SC*.Hα-helixtrans-67.4-44.3172-59.8-178.77.400110.5E191 I192 G197 A198E191-Q194 WeakPolarHBondContact O-CB 3.39Å; E191-Q194 PolarHBondContact O-N 3.33Å; I192-Q194 PolarHBondContact O-N 3.2Å; Q194-G197 PolarHBondContact O-N 2.97Å; Q194-A198 PolarHBondContact O-N 3.08Å
195H95.3Very high93.5Very high41 Ų4143.4 Ų43.419%0.1922%0.218CC..Hα-helixtrans-65.4-45.7177.5-68.6-75.9000111.9F139 I192 G197 A198 V199 L232 K237F139-H195 AromaticContact CE2-CD2 3.99Å; I192-H195 WeakPolarHBondContact O-CB 3.3Å; I192-H195 PolarHBondContact O-N 2.7Å; I192-H195 VanDerWaalsContact O-N 3.15Å; H195-G197 VanDerWaalsContact C-N 3.32Å; H195-G197 PolarHBondContact O-N 2.82Å; H195-A198 PolarHBondContact O-N 3.02Å; H195-V199 PolarHBondContact O-N 3.22Å; H195-L232 VanDerWaalsContact CE1-CD2 3.43Å; H195-L232 WeakPolarHBondContact CE1-CD2 3.35Å; H195-K237 PolarHBondContact NE2-NZ 3.07Å
196I95.4Very high92.7Very high0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-66.4-37.4176.9-56166000111I95 Y96 I192 V199 F200 I222 L224 I228I95-I196 HydrophobicContact CG2-CD1 4.4Å; Y96-I196 HydrophobicContact CD2-CB 3.93Å; Y96-I196 HydrophobicContact CD2-CG2 3.74Å; Y96-I196 HydrophobicContact CG-CB 4.49Å; Y96-I196 HydrophobicContact CG-CG2 3.8Å; I192-I196 HydrophobicContact CG1-CD1 3.97Å; I192-I196 HydrophobicContact CG1-CG1 4.3Å; I192-I196 HydrophobicContact CG2-CD1 4.44Å; I192-I196 WeakPolarHBondContact O-CG1 3.27Å; I192-I196 PolarHBondContact O-N 3.49Å; I196-V199 PolarHBondContact O-N 3.33Å; I196-F200 WeakPolarHBondContact O-CB 3.2Å; I196-F200 PolarHBondContact O-N 3.45Å; I196-I222 HydrophobicContact CG2-CD1 3.52Å; I196-I222 HydrophobicContact CG2-CG2 4.23Å; I196-L224 HydrophobicContact CD1-CD2 4.36Å; I196-I228 HydrophobicContact CB-CD1 4.27Å; I196-I228 HydrophobicContact CG1-CD1 3.87Å; I196-I228 HydrophobicContact CG1-CG1 4.16Å
197G94.9Very high91.6Very high5 Ų549.9 Ų49.95%0.05225%0.251CS..Hα-helixtrans-65-37.6176.900000113.7Y96 F193 Q194 H195 F200 Q201Y96-G197 VanDerWaalsContact CZ-CA 3.47Å; Y96-G197 WeakPolarHBondContact OH-CA 3.24Å; F193-G197 WeakPolarHBondContact O-CA 3.24Å; F193-G197 PolarHBondContact O-N 3.4Å; Q194-G197 PolarHBondContact O-N 2.97Å; H195-G197 VanDerWaalsContact C-N 3.32Å; H195-G197 PolarHBondContact O-N 2.82Å; G197-F200 WeakPolarHBondContact O-CB 2.84Å; G197-F200 PolarHBondContact O-N 3.01Å; G197-Q201 WeakPolarHBondContact O-CG 3.26Å; G197-Q201 PolarHBondContact O-N 3.25Å
198A94.4Very high90.5Very high57 Ų5757.1 Ų57.147%0.47129%0.289SS..Hα-helixtrans-62.5-43.6174.200000111.8Q194 H195 Q201 K202Q194-A198 PolarHBondContact O-N 3.08Å; H195-A198 PolarHBondContact O-N 3.02Å; A198-Q201 PolarHBondContact O-N 3.2Å; A198-K202 WeakPolarHBondContact O-CB 3.42Å; A198-K202 PolarHBondContact O-N 3.47Å
199V93Very high89.2Confident24 Ų2463.5 Ų63.515%0.14532%0.323CS..Hα-helixtrans-63.1-44.3174.2172.40000111.1H195 I196 Q201 K202 N203 I222 D227 I228H195-V199 PolarHBondContact O-N 3.22Å; I196-V199 PolarHBondContact O-N 3.33Å; V199-Q201 PolarHBondContact O-N 3.28Å; V199-K202 PolarHBondContact O-N 3.4Å; V199-N203 WeakPolarHBondContact O-CB 3.36Å; V199-N203 VanDerWaalsContact O-CG 3.23Å; V199-N203 PolarHBondContact O-N 2.92Å; V199-N203 PolarHBondContact O-OD1 3.31Å; V199-I222 HydrophobicContact CG1-CD1 4.46Å; V199-I222 HydrophobicContact CG1-CG1 4.2Å; V199-I222 HydrophobicContact CG1-CG2 4.08Å; V199-D227 HydrophobicContact CG1-CB 3.87Å; V199-D227 HydrophobicContact CG2-CB 4.33Å; V199-I228 HydrophobicContact CB-CD1 4.22Å; V199-I228 HydrophobicContact CG2-CD1 3.64Å
200F91.3Very high87.7Confident37 Ų3769.5 Ų69.516%0.16235%0.351CS..Hα-helixtrans-57.3-46.9177.4-179.9-101000112.4Y96 I196 G197 N203 Q204 E220 I222Y96-F200 HydrophobicContact CD1-CB 4.22Å; Y96-F200 HydrophobicContact CD1-CD2 4.16Å; Y96-F200 HydrophobicContact CD1-CG 4.06Å; Y96-F200 HydrophobicContact CE1-CB 3.87Å; Y96-F200 AromaticContact CE1-CD1 3.75Å; Y96-F200 HydrophobicContact CE1-CD1 3.75Å; Y96-F200 HydrophobicContact CE1-CD2 4.14Å; Y96-F200 HydrophobicContact CE1-CE1 4.28Å; Y96-F200 AromaticContact CE1-CG 3.64Å; Y96-F200 HydrophobicContact CE1-CG 3.64Å; I196-F200 WeakPolarHBondContact O-CB 3.2Å; I196-F200 PolarHBondContact O-N 3.45Å; G197-F200 WeakPolarHBondContact O-CB 2.84Å; G197-F200 PolarHBondContact O-N 3.01Å; F200-N203 PolarHBondContact O-N 3.15Å; F200-Q204 HydrophobicContact CE1-CG 4.22Å; F200-Q204 HydrophobicContact CZ-CG 4.31Å; F200-Q204 WeakPolarHBondContact O-CG 3.41Å; F200-Q204 PolarHBondContact O-N 3.24Å; F200-E220 HydrophobicContact CE2-CB 4.23Å; F200-E220 HydrophobicContact CE2-CG 3.8Å; F200-E220 HydrophobicContact CZ-CG 4.48Å; F200-I222 HydrophobicContact CB-CD1 3.9Å; F200-I222 HydrophobicContact CD2-CD1 4.3Å
201Q90.8Very high85.9Confident129 Ų12975.1 Ų75.160%0.60337%0.372SS*.Hα-helixtrans-63.8-42.8178.1-71.8172.511.700111.8G197 A198 V199 Q204 Q205G197-Q201 WeakPolarHBondContact O-CG 3.26Å; G197-Q201 PolarHBondContact O-N 3.25Å; A198-Q201 PolarHBondContact O-N 3.2Å; V199-Q201 PolarHBondContact O-N 3.28Å; Q201-Q204 PolarHBondContact O-N 2.82Å; Q201-Q205 PolarHBondContact O-N 3.42Å
202K88.8Confident83.9Confident127 Ų12779.8 Ų79.855%0.55241%0.406SS*.Hα-helixtrans-59.2-49.8174.9-175.4-173.1173.1-172.10111.3A198 V199 Q204 Q205 D206A198-K202 WeakPolarHBondContact O-CB 3.42Å; A198-K202 PolarHBondContact O-N 3.47Å; V199-K202 PolarHBondContact O-N 3.4Å; K202-Q204 VanDerWaalsContact C-N 3.26Å; K202-Q204 PolarHBondContact O-N 3.24Å; K202-Q205 WeakPolarHBondContact O-CB 3.5Å; K202-Q205 PolarHBondContact O-N 2.87Å; K202-D206 PolarHBondContact O-N 2.87Å
203N86.9Confident81.5Confident33 Ų3385.3 Ų85.318%0.17644%0.44CS..Hα-helixtrans-60.3-35.7179-69.4-3.5000112.3V199 F200 M207 A219V199-N203 WeakPolarHBondContact O-CB 3.36Å; V199-N203 VanDerWaalsContact O-CG 3.23Å; V199-N203 PolarHBondContact O-N 2.92Å; V199-N203 PolarHBondContact O-OD1 3.31Å; F200-N203 PolarHBondContact O-N 3.15Å; N203-M207 WeakPolarHBondContact O-CG 3.31Å; N203-M207 PolarHBondContact O-N 3.36Å; N203-A219 HydrophobicContact CB-CB 4.21Å; N203-A219 WeakPolarHBondContact CB-O 3.24Å; N203-A219 PolarHBondContact ND2-O 2.99Å
204Q83.9Confident78.9Confident91 Ų9193.1 Ų93.143%0.42548%0.482SS..Hα-helixtrans-65.5-42.8173.5-77.3-168.4-14.700112.1F200 Q201 K202 M207 L208 A219F200-Q204 HydrophobicContact CE1-CG 4.22Å; F200-Q204 HydrophobicContact CZ-CG 4.31Å; F200-Q204 WeakPolarHBondContact O-CG 3.41Å; F200-Q204 PolarHBondContact O-N 3.24Å; Q201-Q204 PolarHBondContact O-N 2.82Å; K202-Q204 VanDerWaalsContact C-N 3.26Å; K202-Q204 PolarHBondContact O-N 3.24Å; Q204-M207 PolarHBondContact O-N 3.16Å; Q204-L208 WeakPolarHBondContact O-CG 3.35Å; Q204-L208 PolarHBondContact O-N 3.42Å; Q204-A219 HydrophobicContact CB-CB 4.29Å; Q204-A219 HydrophobicContact CG-CB 3.57Å
205Q82.6Confident76.6Confident125 Ų12589 Ų8958%0.58448%0.476SS*.Hα-helixtrans-65.7-44.2179.3-170.9170.81800111.6Q201 K202 M207 L208 L209Q201-Q205 PolarHBondContact O-N 3.42Å; K202-Q205 WeakPolarHBondContact O-CB 3.5Å; K202-Q205 PolarHBondContact O-N 2.87Å; Q205-M207 VanDerWaalsContact C-N 3.29Å; Q205-M207 PolarHBondContact O-N 3.39Å; Q205-L208 PolarHBondContact O-N 3.4Å; Q205-L208 VanDerWaalsContact O-N 3.11Å; Q205-L209 HydrophobicContact CG-CD1 4.31Å; Q205-L209 WeakPolarHBondContact O-CG 3.47Å; Q205-L209 PolarHBondContact O-N 3.23Å
206D82.1Confident74.3Confident63 Ų6398 Ų9834%0.33751%0.508SS..Hα-helixtrans-60.2-40.1177.8-67.1-16.6000110.8K202 L208 L209 E210K202-D206 PolarHBondContact O-N 2.87Å; D206-L208 VanDerWaalsContact C-N 3.32Å; D206-L208 PolarHBondContact O-N 2.97Å; D206-L209 PolarHBondContact O-N 3.47Å; D206-L209 VanDerWaalsContact O-N 3.12Å; D206-E210 PolarHBondContact O-N 2.78Å; D206-E210 VanDerWaalsContact O-N 3.12Å
207M75.4Confident72.3Confident73 Ų73105.1 Ų105.136%0.3654%0.542SS..Hα-helixtrans-66.2-27.4175.4-78.6-172.5-173.900115.3N203 Q204 Q205 L209 Q217 A219N203-M207 WeakPolarHBondContact O-CG 3.31Å; N203-M207 PolarHBondContact O-N 3.36Å; Q204-M207 PolarHBondContact O-N 3.16Å; Q205-M207 VanDerWaalsContact C-N 3.29Å; Q205-M207 PolarHBondContact O-N 3.39Å; M207-L209 VanDerWaalsContact C-N 3.25Å; M207-Q217 HydrophobicContact CE-CB 3.86Å; M207-Q217 WeakPolarHBondContact CE-O 3.47Å; M207-A219 HydrophobicContact CE-CB 4.36Å; M207-A219 HydrophobicContact SD-CB 3.68Å; M207-A219 PolarHBondContact SD-N 3.22Å
208L73.9Confident70.7Confident152 Ų152109.8 Ų109.880%0.79656%0.558SS**Hα-helixtrans-76.3-19.2175.8-68.8169.6000111.9Q204 Q205 D206Q204-L208 WeakPolarHBondContact O-CG 3.35Å; Q204-L208 PolarHBondContact O-N 3.42Å; Q205-L208 PolarHBondContact O-N 3.4Å; Q205-L208 VanDerWaalsContact O-N 3.11Å; D206-L208 VanDerWaalsContact C-N 3.32Å; D206-L208 PolarHBondContact O-N 2.97Å
209L70.2Confident69.3Low135 Ų135107.7 Ų107.771%0.70754%0.54SS*.Hα-helixtrans-98.6-21.9-176.1-63.7173.2000113.2Q205 D206 M207Q205-L209 HydrophobicContact CG-CD1 4.31Å; Q205-L209 WeakPolarHBondContact O-CG 3.47Å; Q205-L209 PolarHBondContact O-N 3.23Å; D206-L209 PolarHBondContact O-N 3.47Å; D206-L209 VanDerWaalsContact O-N 3.12Å; M207-L209 VanDerWaalsContact C-N 3.25Å
210E64Low68.4Low133 Ų133110.2 Ų110.262%0.62155%0.551SS**SBendtrans-94.9132.5179.6-67.7-176.117200112.1D206D206-E210 PolarHBondContact O-N 2.78Å; D206-E210 VanDerWaalsContact O-N 3.12Å
211E57.2Low68Low168 Ų168110.1 Ų110.179%0.78556%0.557SS**  trans-63143.9167.5-74.1-142.4166.400110T213E211-T213 VanDerWaalsContact C-N 3.26Å; E211-T213 PolarHBondContact O-N 2.82Å
212P52.8Low67.9Low130 Ų130104 Ų10484%0.84453%0.528SS*.  trans-67.883.2-174.127.8-34.1000110.8N214P212-N214 PolarHBondContact O-N 2.99Å
213T47Very low68Low116 Ų116104.4 Ų104.471%0.71253%0.526SS*.  trans-85.5109.1174.355.60000108.5E211 G215E211-T213 VanDerWaalsContact C-N 3.26Å; E211-T213 PolarHBondContact O-N 2.82Å; T213-G215 VanDerWaalsContact C-N 3.28Å; T213-G215 PolarHBondContact O-N 2.89Å
214N41.6Very low68.3Low180 Ų180102.8 Ų102.896%0.96352%0.518SS*.SBendtrans5.658166.9-70.8-21.4000119.3P212P212-N214 PolarHBondContact O-N 2.99Å
215G46.4Very low68.7Low49 Ų4999.6 Ų99.651%0.50550%0.503SS..  trans-159.2121.5174.600000109.8T213 Q217T213-G215 VanDerWaalsContact C-N 3.28Å; T213-G215 PolarHBondContact O-N 2.89Å; G215-Q217 PolarHBondContact O-N 2.93Å
216W46.8Very low69Low230 Ų23097.7 Ų97.787%0.87149%0.494SS*.  trans-69.145.6176.2-63.881.7000112.6R218W216-R218 PolarHBondContact O-N 2.79Å
217Q54.8Low69.5Low151 Ų15197.1 Ų97.171%0.70649%0.491SS*.  trans-69.5121.8166.9-90.7169.8-38.600107M207 G215M207-Q217 HydrophobicContact CE-CB 3.86Å; M207-Q217 WeakPolarHBondContact CE-O 3.47Å; G215-Q217 PolarHBondContact O-N 2.93Å
218R61Low70.5Confident102 Ų10293.8 Ų93.839%0.38547%0.474SS..  trans-104.4139174.5-64.1-174-177.3-164.13108.5W216 E220 A221W216-R218 PolarHBondContact O-N 2.79Å; R218-E220 PolarHBondContact O-N 2.78Å; R218-E220 VanDerWaalsContact O-N 3.09Å; R218-A221 VanDerWaalsContact O-CB 3.26Å; R218-A221 WeakPolarHBondContact O-CB 3.32Å; R218-A221 PolarHBondContact O-N 3.02Å
219A63.9Low71.5Confident13 Ų1386.6 Ų86.611%0.10744%0.437CS..THydrogen-bonded Turntrans-58.2-28.9-179.500000111.7N203 Q204 M207 A221N203-A219 HydrophobicContact CB-CB 4.21Å; N203-A219 WeakPolarHBondContact CB-O 3.24Å; N203-A219 PolarHBondContact ND2-O 2.99Å; Q204-A219 HydrophobicContact CB-CB 4.29Å; Q204-A219 HydrophobicContact CG-CB 3.57Å; M207-A219 HydrophobicContact CE-CB 4.36Å; M207-A219 HydrophobicContact SD-CB 3.68Å; M207-A219 PolarHBondContact SD-N 3.22Å; A219-A221 PolarHBondContact O-N 2.85Å
220E75Confident72.7Confident78 Ų7883.5 Ų83.536%0.36442%0.424SS..THydrogen-bonded Turntrans-70.7-14.5176.6-54.8164.7149.900113.7L89 G93 F200 R218 I222L89-E220 HydrophobicContact CD2-CB 3.62Å; G93-E220 WeakPolarHBondContact CA-O 3.34Å; F200-E220 HydrophobicContact CE2-CB 4.23Å; F200-E220 HydrophobicContact CE2-CG 3.8Å; F200-E220 HydrophobicContact CZ-CG 4.48Å; R218-E220 PolarHBondContact O-N 2.78Å; R218-E220 VanDerWaalsContact O-N 3.09Å; E220-I222 PolarHBondContact O-N 2.83Å
221A82.1Confident74.1Confident35 Ų3579.8 Ų79.829%0.28942%0.416SS..  trans-79.9103.2-18000000110.5L89 R218 A219L89-A221 WeakPolarHBondContact O-CA 3.49Å; R218-A221 VanDerWaalsContact O-CB 3.26Å; R218-A221 WeakPolarHBondContact O-CB 3.32Å; R218-A221 PolarHBondContact O-N 3.02Å; A219-A221 PolarHBondContact O-N 2.85Å
222I89.1Confident75.9Confident0 Ų071.9 Ų71.90%038%0.379CS..BIsolated β-bridgetrans-118.6135.5-179.1-58.5170.2000109.5L89 G90 T91 G92 I196 V199 F200 E220 D227 I228L89-I222 PolarHBondContact O-N 3.36Å; G90-I222 CarbonylContact C-O 3.51Å; G90-I222 WeakPolarHBondContact CA-O 3.42Å; T91-I222 PolarHBondContact N-O 3.38Å; G92-I222 PolarHBondContact N-O 3.12Å; I196-I222 HydrophobicContact CG2-CD1 3.52Å; I196-I222 HydrophobicContact CG2-CG2 4.23Å; V199-I222 HydrophobicContact CG1-CD1 4.46Å; V199-I222 HydrophobicContact CG1-CG1 4.2Å; V199-I222 HydrophobicContact CG1-CG2 4.08Å; F200-I222 HydrophobicContact CB-CD1 3.9Å; F200-I222 HydrophobicContact CD2-CD1 4.3Å; E220-I222 PolarHBondContact O-N 2.83Å; I222-D227 HydrophobicContact CG2-CB 4.33Å; I222-I228 HydrophobicContact CG2-CD1 4.38Å; I222-I228 HydrophobicContact CG2-CG1 4.3Å
223R91.2Very high78Confident135 Ų13566.5 Ų66.551%0.50935%0.345SS..  trans-108.9112.4176.5-61.2175.3-174.4-179.84.9108.8T91 E225 Q226 D227T91-R223 WeakPolarHBondContact OG1-CA 3.37Å; R223-E225 PolarHBondContact O-N 3.21Å; R223-Q226 HydrophobicContact CB-CB 4.2Å; R223-Q226 PolarHBondContact O-N 3.14Å; R223-D227 PolarHBondContact N-OD2 3.29Å; R223-D227 VanDerWaalsContact O-CB 3.29Å; R223-D227 WeakPolarHBondContact O-CB 3.36Å; R223-D227 PolarHBondContact O-N 2.87Å
224L93Very high80.2Confident0 Ų063.2 Ų63.20%033%0.334CS..Iπ-helixtrans-52.1-45.7178.2-71.2174.9000111.3T91 I95 Y186 F188 I196 I228 F229T91-L224 PolarHBondContact OG1-N 2.82Å; I95-L224 HydrophobicContact CD1-CD1 3.87Å; Y186-L224 HydrophobicContact CD2-CD1 4.18Å; Y186-L224 HydrophobicContact CE2-CD1 3.89Å; F188-L224 HydrophobicContact CE2-CD1 4.48Å; I196-L224 HydrophobicContact CD1-CD2 4.36Å; L224-I228 HydrophobicContact CD2-CB 4.49Å; L224-I228 HydrophobicContact CD2-CG1 4.16Å; L224-I228 WeakPolarHBondContact O-CA 3.11Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 PolarHBondContact O-N 3.16Å; L224-I228 VanDerWaalsContact O-N 3.12Å; L224-F229 HydrophobicContact CB-CE1 4.44Å; L224-F229 HydrophobicContact CB-CE2 4.05Å; L224-F229 HydrophobicContact CB-CZ 3.92Å; L224-F229 WeakPolarHBondContact O-CG 3.44Å; L224-F229 PolarHBondContact O-N 3.37Å
225E92.3Very high82.7Confident24 Ų2460 Ų6011%0.11231%0.313CS..Iπ-helixtrans-65-45.1-174.3-61.281.5-177.300112.5T91 Y169 E171 Y186 R223 F229 T230T91-E225 PolarHBondContact OG1-OE2 3.35Å; Y169-E225 VanDerWaalsContact CD1-O 3.28Å; Y169-E225 WeakPolarHBondContact CD1-O 3.34Å; Y169-E225 HydrophobicContact CE1-CB 3.96Å; Y169-E225 WeakPolarHBondContact CE1-O 3.47Å; Y169-E225 WeakPolarHBondContact OH-CB 3.44Å; Y169-E225 WeakPolarHBondContact OH-CG 3.4Å; E171-E225 HydrophobicContact CG-CB 4.35Å; E171-E225 WeakPolarHBondContact OE2-CB 3.26Å; Y186-E225 PolarHBondContact OH-OE1 3.21Å; R223-E225 PolarHBondContact O-N 3.21Å; E225-F229 HydrophobicContact CG-CD2 4.47Å; E225-F229 HydrophobicContact CG-CE2 4.44Å; E225-T230 PolarHBondContact O-OG1 3.06Å
226Q90.2Very high84.9Confident84 Ų8458.9 Ų58.939%0.39330%0.302SS..Iπ-helixtrans-89.9-41-174.1-67.2-176-43.700112.4E171 R223 T230E171-Q226 HydrophobicContact CB-CG 3.86Å; E171-Q226 HydrophobicContact CG-CG 4.02Å; R223-Q226 HydrophobicContact CB-CB 4.2Å; R223-Q226 PolarHBondContact O-N 3.14Å; Q226-T230 VanDerWaalsContact O-CB 3.28Å; Q226-T230 WeakPolarHBondContact O-CB 3.39Å; Q226-T230 PolarHBondContact O-OG1 3.15Å
227D92.2Very high87.1Confident52 Ų5250.4 Ų50.428%0.27827%0.271SS..Iπ-helixtrans-95.6-27.6-168.6-50-36.7000112.6V199 I222 R223V199-D227 HydrophobicContact CG1-CB 3.87Å; V199-D227 HydrophobicContact CG2-CB 4.33Å; I222-D227 HydrophobicContact CG2-CB 4.33Å; R223-D227 PolarHBondContact N-OD2 3.29Å; R223-D227 VanDerWaalsContact O-CB 3.29Å; R223-D227 WeakPolarHBondContact O-CB 3.36Å; R223-D227 PolarHBondContact O-N 2.87Å
228I95.8Very high89.1Confident3 Ų343.3 Ų43.32%0.01524%0.238CC..Iπ-helixtrans-106.8-56.4-174.2-52.1-63.2000111.3I192 I196 V199 I222 L224 A231 L232I192-I228 HydrophobicContact CD1-CG2 3.95Å; I196-I228 HydrophobicContact CB-CD1 4.27Å; I196-I228 HydrophobicContact CG1-CD1 3.87Å; I196-I228 HydrophobicContact CG1-CG1 4.16Å; V199-I228 HydrophobicContact CB-CD1 4.22Å; V199-I228 HydrophobicContact CG2-CD1 3.64Å; I222-I228 HydrophobicContact CG2-CD1 4.38Å; I222-I228 HydrophobicContact CG2-CG1 4.3Å; L224-I228 HydrophobicContact CD2-CB 4.49Å; L224-I228 HydrophobicContact CD2-CG1 4.16Å; L224-I228 WeakPolarHBondContact O-CA 3.11Å; L224-I228 WeakPolarHBondContact O-CB 3.32Å; L224-I228 PolarHBondContact O-N 3.16Å; L224-I228 VanDerWaalsContact O-N 3.12Å; I228-A231 PolarHBondContact O-N 2.98Å; I228-A231 VanDerWaalsContact O-N 3.14Å; I228-L232 HydrophobicContact CG2-CD1 3.68Å; I228-L232 HydrophobicContact CG2-CG 4.35Å; I228-L232 WeakPolarHBondContact O-CG 3.31Å; I228-L232 PolarHBondContact O-N 3.22Å
229F96Very high90.8Very high0 Ų039.4 Ų39.40%022%0.224CC..Iπ-helixtrans-67.9-40.8-174.9-58.3-25.8000112.8I141 Y169 Y186 F188 L224 E225 A231 L232 A233 L238I141-F229 HydrophobicContact CD1-CB 4.4Å; I141-F229 HydrophobicContact CD1-CD1 3.86Å; I141-F229 HydrophobicContact CD1-CD2 3.67Å; I141-F229 HydrophobicContact CD1-CE1 3.98Å; I141-F229 HydrophobicContact CD1-CE2 3.81Å; I141-F229 HydrophobicContact CD1-CG 3.72Å; I141-F229 HydrophobicContact CD1-CZ 3.96Å; I141-F229 HydrophobicContact CG1-CE1 4.42Å; I141-F229 HydrophobicContact CG1-CZ 4.33Å; Y169-F229 HydrophobicContact CD1-CB 4.04Å; Y169-F229 HydrophobicContact CD2-CB 4Å; Y169-F229 HydrophobicContact CD2-CD2 4.46Å; Y169-F229 HydrophobicContact CE1-CB 4.39Å; Y169-F229 HydrophobicContact CE2-CB 4.32Å; Y169-F229 AromaticContact CE2-CD2 3.99Å; Y169-F229 HydrophobicContact CE2-CD2 3.99Å; Y169-F229 HydrophobicContact CG-CB 3.87Å; Y186-F229 HydrophobicContact CD1-CE2 4.1Å; Y186-F229 AromaticContact CD1-CZ 3.69Å; Y186-F229 HydrophobicContact CD1-CZ 3.69Å; Y186-F229 HydrophobicContact CD2-CZ 4.27Å; Y186-F229 AromaticContact CE1-CE2 3.43Å; Y186-F229 HydrophobicContact CE1-CE2 3.43Å; Y186-F229 VanDerWaalsContact CE1-CE2 3.43Å; Y186-F229 AromaticContact CE1-CZ 3.5Å; Y186-F229 HydrophobicContact CE1-CZ 3.5Å; Y186-F229 HydrophobicContact CE2-CE2 4.34Å; Y186-F229 HydrophobicContact CE2-CZ 4.11Å; Y186-F229 HydrophobicContact CG-CZ 4.07Å; Y186-F229 AromaticContact CZ-CE2 3.56Å; Y186-F229 AromaticContact CZ-CZ 3.71Å; F188-F229 HydrophobicContact CE1-CE1 4.02Å; F188-F229 HydrophobicContact CE1-CZ 4.49Å; F188-F229 AromaticContact CZ-CE1 3.8Å; F188-F229 HydrophobicContact CZ-CE1 3.8Å; F188-F229 AromaticContact CZ-CZ 3.96Å; F188-F229 HydrophobicContact CZ-CZ 3.96Å; L224-F229 HydrophobicContact CB-CE1 4.44Å; L224-F229 HydrophobicContact CB-CE2 4.05Å; L224-F229 HydrophobicContact CB-CZ 3.92Å; L224-F229 WeakPolarHBondContact O-CG 3.44Å; L224-F229 PolarHBondContact O-N 3.37Å; E225-F229 HydrophobicContact CG-CD2 4.47Å; E225-F229 HydrophobicContact CG-CE2 4.44Å; F229-A231 PolarHBondContact O-N 3.3Å; F229-L232 PolarHBondContact O-N 3.25Å; F229-A233 WeakPolarHBondContact O-CB 3.27Å; F229-A233 PolarHBondContact O-N 3.29Å; F229-L238 HydrophobicContact CB-CD2 4.03Å; F229-L238 HydrophobicContact CD1-CD1 4.42Å; F229-L238 HydrophobicContact CD1-CD2 4.17Å; F229-L238 HydrophobicContact CG-CD2 4.32Å
230T94.3Very high92.4Very high71 Ų7138.8 Ų38.844%0.43622%0.218SC..Hα-helixtrans-56.5-38.3172.4-44.90000111.7E225 Q226E225-T230 PolarHBondContact O-OG1 3.06Å; Q226-T230 VanDerWaalsContact O-CB 3.28Å; Q226-T230 WeakPolarHBondContact O-CB 3.39Å; Q226-T230 PolarHBondContact O-OG1 3.15Å
231A94.1Very high93.5Very high55 Ų5537.8 Ų37.846%0.45521%0.211SC..Hα-helixtrans-75.5-36.5-179.500000112.3I228 F229 Q235I228-A231 PolarHBondContact O-N 2.98Å; I228-A231 VanDerWaalsContact O-N 3.14Å; F229-A231 PolarHBondContact O-N 3.3Å; A231-Q235 PolarHBondContact O-NE2 2.86Å
232L94.9Very high94.2Very high2 Ų240.5 Ų40.51%0.0122%0.217CC..Hα-helixtrans-79.1-21.6-179-70.4173.7000114F139 I192 H195 I228 F229 G234 Q235 K237 L238F139-L232 HydrophobicContact CD2-CD1 3.74Å; F139-L232 HydrophobicContact CE2-CD1 3.89Å; F139-L232 HydrophobicContact CE2-CD2 4.22Å; I192-L232 HydrophobicContact CD1-CD1 4.09Å; H195-L232 VanDerWaalsContact CE1-CD2 3.43Å; H195-L232 WeakPolarHBondContact CE1-CD2 3.35Å; I228-L232 HydrophobicContact CG2-CD1 3.68Å; I228-L232 HydrophobicContact CG2-CG 4.35Å; I228-L232 WeakPolarHBondContact O-CG 3.31Å; I228-L232 PolarHBondContact O-N 3.22Å; F229-L232 PolarHBondContact O-N 3.25Å; L232-G234 PolarHBondContact O-N 3.09Å; L232-Q235 WeakPolarHBondContact O-CB 3.26Å; L232-Q235 PolarHBondContact O-N 3.12Å; L232-K237 HydrophobicContact CD2-CB 4.24Å; L232-K237 HydrophobicContact CD2-CD 4.1Å; L232-L238 HydrophobicContact CB-CB 4.16Å; L232-L238 HydrophobicContact CB-CD2 4.24Å
233A95.6Very high94.5Very high17 Ų1740.8 Ų40.814%0.1422%0.219CC..THydrogen-bonded Turntrans-60.3132.7-178.700000111.4V166 L167 F229 Q235V166-A233 HydrophobicContact CG1-CB 4.08Å; V166-A233 CarbonylContact O-C 3.45Å; V166-A233 VanDerWaalsContact O-CA 3.28Å; V166-A233 WeakPolarHBondContact O-CA 3.28Å; L167-A233 CarbonylContact O-C 3.56Å; F229-A233 WeakPolarHBondContact O-CB 3.27Å; F229-A233 PolarHBondContact O-N 3.29Å; A233-Q235 VanDerWaalsContact C-N 3.3Å; A233-Q235 PolarHBondContact O-N 3.39Å
234G94.4Very high94.7Very high46 Ų4642.8 Ų42.847%0.47424%0.239SC..THydrogen-bonded Turntrans73.813.5-178.300000115.2E165 V166 L167 L232E165-G234 WeakPolarHBondContact OE1-CA 3.18Å; V166-G234 PolarHBondContact O-N 3.03Å; L167-G234 PolarHBondContact O-N 3.01Å; L232-G234 PolarHBondContact O-N 3.09Å
235Q93.8Very high94.7Very high112 Ų11245.5 Ų45.552%0.52326%0.257SS..THydrogen-bonded Turntrans-103.58177.6-57.6-168.7-4.800113.9A231 L232 A233 K237A231-Q235 PolarHBondContact O-NE2 2.86Å; L232-Q235 WeakPolarHBondContact O-CB 3.26Å; L232-Q235 PolarHBondContact O-N 3.12Å; A233-Q235 VanDerWaalsContact C-N 3.3Å; A233-Q235 PolarHBondContact O-N 3.39Å; Q235-K237 PolarHBondContact O-N 2.97Å
236G92.8Very high94.8Very high26 Ų2646.7 Ų46.727%0.26826%0.262SS..THydrogen-bonded Turntrans6818.6-175.300000114.4E165 Y239E165-G236 VanDerWaalsContact OE1-CA 3.3Å; E165-G236 WeakPolarHBondContact OE1-CA 3.24Å; E165-G236 PolarHBondContact OE1-N 2.88Å; G236-Y239 PolarHBondContact O-OH 3.46Å
237K93.6Very high95.1Very high53 Ų5343.2 Ų43.223%0.2325%0.246CC..  trans-112.9-20.4-176.4-69.8-162.5178.6-159.60114.8S138 F139 E191 H195 L232 Q235S138-K237 CarbonylContact C-O 3.53Å; S138-K237 WeakPolarHBondContact CA-O 3.49Å; F139-K237 HydrophobicContact CD2-CB 4.39Å; F139-K237 WeakPolarHBondContact CD2-O 3.26Å; F139-K237 HydrophobicContact CE2-CB 4.41Å; F139-K237 PolarHBondContact N-O 3.01Å; E191-K237 IonicContact OE1-NZ 3.7Å; E191-K237 PolarHBondContact OE1-NZ 2.86Å; H195-K237 PolarHBondContact NE2-NZ 3.07Å; L232-K237 HydrophobicContact CD2-CB 4.24Å; L232-K237 HydrophobicContact CD2-CD 4.1Å; Q235-K237 PolarHBondContact O-N 2.97Å
238L96.1Very high95.2Very high1 Ų141 Ų411%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-121.1125.9-171.7-171.664000109.5F139 I141 V166 F229 L232F139-L238 HydrophobicContact CB-CD1 3.81Å; I141-L238 HydrophobicContact CD1-CD1 3.71Å; I141-L238 HydrophobicContact CD1-CD2 3.71Å; I141-L238 HydrophobicContact CD1-CG 3.96Å; I141-L238 HydrophobicContact CG1-CD1 3.69Å; I141-L238 HydrophobicContact CG1-CG 4.32Å; V166-L238 HydrophobicContact CB-CB 4.22Å; V166-L238 HydrophobicContact CB-CD2 4.05Å; V166-L238 HydrophobicContact CB-CG 4.01Å; V166-L238 HydrophobicContact CG1-CD2 4.07Å; V166-L238 HydrophobicContact CG2-CD2 4.27Å; V166-L238 HydrophobicContact CG2-CG 3.94Å; V166-L238 PolarHBondContact N-O 2.85Å; F229-L238 HydrophobicContact CB-CD2 4.03Å; F229-L238 HydrophobicContact CD1-CD1 4.42Å; F229-L238 HydrophobicContact CD1-CD2 4.17Å; F229-L238 HydrophobicContact CG-CD2 4.32Å; L232-L238 HydrophobicContact CB-CB 4.16Å; L232-L238 HydrophobicContact CB-CD2 4.24Å
239Y97.2Very high95Very high21 Ų2142.2 Ų42.28%0.08224%0.24CC..EExtended strand (participates in β ladder)trans-124.9150.9-177.5-65.7-99.5000110.4F139 V140 I141 T163 N164 E165 G236F139-Y239 PolarHBondContact O-N 3.09Å; V140-Y239 CarbonylContact C-O 3.52Å; V140-Y239 WeakPolarHBondContact CA-O 3.43Å; I141-Y239 PolarHBondContact N-O 2.76Å; T163-Y239 WeakPolarHBondContact O-CD1 3.42Å; T163-Y239 WeakPolarHBondContact O-CE1 3.43Å; N164-Y239 CarbonylContact O-C 3.59Å; N164-Y239 VanDerWaalsContact O-CA 3.28Å; N164-Y239 WeakPolarHBondContact O-CA 3.33Å; E165-Y239 HydrophobicContact CB-CD1 4.24Å; E165-Y239 HydrophobicContact CB-CE1 3.99Å; G236-Y239 PolarHBondContact O-OH 3.46Å
240V97.6Very high94.8Very high0 Ų042.3 Ų42.30%024%0.241CC..EExtended strand (participates in β ladder)trans-107.7125.6177.158.70000110.7I141 I157 E159 N164 V166 I180 K242I141-V240 CarbonylContact O-C 3.53Å; I141-V240 WeakPolarHBondContact O-CA 3.31Å; I157-V240 HydrophobicContact CD1-CG2 4.01Å; I157-V240 HydrophobicContact CG2-CB 4.16Å; I157-V240 HydrophobicContact CG2-CG1 4.14Å; I157-V240 HydrophobicContact CG2-CG2 4.39Å; E159-V240 HydrophobicContact CB-CG1 3.66Å; E159-V240 VanDerWaalsContact OE2-CG1 3.27Å; E159-V240 WeakPolarHBondContact OE2-CG1 3.31Å; N164-V240 PolarHBondContact O-N 3.28Å; V166-V240 HydrophobicContact CG2-CB 3.98Å; V166-V240 HydrophobicContact CG2-CG1 4.3Å; I180-V240 HydrophobicContact CG2-CG2 4.24Å; V240-K242 HydrophobicContact CG2-CG 4.26Å
241Y97.5Very high94.4Very high56 Ų5640.8 Ų40.822%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-95.8111.3166.4179.4-99000108.7P122 E125 M126 F129 I141 L142 G143P122-Y241 HydrophobicContact CB-CE1 4.17Å; P122-Y241 HydrophobicContact CG-CE1 4.03Å; E125-Y241 HydrophobicContact CB-CE1 4.17Å; E125-Y241 HydrophobicContact CB-CE2 4.37Å; E125-Y241 VanDerWaalsContact CB-OH 3.31Å; E125-Y241 WeakPolarHBondContact CB-OH 3.1Å; M126-Y241 HydrophobicContact CG-CD1 3.69Å; M126-Y241 HydrophobicContact CG-CE1 4.37Å; M126-Y241 HydrophobicContact CG-CG 4.05Å; F129-Y241 HydrophobicContact CB-CD2 3.8Å; F129-Y241 HydrophobicContact CB-CE2 4.28Å; F129-Y241 HydrophobicContact CD1-CD2 4.38Å; F129-Y241 AromaticContact CD2-CD2 3.65Å; F129-Y241 HydrophobicContact CD2-CD2 3.65Å; F129-Y241 HydrophobicContact CD2-CE2 4.35Å; F129-Y241 HydrophobicContact CE2-CD2 4.28Å; F129-Y241 AromaticContact CG-CD2 3.69Å; F129-Y241 HydrophobicContact CG-CD2 3.69Å; F129-Y241 HydrophobicContact CG-CG 4.46Å; I141-Y241 PolarHBondContact O-N 3.06Å; L142-Y241 HydrophobicContact CD1-CD1 3.74Å; L142-Y241 HydrophobicContact CD1-CE1 4.39Å; G143-Y241 PolarHBondContact N-O 2.94Å
242K97.1Very high94Very high92 Ų9239.7 Ų39.740%0.422%0.217SC..EExtended strand (participates in β ladder)trans-83.9121.9-179.7-69.7-177.4-68.7-177.30111.4G143 E159 I180 V240G143-K242 WeakPolarHBondContact O-CA 3.25Å; E159-K242 VanDerWaalsContact OE1-CE 3.26Å; E159-K242 WeakPolarHBondContact OE1-CE 3.29Å; E159-K242 IonicContact OE1-NZ 3.03Å; E159-K242 PolarHBondContact OE1-NZ 3.31Å; E159-K242 VanDerWaalsContact OE2-CD 3.24Å; E159-K242 WeakPolarHBondContact OE2-CD 3.3Å; E159-K242 WeakPolarHBondContact OE2-CE 3.24Å; E159-K242 IonicContact OE2-NZ 3.75Å; I180-K242 HydrophobicContact CD1-CD 4.01Å; I180-K242 HydrophobicContact CG1-CD 4.36Å; I180-K242 HydrophobicContact CG2-CG 4.49Å; V240-K242 HydrophobicContact CG2-CG 4.26Å
243T95.8Very high93.6Very high7 Ų739.7 Ų39.74%0.04322%0.217CC..  trans-100.4139.5174.7-169.70000112.8L142 G143 T144 S245L142-T243 HydrophobicContact CD1-CG2 3.77Å; L142-T243 HydrophobicContact CD2-CG2 4.32Å; L142-T243 HydrophobicContact CG-CG2 4.14Å; G143-T243 PolarHBondContact O-N 3.08Å; T144-T243 PolarHBondContact OG1-O 3.13Å; T243-S245 WeakPolarHBondContact OG1-CB 3.46Å; T243-S245 PolarHBondContact OG1-N 2.97Å; T243-S245 VanDerWaalsContact OG1-N 3.08Å
244L93.6Very high93.2Very high177 Ų17739.1 Ų39.193%0.92721%0.213SC*.  trans-94-5.4168.1-58.6179.5000112.5
245S93.9Very high93Very high56 Ų5637 Ų3739%0.39219%0.191SC..SBendtrans-71.8162.7175.2-66.50000111.2T243T243-S245 WeakPolarHBondContact OG1-CB 3.46Å; T243-S245 PolarHBondContact OG1-N 2.97Å; T243-S245 VanDerWaalsContact OG1-N 3.08Å
246F94.5Very high93Very high50 Ų5031.7 Ų31.722%0.21917%0.166CC..  trans-61.6145.3179.773.7-98.2000111.8S119 A120 L262 Y263 Q266S119-F246 WeakPolarHBondContact CA-O 3.29Å; S119-F246 PolarHBondContact OG-O 2.91Å; A120-F246 HydrophobicContact CB-CD1 4.36Å; A120-F246 HydrophobicContact CB-CE1 4Å; A120-F246 HydrophobicContact CB-CZ 4.37Å; F246-L262 HydrophobicContact CB-CD1 4.3Å; F246-L262 HydrophobicContact CB-CD2 4.06Å; F246-L262 HydrophobicContact CD2-CB 3.87Å; F246-L262 HydrophobicContact CD2-CD1 3.7Å; F246-L262 HydrophobicContact CD2-CD2 4.49Å; F246-L262 HydrophobicContact CD2-CG 4.24Å; F246-L262 HydrophobicContact CE2-CB 3.93Å; F246-L262 HydrophobicContact CE2-CD1 4.38Å; F246-L262 HydrophobicContact CG-CB 4.23Å; F246-L262 HydrophobicContact CG-CD1 4.24Å; F246-L262 HydrophobicContact CG-CD2 4.26Å; F246-L262 HydrophobicContact CG-CG 4.49Å; F246-L262 HydrophobicContact CZ-CB 4.36Å; F246-Y263 HydrophobicContact CE2-CE1 4.23Å; F246-Y263 HydrophobicContact CZ-CD1 4.02Å; F246-Y263 AromaticContact CZ-CE1 3.96Å; F246-Y263 HydrophobicContact CZ-CE1 3.96Å; F246-Q266 HydrophobicContact CE1-CB 3.99Å; F246-Q266 HydrophobicContact CE1-CG 4.12Å; F246-Q266 HydrophobicContact CZ-CB 4.43Å; F246-Q266 VanDerWaalsContact CZ-OE1 3.24Å
247W95.5Very high93.1Very high10 Ų1030.9 Ų30.94%0.03816%0.155CC..EExtended strand (participates in β ladder)trans-148.9139.3173.1176.391.8000110.1C118 T144 Y154 I181 C183 Q249 K370C118-W247 CarbonylContact O-C 3.55Å; C118-W247 VanDerWaalsContact O-CA 3.29Å; C118-W247 WeakPolarHBondContact O-CA 3.49Å; T144-W247 HydrophobicContact CG2-CB 4.35Å; T144-W247 HydrophobicContact CG2-CD2 4.23Å; T144-W247 HydrophobicContact CG2-CE3 3.99Å; T144-W247 HydrophobicContact CG2-CG 4.41Å; Y154-W247 AromaticContact CD1-CH2 3.79Å; Y154-W247 HydrophobicContact CD1-CH2 3.79Å; Y154-W247 HydrophobicContact CD1-CZ3 4.5Å; Y154-W247 AromaticContact CE1-CH2 3.53Å; Y154-W247 HydrophobicContact CE1-CH2 3.53Å; Y154-W247 AromaticContact CE1-CZ3 4Å; Y154-W247 HydrophobicContact CE1-CZ3 4Å; I181-W247 HydrophobicContact CD1-CE3 4.22Å; I181-W247 HydrophobicContact CD1-CH2 3.86Å; I181-W247 HydrophobicContact CD1-CZ3 3.5Å; I181-W247 VanDerWaalsContact CD1-CZ3 3.5Å; C183-W247 HydrophobicContact CB-CD2 4.47Å; C183-W247 HydrophobicContact CB-CG 4.29Å; C183-W247 HydrophobicContact CB-CZ2 4.48Å; C183-W247 VanDerWaalsContact CB-NE1 3.31Å; C183-W247 PolarHBondContact O-NE1 3.19Å; W247-Q249 HydrophobicContact CH2-CG 3.73Å; W247-Q249 HydrophobicContact CZ2-CG 3.57Å; W247-K370 HydrophobicContact CE3-CD 4.46Å
248S94.5Very high93.1Very high6 Ų630.5 Ų30.54%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-156.4169.4172.9-169.80000110.7C118C118-S248 PolarHBondContact N-O 3.31Å; C118-S248 PolarHBondContact O-N 3.4Å
249Q91.9Very high93.1Very high29 Ų2930.4 Ų30.414%0.13615%0.152CC..EExtended strand (participates in β ladder)trans-114.1132.5173.7-66.1-178.3-43.700111.4D116 Y154 W247 K251 S255D116-Q249 CarbonylContact O-C 3.52Å; D116-Q249 WeakPolarHBondContact O-CA 3.39Å; Y154-Q249 VanDerWaalsContact CE1-OE1 3.26Å; W247-Q249 HydrophobicContact CH2-CG 3.73Å; W247-Q249 HydrophobicContact CZ2-CG 3.57Å; Q249-K251 VanDerWaalsContact C-N 3.32Å; Q249-K251 HydrophobicContact CB-CD 4.19Å; Q249-K251 HydrophobicContact CB-CG 4.13Å; Q249-K251 PolarHBondContact O-N 3.04Å; Q249-K251 VanDerWaalsContact O-N 3.1Å; Q249-S255 WeakPolarHBondContact O-CB 3.44Å; Q249-S255 PolarHBondContact O-OG 2.84Å
250I92.1Very high93.1Very high2 Ų229.5 Ų29.51%0.0115%0.149CC..  trans-88.472.3176.7-55.1169000108F17 K26 V31 M36 D116 C118 S255 A256 A259F17-I250 HydrophobicContact CE2-CG2 3.78Å; F17-I250 HydrophobicContact CZ-CG2 4.4Å; K26-I250 WeakPolarHBondContact CE-O 3.31Å; K26-I250 PolarHBondContact NZ-O 3.31Å; V31-I250 HydrophobicContact CG2-CD1 4.32Å; M36-I250 HydrophobicContact CE-CB 3.83Å; M36-I250 HydrophobicContact CE-CD1 3.7Å; M36-I250 HydrophobicContact CE-CG1 4.35Å; M36-I250 HydrophobicContact CE-CG2 3.98Å; M36-I250 HydrophobicContact CG-CD1 4Å; M36-I250 HydrophobicContact SD-CB 4.34Å; M36-I250 HydrophobicContact SD-CD1 3.96Å; M36-I250 HydrophobicContact SD-CG2 3.86Å; D116-I250 PolarHBondContact O-N 2.88Å; C118-I250 HydrophobicContact CB-CD1 3.99Å; C118-I250 HydrophobicContact CB-CG1 4.02Å; I250-S255 VanDerWaalsContact CA-OG 3.3Å; I250-S255 WeakPolarHBondContact CA-OG 3.17Å; I250-A256 HydrophobicContact CG2-CB 4.02Å; I250-A259 HydrophobicContact CD1-CB 3.71Å; I250-A259 HydrophobicContact CG1-CB 3.64Å
251K85.7Confident93Very high38 Ų3831.9 Ų31.917%0.16516%0.158CC..  trans-93.1-23.2-179.1-79.1172.8170.6169.90113.8R16 Q249 S255R16-K251 WeakPolarHBondContact CB-O 3.48Å; Q249-K251 VanDerWaalsContact C-N 3.32Å; Q249-K251 HydrophobicContact CB-CD 4.19Å; Q249-K251 HydrophobicContact CB-CG 4.13Å; Q249-K251 PolarHBondContact O-N 3.04Å; Q249-K251 VanDerWaalsContact O-N 3.1Å; K251-S255 PolarHBondContact N-OG 3.01Å
252S86.7Confident93Very high33 Ų3330.3 Ų30.323%0.23115%0.153CC..SBendtrans-135.4166.4-179.768.30000110.1F17 G254 S255 A256F17-S252 WeakPolarHBondContact CE2-O 3.44Å; S252-G254 PolarHBondContact O-N 3.22Å; S252-G254 PolarHBondContact OG-N 3.47Å; S252-S255 PolarHBondContact N-OG 3.03Å; S252-S255 PolarHBondContact O-N 3.28Å; S252-S255 PolarHBondContact O-OG 3.44Å; S252-S255 PolarHBondContact OG-N 2.88Å; S252-A256 PolarHBondContact O-N 3.31Å
253A84.9Confident93.1Very high2 Ų226.1 Ų26.12%0.01714%0.135CC..Hα-helixtrans-59.5-37.3172.600000112L20 S255 A256 I257 I342 I386 I388L20-A253 HydrophobicContact CD1-CB 3.85Å; A253-S255 VanDerWaalsContact C-N 3.34Å; A253-S255 PolarHBondContact O-N 2.6Å; A253-A256 VanDerWaalsContact O-CB 3.28Å; A253-A256 WeakPolarHBondContact O-CB 3.28Å; A253-A256 PolarHBondContact O-N 2.91Å; A253-A256 VanDerWaalsContact O-N 3.08Å; A253-I257 PolarHBondContact O-N 3.11Å; A253-I342 HydrophobicContact CB-CD1 4.02Å; A253-I386 HydrophobicContact CB-CD1 3.78Å; A253-I388 HydrophobicContact CB-CD1 3.36Å; A253-I388 HydrophobicContact CB-CG1 4Å
254G87.3Confident93.2Very high4 Ų425.8 Ų25.84%0.04113%0.133CC..Hα-helixtrans-58.8-43.9175.700000112.7S252 A256 I257S252-G254 PolarHBondContact O-N 3.22Å; S252-G254 PolarHBondContact OG-N 3.47Å; G254-A256 PolarHBondContact O-N 2.98Å; G254-I257 PolarHBondContact O-N 3.46Å
255S90.8Very high93.4Very high2 Ų221.5 Ų21.51%0.01411%0.111CC..Hα-helixtrans-73-16.3177.874.60000113.6Q249 I250 K251 S252 A253 A259Q249-S255 WeakPolarHBondContact O-CB 3.44Å; Q249-S255 PolarHBondContact O-OG 2.84Å; I250-S255 VanDerWaalsContact CA-OG 3.3Å; I250-S255 WeakPolarHBondContact CA-OG 3.17Å; K251-S255 PolarHBondContact N-OG 3.01Å; S252-S255 PolarHBondContact N-OG 3.03Å; S252-S255 PolarHBondContact O-N 3.28Å; S252-S255 PolarHBondContact O-OG 3.44Å; S252-S255 PolarHBondContact OG-N 2.88Å; A253-S255 VanDerWaalsContact C-N 3.34Å; A253-S255 PolarHBondContact O-N 2.6Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.36Å; S255-A259 PolarHBondContact O-N 2.82Å
256A93.5Very high93.5Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-69.8-37.1171.100000112.8F17 F29 I250 S252 A253 G254 A259 S260 I325 I342F17-A256 HydrophobicContact CE2-CB 3.97Å; F17-A256 HydrophobicContact CZ-CB 3.87Å; F29-A256 HydrophobicContact CD1-CB 4.44Å; F29-A256 HydrophobicContact CE1-CB 3.91Å; I250-A256 HydrophobicContact CG2-CB 4.02Å; S252-A256 PolarHBondContact O-N 3.31Å; A253-A256 VanDerWaalsContact O-CB 3.28Å; A253-A256 WeakPolarHBondContact O-CB 3.28Å; A253-A256 PolarHBondContact O-N 2.91Å; A253-A256 VanDerWaalsContact O-N 3.08Å; G254-A256 PolarHBondContact O-N 2.98Å; A256-A259 PolarHBondContact O-N 2.84Å; A256-S260 WeakPolarHBondContact O-CB 3.3Å; A256-S260 PolarHBondContact O-N 2.89Å; A256-I325 HydrophobicContact CB-CD1 4.42Å; A256-I342 HydrophobicContact CB-CD1 4.44Å
257I94.5Very high93.7Very high9 Ų918.5 Ų18.55%0.0469%0.091CC..Hα-helixtrans-62.6-46.5174.4-68.2-178.4000110.1A253 G254 S260 R261 E323 I325 I342 I386A253-I257 PolarHBondContact O-N 3.11Å; G254-I257 PolarHBondContact O-N 3.46Å; I257-S260 WeakPolarHBondContact O-CB 3.35Å; I257-S260 PolarHBondContact O-N 3.1Å; I257-R261 PolarHBondContact O-N 2.86Å; I257-E323 HydrophobicContact CG2-CB 4.49Å; I257-E323 WeakPolarHBondContact CG2-O 3.32Å; I257-I325 HydrophobicContact CG1-CD1 4.36Å; I257-I325 HydrophobicContact CG1-CG1 4.4Å; I257-I342 HydrophobicContact CD1-CG1 3.96Å; I257-I342 HydrophobicContact CG1-CD1 4.19Å; I257-I342 HydrophobicContact CG1-CG1 3.9Å; I257-I386 HydrophobicContact CD1-CB 4.17Å; I257-I386 HydrophobicContact CD1-CD1 3.92Å; I257-I386 HydrophobicContact CD1-CG2 3.89Å; I257-I386 HydrophobicContact CG1-CD1 4.47Å
258Y94.6Very high93.7Very high45 Ų4524.4 Ų24.418%0.17611%0.113CC..Hα-helixtrans-64.7-42.5177-178.9-105.6000112.6S260 R261 L262 D361 P362 I371Y258-S260 VanDerWaalsContact C-N 3.27Å; Y258-S260 PolarHBondContact O-N 3.04Å; Y258-R261 WeakPolarHBondContact O-CB 3.3Å; Y258-R261 PolarHBondContact O-N 2.83Å; Y258-R261 VanDerWaalsContact O-N 3.16Å; Y258-L262 HydrophobicContact CD1-CD1 3.81Å; Y258-L262 HydrophobicContact CD1-CG 4.28Å; Y258-L262 HydrophobicContact CE1-CD1 3.45Å; Y258-L262 VanDerWaalsContact CE1-CD1 3.45Å; Y258-L262 HydrophobicContact CE1-CD2 4.38Å; Y258-L262 HydrophobicContact CE1-CG 4.03Å; Y258-L262 WeakPolarHBondContact O-CG 3.42Å; Y258-L262 PolarHBondContact O-N 2.89Å; Y258-D361 WeakPolarHBondContact CD2-OD1 3.28Å; Y258-P362 HydrophobicContact CE1-CG 4.23Å; Y258-P362 VanDerWaalsContact CE2-CD 3.47Å; Y258-P362 HydrophobicContact CE2-CG 4.04Å; Y258-I371 VanDerWaalsContact CB-CD1 3.43Å; Y258-I371 HydrophobicContact CD1-CD1 3.22Å; Y258-I371 HydrophobicContact CD1-CG1 3.91Å; Y258-I371 HydrophobicContact CD2-CD1 4.36Å; Y258-I371 HydrophobicContact CE1-CD1 3.98Å; Y258-I371 HydrophobicContact CE1-CG1 4.18Å; Y258-I371 HydrophobicContact CG-CD1 3.43Å; Y258-I371 VanDerWaalsContact CG-CD1 3.43Å; Y258-I371 HydrophobicContact CG-CG1 4.24Å
259A95.9Very high93.7Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-59.5-40173.100000111.8V31 C118 I250 S255 A256 R261 L262 Y263V31-A259 HydrophobicContact CG1-CB 3.94Å; C118-A259 HydrophobicContact CB-CB 3.9Å; I250-A259 HydrophobicContact CD1-CB 3.71Å; I250-A259 HydrophobicContact CG1-CB 3.64Å; S255-A259 VanDerWaalsContact O-CB 3.3Å; S255-A259 WeakPolarHBondContact O-CB 3.36Å; S255-A259 PolarHBondContact O-N 2.82Å; A256-A259 PolarHBondContact O-N 2.84Å; A259-R261 VanDerWaalsContact C-N 3.34Å; A259-R261 PolarHBondContact O-N 3.16Å; A259-L262 PolarHBondContact O-N 2.8Å; A259-Y263 VanDerWaalsContact O-CD2 3.31Å; A259-Y263 WeakPolarHBondContact O-CD2 3.44Å; A259-Y263 PolarHBondContact O-N 3.28Å
260S97.1Very high93.9Very high2 Ų230.7 Ų30.71%0.01415%0.154CC..Hα-helixtrans-60.8-43.6174.9-167.90000111.1A32 A256 I257 Y258 L262 Y263 L264A32-S260 WeakPolarHBondContact CA-OG 3.42Å; A32-S260 PolarHBondContact N-OG 3.47Å; A256-S260 WeakPolarHBondContact O-CB 3.3Å; A256-S260 PolarHBondContact O-N 2.89Å; I257-S260 WeakPolarHBondContact O-CB 3.35Å; I257-S260 PolarHBondContact O-N 3.1Å; Y258-S260 VanDerWaalsContact C-N 3.27Å; Y258-S260 PolarHBondContact O-N 3.04Å; S260-L262 PolarHBondContact O-N 2.66Å; S260-Y263 PolarHBondContact O-N 3.24Å; S260-L264 VanDerWaalsContact O-CB 3.25Å; S260-L264 WeakPolarHBondContact O-CB 3.3Å; S260-L264 WeakPolarHBondContact O-CG 3.49Å; S260-L264 PolarHBondContact O-N 2.85Å
261R96.6Very high94Very high49 Ų4931.9 Ų31.919%0.18516%0.159CC..Hα-helixtrans-57.2-47.5173174.2-174.6-50.7164.410.5112.1I257 Y258 A259 L264 N265 N306 E323 D361I257-R261 PolarHBondContact O-N 2.86Å; Y258-R261 WeakPolarHBondContact O-CB 3.3Å; Y258-R261 PolarHBondContact O-N 2.83Å; Y258-R261 VanDerWaalsContact O-N 3.16Å; A259-R261 VanDerWaalsContact C-N 3.34Å; A259-R261 PolarHBondContact O-N 3.16Å; R261-L264 PolarHBondContact O-N 3.01Å; R261-N265 WeakPolarHBondContact O-CB 3.17Å; R261-N265 PolarHBondContact O-N 3.46Å; R261-N306 HydrophobicContact CB-CB 4.06Å; R261-N306 HydrophobicContact CG-CB 4.2Å; R261-N306 PolarHBondContact NE-ND2 2.81Å; R261-E323 IonicContact CZ-OE1 3.97Å; R261-E323 IonicContact CZ-OE2 3.23Å; R261-E323 IonicContact NE-OE1 2.76Å; R261-E323 IonicContact NE-OE2 3.06Å; R261-E323 PolarHBondContact NE-OE2 2.9Å; R261-E323 IonicContact NH2-OE1 3.13Å; R261-E323 PolarHBondContact NH2-OE1 2.92Å; R261-E323 IonicContact NH2-OE2 3.34Å; R261-E323 PolarHBondContact NH2-OE2 2.83Å; R261-D361 IonicContact CZ-OD1 3.72Å; R261-D361 IonicContact CZ-OD2 3.4Å; R261-D361 VanDerWaalsContact CZ-OD2 3.31Å; R261-D361 IonicContact NH1-OD1 3.98Å; R261-D361 PolarHBondContact NH1-OD1 2.88Å; R261-D361 IonicContact NH1-OD2 3.2Å; R261-D361 PolarHBondContact NH1-OD2 3.1Å; R261-D361 IonicContact NH2-OD1 3.07Å; R261-D361 PolarHBondContact NH2-OD1 2.65Å; R261-D361 VanDerWaalsContact NH2-OD1 3.13Å; R261-D361 IonicContact NH2-OD2 3.32Å; R261-D361 PolarHBondContact NH2-OD2 3.31Å
262L96.9Very high94.6Very high24 Ų2433.7 Ų33.713%0.12618%0.175CC..Hα-helixtrans-61-47.3-179.2-67.5175.4000111.6F246 Y258 A259 S260 N265 Q266F246-L262 HydrophobicContact CB-CD1 4.3Å; F246-L262 HydrophobicContact CB-CD2 4.06Å; F246-L262 HydrophobicContact CD2-CB 3.87Å; F246-L262 HydrophobicContact CD2-CD1 3.7Å; F246-L262 HydrophobicContact CD2-CD2 4.49Å; F246-L262 HydrophobicContact CD2-CG 4.24Å; F246-L262 HydrophobicContact CE2-CB 3.93Å; F246-L262 HydrophobicContact CE2-CD1 4.38Å; F246-L262 HydrophobicContact CG-CB 4.23Å; F246-L262 HydrophobicContact CG-CD1 4.24Å; F246-L262 HydrophobicContact CG-CD2 4.26Å; F246-L262 HydrophobicContact CG-CG 4.49Å; F246-L262 HydrophobicContact CZ-CB 4.36Å; Y258-L262 HydrophobicContact CD1-CD1 3.81Å; Y258-L262 HydrophobicContact CD1-CG 4.28Å; Y258-L262 HydrophobicContact CE1-CD1 3.45Å; Y258-L262 VanDerWaalsContact CE1-CD1 3.45Å; Y258-L262 HydrophobicContact CE1-CD2 4.38Å; Y258-L262 HydrophobicContact CE1-CG 4.03Å; Y258-L262 WeakPolarHBondContact O-CG 3.42Å; Y258-L262 PolarHBondContact O-N 2.89Å; A259-L262 PolarHBondContact O-N 2.8Å; S260-L262 PolarHBondContact O-N 2.66Å; L262-N265 PolarHBondContact O-N 3.3Å; L262-Q266 PolarHBondContact O-N 2.83Å
263Y98.3Very high95.1Very high4 Ų438.5 Ų38.52%0.01619%0.194CC..Hα-helixtrans-67.7-42.4177.4-76.1-55.5000113.1V31 H39 C118 S119 F121 F246 A259 S260 N265 Q266 Y267V31-Y263 HydrophobicContact CG1-CD2 3.84Å; V31-Y263 HydrophobicContact CG1-CE2 4.38Å; H39-Y263 HydrophobicContact CB-CE1 4.03Å; H39-Y263 HydrophobicContact CB-CE2 4.38Å; H39-Y263 AromaticContact CD2-CE2 3.8Å; H39-Y263 AromaticContact CE1-CD1 3.68Å; H39-Y263 AromaticContact CE1-CD2 3.72Å; H39-Y263 AromaticContact CE1-CG 3.49Å; H39-Y263 VanDerWaalsContact CE1-CG 3.49Å; H39-Y263 AromaticContact CG-CE1 3.79Å; H39-Y263 AromaticContact CG-CE2 3.84Å; H39-Y263 AromaticContact CG-CZ 3.62Å; H39-Y263 AromaticContact ND1-CD1 3.45Å; H39-Y263 WeakPolarHBondContact ND1-CD1 3.48Å; H39-Y263 AromaticContact ND1-CE1 3.51Å; H39-Y263 AromaticContact ND1-CG 3.74Å; H39-Y263 AromaticContact ND1-CZ 3.81Å; H39-Y263 AromaticContact NE2-CD2 3.73Å; H39-Y263 AromaticContact NE2-CE2 3.98Å; H39-Y263 AromaticContact NE2-CG 3.98Å; C118-Y263 WeakPolarHBondContact CA-OH 3.47Å; C118-Y263 HydrophobicContact CB-CE2 4.15Å; C118-Y263 WeakPolarHBondContact SG-CE2 3.33Å; S119-Y263 PolarHBondContact N-OH 3.47Å; S119-Y263 WeakPolarHBondContact O-CE1 3.18Å; S119-Y263 PolarHBondContact O-OH 3.33Å; F121-Y263 WeakPolarHBondContact CE2-OH 3.33Å; F246-Y263 HydrophobicContact CE2-CE1 4.23Å; F246-Y263 HydrophobicContact CZ-CD1 4.02Å; F246-Y263 AromaticContact CZ-CE1 3.96Å; F246-Y263 HydrophobicContact CZ-CE1 3.96Å; A259-Y263 VanDerWaalsContact O-CD2 3.31Å; A259-Y263 WeakPolarHBondContact O-CD2 3.44Å; A259-Y263 PolarHBondContact O-N 3.28Å; S260-Y263 PolarHBondContact O-N 3.24Å; Y263-N265 PolarHBondContact O-N 2.96Å; Y263-Q266 CarbonylContact O-C 3.5Å; Y263-Q266 WeakPolarHBondContact O-CB 3.07Å; Y263-Q266 PolarHBondContact O-N 3.31Å; Y263-Y267 WeakPolarHBondContact O-CD1 3.35Å; Y263-Y267 VanDerWaalsContact O-CG 3.32Å; Y263-Y267 PolarHBondContact O-N 2.96Å
264L98.3Very high95.6Very high0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-59.1-35.2174.2-75172.9000111.8A32 S260 R261 Y267 L275 N288A32-L264 HydrophobicContact CB-CD2 4.03Å; A32-L264 HydrophobicContact CB-CG 3.82Å; S260-L264 VanDerWaalsContact O-CB 3.25Å; S260-L264 WeakPolarHBondContact O-CB 3.3Å; S260-L264 WeakPolarHBondContact O-CG 3.49Å; S260-L264 PolarHBondContact O-N 2.85Å; R261-L264 PolarHBondContact O-N 3.01Å; L264-Y267 HydrophobicContact CD2-CD2 4.33Å; L264-L275 HydrophobicContact CD2-CD2 3.93Å; L264-N288 HydrophobicContact CB-CB 3.84Å; L264-N288 PolarHBondContact O-ND2 2.92Å
265N97.6Very high96.2Very high86 Ų8641.6 Ų41.646%0.4621%0.206SC..Hα-helixtrans-70.3-42.1172.8-172.360.1000112.3R261 L262 Y263 Y267 R268 N288R261-N265 WeakPolarHBondContact O-CB 3.17Å; R261-N265 PolarHBondContact O-N 3.46Å; L262-N265 PolarHBondContact O-N 3.3Å; Y263-N265 PolarHBondContact O-N 2.96Å; N265-Y267 VanDerWaalsContact C-N 3.28Å; N265-Y267 PolarHBondContact O-N 3.35Å; N265-R268 WeakPolarHBondContact O-CB 3.44Å; N265-R268 WeakPolarHBondContact O-CG 3.29Å; N265-R268 PolarHBondContact O-N 2.82Å; N265-N288 WeakPolarHBondContact CA-ND2 3.45Å
266Q96.9Very high96.5Very high41 Ų4142.5 Ų42.519%0.19221%0.214CC..Hα-helixtrans-62.1-35.3176.4-166.5-17813.200112.3F246 L262 Y263 R268 T269 T270F246-Q266 HydrophobicContact CE1-CB 3.99Å; F246-Q266 HydrophobicContact CE1-CG 4.12Å; F246-Q266 HydrophobicContact CZ-CB 4.43Å; F246-Q266 VanDerWaalsContact CZ-OE1 3.24Å; L262-Q266 PolarHBondContact O-N 2.83Å; Y263-Q266 CarbonylContact O-C 3.5Å; Y263-Q266 WeakPolarHBondContact O-CB 3.07Å; Y263-Q266 PolarHBondContact O-N 3.31Å; Q266-R268 PolarHBondContact O-N 2.68Å; Q266-R268 VanDerWaalsContact O-N 3.09Å; Q266-T269 PolarHBondContact O-N 2.93Å; Q266-T269 PolarHBondContact O-OG1 3.23Å; Q266-T270 HydrophobicContact CG-CG2 3.9Å; Q266-T270 PolarHBondContact O-N 3.38Å; Q266-T270 PolarHBondContact O-OG1 2.85Å; Q266-T270 VanDerWaalsContact O-OG1 3.08Å
267Y97.8Very high96.6Very high2 Ų246.3 Ų46.31%0.00824%0.238CC..Hα-helixtrans-58.3-24178.2-72-7.5000113.7A32 V34 H39 Y263 L264 N265 T269 T270 H271 P272 R274 L275A32-Y267 HydrophobicContact CB-CE2 3.94Å; A32-Y267 VanDerWaalsContact O-CE2 3.26Å; A32-Y267 WeakPolarHBondContact O-CE2 3.49Å; A32-Y267 PolarHBondContact O-OH 3.21Å; V34-Y267 WeakPolarHBondContact CG2-OH 3.49Å; H39-Y267 AromaticContact CE1-CZ 3.97Å; H39-Y267 PolarHBondContact CE1-OH 3.48Å; Y263-Y267 WeakPolarHBondContact O-CD1 3.35Å; Y263-Y267 VanDerWaalsContact O-CG 3.32Å; Y263-Y267 PolarHBondContact O-N 2.96Å; L264-Y267 HydrophobicContact CD2-CD2 4.33Å; N265-Y267 VanDerWaalsContact C-N 3.28Å; N265-Y267 PolarHBondContact O-N 3.35Å; Y267-T269 PolarHBondContact O-N 3.35Å; Y267-T269 VanDerWaalsContact O-N 3.12Å; Y267-T270 PolarHBondContact O-N 3.41Å; Y267-H271 HydrophobicContact CD1-CB 3.99Å; Y267-H271 AromaticContact CD1-ND1 3.87Å; Y267-H271 AromaticContact CE1-ND1 3.93Å; Y267-H271 HydrophobicContact CG-CB 4.22Å; Y267-H271 CarbonylContact O-C 3.6Å; Y267-H271 PolarHBondContact O-N 2.86Å; Y267-P272 VanDerWaalsContact O-CA 3.31Å; Y267-P272 WeakPolarHBondContact O-CA 3.38Å; Y267-R274 HydrophobicContact CD2-CB 3.88Å; Y267-R274 HydrophobicContact CE2-CB 4.06Å; Y267-R274 PolarHBondContact OH-NH1 2.88Å; Y267-L275 HydrophobicContact CD2-CD2 4.19Å
268R96.3Very high96.6Very high134 Ų13451 Ų5151%0.50626%0.263SS..Hα-helixtrans-54.5-33.5173.4-69.2-177.4170.6173.11.9113.1N265 Q266 L275 N288N265-R268 WeakPolarHBondContact O-CB 3.44Å; N265-R268 WeakPolarHBondContact O-CG 3.29Å; N265-R268 PolarHBondContact O-N 2.82Å; Q266-R268 PolarHBondContact O-N 2.68Å; Q266-R268 VanDerWaalsContact O-N 3.09Å; R268-L275 HydrophobicContact CG-CD1 3.84Å; R268-N288 VanDerWaalsContact NE-CG 3.35Å; R268-N288 PolarHBondContact NE-ND2 2.84Å; R268-N288 PolarHBondContact NE-OD1 2.8Å; R268-N288 PolarHBondContact NH2-ND2 2.83Å; R268-N288 PolarHBondContact NH2-OD1 3.38Å
269T94.9Very high96.5Very high120 Ų12055.8 Ų55.874%0.73629%0.285SS*.Hα-helixtrans-105.2-32.8-17858.70000112.3Q266 Y267Q266-T269 PolarHBondContact O-N 2.93Å; Q266-T269 PolarHBondContact O-OG1 3.23Å; Y267-T269 PolarHBondContact O-N 3.35Å; Y267-T269 VanDerWaalsContact O-N 3.12Å
270T94.5Very high96.4Very high47 Ų4765.7 Ų65.729%0.28833%0.331SS..Hα-helixtrans-97.7-34-172.858.80000114.7Q266 Y267Q266-T270 HydrophobicContact CG-CG2 3.9Å; Q266-T270 PolarHBondContact O-N 3.38Å; Q266-T270 PolarHBondContact O-OG1 2.85Å; Q266-T270 VanDerWaalsContact O-OG1 3.08Å; Y267-T270 PolarHBondContact O-N 3.41Å
271H95.9Very high96.2Very high27 Ų2768.7 Ų68.713%0.12536%0.363CS..  trans-148.558.5-173.7-61.3109000111E42 Y267 E273 R274E42-H271 IonicContact OE2-CE1 3.61Å; E42-H271 PolarHBondContact OE2-CE1 2.89Å; E42-H271 IonicContact OE2-NE2 2.66Å; Y267-H271 HydrophobicContact CD1-CB 3.99Å; Y267-H271 AromaticContact CD1-ND1 3.87Å; Y267-H271 AromaticContact CE1-ND1 3.93Å; Y267-H271 HydrophobicContact CG-CB 4.22Å; Y267-H271 CarbonylContact O-C 3.6Å; Y267-H271 PolarHBondContact O-N 2.86Å; H271-E273 WeakPolarHBondContact CA-OE1 3.42Å; H271-E273 VanDerWaalsContact CA-OE2 3.23Å; H271-E273 WeakPolarHBondContact CA-OE2 3.25Å; H271-E273 VanDerWaalsContact CB-OE1 3.29Å; H271-E273 WeakPolarHBondContact CB-OE1 3.38Å; H271-E273 IonicContact CD2-OE1 3.37Å; H271-E273 PolarHBondContact CD2-OE1 2.87Å; H271-E273 IonicContact CG-OE1 2.8Å; H271-E273 PolarHBondContact O-N 2.95Å; H271-E273 VanDerWaalsContact O-N 3.11Å; H271-R274 HydrophobicContact CB-CB 4.37Å; H271-R274 HydrophobicContact CB-CG 3.93Å; H271-R274 WeakPolarHBondContact O-CB 3.36Å; H271-R274 PolarHBondContact O-N 2.99Å
272P97Very high96.1Very high77 Ų7767.7 Ų67.750%0.537%0.368SS..G310 helixtrans-60-25.3-175.124.5-34.5000112.3Y267 R274 L275Y267-P272 VanDerWaalsContact O-CA 3.31Å; Y267-P272 WeakPolarHBondContact O-CA 3.38Å; P272-R274 PolarHBondContact O-N 2.96Å; P272-L275 PolarHBondContact O-N 3.41Å; P272-L275 VanDerWaalsContact O-N 3.15Å
273E96.6Very high96.1Very high134 Ų13467.6 Ų67.663%0.62637%0.368SS*.G310 helixtrans-64.2-2117575.1-68.416200114.2H271 L275H271-E273 WeakPolarHBondContact CA-OE1 3.42Å; H271-E273 VanDerWaalsContact CA-OE2 3.23Å; H271-E273 WeakPolarHBondContact CA-OE2 3.25Å; H271-E273 VanDerWaalsContact CB-OE1 3.29Å; H271-E273 WeakPolarHBondContact CB-OE1 3.38Å; H271-E273 IonicContact CD2-OE1 3.37Å; H271-E273 PolarHBondContact CD2-OE1 2.87Å; H271-E273 IonicContact CG-OE1 2.8Å; H271-E273 PolarHBondContact O-N 2.95Å; H271-E273 VanDerWaalsContact O-N 3.11Å; E273-L275 VanDerWaalsContact C-N 3.33Å
274R97.1Very high96.1Very high41 Ų4173.7 Ų73.716%0.15540%0.395CS..G310 helixtrans-78.6-18.2175-67.2-178.4-177.1175.30.3112.8E42 Y267 H271 P272 Y290E42-R274 IonicContact OE1-CZ 3.13Å; E42-R274 VanDerWaalsContact OE1-CZ 3.32Å; E42-R274 IonicContact OE1-NH1 3.31Å; E42-R274 PolarHBondContact OE1-NH1 3.18Å; E42-R274 VanDerWaalsContact OE1-NH1 3.07Å; E42-R274 IonicContact OE1-NH2 3.75Å; E42-R274 PolarHBondContact OE1-NH2 3.18Å; E42-R274 IonicContact OE2-CZ 3.53Å; E42-R274 IonicContact OE2-NH1 2.88Å; E42-R274 PolarHBondContact OE2-NH1 3Å; E42-R274 IonicContact OE2-NH2 3.01Å; Y267-R274 HydrophobicContact CD2-CB 3.88Å; Y267-R274 HydrophobicContact CE2-CB 4.06Å; Y267-R274 PolarHBondContact OH-NH1 2.88Å; H271-R274 HydrophobicContact CB-CB 4.37Å; H271-R274 HydrophobicContact CB-CG 3.93Å; H271-R274 WeakPolarHBondContact O-CB 3.36Å; H271-R274 PolarHBondContact O-N 2.99Å; P272-R274 PolarHBondContact O-N 2.96Å; R274-Y290 HydrophobicContact CB-CD2 4.2Å; R274-Y290 HydrophobicContact CB-CE2 4.46Å; R274-Y290 VanDerWaalsContact O-CD2 3.24Å; R274-Y290 WeakPolarHBondContact O-CD2 3.39Å
275L98.1Very high96.1Very high30 Ų3074.1 Ų74.116%0.15740%0.397CS..BIsolated β-bridgetrans-87132.8-178.2-62.2179.6000110.4L264 Y267 R268 P272 E273 P277 N288 V289L264-L275 HydrophobicContact CD2-CD2 3.93Å; Y267-L275 HydrophobicContact CD2-CD2 4.19Å; R268-L275 HydrophobicContact CG-CD1 3.84Å; P272-L275 PolarHBondContact O-N 3.41Å; P272-L275 VanDerWaalsContact O-N 3.15Å; E273-L275 VanDerWaalsContact C-N 3.33Å; L275-P277 WeakPolarHBondContact O-CD 3.37Å; L275-N288 HydrophobicContact CD2-CB 4.12Å; L275-V289 WeakPolarHBondContact CA-O 3.47Å
276A97.4Very high96.1Very high21 Ų2172.8 Ų72.817%0.17439%0.392CS..PPolyproline II helixtrans-67.9122.417700000110.4I285 V289 I291A276-I285 HydrophobicContact CB-CD1 4.42Å; A276-I285 HydrophobicContact CB-CG1 4.33Å; A276-V289 PolarHBondContact N-O 3.18Å; A276-I291 HydrophobicContact CB-CB 4.18Å; A276-I291 HydrophobicContact CB-CD1 3.54Å; A276-I291 HydrophobicContact CB-CG1 3.73Å
277P95.6Very high96.1Very high80 Ų8073 Ų7352%0.51941%0.405SS..PPolyproline II helixtrans-79.9157.7172.834-35000110.6L275 K279L275-P277 WeakPolarHBondContact O-CD 3.37Å; P277-K279 HydrophobicContact CG-CD 4.45Å; P277-K279 HydrophobicContact CG-CG 4.14Å; P277-K279 PolarHBondContact O-N 2.96Å
278N94.4Very high96.1Very high106 Ų10673.3 Ų73.357%0.56741%0.407SS*.PPolyproline II helixtrans-70.3127.9163.8-80.4-72.9000109.1I285N278-I285 PolarHBondContact ND2-O 3.16Å; N278-I285 PolarHBondContact OD1-N 3.47Å; N278-I285 PolarHBondContact OD1-O 3.21Å
279K94.2Very high96.2Very high147 Ų14767 Ų6764%0.63938%0.384SS*.  trans-126.2146.3177.4-60.7-175.9-174.9179.80109.6P277 G281 G282P277-K279 HydrophobicContact CG-CD 4.45Å; P277-K279 HydrophobicContact CG-CG 4.14Å; P277-K279 PolarHBondContact O-N 2.96Å; K279-G281 PolarHBondContact O-N 2.85Å; K279-G282 PolarHBondContact O-N 3.38Å
280E92.9Very high96.4Very high207 Ų20762.6 Ų62.697%0.96735%0.354SS*.THydrogen-bonded Turntrans-60.8134.9172.3-170.7175.2-175.500110G282E280-G282 PolarHBondContact O-N 3Å
281G92Very high96.6Very high66 Ų6662.3 Ų62.368%0.6835%0.35SS*.THydrogen-bonded Turntrans69.35.5-174.300000115K279 P299K279-G281 PolarHBondContact O-N 2.85Å; G281-P299 VanDerWaalsContact O-CB 3.3Å; G281-P299 WeakPolarHBondContact O-CB 3.32Å; G281-P299 VanDerWaalsContact O-CG 3.26Å; G281-P299 WeakPolarHBondContact O-CG 3.25Å
282G94.9Very high96.7Very high27 Ų2763.1 Ų63.128%0.27835%0.353SS..SBendtrans-100.7172.6172.200000112.9K279 E280K279-G282 PolarHBondContact O-N 3.38Å; E280-G282 PolarHBondContact O-N 3Å
283P97.6Very high96.7Very high22 Ų2265.1 Ų65.114%0.14337%0.367CS..PPolyproline II helixtrans-61.7153.9175.629.4-37.3000111.4I285 I297 P299 A301P283-I285 HydrophobicContact CB-CD1 4.49Å; P283-I285 HydrophobicContact CG-CD1 4.1Å; P283-I285 PolarHBondContact O-N 2.84Å; P283-I297 HydrophobicContact CB-CG2 3.77Å; P283-I297 HydrophobicContact CG-CB 4.39Å; P283-I297 HydrophobicContact CG-CG2 3.74Å; P283-P299 WeakPolarHBondContact CA-O 3.32Å; P283-A301 HydrophobicContact CB-CB 4.25Å; P283-A301 WeakPolarHBondContact CB-O 3.16Å
284K98.3Very high96.8Very high132 Ų13262.6 Ų62.657%0.57436%0.36SS*.EExtended strand (participates in β ladder)trans-75117.2173.7-178.4176.6179.8175.30110.1A301 V302 L303K284-A301 PolarHBondContact N-O 2.93Å; K284-V302 HydrophobicContact CB-CG1 4.35Å; K284-V302 HydrophobicContact CB-CG2 4.23Å; K284-V302 HydrophobicContact CD-CG1 4.33Å; K284-V302 HydrophobicContact CG-CG1 4.37Å; K284-V302 WeakPolarHBondContact O-CA 3.25Å; K284-L303 PolarHBondContact O-N 3.02Å
285I98.3Very high96.8Very high10 Ų1061.6 Ų61.65%0.05136%0.361CS..EExtended strand (participates in β ladder)trans-98.7124.4176.5-52.3-54.6000110A276 N278 P283 V289 I291 L303A276-I285 HydrophobicContact CB-CD1 4.42Å; A276-I285 HydrophobicContact CB-CG1 4.33Å; N278-I285 PolarHBondContact ND2-O 3.16Å; N278-I285 PolarHBondContact OD1-N 3.47Å; N278-I285 PolarHBondContact OD1-O 3.21Å; P283-I285 HydrophobicContact CB-CD1 4.49Å; P283-I285 HydrophobicContact CG-CD1 4.1Å; P283-I285 PolarHBondContact O-N 2.84Å; I285-V289 HydrophobicContact CG2-CB 3.8Å; I285-V289 HydrophobicContact CG2-CG2 3.7Å; I285-I291 HydrophobicContact CD1-CD1 3.79Å; I285-L303 HydrophobicContact CD1-CB 4.01Å; I285-L303 HydrophobicContact CD1-CD1 4.15Å; I285-L303 HydrophobicContact CD1-CG 4.42Å
286T97.6Very high96.8Very high57 Ų5765.2 Ų65.235%0.3538%0.381SS..  trans-114.5122.1176.3-56.30000109.5L303 G304 P305T286-L303 PolarHBondContact N-O 3.31Å; T286-G304 CarbonylContact O-C 3.6Å; T286-G304 WeakPolarHBondContact O-CA 2.94Å; T286-P305 WeakPolarHBondContact O-CA 3.38Å
287G96.9Very high96.9Very high45 Ų4565.4 Ų65.446%0.46438%0.378SS..SBendtrans69.1-142-179.600000112.9
288N97.9Very high97Very high10 Ų1064 Ų645%0.05337%0.367CS..  trans-96.7120.9-177.5-56.6-31.8000110.4L264 N265 R268 L275 N306 V307L264-N288 HydrophobicContact CB-CB 3.84Å; L264-N288 PolarHBondContact O-ND2 2.92Å; N265-N288 WeakPolarHBondContact CA-ND2 3.45Å; R268-N288 VanDerWaalsContact NE-CG 3.35Å; R268-N288 PolarHBondContact NE-ND2 2.84Å; R268-N288 PolarHBondContact NE-OD1 2.8Å; R268-N288 PolarHBondContact NH2-ND2 2.83Å; R268-N288 PolarHBondContact NH2-OD1 3.38Å; L275-N288 HydrophobicContact CD2-CB 4.12Å; N288-N306 VanDerWaalsContact O-CA 3.32Å; N288-N306 WeakPolarHBondContact O-CA 3.42Å; N288-N306 PolarHBondContact O-N 3.45Å; N288-V307 PolarHBondContact O-N 3.42Å
289V98.6Very high97.2Very high1 Ų162.3 Ų62.31%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-134.8131.9177.6-178.60000108.7L275 A276 I285 I291 L303 V307L275-V289 WeakPolarHBondContact CA-O 3.47Å; A276-V289 PolarHBondContact N-O 3.18Å; I285-V289 HydrophobicContact CG2-CB 3.8Å; I285-V289 HydrophobicContact CG2-CG2 3.7Å; V289-I291 HydrophobicContact CG1-CD1 4.25Å; V289-I291 HydrophobicContact CG1-CG1 3.82Å; V289-L303 HydrophobicContact CG1-CB 4.16Å; V289-L303 HydrophobicContact CG2-CB 4.33Å; V289-V307 CarbonylContact C-O 3.53Å; V289-V307 VanDerWaalsContact CA-O 3.25Å; V289-V307 WeakPolarHBondContact CA-O 3.43Å; V289-V307 HydrophobicContact CG1-CB 4.09Å; V289-V307 HydrophobicContact CG1-CG1 4.26Å; V289-V307 HydrophobicContact CG2-CB 4.24Å
290Y98.7Very high97.4Very high28 Ų2859.3 Ų59.311%0.1136%0.355CS..EExtended strand (participates in β ladder)trans-96.8131.5166.6172.7-89.6000109.1G33 R274 H292 V307 I309G33-Y290 PolarHBondContact O-OH 3.49Å; R274-Y290 HydrophobicContact CB-CD2 4.2Å; R274-Y290 HydrophobicContact CB-CE2 4.46Å; R274-Y290 VanDerWaalsContact O-CD2 3.24Å; R274-Y290 WeakPolarHBondContact O-CD2 3.39Å; Y290-H292 HydrophobicContact CE1-CB 4.13Å; Y290-V307 PolarHBondContact N-O 3.49Å; Y290-I309 PolarHBondContact O-N 2.89Å
291I98.5Very high97.7Very high40 Ų4049.5 Ų49.521%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-127.7117.7174.4-59176.3000108.5A276 I285 V289 A295 I297 L303 I309A276-I291 HydrophobicContact CB-CB 4.18Å; A276-I291 HydrophobicContact CB-CD1 3.54Å; A276-I291 HydrophobicContact CB-CG1 3.73Å; I285-I291 HydrophobicContact CD1-CD1 3.79Å; V289-I291 HydrophobicContact CG1-CD1 4.25Å; V289-I291 HydrophobicContact CG1-CG1 3.82Å; I291-A295 HydrophobicContact CG2-CB 4.01Å; I291-I297 HydrophobicContact CB-CD1 4.48Å; I291-I297 HydrophobicContact CD1-CD1 3.76Å; I291-I297 HydrophobicContact CG1-CD1 4.17Å; I291-I297 HydrophobicContact CG2-CD1 3.49Å; I291-I297 VanDerWaalsContact CG2-CD1 3.49Å; I291-L303 HydrophobicContact CD1-CD1 3.86Å; I291-L303 HydrophobicContact CG1-CD1 4.46Å; I291-I309 HydrophobicContact CG1-CB 4.48Å; I291-I309 HydrophobicContact CG1-CG1 4.32Å
292H98.4Very high98Very high44 Ų4448.4 Ų48.420%0.20429%0.289CS..  trans-61.9138.9173.8-169.4-88.9000110.6Y290 T294 A295 I309 T311Y290-H292 HydrophobicContact CE1-CB 4.13Å; H292-T294 PolarHBondContact CE1-OG1 3.27Å; H292-T294 PolarHBondContact ND1-N 3.24Å; H292-T294 PolarHBondContact ND1-OG1 3.42Å; H292-T294 PolarHBondContact O-N 3.08Å; H292-A295 WeakPolarHBondContact O-CB 3.35Å; H292-A295 PolarHBondContact O-N 3.4Å; H292-I309 WeakPolarHBondContact CB-O 3.47Å; H292-I309 PolarHBondContact N-O 3.09Å; H292-T311 PolarHBondContact CD2-OG1 3.04Å; H292-T311 VanDerWaalsContact CD2-OG1 3.31Å; H292-T311 PolarHBondContact CE1-OG1 2.9Å; H292-T311 PolarHBondContact NE2-OG1 3.34Å
293P97.1Very high98.2Very high120 Ų12047.1 Ų47.178%0.77928%0.276SS*.THydrogen-bonded Turntrans-58.6-22.5-175.2-28.535.7000116.1
294T98Very high98.2Very high80 Ų8046.5 Ų46.549%0.49127%0.274SS..THydrogen-bonded Turntrans-90.2-1.817965.90000114.1H292 T311 G312H292-T294 PolarHBondContact CE1-OG1 3.27Å; H292-T294 PolarHBondContact ND1-N 3.24Å; H292-T294 PolarHBondContact ND1-OG1 3.42Å; H292-T294 PolarHBondContact O-N 3.08Å; T294-T311 VanDerWaalsContact OG1-CG2 3.25Å; T294-T311 WeakPolarHBondContact OG1-CG2 3.33Å; T294-G312 PolarHBondContact OG1-N 3.29Å
295A98.3Very high98.1Very high20 Ų2042.1 Ų42.117%0.16526%0.259CS..  trans-72.5140.1177.200000110.6I291 H292 I297 I309 V313I291-A295 HydrophobicContact CG2-CB 4.01Å; H292-A295 WeakPolarHBondContact O-CB 3.35Å; H292-A295 PolarHBondContact O-N 3.4Å; A295-I297 HydrophobicContact CB-CD1 4.31Å; A295-I297 HydrophobicContact CB-CG1 4.4Å; A295-I309 HydrophobicContact CB-CG2 3.82Å; A295-V313 CarbonylContact C-O 3.52Å; A295-V313 VanDerWaalsContact CA-O 3.32Å; A295-V313 WeakPolarHBondContact CA-O 3.35Å; A295-V313 HydrophobicContact CB-CB 4.43Å
296N98.3Very high98.1Very high107 Ų10742.7 Ų42.757%0.57226%0.262SS*.EExtended strand (participates in β ladder)trans-107118175.6-178.638.8000109.4V313 T314 I315N296-V313 PolarHBondContact N-O 3.48Å; N296-T314 CarbonylContact O-C 3.56Å; N296-T314 WeakPolarHBondContact O-CA 3.34Å; N296-I315 PolarHBondContact O-N 3.18Å
297I98.5Very high98.1Very high25 Ų2540 Ų4013%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-132126-170.7-57.2168.4000109P283 I291 A295 A301 L303 I315P283-I297 HydrophobicContact CB-CG2 3.77Å; P283-I297 HydrophobicContact CG-CB 4.39Å; P283-I297 HydrophobicContact CG-CG2 3.74Å; I291-I297 HydrophobicContact CB-CD1 4.48Å; I291-I297 HydrophobicContact CD1-CD1 3.76Å; I291-I297 HydrophobicContact CG1-CD1 4.17Å; I291-I297 HydrophobicContact CG2-CD1 3.49Å; I291-I297 VanDerWaalsContact CG2-CD1 3.49Å; A295-I297 HydrophobicContact CB-CD1 4.31Å; A295-I297 HydrophobicContact CB-CG1 4.4Å; I297-A301 HydrophobicContact CG2-CB 3.97Å; I297-L303 HydrophobicContact CD1-CD1 3.9Å; I297-L303 HydrophobicContact CG2-CD1 4.18Å; I297-I315 HydrophobicContact CB-CB 4.33Å; I297-I315 HydrophobicContact CD1-CD1 4.35Å; I297-I315 HydrophobicContact CG1-CB 4.15Å; I297-I315 HydrophobicContact CG1-CD1 4.09Å; I297-I315 HydrophobicContact CG1-CG1 4.23Å; I297-I315 HydrophobicContact CG2-CB 4.02Å; I297-I315 HydrophobicContact CG2-CD1 4.47Å; I297-I315 HydrophobicContact CG2-CG2 4.14Å
298D98.6Very high98.2Very high51 Ų5138 Ų3827%0.27322%0.224SC..  trans-62.9137175.8-170.8-86.3000111.7T300 A301 I315 A317D298-T300 PolarHBondContact O-N 3.31Å; D298-T300 VanDerWaalsContact O-N 3.07Å; D298-T300 WeakPolarHBondContact OD1-CB 3.25Å; D298-T300 PolarHBondContact OD1-N 2.85Å; D298-T300 PolarHBondContact OD1-OG1 3.44Å; D298-A301 VanDerWaalsContact O-CB 3.32Å; D298-A301 WeakPolarHBondContact O-CB 3.46Å; D298-A301 PolarHBondContact O-N 3.43Å; D298-I315 PolarHBondContact N-O 3.5Å; D298-A317 HydrophobicContact CB-CB 4.49Å
299P98.3Very high98.3Very high70 Ų7037.5 Ų37.546%0.45522%0.222SC..THydrogen-bonded Turntrans-57.1-23179.5-28.937.4000115.2G281 P283 A301G281-P299 VanDerWaalsContact O-CB 3.3Å; G281-P299 WeakPolarHBondContact O-CB 3.32Å; G281-P299 VanDerWaalsContact O-CG 3.26Å; G281-P299 WeakPolarHBondContact O-CG 3.25Å; P283-P299 WeakPolarHBondContact CA-O 3.32Å; P299-A301 VanDerWaalsContact C-N 3.34Å
300T98.4Very high98.2Very high84 Ų8438.3 Ų38.352%0.51523%0.23SC..THydrogen-bonded Turntrans-86-6.2-179.266.10000113.5D298 A317 G318D298-T300 PolarHBondContact O-N 3.31Å; D298-T300 VanDerWaalsContact O-N 3.07Å; D298-T300 WeakPolarHBondContact OD1-CB 3.25Å; D298-T300 PolarHBondContact OD1-N 2.85Å; D298-T300 PolarHBondContact OD1-OG1 3.44Å; T300-A317 WeakPolarHBondContact OG1-CA 3.16Å; T300-G318 PolarHBondContact OG1-N 2.67Å
301A98.6Very high98.2Very high0 Ų039.5 Ų39.50%024%0.24CC..  trans-69.1152.6178.300000112.1P283 K284 I297 D298 P299 I315 V319P283-A301 HydrophobicContact CB-CB 4.25Å; P283-A301 WeakPolarHBondContact CB-O 3.16Å; K284-A301 PolarHBondContact N-O 2.93Å; I297-A301 HydrophobicContact CG2-CB 3.97Å; D298-A301 VanDerWaalsContact O-CB 3.32Å; D298-A301 WeakPolarHBondContact O-CB 3.46Å; D298-A301 PolarHBondContact O-N 3.43Å; P299-A301 VanDerWaalsContact C-N 3.34Å; A301-I315 HydrophobicContact CB-CG2 3.85Å; A301-V319 WeakPolarHBondContact CA-O 3.29Å
302V98.6Very high98.2Very high43 Ų4339.2 Ų39.226%0.26125%0.247SC..EExtended strand (participates in β ladder)trans-122.2117.9175-173.10000109.3K284 V319 R320 V321K284-V302 HydrophobicContact CB-CG1 4.35Å; K284-V302 HydrophobicContact CB-CG2 4.23Å; K284-V302 HydrophobicContact CD-CG1 4.33Å; K284-V302 HydrophobicContact CG-CG1 4.37Å; K284-V302 WeakPolarHBondContact O-CA 3.25Å; V302-V319 PolarHBondContact N-O 3.2Å; V302-R320 HydrophobicContact CB-CG 4.39Å; V302-R320 WeakPolarHBondContact O-CA 3.37Å; V302-V321 PolarHBondContact O-N 2.9Å
303L98.7Very high98.2Very high0 Ų037.1 Ų37.10%024%0.238CC..EExtended strand (participates in β ladder)trans-117.3131.7-176.4-52.8-179.9000110.5K284 I285 T286 V289 I291 I297 I309 I315 V321K284-L303 PolarHBondContact O-N 3.02Å; I285-L303 HydrophobicContact CD1-CB 4.01Å; I285-L303 HydrophobicContact CD1-CD1 4.15Å; I285-L303 HydrophobicContact CD1-CG 4.42Å; T286-L303 PolarHBondContact N-O 3.31Å; V289-L303 HydrophobicContact CG1-CB 4.16Å; V289-L303 HydrophobicContact CG2-CB 4.33Å; I291-L303 HydrophobicContact CD1-CD1 3.86Å; I291-L303 HydrophobicContact CG1-CD1 4.46Å; I297-L303 HydrophobicContact CD1-CD1 3.9Å; I297-L303 HydrophobicContact CG2-CD1 4.18Å; L303-I309 HydrophobicContact CD1-CG1 4.38Å; L303-I315 HydrophobicContact CD1-CD1 4.3Å; L303-I315 HydrophobicContact CD2-CD1 3.88Å; L303-V321 HydrophobicContact CD2-CB 3.85Å; L303-V321 HydrophobicContact CD2-CG2 3.77Å
304G97.5Very high98.3Very high9 Ų934.2 Ų34.29%0.09322%0.218CC..  trans104.7177.3171.600000115.4T286 V321T286-G304 CarbonylContact O-C 3.6Å; T286-G304 WeakPolarHBondContact O-CA 2.94Å; G304-V321 PolarHBondContact N-O 2.72Å
305P97.3Very high98.3Very high40 Ų4030.5 Ų30.526%0.2620%0.195SC..SBendcis-70.1163.2-1.931.5-39000114.2T286 R322 E323T286-P305 WeakPolarHBondContact O-CA 3.38Å; P305-R322 HydrophobicContact CG-CG 4.34Å; P305-E323 PolarHBondContact O-N 3.07Å
306N97.4Very high98.3Very high22 Ų2230.1 Ų30.112%0.11819%0.193CC..SBendtrans61.755.9167.9-51.9-43.7000113.2R261 N288 E323 S324R261-N306 HydrophobicContact CB-CB 4.06Å; R261-N306 HydrophobicContact CG-CB 4.2Å; R261-N306 PolarHBondContact NE-ND2 2.81Å; N288-N306 VanDerWaalsContact O-CA 3.32Å; N288-N306 WeakPolarHBondContact O-CA 3.42Å; N288-N306 PolarHBondContact O-N 3.45Å; N306-E323 WeakPolarHBondContact CB-OE2 3.34Å; N306-E323 PolarHBondContact ND2-OE1 3.32Å; N306-E323 WeakPolarHBondContact O-CA 3.41Å; N306-S324 PolarHBondContact O-N 2.92Å
307V98.6Very high98.4Very high0 Ų026.4 Ų26.40%018%0.177CC..EExtended strand (participates in β ladder)trans-119.1137-179.4171.90000110.2N288 V289 Y290 I309 V321 S324N288-V307 PolarHBondContact O-N 3.42Å; V289-V307 CarbonylContact C-O 3.53Å; V289-V307 VanDerWaalsContact CA-O 3.25Å; V289-V307 WeakPolarHBondContact CA-O 3.43Å; V289-V307 HydrophobicContact CG1-CB 4.09Å; V289-V307 HydrophobicContact CG1-CG1 4.26Å; V289-V307 HydrophobicContact CG2-CB 4.24Å; Y290-V307 PolarHBondContact N-O 3.49Å; V307-I309 HydrophobicContact CG1-CD1 3.45Å; V307-I309 VanDerWaalsContact CG1-CD1 3.45Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å; V307-V321 HydrophobicContact CB-CG1 4.48Å; V307-V321 HydrophobicContact CG1-CB 4.35Å; V307-V321 HydrophobicContact CG1-CG1 3.77Å; V307-V321 HydrophobicContact CG2-CB 4.3Å; V307-V321 HydrophobicContact CG2-CG1 3.79Å; V307-S324 WeakPolarHBondContact CA-O 2.98Å
308S98.5Very high98.3Very high3 Ų325.5 Ų25.52%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-119.1126.3167.452.30000110S324 I326S308-S324 PolarHBondContact N-O 2.8Å; S308-I326 PolarHBondContact O-N 3.47Å
309I98.7Very high98.4Very high0 Ų023 Ų230%016%0.161CC..EExtended strand (participates in β ladder)trans-109.2119.3178.1-54.4-55.4000109.1Y290 I291 H292 A295 L303 V307 V313 I315 I326Y290-I309 PolarHBondContact O-N 2.89Å; I291-I309 HydrophobicContact CG1-CB 4.48Å; I291-I309 HydrophobicContact CG1-CG1 4.32Å; H292-I309 WeakPolarHBondContact CB-O 3.47Å; H292-I309 PolarHBondContact N-O 3.09Å; A295-I309 HydrophobicContact CB-CG2 3.82Å; L303-I309 HydrophobicContact CD1-CG1 4.38Å; V307-I309 HydrophobicContact CG1-CD1 3.45Å; V307-I309 VanDerWaalsContact CG1-CD1 3.45Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å; I309-V313 HydrophobicContact CG2-CB 3.62Å; I309-V313 HydrophobicContact CG2-CG1 3.63Å; I309-V313 HydrophobicContact CG2-CG2 4.09Å; I309-I315 HydrophobicContact CD1-CD1 3.87Å; I309-I315 HydrophobicContact CG1-CD1 4.3Å; I309-I315 HydrophobicContact CG2-CD1 4.48Å; I309-I326 HydrophobicContact CD1-CB 3.75Å; I309-I326 HydrophobicContact CD1-CG1 3.46Å; I309-I326 VanDerWaalsContact CD1-CG1 3.46Å
310G98.3Very high98.4Very high18 Ų1826 Ų2619%0.18616%0.163CC..  trans-77.1178.2-178.300000114.8V313 I326G310-V313 WeakPolarHBondContact O-CG2 3.28Å; G310-I326 PolarHBondContact N-O 2.82Å
311T97.8Very high98.4Very high53 Ų5322.1 Ų22.133%0.32514%0.139SC..THydrogen-bonded Turntrans-60.2135.9178.7-50.20000111.9H292 T294 V313 H328 G329H292-T311 PolarHBondContact CD2-OG1 3.04Å; H292-T311 VanDerWaalsContact CD2-OG1 3.31Å; H292-T311 PolarHBondContact CE1-OG1 2.9Å; H292-T311 PolarHBondContact NE2-OG1 3.34Å; T294-T311 VanDerWaalsContact OG1-CG2 3.25Å; T294-T311 WeakPolarHBondContact OG1-CG2 3.33Å; T311-V313 PolarHBondContact O-N 3.19Å; T311-V313 VanDerWaalsContact O-N 3.13Å; T311-H328 VanDerWaalsContact O-CA 3.27Å; T311-H328 WeakPolarHBondContact O-CA 3.38Å; T311-H328 PolarHBondContact O-ND1 3.46Å; T311-G329 PolarHBondContact O-N 2.94Å
312G98.1Very high98.4Very high34 Ų3427.4 Ų27.435%0.35116%0.159SC..THydrogen-bonded Turntrans68.58.2173.100000115.1T294T294-G312 PolarHBondContact OG1-N 3.29Å
313V98.8Very high98.3Very high0 Ų026.2 Ų26.20%015%0.151CC..  trans-65.8138.3176.4170.20000110.2A295 N296 I309 G310 T311 I315 I326 L327 A330A295-V313 CarbonylContact C-O 3.52Å; A295-V313 VanDerWaalsContact CA-O 3.32Å; A295-V313 WeakPolarHBondContact CA-O 3.35Å; A295-V313 HydrophobicContact CB-CB 4.43Å; N296-V313 PolarHBondContact N-O 3.48Å; I309-V313 HydrophobicContact CG2-CB 3.62Å; I309-V313 HydrophobicContact CG2-CG1 3.63Å; I309-V313 HydrophobicContact CG2-CG2 4.09Å; G310-V313 WeakPolarHBondContact O-CG2 3.28Å; T311-V313 PolarHBondContact O-N 3.19Å; T311-V313 VanDerWaalsContact O-N 3.13Å; V313-I315 HydrophobicContact CG1-CD1 4.37Å; V313-I315 HydrophobicContact CG1-CG1 3.91Å; V313-I326 HydrophobicContact CG1-CG2 3.73Å; V313-I326 HydrophobicContact CG2-CG2 3.95Å; V313-L327 WeakPolarHBondContact CG2-O 3.09Å; V313-A330 VanDerWaalsContact CA-O 3.32Å; V313-A330 WeakPolarHBondContact CA-O 3.19Å; V313-A330 WeakPolarHBondContact CG1-O 3.26Å; V313-A330 HydrophobicContact CG2-CB 4.44Å
314T98.8Very high98.3Very high59 Ų5926.2 Ų26.236%0.36215%0.151SC..EExtended strand (participates in β ladder)trans-113.3129.6172.9-58.90000110.4N296 A330 S331 L332N296-T314 CarbonylContact O-C 3.56Å; N296-T314 WeakPolarHBondContact O-CA 3.34Å; T314-A330 PolarHBondContact N-O 3.04Å; T314-S331 WeakPolarHBondContact O-CA 3.42Å; T314-L332 PolarHBondContact O-N 3.35Å
315I98.8Very high98.4Very high2 Ų225.9 Ų25.91%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-123.7118.3178.5-61.5-174.5000109.2N296 I297 D298 A301 L303 I309 V313 V319N296-I315 PolarHBondContact O-N 3.18Å; I297-I315 HydrophobicContact CB-CB 4.33Å; I297-I315 HydrophobicContact CD1-CD1 4.35Å; I297-I315 HydrophobicContact CG1-CB 4.15Å; I297-I315 HydrophobicContact CG1-CD1 4.09Å; I297-I315 HydrophobicContact CG1-CG1 4.23Å; I297-I315 HydrophobicContact CG2-CB 4.02Å; I297-I315 HydrophobicContact CG2-CD1 4.47Å; I297-I315 HydrophobicContact CG2-CG2 4.14Å; D298-I315 PolarHBondContact N-O 3.5Å; A301-I315 HydrophobicContact CB-CG2 3.85Å; L303-I315 HydrophobicContact CD1-CD1 4.3Å; L303-I315 HydrophobicContact CD2-CD1 3.88Å; I309-I315 HydrophobicContact CD1-CD1 3.87Å; I309-I315 HydrophobicContact CG1-CD1 4.3Å; I309-I315 HydrophobicContact CG2-CD1 4.48Å; V313-I315 HydrophobicContact CG1-CD1 4.37Å; V313-I315 HydrophobicContact CG1-CG1 3.91Å; I315-V319 HydrophobicContact CG2-CB 3.56Å; I315-V319 HydrophobicContact CG2-CG1 3.67Å; I315-V319 HydrophobicContact CG2-CG2 4.06Å
316G98.8Very high98.4Very high13 Ų1324 Ų2413%0.13414%0.135CC..  trans-78.8-178.1179.900000114.7V319 L332G316-V319 VanDerWaalsContact O-CG2 3.27Å; G316-V319 WeakPolarHBondContact O-CG2 3.27Å; G316-L332 PolarHBondContact N-O 2.7Å
317A98.7Very high98.5Very high28 Ų2823.1 Ų23.123%0.23113%0.13CC..THydrogen-bonded Turntrans-67.9135.7-171.400000112.5D298 T300 V319 D334 Q335D298-A317 HydrophobicContact CB-CB 4.49Å; T300-A317 WeakPolarHBondContact OG1-CA 3.16Å; A317-V319 PolarHBondContact O-N 3.45Å; A317-D334 PolarHBondContact N-OD1 2.89Å; A317-D334 CarbonylContact O-C 3.5Å; A317-D334 VanDerWaalsContact O-CA 3.3Å; A317-D334 WeakPolarHBondContact O-CA 3.23Å; A317-Q335 PolarHBondContact O-N 2.7Å
318G98.4Very high98.4Very high6 Ų627.3 Ų27.36%0.06215%0.149CC..THydrogen-bonded Turntrans68.19.8176.400000115.6T300 R320T300-G318 PolarHBondContact OG1-N 2.67Å; G318-R320 PolarHBondContact O-NH1 3.48Å
319V98.9Very high98.4Very high0 Ų028.3 Ų28.30%016%0.16CC..  trans-63141.7176.9170.30000110.8A301 V302 I315 G316 A317 V321 L332 Q333 C336A301-V319 WeakPolarHBondContact CA-O 3.29Å; V302-V319 PolarHBondContact N-O 3.2Å; I315-V319 HydrophobicContact CG2-CB 3.56Å; I315-V319 HydrophobicContact CG2-CG1 3.67Å; I315-V319 HydrophobicContact CG2-CG2 4.06Å; G316-V319 VanDerWaalsContact O-CG2 3.27Å; G316-V319 WeakPolarHBondContact O-CG2 3.27Å; A317-V319 PolarHBondContact O-N 3.45Å; V319-V321 HydrophobicContact CG1-CG2 3.84Å; V319-L332 HydrophobicContact CG1-CB 4.17Å; V319-L332 HydrophobicContact CG1-CD2 3.84Å; V319-L332 HydrophobicContact CG2-CB 4.37Å; V319-Q333 WeakPolarHBondContact CG2-O 3.43Å; V319-C336 WeakPolarHBondContact CA-O 3.31Å
320R98.8Very high98.4Very high133 Ų13328.3 Ų28.350%0.50216%0.16SC..EExtended strand (participates in β ladder)trans-124.2120.2178.6-62.1178.6179.381.5-3.5110.9V302 G318 C336 C337 V338V302-R320 HydrophobicContact CB-CG 4.39Å; V302-R320 WeakPolarHBondContact O-CA 3.37Å; G318-R320 PolarHBondContact O-NH1 3.48Å; R320-C336 PolarHBondContact N-O 2.8Å; R320-C337 WeakPolarHBondContact O-CA 3.07Å; R320-V338 PolarHBondContact O-N 3.06Å
321V98.8Very high98.4Very high2 Ų229.1 Ų29.11%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-124.5133.3180-170.40000110.3V302 L303 G304 V307 V319 I326 L332 V338V302-V321 PolarHBondContact O-N 2.9Å; L303-V321 HydrophobicContact CD2-CB 3.85Å; L303-V321 HydrophobicContact CD2-CG2 3.77Å; G304-V321 PolarHBondContact N-O 2.72Å; V307-V321 HydrophobicContact CB-CG1 4.48Å; V307-V321 HydrophobicContact CG1-CB 4.35Å; V307-V321 HydrophobicContact CG1-CG1 3.77Å; V307-V321 HydrophobicContact CG2-CB 4.3Å; V307-V321 HydrophobicContact CG2-CG1 3.79Å; V319-V321 HydrophobicContact CG1-CG2 3.84Å; V321-I326 HydrophobicContact CG1-CD1 4.07Å; V321-I326 HydrophobicContact CG1-CG1 4.14Å; V321-L332 HydrophobicContact CG2-CD2 3.71Å; V321-V338 VanDerWaalsContact CA-O 3.31Å; V321-V338 WeakPolarHBondContact CA-O 3.37Å; V321-V338 HydrophobicContact CG1-CB 4.27Å; V321-V338 HydrophobicContact CG2-CB 4.38Å
322R98.3Very high98.5Very high111 Ų11126.6 Ų26.642%0.41915%0.147SC..EExtended strand (participates in β ladder)trans-148.5144.4177173.2178.377.9125.45111.3P305 S324 V338 L339 N340P305-R322 HydrophobicContact CG-CG 4.34Å; R322-S324 VanDerWaalsContact C-N 3.27Å; R322-S324 PolarHBondContact O-N 2.55Å; R322-S324 PolarHBondContact O-OG 3.35Å; R322-V338 PolarHBondContact N-O 2.84Å; R322-L339 HydrophobicContact CB-CD2 3.73Å; R322-L339 WeakPolarHBondContact O-CA 3.25Å; R322-N340 PolarHBondContact O-N 2.87Å
323E97.4Very high98.5Very high17 Ų1728.1 Ų28.18%0.07915%0.145CC..SBendtrans48.747.7178-62.6-63.7160.200112.2I257 R261 P305 N306 N340 S341I257-E323 HydrophobicContact CG2-CB 4.49Å; I257-E323 WeakPolarHBondContact CG2-O 3.32Å; R261-E323 IonicContact CZ-OE1 3.97Å; R261-E323 IonicContact CZ-OE2 3.23Å; R261-E323 IonicContact NE-OE1 2.76Å; R261-E323 IonicContact NE-OE2 3.06Å; R261-E323 PolarHBondContact NE-OE2 2.9Å; R261-E323 IonicContact NH2-OE1 3.13Å; R261-E323 PolarHBondContact NH2-OE1 2.92Å; R261-E323 IonicContact NH2-OE2 3.34Å; R261-E323 PolarHBondContact NH2-OE2 2.83Å; P305-E323 PolarHBondContact O-N 3.07Å; N306-E323 WeakPolarHBondContact CB-OE2 3.34Å; N306-E323 PolarHBondContact ND2-OE1 3.32Å; N306-E323 WeakPolarHBondContact O-CA 3.41Å; E323-N340 VanDerWaalsContact CB-OD1 3.28Å; E323-N340 WeakPolarHBondContact CB-OD1 3.31Å; E323-N340 WeakPolarHBondContact O-CA 3.4Å; E323-N340 PolarHBondContact O-N 3.06Å; E323-S341 PolarHBondContact O-N 3.13Å
324S98.4Very high98.5Very high0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-144.9152-167.9-63.40000112.6N306 V307 S308 R322 N340 S341N306-S324 PolarHBondContact O-N 2.92Å; V307-S324 WeakPolarHBondContact CA-O 2.98Å; S308-S324 PolarHBondContact N-O 2.8Å; R322-S324 VanDerWaalsContact C-N 3.27Å; R322-S324 PolarHBondContact O-N 2.55Å; R322-S324 PolarHBondContact O-OG 3.35Å; S324-N340 PolarHBondContact OG-N 2.8Å; S324-S341 CarbonylContact C-O 3.54Å; S324-S341 WeakPolarHBondContact CA-O 3.32Å; S324-S341 WeakPolarHBondContact CB-O 3.15Å; S324-S341 PolarHBondContact OG-N 3.49Å; S324-S341 VanDerWaalsContact OG-N 3.13Å; S324-S341 PolarHBondContact OG-O 3.25Å
325I98.6Very high98.5Very high3 Ų331.2 Ų31.22%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-111.8120174.3-57.4175.6000107.4F29 A256 I257 L327 S341 I342 V343F29-I325 HydrophobicContact CE1-CD1 4.06Å; F29-I325 HydrophobicContact CZ-CD1 4.37Å; F29-I325 HydrophobicContact CZ-CG2 4.49Å; A256-I325 HydrophobicContact CB-CD1 4.42Å; I257-I325 HydrophobicContact CG1-CD1 4.36Å; I257-I325 HydrophobicContact CG1-CG1 4.4Å; I325-L327 HydrophobicContact CG2-CD2 3.59Å; I325-L327 HydrophobicContact CG2-CG 4.23Å; I325-S341 PolarHBondContact N-O 2.99Å; I325-I342 HydrophobicContact CB-CG1 4.26Å; I325-I342 HydrophobicContact CB-CG2 4.4Å; I325-I342 HydrophobicContact CD1-CD1 4.26Å; I325-I342 HydrophobicContact CD1-CG1 4.49Å; I325-I342 WeakPolarHBondContact O-CA 3.14Å; I325-V343 PolarHBondContact O-N 3.25Å
326I98.8Very high98.5Very high1 Ų131.1 Ų31.11%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-107.4110177.5-47.5-58000107.7S308 I309 G310 V313 V321 A330 L332 V338 V343S308-I326 PolarHBondContact O-N 3.47Å; I309-I326 HydrophobicContact CD1-CB 3.75Å; I309-I326 HydrophobicContact CD1-CG1 3.46Å; I309-I326 VanDerWaalsContact CD1-CG1 3.46Å; G310-I326 PolarHBondContact N-O 2.82Å; V313-I326 HydrophobicContact CG1-CG2 3.73Å; V313-I326 HydrophobicContact CG2-CG2 3.95Å; V321-I326 HydrophobicContact CG1-CD1 4.07Å; V321-I326 HydrophobicContact CG1-CG1 4.14Å; I326-A330 HydrophobicContact CG2-CB 3.83Å; I326-L332 HydrophobicContact CD1-CD2 4.37Å; I326-L332 HydrophobicContact CG2-CD1 3.93Å; I326-V338 HydrophobicContact CD1-CG1 4.03Å; I326-V343 HydrophobicContact CD1-CB 3.83Å; I326-V343 HydrophobicContact CD1-CG2 3.5Å; I326-V343 HydrophobicContact CG2-CB 4.35Å
327L98.3Very high98.5Very high3 Ų331.6 Ų31.62%0.01616%0.158CC..  trans-82.4169.8-172.6-59.8176.6000112.1L20 F29 P30 V313 I325 A330 I342 V343 W345L20-L327 HydrophobicContact CD2-CD1 4.05Å; F29-L327 HydrophobicContact CE2-CD1 3.8Å; F29-L327 HydrophobicContact CE2-CD2 4.07Å; F29-L327 HydrophobicContact CZ-CD1 4.38Å; F29-L327 HydrophobicContact CZ-CD2 4.22Å; P30-L327 HydrophobicContact CG-CD2 3.4Å; P30-L327 VanDerWaalsContact CG-CD2 3.4Å; V313-L327 WeakPolarHBondContact CG2-O 3.09Å; I325-L327 HydrophobicContact CG2-CD2 3.59Å; I325-L327 HydrophobicContact CG2-CG 4.23Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.17Å; L327-I342 HydrophobicContact CD1-CG2 3.9Å; L327-I342 HydrophobicContact CG-CG2 4.29Å; L327-V343 VanDerWaalsContact CB-O 3.25Å; L327-V343 WeakPolarHBondContact CB-O 3.15Å; L327-V343 VanDerWaalsContact CG-O 3.31Å; L327-V343 WeakPolarHBondContact CG-O 3.36Å; L327-V343 PolarHBondContact N-O 3.23Å; L327-W345 HydrophobicContact CB-CD2 4.12Å; L327-W345 HydrophobicContact CB-CG 4.21Å; L327-W345 HydrophobicContact CD1-CD2 3.83Å; L327-W345 HydrophobicContact CD1-CE3 3.68Å; L327-W345 HydrophobicContact CD1-CH2 3.61Å; L327-W345 HydrophobicContact CD1-CZ2 3.76Å; L327-W345 HydrophobicContact CD1-CZ3 3.57Å
328H97.2Very high98.5Very high88 Ų8830.2 Ų30.241%0.40715%0.147SC..THydrogen-bonded Turntrans-48.3138.1-172.8170.8106.4000113T311 A330 W345 D346T311-H328 VanDerWaalsContact O-CA 3.27Å; T311-H328 WeakPolarHBondContact O-CA 3.38Å; T311-H328 PolarHBondContact O-ND1 3.46Å; H328-A330 PolarHBondContact O-N 2.76Å; H328-W345 CarbonylContact O-C 3.52Å; H328-W345 VanDerWaalsContact O-CA 3.26Å; H328-W345 WeakPolarHBondContact O-CA 3.26Å; H328-D346 IonicContact CD2-OD1 2.67Å; H328-D346 PolarHBondContact O-N 2.91Å
329G98Very high98.5Very high24 Ų2430.7 Ų30.725%0.24715%0.148CC..THydrogen-bonded Turntrans69.1-2.3173.300000115.8T311 D346T311-G329 PolarHBondContact O-N 2.94Å; G329-D346 WeakPolarHBondContact CA-OD1 3.3Å
330A98.6Very high98.4Very high0 Ų031.1 Ų31.10%015%0.15CC..  trans-63.2145.1178.100000112.1V313 T314 I326 L327 H328 V343 S347V313-A330 VanDerWaalsContact CA-O 3.32Å; V313-A330 WeakPolarHBondContact CA-O 3.19Å; V313-A330 WeakPolarHBondContact CG1-O 3.26Å; V313-A330 HydrophobicContact CG2-CB 4.44Å; T314-A330 PolarHBondContact N-O 3.04Å; I326-A330 HydrophobicContact CG2-CB 3.83Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.17Å; H328-A330 PolarHBondContact O-N 2.76Å; A330-V343 HydrophobicContact CB-CG1 3.81Å; A330-S347 CarbonylContact C-O 3.52Å; A330-S347 VanDerWaalsContact CA-O 3.25Å; A330-S347 WeakPolarHBondContact CA-O 3.32Å
331S98.8Very high98.3Very high34 Ų3424.8 Ų24.824%0.23813%0.126CC..EExtended strand (participates in β ladder)trans-123.5114.2-178.6177.70000110.9T314 S347 T348 I349T314-S331 WeakPolarHBondContact O-CA 3.42Å; S331-S347 PolarHBondContact N-O 2.71Å; S331-T348 CarbonylContact O-C 3.55Å; S331-T348 WeakPolarHBondContact O-CA 3.49Å; S331-I349 PolarHBondContact O-N 2.97Å
332L98.8Very high98.3Very high1 Ų124.7 Ų24.71%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-101.6110.5176.1-8262.9000108.5T314 G316 V319 V321 I326 V338 V343 I349T314-L332 PolarHBondContact O-N 3.35Å; G316-L332 PolarHBondContact N-O 2.7Å; V319-L332 HydrophobicContact CG1-CB 4.17Å; V319-L332 HydrophobicContact CG1-CD2 3.84Å; V319-L332 HydrophobicContact CG2-CB 4.37Å; V321-L332 HydrophobicContact CG2-CD2 3.71Å; I326-L332 HydrophobicContact CD1-CD2 4.37Å; I326-L332 HydrophobicContact CG2-CD1 3.93Å; L332-V338 HydrophobicContact CD2-CB 4.5Å; L332-V338 HydrophobicContact CD2-CG2 3.69Å; L332-V338 HydrophobicContact CG-CG2 4.27Å; L332-V343 HydrophobicContact CD1-CG1 4.4Å; L332-I349 HydrophobicContact CD1-CD1 4.28Å; L332-I349 HydrophobicContact CG-CB 4.44Å; L332-I349 HydrophobicContact CG-CD1 4.18Å
333Q98.8Very high98.3Very high66 Ų6619.4 Ų19.431%0.30811%0.106SC..  trans-78.5166.3-179.4-60.3-178.2-3.900112.3V319 C336 T348 I349 K351V319-Q333 WeakPolarHBondContact CG2-O 3.43Å; Q333-C336 WeakPolarHBondContact O-CB 3.41Å; Q333-C336 PolarHBondContact O-N 2.88Å; Q333-C336 PolarHBondContact O-SG 3.47Å; Q333-C336 VanDerWaalsContact O-SG 3.41Å; Q333-T348 HydrophobicContact CG-CG2 4.43Å; Q333-I349 VanDerWaalsContact CB-O 3.27Å; Q333-I349 WeakPolarHBondContact CB-O 3.4Å; Q333-I349 WeakPolarHBondContact CG-O 3.27Å; Q333-I349 PolarHBondContact N-O 3.33Å; Q333-K351 HydrophobicContact CB-CG 3.73Å
334D98.8Very high98.3Very high57 Ų5718.6 Ų18.631%0.30510%0.102SC..THydrogen-bonded Turntrans-46.8137.7-171.5-48.4-34.5000114.4A317 C336 K351 W352A317-D334 PolarHBondContact N-OD1 2.89Å; A317-D334 CarbonylContact O-C 3.5Å; A317-D334 VanDerWaalsContact O-CA 3.3Å; A317-D334 WeakPolarHBondContact O-CA 3.23Å; D334-C336 PolarHBondContact O-N 3.13Å; D334-C336 VanDerWaalsContact O-N 3.07Å; D334-K351 HydrophobicContact CB-CD 4.48Å; D334-K351 HydrophobicContact CB-CG 4.34Å; D334-K351 WeakPolarHBondContact O-CA 3.17Å; D334-K351 WeakPolarHBondContact OD2-CE 3.32Å; D334-K351 IonicContact OD2-NZ 3.89Å; D334-K351 PolarHBondContact OD2-NZ 3.01Å; D334-W352 PolarHBondContact O-N 3.38Å
335Q98.6Very high98.2Very high66 Ų6619.8 Ų19.831%0.30811%0.107SC..THydrogen-bonded Turntrans61.612.8172.9-54.2-70-18.400114.9A317 W352A317-Q335 PolarHBondContact O-N 2.7Å; Q335-W352 HydrophobicContact CB-CD2 3.6Å; Q335-W352 HydrophobicContact CB-CE3 3.6Å; Q335-W352 HydrophobicContact CB-CG 4.25Å; Q335-W352 HydrophobicContact CB-CH2 3.98Å; Q335-W352 HydrophobicContact CB-CZ2 3.98Å; Q335-W352 HydrophobicContact CB-CZ3 3.79Å; Q335-W352 HydrophobicContact CG-CD2 4.25Å; Q335-W352 HydrophobicContact CG-CE3 4.32Å; Q335-W352 HydrophobicContact CG-CH2 3.76Å; Q335-W352 HydrophobicContact CG-CZ2 3.68Å; Q335-W352 HydrophobicContact CG-CZ3 4.08Å
336C98.6Very high98.2Very high1 Ų123.1 Ų23.11%0.00712%0.124CC..  trans-73.8160.7173.586.70000111.8V319 R320 Q333 D334 I349 G350 A353V319-C336 WeakPolarHBondContact CA-O 3.31Å; R320-C336 PolarHBondContact N-O 2.8Å; Q333-C336 WeakPolarHBondContact O-CB 3.41Å; Q333-C336 PolarHBondContact O-N 2.88Å; Q333-C336 PolarHBondContact O-SG 3.47Å; Q333-C336 VanDerWaalsContact O-SG 3.41Å; D334-C336 PolarHBondContact O-N 3.13Å; D334-C336 VanDerWaalsContact O-N 3.07Å; C336-I349 HydrophobicContact CB-CG2 3.81Å; C336-G350 WeakPolarHBondContact CB-O 3.42Å; C336-A353 CarbonylContact C-O 3.53Å; C336-A353 WeakPolarHBondContact CA-O 3.33Å; C336-A353 WeakPolarHBondContact CB-O 3.29Å
337C98.6Very high98.2Very high22 Ų2223 Ų2315%0.14912%0.124CC..EExtended strand (participates in β ladder)trans-130129.2179.6-173.50000110.9R320 A353 R354 V355R320-C337 WeakPolarHBondContact O-CA 3.07Å; C337-A353 PolarHBondContact N-O 3.24Å; C337-R354 HydrophobicContact CB-CG 4.39Å; C337-R354 CarbonylContact O-C 2.97Å; C337-R354 WeakPolarHBondContact O-CA 3.28Å; C337-V355 PolarHBondContact O-N 3.05Å
338V98.8Very high98.2Very high0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-126.7118.8-179.6-174.80000110.3R320 V321 R322 I326 L332 V343 I349 V355R320-V338 PolarHBondContact O-N 3.06Å; V321-V338 VanDerWaalsContact CA-O 3.31Å; V321-V338 WeakPolarHBondContact CA-O 3.37Å; V321-V338 HydrophobicContact CG1-CB 4.27Å; V321-V338 HydrophobicContact CG2-CB 4.38Å; R322-V338 PolarHBondContact N-O 2.84Å; I326-V338 HydrophobicContact CD1-CG1 4.03Å; L332-V338 HydrophobicContact CD2-CB 4.5Å; L332-V338 HydrophobicContact CD2-CG2 3.69Å; L332-V338 HydrophobicContact CG-CG2 4.27Å; V338-V343 HydrophobicContact CG1-CG2 3.84Å; V338-I349 HydrophobicContact CG2-CD1 3.61Å; V338-V355 CarbonylContact C-O 3.54Å; V338-V355 VanDerWaalsContact CA-O 3.26Å; V338-V355 WeakPolarHBondContact CA-O 3.45Å; V338-V355 HydrophobicContact CG2-CB 4.43Å
339L98.1Very high98.3Very high16 Ų1620.6 Ų20.68%0.08412%0.115CC..EExtended strand (participates in β ladder)trans-135.7133.6-173-57.2174.6000110.7R322 S341 V355 E356 G357R322-L339 HydrophobicContact CB-CD2 3.73Å; R322-L339 WeakPolarHBondContact O-CA 3.25Å; L339-S341 PolarHBondContact O-N 3.2Å; L339-S341 PolarHBondContact O-OG 2.88Å; L339-V355 PolarHBondContact N-O 2.83Å; L339-E356 HydrophobicContact CB-CB 4.35Å; L339-E356 HydrophobicContact CB-CG 4.06Å; L339-E356 HydrophobicContact CD1-CG 4.39Å; L339-E356 CarbonylContact O-C 3.59Å; L339-E356 VanDerWaalsContact O-CA 3.29Å; L339-E356 WeakPolarHBondContact O-CA 3.35Å; L339-G357 PolarHBondContact O-N 2.85Å
340N97.1Very high98.3Very high9 Ų919.5 Ų19.55%0.04810%0.104CC..SBendtrans49.246176.1-51.1-57.2000112.5R322 E323 S324 G357 I386 T387R322-N340 PolarHBondContact O-N 2.87Å; E323-N340 VanDerWaalsContact CB-OD1 3.28Å; E323-N340 WeakPolarHBondContact CB-OD1 3.31Å; E323-N340 WeakPolarHBondContact O-CA 3.4Å; E323-N340 PolarHBondContact O-N 3.06Å; S324-N340 PolarHBondContact OG-N 2.8Å; N340-G357 WeakPolarHBondContact CB-O 3.35Å; N340-G357 PolarHBondContact ND2-O 3.42Å; N340-G357 WeakPolarHBondContact O-CA 3.33Å; N340-I386 WeakPolarHBondContact O-CA 3.37Å; N340-I386 VanDerWaalsContact O-CB 3.29Å; N340-I386 WeakPolarHBondContact O-CB 3.48Å; N340-T387 PolarHBondContact O-N 3.12Å
341S97.8Very high98.3Very high0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-137.7155-168.3-63.10000112.8E323 S324 I325 L339 V355 T387E323-S341 PolarHBondContact O-N 3.13Å; S324-S341 CarbonylContact C-O 3.54Å; S324-S341 WeakPolarHBondContact CA-O 3.32Å; S324-S341 WeakPolarHBondContact CB-O 3.15Å; S324-S341 PolarHBondContact OG-N 3.49Å; S324-S341 VanDerWaalsContact OG-N 3.13Å; S324-S341 PolarHBondContact OG-O 3.25Å; I325-S341 PolarHBondContact N-O 2.99Å; L339-S341 PolarHBondContact O-N 3.2Å; L339-S341 PolarHBondContact O-OG 2.88Å; S341-V355 PolarHBondContact OG-O 2.94Å; S341-T387 CarbonylContact C-O 3.55Å; S341-T387 WeakPolarHBondContact CA-O 3.42Å; S341-T387 WeakPolarHBondContact CB-O 3.27Å
342I97.9Very high98.3Very high0 Ų029.7 Ų29.70%014%0.14CC..EExtended strand (participates in β ladder)trans-112.5116.5166-57.1-175.2000107.6L20 F29 A253 A256 I257 I325 L327 I386 T387 L389L20-I342 HydrophobicContact CD1-CB 4.37Å; L20-I342 HydrophobicContact CD1-CD1 3.74Å; L20-I342 HydrophobicContact CD1-CG2 3.89Å; L20-I342 HydrophobicContact CD2-CG2 3.82Å; F29-I342 HydrophobicContact CZ-CD1 4.09Å; F29-I342 HydrophobicContact CZ-CG2 4.24Å; A253-I342 HydrophobicContact CB-CD1 4.02Å; A256-I342 HydrophobicContact CB-CD1 4.44Å; I257-I342 HydrophobicContact CD1-CG1 3.96Å; I257-I342 HydrophobicContact CG1-CD1 4.19Å; I257-I342 HydrophobicContact CG1-CG1 3.9Å; I325-I342 HydrophobicContact CB-CG1 4.26Å; I325-I342 HydrophobicContact CB-CG2 4.4Å; I325-I342 HydrophobicContact CD1-CD1 4.26Å; I325-I342 HydrophobicContact CD1-CG1 4.49Å; I325-I342 WeakPolarHBondContact O-CA 3.14Å; L327-I342 HydrophobicContact CD1-CG2 3.9Å; L327-I342 HydrophobicContact CG-CG2 4.29Å; I342-I386 HydrophobicContact CD1-CD1 4.06Å; I342-I386 HydrophobicContact CG1-CD1 4.07Å; I342-T387 PolarHBondContact N-O 3.14Å; I342-L389 PolarHBondContact O-N 3.27Å
343V98.4Very high98.3Very high0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-93.2116.5174.8179.60000107.8I325 I326 L327 A330 L332 V338 I349 L389I325-V343 PolarHBondContact O-N 3.25Å; I326-V343 HydrophobicContact CD1-CB 3.83Å; I326-V343 HydrophobicContact CD1-CG2 3.5Å; I326-V343 HydrophobicContact CG2-CB 4.35Å; L327-V343 VanDerWaalsContact CB-O 3.25Å; L327-V343 WeakPolarHBondContact CB-O 3.15Å; L327-V343 VanDerWaalsContact CG-O 3.31Å; L327-V343 WeakPolarHBondContact CG-O 3.36Å; L327-V343 PolarHBondContact N-O 3.23Å; A330-V343 HydrophobicContact CB-CG1 3.81Å; L332-V343 HydrophobicContact CD1-CG1 4.4Å; V338-V343 HydrophobicContact CG1-CG2 3.84Å; V343-I349 HydrophobicContact CG1-CD1 4.11Å; V343-I349 HydrophobicContact CG2-CD1 3.66Å; V343-L389 HydrophobicContact CG1-CD1 4.33Å; V343-L389 HydrophobicContact CG2-CD1 4.45Å
344G97Very high98.3Very high0 Ų030.8 Ų30.80%014%0.142CC..PPolyproline II helixtrans-64165.1-176.400000114.4S347 L389 G390G344-S347 VanDerWaalsContact O-CB 3.28Å; G344-S347 WeakPolarHBondContact O-CB 3.35Å; G344-S347 PolarHBondContact O-N 3.29Å; G344-S347 PolarHBondContact O-OG 3.05Å; G344-L389 WeakPolarHBondContact CA-O 3.23Å; G344-L389 PolarHBondContact N-O 2.87Å; G344-G390 WeakPolarHBondContact CA-O 3.14Å
345W97.6Very high98.3Very high25 Ų2528.1 Ų28.110%0.09513%0.127CC..THydrogen-bonded Turntrans-52.8139.1176.6-61-106.4000111.7L20 E23 V24 F29 L327 H328 S347 C391 N392L20-W345 HydrophobicContact CB-CH2 4.29Å; L20-W345 HydrophobicContact CB-CZ3 4.17Å; L20-W345 HydrophobicContact CD2-CZ3 3.93Å; L20-W345 WeakPolarHBondContact O-CH2 3.44Å; E23-W345 HydrophobicContact CB-CD2 4.26Å; E23-W345 HydrophobicContact CB-CE3 3.84Å; E23-W345 HydrophobicContact CB-CH2 4.12Å; E23-W345 HydrophobicContact CB-CZ2 4.5Å; E23-W345 HydrophobicContact CB-CZ3 3.77Å; E23-W345 HydrophobicContact CG-CD2 3.88Å; E23-W345 HydrophobicContact CG-CE3 3.95Å; E23-W345 HydrophobicContact CG-CG 4.23Å; E23-W345 HydrophobicContact CG-CZ3 4.32Å; V24-W345 HydrophobicContact CB-CZ2 4.37Å; V24-W345 HydrophobicContact CG1-CZ2 3.89Å; V24-W345 HydrophobicContact CG2-CH2 3.69Å; V24-W345 HydrophobicContact CG2-CZ2 3.53Å; F29-W345 AromaticContact CD2-CH2 3.97Å; F29-W345 HydrophobicContact CD2-CH2 3.97Å; F29-W345 HydrophobicContact CD2-CZ2 4.34Å; F29-W345 HydrophobicContact CE2-CH2 4.03Å; L327-W345 HydrophobicContact CB-CD2 4.12Å; L327-W345 HydrophobicContact CB-CG 4.21Å; L327-W345 HydrophobicContact CD1-CD2 3.83Å; L327-W345 HydrophobicContact CD1-CE3 3.68Å; L327-W345 HydrophobicContact CD1-CH2 3.61Å; L327-W345 HydrophobicContact CD1-CZ2 3.76Å; L327-W345 HydrophobicContact CD1-CZ3 3.57Å; H328-W345 CarbonylContact O-C 3.52Å; H328-W345 VanDerWaalsContact O-CA 3.26Å; H328-W345 WeakPolarHBondContact O-CA 3.26Å; W345-S347 PolarHBondContact O-N 3.36Å; W345-S347 PolarHBondContact O-OG 3.06Å; W345-C391 HydrophobicContact CB-CB 3.92Å; W345-C391 HydrophobicContact CE3-CB 4.36Å; W345-C391 CarbonylContact O-C 3.48Å; W345-C391 WeakPolarHBondContact O-CA 3.11Å; W345-N392 PolarHBondContact O-N 3Å
346D98.2Very high98.2Very high72 Ų7227 Ų2739%0.38512%0.122SC..THydrogen-bonded Turntrans52.324174.1-53.5-54.2000114.4H328 G329 N392H328-D346 IonicContact CD2-OD1 2.67Å; H328-D346 PolarHBondContact O-N 2.91Å; G329-D346 WeakPolarHBondContact CA-OD1 3.3Å; D346-N392 WeakPolarHBondContact CB-OD1 3.4Å
347S98.6Very high98.1Very high0 Ų027.1 Ų27.10%012%0.124CC..  trans-89.9143.7-179-62.80000111A330 S331 G344 W345 G390 N392 V393A330-S347 CarbonylContact C-O 3.52Å; A330-S347 VanDerWaalsContact CA-O 3.25Å; A330-S347 WeakPolarHBondContact CA-O 3.32Å; S331-S347 PolarHBondContact N-O 2.71Å; G344-S347 VanDerWaalsContact O-CB 3.28Å; G344-S347 WeakPolarHBondContact O-CB 3.35Å; G344-S347 PolarHBondContact O-N 3.29Å; G344-S347 PolarHBondContact O-OG 3.05Å; W345-S347 PolarHBondContact O-N 3.36Å; W345-S347 PolarHBondContact O-OG 3.06Å; S347-G390 PolarHBondContact OG-O 2.85Å; S347-N392 PolarHBondContact OG-N 2.82Å; S347-V393 CarbonylContact C-O 3.45Å; S347-V393 WeakPolarHBondContact CA-O 3.4Å; S347-V393 VanDerWaalsContact CB-O 3.26Å; S347-V393 WeakPolarHBondContact CB-O 3.26Å; S347-V393 PolarHBondContact OG-N 2.88Å; S347-V393 VanDerWaalsContact OG-N 3.09Å
348T98.8Very high97.8Very high39 Ų3928.6 Ų28.624%0.23913%0.132CC..EExtended strand (participates in β ladder)trans-111.7130.5-179.8-62.90000110.9S331 Q333 V393 I395S331-T348 CarbonylContact O-C 3.55Å; S331-T348 WeakPolarHBondContact O-CA 3.49Å; Q333-T348 HydrophobicContact CG-CG2 4.43Å; T348-V393 PolarHBondContact N-O 3.12Å; T348-I395 PolarHBondContact O-N 3.33Å
349I98.8Very high97.2Very high0 Ų031.9 Ų31.90%015%0.153CC..EExtended strand (participates in β ladder)trans-108.7119.1170.6-62.3174.6000108.6S331 L332 Q333 C336 V338 V343 A353 V355 L389 I395S331-I349 PolarHBondContact O-N 2.97Å; L332-I349 HydrophobicContact CD1-CD1 4.28Å; L332-I349 HydrophobicContact CG-CB 4.44Å; L332-I349 HydrophobicContact CG-CD1 4.18Å; Q333-I349 VanDerWaalsContact CB-O 3.27Å; Q333-I349 WeakPolarHBondContact CB-O 3.4Å; Q333-I349 WeakPolarHBondContact CG-O 3.27Å; Q333-I349 PolarHBondContact N-O 3.33Å; C336-I349 HydrophobicContact CB-CG2 3.81Å; V338-I349 HydrophobicContact CG2-CD1 3.61Å; V343-I349 HydrophobicContact CG1-CD1 4.11Å; V343-I349 HydrophobicContact CG2-CD1 3.66Å; I349-A353 HydrophobicContact CG2-CB 3.84Å; I349-V355 HydrophobicContact CD1-CB 4.27Å; I349-V355 HydrophobicContact CD1-CG2 3.73Å; I349-V355 HydrophobicContact CG1-CG2 4.13Å; I349-V355 HydrophobicContact CG2-CG2 4.1Å; I349-L389 HydrophobicContact CD1-CD1 4.23Å; I349-L389 HydrophobicContact CG1-CD1 4.25Å; I349-I395 HydrophobicContact CG1-CG1 4.34Å
350G98.6Very high96.4Very high2 Ų232.7 Ų32.72%0.02116%0.16CC..  trans-65.5165.7-17900000114.3C336 A353 I395C336-G350 WeakPolarHBondContact CB-O 3.42Å; G350-A353 VanDerWaalsContact O-CB 3.23Å; G350-A353 WeakPolarHBondContact O-CB 3.48Å; G350-A353 PolarHBondContact O-N 3.43Å; G350-I395 WeakPolarHBondContact CA-O 3.29Å; G350-I395 PolarHBondContact N-O 2.87Å
351K98.7Very high95.8Very high89 Ų8935.3 Ų35.339%0.38717%0.174SC..THydrogen-bonded Turntrans-59142.8-179.9-61.8-176.6-178.4-164.50111.2Q333 D334 A353 S397 E398Q333-K351 HydrophobicContact CB-CG 3.73Å; D334-K351 HydrophobicContact CB-CD 4.48Å; D334-K351 HydrophobicContact CB-CG 4.34Å; D334-K351 WeakPolarHBondContact O-CA 3.17Å; D334-K351 WeakPolarHBondContact OD2-CE 3.32Å; D334-K351 IonicContact OD2-NZ 3.89Å; D334-K351 PolarHBondContact OD2-NZ 3.01Å; K351-A353 PolarHBondContact O-N 2.77Å; K351-S397 PolarHBondContact N-OG 3.39Å; K351-S397 CarbonylContact O-C 3.56Å; K351-S397 WeakPolarHBondContact O-CA 3.5Å; K351-S397 WeakPolarHBondContact O-CB 3.46Å; K351-E398 PolarHBondContact O-N 2.8Å
352W98.4Very high95.2Very high159 Ų15936.2 Ų36.260%0.60218%0.18SC*.THydrogen-bonded Turntrans56.511.1178.6-55.699000115.2D334 Q335 E398D334-W352 PolarHBondContact O-N 3.38Å; Q335-W352 HydrophobicContact CB-CD2 3.6Å; Q335-W352 HydrophobicContact CB-CE3 3.6Å; Q335-W352 HydrophobicContact CB-CG 4.25Å; Q335-W352 HydrophobicContact CB-CH2 3.98Å; Q335-W352 HydrophobicContact CB-CZ2 3.98Å; Q335-W352 HydrophobicContact CB-CZ3 3.79Å; Q335-W352 HydrophobicContact CG-CD2 4.25Å; Q335-W352 HydrophobicContact CG-CE3 4.32Å; Q335-W352 HydrophobicContact CG-CH2 3.76Å; Q335-W352 HydrophobicContact CG-CZ2 3.68Å; Q335-W352 HydrophobicContact CG-CZ3 4.08Å; W352-E398 HydrophobicContact CB-CG 4.02Å
353A98.6Very high94.6Very high2 Ų240.4 Ų40.42%0.01720%0.202CC..  trans-77.1153.417700000110.9C336 C337 I349 G350 K351 I395 V399C336-A353 CarbonylContact C-O 3.53Å; C336-A353 WeakPolarHBondContact CA-O 3.33Å; C336-A353 WeakPolarHBondContact CB-O 3.29Å; C337-A353 PolarHBondContact N-O 3.24Å; I349-A353 HydrophobicContact CG2-CB 3.84Å; G350-A353 VanDerWaalsContact O-CB 3.23Å; G350-A353 WeakPolarHBondContact O-CB 3.48Å; G350-A353 PolarHBondContact O-N 3.43Å; K351-A353 PolarHBondContact O-N 2.77Å; A353-I395 HydrophobicContact CB-CG2 4.29Å; A353-V399 CarbonylContact C-O 3.47Å; A353-V399 VanDerWaalsContact CA-O 3.3Å; A353-V399 WeakPolarHBondContact CA-O 3.19Å
354R98.5Very high94Very high88 Ų8846.1 Ų46.133%0.33224%0.24SC..EExtended strand (participates in β ladder)trans-122.5117.8175.2-174.3177-179.596.3-3.1110.2C337 E356 V399 I400 I401C337-R354 HydrophobicContact CB-CG 4.39Å; C337-R354 CarbonylContact O-C 2.97Å; C337-R354 WeakPolarHBondContact O-CA 3.28Å; R354-E356 HydrophobicContact CG-CB 4.38Å; R354-E356 IonicContact CZ-OE1 2.6Å; R354-E356 IonicContact CZ-OE2 3.53Å; R354-E356 IonicContact NE-OE2 2.97Å; R354-E356 PolarHBondContact NE-OE2 2.82Å; R354-E356 IonicContact NH2-OE1 3.21Å; R354-E356 PolarHBondContact NH2-OE1 3.1Å; R354-E356 IonicContact NH2-OE2 2.71Å; R354-E356 PolarHBondContact NH2-OE2 2.92Å; R354-V399 PolarHBondContact N-O 2.8Å; R354-I400 HydrophobicContact CB-CG1 4.25Å; R354-I400 HydrophobicContact CB-CG2 4.44Å; R354-I400 CarbonylContact O-C 3.43Å; R354-I400 WeakPolarHBondContact O-CA 3.4Å; R354-I401 PolarHBondContact O-N 3.12Å
355V98.6Very high93.5Very high0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-111.6110.1173.9-177.80000107.3C337 V338 L339 S341 I349 T387 L389 I401C337-V355 PolarHBondContact O-N 3.05Å; V338-V355 CarbonylContact C-O 3.54Å; V338-V355 VanDerWaalsContact CA-O 3.26Å; V338-V355 WeakPolarHBondContact CA-O 3.45Å; V338-V355 HydrophobicContact CG2-CB 4.43Å; L339-V355 PolarHBondContact N-O 2.83Å; S341-V355 PolarHBondContact OG-O 2.94Å; I349-V355 HydrophobicContact CD1-CB 4.27Å; I349-V355 HydrophobicContact CD1-CG2 3.73Å; I349-V355 HydrophobicContact CG1-CG2 4.13Å; I349-V355 HydrophobicContact CG2-CG2 4.1Å; V355-T387 HydrophobicContact CG1-CG2 3.47Å; V355-T387 VanDerWaalsContact CG1-CG2 3.47Å; V355-L389 HydrophobicContact CG1-CD1 4.34Å; V355-I401 WeakPolarHBondContact CA-O 3.3Å; V355-I401 HydrophobicContact CG2-CB 4.41Å
356E97.8Very high93Very high44 Ų4454.3 Ų54.321%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-135.9139.1-171.7177.6168.4-145.900111.6L339 R354 T387 I401 L402 N403L339-E356 HydrophobicContact CB-CB 4.35Å; L339-E356 HydrophobicContact CB-CG 4.06Å; L339-E356 HydrophobicContact CD1-CG 4.39Å; L339-E356 CarbonylContact O-C 3.59Å; L339-E356 VanDerWaalsContact O-CA 3.29Å; L339-E356 WeakPolarHBondContact O-CA 3.35Å; R354-E356 HydrophobicContact CG-CB 4.38Å; R354-E356 IonicContact CZ-OE1 2.6Å; R354-E356 IonicContact CZ-OE2 3.53Å; R354-E356 IonicContact NE-OE2 2.97Å; R354-E356 PolarHBondContact NE-OE2 2.82Å; R354-E356 IonicContact NH2-OE1 3.21Å; R354-E356 PolarHBondContact NH2-OE1 3.1Å; R354-E356 IonicContact NH2-OE2 2.71Å; R354-E356 PolarHBondContact NH2-OE2 2.92Å; E356-T387 WeakPolarHBondContact O-CB 3.18Å; E356-T387 PolarHBondContact O-OG1 3.06Å; E356-I401 PolarHBondContact N-O 3.36Å; E356-L402 HydrophobicContact CB-CD1 3.97Å; E356-L402 HydrophobicContact CG-CD1 3.88Å; E356-L402 CarbonylContact O-C 3.56Å; E356-L402 VanDerWaalsContact O-CA 3.26Å; E356-L402 WeakPolarHBondContact O-CA 3.26Å; E356-L402 WeakPolarHBondContact O-CD1 3.21Å; E356-N403 PolarHBondContact O-N 2.9Å
357G95.3Very high92.1Very high3 Ų356.2 Ų56.23%0.03130%0.301CS..  trans-118.2172.9170.500000112.9L339 N340 N403L339-G357 PolarHBondContact O-N 2.85Å; N340-G357 WeakPolarHBondContact CB-O 3.35Å; N340-G357 PolarHBondContact ND2-O 3.42Å; N340-G357 WeakPolarHBondContact O-CA 3.33Å; G357-N403 VanDerWaalsContact C-OD1 3.25Å; G357-N403 WeakPolarHBondContact CA-OD1 3.45Å
358T92.4Very high91.6Very high52 Ų5260.9 Ų60.932%0.31932%0.322SS..  trans-93128.1171.9-58.80000108.8S385 I386 N403T358-S385 PolarHBondContact N-O 3.2Å; T358-S385 CarbonylContact O-C 3.6Å; T358-I386 PolarHBondContact O-N 2.73Å; T358-N403 PolarHBondContact N-OD1 2.83Å; T358-N403 VanDerWaalsContact OG1-CG 3.23Å; T358-N403 PolarHBondContact OG1-ND2 3.1Å; T358-N403 VanDerWaalsContact OG1-ND2 3.12Å; T358-N403 PolarHBondContact OG1-OD1 3.09Å
359P86.5Confident91.1Very high69 Ų6959.7 Ų59.745%0.44832%0.316SS..  trans-56.1144.9177-22.230.7000112.4
360S81.6Confident90.7Very high34 Ų3461.1 Ų61.124%0.23832%0.322CS..  trans-113.533.2178.8-174.30000111.7
361D84.1Confident90Very high64 Ų6461.5 Ų61.534%0.34232%0.324SS..  trans-75.7150.6-173.1-68.3-30.7000112.2Y258 R261Y258-D361 WeakPolarHBondContact CD2-OD1 3.28Å; R261-D361 IonicContact CZ-OD1 3.72Å; R261-D361 IonicContact CZ-OD2 3.4Å; R261-D361 VanDerWaalsContact CZ-OD2 3.31Å; R261-D361 IonicContact NH1-OD1 3.98Å; R261-D361 PolarHBondContact NH1-OD1 2.88Å; R261-D361 IonicContact NH1-OD2 3.2Å; R261-D361 PolarHBondContact NH1-OD2 3.1Å; R261-D361 IonicContact NH2-OD1 3.07Å; R261-D361 PolarHBondContact NH2-OD1 2.65Å; R261-D361 VanDerWaalsContact NH2-OD1 3.13Å; R261-D361 IonicContact NH2-OD2 3.32Å; R261-D361 PolarHBondContact NH2-OD2 3.31Å
362P85.9Confident88.8Confident19 Ų1961.1 Ų61.112%0.12333%0.326CS..  trans-56.6151.4167.9-20.131.9000111.5Y258 P364 A369 I371Y258-P362 HydrophobicContact CE1-CG 4.23Å; Y258-P362 VanDerWaalsContact CE2-CD 3.47Å; Y258-P362 HydrophobicContact CE2-CG 4.04Å; P362-P364 VanDerWaalsContact O-CD 3.29Å; P362-P364 WeakPolarHBondContact O-CD 3.43Å; P362-P364 VanDerWaalsContact O-N 3.1Å; P362-A369 HydrophobicContact CB-CB 3.83Å; P362-A369 WeakPolarHBondContact CB-O 3.3Å; P362-I371 HydrophobicContact CG-CG1 3.93Å
363N84.9Confident87.2Confident87 Ų8756.3 Ų56.347%0.46532%0.316SS..  trans-59.2114.9177.2-179.9-0.7000110.2N365 D366 A369N363-N365 PolarHBondContact O-N 2.92Å; N363-N365 VanDerWaalsContact O-N 3.14Å; N363-N365 PolarHBondContact OD1-N 2.72Å; N363-D366 HydrophobicContact CB-CB 4.26Å; N363-D366 PolarHBondContact O-N 2.92Å; N363-D366 VanDerWaalsContact O-N 3.12Å; N363-A369 HydrophobicContact CB-CB 4.15Å
364P84.2Confident85.6Confident121 Ų12161.6 Ų61.679%0.78634%0.341SS*.THydrogen-bonded Turntrans-67.7-16.5-175.228.3-36.1000113.5P362P362-P364 VanDerWaalsContact O-CD 3.29Å; P362-P364 WeakPolarHBondContact O-CD 3.43Å; P362-P364 VanDerWaalsContact O-N 3.1Å
365N87.2Confident84.1Confident148 Ų14861.8 Ų61.879%0.79135%0.352SS*.THydrogen-bonded Turntrans-91.42.7179-61-38000113.1N363N363-N365 PolarHBondContact O-N 2.92Å; N363-N365 VanDerWaalsContact O-N 3.14Å; N363-N365 PolarHBondContact OD1-N 2.72Å
366D88.1Confident82.9Confident48 Ų4864.5 Ų64.526%0.25737%0.366SS..SBendtrans-121.8109.5177.7179.6-11.7000109.6N147 N363 F368 A369N147-D366 WeakPolarHBondContact CB-OD2 3.37Å; N147-D366 PolarHBondContact ND2-OD2 2.86Å; N363-D366 HydrophobicContact CB-CB 4.26Å; N363-D366 PolarHBondContact O-N 2.92Å; N363-D366 VanDerWaalsContact O-N 3.12Å; D366-F368 PolarHBondContact O-N 2.82Å; D366-F368 PolarHBondContact OD1-N 2.76Å; D366-A369 HydrophobicContact CB-CB 3.9Å; D366-A369 WeakPolarHBondContact O-CB 3.33Å; D366-A369 PolarHBondContact O-N 2.98Å
367P78.7Confident81.7Confident112 Ų11267.3 Ų67.373%0.72738%0.378SS*.THydrogen-bonded Turntrans-63.8-16.5-168.524.3-33.7000114.7
368F87.7Confident80.7Confident99 Ų9973.7 Ų73.743%0.43440%0.401SS..THydrogen-bonded Turntrans-119.816.1178.2-56.5-63.6000112.9T145 A146 N147 D366 K370T145-F368 HydrophobicContact CG2-CB 4.24Å; T145-F368 HydrophobicContact CG2-CD1 3.63Å; T145-F368 HydrophobicContact CG2-CD2 3.98Å; T145-F368 HydrophobicContact CG2-CE1 3.89Å; T145-F368 HydrophobicContact CG2-CE2 4.21Å; T145-F368 HydrophobicContact CG2-CG 3.68Å; T145-F368 HydrophobicContact CG2-CZ 4.16Å; A146-F368 WeakPolarHBondContact CA-O 3.34Å; N147-F368 HydrophobicContact CB-CB 4.36Å; N147-F368 PolarHBondContact N-O 3.19Å; D366-F368 PolarHBondContact O-N 2.82Å; D366-F368 PolarHBondContact OD1-N 2.76Å; F368-K370 PolarHBondContact O-N 2.89Å
369A88.9Confident79.9Confident14 Ų1478.6 Ų78.612%0.11643%0.425CS..PPolyproline II helixtrans-61.6131.6173.400000110.9P362 N363 D366P362-A369 HydrophobicContact CB-CB 3.83Å; P362-A369 WeakPolarHBondContact CB-O 3.3Å; N363-A369 HydrophobicContact CB-CB 4.15Å; D366-A369 HydrophobicContact CB-CB 3.9Å; D366-A369 WeakPolarHBondContact O-CB 3.33Å; D366-A369 PolarHBondContact O-N 2.98Å
370K89.1Confident79.1Confident29 Ų2978.9 Ų78.913%0.12644%0.44CS..PPolyproline II helixtrans-102172.3167.3-53-55.1178.2-173.70109.1T145 A146 Q150 W247 F368 D372T145-K370 WeakPolarHBondContact O-CE 3.25Å; T145-K370 PolarHBondContact O-NZ 3.02Å; A146-K370 HydrophobicContact CB-CG 3.9Å; Q150-K370 PolarHBondContact NE2-O 3.23Å; W247-K370 HydrophobicContact CE3-CD 4.46Å; F368-K370 PolarHBondContact O-N 2.89Å; K370-D372 PolarHBondContact O-N 3.07Å
371I84.6Confident78.7Confident11 Ų1184.9 Ų84.96%0.05646%0.462CS..PPolyproline II helixtrans-64.6130.8172.8-73.9-175.3000109.5Y258 P362 S373Y258-I371 VanDerWaalsContact CB-CD1 3.43Å; Y258-I371 HydrophobicContact CD1-CD1 3.22Å; Y258-I371 HydrophobicContact CD1-CG1 3.91Å; Y258-I371 HydrophobicContact CD2-CD1 4.36Å; Y258-I371 HydrophobicContact CE1-CD1 3.98Å; Y258-I371 HydrophobicContact CE1-CG1 4.18Å; Y258-I371 HydrophobicContact CG-CD1 3.43Å; Y258-I371 VanDerWaalsContact CG-CD1 3.43Å; Y258-I371 HydrophobicContact CG-CG1 4.24Å; P362-I371 HydrophobicContact CG-CG1 3.93Å; I371-S373 PolarHBondContact O-N 3.34Å
372D74.5Confident78.3Confident81 Ų8182.5 Ų82.543%0.43345%0.449SS..PPolyproline II helixtrans-68.5128.2170.7-74.3-37.3000110.3Q150 K370 E374Q150-D372 PolarHBondContact NE2-OD1 3.22Å; K370-D372 PolarHBondContact O-N 3.07Å; D372-E374 HydrophobicContact CB-CG 4.04Å; D372-E374 PolarHBondContact O-N 3.34Å
373S64.6Low77.9Confident57 Ų5782.6 Ų82.640%0.39945%0.45SS..  trans-88.250.4171.2-67.30000110.5I371I371-S373 PolarHBondContact O-N 3.34Å
374E65.3Low77.5Confident114 Ų11482.2 Ų82.253%0.53345%0.452SS..  trans-60151.6178.6-68.5-150.1152.300111.4D372 R378D372-E374 HydrophobicContact CB-CG 4.04Å; D372-E374 PolarHBondContact O-N 3.34Å; E374-R378 IonicContact OE1-NH2 2.69Å; E374-R378 PolarHBondContact OE1-NH2 3.03Å; E374-R378 IonicContact OE2-NH2 2.97Å; E374-R378 PolarHBondContact OE2-NH2 3.41Å
375T66.8Low77.5Confident92 Ų9277.8 Ų77.856%0.56442%0.424SS*.  trans-66.5137.7174.752.50000109.8F377 T383T375-F377 WeakPolarHBondContact CB-O 3.33Å; T375-F377 PolarHBondContact O-N 3.03Å; T375-F377 VanDerWaalsContact O-N 3.1Å; T375-F377 PolarHBondContact OG1-O 2.88Å; T375-T383 PolarHBondContact O-OG1 3.06Å
376L71.8Confident77.7Confident56 Ų5671 Ų7129%0.29339%0.387SS..SBendtrans-59.2-21.8174.4-72.3170.6000112.1L382 T383L376-L382 HydrophobicContact CB-CD1 4.49Å; L376-L382 WeakPolarHBondContact O-CA 3.3Å; L376-L382 WeakPolarHBondContact O-CD1 3.35Å; L376-T383 PolarHBondContact O-N 3.28Å; L376-T383 PolarHBondContact O-OG1 2.89Å; L376-T383 VanDerWaalsContact O-OG1 3.09Å
377F73.9Confident78.1Confident104 Ų10468.7 Ų68.746%0.45638%0.375SS..EExtended strand (participates in β ladder)trans-122139176.8-59-86.5000111.1T375 K381 I420T375-F377 WeakPolarHBondContact CB-O 3.33Å; T375-F377 PolarHBondContact O-N 3.03Å; T375-F377 VanDerWaalsContact O-N 3.1Å; T375-F377 PolarHBondContact OG1-O 2.88Å; F377-K381 VanDerWaalsContact CA-O 3.25Å; F377-K381 WeakPolarHBondContact CA-O 3.37Å; F377-I420 HydrophobicContact CE1-CD1 3.73Å; F377-I420 HydrophobicContact CE2-CD1 4.32Å; F377-I420 HydrophobicContact CZ-CD1 3.29Å
378R73.9Confident78.9Confident137 Ų13763.8 Ų63.852%0.51734%0.343SS..EExtended strand (participates in β ladder)trans-132.5126164.6-167.6178.7-67.3-171.45.7106.8E374 G380 K381 T383E374-R378 IonicContact OE1-NH2 2.69Å; E374-R378 PolarHBondContact OE1-NH2 3.03Å; E374-R378 IonicContact OE2-NH2 2.97Å; E374-R378 PolarHBondContact OE2-NH2 3.41Å; R378-G380 VanDerWaalsContact C-N 3.27Å; R378-G380 PolarHBondContact O-N 2.87Å; R378-K381 PolarHBondContact N-O 3.49Å; R378-K381 PolarHBondContact O-N 2.84Å; R378-T383 HydrophobicContact CB-CG2 3.69Å
379D75.3Confident79.4Confident155 Ų15559 Ų5983%0.82932%0.322SS*.THydrogen-bonded Turntrans53.241.4-179.3-48.9-41.6000113.9K381D379-K381 PolarHBondContact O-N 2.9Å
380G69.5Low79.8Confident74 Ų7458.4 Ų58.476%0.76332%0.316SS*.THydrogen-bonded Turntrans72.63.9179.200000115.3R378R378-G380 VanDerWaalsContact C-N 3.27Å; R378-G380 PolarHBondContact O-N 2.87Å
381K73.3Confident80.1Confident161 Ų16157.3 Ų57.370%0.731%0.312SS*.EExtended strand (participates in β ladder)trans-109.4145.5176.5-67.7179.2-178.7173.90111F377 R378 D379 T383F377-K381 VanDerWaalsContact CA-O 3.25Å; F377-K381 WeakPolarHBondContact CA-O 3.37Å; R378-K381 PolarHBondContact N-O 3.49Å; R378-K381 PolarHBondContact O-N 2.84Å; D379-K381 PolarHBondContact O-N 2.9Å; K381-T383 PolarHBondContact O-N 3.05Å
382L76.8Confident80.8Confident13 Ų1359.9 Ų59.97%0.06833%0.326CS..EExtended strand (participates in β ladder)trans-62.8123.6171.5-17472.9000108.6L376 N403 I405 I420L376-L382 HydrophobicContact CB-CD1 4.49Å; L376-L382 WeakPolarHBondContact O-CA 3.3Å; L376-L382 WeakPolarHBondContact O-CD1 3.35Å; L382-N403 VanDerWaalsContact CD2-O 3.31Å; L382-N403 WeakPolarHBondContact CD2-O 3.37Å; L382-I405 HydrophobicContact CD1-CD1 3.94Å; L382-I405 HydrophobicContact CD1-CG1 4.5Å; L382-I405 HydrophobicContact CD2-CG1 4.27Å; L382-I420 HydrophobicContact CD1-CD1 4.19Å; L382-I420 HydrophobicContact CD1-CG1 4.11Å; L382-I420 HydrophobicContact CD2-CG1 4.27Å
383T77.3Confident81.9Confident21 Ų2156 Ų5613%0.12931%0.306CS..PPolyproline II helixtrans-66.2136.217345.50000108.9T375 L376 R378 K381 S385T375-T383 PolarHBondContact O-OG1 3.06Å; L376-T383 PolarHBondContact O-N 3.28Å; L376-T383 PolarHBondContact O-OG1 2.89Å; L376-T383 VanDerWaalsContact O-OG1 3.09Å; R378-T383 HydrophobicContact CB-CG2 3.69Å; K381-T383 PolarHBondContact O-N 3.05Å; T383-S385 PolarHBondContact O-N 2.9Å
384P76Confident83.5Confident80 Ų8055.8 Ų55.852%0.51930%0.302SS..SBendtrans-50.5117.2173.9-29.937.3000110.7
385S84.7Confident85.1Confident27 Ų2750.4 Ų50.419%0.18928%0.277CS..  trans-143.6-171.9-178-163.50000109.2T358 T383 N403T358-S385 PolarHBondContact N-O 3.2Å; T358-S385 CarbonylContact O-C 3.6Å; T383-S385 PolarHBondContact O-N 2.9Å; S385-N403 WeakPolarHBondContact O-CA 3.46Å; S385-N403 PolarHBondContact O-OD1 2.87Å
386I91.9Very high86.6Confident5 Ų547.7 Ų47.73%0.02626%0.261CS..  trans-57.7153.717363.7148.6000110.6A253 I257 N340 I342 T358 I388A253-I386 HydrophobicContact CB-CD1 3.78Å; I257-I386 HydrophobicContact CD1-CB 4.17Å; I257-I386 HydrophobicContact CD1-CD1 3.92Å; I257-I386 HydrophobicContact CD1-CG2 3.89Å; I257-I386 HydrophobicContact CG1-CD1 4.47Å; N340-I386 WeakPolarHBondContact O-CA 3.37Å; N340-I386 VanDerWaalsContact O-CB 3.29Å; N340-I386 WeakPolarHBondContact O-CB 3.48Å; I342-I386 HydrophobicContact CD1-CD1 4.06Å; I342-I386 HydrophobicContact CG1-CD1 4.07Å; T358-I386 PolarHBondContact O-N 2.73Å; I386-I388 HydrophobicContact CD1-CD1 4.12Å; I386-I388 HydrophobicContact CD1-CG1 3.68Å; I386-I388 HydrophobicContact CG1-CD1 4.3Å; I386-I388 HydrophobicContact CG1-CG1 4Å
387T96.1Very high87.9Confident0 Ų047.6 Ų47.60%027%0.265CS..EExtended strand (participates in β ladder)trans-88.6134.3170.7-74.50000109.8N340 S341 I342 V355 E356 L389 I401 N403 S404N340-T387 PolarHBondContact O-N 3.12Å; S341-T387 CarbonylContact C-O 3.55Å; S341-T387 WeakPolarHBondContact CA-O 3.42Å; S341-T387 WeakPolarHBondContact CB-O 3.27Å; I342-T387 PolarHBondContact N-O 3.14Å; V355-T387 HydrophobicContact CG1-CG2 3.47Å; V355-T387 VanDerWaalsContact CG1-CG2 3.47Å; E356-T387 WeakPolarHBondContact O-CB 3.18Å; E356-T387 PolarHBondContact O-OG1 3.06Å; T387-L389 HydrophobicContact CG2-CD2 4.21Å; T387-I401 HydrophobicContact CG2-CG2 3.89Å; T387-N403 WeakPolarHBondContact OG1-CA 3.38Å; T387-N403 PolarHBondContact OG1-N 2.71Å; T387-S404 CarbonylContact C-O 3.43Å; T387-S404 WeakPolarHBondContact CA-O 3.21Å; T387-S404 WeakPolarHBondContact CG2-O 3.4Å; T387-S404 PolarHBondContact OG1-N 2.81Å; T387-S404 VanDerWaalsContact OG1-N 3.1Å
388I95.9Very high89Confident9 Ų950.1 Ų50.15%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-126.1123.1-177.2-52.3165.7000108.1P19 L20 A253 I386 S404 I405 V406P19-I388 HydrophobicContact CG-CG2 4.11Å; L20-I388 HydrophobicContact CD1-CG2 4.07Å; L20-I388 HydrophobicContact CD2-CG2 3.88Å; L20-I388 HydrophobicContact CG-CG2 3.85Å; A253-I388 HydrophobicContact CB-CD1 3.36Å; A253-I388 HydrophobicContact CB-CG1 4Å; I386-I388 HydrophobicContact CD1-CD1 4.12Å; I386-I388 HydrophobicContact CD1-CG1 3.68Å; I386-I388 HydrophobicContact CG1-CD1 4.3Å; I386-I388 HydrophobicContact CG1-CG1 4Å; I388-S404 PolarHBondContact N-O 3.01Å; I388-I405 HydrophobicContact CB-CG2 4.45Å; I388-I405 HydrophobicContact CD1-CD1 4.28Å; I388-I405 HydrophobicContact CD1-CG1 4.15Å; I388-I405 CarbonylContact O-C 3.57Å; I388-I405 WeakPolarHBondContact O-CA 3.35Å; I388-V406 PolarHBondContact O-N 3.3Å
389L97.5Very high90.2Very high0 Ų044.6 Ų44.60%026%0.26CS..EExtended strand (participates in β ladder)trans-102.2128.7168.4-49.9-176.2000108.2I342 V343 G344 I349 V355 T387 V393 I395 V406I342-L389 PolarHBondContact O-N 3.27Å; V343-L389 HydrophobicContact CG1-CD1 4.33Å; V343-L389 HydrophobicContact CG2-CD1 4.45Å; G344-L389 WeakPolarHBondContact CA-O 3.23Å; G344-L389 PolarHBondContact N-O 2.87Å; I349-L389 HydrophobicContact CD1-CD1 4.23Å; I349-L389 HydrophobicContact CG1-CD1 4.25Å; V355-L389 HydrophobicContact CG1-CD1 4.34Å; T387-L389 HydrophobicContact CG2-CD2 4.21Å; L389-V393 HydrophobicContact CB-CB 4.34Å; L389-V393 HydrophobicContact CB-CG1 4.42Å; L389-V393 HydrophobicContact CD2-CG1 4.37Å; L389-I395 HydrophobicContact CD1-CD1 4.37Å; L389-I395 HydrophobicContact CD1-CG1 3.96Å; L389-I395 HydrophobicContact CD2-CD1 4.17Å; L389-V406 HydrophobicContact CD2-CB 3.92Å; L389-V406 HydrophobicContact CD2-CG2 3.54Å
390G96.4Very high91.3Very high0 Ų041.8 Ų41.80%024%0.243CC..  trans-68.5-176.8169.200000111.9G344 S347 V393 V406G344-G390 WeakPolarHBondContact CA-O 3.14Å; S347-G390 PolarHBondContact OG-O 2.85Å; G390-V393 WeakPolarHBondContact O-CG2 3.33Å; G390-V406 PolarHBondContact N-O 3Å
391C96.9Very high92.6Very high6 Ų638.2 Ų38.24%0.04121%0.207CC..THydrogen-bonded Turntrans-70.3151.5177.263.60000112E23 W345 V393 P408 H409E23-C391 PolarHBondContact OE2-SG 2.81Å; W345-C391 HydrophobicContact CB-CB 3.92Å; W345-C391 HydrophobicContact CE3-CB 4.36Å; W345-C391 CarbonylContact O-C 3.48Å; W345-C391 WeakPolarHBondContact O-CA 3.11Å; C391-V393 VanDerWaalsContact C-N 3.31Å; C391-V393 PolarHBondContact O-N 2.63Å; C391-P408 CarbonylContact O-C 3.54Å; C391-P408 WeakPolarHBondContact O-CA 3.47Å; C391-H409 PolarHBondContact O-N 3.1Å
392N98Very high93.7Very high65 Ų6532.4 Ų32.435%0.34818%0.183SC..THydrogen-bonded Turntrans53.642.9177.3-60.7-73.5000113.6W345 D346 S347 H409 K410W345-N392 PolarHBondContact O-N 3Å; D346-N392 WeakPolarHBondContact CB-OD1 3.4Å; S347-N392 PolarHBondContact OG-N 2.82Å; N392-H409 WeakPolarHBondContact CB-ND1 3.37Å; N392-H409 PolarHBondContact ND2-CE1 3.04Å; N392-H409 VanDerWaalsContact ND2-CE1 3.31Å; N392-H409 VanDerWaalsContact O-CA 3.25Å; N392-H409 WeakPolarHBondContact O-CA 3.22Å; N392-H409 PolarHBondContact O-N 2.88Å; N392-K410 PolarHBondContact O-N 2.92Å
393V98.4Very high94.6Very high0 Ų032.2 Ų32.20%018%0.182CC..  trans-96131.9175.1171.90000110.1S347 T348 L389 G390 C391 I395 V406 L407 K410S347-V393 CarbonylContact C-O 3.45Å; S347-V393 WeakPolarHBondContact CA-O 3.4Å; S347-V393 VanDerWaalsContact CB-O 3.26Å; S347-V393 WeakPolarHBondContact CB-O 3.26Å; S347-V393 PolarHBondContact OG-N 2.88Å; S347-V393 VanDerWaalsContact OG-N 3.09Å; T348-V393 PolarHBondContact N-O 3.12Å; L389-V393 HydrophobicContact CB-CB 4.34Å; L389-V393 HydrophobicContact CB-CG1 4.42Å; L389-V393 HydrophobicContact CD2-CG1 4.37Å; G390-V393 WeakPolarHBondContact O-CG2 3.33Å; C391-V393 VanDerWaalsContact C-N 3.31Å; C391-V393 PolarHBondContact O-N 2.63Å; V393-I395 HydrophobicContact CG1-CD1 3.67Å; V393-I395 HydrophobicContact CG1-CG1 4.33Å; V393-V406 HydrophobicContact CB-CG1 4.43Å; V393-V406 HydrophobicContact CG1-CB 4.28Å; V393-V406 HydrophobicContact CG1-CG1 3.66Å; V393-V406 HydrophobicContact CG2-CB 4.38Å; V393-V406 HydrophobicContact CG2-CG1 3.82Å; V393-L407 VanDerWaalsContact CG2-O 3.31Å; V393-L407 WeakPolarHBondContact CG2-O 3.29Å; V393-K410 CarbonylContact C-O 3.37Å; V393-K410 WeakPolarHBondContact CA-O 3.26Å; V393-K410 HydrophobicContact CG2-CB 4.46Å
394T98.6Very high95.4Very high53 Ų5331.2 Ų31.233%0.32518%0.176SC..EExtended strand (participates in β ladder)trans-108.2118.1174-490000110.3K410 D411 L412T394-K410 PolarHBondContact N-O 2.87Å; T394-D411 WeakPolarHBondContact CB-OD1 3.28Å; T394-D411 PolarHBondContact OG1-OD1 2.76Å; T394-L412 PolarHBondContact O-N 2.73Å
395I98.4Very high96.3Very high1 Ų128 Ų281%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-99.1126.3170.6-50.3-55.8000108.1T348 I349 G350 A353 L389 V393 V399 I401 L412T348-I395 PolarHBondContact O-N 3.33Å; I349-I395 HydrophobicContact CG1-CG1 4.34Å; G350-I395 WeakPolarHBondContact CA-O 3.29Å; G350-I395 PolarHBondContact N-O 2.87Å; A353-I395 HydrophobicContact CB-CG2 4.29Å; L389-I395 HydrophobicContact CD1-CD1 4.37Å; L389-I395 HydrophobicContact CD1-CG1 3.96Å; L389-I395 HydrophobicContact CD2-CD1 4.17Å; V393-I395 HydrophobicContact CG1-CD1 3.67Å; V393-I395 HydrophobicContact CG1-CG1 4.33Å; I395-V399 HydrophobicContact CG2-CG2 3.5Å; I395-V399 VanDerWaalsContact CG2-CG2 3.5Å; I395-I401 HydrophobicContact CD1-CD1 4.39Å; I395-I401 HydrophobicContact CD1-CG1 4.03Å; I395-I401 HydrophobicContact CG1-CG1 4.49Å; I395-I401 HydrophobicContact CG2-CD1 4.41Å; I395-I401 HydrophobicContact CG2-CG1 3.84Å; I395-L412 HydrophobicContact CD1-CB 4.47Å; I395-L412 HydrophobicContact CD1-CD1 3.43Å; I395-L412 VanDerWaalsContact CD1-CD1 3.43Å; I395-L412 HydrophobicContact CD1-CG 3.92Å
396P98Very high96.9Very high35 Ų3526.8 Ų26.823%0.22715%0.146CC..PPolyproline II helixtrans-70170.2-179.729.7-34.1000111.2V399 L412P396-V399 HydrophobicContact CG-CB 4.4Å; P396-V399 HydrophobicContact CG-CG1 3.76Å; P396-V399 HydrophobicContact CG-CG2 3.77Å; P396-V399 WeakPolarHBondContact O-CG2 3.44Å; P396-L412 VanDerWaalsContact CD-O 3.22Å; P396-L412 WeakPolarHBondContact CD-O 3.2Å; P396-L412 WeakPolarHBondContact CG-O 3.31Å
397S98.4Very high97Very high54 Ų5428.4 Ų28.438%0.37815%0.154SC..THydrogen-bonded Turntrans-68.7155.3174.6-60.20000111K351 V399K351-S397 PolarHBondContact N-OG 3.39Å; K351-S397 CarbonylContact O-C 3.56Å; K351-S397 WeakPolarHBondContact O-CA 3.5Å; K351-S397 WeakPolarHBondContact O-CB 3.46Å; S397-V399 VanDerWaalsContact C-N 3.25Å; S397-V399 PolarHBondContact O-N 2.91Å
398E97.9Very high97.1Very high157 Ų15729.6 Ų29.673%0.73416%0.162SC*.THydrogen-bonded Turntrans60.526169.9-57177-179.200115.4K351 W352K351-E398 PolarHBondContact O-N 2.8Å; W352-E398 HydrophobicContact CB-CG 4.02Å
399V98.1Very high97.1Very high21 Ų2135.3 Ų35.313%0.12719%0.188CC..  trans-114.6162.6174.6-57.80000113.1A353 R354 I395 P396 S397 I401A353-V399 CarbonylContact C-O 3.47Å; A353-V399 VanDerWaalsContact CA-O 3.3Å; A353-V399 WeakPolarHBondContact CA-O 3.19Å; R354-V399 PolarHBondContact N-O 2.8Å; I395-V399 HydrophobicContact CG2-CG2 3.5Å; I395-V399 VanDerWaalsContact CG2-CG2 3.5Å; P396-V399 HydrophobicContact CG-CB 4.4Å; P396-V399 HydrophobicContact CG-CG1 3.76Å; P396-V399 HydrophobicContact CG-CG2 3.77Å; P396-V399 WeakPolarHBondContact O-CG2 3.44Å; S397-V399 VanDerWaalsContact C-N 3.25Å; S397-V399 PolarHBondContact O-N 2.91Å; V399-I401 HydrophobicContact CG2-CD1 4.47Å
400I98.2Very high97.1Very high95 Ų9538 Ų3849%0.48720%0.2SC..EExtended strand (participates in β ladder)trans-115.6125.9175-54.7179.6000109.3R354 L402 G415 F416R354-I400 HydrophobicContact CB-CG1 4.25Å; R354-I400 HydrophobicContact CB-CG2 4.44Å; R354-I400 CarbonylContact O-C 3.43Å; R354-I400 WeakPolarHBondContact O-CA 3.4Å; I400-L402 HydrophobicContact CG2-CB 4.34Å; I400-G415 CarbonylContact O-C 3.49Å; I400-G415 WeakPolarHBondContact O-CA 3.1Å; I400-F416 PolarHBondContact O-N 2.97Å
401I98.1Very high97.2Very high0 Ų044.1 Ų44.10%023%0.233CC..EExtended strand (participates in β ladder)trans-112.6113.1169.4-51.2-60.3000107.6R354 V355 E356 T387 I395 V399 L412 F416R354-I401 PolarHBondContact O-N 3.12Å; V355-I401 WeakPolarHBondContact CA-O 3.3Å; V355-I401 HydrophobicContact CG2-CB 4.41Å; E356-I401 PolarHBondContact N-O 3.36Å; T387-I401 HydrophobicContact CG2-CG2 3.89Å; I395-I401 HydrophobicContact CD1-CD1 4.39Å; I395-I401 HydrophobicContact CD1-CG1 4.03Å; I395-I401 HydrophobicContact CG1-CG1 4.49Å; I395-I401 HydrophobicContact CG2-CD1 4.41Å; I395-I401 HydrophobicContact CG2-CG1 3.84Å; V399-I401 HydrophobicContact CG2-CD1 4.47Å; I401-L412 HydrophobicContact CD1-CD1 3.69Å; I401-F416 WeakPolarHBondContact CA-O 3.44Å; I401-F416 HydrophobicContact CD1-CB 4.24Å; I401-F416 HydrophobicContact CD1-CD2 3.95Å
402L96.9Very high97.2Very high38 Ų3844.6 Ų44.620%0.19924%0.235CC..EExtended strand (participates in β ladder)trans-123.2128.2-173.1-178.162.3000111.5E356 I400 S404 F416 K417 N418E356-L402 HydrophobicContact CB-CD1 3.97Å; E356-L402 HydrophobicContact CG-CD1 3.88Å; E356-L402 CarbonylContact O-C 3.56Å; E356-L402 VanDerWaalsContact O-CA 3.26Å; E356-L402 WeakPolarHBondContact O-CA 3.26Å; E356-L402 WeakPolarHBondContact O-CD1 3.21Å; I400-L402 HydrophobicContact CG2-CB 4.34Å; L402-S404 VanDerWaalsContact C-N 3.25Å; L402-S404 PolarHBondContact O-N 2.94Å; L402-S404 VanDerWaalsContact O-N 3.16Å; L402-S404 PolarHBondContact O-OG 3.02Å; L402-F416 PolarHBondContact N-O 3.36Å; L402-K417 HydrophobicContact CB-CB 4.37Å; L402-K417 HydrophobicContact CB-CG 4.14Å; L402-K417 HydrophobicContact CD2-CD 3.86Å; L402-K417 HydrophobicContact CD2-CG 4.02Å; L402-K417 HydrophobicContact CG-CG 4.25Å; L402-K417 CarbonylContact O-C 3.56Å; L402-K417 VanDerWaalsContact O-CA 3.24Å; L402-K417 WeakPolarHBondContact O-CA 3.33Å; L402-N418 PolarHBondContact O-N 3.16Å
403N94.8Very high97Very high9 Ų948 Ų485%0.04825%0.253CS..SBendtrans43.648.6177-56.2-27.3000113.1E356 G357 T358 L382 S385 T387 N418E356-N403 PolarHBondContact O-N 2.9Å; G357-N403 VanDerWaalsContact C-OD1 3.25Å; G357-N403 WeakPolarHBondContact CA-OD1 3.45Å; T358-N403 PolarHBondContact N-OD1 2.83Å; T358-N403 VanDerWaalsContact OG1-CG 3.23Å; T358-N403 PolarHBondContact OG1-ND2 3.1Å; T358-N403 VanDerWaalsContact OG1-ND2 3.12Å; T358-N403 PolarHBondContact OG1-OD1 3.09Å; L382-N403 VanDerWaalsContact CD2-O 3.31Å; L382-N403 WeakPolarHBondContact CD2-O 3.37Å; S385-N403 WeakPolarHBondContact O-CA 3.46Å; S385-N403 PolarHBondContact O-OD1 2.87Å; T387-N403 WeakPolarHBondContact OG1-CA 3.38Å; T387-N403 PolarHBondContact OG1-N 2.71Å; N403-N418 WeakPolarHBondContact CB-OD1 3.32Å; N403-N418 PolarHBondContact ND2-OD1 2.69Å; N403-N418 VanDerWaalsContact ND2-OD1 3.14Å; N403-N418 VanDerWaalsContact O-CA 3.28Å; N403-N418 WeakPolarHBondContact O-CA 3.45Å
404S94.8Very high96.9Very high0 Ų055.6 Ų55.60%028%0.282CS..  trans-125.4151-171.4-63.90000111.7T387 I388 L402 N418 Q419T387-S404 CarbonylContact C-O 3.43Å; T387-S404 WeakPolarHBondContact CA-O 3.21Å; T387-S404 WeakPolarHBondContact CG2-O 3.4Å; T387-S404 PolarHBondContact OG1-N 2.81Å; T387-S404 VanDerWaalsContact OG1-N 3.1Å; I388-S404 PolarHBondContact N-O 3.01Å; L402-S404 VanDerWaalsContact C-N 3.25Å; L402-S404 PolarHBondContact O-N 2.94Å; L402-S404 VanDerWaalsContact O-N 3.16Å; L402-S404 PolarHBondContact O-OG 3.02Å; S404-N418 PolarHBondContact OG-N 3.23Å; S404-Q419 CarbonylContact C-O 3.55Å; S404-Q419 WeakPolarHBondContact CA-O 3.26Å; S404-Q419 VanDerWaalsContact CB-O 3.26Å; S404-Q419 WeakPolarHBondContact CB-O 3.22Å; S404-Q419 PolarHBondContact OG-N 3.06Å
405I94.5Very high96.9Very high14 Ų1454.8 Ų54.87%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-111113.2174.6-55.6179.8000107.3P19 L382 I388 Q419 I420 I421P19-I405 HydrophobicContact CG-CG2 4.21Å; L382-I405 HydrophobicContact CD1-CD1 3.94Å; L382-I405 HydrophobicContact CD1-CG1 4.5Å; L382-I405 HydrophobicContact CD2-CG1 4.27Å; I388-I405 HydrophobicContact CB-CG2 4.45Å; I388-I405 HydrophobicContact CD1-CD1 4.28Å; I388-I405 HydrophobicContact CD1-CG1 4.15Å; I388-I405 CarbonylContact O-C 3.57Å; I388-I405 WeakPolarHBondContact O-CA 3.35Å; I405-Q419 PolarHBondContact N-O 3.29Å; I405-I420 HydrophobicContact CB-CG1 4.27Å; I405-I420 HydrophobicContact CB-CG2 4.47Å; I405-I420 CarbonylContact O-C 3.46Å; I405-I420 VanDerWaalsContact O-CA 3.3Å; I405-I420 WeakPolarHBondContact O-CA 3.05Å; I405-I421 PolarHBondContact O-N 3Å
406V96.1Very high96.8Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-101.4119.4178.2-171.50000108.3I388 L389 G390 V393 K410 L412 I421I388-V406 PolarHBondContact O-N 3.3Å; L389-V406 HydrophobicContact CD2-CB 3.92Å; L389-V406 HydrophobicContact CD2-CG2 3.54Å; G390-V406 PolarHBondContact N-O 3Å; V393-V406 HydrophobicContact CB-CG1 4.43Å; V393-V406 HydrophobicContact CG1-CB 4.28Å; V393-V406 HydrophobicContact CG1-CG1 3.66Å; V393-V406 HydrophobicContact CG2-CB 4.38Å; V393-V406 HydrophobicContact CG2-CG1 3.82Å; V406-K410 HydrophobicContact CG1-CB 3.75Å; V406-K410 HydrophobicContact CG1-CG 3.99Å; V406-L412 HydrophobicContact CG1-CD1 4.45Å; V406-L412 HydrophobicContact CG1-CD2 4.3Å; V406-L412 HydrophobicContact CG2-CD1 4.18Å; V406-I421 HydrophobicContact CB-CB 4.5Å; V406-I421 HydrophobicContact CG1-CB 4.19Å; V406-I421 HydrophobicContact CG1-CG2 4.42Å; V406-I421 HydrophobicContact CG2-CB 4.42Å; V406-I421 HydrophobicContact CG2-CD1 3.89Å; V406-I421 HydrophobicContact CG2-CG1 4.31Å
407L95.6Very high96.6Very high39 Ų3960.1 Ų60.120%0.20430%0.304CS..PPolyproline II helixtrans-66.4163.9175.2-69.6-161.9000111.6P19 F22 V393 K410 I421 L422P19-L407 HydrophobicContact CB-CD2 3.9Å; P19-L407 HydrophobicContact CG-CD2 4.34Å; F22-L407 HydrophobicContact CE2-CD2 4.5Å; V393-L407 VanDerWaalsContact CG2-O 3.31Å; V393-L407 WeakPolarHBondContact CG2-O 3.29Å; L407-K410 WeakPolarHBondContact O-CG 3.21Å; L407-I421 WeakPolarHBondContact CB-O 3.22Å; L407-I421 WeakPolarHBondContact CG-O 3.2Å; L407-I421 PolarHBondContact N-O 3.2Å; L407-L422 HydrophobicContact CD1-CB 4.4Å; L407-L422 HydrophobicContact CD1-CD2 3.6Å; L407-L422 HydrophobicContact CG-CD2 4.23Å
408P96.8Very high96.4Very high25 Ų2560.3 Ų60.316%0.16230%0.3CS..SBendtrans-58.3156-179.7-29.139.4000114.7P19 F22 C391 K410P19-P408 HydrophobicContact CB-CG 4.17Å; F22-P408 HydrophobicContact CD2-CG 4.2Å; C391-P408 CarbonylContact O-C 3.54Å; C391-P408 WeakPolarHBondContact O-CA 3.47Å; P408-K410 PolarHBondContact O-N 3.23Å
409H97.1Very high96Very high129 Ų12957.1 Ų57.160%0.59729%0.285SS*.SBendtrans5944.6173-50.2-75.6000113.8C391 N392C391-H409 PolarHBondContact O-N 3.1Å; N392-H409 WeakPolarHBondContact CB-ND1 3.37Å; N392-H409 PolarHBondContact ND2-CE1 3.04Å; N392-H409 VanDerWaalsContact ND2-CE1 3.31Å; N392-H409 VanDerWaalsContact O-CA 3.25Å; N392-H409 WeakPolarHBondContact O-CA 3.22Å; N392-H409 PolarHBondContact O-N 2.88Å
410K97.5Very high95.7Very high58 Ų5859 Ų5925%0.25229%0.294SS..  trans-112.8125.8179.7-60.6-65.3159173.40111.5N392 V393 T394 V406 L407 P408 L412 L422N392-K410 PolarHBondContact O-N 2.92Å; V393-K410 CarbonylContact C-O 3.37Å; V393-K410 WeakPolarHBondContact CA-O 3.26Å; V393-K410 HydrophobicContact CG2-CB 4.46Å; T394-K410 PolarHBondContact N-O 2.87Å; V406-K410 HydrophobicContact CG1-CB 3.75Å; V406-K410 HydrophobicContact CG1-CG 3.99Å; L407-K410 WeakPolarHBondContact O-CG 3.21Å; P408-K410 PolarHBondContact O-N 3.23Å; K410-L412 HydrophobicContact CB-CD2 4.09Å; K410-L422 WeakPolarHBondContact CE-O 3.24Å; K410-L422 WeakPolarHBondContact CE-OXT 3.41Å; K410-L422 PolarHBondContact NZ-O 3.14Å; K410-L422 PolarHBondContact NZ-OXT 3.15Å
411D97.5Very high95.5Very high127 Ų12755.4 Ų55.468%0.67928%0.276SS*.BIsolated β-bridgetrans-99.1108.9166.5-60.5-59.6000109T394T394-D411 WeakPolarHBondContact CB-OD1 3.28Å; T394-D411 PolarHBondContact OG1-OD1 2.76Å
412L97.5Very high95Very high17 Ų1762.5 Ų62.59%0.08931%0.313CS..  trans-84149.3179.1-54.5-166000110.3T394 I395 P396 I401 V406 K410 F416 I421T394-L412 PolarHBondContact O-N 2.73Å; I395-L412 HydrophobicContact CD1-CB 4.47Å; I395-L412 HydrophobicContact CD1-CD1 3.43Å; I395-L412 VanDerWaalsContact CD1-CD1 3.43Å; I395-L412 HydrophobicContact CD1-CG 3.92Å; P396-L412 VanDerWaalsContact CD-O 3.22Å; P396-L412 WeakPolarHBondContact CD-O 3.2Å; P396-L412 WeakPolarHBondContact CG-O 3.31Å; I401-L412 HydrophobicContact CD1-CD1 3.69Å; V406-L412 HydrophobicContact CG1-CD1 4.45Å; V406-L412 HydrophobicContact CG1-CD2 4.3Å; V406-L412 HydrophobicContact CG2-CD1 4.18Å; K410-L412 HydrophobicContact CB-CD2 4.09Å; L412-F416 HydrophobicContact CB-CE2 4.17Å; L412-F416 HydrophobicContact CD1-CD2 3.77Å; L412-F416 HydrophobicContact CD1-CE2 3.91Å; L412-F416 HydrophobicContact CD2-CE2 4.05Å; L412-F416 HydrophobicContact CG-CE2 4.27Å; L412-I421 HydrophobicContact CD2-CG2 3.89Å
413N94.9Very high95Very high136 Ų13663.7 Ų63.773%0.72732%0.318SS*.  trans-119.1-1.117862.83.3000113.3
414R96.3Very high95Very high159 Ų15966.6 Ų66.660%0.633%0.333SS*.SBendtrans-158.1172.9-178.467-175.5-177.2-179.4-1.4111.3F416R414-F416 HydrophobicContact CG-CE2 3.84Å; R414-F416 HydrophobicContact CG-CZ 3.88Å; R414-F416 WeakPolarHBondContact O-CD2 3.47Å; R414-F416 VanDerWaalsContact O-CE2 3.22Å; R414-F416 WeakPolarHBondContact O-CE2 3.41Å
415G96.8Very high95Very high36 Ų3670.3 Ų70.337%0.37135%0.351SS..  trans-73153.217300000113.5I400I400-G415 CarbonylContact O-C 3.49Å; I400-G415 WeakPolarHBondContact O-CA 3.1Å
416F96.6Very high95Very high28 Ų2873.6 Ų73.612%0.12337%0.367CS..EExtended strand (participates in β ladder)trans-136.8149.1178.9-68.1-90.9000110.6I400 I401 L402 L412 R414 I421I400-F416 PolarHBondContact O-N 2.97Å; I401-F416 WeakPolarHBondContact CA-O 3.44Å; I401-F416 HydrophobicContact CD1-CB 4.24Å; I401-F416 HydrophobicContact CD1-CD2 3.95Å; L402-F416 PolarHBondContact N-O 3.36Å; L412-F416 HydrophobicContact CB-CE2 4.17Å; L412-F416 HydrophobicContact CD1-CD2 3.77Å; L412-F416 HydrophobicContact CD1-CE2 3.91Å; L412-F416 HydrophobicContact CD2-CE2 4.05Å; L412-F416 HydrophobicContact CG-CE2 4.27Å; R414-F416 HydrophobicContact CG-CE2 3.84Å; R414-F416 HydrophobicContact CG-CZ 3.88Å; R414-F416 WeakPolarHBondContact O-CD2 3.47Å; R414-F416 VanDerWaalsContact O-CE2 3.22Å; R414-F416 WeakPolarHBondContact O-CE2 3.41Å; F416-I421 HydrophobicContact CB-CD1 4.17Å; F416-I421 HydrophobicContact CD1-CD1 4.39Å; F416-I421 HydrophobicContact CD1-CG1 4.01Å; F416-I421 HydrophobicContact CD2-CG1 4.41Å; F416-I421 HydrophobicContact CE1-CG1 4.27Å; F416-I421 HydrophobicContact CG-CD1 4.23Å; F416-I421 HydrophobicContact CG-CG1 4.08Å
417K95.2Very high94.9Very high121 Ų12178.2 Ų78.253%0.52639%0.39SS..EExtended strand (participates in β ladder)trans-141.2132.6178.3-179.5177.2-179.7175.30110.7L402 Q419L402-K417 HydrophobicContact CB-CB 4.37Å; L402-K417 HydrophobicContact CB-CG 4.14Å; L402-K417 HydrophobicContact CD2-CD 3.86Å; L402-K417 HydrophobicContact CD2-CG 4.02Å; L402-K417 HydrophobicContact CG-CG 4.25Å; L402-K417 CarbonylContact O-C 3.56Å; L402-K417 VanDerWaalsContact O-CA 3.24Å; L402-K417 WeakPolarHBondContact O-CA 3.33Å; K417-Q419 VanDerWaalsContact C-N 3.26Å; K417-Q419 WeakPolarHBondContact O-CG 3.16Å; K417-Q419 PolarHBondContact O-N 3.17Å; K417-Q419 PolarHBondContact O-NE2 2.85Å; K417-Q419 VanDerWaalsContact O-NE2 3.15Å
418N92.4Very high94.9Very high58 Ų5880.8 Ų80.831%0.3140%0.403SS..SBendtrans51.842.4174.9-57.8-31.2000112.8L402 N403 S404L402-N418 PolarHBondContact O-N 3.16Å; N403-N418 WeakPolarHBondContact CB-OD1 3.32Å; N403-N418 PolarHBondContact ND2-OD1 2.69Å; N403-N418 VanDerWaalsContact ND2-OD1 3.14Å; N403-N418 VanDerWaalsContact O-CA 3.28Å; N403-N418 WeakPolarHBondContact O-CA 3.45Å; S404-N418 PolarHBondContact OG-N 3.23Å
419Q91.3Very high94.8Very high90 Ų9084.8 Ų84.842%0.42142%0.42SS..  trans-129.8152.7-173.6-81.9169.674.100112S404 I405 K417 I421S404-Q419 CarbonylContact C-O 3.55Å; S404-Q419 WeakPolarHBondContact CA-O 3.26Å; S404-Q419 VanDerWaalsContact CB-O 3.26Å; S404-Q419 WeakPolarHBondContact CB-O 3.22Å; S404-Q419 PolarHBondContact OG-N 3.06Å; I405-Q419 PolarHBondContact N-O 3.29Å; K417-Q419 VanDerWaalsContact C-N 3.26Å; K417-Q419 WeakPolarHBondContact O-CG 3.16Å; K417-Q419 PolarHBondContact O-N 3.17Å; K417-Q419 PolarHBondContact O-NE2 2.85Å; K417-Q419 VanDerWaalsContact O-NE2 3.15Å; Q419-I421 HydrophobicContact CB-CD1 4.14Å
420I91.3Very high94.6Very high59 Ų5981.4 Ų81.430%0.30341%0.406SS..EExtended strand (participates in β ladder)trans-99.8120.3162.3-55.8-173.9000107.1F377 L382 I405 L422F377-I420 HydrophobicContact CE1-CD1 3.73Å; F377-I420 HydrophobicContact CE2-CD1 4.32Å; F377-I420 HydrophobicContact CZ-CD1 3.29Å; L382-I420 HydrophobicContact CD1-CD1 4.19Å; L382-I420 HydrophobicContact CD1-CG1 4.11Å; L382-I420 HydrophobicContact CD2-CG1 4.27Å; I405-I420 HydrophobicContact CB-CG1 4.27Å; I405-I420 HydrophobicContact CB-CG2 4.47Å; I405-I420 CarbonylContact O-C 3.46Å; I405-I420 VanDerWaalsContact O-CA 3.3Å; I405-I420 WeakPolarHBondContact O-CA 3.05Å; I420-L422 HydrophobicContact CG2-CD2 3.81Å; I420-L422 HydrophobicContact CG2-CG 4.43Å
421I93.2Very high94.3Very high20 Ų2083.3 Ų83.310%0.10342%0.419CS..EExtended strand (participates in β ladder)trans-96.3106.6177.6-57.371.4000106.3I405 V406 L407 L412 F416 Q419I405-I421 PolarHBondContact O-N 3Å; V406-I421 HydrophobicContact CB-CB 4.5Å; V406-I421 HydrophobicContact CG1-CB 4.19Å; V406-I421 HydrophobicContact CG1-CG2 4.42Å; V406-I421 HydrophobicContact CG2-CB 4.42Å; V406-I421 HydrophobicContact CG2-CD1 3.89Å; V406-I421 HydrophobicContact CG2-CG1 4.31Å; L407-I421 WeakPolarHBondContact CB-O 3.22Å; L407-I421 WeakPolarHBondContact CG-O 3.2Å; L407-I421 PolarHBondContact N-O 3.2Å; L412-I421 HydrophobicContact CD2-CG2 3.89Å; F416-I421 HydrophobicContact CB-CD1 4.17Å; F416-I421 HydrophobicContact CD1-CD1 4.39Å; F416-I421 HydrophobicContact CD1-CG1 4.01Å; F416-I421 HydrophobicContact CD2-CG1 4.41Å; F416-I421 HydrophobicContact CE1-CG1 4.27Å; F416-I421 HydrophobicContact CG-CD1 4.23Å; F416-I421 HydrophobicContact CG-CG1 4.08Å; Q419-I421 HydrophobicContact CB-CD1 4.14Å
422L89.1Confident94Very high149 Ų14979.4 Ų79.478%0.7840%0.396SS*.  trans-81.30-176.7-64.6178.9000113L407 K410 I420L407-L422 HydrophobicContact CD1-CB 4.4Å; L407-L422 HydrophobicContact CD1-CD2 3.6Å; L407-L422 HydrophobicContact CG-CD2 4.23Å; K410-L422 WeakPolarHBondContact CE-O 3.24Å; K410-L422 WeakPolarHBondContact CE-OXT 3.41Å; K410-L422 PolarHBondContact NZ-O 3.14Å; K410-L422 PolarHBondContact NZ-OXT 3.15Å; I420-L422 HydrophobicContact CG2-CD2 3.81Å; I420-L422 HydrophobicContact CG2-CG 4.43Å

Retrieved 422 of 422 residues in 389.2 ms (Link to these results)

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