A0A096NSW7_PAPAN Loading...

inositol-polyphosphate 5-phosphatase

AlphaFold DB (A0A2K6M817), UniProt , Accession A0A096NSW7, Species PAPAN (Papio anubis, Olive baboon), Gene INPP5A, Length 412 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
1M36.3Very low60.4Low247 Ų24791.1 Ų91.1100%1.21760%0.6SS**  0108.10-74.2-153.2-94.900107.9G3M1-G3 PolarHBondContact O-N 3.17Å
2A36.3Very low63.4Low105 Ų10583.8 Ų83.887%0.86855%0.551SS**  trans-68.5115.3174.100000107.9K4A2-K4 PolarHBondContact O-N 3.25Å
3G37.7Very low66.1Low74 Ų7477.3 Ų77.376%0.76351%0.509SS*.  trans-56.5121.6173.600000108.6M1 A5M1-G3 PolarHBondContact O-N 3.17Å; G3-A5 PolarHBondContact O-N 3.25Å
4K40.8Very low68.5Low206 Ų20671.8 Ų71.890%0.89647%0.472SS*.  trans-57109.8168.5-84.2-178.8174.7177.90106.7A2 A6A2-K4 PolarHBondContact O-N 3.25Å; K4-A6 PolarHBondContact O-N 2.95Å
5A48Very low70.5Confident96 Ų9667 Ų6779%0.79344%0.441SS*.PPolyproline II helixtrans-51.3129.2168.600000107.9G3 A7G3-A5 PolarHBondContact O-N 3.25Å; A5-A7 PolarHBondContact O-N 3.31Å
6A56.4Low72.3Confident88 Ų8862.8 Ų62.873%0.72741%0.413SS*.PPolyproline II helixtrans-56.4132.217700000108.7K4K4-A6 PolarHBondContact O-N 2.95Å
7A61.6Low73.8Confident60 Ų6059.1 Ų59.150%0.49639%0.389SS..PPolyproline II helixtrans-57.8133.7179.300000109.5A5 G9 P396A5-A7 PolarHBondContact O-N 3.31Å; A7-G9 PolarHBondContact O-N 3.38Å; A7-P396 HydrophobicContact CB-CG 4.09Å
8P74.2Confident75.2Confident100 Ų10056.2 Ų56.265%0.64937%0.369SS*.PPolyproline II helixtrans-62.6135.9-177.323.8-31.9000110.6
9G86.6Confident76.3Confident4 Ų453.3 Ų53.34%0.04135%0.35CS..PPolyproline II helixtrans-62.7154.5178.400000113.4A7 A11 R393 I394A7-G9 PolarHBondContact O-N 3.38Å; G9-A11 PolarHBondContact O-N 2.85Å; G9-R393 PolarHBondContact O-NH1 3.26Å; G9-I394 CarbonylContact C-O 3.58Å; G9-I394 WeakPolarHBondContact CA-O 3.33Å
10T92.1Very high77.1Confident17 Ų1750.6 Ų50.610%0.10433%0.333CS..EExtended strand (participates in β ladder)trans-76.8116.4-179.9-65.50000110.7V12 H47 L114 I173 A174 R393 I394T10-V12 HydrophobicContact CG2-CG2 4.47Å; T10-H47 WeakPolarHBondContact CA-ND1 3.18Å; T10-H47 HydrophobicContact CG2-CB 3.97Å; T10-L114 HydrophobicContact CG2-CD2 3.88Å; T10-I173 HydrophobicContact CG2-CG2 3.91Å; T10-A174 WeakPolarHBondContact OG1-CB 3.31Å; T10-R393 CarbonylContact O-C 3.58Å; T10-R393 VanDerWaalsContact O-CA 3.25Å; T10-R393 WeakPolarHBondContact O-CA 3.19Å; T10-I394 PolarHBondContact N-O 3.15Å; T10-I394 PolarHBondContact O-N 3.29Å
11A94.7Very high77.8Confident5 Ų548.2 Ų48.24%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-70.8131.217500000111.3G9 H47 F48 R393G9-A11 PolarHBondContact O-N 2.85Å; A11-H47 PolarHBondContact N-ND1 3.44Å; A11-H47 VanDerWaalsContact N-ND1 3.12Å; A11-H47 WeakPolarHBondContact O-CB 3.36Å; A11-H47 PolarHBondContact O-N 2.97Å; A11-F48 PolarHBondContact O-N 3.14Å; A11-F48 VanDerWaalsContact O-N 3.1Å; A11-R393 HydrophobicContact CB-CG 4.39Å
12V96.7Very high80.5Confident3 Ų336.5 Ų36.52%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-123.9136.3179.5176.50000109.1T10 L14 F48 A391 F392 I394T10-V12 HydrophobicContact CG2-CG2 4.47Å; V12-L14 HydrophobicContact CG1-CD2 3.82Å; V12-L14 HydrophobicContact CG1-CG 4.13Å; V12-F48 VanDerWaalsContact CA-O 3.3Å; V12-F48 WeakPolarHBondContact CA-O 3.3Å; V12-F48 HydrophobicContact CG1-CD1 4.15Å; V12-F48 HydrophobicContact CG2-CB 4.5Å; V12-A391 WeakPolarHBondContact O-CA 3.42Å; V12-F392 HydrophobicContact CB-CD1 4.14Å; V12-F392 HydrophobicContact CB-CE1 3.78Å; V12-F392 HydrophobicContact CB-CE2 4.16Å; V12-F392 HydrophobicContact CB-CZ 3.79Å; V12-F392 HydrophobicContact CG1-CD1 4.23Å; V12-F392 HydrophobicContact CG1-CE1 3.46Å; V12-F392 VanDerWaalsContact CG1-CE1 3.46Å; V12-F392 HydrophobicContact CG1-CE2 4.42Å; V12-F392 HydrophobicContact CG1-CZ 3.58Å; V12-F392 HydrophobicContact CG2-CE2 4.41Å; V12-F392 HydrophobicContact CG2-CZ 4.31Å; V12-F392 PolarHBondContact N-O 3.12Å; V12-F392 PolarHBondContact O-N 3.28Å; V12-I394 HydrophobicContact CG2-CD1 3.76Å; V12-I394 HydrophobicContact CG2-CG1 3.97Å
13L98.6Very high82.9Confident0 Ų031.6 Ų31.60%022%0.219CC..EExtended strand (participates in β ladder)trans-124.8118.9170.7-179.165.9000109.1V15 V40 V41 P46 F48 M49 A50 F389 A391L13-V15 HydrophobicContact CD1-CG2 4.25Å; L13-V15 HydrophobicContact CD2-CG2 4.07Å; L13-V15 HydrophobicContact CG-CG2 3.78Å; L13-V40 HydrophobicContact CD1-CG1 4.17Å; L13-V40 HydrophobicContact CD2-CG1 3.97Å; L13-V41 HydrophobicContact CD2-CG2 4.4Å; L13-P46 HydrophobicContact CB-CB 3.56Å; L13-P46 HydrophobicContact CB-CG 3.73Å; L13-P46 HydrophobicContact CD2-CG 3.97Å; L13-F48 PolarHBondContact N-O 3.37Å; L13-M49 HydrophobicContact CB-CB 4.49Å; L13-M49 HydrophobicContact CB-CG 4.27Å; L13-M49 HydrophobicContact CD2-CG 4.27Å; L13-M49 HydrophobicContact CD2-SD 3.78Å; L13-M49 HydrophobicContact CG-CG 4.43Å; L13-M49 CarbonylContact O-C 3.58Å; L13-M49 VanDerWaalsContact O-CA 3.27Å; L13-M49 WeakPolarHBondContact O-CA 3.37Å; L13-A50 PolarHBondContact O-N 3Å; L13-F389 HydrophobicContact CD1-CB 4.02Å; L13-F389 HydrophobicContact CD1-CD2 3.57Å; L13-F389 HydrophobicContact CD1-CE2 4.44Å; L13-F389 HydrophobicContact CD1-CG 4.14Å; L13-A391 HydrophobicContact CD1-CB 3.96Å
14L98.9Very high85.1Confident0 Ų031.9 Ų31.90%020%0.202CC..EExtended strand (participates in β ladder)trans-105.2131.4171.5-52-179.1000107.6V12 A50 L180 F228 F230 I351 F389 L390 F392V12-L14 HydrophobicContact CG1-CD2 3.82Å; V12-L14 HydrophobicContact CG1-CG 4.13Å; L14-A50 CarbonylContact C-O 3.6Å; L14-A50 WeakPolarHBondContact CA-O 3.31Å; L14-A50 HydrophobicContact CD2-CB 3.86Å; L14-L180 HydrophobicContact CD1-CD2 4.48Å; L14-L180 HydrophobicContact CD2-CD2 3.92Å; L14-F228 HydrophobicContact CD1-CB 3.95Å; L14-F228 HydrophobicContact CD1-CD1 3.56Å; L14-F228 HydrophobicContact CD1-CD2 4.28Å; L14-F228 HydrophobicContact CD1-CE1 4.09Å; L14-F228 HydrophobicContact CD1-CG 3.67Å; L14-F230 HydrophobicContact CB-CE2 4.18Å; L14-F230 HydrophobicContact CB-CZ 4.17Å; L14-F230 HydrophobicContact CD1-CE1 4.39Å; L14-F230 HydrophobicContact CD2-CE1 4.45Å; L14-F230 HydrophobicContact CD2-CZ 4.16Å; L14-I351 HydrophobicContact CB-CD1 4.26Å; L14-I351 HydrophobicContact CD1-CG2 4.28Å; L14-I351 WeakPolarHBondContact O-CD1 3.45Å; L14-F389 CarbonylContact O-C 3.41Å; L14-F389 WeakPolarHBondContact O-CA 3.38Å; L14-F389 WeakPolarHBondContact O-CB 2.94Å; L14-L390 HydrophobicContact CB-CB 4.46Å; L14-L390 PolarHBondContact N-O 2.84Å; L14-L390 PolarHBondContact O-N 3.05Å; L14-F392 HydrophobicContact CD1-CE1 3.98Å; L14-F392 HydrophobicContact CG-CE1 4.07Å
15V98.9Very high87.2Confident0 Ų024.2 Ų24.20%017%0.171CC..EExtended strand (participates in β ladder)trans-132.6132.1-179.5-172.40000108.7L13 F37 A50 L51 H52 F230 I376 P387 V388 F389L13-V15 HydrophobicContact CD1-CG2 4.25Å; L13-V15 HydrophobicContact CD2-CG2 4.07Å; L13-V15 HydrophobicContact CG-CG2 3.78Å; V15-F37 HydrophobicContact CG2-CE2 4.17Å; V15-A50 PolarHBondContact N-O 2.91Å; V15-L51 HydrophobicContact CB-CD1 3.87Å; V15-L51 HydrophobicContact CG1-CD1 3.73Å; V15-L51 CarbonylContact O-C 3.59Å; V15-L51 WeakPolarHBondContact O-CA 3.48Å; V15-H52 PolarHBondContact O-N 2.81Å; V15-F230 WeakPolarHBondContact O-CE2 3.35Å; V15-I376 HydrophobicContact CG1-CD1 3.92Å; V15-P387 HydrophobicContact CG1-CB 4.31Å; V15-V388 CarbonylContact C-O 3.4Å; V15-V388 WeakPolarHBondContact CA-O 3.39Å; V15-F389 HydrophobicContact CB-CB 4.49Å; V15-F389 HydrophobicContact CG1-CB 4.5Å; V15-F389 HydrophobicContact CG2-CB 3.93Å
16T98.9Very high88.8Confident0 Ų020.5 Ų20.50%014%0.139CC..EExtended strand (participates in β ladder)trans-112.2140.6165.9-177.10000110.3H52 Q54 G231 D349 I351 P387 V388T16-H52 CarbonylContact C-O 3.6Å; T16-H52 VanDerWaalsContact CA-O 3.32Å; T16-H52 WeakPolarHBondContact CA-O 3.45Å; T16-Q54 PolarHBondContact OG1-NE2 3.45Å; T16-Q54 PolarHBondContact OG1-OE1 2.92Å; T16-G231 VanDerWaalsContact OG1-C 3.28Å; T16-G231 WeakPolarHBondContact OG1-CA 3.44Å; T16-G231 PolarHBondContact OG1-N 2.74Å; T16-D349 HydrophobicContact CG2-CB 4.08Å; T16-I351 HydrophobicContact CG2-CG1 4.35Å; T16-P387 CarbonylContact O-C 3.56Å; T16-P387 VanDerWaalsContact O-CA 3.25Å; T16-P387 WeakPolarHBondContact O-CA 3.48Å; T16-V388 HydrophobicContact CG2-CB 3.95Å; T16-V388 PolarHBondContact N-O 3.37Å; T16-V388 PolarHBondContact O-N 3.37Å
17A98.6Very high90.2Very high0 Ų022.4 Ų22.40%013%0.133CC..EExtended strand (participates in β ladder)trans-150.4119.3176.800000111.5V19 W33 L51 H52 C53 Q54 P387A17-V19 HydrophobicContact CB-CG1 3.83Å; A17-V19 PolarHBondContact O-N 3Å; A17-W33 HydrophobicContact CB-CZ2 3.84Å; A17-L51 HydrophobicContact CB-CD1 4.46Å; A17-H52 PolarHBondContact N-O 3.24Å; A17-C53 CarbonylContact O-C 3.37Å; A17-C53 WeakPolarHBondContact O-CA 3.45Å; A17-Q54 PolarHBondContact O-N 3.15Å; A17-Q54 PolarHBondContact O-OE1 3.15Å; A17-P387 HydrophobicContact CB-CB 3.94Å; A17-P387 HydrophobicContact CB-CG 3.97Å
18N98Very high91.5Very high6 Ų623.4 Ų23.43%0.03213%0.13CC..EExtended strand (participates in β ladder)trans-72.4115.5158.4-170.5-33.4000108.1G20 Q54 E55 D232 H385N18-G20 PolarHBondContact OD1-N 2.83Å; N18-Q54 HydrophobicContact CB-CB 4.36Å; N18-Q54 VanDerWaalsContact N-OE1 3.17Å; N18-E55 WeakPolarHBondContact OD1-CB 3.29Å; N18-E55 WeakPolarHBondContact OD1-CG 3.35Å; N18-D232 PolarHBondContact ND2-OD2 3.08Å; N18-D232 VanDerWaalsContact ND2-OD2 3.11Å; N18-H385 HydrophobicContact CB-CB 3.91Å
19V95.9Very high92.3Very high1 Ų118.9 Ų18.91%0.00610%0.1CC..  trans-108.313.6-171-67.70000112.6A17 S21 L22 F23 W33 C53 Q54 F56A17-V19 HydrophobicContact CB-CG1 3.83Å; A17-V19 PolarHBondContact O-N 3Å; V19-S21 VanDerWaalsContact C-N 3.3Å; V19-S21 PolarHBondContact O-N 2.86Å; V19-L22 HydrophobicContact CB-CD1 3.81Å; V19-L22 HydrophobicContact CB-CG 4.09Å; V19-L22 HydrophobicContact CG1-CD1 3.68Å; V19-L22 HydrophobicContact CG1-CG 4.4Å; V19-L22 WeakPolarHBondContact O-CB 3.33Å; V19-L22 PolarHBondContact O-N 2.77Å; V19-F23 HydrophobicContact CB-CE2 4.11Å; V19-F23 HydrophobicContact CG2-CE2 3.66Å; V19-F23 HydrophobicContact CG2-CZ 4.2Å; V19-F23 VanDerWaalsContact O-CD2 3.31Å; V19-F23 WeakPolarHBondContact O-CD2 3.48Å; V19-F23 WeakPolarHBondContact O-CE2 3.45Å; V19-W33 HydrophobicContact CG1-CZ2 4.47Å; V19-C53 HydrophobicContact CG1-CB 4.38Å; V19-C53 HydrophobicContact CG2-CB 3.83Å; V19-Q54 VanDerWaalsContact CG2-O 3.24Å; V19-Q54 WeakPolarHBondContact CG2-O 3Å; V19-Q54 PolarHBondContact N-O 3.01Å; V19-F56 HydrophobicContact CG2-CD2 3.91Å
20G92.9Very high92.6Very high0 Ų018.8 Ų18.80%010%0.099CC..G310 helixtrans-52-46.5-175.600000113.1N18 L22 G58N18-G20 PolarHBondContact OD1-N 2.83Å; G20-L22 VanDerWaalsContact C-N 3.31Å; G20-L22 PolarHBondContact O-N 2.97Å; G20-G58 WeakPolarHBondContact O-CA 3.34Å
21S92.4Very high92.6Very high1 Ų125 Ų251%0.00712%0.124CC..G310 helixtrans-65.8-27.3179.3-52.60000114.5V19 F23 D24 D25 E331 D384V19-S21 VanDerWaalsContact C-N 3.3Å; V19-S21 PolarHBondContact O-N 2.86Å; S21-F23 PolarHBondContact O-N 3.44Å; S21-D24 PolarHBondContact O-N 3.12Å; S21-D24 VanDerWaalsContact O-N 3.15Å; S21-D25 PolarHBondContact O-N 2.81Å; S21-E331 WeakPolarHBondContact CB-OE1 3.39Å; S21-E331 PolarHBondContact OG-OE1 2.89Å; S21-D384 PolarHBondContact OG-N 3.09Å; S21-D384 PolarHBondContact OG-OD1 3.09Å
22L91.4Very high92.6Very high1 Ų126.2 Ų26.21%0.00513%0.13CC..G310 helixtrans-65.6-29.7-171.3-59.8-170000112.5V19 G20 D24 D25 L29 W33 F71 M382V19-L22 HydrophobicContact CB-CD1 3.81Å; V19-L22 HydrophobicContact CB-CG 4.09Å; V19-L22 HydrophobicContact CG1-CD1 3.68Å; V19-L22 HydrophobicContact CG1-CG 4.4Å; V19-L22 WeakPolarHBondContact O-CB 3.33Å; V19-L22 PolarHBondContact O-N 2.77Å; G20-L22 VanDerWaalsContact C-N 3.31Å; G20-L22 PolarHBondContact O-N 2.97Å; L22-D24 VanDerWaalsContact C-N 3.34Å; L22-D25 CarbonylContact O-C 3.57Å; L22-L29 HydrophobicContact CD2-CB 4.08Å; L22-W33 HydrophobicContact CD1-CB 4.05Å; L22-W33 HydrophobicContact CD1-CD2 3.73Å; L22-W33 HydrophobicContact CD1-CE3 4.37Å; L22-W33 HydrophobicContact CD1-CG 3.53Å; L22-W33 HydrophobicContact CD2-CB 3.83Å; L22-W33 HydrophobicContact CD2-CG 3.92Å; L22-W33 HydrophobicContact CG-CG 4.38Å; L22-F71 HydrophobicContact CD1-CE2 4.35Å; L22-F71 HydrophobicContact CD1-CZ 4.48Å; L22-M382 WeakPolarHBondContact CD2-O 3.43Å
23F88.3Confident92.6Very high2 Ų226.1 Ų26.11%0.00913%0.129CC..G310 helixtrans-85.1-12.7-178.3-53.4-72.5000112.8V19 S21 F56 G57 H67 V68 F71V19-F23 HydrophobicContact CB-CE2 4.11Å; V19-F23 HydrophobicContact CG2-CE2 3.66Å; V19-F23 HydrophobicContact CG2-CZ 4.2Å; V19-F23 VanDerWaalsContact O-CD2 3.31Å; V19-F23 WeakPolarHBondContact O-CD2 3.48Å; V19-F23 WeakPolarHBondContact O-CE2 3.45Å; S21-F23 PolarHBondContact O-N 3.44Å; F23-F56 HydrophobicContact CE2-CD2 4.44Å; F23-F56 HydrophobicContact CZ-CD2 4.06Å; F23-F56 AromaticContact CZ-CE2 3.93Å; F23-F56 HydrophobicContact CZ-CE2 3.93Å; F23-F56 HydrophobicContact CZ-CZ 4.32Å; F23-G57 VanDerWaalsContact CE2-N 3.27Å; F23-H67 HydrophobicContact CD1-CB 4.19Å; F23-H67 PolarHBondContact O-CD2 2.86Å; F23-V68 HydrophobicContact CD1-CG2 3.97Å; F23-V68 HydrophobicContact CE1-CB 4.35Å; F23-V68 HydrophobicContact CE1-CG2 3.79Å; F23-V68 HydrophobicContact CZ-CG2 4.25Å; F23-F71 HydrophobicContact CE1-CB 4.09Å; F23-F71 HydrophobicContact CE1-CD1 4.35Å; F23-F71 HydrophobicContact CE1-CG 4.29Å; F23-F71 HydrophobicContact CZ-CD1 4.34Å
24D83.5Confident92.5Very high79 Ų7926.5 Ų26.542%0.42213%0.131SC..THydrogen-bonded Turntrans-85.7-25.5176.1-60.7-31.8000111.8S21 L22S21-D24 PolarHBondContact O-N 3.12Å; S21-D24 VanDerWaalsContact O-N 3.15Å; L22-D24 VanDerWaalsContact C-N 3.34Å
25D84.2Confident92.4Very high46 Ų4632 Ų3225%0.24615%0.152CC..  trans-137.182.4171.7-176.1-3.1000112.6S21 L22 E27 N28 L29 Q30S21-D25 PolarHBondContact O-N 2.81Å; L22-D25 CarbonylContact O-C 3.57Å; D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.84Å; D25-E27 PolarHBondContact OD1-N 2.86Å; D25-N28 PolarHBondContact OD1-N 3.34Å; D25-N28 VanDerWaalsContact OD1-N 3.09Å; D25-N28 PolarHBondContact OD1-ND2 2.9Å; D25-N28 VanDerWaalsContact OD1-ND2 3.17Å; D25-N28 WeakPolarHBondContact OD2-CB 3.48Å; D25-N28 PolarHBondContact OD2-ND2 3.35Å; D25-L29 HydrophobicContact CB-CB 4.36Å; D25-L29 HydrophobicContact CB-CD1 4.03Å; D25-L29 HydrophobicContact CB-CG 4Å; D25-L29 WeakPolarHBondContact O-CB 3.4Å; D25-L29 PolarHBondContact O-N 3.2Å; D25-Q30 PolarHBondContact O-N 3.46Å
26P83Confident92.4Very high18 Ų1833.1 Ų33.112%0.11716%0.157CC..Iπ-helixtrans-66.7-26.5-179.6-22.733.9000114.7Q30 H67P26-Q30 WeakPolarHBondContact O-CB 3.45Å; P26-H67 HydrophobicContact CG-CB 4.13Å
27E85Confident92.4Very high128 Ų12833.1 Ų33.160%0.59816%0.157SC*.Iπ-helixtrans-81.1-32.5-172-69.3-59.7134.300112.1D25 K70D25-E27 VanDerWaalsContact C-N 3.31Å; D25-E27 PolarHBondContact O-N 2.84Å; D25-E27 PolarHBondContact OD1-N 2.86Å; E27-K70 IonicContact OE1-NZ 2.85Å
28N88.9Confident92.4Very high80 Ų8035 Ų3543%0.42817%0.165SC..Iπ-helixtrans-106.3-58.7178-50.7-70.3000112.5D25 N32 A333D25-N28 PolarHBondContact OD1-N 3.34Å; D25-N28 VanDerWaalsContact OD1-N 3.09Å; D25-N28 PolarHBondContact OD1-ND2 2.9Å; D25-N28 VanDerWaalsContact OD1-ND2 3.17Å; D25-N28 WeakPolarHBondContact OD2-CB 3.48Å; D25-N28 PolarHBondContact OD2-ND2 3.35Å; N28-N32 WeakPolarHBondContact O-CB 3.42Å; N28-N32 VanDerWaalsContact O-CG 3.29Å; N28-N32 PolarHBondContact O-N 3.27Å; N28-N32 PolarHBondContact O-ND2 3.24Å; N28-A333 HydrophobicContact CB-CB 4.16Å
29L90.9Very high92.4Very high5 Ų539.3 Ų39.33%0.02619%0.185CC..Iπ-helixtrans-69.4-51.7-170.3-64.9-178.1000111.8L22 D25 K31 N32 W33 C381L22-L29 HydrophobicContact CD2-CB 4.08Å; D25-L29 HydrophobicContact CB-CB 4.36Å; D25-L29 HydrophobicContact CB-CD1 4.03Å; D25-L29 HydrophobicContact CB-CG 4Å; D25-L29 WeakPolarHBondContact O-CB 3.4Å; D25-L29 PolarHBondContact O-N 3.2Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.09Å; L29-N32 PolarHBondContact O-N 3.42Å; L29-W33 VanDerWaalsContact O-CB 3.23Å; L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 3.36Å; L29-C381 HydrophobicContact CD2-CB 4.22Å; L29-C381 WeakPolarHBondContact CD2-SG 3.47Å
30Q93.1Very high92.5Very high2 Ų240 Ų401%0.00919%0.189CC..Iπ-helixtrans-59-43.2178.5172.9179.874.400111.8D25 P26 W33 L34 F71D25-Q30 PolarHBondContact O-N 3.46Å; P26-Q30 WeakPolarHBondContact O-CB 3.45Å; Q30-W33 PolarHBondContact O-N 2.86Å; Q30-L34 HydrophobicContact CG-CD1 3.94Å; Q30-L34 WeakPolarHBondContact O-CB 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.33Å; Q30-L34 PolarHBondContact O-N 3.38Å; Q30-F71 HydrophobicContact CG-CD2 3.97Å; Q30-F71 VanDerWaalsContact NE2-CB 3.32Å
31K92.9Very high92.7Very high147 Ų14740.3 Ų40.364%0.63919%0.191SC*.Hα-helixtrans-63.3-46.6179.3-175.6179.7179.7179.70112.5L29 W33 R35L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.09Å; K31-W33 VanDerWaalsContact C-N 3.35Å; K31-R35 PolarHBondContact O-N 3.09Å; K31-R35 VanDerWaalsContact O-N 3.15Å
32N93.9Very high92.9Very high31 Ų3146.7 Ų46.717%0.16622%0.22CC..Hα-helixtrans-61.9-46.2175.5-76.8-22000110.6N28 L29 L34 R35 E36 V380N28-N32 WeakPolarHBondContact O-CB 3.42Å; N28-N32 VanDerWaalsContact O-CG 3.29Å; N28-N32 PolarHBondContact O-N 3.27Å; N28-N32 PolarHBondContact O-ND2 3.24Å; L29-N32 PolarHBondContact O-N 3.42Å; N32-L34 PolarHBondContact O-N 2.86Å; N32-R35 WeakPolarHBondContact O-CB 3.36Å; N32-R35 PolarHBondContact O-N 3.4Å; N32-R35 PolarHBondContact OD1-NH1 2.71Å; N32-E36 WeakPolarHBondContact O-CG 3.48Å; N32-E36 PolarHBondContact O-N 2.7Å; N32-V380 HydrophobicContact CB-CG1 3.87Å
33W96.8Very high93.1Very high1 Ų151.4 Ų51.40%0.00425%0.249CC..Hα-helixtrans-57-49.1179.9-170.6102.9000112.2A17 V19 L22 L29 Q30 K31 R35 E36 F37 L51 F71 L75 M382 P387A17-W33 HydrophobicContact CB-CZ2 3.84Å; V19-W33 HydrophobicContact CG1-CZ2 4.47Å; L22-W33 HydrophobicContact CD1-CB 4.05Å; L22-W33 HydrophobicContact CD1-CD2 3.73Å; L22-W33 HydrophobicContact CD1-CE3 4.37Å; L22-W33 HydrophobicContact CD1-CG 3.53Å; L22-W33 HydrophobicContact CD2-CB 3.83Å; L22-W33 HydrophobicContact CD2-CG 3.92Å; L22-W33 HydrophobicContact CG-CG 4.38Å; L29-W33 VanDerWaalsContact O-CB 3.23Å; L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 3.36Å; Q30-W33 PolarHBondContact O-N 2.86Å; K31-W33 VanDerWaalsContact C-N 3.35Å; W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3.18Å; W33-E36 PolarHBondContact O-N 2.83Å; W33-F37 HydrophobicContact CE3-CB 4.04Å; W33-F37 HydrophobicContact CH2-CB 4.13Å; W33-F37 AromaticContact CH2-CD2 3.87Å; W33-F37 HydrophobicContact CH2-CD2 3.87Å; W33-F37 HydrophobicContact CH2-CE2 4.41Å; W33-F37 AromaticContact CH2-CG 3.91Å; W33-F37 HydrophobicContact CH2-CG 3.91Å; W33-F37 HydrophobicContact CZ3-CB 3.75Å; W33-F37 HydrophobicContact CZ3-CD1 4.12Å; W33-F37 HydrophobicContact CZ3-CD2 4.22Å; W33-F37 AromaticContact CZ3-CG 3.76Å; W33-F37 HydrophobicContact CZ3-CG 3.76Å; W33-F37 VanDerWaalsContact O-CB 3.31Å; W33-F37 WeakPolarHBondContact O-CB 3.48Å; W33-F37 PolarHBondContact O-N 3.24Å; W33-L51 HydrophobicContact CH2-CD1 4.02Å; W33-L51 HydrophobicContact CH2-CD2 3.87Å; W33-L51 HydrophobicContact CZ2-CD1 4.26Å; W33-F71 AromaticContact CE3-CE2 3.92Å; W33-F71 HydrophobicContact CE3-CE2 3.92Å; W33-F71 HydrophobicContact CE3-CZ 4.04Å; W33-F71 HydrophobicContact CH2-CZ 4.17Å; W33-F71 AromaticContact CZ3-CE2 3.97Å; W33-F71 HydrophobicContact CZ3-CE2 3.97Å; W33-F71 AromaticContact CZ3-CZ 3.71Å; W33-F71 HydrophobicContact CZ3-CZ 3.71Å; W33-L75 HydrophobicContact CZ3-CD2 4.43Å; W33-M382 HydrophobicContact CB-CE 4.14Å; W33-M382 HydrophobicContact CB-SD 4.45Å; W33-M382 VanDerWaalsContact CD1-CE 3.5Å; W33-M382 HydrophobicContact CG-CE 3.8Å; W33-P387 HydrophobicContact CZ2-CG 4.15Å
34L96.9Very high93.5Very high8 Ų853.6 Ų53.64%0.04226%0.259CS..Hα-helixtrans-62.5-40.4178.8-74169.3000111.9Q30 N32 F37 Y38 F71 E74 L75Q30-L34 HydrophobicContact CG-CD1 3.94Å; Q30-L34 WeakPolarHBondContact O-CB 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.33Å; Q30-L34 PolarHBondContact O-N 3.38Å; N32-L34 PolarHBondContact O-N 2.86Å; L34-F37 PolarHBondContact O-N 3.48Å; L34-Y38 HydrophobicContact CB-CD2 4.44Å; L34-Y38 HydrophobicContact CB-CE2 3.94Å; L34-Y38 HydrophobicContact CD2-CE2 4.36Å; L34-Y38 WeakPolarHBondContact O-CB 3.06Å; L34-Y38 WeakPolarHBondContact O-CD2 3.25Å; L34-Y38 PolarHBondContact O-N 3.07Å; L34-F71 HydrophobicContact CD1-CD2 4.41Å; L34-F71 HydrophobicContact CD2-CD2 4.2Å; L34-F71 HydrophobicContact CD2-CE2 3.71Å; L34-F71 HydrophobicContact CG-CD2 4.46Å; L34-F71 HydrophobicContact CG-CE2 4.1Å; L34-E74 HydrophobicContact CD1-CB 4.18Å; L34-E74 WeakPolarHBondContact CD1-OE2 3.45Å; L34-L75 HydrophobicContact CD2-CD2 3.63Å; L34-L75 HydrophobicContact CD2-CG 4.01Å
35R96.7Very high94.1Very high117 Ų11756.2 Ų56.244%0.44227%0.267SS..Hα-helixtrans-59.3-51.9176.9-176.2-173.469.6-145.2-4.5111.4K31 N32 W33 Y38 Q39K31-R35 PolarHBondContact O-N 3.09Å; K31-R35 VanDerWaalsContact O-N 3.15Å; N32-R35 WeakPolarHBondContact O-CB 3.36Å; N32-R35 PolarHBondContact O-N 3.4Å; N32-R35 PolarHBondContact OD1-NH1 2.71Å; W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3.18Å; R35-Y38 PolarHBondContact O-N 2.87Å; R35-Q39 WeakPolarHBondContact O-CG 3.39Å; R35-Q39 PolarHBondContact O-N 3.42Å; R35-Q39 VanDerWaalsContact O-N 3.09Å
36E98.2Very high94.7Very high23 Ų2354.1 Ų54.111%0.10726%0.255CS..Hα-helixtrans-66.2-40-179-57.7-53.712900111.3N32 W33 Y38 Q39 V40 I376 V380 M382N32-E36 WeakPolarHBondContact O-CG 3.48Å; N32-E36 PolarHBondContact O-N 2.7Å; W33-E36 PolarHBondContact O-N 2.83Å; E36-Y38 PolarHBondContact O-N 2.92Å; E36-Q39 WeakPolarHBondContact O-CB 3.48Å; E36-Q39 PolarHBondContact O-N 3.13Å; E36-Q39 PolarHBondContact OE2-OE1 3.38Å; E36-V40 PolarHBondContact O-N 3.03Å; E36-V40 VanDerWaalsContact O-N 3.15Å; E36-I376 HydrophobicContact CB-CG2 3.68Å; E36-V380 HydrophobicContact CG-CB 4.11Å; E36-V380 HydrophobicContact CG-CG1 4.02Å; E36-V380 HydrophobicContact CG-CG2 4.04Å; E36-M382 HydrophobicContact CB-CE 3.86Å; E36-M382 HydrophobicContact CB-SD 4.07Å; E36-M382 HydrophobicContact CG-CE 4.3Å; E36-M382 HydrophobicContact CG-SD 3.82Å
37F98.5Very high95.4Very high0 Ų055.4 Ų55.40%026%0.26CS..Hα-helixtrans-58.1-47.4174175.6-104.5000111.9V15 W33 L34 Q39 V40 V41 M49 L51 L75 I376V15-F37 HydrophobicContact CG2-CE2 4.17Å; W33-F37 HydrophobicContact CE3-CB 4.04Å; W33-F37 HydrophobicContact CH2-CB 4.13Å; W33-F37 AromaticContact CH2-CD2 3.87Å; W33-F37 HydrophobicContact CH2-CD2 3.87Å; W33-F37 HydrophobicContact CH2-CE2 4.41Å; W33-F37 AromaticContact CH2-CG 3.91Å; W33-F37 HydrophobicContact CH2-CG 3.91Å; W33-F37 HydrophobicContact CZ3-CB 3.75Å; W33-F37 HydrophobicContact CZ3-CD1 4.12Å; W33-F37 HydrophobicContact CZ3-CD2 4.22Å; W33-F37 AromaticContact CZ3-CG 3.76Å; W33-F37 HydrophobicContact CZ3-CG 3.76Å; W33-F37 VanDerWaalsContact O-CB 3.31Å; W33-F37 WeakPolarHBondContact O-CB 3.48Å; W33-F37 PolarHBondContact O-N 3.24Å; L34-F37 PolarHBondContact O-N 3.48Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.2Å; F37-V40 WeakPolarHBondContact O-CB 3.22Å; F37-V40 PolarHBondContact O-N 2.98Å; F37-V40 VanDerWaalsContact O-N 3.16Å; F37-V41 HydrophobicContact CD1-CG2 4.34Å; F37-V41 HydrophobicContact CE1-CG2 3.95Å; F37-V41 HydrophobicContact CE2-CG2 4.41Å; F37-V41 HydrophobicContact CZ-CG2 4Å; F37-V41 WeakPolarHBondContact O-CG2 3.39Å; F37-V41 PolarHBondContact O-N 2.99Å; F37-M49 HydrophobicContact CE1-CE 4.1Å; F37-M49 HydrophobicContact CE1-SD 4.46Å; F37-M49 HydrophobicContact CE2-SD 4.09Å; F37-M49 HydrophobicContact CZ-CE 3.59Å; F37-M49 HydrophobicContact CZ-SD 3.56Å; F37-M49 VanDerWaalsContact CZ-SD 3.56Å; F37-L51 HydrophobicContact CE2-CD1 4.38Å; F37-L51 HydrophobicContact CE2-CD2 4.29Å; F37-L51 HydrophobicContact CZ-CD2 4.15Å; F37-L75 HydrophobicContact CD1-CD2 4.05Å; F37-L75 HydrophobicContact CE1-CD2 3.79Å; F37-I376 HydrophobicContact CD2-CD1 4.34Å
38Y98.4Very high96Very high39 Ų3949.3 Ų49.315%0.15323%0.231CC..Hα-helixtrans-65.7-30178.1-63.7-37.2000113.2L34 R35 E36 V41 H42 E74 L75 S78 A80 M81L34-Y38 HydrophobicContact CB-CD2 4.44Å; L34-Y38 HydrophobicContact CB-CE2 3.94Å; L34-Y38 HydrophobicContact CD2-CE2 4.36Å; L34-Y38 WeakPolarHBondContact O-CB 3.06Å; L34-Y38 WeakPolarHBondContact O-CD2 3.25Å; L34-Y38 PolarHBondContact O-N 3.07Å; R35-Y38 PolarHBondContact O-N 2.87Å; E36-Y38 PolarHBondContact O-N 2.92Å; Y38-V41 PolarHBondContact O-N 3.24Å; Y38-H42 WeakPolarHBondContact O-CB 2.97Å; Y38-H42 PolarHBondContact O-N 2.94Å; Y38-E74 PolarHBondContact OH-O 3.01Å; Y38-E74 VanDerWaalsContact OH-O 3.12Å; Y38-L75 HydrophobicContact CE1-CD2 4.34Å; Y38-S78 WeakPolarHBondContact CE1-OG 3.42Å; Y38-S78 WeakPolarHBondContact OH-CB 3.47Å; Y38-S78 PolarHBondContact OH-OG 2.82Å; Y38-A80 HydrophobicContact CD1-CB 3.78Å; Y38-A80 HydrophobicContact CD2-CB 4.27Å; Y38-A80 HydrophobicContact CE1-CB 4.37Å; Y38-A80 HydrophobicContact CG-CB 3.73Å; Y38-M81 HydrophobicContact CD1-CG 4.24Å; Y38-M81 HydrophobicContact CD1-SD 4.42Å; Y38-M81 HydrophobicContact CE1-CG 3.69Å; Y38-M81 HydrophobicContact CE1-SD 4.31Å
39Q98.1Very high96.4Very high96 Ų9645.5 Ų45.545%0.44921%0.211SC..Hα-helixtrans-64.7-40.3172.5-71.8175.9800111.8R35 E36 F37 H42 T43R35-Q39 WeakPolarHBondContact O-CG 3.39Å; R35-Q39 PolarHBondContact O-N 3.42Å; R35-Q39 VanDerWaalsContact O-N 3.09Å; E36-Q39 WeakPolarHBondContact O-CB 3.48Å; E36-Q39 PolarHBondContact O-N 3.13Å; E36-Q39 PolarHBondContact OE2-OE1 3.38Å; F37-Q39 VanDerWaalsContact C-N 3.29Å; F37-Q39 PolarHBondContact O-N 3.2Å; Q39-H42 PolarHBondContact O-N 3.29Å; Q39-T43 WeakPolarHBondContact O-CB 3.36Å; Q39-T43 PolarHBondContact O-N 3.27Å; Q39-T43 PolarHBondContact O-OG1 3.37Å
40V98Very high96.8Very high17 Ų1745.2 Ų45.210%0.10321%0.21CC..Hα-helixtrans-64.2-44.9174.3175.40000110.6L13 E36 F37 H42 T43 H44 I376 F389L13-V40 HydrophobicContact CD1-CG1 4.17Å; L13-V40 HydrophobicContact CD2-CG1 3.97Å; E36-V40 PolarHBondContact O-N 3.03Å; E36-V40 VanDerWaalsContact O-N 3.15Å; F37-V40 WeakPolarHBondContact O-CB 3.22Å; F37-V40 PolarHBondContact O-N 2.98Å; F37-V40 VanDerWaalsContact O-N 3.16Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.29Å; V40-T43 PolarHBondContact O-N 3.15Å; V40-H44 PolarHBondContact O-CD2 3.07Å; V40-H44 VanDerWaalsContact O-CD2 3.31Å; V40-H44 PolarHBondContact O-N 2.65Å; V40-I376 HydrophobicContact CB-CD1 4.39Å; V40-I376 HydrophobicContact CG1-CD1 4.42Å; V40-I376 HydrophobicContact CG2-CB 4.5Å; V40-I376 HydrophobicContact CG2-CD1 4.03Å; V40-I376 HydrophobicContact CG2-CG1 4.01Å; V40-I376 HydrophobicContact CG2-CG2 3.94Å; V40-F389 HydrophobicContact CG1-CD1 4.31Å; V40-F389 HydrophobicContact CG1-CD2 4.22Å; V40-F389 HydrophobicContact CG1-CE1 4.37Å; V40-F389 HydrophobicContact CG1-CE2 4.31Å; V40-F389 HydrophobicContact CG1-CG 4.21Å; V40-F389 HydrophobicContact CG1-CZ 4.37Å; V40-F389 HydrophobicContact CG2-CE1 4.45Å
41V97.9Very high97.1Very high5 Ų545.1 Ų45.13%0.0321%0.209CC..Hα-helixtrans-58.2-46174.5177.40000111.2L13 F37 Y38 T43 K45 P46 M49 M81 Y84L13-V41 HydrophobicContact CD2-CG2 4.4Å; F37-V41 HydrophobicContact CD1-CG2 4.34Å; F37-V41 HydrophobicContact CE1-CG2 3.95Å; F37-V41 HydrophobicContact CE2-CG2 4.41Å; F37-V41 HydrophobicContact CZ-CG2 4Å; F37-V41 WeakPolarHBondContact O-CG2 3.39Å; F37-V41 PolarHBondContact O-N 2.99Å; Y38-V41 PolarHBondContact O-N 3.24Å; V41-T43 VanDerWaalsContact C-N 3.34Å; V41-T43 PolarHBondContact O-N 2.97Å; V41-K45 WeakPolarHBondContact O-CA 3.21Å; V41-K45 PolarHBondContact O-N 3.25Å; V41-P46 WeakPolarHBondContact O-CD 3.23Å; V41-M49 HydrophobicContact CG2-CE 4.06Å; V41-M49 HydrophobicContact CG2-SD 3.62Å; V41-M81 HydrophobicContact CG1-SD 4.08Å; V41-M81 HydrophobicContact CG2-SD 4.42Å; V41-Y84 HydrophobicContact CG1-CE2 4.03Å
42H96.9Very high97.4Very high136 Ų13638.1 Ų38.163%0.6318%0.179SC*.Hα-helixtrans-63.7-38.8179.1-176.377.4000112.8Y38 Q39 V40 K45Y38-H42 WeakPolarHBondContact O-CB 2.97Å; Y38-H42 PolarHBondContact O-N 2.94Å; Q39-H42 PolarHBondContact O-N 3.29Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.29Å; H42-K45 WeakPolarHBondContact O-CE 3.42Å; H42-K45 WeakPolarHBondContact O-CG 3.39Å
43T96.1Very high97.6Very high99 Ų9936.7 Ų36.761%0.60717%0.171SC*.Hα-helixtrans-69-50.2-179.3-61.30000111.2Q39 V40 V41Q39-T43 WeakPolarHBondContact O-CB 3.36Å; Q39-T43 PolarHBondContact O-N 3.27Å; Q39-T43 PolarHBondContact O-OG1 3.37Å; V40-T43 PolarHBondContact O-N 3.15Å; V41-T43 VanDerWaalsContact C-N 3.34Å; V41-T43 PolarHBondContact O-N 2.97Å
44H95.5Very high97.6Very high48 Ų4836.6 Ų36.622%0.22217%0.171CC..Hα-helixtrans-89.1-18-173.1-66.6-74.9000114.1V40 F389 A391V40-H44 PolarHBondContact O-CD2 3.07Å; V40-H44 VanDerWaalsContact O-CD2 3.31Å; V40-H44 PolarHBondContact O-N 2.65Å; H44-F389 AromaticContact CD2-CE2 3.96Å; H44-F389 AromaticContact CE1-CE2 3.94Å; H44-F389 AromaticContact NE2-CE2 3.36Å; H44-F389 WeakPolarHBondContact NE2-CE2 3.43Å; H44-F389 AromaticContact NE2-CZ 3.64Å; H44-A391 HydrophobicContact CB-CB 4.28Å; H44-A391 WeakPolarHBondContact ND1-CB 3.49Å
45K96.1Very high97.5Very high135 Ų13537.7 Ų37.759%0.58718%0.175SC*.  trans44.455.9-180-56.8-176.8-178.7176.40112.5V41 H42V41-K45 WeakPolarHBondContact O-CA 3.21Å; V41-K45 PolarHBondContact O-N 3.25Å; H42-K45 WeakPolarHBondContact O-CE 3.42Å; H42-K45 WeakPolarHBondContact O-CG 3.39Å
46P96.8Very high97.2Very high1 Ų132.2 Ų32.21%0.00616%0.155CC..  trans-66.6140.6-174.327.5-33.2000111L13 V41 M49 Y84L13-P46 HydrophobicContact CB-CB 3.56Å; L13-P46 HydrophobicContact CB-CG 3.73Å; L13-P46 HydrophobicContact CD2-CG 3.97Å; V41-P46 WeakPolarHBondContact O-CD 3.23Å; P46-M49 HydrophobicContact CB-CB 4.48Å; P46-M49 HydrophobicContact CG-CB 4.21Å; P46-M49 HydrophobicContact CG-SD 4.4Å; P46-Y84 WeakPolarHBondContact CD-OH 3.14Å; P46-Y84 WeakPolarHBondContact CG-OH 3.21Å; P46-Y84 VanDerWaalsContact O-CE1 3.25Å; P46-Y84 WeakPolarHBondContact O-CE1 3.25Å; P46-Y84 PolarHBondContact O-OH 2.96Å
47H97.2Very high96.7Very high45 Ų4531.1 Ų31.121%0.20815%0.15CC..SBendtrans-78.8-36.9170-57.8149.1000111T10 A11 H111 L114T10-H47 WeakPolarHBondContact CA-ND1 3.18Å; T10-H47 HydrophobicContact CG2-CB 3.97Å; A11-H47 PolarHBondContact N-ND1 3.44Å; A11-H47 VanDerWaalsContact N-ND1 3.12Å; A11-H47 WeakPolarHBondContact O-CB 3.36Å; A11-H47 PolarHBondContact O-N 2.97Å; H47-H111 HydrophobicContact CB-CB 4.48Å; H47-H111 VanDerWaalsContact O-CB 3.25Å; H47-H111 WeakPolarHBondContact O-CB 3.39Å; H47-H111 PolarHBondContact O-N 2.95Å; H47-L114 HydrophobicContact CB-CD1 4.07Å; H47-L114 HydrophobicContact CB-CD2 3.81Å; H47-L114 HydrophobicContact CB-CG 3.86Å; H47-L114 WeakPolarHBondContact O-CD1 3.39Å
48F97.9Very high96.1Very high0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-124.3128.9174.7176.7-92.3000109A11 V12 L13 A50 Y108 L110 L114 W171 I173 F178 L180A11-F48 PolarHBondContact O-N 3.14Å; A11-F48 VanDerWaalsContact O-N 3.1Å; V12-F48 VanDerWaalsContact CA-O 3.3Å; V12-F48 WeakPolarHBondContact CA-O 3.3Å; V12-F48 HydrophobicContact CG1-CD1 4.15Å; V12-F48 HydrophobicContact CG2-CB 4.5Å; L13-F48 PolarHBondContact N-O 3.37Å; F48-A50 HydrophobicContact CE1-CB 4.19Å; F48-Y108 HydrophobicContact CZ-CD1 4.01Å; F48-L110 HydrophobicContact CD2-CD2 3.92Å; F48-L110 HydrophobicContact CD2-CG 3.97Å; F48-L110 HydrophobicContact CE2-CD2 4.15Å; F48-L110 HydrophobicContact CE2-CG 4.28Å; F48-L114 HydrophobicContact CB-CD1 4.09Å; F48-W171 AromaticContact CE2-CD2 3.89Å; F48-W171 HydrophobicContact CE2-CD2 3.89Å; F48-W171 AromaticContact CE2-CE3 3.76Å; F48-W171 HydrophobicContact CE2-CE3 3.76Å; F48-W171 HydrophobicContact CE2-CG 4.35Å; F48-W171 HydrophobicContact CE2-CZ3 4.1Å; F48-W171 AromaticContact CZ-CD2 3.93Å; F48-W171 HydrophobicContact CZ-CD2 3.93Å; F48-W171 HydrophobicContact CZ-CE3 4.29Å; F48-W171 HydrophobicContact CZ-CG 4.03Å; F48-I173 HydrophobicContact CD2-CD1 3.76Å; F48-I173 HydrophobicContact CD2-CG1 3.97Å; F48-I173 HydrophobicContact CE2-CD1 4.04Å; F48-I173 HydrophobicContact CE2-CG1 4.24Å; F48-I173 HydrophobicContact CG-CD1 4.46Å; F48-I173 HydrophobicContact CG-CG1 4.24Å; F48-F178 HydrophobicContact CE1-CE2 4.3Å; F48-F178 HydrophobicContact CE1-CZ 4.34Å; F48-L180 HydrophobicContact CE1-CD1 3.73Å; F48-L180 HydrophobicContact CZ-CD1 3.79Å
49M98.6Very high95.2Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-127.9133.2179.2178.5169.568.200110.5L13 F37 V41 P46 M81 Y108 F109L13-M49 HydrophobicContact CB-CB 4.49Å; L13-M49 HydrophobicContact CB-CG 4.27Å; L13-M49 HydrophobicContact CD2-CG 4.27Å; L13-M49 HydrophobicContact CD2-SD 3.78Å; L13-M49 HydrophobicContact CG-CG 4.43Å; L13-M49 CarbonylContact O-C 3.58Å; L13-M49 VanDerWaalsContact O-CA 3.27Å; L13-M49 WeakPolarHBondContact O-CA 3.37Å; F37-M49 HydrophobicContact CE1-CE 4.1Å; F37-M49 HydrophobicContact CE1-SD 4.46Å; F37-M49 HydrophobicContact CE2-SD 4.09Å; F37-M49 HydrophobicContact CZ-CE 3.59Å; F37-M49 HydrophobicContact CZ-SD 3.56Å; F37-M49 VanDerWaalsContact CZ-SD 3.56Å; V41-M49 HydrophobicContact CG2-CE 4.06Å; V41-M49 HydrophobicContact CG2-SD 3.62Å; P46-M49 HydrophobicContact CB-CB 4.48Å; P46-M49 HydrophobicContact CG-CB 4.21Å; P46-M49 HydrophobicContact CG-SD 4.4Å; M49-M81 HydrophobicContact CE-CE 3.26Å; M49-M81 HydrophobicContact CE-SD 3.96Å; M49-Y108 CarbonylContact O-C 3.49Å; M49-Y108 VanDerWaalsContact O-CA 3.31Å; M49-Y108 WeakPolarHBondContact O-CA 3.12Å; M49-F109 HydrophobicContact CB-CB 4.33Å; M49-F109 HydrophobicContact CE-CB 3.92Å; M49-F109 HydrophobicContact CE-CD2 3.32Å; M49-F109 HydrophobicContact CE-CE2 3.92Å; M49-F109 HydrophobicContact CE-CG 3.76Å; M49-F109 PolarHBondContact N-O 2.93Å; M49-F109 PolarHBondContact O-N 2.92Å
50A98.8Very high94.3Very high0 Ų033.3 Ų33.30%016%0.163CC..EExtended strand (participates in β ladder)trans-118.7121.2170.800000109.3L13 L14 V15 F48 F107 Y108 L180 F230L13-A50 PolarHBondContact O-N 3Å; L14-A50 CarbonylContact C-O 3.6Å; L14-A50 WeakPolarHBondContact CA-O 3.31Å; L14-A50 HydrophobicContact CD2-CB 3.86Å; V15-A50 PolarHBondContact N-O 2.91Å; F48-A50 HydrophobicContact CE1-CB 4.19Å; A50-F107 CarbonylContact C-O 3.52Å; A50-F107 WeakPolarHBondContact CA-O 3.44Å; A50-Y108 HydrophobicContact CB-CD1 3.72Å; A50-Y108 HydrophobicContact CB-CE1 3.8Å; A50-L180 HydrophobicContact CB-CD1 3.76Å; A50-F230 HydrophobicContact CB-CE2 4.48Å; A50-F230 HydrophobicContact CB-CZ 3.9Å
51L98.9Very high93.1Very high0 Ų033.9 Ų33.90%016%0.163CC..EExtended strand (participates in β ladder)trans-113.3114.7173.3166.267.4000108.1V15 A17 W33 F37 L75 F107V15-L51 HydrophobicContact CB-CD1 3.87Å; V15-L51 HydrophobicContact CG1-CD1 3.73Å; V15-L51 CarbonylContact O-C 3.59Å; V15-L51 WeakPolarHBondContact O-CA 3.48Å; A17-L51 HydrophobicContact CB-CD1 4.46Å; W33-L51 HydrophobicContact CH2-CD1 4.02Å; W33-L51 HydrophobicContact CH2-CD2 3.87Å; W33-L51 HydrophobicContact CZ2-CD1 4.26Å; F37-L51 HydrophobicContact CE2-CD1 4.38Å; F37-L51 HydrophobicContact CE2-CD2 4.29Å; F37-L51 HydrophobicContact CZ-CD2 4.15Å; L51-L75 HydrophobicContact CD2-CD1 4.11Å; L51-F107 HydrophobicContact CB-CB 4.17Å; L51-F107 HydrophobicContact CD2-CD2 4.27Å; L51-F107 HydrophobicContact CD2-CG 4.49Å; L51-F107 HydrophobicContact CG-CD2 4.36Å; L51-F107 PolarHBondContact N-O 2.85Å; L51-F107 PolarHBondContact O-N 3.03Å
52H98.9Very high91.8Very high0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-104.9120178.5-75.6-172.6000109.1V15 T16 A17 Q54 Y108 N182 F230V15-H52 PolarHBondContact O-N 2.81Å; T16-H52 CarbonylContact C-O 3.6Å; T16-H52 VanDerWaalsContact CA-O 3.32Å; T16-H52 WeakPolarHBondContact CA-O 3.45Å; A17-H52 PolarHBondContact N-O 3.24Å; H52-Q54 PolarHBondContact O-NE2 3.18Å; H52-Y108 AromaticContact NE2-CE1 3.65Å; H52-Y108 AromaticContact NE2-CZ 3.58Å; H52-Y108 PolarHBondContact NE2-OH 3.44Å; H52-N182 HydrophobicContact CB-CB 3.91Å; H52-N182 PolarHBondContact CE1-N 2.94Å; H52-N182 WeakPolarHBondContact ND1-CA 3.45Å; H52-N182 VanDerWaalsContact ND1-CB 3.28Å; H52-N182 WeakPolarHBondContact ND1-CB 3.31Å; H52-N182 PolarHBondContact ND1-N 3.31Å; H52-F230 HydrophobicContact CB-CD2 3.83Å; H52-F230 HydrophobicContact CB-CE2 3.62Å; H52-F230 HydrophobicContact CB-CZ 4.43Å; H52-F230 AromaticContact CD2-CE2 3.78Å; H52-F230 AromaticContact CD2-CZ 3.78Å; H52-F230 AromaticContact CE1-CE1 3.38Å; H52-F230 WeakPolarHBondContact CE1-CE1 3.21Å; H52-F230 AromaticContact CE1-CE2 3.67Å; H52-F230 AromaticContact CE1-CZ 3.14Å; H52-F230 WeakPolarHBondContact CE1-CZ 3.38Å; H52-F230 AromaticContact CG-CD2 3.76Å; H52-F230 AromaticContact CG-CE2 3.21Å; H52-F230 AromaticContact CG-CZ 3.54Å; H52-F230 AromaticContact ND1-CD1 3.82Å; H52-F230 AromaticContact ND1-CD2 3.5Å; H52-F230 AromaticContact ND1-CE1 3.47Å; H52-F230 WeakPolarHBondContact ND1-CE1 3.24Å; H52-F230 AromaticContact ND1-CE2 3.15Å; H52-F230 WeakPolarHBondContact ND1-CE2 3.41Å; H52-F230 AromaticContact ND1-CG 3.82Å; H52-F230 AromaticContact ND1-CZ 3.13Å; H52-F230 WeakPolarHBondContact ND1-CZ 3.16Å; H52-F230 AromaticContact NE2-CZ 3.54Å
53C98.4Very high90.7Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-110.6137.6-176.9-62.70000110.7A17 V19 F56 G105 N182A17-C53 CarbonylContact O-C 3.37Å; A17-C53 WeakPolarHBondContact O-CA 3.45Å; V19-C53 HydrophobicContact CG1-CB 4.38Å; V19-C53 HydrophobicContact CG2-CB 3.83Å; C53-F56 HydrophobicContact CB-CD2 3.67Å; C53-F56 HydrophobicContact CB-CE2 4.39Å; C53-G105 PolarHBondContact N-O 3Å; C53-G105 PolarHBondContact O-N 2.86Å; C53-N182 PolarHBondContact N-ND2 3.1Å; C53-N182 PolarHBondContact O-ND2 3.17Å; C53-N182 VanDerWaalsContact O-ND2 3.07Å
54Q97.6Very high89.7Confident0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.6155.6170.7-55.177.441.700109.9T16 A17 N18 V19 H52 F56 L104 N182 H184 D232T16-Q54 PolarHBondContact OG1-NE2 3.45Å; T16-Q54 PolarHBondContact OG1-OE1 2.92Å; A17-Q54 PolarHBondContact O-N 3.15Å; A17-Q54 PolarHBondContact O-OE1 3.15Å; N18-Q54 HydrophobicContact CB-CB 4.36Å; N18-Q54 VanDerWaalsContact N-OE1 3.17Å; V19-Q54 VanDerWaalsContact CG2-O 3.24Å; V19-Q54 WeakPolarHBondContact CG2-O 3Å; V19-Q54 PolarHBondContact N-O 3.01Å; H52-Q54 PolarHBondContact O-NE2 3.18Å; Q54-F56 PolarHBondContact O-N 3.16Å; Q54-L104 HydrophobicContact CB-CD2 4.33Å; Q54-L104 HydrophobicContact CG-CD2 3.9Å; Q54-N182 PolarHBondContact NE2-OD1 3.02Å; Q54-H184 HydrophobicContact CB-CB 4.3Å; Q54-H184 HydrophobicContact CG-CB 3.84Å; Q54-D232 HydrophobicContact CB-CB 4.31Å; Q54-D232 HydrophobicContact CG-CB 3.94Å
55E94.6Very high88.5Confident30 Ų3033.2 Ų33.214%0.1417%0.166CC..SBendtrans5534.1-173.4-52.1-148.7-160.500113N18 G57 G58 A103 R163 H184N18-E55 WeakPolarHBondContact OD1-CB 3.29Å; N18-E55 WeakPolarHBondContact OD1-CG 3.35Å; E55-G57 PolarHBondContact O-N 3.37Å; E55-G58 PolarHBondContact O-N 3.07Å; E55-A103 PolarHBondContact N-O 3.41Å; E55-R163 IonicContact OE2-CZ 3.11Å; E55-R163 IonicContact OE2-NH1 3.15Å; E55-R163 PolarHBondContact OE2-NH1 3.19Å; E55-R163 IonicContact OE2-NH2 2.79Å; E55-R163 PolarHBondContact OE2-NH2 3.46Å; E55-H184 VanDerWaalsContact CG-CE1 3.5Å; E55-H184 WeakPolarHBondContact CG-CE1 3.38Å; E55-H184 IonicContact OE1-CE1 2.71Å
56F91Very high87.5Confident3 Ų330.6 Ų30.61%0.01316%0.164CC..THydrogen-bonded Turntrans-63.7123178.5-160.4-96.8000109.5V19 F23 C53 Q54 Y61 V68 F71 V72 L91 A103 F107V19-F56 HydrophobicContact CG2-CD2 3.91Å; F23-F56 HydrophobicContact CE2-CD2 4.44Å; F23-F56 HydrophobicContact CZ-CD2 4.06Å; F23-F56 AromaticContact CZ-CE2 3.93Å; F23-F56 HydrophobicContact CZ-CE2 3.93Å; F23-F56 HydrophobicContact CZ-CZ 4.32Å; C53-F56 HydrophobicContact CB-CD2 3.67Å; C53-F56 HydrophobicContact CB-CE2 4.39Å; Q54-F56 PolarHBondContact O-N 3.16Å; F56-Y61 WeakPolarHBondContact O-CE1 3.31Å; F56-V68 HydrophobicContact CD1-CG1 4.21Å; F56-V68 HydrophobicContact CE1-CG1 3.26Å; F56-V68 HydrophobicContact CZ-CG1 3.69Å; F56-F71 AromaticContact CE2-CD1 3.97Å; F56-F71 HydrophobicContact CE2-CD1 3.97Å; F56-F71 HydrophobicContact CE2-CE1 4.06Å; F56-F71 HydrophobicContact CZ-CD1 4.28Å; F56-V72 HydrophobicContact CZ-CG2 4.01Å; F56-L91 HydrophobicContact CD1-CB 4.43Å; F56-L91 HydrophobicContact CD1-CD2 4.15Å; F56-L91 HydrophobicContact CE1-CB 4.16Å; F56-L91 HydrophobicContact CE1-CD1 3.98Å; F56-L91 HydrophobicContact CE1-CD2 3.54Å; F56-L91 HydrophobicContact CE1-CG 4.08Å; F56-L91 HydrophobicContact CE2-CD2 4.43Å; F56-L91 HydrophobicContact CZ-CD1 4.39Å; F56-L91 HydrophobicContact CZ-CD2 3.72Å; F56-A103 WeakPolarHBondContact CB-O 3.41Å; F56-A103 PolarHBondContact N-O 2.92Å; F56-F107 HydrophobicContact CD2-CE2 4.33Å; F56-F107 AromaticContact CE2-CE2 3.63Å; F56-F107 HydrophobicContact CE2-CE2 3.63Å; F56-F107 AromaticContact CE2-CZ 3.62Å; F56-F107 HydrophobicContact CE2-CZ 3.62Å; F56-F107 HydrophobicContact CZ-CE2 4.04Å; F56-F107 AromaticContact CZ-CZ 3.61Å; F56-F107 HydrophobicContact CZ-CZ 3.61Å
57G86.6Confident86.8Confident0 Ų033.4 Ų33.40%018%0.177CC..THydrogen-bonded Turntrans100.60.8-170.600000115.5F23 E55 Y61 S64 M65F23-G57 VanDerWaalsContact CE2-N 3.27Å; E55-G57 PolarHBondContact O-N 3.37Å; G57-Y61 WeakPolarHBondContact O-CD1 3.37Å; G57-S64 VanDerWaalsContact O-CB 3.24Å; G57-S64 WeakPolarHBondContact O-CB 3.47Å; G57-M65 VanDerWaalsContact CA-CE 3.49Å
58G85Confident86.3Confident0 Ų031.3 Ų31.30%017%0.167CC..  trans86.4178169.600000114.4G20 E55 N60 Y61G20-G58 WeakPolarHBondContact O-CA 3.34Å; E55-G58 PolarHBondContact O-N 3.07Å; G58-N60 VanDerWaalsContact C-N 3.27Å; G58-Y61 WeakPolarHBondContact O-CE1 3.27Å; G58-Y61 PolarHBondContact O-OH 3.15Å
59K80.5Confident85.8Confident89 Ų8936.6 Ų36.639%0.38720%0.196SC..SBendtrans-73.3-24.4176-64.9171.9-177.1170.60111.1E331 D384K59-E331 IonicContact NZ-OE1 2.69Å; K59-E331 PolarHBondContact NZ-OE1 3.48Å; K59-E331 IonicContact NZ-OE2 3.3Å; K59-E331 PolarHBondContact NZ-OE2 2.79Å; K59-D384 IonicContact NZ-OD2 3.23Å; K59-D384 PolarHBondContact NZ-OD2 3.43Å
60N79.3Confident85.3Confident92 Ų9240.3 Ų40.349%0.49221%0.212SC..SBendtrans-128.192.5177-171.1-1.9000112.8G58 E62 A63 S64G58-N60 VanDerWaalsContact C-N 3.27Å; N60-E62 PolarHBondContact O-N 3.35Å; N60-A63 PolarHBondContact O-N 3.43Å; N60-S64 VanDerWaalsContact O-CB 3.22Å; N60-S64 WeakPolarHBondContact O-CB 2.92Å; N60-S64 PolarHBondContact O-N 3.03Å; N60-S64 PolarHBondContact O-OG 3.34Å
61Y72Confident85Confident28 Ų2840.3 Ų40.311%0.1121%0.212CC..Hα-helixtrans-60.3-46-171.1-63.9-77.2000115.1F56 G57 G58 A63 S64 M65 F101 A103 R163F56-Y61 WeakPolarHBondContact O-CE1 3.31Å; G57-Y61 WeakPolarHBondContact O-CD1 3.37Å; G58-Y61 WeakPolarHBondContact O-CE1 3.27Å; G58-Y61 PolarHBondContact O-OH 3.15Å; Y61-A63 PolarHBondContact O-N 2.92Å; Y61-S64 PolarHBondContact O-N 3.42Å; Y61-S64 VanDerWaalsContact O-N 3.08Å; Y61-M65 HydrophobicContact CD1-CE 3.82Å; Y61-M65 WeakPolarHBondContact O-CG 3.4Å; Y61-M65 PolarHBondContact O-N 3Å; Y61-F101 HydrophobicContact CD1-CZ 4.09Å; Y61-F101 HydrophobicContact CE1-CE1 4.27Å; Y61-F101 AromaticContact CE1-CZ 3.79Å; Y61-F101 HydrophobicContact CE1-CZ 3.79Å; Y61-F101 HydrophobicContact CE2-CE1 4.2Å; Y61-A103 HydrophobicContact CE1-CB 4.1Å; Y61-A103 WeakPolarHBondContact OH-CB 3.47Å; Y61-R163 WeakPolarHBondContact OH-CD 3.22Å; Y61-R163 PolarHBondContact OH-NE 2.91Å; Y61-R163 PolarHBondContact OH-NH1 2.79Å
62E70.8Confident84.8Confident159 Ų15940.7 Ų40.774%0.74321%0.214SC*.Hα-helixtrans-61.6-33.7-174.1-65.1-176.4169.900112N60N60-E62 PolarHBondContact O-N 3.35Å
63A73.5Confident84.5Confident64 Ų6447.8 Ų47.853%0.52925%0.245SC..Hα-helixtrans-82.8-28.1177.300000113.1N60 Y61N60-A63 PolarHBondContact O-N 3.43Å; Y61-A63 PolarHBondContact O-N 2.92Å
64S75.4Confident84.3Confident5 Ų551.1 Ų51.14%0.03526%0.261CS..Hα-helixtrans-99.6-12.3-163.2-59.80000115.1G57 N60 Y61 S66 H67 V68G57-S64 VanDerWaalsContact O-CB 3.24Å; G57-S64 WeakPolarHBondContact O-CB 3.47Å; N60-S64 VanDerWaalsContact O-CB 3.22Å; N60-S64 WeakPolarHBondContact O-CB 2.92Å; N60-S64 PolarHBondContact O-N 3.03Å; N60-S64 PolarHBondContact O-OG 3.34Å; Y61-S64 PolarHBondContact O-N 3.42Å; Y61-S64 VanDerWaalsContact O-N 3.08Å; S64-S66 PolarHBondContact O-N 3.12Å; S64-S66 VanDerWaalsContact O-N 3.17Å; S64-H67 WeakPolarHBondContact O-CB 3.43Å; S64-H67 PolarHBondContact O-N 3.43Å; S64-V68 PolarHBondContact O-N 3.4Å
65M71.8Confident84.2Confident47 Ų4751.1 Ų51.123%0.23226%0.261CS..Hα-helixtrans-55.4-36.3-177.3-73.1-59.193.400113.5G57 Y61 H67 V68G57-M65 VanDerWaalsContact CA-CE 3.49Å; Y61-M65 HydrophobicContact CD1-CE 3.82Å; Y61-M65 WeakPolarHBondContact O-CG 3.4Å; Y61-M65 PolarHBondContact O-N 3Å; M65-H67 PolarHBondContact O-N 3Å; M65-V68 HydrophobicContact CE-CG2 3.91Å; M65-V68 WeakPolarHBondContact O-CB 3.18Å; M65-V68 PolarHBondContact O-N 3.01Å; M65-V68 VanDerWaalsContact O-N 3.11Å
66S73.4Confident84.3Confident79 Ų7950.4 Ų50.455%0.55226%0.258SS*.Hα-helixtrans-63.6-27.1177.671.60000113.6S64S64-S66 PolarHBondContact O-N 3.12Å; S64-S66 VanDerWaalsContact O-N 3.17Å
67H83.4Confident84.3Confident60 Ų6054.2 Ų54.228%0.27829%0.285SS..Hα-helixtrans-80.2-23.6177.5-56.8-45.4000112.4F23 P26 S64 M65 F71F23-H67 HydrophobicContact CD1-CB 4.19Å; F23-H67 PolarHBondContact O-CD2 2.86Å; P26-H67 HydrophobicContact CG-CB 4.13Å; S64-H67 WeakPolarHBondContact O-CB 3.43Å; S64-H67 PolarHBondContact O-N 3.43Å; M65-H67 PolarHBondContact O-N 3Å; H67-F71 PolarHBondContact O-N 2.76Å
68V85.7Confident84.7Confident1 Ų155.4 Ų55.41%0.00629%0.293CS..Hα-helixtrans-65-49.3175.4177.30000111F23 F56 S64 M65 K70 F71 V72 E93F23-V68 HydrophobicContact CD1-CG2 3.97Å; F23-V68 HydrophobicContact CE1-CB 4.35Å; F23-V68 HydrophobicContact CE1-CG2 3.79Å; F23-V68 HydrophobicContact CZ-CG2 4.25Å; F56-V68 HydrophobicContact CD1-CG1 4.21Å; F56-V68 HydrophobicContact CE1-CG1 3.26Å; F56-V68 HydrophobicContact CZ-CG1 3.69Å; S64-V68 PolarHBondContact O-N 3.4Å; M65-V68 HydrophobicContact CE-CG2 3.91Å; M65-V68 WeakPolarHBondContact O-CB 3.18Å; M65-V68 PolarHBondContact O-N 3.01Å; M65-V68 VanDerWaalsContact O-N 3.11Å; V68-K70 VanDerWaalsContact C-N 3.28Å; V68-K70 PolarHBondContact O-N 3.37Å; V68-F71 WeakPolarHBondContact O-CB 3.48Å; V68-F71 PolarHBondContact O-N 2.89Å; V68-F71 VanDerWaalsContact O-N 3.11Å; V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.04Å; V68-E93 VanDerWaalsContact CG1-OE1 3.3Å; V68-E93 WeakPolarHBondContact CG1-OE1 3.38Å
69D86.8Confident85.2Confident111 Ų11162.1 Ų62.159%0.59433%0.329SS*.Hα-helixtrans-58.6-41.3178.3-76-24.5000112V72 K73D69-V72 PolarHBondContact O-N 3.5Å; D69-K73 VanDerWaalsContact O-CB 3.23Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 PolarHBondContact O-N 3.13Å
70K89.5Confident85.8Confident78 Ų7860.1 Ų60.134%0.33933%0.329SS..Hα-helixtrans-61.2-48.1175.7-172.4-175.4175.7-167.10110.7E27 V68 V72 K73 E74E27-K70 IonicContact OE1-NZ 2.85Å; V68-K70 VanDerWaalsContact C-N 3.28Å; V68-K70 PolarHBondContact O-N 3.37Å; K70-V72 PolarHBondContact O-N 2.97Å; K70-K73 PolarHBondContact O-N 3.46Å; K70-E74 WeakPolarHBondContact CE-OE1 3.48Å; K70-E74 WeakPolarHBondContact O-CB 3.08Å; K70-E74 WeakPolarHBondContact O-CG 3.38Å; K70-E74 PolarHBondContact O-N 3.35Å
71F92.6Very high86.7Confident0 Ų055.8 Ų55.80%031%0.306CS..Hα-helixtrans-58-49.9177.8-173.4-115.7000112.4L22 F23 Q30 W33 L34 F56 H67 V68 K73 E74 L75L22-F71 HydrophobicContact CD1-CE2 4.35Å; L22-F71 HydrophobicContact CD1-CZ 4.48Å; F23-F71 HydrophobicContact CE1-CB 4.09Å; F23-F71 HydrophobicContact CE1-CD1 4.35Å; F23-F71 HydrophobicContact CE1-CG 4.29Å; F23-F71 HydrophobicContact CZ-CD1 4.34Å; Q30-F71 HydrophobicContact CG-CD2 3.97Å; Q30-F71 VanDerWaalsContact NE2-CB 3.32Å; W33-F71 AromaticContact CE3-CE2 3.92Å; W33-F71 HydrophobicContact CE3-CE2 3.92Å; W33-F71 HydrophobicContact CE3-CZ 4.04Å; W33-F71 HydrophobicContact CH2-CZ 4.17Å; W33-F71 AromaticContact CZ3-CE2 3.97Å; W33-F71 HydrophobicContact CZ3-CE2 3.97Å; W33-F71 AromaticContact CZ3-CZ 3.71Å; W33-F71 HydrophobicContact CZ3-CZ 3.71Å; L34-F71 HydrophobicContact CD1-CD2 4.41Å; L34-F71 HydrophobicContact CD2-CD2 4.2Å; L34-F71 HydrophobicContact CD2-CE2 3.71Å; L34-F71 HydrophobicContact CG-CD2 4.46Å; L34-F71 HydrophobicContact CG-CE2 4.1Å; F56-F71 AromaticContact CE2-CD1 3.97Å; F56-F71 HydrophobicContact CE2-CD1 3.97Å; F56-F71 HydrophobicContact CE2-CE1 4.06Å; F56-F71 HydrophobicContact CZ-CD1 4.28Å; H67-F71 PolarHBondContact O-N 2.76Å; V68-F71 WeakPolarHBondContact O-CB 3.48Å; V68-F71 PolarHBondContact O-N 2.89Å; V68-F71 VanDerWaalsContact O-N 3.11Å; F71-K73 VanDerWaalsContact C-N 3.33Å; F71-K73 PolarHBondContact O-N 2.92Å; F71-E74 PolarHBondContact O-N 2.89Å; F71-L75 HydrophobicContact CD1-CD1 3.87Å; F71-L75 HydrophobicContact CE1-CD1 3.38Å; F71-L75 HydrophobicContact CE1-CG 4.34Å; F71-L75 HydrophobicContact CE2-CD1 4.27Å; F71-L75 HydrophobicContact CE2-CG 4.44Å; F71-L75 HydrophobicContact CG-CD1 4.5Å; F71-L75 HydrophobicContact CZ-CD1 3.63Å; F71-L75 HydrophobicContact CZ-CG 4.24Å; F71-L75 PolarHBondContact O-N 2.75Å
72V94.3Very high87.8Confident9 Ų961.6 Ų61.66%0.05533%0.332CS..Hα-helixtrans-61-44.2179.8173.60000110.4F56 V68 D69 K70 L75 L76 L91 F107 I135F56-V72 HydrophobicContact CZ-CG2 4.01Å; V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.04Å; D69-V72 PolarHBondContact O-N 3.5Å; K70-V72 PolarHBondContact O-N 2.97Å; V72-L75 PolarHBondContact O-N 3.28Å; V72-L76 HydrophobicContact CG1-CD1 3.7Å; V72-L76 HydrophobicContact CG1-CG 4.48Å; V72-L76 WeakPolarHBondContact O-CB 3.48Å; V72-L76 VanDerWaalsContact O-CG 3.32Å; V72-L76 WeakPolarHBondContact O-CG 3.32Å; V72-L76 PolarHBondContact O-N 3Å; V72-L91 HydrophobicContact CG2-CD1 3.7Å; V72-F107 HydrophobicContact CG1-CE1 4.43Å; V72-F107 HydrophobicContact CG2-CE1 4.02Å; V72-F107 HydrophobicContact CG2-CZ 4.06Å; V72-I135 HydrophobicContact CG1-CD1 4.02Å
73K93.3Very high89.1Confident149 Ų14958.5 Ų58.565%0.64832%0.317SS*.Hα-helixtrans-62.5-44177.8-175.9179.6179.8-178.80112D69 K70 F71 L76 S77D69-K73 VanDerWaalsContact O-CB 3.23Å; D69-K73 WeakPolarHBondContact O-CB 3.45Å; D69-K73 PolarHBondContact O-N 3.13Å; K70-K73 PolarHBondContact O-N 3.46Å; F71-K73 VanDerWaalsContact C-N 3.33Å; F71-K73 PolarHBondContact O-N 2.92Å; K73-L76 PolarHBondContact O-N 3.06Å; K73-S77 WeakPolarHBondContact O-CB 3.48Å; K73-S77 PolarHBondContact O-N 3.41Å; K73-S77 PolarHBondContact O-OG 2.78Å
74E93.7Very high90.2Very high70 Ų7055.8 Ų55.833%0.32729%0.293SS..Hα-helixtrans-63.7-45.9178.7-76.2-178.9-172.700111.3L34 Y38 K70 F71 L76 S77 S78L34-E74 HydrophobicContact CD1-CB 4.18Å; L34-E74 WeakPolarHBondContact CD1-OE2 3.45Å; Y38-E74 PolarHBondContact OH-O 3.01Å; Y38-E74 VanDerWaalsContact OH-O 3.12Å; K70-E74 WeakPolarHBondContact CE-OE1 3.48Å; K70-E74 WeakPolarHBondContact O-CB 3.08Å; K70-E74 WeakPolarHBondContact O-CG 3.38Å; K70-E74 PolarHBondContact O-N 3.35Å; F71-E74 PolarHBondContact O-N 2.89Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3Å; E74-S77 PolarHBondContact O-N 3.38Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 PolarHBondContact O-OG 3Å
75L95.6Very high91.2Very high0 Ų058.7 Ų58.70%031%0.309CS..Hα-helixtrans-60.4-39.7175.2-78.2176.2000113.1W33 L34 F37 Y38 L51 F71 V72 M81 F107 F109W33-L75 HydrophobicContact CZ3-CD2 4.43Å; L34-L75 HydrophobicContact CD2-CD2 3.63Å; L34-L75 HydrophobicContact CD2-CG 4.01Å; F37-L75 HydrophobicContact CD1-CD2 4.05Å; F37-L75 HydrophobicContact CE1-CD2 3.79Å; Y38-L75 HydrophobicContact CE1-CD2 4.34Å; L51-L75 HydrophobicContact CD2-CD1 4.11Å; F71-L75 HydrophobicContact CD1-CD1 3.87Å; F71-L75 HydrophobicContact CE1-CD1 3.38Å; F71-L75 HydrophobicContact CE1-CG 4.34Å; F71-L75 HydrophobicContact CE2-CD1 4.27Å; F71-L75 HydrophobicContact CE2-CG 4.44Å; F71-L75 HydrophobicContact CG-CD1 4.5Å; F71-L75 HydrophobicContact CZ-CD1 3.63Å; F71-L75 HydrophobicContact CZ-CG 4.24Å; F71-L75 PolarHBondContact O-N 2.75Å; V72-L75 PolarHBondContact O-N 3.28Å; L75-M81 WeakPolarHBondContact O-CB 3.34Å; L75-M81 WeakPolarHBondContact O-CG 3.45Å; L75-F107 HydrophobicContact CD1-CD1 4.16Å; L75-F107 HydrophobicContact CD1-CE1 3.93Å; L75-F107 HydrophobicContact CD1-CZ 4.23Å; L75-F109 HydrophobicContact CB-CZ 4.08Å
76L95.3Very high92.4Very high15 Ų1558.4 Ų58.48%0.07931%0.305CS..Hα-helixtrans-81.1-21.5-176.4-72.7170.5000114.1V72 K73 E74 A87 V89 F109 K133 I135V72-L76 HydrophobicContact CG1-CD1 3.7Å; V72-L76 HydrophobicContact CG1-CG 4.48Å; V72-L76 WeakPolarHBondContact O-CB 3.48Å; V72-L76 VanDerWaalsContact O-CG 3.32Å; V72-L76 WeakPolarHBondContact O-CG 3.32Å; V72-L76 PolarHBondContact O-N 3Å; K73-L76 PolarHBondContact O-N 3.06Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3Å; L76-A87 HydrophobicContact CD2-CB 3.74Å; L76-V89 HydrophobicContact CD2-CG2 4.1Å; L76-F109 HydrophobicContact CD2-CE1 3.84Å; L76-K133 HydrophobicContact CD2-CD 4.33Å; L76-K133 PolarHBondContact O-NZ 2.89Å; L76-I135 HydrophobicContact CD1-CD1 3.5Å; L76-I135 VanDerWaalsContact CD1-CD1 3.5Å; L76-I135 HydrophobicContact CD1-CG1 3.98Å
77S92.7Very high93.6Very high82 Ų8254.7 Ų54.757%0.57328%0.279SS*.Hα-helixtrans-124.3-3-167-41.20000114.4K73 E74K73-S77 WeakPolarHBondContact O-CB 3.48Å; K73-S77 PolarHBondContact O-N 3.41Å; K73-S77 PolarHBondContact O-OG 2.78Å; E74-S77 PolarHBondContact O-N 3.38Å
78S94.7Very high94.3Very high25 Ų2552.4 Ų52.418%0.17527%0.268CS..  trans-64.9152.4178.464.30000112.2Y38 E74 A80 M81 K82Y38-S78 WeakPolarHBondContact CE1-OG 3.42Å; Y38-S78 WeakPolarHBondContact OH-CB 3.47Å; Y38-S78 PolarHBondContact OH-OG 2.82Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 3.05Å; E74-S78 PolarHBondContact O-OG 3Å; S78-A80 PolarHBondContact O-N 2.75Å; S78-M81 CarbonylContact O-C 3.6Å; S78-M81 WeakPolarHBondContact O-CA 3.4Å; S78-M81 PolarHBondContact O-N 3.32Å; S78-M81 VanDerWaalsContact OG-CG 3.27Å; S78-M81 WeakPolarHBondContact OG-CG 3.5Å; S78-K82 PolarHBondContact O-N 2.77Å
79D94.3Very high94.9Very high141 Ų14152.3 Ų52.375%0.75427%0.267SS*.G310 helixtrans-60.6-32.9178.1-73.3-32.9000112.6M81 K82D79-M81 PolarHBondContact O-N 2.77Å; D79-K82 WeakPolarHBondContact O-CD 3.32Å; D79-K82 VanDerWaalsContact O-CG 3.29Å; D79-K82 WeakPolarHBondContact O-CG 3.36Å; D79-K82 PolarHBondContact O-N 2.93Å
80A94.5Very high95.4Very high47 Ų4747 Ų4739%0.38824%0.239SC..G310 helixtrans-62.3-23.9174.800000112.5Y38 S78Y38-A80 HydrophobicContact CD1-CB 3.78Å; Y38-A80 HydrophobicContact CD2-CB 4.27Å; Y38-A80 HydrophobicContact CE1-CB 4.37Å; Y38-A80 HydrophobicContact CG-CB 3.73Å; S78-A80 PolarHBondContact O-N 2.75Å
81M97Very high95.6Very high1 Ų143.5 Ų43.51%0.00522%0.224CC..G310 helixtrans-107.34.7-174.8-64.4-57.4-63.500113.5Y38 V41 M49 L75 S78 D79 E83 Y84 F109Y38-M81 HydrophobicContact CD1-CG 4.24Å; Y38-M81 HydrophobicContact CD1-SD 4.42Å; Y38-M81 HydrophobicContact CE1-CG 3.69Å; Y38-M81 HydrophobicContact CE1-SD 4.31Å; V41-M81 HydrophobicContact CG1-SD 4.08Å; V41-M81 HydrophobicContact CG2-SD 4.42Å; M49-M81 HydrophobicContact CE-CE 3.26Å; M49-M81 HydrophobicContact CE-SD 3.96Å; L75-M81 WeakPolarHBondContact O-CB 3.34Å; L75-M81 WeakPolarHBondContact O-CG 3.45Å; S78-M81 CarbonylContact O-C 3.6Å; S78-M81 WeakPolarHBondContact O-CA 3.4Å; S78-M81 PolarHBondContact O-N 3.32Å; S78-M81 VanDerWaalsContact OG-CG 3.27Å; S78-M81 WeakPolarHBondContact OG-CG 3.5Å; D79-M81 PolarHBondContact O-N 2.77Å; M81-E83 VanDerWaalsContact C-N 3.28Å; M81-E83 PolarHBondContact O-N 2.82Å; M81-Y84 HydrophobicContact CB-CD2 4.44Å; M81-Y84 HydrophobicContact CE-CD1 4.4Å; M81-Y84 HydrophobicContact CE-CD2 3.54Å; M81-Y84 HydrophobicContact CE-CE2 3.98Å; M81-Y84 HydrophobicContact CE-CG 3.78Å; M81-Y84 WeakPolarHBondContact O-CB 3.47Å; M81-Y84 PolarHBondContact O-N 2.79Å; M81-Y84 HydrophobicContact SD-CD2 3.95Å; M81-Y84 HydrophobicContact SD-CE2 4.01Å; M81-F109 HydrophobicContact CE-CB 3.85Å; M81-F109 HydrophobicContact CE-CD1 3.44Å; M81-F109 VanDerWaalsContact CE-CD1 3.44Å; M81-F109 HydrophobicContact CE-CD2 4.07Å; M81-F109 HydrophobicContact CE-CE1 3.91Å; M81-F109 HydrophobicContact CE-CE2 4.46Å; M81-F109 HydrophobicContact CE-CG 3.52Å; M81-F109 HydrophobicContact CE-CZ 4.4Å
82K95.9Very high95.7Very high151 Ų15143.6 Ų43.666%0.65722%0.224SC*.THydrogen-bonded Turntrans-59.4-33-172.773-172.3177.7-177.80114.6S78 D79 Y84S78-K82 PolarHBondContact O-N 2.77Å; D79-K82 WeakPolarHBondContact O-CD 3.32Å; D79-K82 VanDerWaalsContact O-CG 3.29Å; D79-K82 WeakPolarHBondContact O-CG 3.36Å; D79-K82 PolarHBondContact O-N 2.93Å; K82-Y84 PolarHBondContact O-N 2.89Å
83E97.1Very high95.3Very high93 Ų9345 Ų4544%0.43523%0.23SC..THydrogen-bonded Turntrans-78.2-11-179.2-60177.4111.800112.4M81 N85 H111 E112M81-E83 VanDerWaalsContact C-N 3.28Å; M81-E83 PolarHBondContact O-N 2.82Å; E83-N85 VanDerWaalsContact C-N 3.33Å; E83-N85 PolarHBondContact O-N 2.91Å; E83-N85 VanDerWaalsContact O-N 3.13Å; E83-H111 VanDerWaalsContact CB-NE2 3.31Å; E83-H111 WeakPolarHBondContact CB-NE2 3.47Å; E83-H111 IonicContact OE1-NE2 3.83Å; E83-H111 IonicContact OE2-NE2 3.84Å; E83-E112 PolarHBondContact O-N 3.09Å
84Y97.8Very high95Very high8 Ų840.1 Ų40.13%0.03121%0.211CC..  trans-8773.9173.8-58.6-92000110V41 P46 M81 K82 R86 F109 L110 H111 K133V41-Y84 HydrophobicContact CG1-CE2 4.03Å; P46-Y84 WeakPolarHBondContact CD-OH 3.14Å; P46-Y84 WeakPolarHBondContact CG-OH 3.21Å; P46-Y84 VanDerWaalsContact O-CE1 3.25Å; P46-Y84 WeakPolarHBondContact O-CE1 3.25Å; P46-Y84 PolarHBondContact O-OH 2.96Å; M81-Y84 HydrophobicContact CB-CD2 4.44Å; M81-Y84 HydrophobicContact CE-CD1 4.4Å; M81-Y84 HydrophobicContact CE-CD2 3.54Å; M81-Y84 HydrophobicContact CE-CE2 3.98Å; M81-Y84 HydrophobicContact CE-CG 3.78Å; M81-Y84 WeakPolarHBondContact O-CB 3.47Å; M81-Y84 PolarHBondContact O-N 2.79Å; M81-Y84 HydrophobicContact SD-CD2 3.95Å; M81-Y84 HydrophobicContact SD-CE2 4.01Å; K82-Y84 PolarHBondContact O-N 2.89Å; Y84-R86 PolarHBondContact O-N 3.03Å; Y84-F109 HydrophobicContact CD1-CB 3.71Å; Y84-F109 HydrophobicContact CE1-CB 4.47Å; Y84-F109 HydrophobicContact CG-CB 4.05Å; Y84-L110 WeakPolarHBondContact CA-O 3.41Å; Y84-H111 HydrophobicContact CD1-CB 4.09Å; Y84-H111 HydrophobicContact CE1-CB 3.96Å; Y84-K133 WeakPolarHBondContact O-CE 3.39Å; Y84-K133 PolarHBondContact O-NZ 2.83Å
85N95.8Very high94.5Very high66 Ų6641 Ų4135%0.35321%0.212SC..  trans-74.8-4.3-176.569.56.1000114.6E83 E112E83-N85 VanDerWaalsContact C-N 3.33Å; E83-N85 PolarHBondContact O-N 2.91Å; E83-N85 VanDerWaalsContact O-N 3.13Å; N85-E112 VanDerWaalsContact ND2-CB 3.31Å; N85-E112 WeakPolarHBondContact ND2-CB 3.36Å
86R97.5Very high94Very high41 Ų4148.8 Ų48.816%0.15525%0.246CC..EExtended strand (participates in β ladder)trans-126.8138176.5-72.8165.7-66.4-111.710.5110Y84 L110 H111 E112 L114 G132Y84-R86 PolarHBondContact O-N 3.03Å; R86-L110 HydrophobicContact CB-CB 3.9Å; R86-L110 HydrophobicContact CB-CD1 4.32Å; R86-L110 PolarHBondContact O-N 3Å; R86-H111 PolarHBondContact NH2-O 2.94Å; R86-E112 VanDerWaalsContact NH2-C 3.32Å; R86-E112 PolarHBondContact NH2-O 3.3Å; R86-L114 PolarHBondContact NH2-O 2.77Å; R86-G132 WeakPolarHBondContact CA-O 3.4Å
87A97.9Very high93.6Very high0 Ų049.4 Ų49.40%025%0.252CS..EExtended strand (participates in β ladder)trans-147.7149.617700000112.5L76 Y108 F109 G132 K133 E134L76-A87 HydrophobicContact CD2-CB 3.74Å; A87-Y108 CarbonylContact C-O 3.55Å; A87-Y108 WeakPolarHBondContact CA-O 3.36Å; A87-F109 HydrophobicContact CB-CD1 4.39Å; A87-G132 PolarHBondContact N-O 2.75Å; A87-K133 HydrophobicContact CB-CB 4.1Å; A87-K133 HydrophobicContact CB-CD 4.45Å; A87-K133 HydrophobicContact CB-CG 3.83Å; A87-K133 WeakPolarHBondContact O-CA 3.35Å; A87-E134 PolarHBondContact O-N 3.04Å
88R97.9Very high93.2Very high12 Ų1250.6 Ų50.65%0.04525%0.248CC..EExtended strand (participates in β ladder)trans-126.5122.9163.8-66.9-64.9177.8-88.715108.1Y90 Y108 V130 A131 G132 E134 W171R88-Y90 HydrophobicContact CB-CE2 3.85Å; R88-Y108 HydrophobicContact CB-CD2 4.2Å; R88-Y108 PolarHBondContact N-O 3.36Å; R88-Y108 WeakPolarHBondContact O-CD2 3.49Å; R88-Y108 PolarHBondContact O-N 2.93Å; R88-V130 HydrophobicContact CG-CG1 4.24Å; R88-A131 PolarHBondContact NH1-O 3.03Å; R88-A131 PolarHBondContact NH2-O 2.81Å; R88-G132 PolarHBondContact NH1-O 3.09Å; R88-E134 WeakPolarHBondContact CA-O 3.12Å; R88-E134 IonicContact CZ-OE2 3.87Å; R88-E134 IonicContact NE-OE2 2.89Å; R88-E134 PolarHBondContact NE-OE2 2.73Å; R88-E134 IonicContact NH1-OE2 2.75Å; R88-E134 IonicContact NH2-OE1 3.81Å; R88-E134 IonicContact NH2-OE2 3.73Å; R88-E134 PolarHBondContact NH2-OE2 2.86Å; R88-W171 HydrophobicContact CB-CH2 3.96Å; R88-W171 HydrophobicContact CB-CZ2 4.3Å; R88-W171 HydrophobicContact CG-CH2 3.76Å; R88-W171 HydrophobicContact CG-CZ2 4.48Å
89V97.9Very high92.7Very high0 Ų056.7 Ų56.70%027%0.274CS..EExtended strand (participates in β ladder)trans-123.2126.3-178.5-177.80000108.3L76 L91 S106 F107 E134 I135 Y136L76-V89 HydrophobicContact CD2-CG2 4.1Å; V89-L91 HydrophobicContact CG1-CD1 4.05Å; V89-L91 HydrophobicContact CG1-CD2 3.46Å; V89-L91 VanDerWaalsContact CG1-CD2 3.46Å; V89-L91 HydrophobicContact CG1-CG 3.72Å; V89-S106 CarbonylContact C-O 3.54Å; V89-S106 WeakPolarHBondContact CA-O 3.36Å; V89-F107 HydrophobicContact CB-CD1 4.25Å; V89-F107 HydrophobicContact CG1-CD1 3.56Å; V89-F107 HydrophobicContact CG1-CE1 3.47Å; V89-F107 VanDerWaalsContact CG1-CE1 3.47Å; V89-F107 HydrophobicContact CG1-CG 4.23Å; V89-F107 HydrophobicContact CG1-CZ 4.08Å; V89-F107 HydrophobicContact CG2-CD1 3.72Å; V89-F107 HydrophobicContact CG2-CE1 4.29Å; V89-F107 HydrophobicContact CG2-CG 4.49Å; V89-E134 PolarHBondContact N-O 2.95Å; V89-I135 HydrophobicContact CB-CB 4.37Å; V89-I135 HydrophobicContact CB-CG1 4.19Å; V89-I135 HydrophobicContact CB-CG2 4.19Å; V89-I135 HydrophobicContact CG1-CG2 4.17Å; V89-I135 HydrophobicContact CG2-CG1 4.42Å; V89-I135 CarbonylContact O-C 3.56Å; V89-Y136 PolarHBondContact O-N 3.3Å
90Y97.7Very high92.5Very high0 Ų054.3 Ų54.30%026%0.258CS..EExtended strand (participates in β ladder)trans-123.6114.3178-56.9-78.8000108.9R88 G105 S106 Y108 Q119 Y136 L140 T143 M145 L146 T169R88-Y90 HydrophobicContact CB-CE2 3.85Å; Y90-G105 CarbonylContact O-C 3.56Å; Y90-G105 WeakPolarHBondContact O-CA 3.49Å; Y90-S106 PolarHBondContact N-O 3.06Å; Y90-S106 PolarHBondContact O-N 3.36Å; Y90-Y108 HydrophobicContact CD2-CD2 4.1Å; Y90-Y108 AromaticContact CD2-CE2 3.75Å; Y90-Y108 HydrophobicContact CD2-CE2 3.75Å; Y90-Y108 AromaticContact CE2-CD2 3.99Å; Y90-Y108 HydrophobicContact CE2-CD2 3.99Å; Y90-Y108 AromaticContact CE2-CE2 3.88Å; Y90-Y108 HydrophobicContact CE2-CE2 3.88Å; Y90-Q119 PolarHBondContact OH-NE2 3.5Å; Y90-Q119 PolarHBondContact OH-OE1 2.9Å; Y90-Y136 CarbonylContact C-O 3.56Å; Y90-Y136 WeakPolarHBondContact CA-O 3.46Å; Y90-Y136 AromaticContact CD1-CD2 3.66Å; Y90-Y136 HydrophobicContact CD1-CD2 3.66Å; Y90-Y136 AromaticContact CD1-CG 3.92Å; Y90-Y136 HydrophobicContact CD1-CG 3.92Å; Y90-Y136 AromaticContact CE1-CD2 3.29Å; Y90-Y136 HydrophobicContact CE1-CD2 3.29Å; Y90-Y136 AromaticContact CE1-CE2 3.73Å; Y90-Y136 HydrophobicContact CE1-CE2 3.73Å; Y90-Y136 AromaticContact CE1-CG 3.82Å; Y90-Y136 HydrophobicContact CE1-CG 3.82Å; Y90-L140 HydrophobicContact CD1-CD2 4.27Å; Y90-T143 HydrophobicContact CE1-CG2 4.44Å; Y90-M145 HydrophobicContact CE1-CB 4.47Å; Y90-L146 HydrophobicContact CD1-CD2 3.37Å; Y90-L146 HydrophobicContact CD2-CD2 4.32Å; Y90-L146 HydrophobicContact CE1-CD2 3.92Å; Y90-L146 HydrophobicContact CG-CD2 3.6Å; Y90-T169 HydrophobicContact CD2-CG2 4.46Å; Y90-T169 HydrophobicContact CE2-CG2 4.24Å
91L95.3Very high92.4Very high3 Ų352.8 Ų52.82%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-120.1116.7-175.3-47.2177.5000107.6F56 V72 V89 E93 F107 I135 Y136 S137F56-L91 HydrophobicContact CD1-CB 4.43Å; F56-L91 HydrophobicContact CD1-CD2 4.15Å; F56-L91 HydrophobicContact CE1-CB 4.16Å; F56-L91 HydrophobicContact CE1-CD1 3.98Å; F56-L91 HydrophobicContact CE1-CD2 3.54Å; F56-L91 HydrophobicContact CE1-CG 4.08Å; F56-L91 HydrophobicContact CE2-CD2 4.43Å; F56-L91 HydrophobicContact CZ-CD1 4.39Å; F56-L91 HydrophobicContact CZ-CD2 3.72Å; V72-L91 HydrophobicContact CG2-CD1 3.7Å; V89-L91 HydrophobicContact CG1-CD1 4.05Å; V89-L91 HydrophobicContact CG1-CD2 3.46Å; V89-L91 VanDerWaalsContact CG1-CD2 3.46Å; V89-L91 HydrophobicContact CG1-CG 3.72Å; L91-E93 HydrophobicContact CB-CG 3.86Å; L91-E93 WeakPolarHBondContact CB-OE1 3.27Å; L91-E93 VanDerWaalsContact CD1-OE1 3.25Å; L91-E93 WeakPolarHBondContact CD1-OE1 3.38Å; L91-E93 PolarHBondContact O-N 2.83Å; L91-F107 HydrophobicContact CD2-CE1 4.2Å; L91-F107 HydrophobicContact CD2-CE2 3.89Å; L91-F107 HydrophobicContact CD2-CZ 3.57Å; L91-I135 HydrophobicContact CD1-CG2 4.2Å; L91-Y136 PolarHBondContact N-O 2.79Å; L91-S137 WeakPolarHBondContact O-CA 3.37Å
92D93.2Very high92.2Very high2 Ų252.7 Ų52.71%0.01124%0.242CC..  trans-8588.6174.2-166.921000108.8F101 T102 L104 L140 K148D92-F101 WeakPolarHBondContact O-CE2 3.31Å; D92-T102 WeakPolarHBondContact OD2-CA 3.23Å; D92-T102 WeakPolarHBondContact OD2-CB 3.15Å; D92-T102 PolarHBondContact OD2-N 3.22Å; D92-T102 PolarHBondContact OD2-OG1 2.92Å; D92-L104 PolarHBondContact N-O 3.36Å; D92-L140 HydrophobicContact CB-CD1 3.79Å; D92-K148 HydrophobicContact CB-CD 4.42Å; D92-K148 IonicContact OD1-NZ 3.71Å; D92-K148 PolarHBondContact OD1-NZ 2.91Å; D92-K148 IonicContact OD2-NZ 3.36Å; D92-K148 PolarHBondContact OD2-NZ 3.14Å
93E87.4Confident92.1Very high40 Ų4045.5 Ų45.519%0.18721%0.211CC..  trans-104.8-0.5-174.5-66.9176.4176.200113V68 L91 Y95 S137V68-E93 VanDerWaalsContact CG1-OE1 3.3Å; V68-E93 WeakPolarHBondContact CG1-OE1 3.38Å; L91-E93 HydrophobicContact CB-CG 3.86Å; L91-E93 WeakPolarHBondContact CB-OE1 3.27Å; L91-E93 VanDerWaalsContact CD1-OE1 3.25Å; L91-E93 WeakPolarHBondContact CD1-OE1 3.38Å; L91-E93 PolarHBondContact O-N 2.83Å; E93-Y95 WeakPolarHBondContact O-CD1 3.15Å; E93-Y95 PolarHBondContact O-N 2.93Å; E93-S137 WeakPolarHBondContact OE2-CB 3.5Å
94N86.3Confident92.1Very high46 Ų4641.1 Ų41.125%0.24619%0.19CC..  trans-78.465.1-176.3-170.64.6000112.8K96 S97N94-K96 PolarHBondContact O-N 2.81Å; N94-S97 PolarHBondContact O-N 2.74Å; N94-S97 PolarHBondContact OD1-N 2.83Å
95Y83.5Confident92.1Very high88 Ų8840.7 Ų40.735%0.34519%0.189SC..THydrogen-bonded Turntrans-60.4-17.9179.369.1-89.5000113.7E93 S97E93-Y95 WeakPolarHBondContact O-CD1 3.15Å; E93-Y95 PolarHBondContact O-N 2.93Å; Y95-S97 VanDerWaalsContact C-N 3.32Å
96K85Confident92.2Very high163 Ų16337.6 Ų37.671%0.70917%0.172SC*.THydrogen-bonded Turntrans-72-25.4174.5-64-179.1-178.9174.70112.4N94 Q98N94-K96 PolarHBondContact O-N 2.81Å; K96-Q98 PolarHBondContact O-N 2.92Å
97S85.6Confident92.3Very high29 Ų2935.6 Ų35.620%0.20317%0.165CC..  trans-90.578.9175.1-172.20000110.9N94 Y95 E99 H100 F101N94-S97 PolarHBondContact O-N 2.74Å; N94-S97 PolarHBondContact OD1-N 2.83Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 3.06Å; S97-E99 VanDerWaalsContact O-N 3.09Å; S97-H100 PolarHBondContact O-N 2.85Å; S97-H100 VanDerWaalsContact O-N 3.09Å; S97-H100 PolarHBondContact OG-CD2 3.38Å; S97-F101 WeakPolarHBondContact O-CB 3.47Å; S97-F101 PolarHBondContact O-N 3.05Å
98Q84.1Confident92.3Very high107 Ų10735.6 Ų35.650%0.517%0.165SC..THydrogen-bonded Turntrans-57.8-27.7-178-69.3177.9-20.600113.4K96 K150 W161K96-Q98 PolarHBondContact O-N 2.92Å; Q98-K150 PolarHBondContact O-NZ 3.39Å; Q98-W161 HydrophobicContact CB-CE3 4.37Å; Q98-W161 HydrophobicContact CB-CZ3 3.91Å; Q98-W161 HydrophobicContact CG-CE3 4.46Å; Q98-W161 HydrophobicContact CG-CZ3 4.1Å
99E86Confident92.4Very high153 Ų15335.1 Ų35.172%0.71516%0.163SC*.THydrogen-bonded Turntrans-74.9-22.4-179.9-65-173.4175.300113.8S97S97-E99 PolarHBondContact O-N 3.06Å; S97-E99 VanDerWaalsContact O-N 3.09Å
100H89.8Confident92.4Very high90 Ų9035.1 Ų35.142%0.41716%0.163SC..THydrogen-bonded Turntrans-125.5-12.2-173.5-55-51.9000114.6S97 T102 E141 K148S97-H100 PolarHBondContact O-N 2.85Å; S97-H100 VanDerWaalsContact O-N 3.09Å; S97-H100 PolarHBondContact OG-CD2 3.38Å; H100-T102 PolarHBondContact O-N 2.9Å; H100-E141 WeakPolarHBondContact CB-OE1 3.44Å; H100-E141 IonicContact CG-OE1 3.42Å; H100-K148 PolarHBondContact O-NZ 3.22Å
101F91.9Very high92.4Very high15 Ų1536.4 Ų36.47%0.06617%0.169CC..  trans-70.1127.4-177.9-179.3-117.1000113.2Y61 D92 S97 A103 R163Y61-F101 HydrophobicContact CD1-CZ 4.09Å; Y61-F101 HydrophobicContact CE1-CE1 4.27Å; Y61-F101 AromaticContact CE1-CZ 3.79Å; Y61-F101 HydrophobicContact CE1-CZ 3.79Å; Y61-F101 HydrophobicContact CE2-CE1 4.2Å; D92-F101 WeakPolarHBondContact O-CE2 3.31Å; S97-F101 WeakPolarHBondContact O-CB 3.47Å; S97-F101 PolarHBondContact O-N 3.05Å; F101-A103 HydrophobicContact CE1-CB 3.99Å; F101-A103 HydrophobicContact CE2-CB 4.27Å; F101-A103 HydrophobicContact CZ-CB 3.69Å; F101-R163 HydrophobicContact CD1-CG 3.98Å; F101-R163 HydrophobicContact CE1-CG 4.06Å
102T93.8Very high92.4Very high0 Ų041 Ų410%019%0.19CC..  trans-119.6-12.4-177.763.50000114.1D92 H100 L104 K148 K150 R163D92-T102 WeakPolarHBondContact OD2-CA 3.23Å; D92-T102 WeakPolarHBondContact OD2-CB 3.15Å; D92-T102 PolarHBondContact OD2-N 3.22Å; D92-T102 PolarHBondContact OD2-OG1 2.92Å; H100-T102 PolarHBondContact O-N 2.9Å; T102-L104 PolarHBondContact O-N 3.35Å; T102-L104 WeakPolarHBondContact OG1-CG 3.41Å; T102-K148 HydrophobicContact CG2-CD 4.48Å; T102-K150 HydrophobicContact CG2-CB 3.92Å; T102-K150 HydrophobicContact CG2-CG 4.49Å; T102-R163 CarbonylContact C-O 3.59Å; T102-R163 WeakPolarHBondContact CA-O 3.15Å
103A93.8Very high92.5Very high0 Ų043.5 Ų43.50%021%0.208CC..  trans5137.7-173.600000112.9E55 F56 Y61 F101E55-A103 PolarHBondContact N-O 3.41Å; F56-A103 WeakPolarHBondContact CB-O 3.41Å; F56-A103 PolarHBondContact N-O 2.92Å; Y61-A103 HydrophobicContact CE1-CB 4.1Å; Y61-A103 WeakPolarHBondContact OH-CB 3.47Å; F101-A103 HydrophobicContact CE1-CB 3.99Å; F101-A103 HydrophobicContact CE2-CB 4.27Å; F101-A103 HydrophobicContact CZ-CB 3.69Å
104L96.8Very high92.8Very high0 Ų042.3 Ų42.30%020%0.203CC..  trans-98.3137.7176-65.7176.5000110.1Q54 D92 T102 I167 H184Q54-L104 HydrophobicContact CB-CD2 4.33Å; Q54-L104 HydrophobicContact CG-CD2 3.9Å; D92-L104 PolarHBondContact N-O 3.36Å; T102-L104 PolarHBondContact O-N 3.35Å; T102-L104 WeakPolarHBondContact OG1-CG 3.41Å; L104-I167 HydrophobicContact CB-CD1 3.6Å; L104-I167 HydrophobicContact CB-CG1 4.18Å; L104-I167 HydrophobicContact CD1-CD1 4.36Å; L104-I167 HydrophobicContact CD1-CG1 4Å; L104-H184 HydrophobicContact CD2-CB 3.75Å
105G97.3Very high92.9Very high0 Ų047.4 Ų47.40%022%0.222CC..EExtended strand (participates in β ladder)trans-117.7135.8171.200000110.3C53 Y90 N182C53-G105 PolarHBondContact N-O 3Å; C53-G105 PolarHBondContact O-N 2.86Å; Y90-G105 CarbonylContact O-C 3.56Å; Y90-G105 WeakPolarHBondContact O-CA 3.49Å; G105-N182 PolarHBondContact O-ND2 2.77Å
106S98.6Very high93Very high0 Ų047.2 Ų47.20%023%0.227CC..EExtended strand (participates in β ladder)trans-130.3117.5174.6-58.20000110.2V89 Y90V89-S106 CarbonylContact C-O 3.54Å; V89-S106 WeakPolarHBondContact CA-O 3.36Å; Y90-S106 PolarHBondContact N-O 3.06Å; Y90-S106 PolarHBondContact O-N 3.36Å
107F98.8Very high93.4Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-113.2126.5179.7-58.7-106.3000109.6A50 L51 F56 V72 L75 V89 L91 F109A50-F107 CarbonylContact C-O 3.52Å; A50-F107 WeakPolarHBondContact CA-O 3.44Å; L51-F107 HydrophobicContact CB-CB 4.17Å; L51-F107 HydrophobicContact CD2-CD2 4.27Å; L51-F107 HydrophobicContact CD2-CG 4.49Å; L51-F107 HydrophobicContact CG-CD2 4.36Å; L51-F107 PolarHBondContact N-O 2.85Å; L51-F107 PolarHBondContact O-N 3.03Å; F56-F107 HydrophobicContact CD2-CE2 4.33Å; F56-F107 AromaticContact CE2-CE2 3.63Å; F56-F107 HydrophobicContact CE2-CE2 3.63Å; F56-F107 AromaticContact CE2-CZ 3.62Å; F56-F107 HydrophobicContact CE2-CZ 3.62Å; F56-F107 HydrophobicContact CZ-CE2 4.04Å; F56-F107 AromaticContact CZ-CZ 3.61Å; F56-F107 HydrophobicContact CZ-CZ 3.61Å; V72-F107 HydrophobicContact CG1-CE1 4.43Å; V72-F107 HydrophobicContact CG2-CE1 4.02Å; V72-F107 HydrophobicContact CG2-CZ 4.06Å; L75-F107 HydrophobicContact CD1-CD1 4.16Å; L75-F107 HydrophobicContact CD1-CE1 3.93Å; L75-F107 HydrophobicContact CD1-CZ 4.23Å; V89-F107 HydrophobicContact CB-CD1 4.25Å; V89-F107 HydrophobicContact CG1-CD1 3.56Å; V89-F107 HydrophobicContact CG1-CE1 3.47Å; V89-F107 VanDerWaalsContact CG1-CE1 3.47Å; V89-F107 HydrophobicContact CG1-CG 4.23Å; V89-F107 HydrophobicContact CG1-CZ 4.08Å; V89-F107 HydrophobicContact CG2-CD1 3.72Å; V89-F107 HydrophobicContact CG2-CE1 4.29Å; V89-F107 HydrophobicContact CG2-CG 4.49Å; L91-F107 HydrophobicContact CD2-CE1 4.2Å; L91-F107 HydrophobicContact CD2-CE2 3.89Å; L91-F107 HydrophobicContact CD2-CZ 3.57Å; F107-F109 HydrophobicContact CB-CD2 4.23Å; F107-F109 HydrophobicContact CB-CE2 3.45Å; F107-F109 VanDerWaalsContact CB-CE2 3.45Å; F107-F109 HydrophobicContact CB-CZ 3.92Å; F107-F109 HydrophobicContact CD1-CE2 4.42Å; F107-F109 HydrophobicContact CD1-CZ 4.05Å; F107-F109 HydrophobicContact CG-CE2 4.3Å; F107-F109 HydrophobicContact CG-CZ 4.38Å
108Y98.8Very high93.9Very high0 Ų041.7 Ų41.70%020%0.199CC..EExtended strand (participates in β ladder)trans-120.5115.9176.6-54.6-79.8000108.4F48 M49 A50 H52 A87 R88 Y90 L110 T169 W171 L180F48-Y108 HydrophobicContact CZ-CD1 4.01Å; M49-Y108 CarbonylContact O-C 3.49Å; M49-Y108 VanDerWaalsContact O-CA 3.31Å; M49-Y108 WeakPolarHBondContact O-CA 3.12Å; A50-Y108 HydrophobicContact CB-CD1 3.72Å; A50-Y108 HydrophobicContact CB-CE1 3.8Å; H52-Y108 AromaticContact NE2-CE1 3.65Å; H52-Y108 AromaticContact NE2-CZ 3.58Å; H52-Y108 PolarHBondContact NE2-OH 3.44Å; A87-Y108 CarbonylContact C-O 3.55Å; A87-Y108 WeakPolarHBondContact CA-O 3.36Å; R88-Y108 HydrophobicContact CB-CD2 4.2Å; R88-Y108 PolarHBondContact N-O 3.36Å; R88-Y108 WeakPolarHBondContact O-CD2 3.49Å; R88-Y108 PolarHBondContact O-N 2.93Å; Y90-Y108 HydrophobicContact CD2-CD2 4.1Å; Y90-Y108 AromaticContact CD2-CE2 3.75Å; Y90-Y108 HydrophobicContact CD2-CE2 3.75Å; Y90-Y108 AromaticContact CE2-CD2 3.99Å; Y90-Y108 HydrophobicContact CE2-CD2 3.99Å; Y90-Y108 AromaticContact CE2-CE2 3.88Å; Y90-Y108 HydrophobicContact CE2-CE2 3.88Å; Y108-L110 WeakPolarHBondContact O-CD1 3.32Å; Y108-T169 HydrophobicContact CE2-CG2 3.82Å; Y108-T169 WeakPolarHBondContact OH-CG2 3.33Å; Y108-T169 PolarHBondContact OH-OG1 3.29Å; Y108-W171 AromaticContact CD1-CE2 3.87Å; Y108-W171 AromaticContact CD1-CZ2 3.8Å; Y108-W171 HydrophobicContact CD1-CZ2 3.8Å; Y108-W171 AromaticContact CD1-NE1 3.76Å; Y108-W171 HydrophobicContact CD2-CH2 4.37Å; Y108-W171 AromaticContact CD2-CZ2 3.52Å; Y108-W171 HydrophobicContact CD2-CZ2 3.52Å; Y108-W171 HydrophobicContact CE1-CZ2 4.38Å; Y108-W171 AromaticContact CE1-NE1 3.65Å; Y108-W171 HydrophobicContact CE2-CZ2 4.12Å; Y108-W171 AromaticContact CG-CE2 3.9Å; Y108-W171 HydrophobicContact CG-CH2 4.04Å; Y108-W171 AromaticContact CG-CZ2 3.32Å; Y108-W171 HydrophobicContact CG-CZ2 3.32Å; Y108-W171 AromaticContact CZ-NE1 3.95Å; Y108-L180 HydrophobicContact CD1-CD1 4.05Å; Y108-L180 HydrophobicContact CE1-CB 4.33Å; Y108-L180 HydrophobicContact CE1-CD1 3.58Å
109F98.6Very high94.6Very high2 Ų236.7 Ų36.71%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-111.8134.9-179.7-57.2-92.3000110.2M49 L75 L76 M81 Y84 A87 F107M49-F109 HydrophobicContact CB-CB 4.33Å; M49-F109 HydrophobicContact CE-CB 3.92Å; M49-F109 HydrophobicContact CE-CD2 3.32Å; M49-F109 HydrophobicContact CE-CE2 3.92Å; M49-F109 HydrophobicContact CE-CG 3.76Å; M49-F109 PolarHBondContact N-O 2.93Å; M49-F109 PolarHBondContact O-N 2.92Å; L75-F109 HydrophobicContact CB-CZ 4.08Å; L76-F109 HydrophobicContact CD2-CE1 3.84Å; M81-F109 HydrophobicContact CE-CB 3.85Å; M81-F109 HydrophobicContact CE-CD1 3.44Å; M81-F109 VanDerWaalsContact CE-CD1 3.44Å; M81-F109 HydrophobicContact CE-CD2 4.07Å; M81-F109 HydrophobicContact CE-CE1 3.91Å; M81-F109 HydrophobicContact CE-CE2 4.46Å; M81-F109 HydrophobicContact CE-CG 3.52Å; M81-F109 HydrophobicContact CE-CZ 4.4Å; Y84-F109 HydrophobicContact CD1-CB 3.71Å; Y84-F109 HydrophobicContact CE1-CB 4.47Å; Y84-F109 HydrophobicContact CG-CB 4.05Å; A87-F109 HydrophobicContact CB-CD1 4.39Å; F107-F109 HydrophobicContact CB-CD2 4.23Å; F107-F109 HydrophobicContact CB-CE2 3.45Å; F107-F109 VanDerWaalsContact CB-CE2 3.45Å; F107-F109 HydrophobicContact CB-CZ 3.92Å; F107-F109 HydrophobicContact CD1-CE2 4.42Å; F107-F109 HydrophobicContact CD1-CZ 4.05Å; F107-F109 HydrophobicContact CG-CE2 4.3Å; F107-F109 HydrophobicContact CG-CZ 4.38Å
110L98.1Very high95.2Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-130.4114.4-171.5-56.196.2000110.7F48 Y84 R86 Y108 I117 V130 W171 I173F48-L110 HydrophobicContact CD2-CD2 3.92Å; F48-L110 HydrophobicContact CD2-CG 3.97Å; F48-L110 HydrophobicContact CE2-CD2 4.15Å; F48-L110 HydrophobicContact CE2-CG 4.28Å; Y84-L110 WeakPolarHBondContact CA-O 3.41Å; R86-L110 HydrophobicContact CB-CB 3.9Å; R86-L110 HydrophobicContact CB-CD1 4.32Å; R86-L110 PolarHBondContact O-N 3Å; Y108-L110 WeakPolarHBondContact O-CD1 3.32Å; L110-I117 HydrophobicContact CB-CD1 3.98Å; L110-I117 HydrophobicContact CD2-CB 4.09Å; L110-I117 HydrophobicContact CD2-CD1 3.5Å; L110-I117 HydrophobicContact CD2-CG1 4.09Å; L110-I117 HydrophobicContact CD2-CG2 3.07Å; L110-I117 HydrophobicContact CG-CD1 4.42Å; L110-V130 HydrophobicContact CD1-CG1 4.37Å; L110-V130 HydrophobicContact CD2-CG1 4.4Å; L110-W171 HydrophobicContact CD1-CH2 4.47Å; L110-W171 HydrophobicContact CD1-CZ3 4.38Å; L110-W171 HydrophobicContact CD2-CZ3 3.99Å; L110-I173 HydrophobicContact CD2-CD1 4.45Å
111H97.6Very high95.5Very high27 Ų2726.3 Ų26.313%0.12513%0.127CC..  trans-63.9144.4-177.8-169.2-90.7000111.3H47 E83 Y84 R86 S113 L114H47-H111 HydrophobicContact CB-CB 4.48Å; H47-H111 VanDerWaalsContact O-CB 3.25Å; H47-H111 WeakPolarHBondContact O-CB 3.39Å; H47-H111 PolarHBondContact O-N 2.95Å; E83-H111 VanDerWaalsContact CB-NE2 3.31Å; E83-H111 WeakPolarHBondContact CB-NE2 3.47Å; E83-H111 IonicContact OE1-NE2 3.83Å; E83-H111 IonicContact OE2-NE2 3.84Å; Y84-H111 HydrophobicContact CD1-CB 4.09Å; Y84-H111 HydrophobicContact CE1-CB 3.96Å; R86-H111 PolarHBondContact NH2-O 2.94Å; H111-S113 WeakPolarHBondContact ND1-CB 3.23Å; H111-S113 PolarHBondContact ND1-N 3.17Å; H111-S113 PolarHBondContact ND1-OG 3.04Å; H111-S113 PolarHBondContact O-N 3.37Å; H111-S113 VanDerWaalsContact O-N 3.09Å; H111-L114 PolarHBondContact O-N 3.11Å; H111-L114 VanDerWaalsContact O-N 3.07Å
112E96.4Very high95.8Very high99 Ų9926.2 Ų26.246%0.46313%0.126SC..THydrogen-bonded Turntrans-59.4-24.7-174.762.8168.1-15200114.6E83 N85 R86 L114E83-E112 PolarHBondContact O-N 3.09Å; N85-E112 VanDerWaalsContact ND2-CB 3.31Å; N85-E112 WeakPolarHBondContact ND2-CB 3.36Å; R86-E112 VanDerWaalsContact NH2-C 3.32Å; R86-E112 PolarHBondContact NH2-O 3.3Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.33Å
113S95.1Very high95.9Very high54 Ų5435 Ų3538%0.37817%0.165SC..THydrogen-bonded Turntrans-65.8-26.4177.466.70000113.4H111H111-S113 WeakPolarHBondContact ND1-CB 3.23Å; H111-S113 PolarHBondContact ND1-N 3.17Å; H111-S113 PolarHBondContact ND1-OG 3.04Å; H111-S113 PolarHBondContact O-N 3.37Å; H111-S113 VanDerWaalsContact O-N 3.09Å
114L93.4Very high96Very high15 Ų1537.2 Ų37.28%0.07918%0.183CC..  trans-69.4133.3176.3-69179.2000111.2T10 H47 F48 R86 H111 E112 I117 I173T10-L114 HydrophobicContact CG2-CD2 3.88Å; H47-L114 HydrophobicContact CB-CD1 4.07Å; H47-L114 HydrophobicContact CB-CD2 3.81Å; H47-L114 HydrophobicContact CB-CG 3.86Å; H47-L114 WeakPolarHBondContact O-CD1 3.39Å; F48-L114 HydrophobicContact CB-CD1 4.09Å; R86-L114 PolarHBondContact NH2-O 2.77Å; H111-L114 PolarHBondContact O-N 3.11Å; H111-L114 VanDerWaalsContact O-N 3.07Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.33Å; L114-I117 HydrophobicContact CB-CD1 3.28Å; L114-I117 HydrophobicContact CB-CG1 3.68Å; L114-I117 HydrophobicContact CD1-CD1 3.83Å; L114-I117 HydrophobicContact CD1-CG1 4.14Å; L114-I117 HydrophobicContact CG-CD1 4.2Å; L114-I117 HydrophobicContact CG-CG1 4.49Å; L114-I173 HydrophobicContact CD1-CG2 4.42Å; L114-I173 HydrophobicContact CD2-CG2 4.39Å
115K87.3Confident96.1Very high153 Ų15342.8 Ų42.867%0.66521%0.207SC*.  trans-109.5-42.6-177.1-56-56.1179.4-166.90113.5
116N86.3Confident96Very high84 Ų8447.6 Ų47.645%0.44923%0.228SC..  trans-108.892-176.6-65-18.3000109.2Y118N116-Y118 HydrophobicContact CB-CE2 4.13Å
117I92.8Very high96Very high4 Ų451 Ų512%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-129.7124.6-178.5-54165000108.3L110 L114 V130 W171 I173L110-I117 HydrophobicContact CB-CD1 3.98Å; L110-I117 HydrophobicContact CD2-CB 4.09Å; L110-I117 HydrophobicContact CD2-CD1 3.5Å; L110-I117 HydrophobicContact CD2-CG1 4.09Å; L110-I117 HydrophobicContact CD2-CG2 3.07Å; L110-I117 HydrophobicContact CG-CD1 4.42Å; L114-I117 HydrophobicContact CB-CD1 3.28Å; L114-I117 HydrophobicContact CB-CG1 3.68Å; L114-I117 HydrophobicContact CD1-CD1 3.83Å; L114-I117 HydrophobicContact CD1-CG1 4.14Å; L114-I117 HydrophobicContact CG-CD1 4.2Å; L114-I117 HydrophobicContact CG-CG1 4.49Å; I117-V130 HydrophobicContact CB-CB 4.49Å; I117-V130 HydrophobicContact CG2-CB 3.93Å; I117-V130 HydrophobicContact CG2-CG2 4.02Å; I117-V130 PolarHBondContact O-N 3.49Å; I117-V130 VanDerWaalsContact O-N 3.15Å; I117-W171 HydrophobicContact CG2-CE3 4.37Å; I117-W171 HydrophobicContact CG2-CZ3 4.3Å; I117-I173 HydrophobicContact CB-CD1 4.13Å; I117-I173 HydrophobicContact CG1-CD1 4.2Å; I117-I173 HydrophobicContact CG2-CD1 3.38Å
118Y97Very high95.9Very high73 Ų7355.9 Ų55.929%0.28626%0.26SS..EExtended strand (participates in β ladder)trans-133148.3176.1-50.5-98.2000111.6N116 R128 K129 W171 C172N116-Y118 HydrophobicContact CB-CE2 4.13Å; Y118-R128 CarbonylContact C-O 3.58Å; Y118-R128 WeakPolarHBondContact CA-O 3.5Å; Y118-R128 WeakPolarHBondContact CB-O 3.49Å; Y118-K129 HydrophobicContact CD1-CB 4.13Å; Y118-K129 HydrophobicContact CE1-CB 4.05Å; Y118-K129 HydrophobicContact CE1-CG 4.41Å; Y118-W171 CarbonylContact O-C 3.49Å; Y118-W171 WeakPolarHBondContact O-CA 3.41Å; Y118-C172 PolarHBondContact N-O 3.02Å; Y118-C172 PolarHBondContact O-N 2.81Å
119Q98.2Very high95.8Very high1 Ų163.1 Ų63.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-114.9141168.4-170.2-175.713.600108.6Y90 R128 V130 M145 R170 W171Y90-Q119 PolarHBondContact OH-NE2 3.5Å; Y90-Q119 PolarHBondContact OH-OE1 2.9Å; Q119-R128 PolarHBondContact N-O 2.93Å; Q119-R128 PolarHBondContact O-N 3.1Å; Q119-V130 HydrophobicContact CB-CG2 3.82Å; Q119-M145 HydrophobicContact CB-CE 3.63Å; Q119-M145 HydrophobicContact CG-CE 3.58Å; Q119-M145 PolarHBondContact NE2-O 2.84Å; Q119-M145 VanDerWaalsContact NE2-O 3.17Å; Q119-M145 VanDerWaalsContact OE1-CE 3.3Å; Q119-R170 CarbonylContact C-O 3.46Å; Q119-R170 WeakPolarHBondContact CA-O 3.42Å; Q119-W171 HydrophobicContact CB-CE3 4.22Å; Q119-W171 HydrophobicContact CB-CH2 4.39Å; Q119-W171 HydrophobicContact CB-CZ3 4.18Å; Q119-W171 HydrophobicContact CG-CD2 4.4Å; Q119-W171 HydrophobicContact CG-CH2 4.37Å; Q119-W171 HydrophobicContact CG-CZ2 4.18Å
120F98.4Very high95.7Very high14 Ų1463.4 Ų63.46%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-78.8134.8-179.9-164.5-111000111.2F122 K125 Y127 R170 F222F120-F122 HydrophobicContact CD1-CD1 4Å; F120-F122 HydrophobicContact CD1-CD2 4.13Å; F120-F122 HydrophobicContact CD1-CE1 4.21Å; F120-F122 HydrophobicContact CD1-CE2 4.33Å; F120-F122 AromaticContact CD1-CG 3.96Å; F120-F122 HydrophobicContact CD1-CG 3.96Å; F120-F122 HydrophobicContact CD1-CZ 4.37Å; F120-F122 HydrophobicContact CE1-CD1 4.15Å; F120-F122 HydrophobicContact CE1-CG 4.34Å; F120-K125 HydrophobicContact CZ-CB 4.14Å; F120-Y127 HydrophobicContact CB-CD1 4.22Å; F120-Y127 HydrophobicContact CB-CE1 3.98Å; F120-Y127 HydrophobicContact CD2-CD1 4.16Å; F120-Y127 HydrophobicContact CD2-CD2 4.07Å; F120-Y127 AromaticContact CD2-CE1 3.96Å; F120-Y127 HydrophobicContact CD2-CE1 3.96Å; F120-Y127 AromaticContact CD2-CE2 3.88Å; F120-Y127 HydrophobicContact CD2-CE2 3.88Å; F120-Y127 HydrophobicContact CD2-CG 4.21Å; F120-Y127 AromaticContact CD2-CZ 3.82Å; F120-Y127 HydrophobicContact CE2-CE2 4.28Å; F120-Y127 HydrophobicContact CG-CE1 4.43Å; F120-R170 HydrophobicContact CB-CB 3.57Å; F120-R170 HydrophobicContact CB-CG 3.73Å; F120-R170 HydrophobicContact CG-CB 4.31Å; F120-R170 HydrophobicContact CG-CG 4.26Å; F120-R170 PolarHBondContact N-O 2.82Å; F120-F222 AromaticContact CE1-CD1 3.86Å; F120-F222 HydrophobicContact CE1-CD1 3.86Å; F120-F222 HydrophobicContact CE1-CE1 4.21Å; F120-F222 HydrophobicContact CZ-CD1 4.31Å
121D97.9Very high95.5Very high11 Ų1166.2 Ų66.26%0.05932%0.317CS..EExtended strand (participates in β ladder)trans-93.5105168.6176.6-23.3000106.9K123 A124 K125 K126 R128 P144 M145D121-K123 VanDerWaalsContact C-N 3.28Å; D121-K123 PolarHBondContact O-N 2.92Å; D121-K123 PolarHBondContact OD1-N 3.16Å; D121-A124 HydrophobicContact CB-CB 4.26Å; D121-A124 VanDerWaalsContact CG-CB 3.41Å; D121-A124 PolarHBondContact O-N 3.2Å; D121-A124 WeakPolarHBondContact OD1-CB 3.37Å; D121-A124 PolarHBondContact OD1-N 2.89Å; D121-A124 VanDerWaalsContact OD2-CB 3.28Å; D121-A124 WeakPolarHBondContact OD2-CB 3.42Å; D121-K125 VanDerWaalsContact O-CA 3.24Å; D121-K125 WeakPolarHBondContact O-CA 3.4Å; D121-K125 PolarHBondContact O-N 3.36Å; D121-K126 WeakPolarHBondContact CB-O 3.47Å; D121-K126 PolarHBondContact N-O 3.02Å; D121-K126 PolarHBondContact O-N 3.22Å; D121-R128 HydrophobicContact CB-CG 3.87Å; D121-R128 IonicContact OD2-CZ 3.76Å; D121-R128 IonicContact OD2-NE 3.38Å; D121-R128 PolarHBondContact OD2-NE 3.49Å; D121-R128 VanDerWaalsContact OD2-NE 3.08Å; D121-R128 IonicContact OD2-NH2 2.85Å; D121-R128 PolarHBondContact OD2-NH2 3.31Å; D121-P144 CarbonylContact C-O 3.51Å; D121-P144 WeakPolarHBondContact OD1-CB 3.2Å; D121-M145 HydrophobicContact CB-SD 3.99Å
122F96.9Very high95.5Very high13 Ų1366.8 Ų66.86%0.05733%0.33CS..THydrogen-bonded Turntrans-65.4-32.1-174.8-76.3-93.3000112.2F120 P144 E147 R168 R170 F222F120-F122 HydrophobicContact CD1-CD1 4Å; F120-F122 HydrophobicContact CD1-CD2 4.13Å; F120-F122 HydrophobicContact CD1-CE1 4.21Å; F120-F122 HydrophobicContact CD1-CE2 4.33Å; F120-F122 AromaticContact CD1-CG 3.96Å; F120-F122 HydrophobicContact CD1-CG 3.96Å; F120-F122 HydrophobicContact CD1-CZ 4.37Å; F120-F122 HydrophobicContact CE1-CD1 4.15Å; F120-F122 HydrophobicContact CE1-CG 4.34Å; F122-P144 PolarHBondContact N-O 3.39Å; F122-E147 HydrophobicContact CB-CG 4.47Å; F122-E147 HydrophobicContact CD1-CG 3.76Å; F122-E147 HydrophobicContact CD2-CG 4.35Å; F122-E147 HydrophobicContact CE1-CG 4.02Å; F122-E147 WeakPolarHBondContact CE1-OE2 3.36Å; F122-E147 HydrophobicContact CG-CG 3.95Å; F122-E147 HydrophobicContact CZ-CG 4.42Å; F122-R168 HydrophobicContact CZ-CG 4.1Å; F122-R170 HydrophobicContact CE2-CB 4.25Å; F122-R170 HydrophobicContact CZ-CB 3.89Å; F122-F222 HydrophobicContact CB-CE1 4.36Å; F122-F222 HydrophobicContact CB-CZ 4.29Å; F122-F222 HydrophobicContact CD1-CD1 4.34Å; F122-F222 HydrophobicContact CD1-CD2 4.37Å; F122-F222 AromaticContact CD1-CE1 3.91Å; F122-F222 HydrophobicContact CD1-CE1 3.91Å; F122-F222 AromaticContact CD1-CE2 3.93Å; F122-F222 HydrophobicContact CD1-CE2 3.93Å; F122-F222 AromaticContact CD1-CZ 3.7Å; F122-F222 HydrophobicContact CD1-CZ 3.7Å; F122-F222 HydrophobicContact CE1-CE2 4.47Å; F122-F222 HydrophobicContact CG-CZ 4.5Å; F122-F222 WeakPolarHBondContact O-CE1 3.35Å
123K95.9Very high95.5Very high186 Ų18666.5 Ų66.581%0.80933%0.327SS*.THydrogen-bonded Turntrans-73.7-48.1178-173.9174.8-178.8174.70111.5D121 K125 P144D121-K123 VanDerWaalsContact C-N 3.28Å; D121-K123 PolarHBondContact O-N 2.92Å; D121-K123 PolarHBondContact OD1-N 3.16Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-P144 HydrophobicContact CB-CB 3.64Å
124A97.2Very high95.5Very high46 Ų4667.6 Ų67.638%0.3833%0.326SS..THydrogen-bonded Turntrans-84-5.7-179.800000113.6D121 K126D121-A124 HydrophobicContact CB-CB 4.26Å; D121-A124 VanDerWaalsContact CG-CB 3.41Å; D121-A124 PolarHBondContact O-N 3.2Å; D121-A124 WeakPolarHBondContact OD1-CB 3.37Å; D121-A124 PolarHBondContact OD1-N 2.89Å; D121-A124 VanDerWaalsContact OD2-CB 3.28Å; D121-A124 WeakPolarHBondContact OD2-CB 3.42Å; A124-K126 VanDerWaalsContact C-N 3.3Å; A124-K126 HydrophobicContact CB-CD 4.36Å; A124-K126 HydrophobicContact CB-CG 3.97Å; A124-K126 PolarHBondContact O-N 2.77Å
125K97Very high95.6Very high116 Ų11670.9 Ų70.950%0.50434%0.343SS..THydrogen-bonded Turntrans5243.1-179.2-57.6-171.3178.7-162.70113.6F120 D121 K123 R221 F222F120-K125 HydrophobicContact CZ-CB 4.14Å; D121-K125 VanDerWaalsContact O-CA 3.24Å; D121-K125 WeakPolarHBondContact O-CA 3.4Å; D121-K125 PolarHBondContact O-N 3.36Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K125-R221 PolarHBondContact NZ-O 3.4Å; K125-F222 HydrophobicContact CG-CE1 4.31Å
126K97Very high95.9Very high102 Ų10266.9 Ų66.944%0.44332%0.324SS..EExtended strand (participates in β ladder)trans-148.1155.5-178.662.8-178.4173.1175.30113D121 A124D121-K126 WeakPolarHBondContact CB-O 3.47Å; D121-K126 PolarHBondContact N-O 3.02Å; D121-K126 PolarHBondContact O-N 3.22Å; A124-K126 VanDerWaalsContact C-N 3.3Å; A124-K126 HydrophobicContact CB-CD 4.36Å; A124-K126 HydrophobicContact CB-CG 3.97Å; A124-K126 PolarHBondContact O-N 2.77Å
127Y97.6Very high95.9Very high70 Ų7064.8 Ų64.828%0.27532%0.316SS..EExtended strand (participates in β ladder)trans-77.1134.1176.1-74.2-76.8000111.7F120 R170 C172 A177F120-Y127 HydrophobicContact CB-CD1 4.22Å; F120-Y127 HydrophobicContact CB-CE1 3.98Å; F120-Y127 HydrophobicContact CD2-CD1 4.16Å; F120-Y127 HydrophobicContact CD2-CD2 4.07Å; F120-Y127 AromaticContact CD2-CE1 3.96Å; F120-Y127 HydrophobicContact CD2-CE1 3.96Å; F120-Y127 AromaticContact CD2-CE2 3.88Å; F120-Y127 HydrophobicContact CD2-CE2 3.88Å; F120-Y127 HydrophobicContact CD2-CG 4.21Å; F120-Y127 AromaticContact CD2-CZ 3.82Å; F120-Y127 HydrophobicContact CE2-CE2 4.28Å; F120-Y127 HydrophobicContact CG-CE1 4.43Å; Y127-R170 HydrophobicContact CE1-CG 4.27Å; Y127-R170 WeakPolarHBondContact OH-CD 3.3Å; Y127-C172 HydrophobicContact CD1-CB 3.81Å; Y127-C172 HydrophobicContact CE1-CB 3.59Å; Y127-A177 VanDerWaalsContact OH-CB 3.24Å; Y127-A177 WeakPolarHBondContact OH-CB 3.38Å
128R97.2Very high94.9Very high104 Ų10471 Ų7139%0.39235%0.349SS..EExtended strand (participates in β ladder)trans-113.1134.3175.8-57-60.4-167.6151.211.8109.2Y118 Q119 D121 M145Y118-R128 CarbonylContact C-O 3.58Å; Y118-R128 WeakPolarHBondContact CA-O 3.5Å; Y118-R128 WeakPolarHBondContact CB-O 3.49Å; Q119-R128 PolarHBondContact N-O 2.93Å; Q119-R128 PolarHBondContact O-N 3.1Å; D121-R128 HydrophobicContact CB-CG 3.87Å; D121-R128 IonicContact OD2-CZ 3.76Å; D121-R128 IonicContact OD2-NE 3.38Å; D121-R128 PolarHBondContact OD2-NE 3.49Å; D121-R128 VanDerWaalsContact OD2-NE 3.08Å; D121-R128 IonicContact OD2-NH2 2.85Å; D121-R128 PolarHBondContact OD2-NH2 3.31Å; R128-M145 HydrophobicContact CB-CE 4.28Å; R128-M145 HydrophobicContact CG-CE 4.33Å; R128-M145 HydrophobicContact CG-SD 4.44Å
129K96.3Very high94Very high151 Ų15170.7 Ų70.766%0.65736%0.355SS*.EExtended strand (participates in β ladder)trans-66.8135.7176.9-170.8175-177.31780109.4Y118Y118-K129 HydrophobicContact CD1-CB 4.13Å; Y118-K129 HydrophobicContact CE1-CB 4.05Å; Y118-K129 HydrophobicContact CE1-CG 4.41Å
130V96.6Very high93.6Very high8 Ų870.8 Ų70.85%0.04836%0.356CS..  trans-91.5125.3-179.9178.40000109.2R88 L110 I117 Q119 W171R88-V130 HydrophobicContact CG-CG1 4.24Å; L110-V130 HydrophobicContact CD1-CG1 4.37Å; L110-V130 HydrophobicContact CD2-CG1 4.4Å; I117-V130 HydrophobicContact CB-CB 4.49Å; I117-V130 HydrophobicContact CG2-CB 3.93Å; I117-V130 HydrophobicContact CG2-CG2 4.02Å; I117-V130 PolarHBondContact O-N 3.49Å; I117-V130 VanDerWaalsContact O-N 3.15Å; Q119-V130 HydrophobicContact CB-CG2 3.82Å; V130-W171 HydrophobicContact CG1-CZ3 4.48Å; V130-W171 HydrophobicContact CG2-CZ3 3.83Å
131A94.6Very high92.9Very high60 Ų6073.8 Ų73.850%0.49637%0.37SS..  trans-137150.9178.500000110.5R88R88-A131 PolarHBondContact NH1-O 3.03Å; R88-A131 PolarHBondContact NH2-O 2.81Å
132G96Very high92.4Very high39 Ų3977.9 Ų77.940%0.40240%0.4SS..SBendtrans55.3-167.8179.600000114.5R86 A87 R88R86-G132 WeakPolarHBondContact CA-O 3.4Å; A87-G132 PolarHBondContact N-O 2.75Å; R88-G132 PolarHBondContact NH1-O 3.09Å
133K97.1Very high92.2Very high92 Ų9278 Ų7840%0.440%0.401SS..EExtended strand (participates in β ladder)trans-107.8127.6174.1-61.9-179.1174.9178.90108.1L76 Y84 A87L76-K133 HydrophobicContact CD2-CD 4.33Å; L76-K133 PolarHBondContact O-NZ 2.89Å; Y84-K133 WeakPolarHBondContact O-CE 3.39Å; Y84-K133 PolarHBondContact O-NZ 2.83Å; A87-K133 HydrophobicContact CB-CB 4.1Å; A87-K133 HydrophobicContact CB-CD 4.45Å; A87-K133 HydrophobicContact CB-CG 3.83Å; A87-K133 WeakPolarHBondContact O-CA 3.35Å
134E95.9Very high92.2Very high78 Ų7871.4 Ų71.436%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-129.2134.6176.8-66.7173.8166.600109.1A87 R88 V89 Y136A87-E134 PolarHBondContact O-N 3.04Å; R88-E134 WeakPolarHBondContact CA-O 3.12Å; R88-E134 IonicContact CZ-OE2 3.87Å; R88-E134 IonicContact NE-OE2 2.89Å; R88-E134 PolarHBondContact NE-OE2 2.73Å; R88-E134 IonicContact NH1-OE2 2.75Å; R88-E134 IonicContact NH2-OE1 3.81Å; R88-E134 IonicContact NH2-OE2 3.73Å; R88-E134 PolarHBondContact NH2-OE2 2.86Å; V89-E134 PolarHBondContact N-O 2.95Å; E134-Y136 HydrophobicContact CB-CE2 3.75Å; E134-Y136 PolarHBondContact OE2-OH 3.47Å
135I95.2Very high92.1Very high84 Ų8470.2 Ų70.243%0.43136%0.364SS..EExtended strand (participates in β ladder)trans-117.1130.8176.9-52.7171000107.3V72 L76 V89 L91V72-I135 HydrophobicContact CG1-CD1 4.02Å; L76-I135 HydrophobicContact CD1-CD1 3.5Å; L76-I135 VanDerWaalsContact CD1-CD1 3.5Å; L76-I135 HydrophobicContact CD1-CG1 3.98Å; V89-I135 HydrophobicContact CB-CB 4.37Å; V89-I135 HydrophobicContact CB-CG1 4.19Å; V89-I135 HydrophobicContact CB-CG2 4.19Å; V89-I135 HydrophobicContact CG1-CG2 4.17Å; V89-I135 HydrophobicContact CG2-CG1 4.42Å; V89-I135 CarbonylContact O-C 3.56Å; L91-I135 HydrophobicContact CD1-CG2 4.2Å
136Y93.9Very high92.2Very high69 Ų6965.1 Ų65.127%0.27134%0.343SS..EExtended strand (participates in β ladder)trans-121.2106.6175.9-59.1-91.7000107.2V89 Y90 L91 E134 L140V89-Y136 PolarHBondContact O-N 3.3Å; Y90-Y136 CarbonylContact C-O 3.56Å; Y90-Y136 WeakPolarHBondContact CA-O 3.46Å; Y90-Y136 AromaticContact CD1-CD2 3.66Å; Y90-Y136 HydrophobicContact CD1-CD2 3.66Å; Y90-Y136 AromaticContact CD1-CG 3.92Å; Y90-Y136 HydrophobicContact CD1-CG 3.92Å; Y90-Y136 AromaticContact CE1-CD2 3.29Å; Y90-Y136 HydrophobicContact CE1-CD2 3.29Å; Y90-Y136 AromaticContact CE1-CE2 3.73Å; Y90-Y136 HydrophobicContact CE1-CE2 3.73Å; Y90-Y136 AromaticContact CE1-CG 3.82Å; Y90-Y136 HydrophobicContact CE1-CG 3.82Å; L91-Y136 PolarHBondContact N-O 2.79Å; E134-Y136 HydrophobicContact CB-CE2 3.75Å; E134-Y136 PolarHBondContact OE2-OH 3.47Å; Y136-L140 WeakPolarHBondContact O-CD2 3.45Å
137S86.2Confident92.1Very high40 Ų4061.8 Ų61.828%0.2833%0.328SS..  trans-116.6-18.3178.946.30000113.5L91 E93L91-S137 WeakPolarHBondContact O-CA 3.37Å; E93-S137 WeakPolarHBondContact OE2-CB 3.5Å
138D71.4Confident92.1Very high134 Ų13459.6 Ų59.672%0.71732%0.321SS*.SBendtrans-72.9179.4171.7-64.2-39.5000111.6L140D138-L140 PolarHBondContact O-N 2.84Å
139T77.6Confident92Very high67 Ų6757.5 Ų57.541%0.41132%0.315SS..  trans-33.589.7176.3-50.20000113.2E141 S142T139-E141 VanDerWaalsContact CA-OE2 3.31Å; T139-E141 WeakPolarHBondContact CA-OE2 3.34Å; T139-E141 HydrophobicContact CG2-CB 4.11Å; T139-E141 WeakPolarHBondContact CG2-OE2 3.36Å; T139-E141 PolarHBondContact O-N 2.78Å; T139-E141 VanDerWaalsContact O-N 3.1Å; T139-S142 WeakPolarHBondContact O-CB 3.33Å; T139-S142 PolarHBondContact O-N 2.9Å; T139-S142 PolarHBondContact O-OG 2.89Å
140L90.7Very high92Very high2 Ų251.9 Ų51.91%0.0129%0.291CS..G310 helixtrans-61.7-21.3-176.5-68.6-172.2000112.1Y90 D92 Y136 D138 S142 T143 L146 K148 I167Y90-L140 HydrophobicContact CD1-CD2 4.27Å; D92-L140 HydrophobicContact CB-CD1 3.79Å; Y136-L140 WeakPolarHBondContact O-CD2 3.45Å; D138-L140 PolarHBondContact O-N 2.84Å; L140-S142 PolarHBondContact O-N 3.5Å; L140-T143 WeakPolarHBondContact O-CG2 3.33Å; L140-T143 PolarHBondContact O-N 3.01Å; L140-L146 HydrophobicContact CB-CD1 4.5Å; L140-L146 HydrophobicContact CB-CD2 4.5Å; L140-L146 HydrophobicContact CD1-CD2 4.47Å; L140-L146 HydrophobicContact CD2-CD2 4.47Å; L140-K148 HydrophobicContact CB-CD 4.26Å; L140-K148 HydrophobicContact CD1-CD 4.23Å; L140-I167 HydrophobicContact CD1-CD1 4Å
141E83.6Confident92Very high77 Ų7751.7 Ų51.736%0.3629%0.289SS..G310 helixtrans-61.8-20.7174.6-55.582.8174.700112.5H100 T139 K148H100-E141 WeakPolarHBondContact CB-OE1 3.44Å; H100-E141 IonicContact CG-OE1 3.42Å; T139-E141 VanDerWaalsContact CA-OE2 3.31Å; T139-E141 WeakPolarHBondContact CA-OE2 3.34Å; T139-E141 HydrophobicContact CG2-CB 4.11Å; T139-E141 WeakPolarHBondContact CG2-OE2 3.36Å; T139-E141 PolarHBondContact O-N 2.78Å; T139-E141 VanDerWaalsContact O-N 3.1Å; E141-K148 WeakPolarHBondContact OE1-CE 3.02Å; E141-K148 IonicContact OE1-NZ 3.69Å; E141-K148 PolarHBondContact OE1-NZ 3.08Å; E141-K148 IonicContact OE2-NZ 2.89Å
142S86.4Confident91.8Very high98 Ų9850.7 Ų50.769%0.68528%0.277SS*.G310 helixtrans-83.8-23.2179.569.80000113.7T139 L140T139-S142 WeakPolarHBondContact O-CB 3.33Å; T139-S142 PolarHBondContact O-N 2.9Å; T139-S142 PolarHBondContact O-OG 2.89Å; L140-S142 PolarHBondContact O-N 3.5Å
143T92.3Very high91.4Very high15 Ų1552.3 Ų52.39%0.09228%0.275CS..  trans-82.8130.6-176.9179.10000110.8Y90 L140 M145 L146Y90-T143 HydrophobicContact CE1-CG2 4.44Å; L140-T143 WeakPolarHBondContact O-CG2 3.33Å; L140-T143 PolarHBondContact O-N 3.01Å; T143-M145 PolarHBondContact O-N 3.01Å; T143-M145 PolarHBondContact OG1-N 2.58Å; T143-L146 HydrophobicContact CG2-CD1 4.44Å; T143-L146 HydrophobicContact CG2-CD2 3.87Å; T143-L146 HydrophobicContact CG2-CG 3.81Å
144P95.6Very high91.1Very high47 Ų4752.8 Ų52.831%0.30528%0.282SS..THydrogen-bonded Turntrans-79.6-0.3178.235.5-37.9000112.9D121 F122 K123 L146D121-P144 CarbonylContact C-O 3.51Å; D121-P144 WeakPolarHBondContact OD1-CB 3.2Å; F122-P144 PolarHBondContact N-O 3.39Å; K123-P144 HydrophobicContact CB-CB 3.64Å; P144-L146 VanDerWaalsContact C-N 3.32Å
145M97.1Very high90.8Very high21 Ų2150.8 Ų50.810%0.10327%0.271CS..THydrogen-bonded Turntrans-85.4-3.8-172.5-58.1-54.6-59.400113.7Y90 Q119 D121 R128 T143Y90-M145 HydrophobicContact CE1-CB 4.47Å; Q119-M145 HydrophobicContact CB-CE 3.63Å; Q119-M145 HydrophobicContact CG-CE 3.58Å; Q119-M145 PolarHBondContact NE2-O 2.84Å; Q119-M145 VanDerWaalsContact NE2-O 3.17Å; Q119-M145 VanDerWaalsContact OE1-CE 3.3Å; D121-M145 HydrophobicContact CB-SD 3.99Å; R128-M145 HydrophobicContact CB-CE 4.28Å; R128-M145 HydrophobicContact CG-CE 4.33Å; R128-M145 HydrophobicContact CG-SD 4.44Å; T143-M145 PolarHBondContact O-N 3.01Å; T143-M145 PolarHBondContact OG1-N 2.58Å
146L97.3Very high90.5Very high10 Ų1047 Ų475%0.05225%0.252CS..  trans-147.4163.5178.264.581.5000111.1Y90 L140 T143 P144 K148 I167 R168 T169Y90-L146 HydrophobicContact CD1-CD2 3.37Å; Y90-L146 HydrophobicContact CD2-CD2 4.32Å; Y90-L146 HydrophobicContact CE1-CD2 3.92Å; Y90-L146 HydrophobicContact CG-CD2 3.6Å; L140-L146 HydrophobicContact CB-CD1 4.5Å; L140-L146 HydrophobicContact CB-CD2 4.5Å; L140-L146 HydrophobicContact CD1-CD2 4.47Å; L140-L146 HydrophobicContact CD2-CD2 4.47Å; T143-L146 HydrophobicContact CG2-CD1 4.44Å; T143-L146 HydrophobicContact CG2-CD2 3.87Å; T143-L146 HydrophobicContact CG2-CG 3.81Å; P144-L146 VanDerWaalsContact C-N 3.32Å; L146-K148 HydrophobicContact CD1-CB 3.68Å; L146-I167 HydrophobicContact CB-CG2 4.2Å; L146-I167 HydrophobicContact CD1-CG2 4.44Å; L146-I167 HydrophobicContact CD2-CG2 4.11Å; L146-I167 HydrophobicContact CG-CG2 4.5Å; L146-R168 CarbonylContact C-O 3.54Å; L146-R168 WeakPolarHBondContact CA-O 3.32Å; L146-R168 VanDerWaalsContact CB-O 3.31Å; L146-R168 WeakPolarHBondContact CB-O 3.25Å; L146-T169 HydrophobicContact CB-CG2 3.96Å
147E96.8Very high90Very high31 Ų3147.8 Ų47.815%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-111.2127.7160.6-62.9-177.8119.400107.6F122 I167 R168 R221 F222F122-E147 HydrophobicContact CB-CG 4.47Å; F122-E147 HydrophobicContact CD1-CG 3.76Å; F122-E147 HydrophobicContact CD2-CG 4.35Å; F122-E147 HydrophobicContact CE1-CG 4.02Å; F122-E147 WeakPolarHBondContact CE1-OE2 3.36Å; F122-E147 HydrophobicContact CG-CG 3.95Å; F122-E147 HydrophobicContact CZ-CG 4.42Å; E147-I167 CarbonylContact O-C 3.51Å; E147-I167 WeakPolarHBondContact O-CA 3.43Å; E147-R168 HydrophobicContact CB-CB 4.36Å; E147-R168 PolarHBondContact N-O 3.46Å; E147-R168 PolarHBondContact O-N 3.33Å; E147-R168 WeakPolarHBondContact OE2-CD 3.32Å; E147-R168 IonicContact OE2-CZ 3.63Å; E147-R168 IonicContact OE2-NE 3.45Å; E147-R168 IonicContact OE2-NH1 2.71Å; E147-R168 PolarHBondContact OE2-NH1 2.77Å; E147-R221 IonicContact OE1-NH2 2.76Å; E147-F222 WeakPolarHBondContact OE1-CE2 3.47Å
148K96.1Very high89.8Confident25 Ų2552.8 Ų52.811%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-125.1133.6175.5-179.6-173.873.8141.70109D92 H100 T102 L140 E141 L146 F166 I167D92-K148 HydrophobicContact CB-CD 4.42Å; D92-K148 IonicContact OD1-NZ 3.71Å; D92-K148 PolarHBondContact OD1-NZ 2.91Å; D92-K148 IonicContact OD2-NZ 3.36Å; D92-K148 PolarHBondContact OD2-NZ 3.14Å; H100-K148 PolarHBondContact O-NZ 3.22Å; T102-K148 HydrophobicContact CG2-CD 4.48Å; L140-K148 HydrophobicContact CB-CD 4.26Å; L140-K148 HydrophobicContact CD1-CD 4.23Å; E141-K148 WeakPolarHBondContact OE1-CE 3.02Å; E141-K148 IonicContact OE1-NZ 3.69Å; E141-K148 PolarHBondContact OE1-NZ 3.08Å; E141-K148 IonicContact OE2-NZ 2.89Å; L146-K148 HydrophobicContact CD1-CB 3.68Å; K148-F166 WeakPolarHBondContact CA-O 3.5Å; K148-I167 HydrophobicContact CB-CG1 4.15Å; K148-I167 HydrophobicContact CD-CG1 4.24Å; K148-I167 HydrophobicContact CG-CG1 3.84Å
149E95.6Very high90.3Very high60 Ų6047.4 Ų47.428%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-141139.2168.9-59.9179.8-148.300111.1G165 F166 Y212 R216E149-G165 CarbonylContact O-C 3.43Å; E149-G165 WeakPolarHBondContact O-CA 3.46Å; E149-F166 HydrophobicContact CB-CD1 4.32Å; E149-F166 HydrophobicContact CB-CE1 3.65Å; E149-F166 HydrophobicContact CB-CZ 4.08Å; E149-F166 HydrophobicContact CG-CE1 4.13Å; E149-F166 HydrophobicContact CG-CZ 4.09Å; E149-F166 PolarHBondContact N-O 3.49Å; E149-F166 VanDerWaalsContact N-O 3.12Å; E149-F166 PolarHBondContact O-N 3.13Å; E149-Y212 WeakPolarHBondContact OE2-CE1 3.24Å; E149-Y212 VanDerWaalsContact OE2-CZ 3.3Å; E149-Y212 PolarHBondContact OE2-OH 2.87Å; E149-R216 VanDerWaalsContact CD-NE 3.28Å; E149-R216 WeakPolarHBondContact OE1-CD 3.21Å; E149-R216 IonicContact OE1-NE 3.72Å; E149-R216 PolarHBondContact OE1-NE 3.41Å; E149-R216 VanDerWaalsContact OE1-NE 3.11Å; E149-R216 IonicContact OE2-CZ 2.73Å; E149-R216 IonicContact OE2-NE 3.48Å; E149-R216 PolarHBondContact OE2-NE 2.77Å; E149-R216 IonicContact OE2-NH2 3.81Å
150K95.8Very high90.1Very high33 Ų3352.5 Ų52.514%0.14327%0.273CS..EExtended strand (participates in β ladder)trans-83.2143.4163.8179.8177.8155.9172.50108.9Q98 T102 S162 K164Q98-K150 PolarHBondContact O-NZ 3.39Å; T102-K150 HydrophobicContact CG2-CB 3.92Å; T102-K150 HydrophobicContact CG2-CG 4.49Å; K150-S162 WeakPolarHBondContact CE-O 3.25Å; K150-S162 PolarHBondContact NZ-O 2.84Å; K150-K164 WeakPolarHBondContact CG-O 3.38Å
151F96.4Very high89.4Confident4 Ų460.7 Ų60.72%0.01830%0.304CS..PPolyproline II helixtrans-67.9144.4177.3-65.5-54.2000112K164 G165 F166 I183 H184 L185 F186 A209 Y212 V213F151-K164 HydrophobicContact CD2-CB 3.73Å; F151-K164 WeakPolarHBondContact CD2-O 3.42Å; F151-K164 HydrophobicContact CE2-CB 4.31Å; F151-K164 PolarHBondContact N-O 2.8Å; F151-G165 VanDerWaalsContact CE2-CA 3.48Å; F151-F166 HydrophobicContact CE1-CD1 4.31Å; F151-I183 HydrophobicContact CZ-CD1 4.41Å; F151-I183 HydrophobicContact CZ-CG1 4.3Å; F151-H184 WeakPolarHBondContact CE2-O 3.46Å; F151-L185 HydrophobicContact CE2-CD2 3.68Å; F151-L185 HydrophobicContact CZ-CD2 3.71Å; F151-F186 HydrophobicContact CB-CE2 3.75Å; F151-F186 HydrophobicContact CB-CZ 3.55Å; F151-F186 HydrophobicContact CD2-CD2 4.47Å; F151-F186 AromaticContact CD2-CE2 3.83Å; F151-F186 HydrophobicContact CD2-CE2 3.83Å; F151-F186 HydrophobicContact CD2-CZ 4.18Å; F151-F186 AromaticContact CG-CE2 3.98Å; F151-F186 HydrophobicContact CG-CE2 3.98Å; F151-F186 HydrophobicContact CG-CZ 4.23Å; F151-A209 HydrophobicContact CD1-CB 4.18Å; F151-A209 HydrophobicContact CD2-CB 4.31Å; F151-A209 HydrophobicContact CE1-CB 4.06Å; F151-A209 HydrophobicContact CE2-CB 4.22Å; F151-A209 HydrophobicContact CG-CB 4.32Å; F151-A209 HydrophobicContact CZ-CB 4.1Å; F151-Y212 AromaticContact CD1-CD1 3.98Å; F151-Y212 HydrophobicContact CD1-CD1 3.98Å; F151-Y212 HydrophobicContact CD1-CE1 4.23Å; F151-Y212 AromaticContact CE1-CD1 3.95Å; F151-Y212 HydrophobicContact CE1-CD1 3.95Å; F151-Y212 HydrophobicContact CE1-CE1 4.46Å; F151-V213 HydrophobicContact CE1-CG2 3.56Å; F151-V213 HydrophobicContact CZ-CG2 3.65Å
152P91.5Very high89.5Confident38 Ų3857.3 Ų57.325%0.24729%0.289CS..PPolyproline II helixtrans-57.1139.9177-26.836.5000113D154 Y155 Y212P152-D154 WeakPolarHBondContact CB-OD1 3.3Å; P152-D154 PolarHBondContact O-N 2.95Å; P152-Y155 HydrophobicContact CB-CD1 3.79Å; P152-Y155 HydrophobicContact CB-CE1 3.92Å; P152-Y155 HydrophobicContact CB-CG 4.47Å; P152-Y155 HydrophobicContact CG-CD1 4.16Å; P152-Y155 HydrophobicContact CG-CE1 3.85Å; P152-Y155 WeakPolarHBondContact O-CB 3.46Å; P152-Y155 PolarHBondContact O-N 2.83Å; P152-Y155 VanDerWaalsContact O-N 3.12Å; P152-Y212 HydrophobicContact CG-CE2 4.24Å
153Q87.2Confident89.7Confident74 Ų7455.5 Ų55.535%0.34627%0.267SS..G310 helixtrans-64-29.1-177-177.356.246.100112.9Y155 F156 C159Q153-Y155 PolarHBondContact O-N 2.9Å; Q153-F156 PolarHBondContact NE2-O 2.9Å; Q153-F156 CarbonylContact O-C 3.36Å; Q153-F156 PolarHBondContact O-N 3.29Å; Q153-C159 PolarHBondContact NE2-O 2.93Å
154D89.9Confident89.9Confident102 Ų10255.4 Ų55.455%0.54527%0.265SS..G310 helixtrans-70.2-10.5177.668.4-55.2000113.2P152 F156 K208P152-D154 WeakPolarHBondContact CB-OD1 3.3Å; P152-D154 PolarHBondContact O-N 2.95Å; D154-F156 VanDerWaalsContact C-N 3.31Å; D154-K208 IonicContact OD2-NZ 2.83Å
155Y90.6Very high90Very high36 Ų3653.2 Ų53.214%0.14125%0.251CS..G310 helixtrans-73.5-28.7174.7-77.532000111.3P152 Q153 I205 K208 A209 Y212P152-Y155 HydrophobicContact CB-CD1 3.79Å; P152-Y155 HydrophobicContact CB-CE1 3.92Å; P152-Y155 HydrophobicContact CB-CG 4.47Å; P152-Y155 HydrophobicContact CG-CD1 4.16Å; P152-Y155 HydrophobicContact CG-CE1 3.85Å; P152-Y155 WeakPolarHBondContact O-CB 3.46Å; P152-Y155 PolarHBondContact O-N 2.83Å; P152-Y155 VanDerWaalsContact O-N 3.12Å; Q153-Y155 PolarHBondContact O-N 2.9Å; Y155-I205 WeakPolarHBondContact O-CG1 3.18Å; Y155-I205 WeakPolarHBondContact O-CG2 3.44Å; Y155-K208 HydrophobicContact CD1-CD 4.05Å; Y155-K208 VanDerWaalsContact CD1-NZ 3.25Å; Y155-K208 HydrophobicContact CD2-CB 4.39Å; Y155-K208 HydrophobicContact CD2-CD 3.83Å; Y155-K208 HydrophobicContact CD2-CG 4.02Å; Y155-K208 HydrophobicContact CE1-CD 3.99Å; Y155-K208 HydrophobicContact CE2-CB 4.33Å; Y155-K208 HydrophobicContact CE2-CD 3.76Å; Y155-K208 HydrophobicContact CE2-CG 3.63Å; Y155-K208 HydrophobicContact CG-CD 3.97Å; Y155-K208 VanDerWaalsContact CZ-CE 3.43Å; Y155-A209 HydrophobicContact CD2-CB 4.32Å; Y155-Y212 HydrophobicContact CE2-CD2 4.35Å; Y155-Y212 HydrophobicContact CE2-CG 4.5Å; Y155-Y212 VanDerWaalsContact OH-CD2 3.3Å; Y155-Y212 WeakPolarHBondContact OH-CD2 3.31Å
156F88.2Confident90.1Very high5 Ų552.2 Ų52.22%0.02225%0.246CC..SBendtrans-140.775174.3-162.9177.9000111.1Q153 D154 E158 C159 F186 H187 A189 Y202 I205Q153-F156 PolarHBondContact NE2-O 2.9Å; Q153-F156 CarbonylContact O-C 3.36Å; Q153-F156 PolarHBondContact O-N 3.29Å; D154-F156 VanDerWaalsContact C-N 3.31Å; F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 HydrophobicContact CD2-CB 4.27Å; F156-E158 WeakPolarHBondContact CD2-OE2 3.36Å; F156-E158 HydrophobicContact CE2-CB 3.96Å; F156-E158 WeakPolarHBondContact CE2-OE2 3.13Å; F156-E158 PolarHBondContact O-N 2.9Å; F156-C159 HydrophobicContact CB-CB 4.15Å; F156-C159 HydrophobicContact CD1-CB 3.66Å; F156-C159 HydrophobicContact CD2-CB 4.16Å; F156-C159 HydrophobicContact CE1-CB 4.09Å; F156-C159 HydrophobicContact CG-CB 3.7Å; F156-C159 WeakPolarHBondContact O-CB 3.14Å; F156-C159 PolarHBondContact O-N 3.35Å; F156-F186 HydrophobicContact CB-CD1 3.87Å; F156-F186 HydrophobicContact CB-CE1 3.82Å; F156-F186 HydrophobicContact CB-CG 4.38Å; F156-F186 HydrophobicContact CB-CZ 4.35Å; F156-F186 HydrophobicContact CD1-CB 3.96Å; F156-F186 AromaticContact CD1-CD1 3.67Å; F156-F186 HydrophobicContact CD1-CD1 3.67Å; F156-F186 HydrophobicContact CD1-CE1 4.42Å; F156-F186 HydrophobicContact CD1-CG 4.06Å; F156-F186 HydrophobicContact CE1-CB 4.47Å; F156-F186 HydrophobicContact CG-CD1 4.29Å; F156-H187 WeakPolarHBondContact CE1-O 3.47Å; F156-A189 HydrophobicContact CZ-CB 3.92Å; F156-Y202 HydrophobicContact CE1-CD1 4.37Å; F156-Y202 HydrophobicContact CE2-CD1 4.23Å; F156-Y202 AromaticContact CE2-CE1 3.93Å; F156-Y202 HydrophobicContact CE2-CE1 3.93Å; F156-Y202 AromaticContact CZ-CD1 3.74Å; F156-Y202 HydrophobicContact CZ-CD1 3.74Å; F156-Y202 AromaticContact CZ-CE1 3.55Å; F156-Y202 HydrophobicContact CZ-CE1 3.55Å; F156-I205 HydrophobicContact CB-CD1 4.32Å; F156-I205 HydrophobicContact CB-CG2 4.24Å; F156-I205 HydrophobicContact CD1-CD1 4.5Å; F156-I205 HydrophobicContact CD2-CD1 3.74Å; F156-I205 HydrophobicContact CE2-CD1 4.12Å; F156-I205 HydrophobicContact CG-CD1 3.96Å
157P83.8Confident90.1Very high84 Ų8451.8 Ų51.855%0.54524%0.244SC..THydrogen-bonded Turntrans-58.9-31.7-172.1-24.835.2000114.4C159P157-C159 PolarHBondContact O-N 2.81Å
158E82.6Confident90.2Very high145 Ų14550.3 Ų50.368%0.67824%0.237SC*.THydrogen-bonded Turntrans-68.9-22.6178.5-58.581.917900112.4F156 K160F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 HydrophobicContact CD2-CB 4.27Å; F156-E158 WeakPolarHBondContact CD2-OE2 3.36Å; F156-E158 HydrophobicContact CE2-CB 3.96Å; F156-E158 WeakPolarHBondContact CE2-OE2 3.13Å; F156-E158 PolarHBondContact O-N 2.9Å; E158-K160 PolarHBondContact O-N 2.88Å
159C81Confident90.3Very high22 Ų2249.1 Ų49.115%0.14923%0.232CC..  trans-88.679.9179.3-171.90000110.6Q153 F156 P157 W161Q153-C159 PolarHBondContact NE2-O 2.93Å; F156-C159 HydrophobicContact CB-CB 4.15Å; F156-C159 HydrophobicContact CD1-CB 3.66Å; F156-C159 HydrophobicContact CD2-CB 4.16Å; F156-C159 HydrophobicContact CE1-CB 4.09Å; F156-C159 HydrophobicContact CG-CB 3.7Å; F156-C159 WeakPolarHBondContact O-CB 3.14Å; F156-C159 PolarHBondContact O-N 3.35Å; P157-C159 PolarHBondContact O-N 2.81Å; C159-W161 PolarHBondContact O-N 2.88Å; C159-W161 PolarHBondContact SG-O 2.87Å
160K74.2Confident90.5Very high173 Ų17346.3 Ų46.375%0.75222%0.218SC*.SBendtrans-45.8-34-175.1-65.9-174.1178.8-177.20115.4E158E158-K160 PolarHBondContact O-N 2.88Å
161W76.2Confident90.6Very high174 Ų17444.7 Ų44.766%0.65921%0.212SC*.SBendtrans-135.7112.5178.6-58.5108.2000109.6Q98 C159Q98-W161 HydrophobicContact CB-CE3 4.37Å; Q98-W161 HydrophobicContact CB-CZ3 3.91Å; Q98-W161 HydrophobicContact CG-CE3 4.46Å; Q98-W161 HydrophobicContact CG-CZ3 4.1Å; C159-W161 PolarHBondContact O-N 2.88Å; C159-W161 PolarHBondContact SG-O 2.87Å
162S84.9Confident90.5Very high7 Ų745.5 Ų45.55%0.04922%0.217CC..  trans-112.2146.4176176.40000111.1K150 K164 F186K150-S162 WeakPolarHBondContact CE-O 3.25Å; K150-S162 PolarHBondContact NZ-O 2.84Å; S162-K164 WeakPolarHBondContact OG-CB 3.38Å; S162-K164 VanDerWaalsContact OG-CG 3.28Å; S162-K164 WeakPolarHBondContact OG-CG 3.45Å; S162-K164 PolarHBondContact OG-N 2.88Å; S162-F186 WeakPolarHBondContact OG-CE1 3.1Å
163R91.3Very high90.5Very high60 Ų6043.7 Ų43.723%0.22621%0.205CC..  trans-111.713.7169.2-61.4176.3-79.2117-8.4111E55 Y61 F101 T102E55-R163 IonicContact OE2-CZ 3.11Å; E55-R163 IonicContact OE2-NH1 3.15Å; E55-R163 PolarHBondContact OE2-NH1 3.19Å; E55-R163 IonicContact OE2-NH2 2.79Å; E55-R163 PolarHBondContact OE2-NH2 3.46Å; Y61-R163 WeakPolarHBondContact OH-CD 3.22Å; Y61-R163 PolarHBondContact OH-NE 2.91Å; Y61-R163 PolarHBondContact OH-NH1 2.79Å; F101-R163 HydrophobicContact CD1-CG 3.98Å; F101-R163 HydrophobicContact CE1-CG 4.06Å; T102-R163 CarbonylContact C-O 3.59Å; T102-R163 WeakPolarHBondContact CA-O 3.15Å
164K95.8Very high90.4Very high13 Ų1341.3 Ų41.36%0.05720%0.198CC..  trans-80.4137.1-172.5-56.4-47.4-172.6-168.30110.1K150 F151 S162 H184 L185 F186K150-K164 WeakPolarHBondContact CG-O 3.38Å; F151-K164 HydrophobicContact CD2-CB 3.73Å; F151-K164 WeakPolarHBondContact CD2-O 3.42Å; F151-K164 HydrophobicContact CE2-CB 4.31Å; F151-K164 PolarHBondContact N-O 2.8Å; S162-K164 WeakPolarHBondContact OG-CB 3.38Å; S162-K164 VanDerWaalsContact OG-CG 3.28Å; S162-K164 WeakPolarHBondContact OG-CG 3.45Å; S162-K164 PolarHBondContact OG-N 2.88Å; K164-H184 VanDerWaalsContact CA-O 3.32Å; K164-H184 WeakPolarHBondContact CA-O 3.49Å; K164-H184 WeakPolarHBondContact CB-O 3.47Å; K164-H184 HydrophobicContact CD-CB 4.48Å; K164-H184 PolarHBondContact NZ-CE1 2.67Å; K164-H184 PolarHBondContact NZ-NE2 3.27Å; K164-L185 WeakPolarHBondContact CD-O 3.5Å; K164-L185 WeakPolarHBondContact CE-O 3.31Å; K164-F186 HydrophobicContact CB-CD1 3.99Å; K164-F186 HydrophobicContact CB-CE1 3.97Å; K164-F186 HydrophobicContact CB-CG 4.4Å; K164-F186 HydrophobicContact CB-CZ 4.31Å; K164-F186 HydrophobicContact CG-CD1 3.69Å; K164-F186 HydrophobicContact CG-CE1 4.1Å; K164-F186 HydrophobicContact CG-CG 4.2Å
165G97.7Very high90.2Very high0 Ų040.5 Ų40.50%019%0.194CC..EExtended strand (participates in β ladder)trans179.4-162.9-174.300000112.3E149 F151 H184E149-G165 CarbonylContact O-C 3.43Å; E149-G165 WeakPolarHBondContact O-CA 3.46Å; F151-G165 VanDerWaalsContact CE2-CA 3.48Å; G165-H184 PolarHBondContact N-O 3.3Å; G165-H184 VanDerWaalsContact N-O 3.13Å; G165-H184 PolarHBondContact O-N 3.06Å
166F98.6Very high90.2Very high1 Ų138.9 Ų38.90%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-146.6157.3174.976.5-84.2000112.7K148 E149 F151 R168 V181 N182 I183 Y212 V213 R216K148-F166 WeakPolarHBondContact CA-O 3.5Å; E149-F166 HydrophobicContact CB-CD1 4.32Å; E149-F166 HydrophobicContact CB-CE1 3.65Å; E149-F166 HydrophobicContact CB-CZ 4.08Å; E149-F166 HydrophobicContact CG-CE1 4.13Å; E149-F166 HydrophobicContact CG-CZ 4.09Å; E149-F166 PolarHBondContact N-O 3.49Å; E149-F166 VanDerWaalsContact N-O 3.12Å; E149-F166 PolarHBondContact O-N 3.13Å; F151-F166 HydrophobicContact CE1-CD1 4.31Å; F166-R168 HydrophobicContact CD2-CB 4.32Å; F166-R168 HydrophobicContact CE2-CB 4.13Å; F166-V181 HydrophobicContact CB-CG1 4.1Å; F166-V181 HydrophobicContact CD2-CG1 3.92Å; F166-V181 HydrophobicContact CG-CG1 4.37Å; F166-N182 CarbonylContact C-O 3.6Å; F166-N182 WeakPolarHBondContact CA-O 3.43Å; F166-N182 VanDerWaalsContact CB-O 3.29Å; F166-N182 WeakPolarHBondContact CB-O 3.37Å; F166-I183 HydrophobicContact CB-CB 4.43Å; F166-I183 HydrophobicContact CB-CG1 4.25Å; F166-Y212 HydrophobicContact CE1-CE1 4.22Å; F166-V213 HydrophobicContact CB-CG1 4.47Å; F166-V213 HydrophobicContact CB-CG2 4.17Å; F166-V213 HydrophobicContact CD1-CB 4.47Å; F166-V213 HydrophobicContact CD1-CG1 4.39Å; F166-V213 HydrophobicContact CD1-CG2 3.56Å; F166-V213 HydrophobicContact CD2-CG1 4.25Å; F166-V213 HydrophobicContact CE1-CG2 4.18Å; F166-V213 HydrophobicContact CG-CG1 4.1Å; F166-V213 HydrophobicContact CG-CG2 3.92Å; F166-R216 HydrophobicContact CZ-CB 4.33Å
167I98.5Very high90.5Very high0 Ų039.9 Ų39.90%020%0.197CC..EExtended strand (participates in β ladder)trans-123.3124.7166.5-65.1172.7000108.1L104 L140 L146 E147 K148 T169 V181 N182L104-I167 HydrophobicContact CB-CD1 3.6Å; L104-I167 HydrophobicContact CB-CG1 4.18Å; L104-I167 HydrophobicContact CD1-CD1 4.36Å; L104-I167 HydrophobicContact CD1-CG1 4Å; L140-I167 HydrophobicContact CD1-CD1 4Å; L146-I167 HydrophobicContact CB-CG2 4.2Å; L146-I167 HydrophobicContact CD1-CG2 4.44Å; L146-I167 HydrophobicContact CD2-CG2 4.11Å; L146-I167 HydrophobicContact CG-CG2 4.5Å; E147-I167 CarbonylContact O-C 3.51Å; E147-I167 WeakPolarHBondContact O-CA 3.43Å; K148-I167 HydrophobicContact CB-CG1 4.15Å; K148-I167 HydrophobicContact CD-CG1 4.24Å; K148-I167 HydrophobicContact CG-CG1 3.84Å; I167-T169 HydrophobicContact CG2-CG2 4.47Å; I167-V181 CarbonylContact O-C 3.48Å; I167-V181 VanDerWaalsContact O-CA 3.3Å; I167-V181 WeakPolarHBondContact O-CA 3.4Å; I167-N182 HydrophobicContact CB-CB 4.38Å; I167-N182 PolarHBondContact N-O 3.17Å; I167-N182 PolarHBondContact O-N 3.2Å
168R98.4Very high91.2Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-105.9132.4172176.2-168.8-176.9173.618110.2F122 L146 E147 F166 D179 L180 V181 R216 I217F122-R168 HydrophobicContact CZ-CG 4.1Å; L146-R168 CarbonylContact C-O 3.54Å; L146-R168 WeakPolarHBondContact CA-O 3.32Å; L146-R168 VanDerWaalsContact CB-O 3.31Å; L146-R168 WeakPolarHBondContact CB-O 3.25Å; E147-R168 HydrophobicContact CB-CB 4.36Å; E147-R168 PolarHBondContact N-O 3.46Å; E147-R168 PolarHBondContact O-N 3.33Å; E147-R168 WeakPolarHBondContact OE2-CD 3.32Å; E147-R168 IonicContact OE2-CZ 3.63Å; E147-R168 IonicContact OE2-NE 3.45Å; E147-R168 IonicContact OE2-NH1 2.71Å; E147-R168 PolarHBondContact OE2-NH1 2.77Å; F166-R168 HydrophobicContact CD2-CB 4.32Å; F166-R168 HydrophobicContact CE2-CB 4.13Å; R168-D179 HydrophobicContact CG-CB 4.46Å; R168-D179 IonicContact CZ-OD1 3.4Å; R168-D179 IonicContact CZ-OD2 3.39Å; R168-D179 VanDerWaalsContact NE-CG 3.34Å; R168-D179 IonicContact NE-OD1 3.02Å; R168-D179 PolarHBondContact NE-OD1 3.36Å; R168-D179 IonicContact NE-OD2 2.83Å; R168-D179 PolarHBondContact NE-OD2 2.79Å; R168-D179 IonicContact NH2-OD1 2.79Å; R168-D179 IonicContact NH2-OD2 2.89Å; R168-D179 PolarHBondContact NH2-OD2 3.41Å; R168-L180 WeakPolarHBondContact CA-O 3.25Å; R168-V181 HydrophobicContact CB-CG2 4.1Å; R168-V181 HydrophobicContact CG-CG2 4.02Å; R168-R216 PolarHBondContact NH1-O 2.81Å; R168-I217 PolarHBondContact NH2-O 3.02Å
169T98.7Very high91.9Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-123.6157.4164630000109.9Y90 Y108 L146 I167 W171 D179 L180Y90-T169 HydrophobicContact CD2-CG2 4.46Å; Y90-T169 HydrophobicContact CE2-CG2 4.24Å; Y108-T169 HydrophobicContact CE2-CG2 3.82Å; Y108-T169 WeakPolarHBondContact OH-CG2 3.33Å; Y108-T169 PolarHBondContact OH-OG1 3.29Å; L146-T169 HydrophobicContact CB-CG2 3.96Å; I167-T169 HydrophobicContact CG2-CG2 4.47Å; T169-W171 PolarHBondContact OG1-NE1 2.78Å; T169-D179 CarbonylContact O-C 3.56Å; T169-D179 WeakPolarHBondContact O-CA 3.32Å; T169-L180 PolarHBondContact N-O 3.24Å; T169-L180 PolarHBondContact O-N 3.31Å
170R98.6Very high92.8Very high1 Ų128 Ų280%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-125131175.6177.8173.9-70.2-162.7-6.9110.7Q119 F120 F122 Y127 D179 E223 V225Q119-R170 CarbonylContact C-O 3.46Å; Q119-R170 WeakPolarHBondContact CA-O 3.42Å; F120-R170 HydrophobicContact CB-CB 3.57Å; F120-R170 HydrophobicContact CB-CG 3.73Å; F120-R170 HydrophobicContact CG-CB 4.31Å; F120-R170 HydrophobicContact CG-CG 4.26Å; F120-R170 PolarHBondContact N-O 2.82Å; F122-R170 HydrophobicContact CE2-CB 4.25Å; F122-R170 HydrophobicContact CZ-CB 3.89Å; Y127-R170 HydrophobicContact CE1-CG 4.27Å; Y127-R170 WeakPolarHBondContact OH-CD 3.3Å; R170-D179 WeakPolarHBondContact CB-OD1 3.3Å; R170-D179 WeakPolarHBondContact CG-OD1 3.45Å; R170-D179 IonicContact CZ-OD1 3.59Å; R170-D179 IonicContact CZ-OD2 2.67Å; R170-D179 IonicContact NE-OD1 3.49Å; R170-D179 PolarHBondContact NE-OD1 3.02Å; R170-D179 IonicContact NE-OD2 3.98Å; R170-D179 IonicContact NH2-OD1 3.33Å; R170-D179 PolarHBondContact NH2-OD1 2.86Å; R170-D179 IonicContact NH2-OD2 2.85Å; R170-D179 PolarHBondContact NH2-OD2 3.11Å; R170-E223 VanDerWaalsContact CZ-O 3.31Å; R170-E223 PolarHBondContact NH1-O 3.25Å; R170-E223 PolarHBondContact NH2-O 3.29Å; R170-V225 VanDerWaalsContact NH2-CG2 3.34Å
171W98Very high94Very high0 Ų019.7 Ų19.70%010%0.096CC..EExtended strand (participates in β ladder)trans-122.9148.5-175.1-65.286.1000110.5F48 R88 Y108 L110 I117 Y118 Q119 V130 T169 I173 A177 F178F48-W171 AromaticContact CE2-CD2 3.89Å; F48-W171 HydrophobicContact CE2-CD2 3.89Å; F48-W171 AromaticContact CE2-CE3 3.76Å; F48-W171 HydrophobicContact CE2-CE3 3.76Å; F48-W171 HydrophobicContact CE2-CG 4.35Å; F48-W171 HydrophobicContact CE2-CZ3 4.1Å; F48-W171 AromaticContact CZ-CD2 3.93Å; F48-W171 HydrophobicContact CZ-CD2 3.93Å; F48-W171 HydrophobicContact CZ-CE3 4.29Å; F48-W171 HydrophobicContact CZ-CG 4.03Å; R88-W171 HydrophobicContact CB-CH2 3.96Å; R88-W171 HydrophobicContact CB-CZ2 4.3Å; R88-W171 HydrophobicContact CG-CH2 3.76Å; R88-W171 HydrophobicContact CG-CZ2 4.48Å; Y108-W171 AromaticContact CD1-CE2 3.87Å; Y108-W171 AromaticContact CD1-CZ2 3.8Å; Y108-W171 HydrophobicContact CD1-CZ2 3.8Å; Y108-W171 AromaticContact CD1-NE1 3.76Å; Y108-W171 HydrophobicContact CD2-CH2 4.37Å; Y108-W171 AromaticContact CD2-CZ2 3.52Å; Y108-W171 HydrophobicContact CD2-CZ2 3.52Å; Y108-W171 HydrophobicContact CE1-CZ2 4.38Å; Y108-W171 AromaticContact CE1-NE1 3.65Å; Y108-W171 HydrophobicContact CE2-CZ2 4.12Å; Y108-W171 AromaticContact CG-CE2 3.9Å; Y108-W171 HydrophobicContact CG-CH2 4.04Å; Y108-W171 AromaticContact CG-CZ2 3.32Å; Y108-W171 HydrophobicContact CG-CZ2 3.32Å; Y108-W171 AromaticContact CZ-NE1 3.95Å; L110-W171 HydrophobicContact CD1-CH2 4.47Å; L110-W171 HydrophobicContact CD1-CZ3 4.38Å; L110-W171 HydrophobicContact CD2-CZ3 3.99Å; I117-W171 HydrophobicContact CG2-CE3 4.37Å; I117-W171 HydrophobicContact CG2-CZ3 4.3Å; Y118-W171 CarbonylContact O-C 3.49Å; Y118-W171 WeakPolarHBondContact O-CA 3.41Å; Q119-W171 HydrophobicContact CB-CE3 4.22Å; Q119-W171 HydrophobicContact CB-CH2 4.39Å; Q119-W171 HydrophobicContact CB-CZ3 4.18Å; Q119-W171 HydrophobicContact CG-CD2 4.4Å; Q119-W171 HydrophobicContact CG-CH2 4.37Å; Q119-W171 HydrophobicContact CG-CZ2 4.18Å; V130-W171 HydrophobicContact CG1-CZ3 4.48Å; V130-W171 HydrophobicContact CG2-CZ3 3.83Å; T169-W171 PolarHBondContact OG1-NE1 2.78Å; W171-I173 HydrophobicContact CB-CG1 4.28Å; W171-I173 HydrophobicContact CE3-CD1 4.29Å; W171-A177 CarbonylContact O-C 3.52Å; W171-A177 VanDerWaalsContact O-CA 3.25Å; W171-A177 WeakPolarHBondContact O-CA 3.43Å; W171-F178 HydrophobicContact CB-CE2 4.15Å; W171-F178 HydrophobicContact CB-CZ 4.25Å; W171-F178 PolarHBondContact N-O 3.15Å; W171-F178 PolarHBondContact O-N 3.49Å
172C95.4Very high95.1Very high20 Ų2011.4 Ų11.414%0.1357%0.065CC..EExtended strand (participates in β ladder)trans-122108.4164.5-178.60000108.5Y118 Y127 C176Y118-C172 PolarHBondContact N-O 3.02Å; Y118-C172 PolarHBondContact O-N 2.81Å; Y127-C172 HydrophobicContact CD1-CB 3.81Å; Y127-C172 HydrophobicContact CE1-CB 3.59Å; C172-C176 WeakPolarHBondContact CA-O 3.36Å
173I91.6Very high95.7Very high0 Ų011.1 Ų11.10%06%0.062CC..EExtended strand (participates in β ladder)trans-123.9131.2-179.4-51.2-63.1000108T10 F48 L110 L114 I117 W171 D175 C176 F178T10-I173 HydrophobicContact CG2-CG2 3.91Å; F48-I173 HydrophobicContact CD2-CD1 3.76Å; F48-I173 HydrophobicContact CD2-CG1 3.97Å; F48-I173 HydrophobicContact CE2-CD1 4.04Å; F48-I173 HydrophobicContact CE2-CG1 4.24Å; F48-I173 HydrophobicContact CG-CD1 4.46Å; F48-I173 HydrophobicContact CG-CG1 4.24Å; L110-I173 HydrophobicContact CD2-CD1 4.45Å; L114-I173 HydrophobicContact CD1-CG2 4.42Å; L114-I173 HydrophobicContact CD2-CG2 4.39Å; I117-I173 HydrophobicContact CB-CD1 4.13Å; I117-I173 HydrophobicContact CG1-CD1 4.2Å; I117-I173 HydrophobicContact CG2-CD1 3.38Å; W171-I173 HydrophobicContact CB-CG1 4.28Å; W171-I173 HydrophobicContact CE3-CD1 4.29Å; I173-D175 PolarHBondContact O-N 3.08Å; I173-C176 PolarHBondContact N-O 3.4Å; I173-C176 WeakPolarHBondContact O-CB 3.36Å; I173-C176 PolarHBondContact O-N 2.76Å; I173-F178 HydrophobicContact CB-CE1 4.17Å; I173-F178 HydrophobicContact CB-CZ 4.35Å; I173-F178 HydrophobicContact CG1-CE1 4.19Å; I173-F178 HydrophobicContact CG1-CZ 3.94Å
174A84.7Confident96.1Very high24 Ų248.2 Ų8.220%0.1985%0.052CC..THydrogen-bonded Turntrans51.842.3-179.400000113.1T10 C176T10-A174 WeakPolarHBondContact OG1-CB 3.31Å; A174-C176 PolarHBondContact O-N 2.89Å
175D85.8Confident96.2Very high85 Ų857.6 Ų7.646%0.4555%0.049SC..THydrogen-bonded Turntrans58.821-176.4-52.5-36.3000114.5I173I173-D175 PolarHBondContact O-N 3.08Å
176C90.9Very high96.2Very high3 Ų37.8 Ų7.82%0.025%0.05CC..EExtended strand (participates in β ladder)trans-112.5118.2174-168.40000109.7C172 I173 A174 F178 L360 I394C172-C176 WeakPolarHBondContact CA-O 3.36Å; I173-C176 PolarHBondContact N-O 3.4Å; I173-C176 WeakPolarHBondContact O-CB 3.36Å; I173-C176 PolarHBondContact O-N 2.76Å; A174-C176 PolarHBondContact O-N 2.89Å; C176-F178 WeakPolarHBondContact O-CD1 3.38Å; C176-L360 VanDerWaalsContact SG-CD1 3.54Å; C176-I394 HydrophobicContact CB-CG2 4.01Å
177A94.9Very high96Very high25 Ų2510.9 Ų10.921%0.2076%0.064CC..EExtended strand (participates in β ladder)trans-87.5134173.600000110.8Y127 W171 V225Y127-A177 VanDerWaalsContact OH-CB 3.24Å; Y127-A177 WeakPolarHBondContact OH-CB 3.38Å; W171-A177 CarbonylContact O-C 3.52Å; W171-A177 VanDerWaalsContact O-CA 3.25Å; W171-A177 WeakPolarHBondContact O-CA 3.43Å; A177-V225 HydrophobicContact CB-CB 4.29Å; A177-V225 HydrophobicContact CB-CG1 3.78Å
178F97.2Very high95.8Very high1 Ų111 Ų110%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-154153173.354-90.1000112.4F48 W171 I173 C176 L180 S226 F228 I394F48-F178 HydrophobicContact CE1-CE2 4.3Å; F48-F178 HydrophobicContact CE1-CZ 4.34Å; W171-F178 HydrophobicContact CB-CE2 4.15Å; W171-F178 HydrophobicContact CB-CZ 4.25Å; W171-F178 PolarHBondContact N-O 3.15Å; W171-F178 PolarHBondContact O-N 3.49Å; I173-F178 HydrophobicContact CB-CE1 4.17Å; I173-F178 HydrophobicContact CB-CZ 4.35Å; I173-F178 HydrophobicContact CG1-CE1 4.19Å; I173-F178 HydrophobicContact CG1-CZ 3.94Å; C176-F178 WeakPolarHBondContact O-CD1 3.38Å; F178-L180 HydrophobicContact CD2-CD2 3.7Å; F178-L180 HydrophobicContact CD2-CG 3.92Å; F178-L180 HydrophobicContact CE2-CD1 4.01Å; F178-L180 HydrophobicContact CE2-CD2 3.73Å; F178-L180 HydrophobicContact CE2-CG 3.86Å; F178-S226 CarbonylContact C-O 3.52Å; F178-S226 WeakPolarHBondContact CA-O 3.43Å; F178-S226 WeakPolarHBondContact CB-O 3.42Å; F178-F228 HydrophobicContact CB-CE2 4.46Å; F178-F228 HydrophobicContact CD2-CD2 4.27Å; F178-F228 HydrophobicContact CD2-CE2 4.34Å; F178-F228 HydrophobicContact CG-CE2 4.42Å; F178-I394 HydrophobicContact CD1-CD1 4.39Å; F178-I394 HydrophobicContact CE1-CD1 3.75Å; F178-I394 HydrophobicContact CZ-CD1 4.32Å
179D98.6Very high95.7Very high0 Ų012.4 Ų12.40%08%0.076CC..EExtended strand (participates in β ladder)trans-90.4143171.1-65.6-47.9000110.8R168 T169 R170 V225 S226 Y227 F228R168-D179 HydrophobicContact CG-CB 4.46Å; R168-D179 IonicContact CZ-OD1 3.4Å; R168-D179 IonicContact CZ-OD2 3.39Å; R168-D179 VanDerWaalsContact NE-CG 3.34Å; R168-D179 IonicContact NE-OD1 3.02Å; R168-D179 PolarHBondContact NE-OD1 3.36Å; R168-D179 IonicContact NE-OD2 2.83Å; R168-D179 PolarHBondContact NE-OD2 2.79Å; R168-D179 IonicContact NH2-OD1 2.79Å; R168-D179 IonicContact NH2-OD2 2.89Å; R168-D179 PolarHBondContact NH2-OD2 3.41Å; T169-D179 CarbonylContact O-C 3.56Å; T169-D179 WeakPolarHBondContact O-CA 3.32Å; R170-D179 WeakPolarHBondContact CB-OD1 3.3Å; R170-D179 WeakPolarHBondContact CG-OD1 3.45Å; R170-D179 IonicContact CZ-OD1 3.59Å; R170-D179 IonicContact CZ-OD2 2.67Å; R170-D179 IonicContact NE-OD1 3.49Å; R170-D179 PolarHBondContact NE-OD1 3.02Å; R170-D179 IonicContact NE-OD2 3.98Å; R170-D179 IonicContact NH2-OD1 3.33Å; R170-D179 PolarHBondContact NH2-OD1 2.86Å; R170-D179 IonicContact NH2-OD2 2.85Å; R170-D179 PolarHBondContact NH2-OD2 3.11Å; D179-V225 HydrophobicContact CB-CG2 4.43Å; D179-V225 WeakPolarHBondContact OD2-CG2 3.34Å; D179-S226 PolarHBondContact N-O 3.24Å; D179-Y227 WeakPolarHBondContact O-CA 3.42Å; D179-F228 PolarHBondContact O-N 3.02Å
180L98.9Very high95.6Very high0 Ų012.9 Ų12.90%08%0.08CC..EExtended strand (participates in β ladder)trans-120.5124.1169.2-59176.7000107.9L14 F48 A50 Y108 R168 T169 F178 F228 F230L14-L180 HydrophobicContact CD1-CD2 4.48Å; L14-L180 HydrophobicContact CD2-CD2 3.92Å; F48-L180 HydrophobicContact CE1-CD1 3.73Å; F48-L180 HydrophobicContact CZ-CD1 3.79Å; A50-L180 HydrophobicContact CB-CD1 3.76Å; Y108-L180 HydrophobicContact CD1-CD1 4.05Å; Y108-L180 HydrophobicContact CE1-CB 4.33Å; Y108-L180 HydrophobicContact CE1-CD1 3.58Å; R168-L180 WeakPolarHBondContact CA-O 3.25Å; T169-L180 PolarHBondContact N-O 3.24Å; T169-L180 PolarHBondContact O-N 3.31Å; F178-L180 HydrophobicContact CD2-CD2 3.7Å; F178-L180 HydrophobicContact CD2-CG 3.92Å; F178-L180 HydrophobicContact CE2-CD1 4.01Å; F178-L180 HydrophobicContact CE2-CD2 3.73Å; F178-L180 HydrophobicContact CE2-CG 3.86Å; L180-F228 HydrophobicContact CD2-CB 3.99Å; L180-F228 HydrophobicContact CD2-CD2 3.92Å; L180-F228 HydrophobicContact CD2-CG 4.28Å; L180-F230 HydrophobicContact CB-CE1 4.1Å; L180-F230 HydrophobicContact CD2-CE1 3.92Å; L180-F230 HydrophobicContact CD2-CZ 4.45Å
181V98.9Very high95.5Very high0 Ų013.2 Ų13.20%08%0.081CC..EExtended strand (participates in β ladder)trans-122110.6-174.7-174.70000110.1F166 I167 R168 V213 I217 F228 V229 F230F166-V181 HydrophobicContact CB-CG1 4.1Å; F166-V181 HydrophobicContact CD2-CG1 3.92Å; F166-V181 HydrophobicContact CG-CG1 4.37Å; I167-V181 CarbonylContact O-C 3.48Å; I167-V181 VanDerWaalsContact O-CA 3.3Å; I167-V181 WeakPolarHBondContact O-CA 3.4Å; R168-V181 HydrophobicContact CB-CG2 4.1Å; R168-V181 HydrophobicContact CG-CG2 4.02Å; V181-V213 HydrophobicContact CG1-CG1 3.85Å; V181-I217 HydrophobicContact CG2-CD1 3.76Å; V181-I217 HydrophobicContact CG2-CG1 4.07Å; V181-F228 PolarHBondContact N-O 2.92Å; V181-V229 HydrophobicContact CB-CB 4.39Å; V181-V229 HydrophobicContact CB-CG1 4.16Å; V181-V229 HydrophobicContact CB-CG2 4.19Å; V181-V229 HydrophobicContact CG1-CG1 4.19Å; V181-V229 HydrophobicContact CG2-CG2 4.43Å; V181-F230 PolarHBondContact O-N 2.82Å
182N98.9Very high95.5Very high0 Ų013.9 Ų13.90%09%0.085CC..EExtended strand (participates in β ladder)trans-78.1123168.9-174-8.7000107.5H52 C53 Q54 G105 F166 I167 F230H52-N182 HydrophobicContact CB-CB 3.91Å; H52-N182 PolarHBondContact CE1-N 2.94Å; H52-N182 WeakPolarHBondContact ND1-CA 3.45Å; H52-N182 VanDerWaalsContact ND1-CB 3.28Å; H52-N182 WeakPolarHBondContact ND1-CB 3.31Å; H52-N182 PolarHBondContact ND1-N 3.31Å; C53-N182 PolarHBondContact N-ND2 3.1Å; C53-N182 PolarHBondContact O-ND2 3.17Å; C53-N182 VanDerWaalsContact O-ND2 3.07Å; Q54-N182 PolarHBondContact NE2-OD1 3.02Å; G105-N182 PolarHBondContact O-ND2 2.77Å; F166-N182 CarbonylContact C-O 3.6Å; F166-N182 WeakPolarHBondContact CA-O 3.43Å; F166-N182 VanDerWaalsContact CB-O 3.29Å; F166-N182 WeakPolarHBondContact CB-O 3.37Å; I167-N182 HydrophobicContact CB-CB 4.38Å; I167-N182 PolarHBondContact N-O 3.17Å; I167-N182 PolarHBondContact O-N 3.2Å; N182-F230 WeakPolarHBondContact CA-O 3.4Å
183I98.8Very high95.5Very high0 Ų015.1 Ų15.10%09%0.092CC..EExtended strand (participates in β ladder)trans-126.4145.8-178.7-164.5169.9000111.4F151 F166 L185 L210 V213 V229 F230 G231 D232 F233F151-I183 HydrophobicContact CZ-CD1 4.41Å; F151-I183 HydrophobicContact CZ-CG1 4.3Å; F166-I183 HydrophobicContact CB-CB 4.43Å; F166-I183 HydrophobicContact CB-CG1 4.25Å; I183-L185 HydrophobicContact CD1-CD1 4.47Å; I183-L185 HydrophobicContact CD1-CD2 3.53Å; I183-L185 HydrophobicContact CD1-CG 3.98Å; I183-L185 HydrophobicContact CG1-CD2 3.8Å; I183-L185 HydrophobicContact CG1-CG 4.09Å; I183-L210 HydrophobicContact CD1-CD1 3.91Å; I183-V213 HydrophobicContact CD1-CB 4.23Å; I183-V213 HydrophobicContact CD1-CG1 4.34Å; I183-V213 HydrophobicContact CD1-CG2 3.71Å; I183-V213 HydrophobicContact CG1-CG2 4.43Å; I183-V229 HydrophobicContact CB-CG1 4.19Å; I183-V229 HydrophobicContact CD1-CG1 4.23Å; I183-V229 HydrophobicContact CG2-CG1 3.85Å; I183-F230 PolarHBondContact N-O 3.19Å; I183-F230 VanDerWaalsContact N-O 3.14Å; I183-G231 WeakPolarHBondContact O-CA 3.31Å; I183-D232 PolarHBondContact O-N 3.17Å; I183-D232 VanDerWaalsContact O-N 3.14Å; I183-F233 HydrophobicContact CG2-CD2 4.18Å; I183-F233 HydrophobicContact CG2-CE1 4.12Å; I183-F233 HydrophobicContact CG2-CE2 3.77Å; I183-F233 HydrophobicContact CG2-CZ 3.73Å
184H98.8Very high95.7Very high0 Ų015.1 Ų15.10%09%0.092CC..EExtended strand (participates in β ladder)trans-137.6105.5169.2-172.5-176.7000109.6Q54 E55 L104 F151 K164 G165 D232Q54-H184 HydrophobicContact CB-CB 4.3Å; Q54-H184 HydrophobicContact CG-CB 3.84Å; E55-H184 VanDerWaalsContact CG-CE1 3.5Å; E55-H184 WeakPolarHBondContact CG-CE1 3.38Å; E55-H184 IonicContact OE1-CE1 2.71Å; L104-H184 HydrophobicContact CD2-CB 3.75Å; F151-H184 WeakPolarHBondContact CE2-O 3.46Å; K164-H184 VanDerWaalsContact CA-O 3.32Å; K164-H184 WeakPolarHBondContact CA-O 3.49Å; K164-H184 WeakPolarHBondContact CB-O 3.47Å; K164-H184 HydrophobicContact CD-CB 4.48Å; K164-H184 PolarHBondContact NZ-CE1 2.67Å; K164-H184 PolarHBondContact NZ-NE2 3.27Å; G165-H184 PolarHBondContact N-O 3.3Å; G165-H184 VanDerWaalsContact N-O 3.13Å; G165-H184 PolarHBondContact O-N 3.06Å; H184-D232 WeakPolarHBondContact CA-O 3.38Å; H184-D232 IonicContact CD2-OD2 3.43Å; H184-D232 IonicContact NE2-OD2 3.16Å; H184-D232 PolarHBondContact NE2-OD2 3.2Å
185L98.3Very high96.3Very high0 Ų016 Ų160%09%0.09CC..PPolyproline II helixtrans-88.8171.9-176.1-63.8-174.5000112.5F151 K164 I183 R206 A209 L210 D232 F233 N234 F235F151-L185 HydrophobicContact CE2-CD2 3.68Å; F151-L185 HydrophobicContact CZ-CD2 3.71Å; K164-L185 WeakPolarHBondContact CD-O 3.5Å; K164-L185 WeakPolarHBondContact CE-O 3.31Å; I183-L185 HydrophobicContact CD1-CD1 4.47Å; I183-L185 HydrophobicContact CD1-CD2 3.53Å; I183-L185 HydrophobicContact CD1-CG 3.98Å; I183-L185 HydrophobicContact CG1-CD2 3.8Å; I183-L185 HydrophobicContact CG1-CG 4.09Å; L185-R206 HydrophobicContact CB-CG 4.11Å; L185-R206 HydrophobicContact CD1-CB 4.23Å; L185-R206 HydrophobicContact CD1-CG 4.43Å; L185-A209 HydrophobicContact CD2-CB 3.82Å; L185-L210 HydrophobicContact CD1-CB 4.21Å; L185-D232 PolarHBondContact N-O 3.22Å; L185-F233 VanDerWaalsContact CB-O 3.27Å; L185-F233 WeakPolarHBondContact CB-O 3.47Å; L185-F233 HydrophobicContact CD1-CB 4.21Å; L185-F233 HydrophobicContact CD1-CD1 3.72Å; L185-F233 HydrophobicContact CD1-CG 4.32Å; L185-F233 WeakPolarHBondContact CD1-O 3.39Å; L185-N234 PolarHBondContact O-ND2 3.05Å; L185-F235 HydrophobicContact CD1-CE1 4.06Å
186F97.4Very high96.7Very high4 Ų418.1 Ų18.12%0.01810%0.097CC..PPolyproline II helixtrans-70.4140.9-177.9-61.6-81.7000113F151 F156 S162 K164 I205 R206 A209 N234F151-F186 HydrophobicContact CB-CE2 3.75Å; F151-F186 HydrophobicContact CB-CZ 3.55Å; F151-F186 HydrophobicContact CD2-CD2 4.47Å; F151-F186 AromaticContact CD2-CE2 3.83Å; F151-F186 HydrophobicContact CD2-CE2 3.83Å; F151-F186 HydrophobicContact CD2-CZ 4.18Å; F151-F186 AromaticContact CG-CE2 3.98Å; F151-F186 HydrophobicContact CG-CE2 3.98Å; F151-F186 HydrophobicContact CG-CZ 4.23Å; F156-F186 HydrophobicContact CB-CD1 3.87Å; F156-F186 HydrophobicContact CB-CE1 3.82Å; F156-F186 HydrophobicContact CB-CG 4.38Å; F156-F186 HydrophobicContact CB-CZ 4.35Å; F156-F186 HydrophobicContact CD1-CB 3.96Å; F156-F186 AromaticContact CD1-CD1 3.67Å; F156-F186 HydrophobicContact CD1-CD1 3.67Å; F156-F186 HydrophobicContact CD1-CE1 4.42Å; F156-F186 HydrophobicContact CD1-CG 4.06Å; F156-F186 HydrophobicContact CE1-CB 4.47Å; F156-F186 HydrophobicContact CG-CD1 4.29Å; S162-F186 WeakPolarHBondContact OG-CE1 3.1Å; K164-F186 HydrophobicContact CB-CD1 3.99Å; K164-F186 HydrophobicContact CB-CE1 3.97Å; K164-F186 HydrophobicContact CB-CG 4.4Å; K164-F186 HydrophobicContact CB-CZ 4.31Å; K164-F186 HydrophobicContact CG-CD1 3.69Å; K164-F186 HydrophobicContact CG-CE1 4.1Å; K164-F186 HydrophobicContact CG-CG 4.2Å; F186-I205 HydrophobicContact CB-CG2 3.98Å; F186-I205 HydrophobicContact CD2-CG2 3.48Å; F186-I205 VanDerWaalsContact CD2-CG2 3.48Å; F186-I205 HydrophobicContact CE2-CG2 4.08Å; F186-I205 HydrophobicContact CG-CG2 3.84Å; F186-R206 WeakPolarHBondContact O-CD 3.3Å; F186-R206 WeakPolarHBondContact O-CG 3.37Å; F186-R206 PolarHBondContact O-NH1 2.9Å; F186-A209 HydrophobicContact CD2-CB 4.12Å; F186-A209 HydrophobicContact CE2-CB 4.03Å; F186-N234 VanDerWaalsContact O-CB 3.29Å; F186-N234 WeakPolarHBondContact O-CB 3.05Å
187H94.7Very high96.8Very high66 Ų6620.7 Ų20.731%0.30611%0.113SC..PPolyproline II helixtrans-90.8165179.765.2-82.4000111.7F156 A189F156-H187 WeakPolarHBondContact CE1-O 3.47Å; H187-A189 PolarHBondContact O-N 2.85Å
188D95.3Very high96.5Very high2 Ų221.2 Ų21.21%0.01112%0.115CC..PPolyproline II helixtrans-80.4119.7172.1-6618.7000111.1S190 A194 Y202 R206 R236 R343D188-S190 VanDerWaalsContact C-N 3.35Å; D188-A194 WeakPolarHBondContact OD2-CB 3.41Å; D188-Y202 HydrophobicContact CB-CD2 3.55Å; D188-Y202 HydrophobicContact CB-CE2 3.98Å; D188-Y202 HydrophobicContact CB-CG 4.14Å; D188-Y202 VanDerWaalsContact CG-CD2 3.42Å; D188-Y202 VanDerWaalsContact OD1-CB 3.25Å; D188-Y202 WeakPolarHBondContact OD1-CB 3.45Å; D188-R206 IonicContact OD1-CZ 3.51Å; D188-R206 IonicContact OD1-NH1 2.81Å; D188-R206 PolarHBondContact OD1-NH1 2.87Å; D188-R206 IonicContact OD1-NH2 2.76Å; D188-R206 PolarHBondContact OD1-NH2 3.27Å; D188-R236 IonicContact OD2-NH1 3.92Å; D188-R343 PolarHBondContact O-NE 3.06Å; D188-R343 PolarHBondContact O-NH2 2.77Å
189A94.8Very high96.2Very high29 Ų2926.5 Ų26.524%0.2415%0.149CC..SBendtrans-76.3-20.6178.800000113.6F156 H187 Y202F156-A189 HydrophobicContact CZ-CB 3.92Å; H187-A189 PolarHBondContact O-N 2.85Å; A189-Y202 HydrophobicContact CB-CE1 4.1Å
190S96.4Very high96Very high11 Ų1127.1 Ų27.18%0.07715%0.154CC..  trans-150.4122.8-178.2-1790000112.5D188 L192 V193 A194 Y202 K283D188-S190 VanDerWaalsContact C-N 3.35Å; S190-L192 PolarHBondContact O-N 3.22Å; S190-L192 PolarHBondContact OG-N 3.24Å; S190-V193 PolarHBondContact O-N 3.36Å; S190-V193 PolarHBondContact OG-N 2.8Å; S190-A194 PolarHBondContact O-N 2.71Å; S190-Y202 PolarHBondContact N-OH 3.24Å; S190-Y202 WeakPolarHBondContact O-CE2 3.33Å; S190-K283 WeakPolarHBondContact CA-O 2.98Å
191N97.4Very high95.9Very high7 Ų730.7 Ų30.74%0.03718%0.176CC..Hα-helixtrans-62.7-33.3172.8-61-47.8000112A194 W195 L281 E282 K283 L285 T342 R343N191-A194 PolarHBondContact O-N 2.91Å; N191-W195 WeakPolarHBondContact O-CB 3.38Å; N191-W195 PolarHBondContact O-N 2.82Å; N191-L281 HydrophobicContact CB-CD1 3.63Å; N191-L281 HydrophobicContact CB-CG 4.02Å; N191-E282 WeakPolarHBondContact CB-O 3.14Å; N191-E282 PolarHBondContact ND2-O 2.9Å; N191-K283 PolarHBondContact N-O 3.46Å; N191-K283 VanDerWaalsContact N-O 3.08Å; N191-L285 PolarHBondContact ND2-N 3.22Å; N191-L285 PolarHBondContact ND2-O 3.23Å; N191-L285 VanDerWaalsContact ND2-O 3.13Å; N191-T342 PolarHBondContact ND2-O 2.9Å; N191-T342 VanDerWaalsContact ND2-O 3.15Å; N191-R343 WeakPolarHBondContact OD1-CD 2.98Å
192L97.2Very high95.8Very high14 Ų1431.6 Ų31.67%0.07318%0.179CC..Hα-helixtrans-64.4-45.7178.9-66.2169.9000111.3S190 A194 W195 E196 V263 V264 L266 L281S190-L192 PolarHBondContact O-N 3.22Å; S190-L192 PolarHBondContact OG-N 3.24Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-W195 PolarHBondContact O-N 2.86Å; L192-E196 VanDerWaalsContact O-CB 3.29Å; L192-E196 WeakPolarHBondContact O-CB 3.37Å; L192-E196 PolarHBondContact O-N 2.69Å; L192-V263 WeakPolarHBondContact CD1-O 3.32Å; L192-V263 HydrophobicContact CD2-CG1 4.44Å; L192-V264 WeakPolarHBondContact CD1-O 3.35Å; L192-L266 HydrophobicContact CD2-CD1 4.09Å; L192-L266 HydrophobicContact CD2-CG 3.84Å; L192-L281 HydrophobicContact CD2-CB 4.37Å; L192-L281 HydrophobicContact CD2-CD2 4.2Å; L192-L281 HydrophobicContact CD2-CG 4.16Å
193V96.4Very high95.7Very high46 Ų4632.7 Ų32.728%0.27919%0.187SC..Hα-helixtrans-66.1-41.8177.3175.60000110.1S190 W195 E196 T197 V201 Y202S190-V193 PolarHBondContact O-N 3.36Å; S190-V193 PolarHBondContact OG-N 2.8Å; V193-W195 VanDerWaalsContact C-N 3.3Å; V193-W195 PolarHBondContact O-N 2.91Å; V193-E196 PolarHBondContact O-N 3.36Å; V193-T197 HydrophobicContact CG1-CG2 4.22Å; V193-T197 WeakPolarHBondContact O-CB 3.33Å; V193-T197 PolarHBondContact O-N 2.89Å; V193-T197 PolarHBondContact O-OG1 2.77Å; V193-V201 HydrophobicContact CG1-CG1 3.82Å; V193-Y202 HydrophobicContact CB-CE2 4.02Å; V193-Y202 HydrophobicContact CG1-CE2 3.99Å
194A96.2Very high95.6Very high1 Ų134.8 Ų34.81%0.00821%0.209CC..Hα-helixtrans-60-40.6177.600000112.6D188 S190 N191 L192 S200 Y202D188-A194 WeakPolarHBondContact OD2-CB 3.41Å; S190-A194 PolarHBondContact O-N 2.71Å; N191-A194 PolarHBondContact O-N 2.91Å; L192-A194 VanDerWaalsContact C-N 3.35Å; A194-S200 WeakPolarHBondContact CA-OG 3.43Å; A194-Y202 HydrophobicContact CB-CD2 4.21Å; A194-Y202 HydrophobicContact CB-CE2 4.36Å
195W96.2Very high95.5Very high41 Ų4135.7 Ų35.716%0.15521%0.213CC..Hα-helixtrans-71.3-45.9175.8179.588.1000112.8N191 L192 V193 T197 M252 L266 F268 L281N191-W195 WeakPolarHBondContact O-CB 3.38Å; N191-W195 PolarHBondContact O-N 2.82Å; L192-W195 PolarHBondContact O-N 2.86Å; V193-W195 VanDerWaalsContact C-N 3.3Å; V193-W195 PolarHBondContact O-N 2.91Å; W195-T197 PolarHBondContact O-N 3Å; W195-M252 HydrophobicContact CH2-SD 3.66Å; W195-M252 HydrophobicContact CZ2-SD 4Å; W195-L266 HydrophobicContact CD2-CD1 3.85Å; W195-L266 HydrophobicContact CE3-CD1 3.44Å; W195-L266 VanDerWaalsContact CE3-CD1 3.44Å; W195-L266 HydrophobicContact CH2-CD1 3.94Å; W195-L266 HydrophobicContact CZ2-CD1 4.3Å; W195-L266 HydrophobicContact CZ3-CD1 3.5Å; W195-L266 VanDerWaalsContact CZ3-CD1 3.5Å; W195-F268 HydrophobicContact CZ2-CZ 4.18Å; W195-L281 HydrophobicContact CB-CD2 3.72Å; W195-L281 HydrophobicContact CG-CD2 3.92Å
196E94.9Very high95.5Very high131 Ų13135.7 Ų35.761%0.61221%0.213SC*.Hα-helixtrans-66.8-38.3-176.8-177.4171.9-157.100112.2L192 V193L192-E196 VanDerWaalsContact O-CB 3.29Å; L192-E196 WeakPolarHBondContact O-CB 3.37Å; L192-E196 PolarHBondContact O-N 2.69Å; V193-E196 PolarHBondContact O-N 3.36Å
197T93.4Very high95.5Very high56 Ų5639.3 Ų39.334%0.34423%0.23SC..THydrogen-bonded Turntrans-98.829.7-172.363.40000114V193 W195 P199 S200 V201V193-T197 HydrophobicContact CG1-CG2 4.22Å; V193-T197 WeakPolarHBondContact O-CB 3.33Å; V193-T197 PolarHBondContact O-N 2.89Å; V193-T197 PolarHBondContact O-OG1 2.77Å; W195-T197 PolarHBondContact O-N 3Å; T197-P199 CarbonylContact O-C 3.57Å; T197-S200 VanDerWaalsContact O-CA 3.28Å; T197-S200 WeakPolarHBondContact O-CA 3.11Å; T197-S200 PolarHBondContact O-N 3.33Å; T197-V201 PolarHBondContact OG1-N 3.42Å
198S88.9Confident95.6Very high36 Ų3640.8 Ų40.825%0.25224%0.235SC..SBendtrans-65.7130.2-174-174.50000114.5D238S198-D238 VanDerWaalsContact OG-CG 3.29Å; S198-D238 PolarHBondContact OG-OD1 2.73Å
199P90.6Very high95.7Very high112 Ų11240.7 Ų40.773%0.72724%0.235SC*.SBendcis-65.7127.1-5-19.131.9000112.4T197T197-P199 CarbonylContact O-C 3.57Å
200S94.8Very high95.9Very high14 Ų1439.3 Ų39.310%0.09822%0.224CC..PPolyproline II helixtrans-50.1141.8-167.1176.60000113.5A194 T197 Y202 S203 G204A194-S200 WeakPolarHBondContact CA-OG 3.43Å; T197-S200 VanDerWaalsContact O-CA 3.28Å; T197-S200 WeakPolarHBondContact O-CA 3.11Å; T197-S200 PolarHBondContact O-N 3.33Å; S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.22Å; S200-Y202 PolarHBondContact OG-N 3.35Å; S200-Y202 VanDerWaalsContact OG-N 3.11Å; S200-S203 WeakPolarHBondContact O-CA 3.11Å; S200-S203 VanDerWaalsContact O-CB 3.29Å; S200-S203 WeakPolarHBondContact O-CB 3.39Å; S200-S203 PolarHBondContact O-N 3.12Å; S200-G204 PolarHBondContact O-N 3.19Å
201V95.9Very high96Very high75 Ų7539.3 Ų39.346%0.45523%0.225SC..Hα-helixtrans-50.1-34.6168.6680000112.8V193 T197 S203 G204 I205V193-V201 HydrophobicContact CG1-CG1 3.82Å; T197-V201 PolarHBondContact OG1-N 3.42Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.17Å; V201-G204 PolarHBondContact O-N 3.07Å; V201-G204 VanDerWaalsContact O-N 3.17Å; V201-I205 WeakPolarHBondContact O-CG1 3.49Å; V201-I205 PolarHBondContact O-N 3.29Å; V201-I205 VanDerWaalsContact O-N 3.1Å
202Y96.8Very high96Very high19 Ų1940.8 Ų40.88%0.07523%0.23CC..Hα-helixtrans-66.5-34.2178-53.4-54.4000112.3F156 D188 A189 S190 V193 A194 S200 G204 I205 R206F156-Y202 HydrophobicContact CE1-CD1 4.37Å; F156-Y202 HydrophobicContact CE2-CD1 4.23Å; F156-Y202 AromaticContact CE2-CE1 3.93Å; F156-Y202 HydrophobicContact CE2-CE1 3.93Å; F156-Y202 AromaticContact CZ-CD1 3.74Å; F156-Y202 HydrophobicContact CZ-CD1 3.74Å; F156-Y202 AromaticContact CZ-CE1 3.55Å; F156-Y202 HydrophobicContact CZ-CE1 3.55Å; D188-Y202 HydrophobicContact CB-CD2 3.55Å; D188-Y202 HydrophobicContact CB-CE2 3.98Å; D188-Y202 HydrophobicContact CB-CG 4.14Å; D188-Y202 VanDerWaalsContact CG-CD2 3.42Å; D188-Y202 VanDerWaalsContact OD1-CB 3.25Å; D188-Y202 WeakPolarHBondContact OD1-CB 3.45Å; A189-Y202 HydrophobicContact CB-CE1 4.1Å; S190-Y202 PolarHBondContact N-OH 3.24Å; S190-Y202 WeakPolarHBondContact O-CE2 3.33Å; V193-Y202 HydrophobicContact CB-CE2 4.02Å; V193-Y202 HydrophobicContact CG1-CE2 3.99Å; A194-Y202 HydrophobicContact CB-CD2 4.21Å; A194-Y202 HydrophobicContact CB-CE2 4.36Å; S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.22Å; S200-Y202 PolarHBondContact OG-N 3.35Å; S200-Y202 VanDerWaalsContact OG-N 3.11Å; Y202-G204 VanDerWaalsContact C-N 3.34Å; Y202-I205 HydrophobicContact CD1-CD1 4.4Å; Y202-I205 WeakPolarHBondContact O-CB 3.5Å; Y202-I205 PolarHBondContact O-N 3.18Å; Y202-R206 PolarHBondContact O-N 3Å
203S96.6Very high96.1Very high23 Ų2340.1 Ų40.116%0.16123%0.227CC..Hα-helixtrans-64.8-40.1172.7-178.50000111.3S200 V201 I205 R206 H207 E308S200-S203 WeakPolarHBondContact O-CA 3.11Å; S200-S203 VanDerWaalsContact O-CB 3.29Å; S200-S203 WeakPolarHBondContact O-CB 3.39Å; S200-S203 PolarHBondContact O-N 3.12Å; V201-S203 VanDerWaalsContact C-N 3.32Å; V201-S203 PolarHBondContact O-N 3.17Å; S203-I205 VanDerWaalsContact C-N 3.31Å; S203-I205 PolarHBondContact O-N 3.29Å; S203-R206 PolarHBondContact O-N 2.63Å; S203-H207 WeakPolarHBondContact O-CB 3.16Å; S203-H207 PolarHBondContact O-N 2.76Å; S203-E308 WeakPolarHBondContact CA-OE2 3.34Å; S203-E308 WeakPolarHBondContact CB-OE2 3.48Å; S203-E308 WeakPolarHBondContact OG-CG 3.43Å; S203-E308 PolarHBondContact OG-OE2 3.13Å
204G96.4Very high96.2Very high44 Ų4437.9 Ų37.945%0.45421%0.214SC..Hα-helixtrans-59.1-39.7172.600000113.2S200 V201 Y202 H207 K208S200-G204 PolarHBondContact O-N 3.19Å; V201-G204 PolarHBondContact O-N 3.07Å; V201-G204 VanDerWaalsContact O-N 3.17Å; Y202-G204 VanDerWaalsContact C-N 3.34Å; G204-H207 PolarHBondContact O-N 2.74Å; G204-K208 PolarHBondContact O-N 3.35Å
205I96.9Very high96.2Very high18 Ų1841.9 Ų41.99%0.09224%0.235CC..Hα-helixtrans-64.6-46.4175-64.5171.1000110.8Y155 F156 F186 V201 Y202 S203 K208 A209Y155-I205 WeakPolarHBondContact O-CG1 3.18Å; Y155-I205 WeakPolarHBondContact O-CG2 3.44Å; F156-I205 HydrophobicContact CB-CD1 4.32Å; F156-I205 HydrophobicContact CB-CG2 4.24Å; F156-I205 HydrophobicContact CD1-CD1 4.5Å; F156-I205 HydrophobicContact CD2-CD1 3.74Å; F156-I205 HydrophobicContact CE2-CD1 4.12Å; F156-I205 HydrophobicContact CG-CD1 3.96Å; F186-I205 HydrophobicContact CB-CG2 3.98Å; F186-I205 HydrophobicContact CD2-CG2 3.48Å; F186-I205 VanDerWaalsContact CD2-CG2 3.48Å; F186-I205 HydrophobicContact CE2-CG2 4.08Å; F186-I205 HydrophobicContact CG-CG2 3.84Å; V201-I205 WeakPolarHBondContact O-CG1 3.49Å; V201-I205 PolarHBondContact O-N 3.29Å; V201-I205 VanDerWaalsContact O-N 3.1Å; Y202-I205 HydrophobicContact CD1-CD1 4.4Å; Y202-I205 WeakPolarHBondContact O-CB 3.5Å; Y202-I205 PolarHBondContact O-N 3.18Å; S203-I205 VanDerWaalsContact C-N 3.31Å; S203-I205 PolarHBondContact O-N 3.29Å; I205-K208 PolarHBondContact O-N 2.77Å; I205-A209 WeakPolarHBondContact O-CB 3.26Å; I205-A209 PolarHBondContact O-N 3.14Å
206R97.8Very high96.2Very high1 Ų142.8 Ų42.80%0.00424%0.238CC..Hα-helixtrans-62.7-41176.7-74-169.6-74.6-84.35.1112.5L185 F186 D188 Y202 S203 A209 L210 F233 N234 F235 E308L185-R206 HydrophobicContact CB-CG 4.11Å; L185-R206 HydrophobicContact CD1-CB 4.23Å; L185-R206 HydrophobicContact CD1-CG 4.43Å; F186-R206 WeakPolarHBondContact O-CD 3.3Å; F186-R206 WeakPolarHBondContact O-CG 3.37Å; F186-R206 PolarHBondContact O-NH1 2.9Å; D188-R206 IonicContact OD1-CZ 3.51Å; D188-R206 IonicContact OD1-NH1 2.81Å; D188-R206 PolarHBondContact OD1-NH1 2.87Å; D188-R206 IonicContact OD1-NH2 2.76Å; D188-R206 PolarHBondContact OD1-NH2 3.27Å; Y202-R206 PolarHBondContact O-N 3Å; S203-R206 PolarHBondContact O-N 2.63Å; R206-A209 PolarHBondContact O-N 2.93Å; R206-L210 WeakPolarHBondContact O-CB 3.28Å; R206-L210 PolarHBondContact O-N 2.88Å; R206-F233 WeakPolarHBondContact CD-O 3.49Å; R206-N234 PolarHBondContact NE-O 2.97Å; R206-N234 PolarHBondContact NH1-O 3.22Å; R206-F235 HydrophobicContact CB-CE1 4.46Å; R206-E308 IonicContact CZ-OE1 3.08Å; R206-E308 VanDerWaalsContact CZ-OE1 3.3Å; R206-E308 IonicContact CZ-OE2 2.68Å; R206-E308 IonicContact NE-OE1 3.8Å; R206-E308 PolarHBondContact NE-OE1 3.16Å; R206-E308 VanDerWaalsContact NE-OE1 3.16Å; R206-E308 IonicContact NE-OE2 2.85Å; R206-E308 PolarHBondContact NE-OE2 2.95Å; R206-E308 IonicContact NH2-OE1 3.87Å; R206-E308 PolarHBondContact NH2-OE1 2.89Å; R206-E308 IonicContact NH2-OE2 3.76Å; R206-E308 PolarHBondContact NH2-OE2 2.99Å
207H97.4Very high96.3Very high80 Ų8036.9 Ų36.937%0.3721%0.211SC..Hα-helixtrans-56.6-52.9173.1177.2176.3000110.2S203 G204 A209 L210 G211 V311 F312S203-H207 WeakPolarHBondContact O-CB 3.16Å; S203-H207 PolarHBondContact O-N 2.76Å; G204-H207 PolarHBondContact O-N 2.74Å; H207-A209 VanDerWaalsContact C-N 3.3Å; H207-A209 PolarHBondContact O-N 3.04Å; H207-L210 PolarHBondContact O-N 2.91Å; H207-G211 PolarHBondContact O-N 3.14Å; H207-V311 WeakPolarHBondContact CE1-CG1 3.36Å; H207-F312 HydrophobicContact CB-CE2 4.48Å; H207-F312 HydrophobicContact CB-CZ 4.45Å; H207-F312 AromaticContact CD2-CE2 3.94Å; H207-F312 AromaticContact CD2-CZ 3.33Å; H207-F312 WeakPolarHBondContact CD2-CZ 3.06Å
208K97.3Very high96.3Very high97 Ų9737.3 Ų37.342%0.42221%0.21SC..Hα-helixtrans-55.8-45178.1-167.2-171.5-178.1-167.20111.9D154 Y155 G204 I205 Y212D154-K208 IonicContact OD2-NZ 2.83Å; Y155-K208 HydrophobicContact CD1-CD 4.05Å; Y155-K208 VanDerWaalsContact CD1-NZ 3.25Å; Y155-K208 HydrophobicContact CD2-CB 4.39Å; Y155-K208 HydrophobicContact CD2-CD 3.83Å; Y155-K208 HydrophobicContact CD2-CG 4.02Å; Y155-K208 HydrophobicContact CE1-CD 3.99Å; Y155-K208 HydrophobicContact CE2-CB 4.33Å; Y155-K208 HydrophobicContact CE2-CD 3.76Å; Y155-K208 HydrophobicContact CE2-CG 3.63Å; Y155-K208 HydrophobicContact CG-CD 3.97Å; Y155-K208 VanDerWaalsContact CZ-CE 3.43Å; G204-K208 PolarHBondContact O-N 3.35Å; I205-K208 PolarHBondContact O-N 2.77Å; K208-Y212 WeakPolarHBondContact O-CB 3.33Å; K208-Y212 PolarHBondContact O-N 3.18Å
209A98Very high96.5Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-67.1-42.6179.300000113.2F151 Y155 L185 F186 I205 R206 H207 Y212 V213F151-A209 HydrophobicContact CD1-CB 4.18Å; F151-A209 HydrophobicContact CD2-CB 4.31Å; F151-A209 HydrophobicContact CE1-CB 4.06Å; F151-A209 HydrophobicContact CE2-CB 4.22Å; F151-A209 HydrophobicContact CG-CB 4.32Å; F151-A209 HydrophobicContact CZ-CB 4.1Å; Y155-A209 HydrophobicContact CD2-CB 4.32Å; L185-A209 HydrophobicContact CD2-CB 3.82Å; F186-A209 HydrophobicContact CD2-CB 4.12Å; F186-A209 HydrophobicContact CE2-CB 4.03Å; I205-A209 WeakPolarHBondContact O-CB 3.26Å; I205-A209 PolarHBondContact O-N 3.14Å; R206-A209 PolarHBondContact O-N 2.93Å; H207-A209 VanDerWaalsContact C-N 3.3Å; H207-A209 PolarHBondContact O-N 3.04Å; A209-Y212 WeakPolarHBondContact O-CB 3.44Å; A209-Y212 PolarHBondContact O-N 3.24Å; A209-V213 WeakPolarHBondContact O-CG2 3.24Å; A209-V213 PolarHBondContact O-N 2.75Å; A209-V213 VanDerWaalsContact O-N 3.15Å
210L98.6Very high96.6Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-67.2-42176.9-178.954.6000111.3I183 L185 R206 H207 Y212 V213 L214 F233 F235 F312 L316I183-L210 HydrophobicContact CD1-CD1 3.91Å; L185-L210 HydrophobicContact CD1-CB 4.21Å; R206-L210 WeakPolarHBondContact O-CB 3.28Å; R206-L210 PolarHBondContact O-N 2.88Å; H207-L210 PolarHBondContact O-N 2.91Å; L210-Y212 VanDerWaalsContact C-N 3.29Å; L210-Y212 PolarHBondContact O-N 2.82Å; L210-V213 PolarHBondContact O-N 2.81Å; L210-V213 VanDerWaalsContact O-N 3.13Å; L210-L214 HydrophobicContact CD1-CG 4.23Å; L210-L214 HydrophobicContact CG-CD1 4.31Å; L210-L214 HydrophobicContact CG-CG 4.42Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.48Å; L210-F233 HydrophobicContact CD1-CE1 3.9Å; L210-F233 HydrophobicContact CD2-CD1 4.25Å; L210-F233 HydrophobicContact CD2-CE1 3.99Å; L210-F235 HydrophobicContact CD2-CZ 3.81Å; L210-F312 HydrophobicContact CB-CE1 4.45Å; L210-F312 HydrophobicContact CB-CE2 4.21Å; L210-F312 HydrophobicContact CB-CZ 3.83Å; L210-F312 HydrophobicContact CD2-CD2 3.82Å; L210-F312 HydrophobicContact CD2-CE1 4.47Å; L210-F312 HydrophobicContact CD2-CE2 3.65Å; L210-F312 HydrophobicContact CD2-CG 4.3Å; L210-F312 HydrophobicContact CD2-CZ 3.97Å; L210-F312 HydrophobicContact CG-CE1 4.19Å; L210-F312 HydrophobicContact CG-CE2 4.11Å; L210-F312 HydrophobicContact CG-CZ 3.89Å; L210-L316 HydrophobicContact CD1-CD1 4.35Å; L210-L316 HydrophobicContact CD2-CD1 3.96Å; L210-L316 HydrophobicContact CG-CD1 4.38Å
211G98.3Very high96.6Very high11 Ų1147.2 Ų47.211%0.11324%0.236CC..Hα-helixtrans-55.3-45.4172.500000112H207 V213 L214 D215H207-G211 PolarHBondContact O-N 3.14Å; G211-V213 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.3Å; G211-L214 PolarHBondContact O-N 3.23Å; G211-D215 PolarHBondContact O-N 3.17Å
212Y97.9Very high96.5Very high37 Ų3744.5 Ų44.515%0.14522%0.219CC..Hα-helixtrans-56.2-42.7175.2176.9-84.4000113.1E149 F151 P152 Y155 F166 K208 A209 L210 R216E149-Y212 WeakPolarHBondContact OE2-CE1 3.24Å; E149-Y212 VanDerWaalsContact OE2-CZ 3.3Å; E149-Y212 PolarHBondContact OE2-OH 2.87Å; F151-Y212 AromaticContact CD1-CD1 3.98Å; F151-Y212 HydrophobicContact CD1-CD1 3.98Å; F151-Y212 HydrophobicContact CD1-CE1 4.23Å; F151-Y212 AromaticContact CE1-CD1 3.95Å; F151-Y212 HydrophobicContact CE1-CD1 3.95Å; F151-Y212 HydrophobicContact CE1-CE1 4.46Å; P152-Y212 HydrophobicContact CG-CE2 4.24Å; Y155-Y212 HydrophobicContact CE2-CD2 4.35Å; Y155-Y212 HydrophobicContact CE2-CG 4.5Å; Y155-Y212 VanDerWaalsContact OH-CD2 3.3Å; Y155-Y212 WeakPolarHBondContact OH-CD2 3.31Å; F166-Y212 HydrophobicContact CE1-CE1 4.22Å; K208-Y212 WeakPolarHBondContact O-CB 3.33Å; K208-Y212 PolarHBondContact O-N 3.18Å; A209-Y212 WeakPolarHBondContact O-CB 3.44Å; A209-Y212 PolarHBondContact O-N 3.24Å; L210-Y212 VanDerWaalsContact C-N 3.29Å; L210-Y212 PolarHBondContact O-N 2.82Å; Y212-R216 WeakPolarHBondContact O-CD 3.41Å; Y212-R216 PolarHBondContact O-N 2.86Å; Y212-R216 PolarHBondContact O-NH1 3.22Å; Y212-R216 VanDerWaalsContact OH-CZ 3.29Å; Y212-R216 PolarHBondContact OH-NE 3.48Å; Y212-R216 PolarHBondContact OH-NH2 2.82Å
213V98.4Very high96.4Very high0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-66.4-48175.5178.40000111F151 F166 V181 I183 A209 L210 G211 D215 R216 I217F151-V213 HydrophobicContact CE1-CG2 3.56Å; F151-V213 HydrophobicContact CZ-CG2 3.65Å; F166-V213 HydrophobicContact CB-CG1 4.47Å; F166-V213 HydrophobicContact CB-CG2 4.17Å; F166-V213 HydrophobicContact CD1-CB 4.47Å; F166-V213 HydrophobicContact CD1-CG1 4.39Å; F166-V213 HydrophobicContact CD1-CG2 3.56Å; F166-V213 HydrophobicContact CD2-CG1 4.25Å; F166-V213 HydrophobicContact CE1-CG2 4.18Å; F166-V213 HydrophobicContact CG-CG1 4.1Å; F166-V213 HydrophobicContact CG-CG2 3.92Å; V181-V213 HydrophobicContact CG1-CG1 3.85Å; I183-V213 HydrophobicContact CD1-CB 4.23Å; I183-V213 HydrophobicContact CD1-CG1 4.34Å; I183-V213 HydrophobicContact CD1-CG2 3.71Å; I183-V213 HydrophobicContact CG1-CG2 4.43Å; A209-V213 WeakPolarHBondContact O-CG2 3.24Å; A209-V213 PolarHBondContact O-N 2.75Å; A209-V213 VanDerWaalsContact O-N 3.15Å; L210-V213 PolarHBondContact O-N 2.81Å; L210-V213 VanDerWaalsContact O-N 3.13Å; G211-V213 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.3Å; V213-D215 PolarHBondContact O-N 3.3Å; V213-R216 WeakPolarHBondContact O-CB 3.43Å; V213-R216 PolarHBondContact O-N 2.83Å; V213-I217 HydrophobicContact CG1-CD1 4.13Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.28Å; V213-I217 PolarHBondContact O-N 3.23Å; V213-I217 VanDerWaalsContact O-N 3.08Å
214L98.2Very high96.2Very high0 Ų056.6 Ų56.60%027%0.271CS..Hα-helixtrans-62.4-32.1-177-64.3176.8000112.3L210 G211 R216 I217 I218 Y227 V229 F312 R315 L316L210-L214 HydrophobicContact CD1-CG 4.23Å; L210-L214 HydrophobicContact CG-CD1 4.31Å; L210-L214 HydrophobicContact CG-CG 4.42Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.48Å; G211-L214 PolarHBondContact O-N 3.23Å; L214-R216 VanDerWaalsContact C-N 3.35Å; L214-I217 HydrophobicContact CD2-CD1 4.16Å; L214-I217 PolarHBondContact O-N 2.95Å; L214-I218 WeakPolarHBondContact O-CG1 3.13Å; L214-I218 PolarHBondContact O-N 2.91Å; L214-Y227 HydrophobicContact CD2-CE2 4.01Å; L214-V229 HydrophobicContact CD2-CG2 4.34Å; L214-F312 HydrophobicContact CD1-CD1 3.5Å; L214-F312 VanDerWaalsContact CD1-CD1 3.5Å; L214-F312 HydrophobicContact CD1-CE1 3.83Å; L214-F312 HydrophobicContact CD1-CG 4.37Å; L214-R315 HydrophobicContact CD1-CB 4.26Å; L214-R315 PolarHBondContact O-NH2 3.49Å; L214-R315 VanDerWaalsContact O-NH2 3.16Å; L214-L316 HydrophobicContact CD1-CD1 3.88Å; L214-L316 HydrophobicContact CD1-CG 4.17Å; L214-L316 HydrophobicContact CD2-CD1 4.04Å; L214-L316 HydrophobicContact CD2-CD2 3.92Å; L214-L316 HydrophobicContact CD2-CG 4.06Å; L214-L316 HydrophobicContact CG-CD1 4.46Å
215D96.9Very high96.2Very high84 Ų8455.4 Ų55.445%0.44926%0.255SS..Hα-helixtrans-68.6-33.6176.5-66.8-9.9000112.1G211 V213 I218 D219 R315G211-D215 PolarHBondContact O-N 3.17Å; V213-D215 PolarHBondContact O-N 3.3Å; D215-I218 WeakPolarHBondContact O-CG1 3.31Å; D215-I218 PolarHBondContact O-N 3.29Å; D215-D219 PolarHBondContact O-N 3.33Å; D215-R315 IonicContact OD1-CZ 3.9Å; D215-R315 IonicContact OD1-NH1 3.27Å; D215-R315 PolarHBondContact OD1-NH1 3.24Å; D215-R315 IonicContact OD1-NH2 3.68Å; D215-R315 PolarHBondContact OD1-NH2 3.31Å
216R96.4Very high96.2Very high61 Ų6155.3 Ų55.323%0.2326%0.256CS..Hα-helixtrans-72-35.1174.2-75.3151.5175.764.716.8112.9E149 F166 R168 Y212 V213 L214 I218 D219E149-R216 VanDerWaalsContact CD-NE 3.28Å; E149-R216 WeakPolarHBondContact OE1-CD 3.21Å; E149-R216 IonicContact OE1-NE 3.72Å; E149-R216 PolarHBondContact OE1-NE 3.41Å; E149-R216 VanDerWaalsContact OE1-NE 3.11Å; E149-R216 IonicContact OE2-CZ 2.73Å; E149-R216 IonicContact OE2-NE 3.48Å; E149-R216 PolarHBondContact OE2-NE 2.77Å; E149-R216 IonicContact OE2-NH2 3.81Å; F166-R216 HydrophobicContact CZ-CB 4.33Å; R168-R216 PolarHBondContact NH1-O 2.81Å; Y212-R216 WeakPolarHBondContact O-CD 3.41Å; Y212-R216 PolarHBondContact O-N 2.86Å; Y212-R216 PolarHBondContact O-NH1 3.22Å; Y212-R216 VanDerWaalsContact OH-CZ 3.29Å; Y212-R216 PolarHBondContact OH-NE 3.48Å; Y212-R216 PolarHBondContact OH-NH2 2.82Å; V213-R216 WeakPolarHBondContact O-CB 3.43Å; V213-R216 PolarHBondContact O-N 2.83Å; L214-R216 VanDerWaalsContact C-N 3.35Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 3.22Å; R216-D219 VanDerWaalsContact O-CB 3.27Å; R216-D219 WeakPolarHBondContact O-CB 3.03Å; R216-D219 PolarHBondContact O-N 3.21Å
217I96.3Very high96.2Very high6 Ų656.2 Ų56.23%0.03126%0.259CS..Hα-helixtrans-61-41.2175.4-64.4171.6000110.4R168 V181 V213 L214 D219 Y227 V229R168-I217 PolarHBondContact NH2-O 3.02Å; V181-I217 HydrophobicContact CG2-CD1 3.76Å; V181-I217 HydrophobicContact CG2-CG1 4.07Å; V213-I217 HydrophobicContact CG1-CD1 4.13Å; V213-I217 HydrophobicContact CG1-CG1 4.45Å; V213-I217 WeakPolarHBondContact O-CG1 3.28Å; V213-I217 PolarHBondContact O-N 3.23Å; V213-I217 VanDerWaalsContact O-N 3.08Å; L214-I217 HydrophobicContact CD2-CD1 4.16Å; L214-I217 PolarHBondContact O-N 2.95Å; I217-D219 VanDerWaalsContact C-N 3.31Å; I217-D219 PolarHBondContact O-N 3.24Å; I217-Y227 HydrophobicContact CD1-CD2 4.08Å; I217-Y227 HydrophobicContact CD1-CE2 4.4Å; I217-Y227 HydrophobicContact CD1-CG 4.46Å; I217-Y227 HydrophobicContact CG2-CD1 3.54Å; I217-Y227 HydrophobicContact CG2-CD2 4.24Å; I217-Y227 HydrophobicContact CG2-CE1 4.01Å; I217-Y227 HydrophobicContact CG2-CG 3.67Å; I217-V229 HydrophobicContact CD1-CG2 3.71Å
218I93.3Very high96.3Very high65 Ų6552.4 Ų52.433%0.33324%0.241SC..THydrogen-bonded Turntrans-91.914.6-177.367.8175.1000114.2L214 D215 R216 Q220L214-I218 WeakPolarHBondContact O-CG1 3.13Å; L214-I218 PolarHBondContact O-N 2.91Å; D215-I218 WeakPolarHBondContact O-CG1 3.31Å; D215-I218 PolarHBondContact O-N 3.29Å; R216-I218 VanDerWaalsContact C-N 3.27Å; R216-I218 PolarHBondContact O-N 3.22Å; I218-Q220 PolarHBondContact O-N 3.3Å
219D93.3Very high96.3Very high39 Ų3947.8 Ų47.821%0.20922%0.221CC..  trans-51.7126.9178.6-172.3-43.9000111.3D215 R216 I217 R221 F222D215-D219 PolarHBondContact O-N 3.33Å; R216-D219 VanDerWaalsContact O-CB 3.27Å; R216-D219 WeakPolarHBondContact O-CB 3.03Å; R216-D219 PolarHBondContact O-N 3.21Å; I217-D219 VanDerWaalsContact C-N 3.31Å; I217-D219 PolarHBondContact O-N 3.24Å; D219-R221 VanDerWaalsContact CG-NE 3.28Å; D219-R221 PolarHBondContact O-N 2.98Å; D219-R221 VanDerWaalsContact O-N 3.11Å; D219-R221 WeakPolarHBondContact OD1-CB 3.21Å; D219-R221 WeakPolarHBondContact OD1-CG 3.28Å; D219-R221 PolarHBondContact OD1-N 3.39Å; D219-R221 IonicContact OD1-NE 3.52Å; D219-R221 PolarHBondContact OD1-NE 3.07Å; D219-R221 VanDerWaalsContact OD1-NE 3.08Å; D219-R221 IonicContact OD2-CZ 3.81Å; D219-R221 IonicContact OD2-NE 3.55Å; D219-R221 PolarHBondContact OD2-NE 2.94Å; D219-R221 IonicContact OD2-NH2 3.4Å; D219-R221 PolarHBondContact OD2-NH2 2.52Å; D219-F222 HydrophobicContact CB-CD2 4.34Å; D219-F222 PolarHBondContact O-N 2.88Å
220Q93.6Very high96.4Very high190 Ų19047.8 Ų47.889%0.88822%0.221SC*.THydrogen-bonded Turntrans-66.1-13.5-174.8-61.2-177-2.600113.6I218 F222I218-Q220 PolarHBondContact O-N 3.3Å; Q220-F222 PolarHBondContact O-N 2.76Å
221R94.8Very high96.4Very high141 Ų14147.8 Ų47.853%0.53222%0.221SC..THydrogen-bonded Turntrans-65.1-18.5174.5-66.8177.8-64.1152.56.8112.7K125 E147 D219K125-R221 PolarHBondContact NZ-O 3.4Å; E147-R221 IonicContact OE1-NH2 2.76Å; D219-R221 VanDerWaalsContact CG-NE 3.28Å; D219-R221 PolarHBondContact O-N 2.98Å; D219-R221 VanDerWaalsContact O-N 3.11Å; D219-R221 WeakPolarHBondContact OD1-CB 3.21Å; D219-R221 WeakPolarHBondContact OD1-CG 3.28Å; D219-R221 PolarHBondContact OD1-N 3.39Å; D219-R221 IonicContact OD1-NE 3.52Å; D219-R221 PolarHBondContact OD1-NE 3.07Å; D219-R221 VanDerWaalsContact OD1-NE 3.08Å; D219-R221 IonicContact OD2-CZ 3.81Å; D219-R221 IonicContact OD2-NE 3.55Å; D219-R221 PolarHBondContact OD2-NE 2.94Å; D219-R221 IonicContact OD2-NH2 3.4Å; D219-R221 PolarHBondContact OD2-NH2 2.52Å
222F94.5Very high96.4Very high19 Ų1947.3 Ų47.38%0.08322%0.216CC..SBendtrans-125.5153.6-176.1-51.4-64.5000111.9F120 F122 K125 E147 D219 Q220F120-F222 AromaticContact CE1-CD1 3.86Å; F120-F222 HydrophobicContact CE1-CD1 3.86Å; F120-F222 HydrophobicContact CE1-CE1 4.21Å; F120-F222 HydrophobicContact CZ-CD1 4.31Å; F122-F222 HydrophobicContact CB-CE1 4.36Å; F122-F222 HydrophobicContact CB-CZ 4.29Å; F122-F222 HydrophobicContact CD1-CD1 4.34Å; F122-F222 HydrophobicContact CD1-CD2 4.37Å; F122-F222 AromaticContact CD1-CE1 3.91Å; F122-F222 HydrophobicContact CD1-CE1 3.91Å; F122-F222 AromaticContact CD1-CE2 3.93Å; F122-F222 HydrophobicContact CD1-CE2 3.93Å; F122-F222 AromaticContact CD1-CZ 3.7Å; F122-F222 HydrophobicContact CD1-CZ 3.7Å; F122-F222 HydrophobicContact CE1-CE2 4.47Å; F122-F222 HydrophobicContact CG-CZ 4.5Å; F122-F222 WeakPolarHBondContact O-CE1 3.35Å; K125-F222 HydrophobicContact CG-CE1 4.31Å; E147-F222 WeakPolarHBondContact OE1-CE2 3.47Å; D219-F222 HydrophobicContact CB-CD2 4.34Å; D219-F222 PolarHBondContact O-N 2.88Å; Q220-F222 PolarHBondContact O-N 2.76Å
223E93.1Very high96.5Very high139 Ų13945.5 Ų45.565%0.6521%0.209SC*.  trans-60.2138.7170.2-175.3-177.7-179.200110.1R170R170-E223 VanDerWaalsContact CZ-O 3.31Å; R170-E223 PolarHBondContact NH1-O 3.25Å; R170-E223 PolarHBondContact NH2-O 3.29Å
224K93.8Very high96.5Very high156 Ų15645.8 Ų45.868%0.67821%0.211SC*.  trans-74.6127.8173.7-66.5-176.1-179.5-178.60109.5
225V95.6Very high96.5Very high20 Ų2045.9 Ų45.912%0.12121%0.211CC..  trans-129.2166.5176.9-57.60000109.2R170 A177 D179R170-V225 VanDerWaalsContact NH2-CG2 3.34Å; A177-V225 HydrophobicContact CB-CB 4.29Å; A177-V225 HydrophobicContact CB-CG1 3.78Å; D179-V225 HydrophobicContact CB-CG2 4.43Å; D179-V225 WeakPolarHBondContact OD2-CG2 3.34Å
226S96.3Very high96.5Very high16 Ų1642.6 Ų42.611%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-59.7148.9169.9-67.70000110.8F178 D179 S356 A357F178-S226 CarbonylContact C-O 3.52Å; F178-S226 WeakPolarHBondContact CA-O 3.43Å; F178-S226 WeakPolarHBondContact CB-O 3.42Å; D179-S226 PolarHBondContact N-O 3.24Å; S226-S356 WeakPolarHBondContact CA-OG 3.13Å; S226-S356 WeakPolarHBondContact CB-OG 3.37Å; S226-S356 VanDerWaalsContact OG-C 3.27Å; S226-S356 VanDerWaalsContact OG-CB 3.3Å; S226-S356 WeakPolarHBondContact OG-CB 3.47Å; S226-S356 PolarHBondContact OG-O 3.22Å; S226-S356 PolarHBondContact OG-OG 2.85Å; S226-A357 PolarHBondContact OG-N 3.38Å
227Y98.4Very high96.6Very high19 Ų1940 Ų408%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-141.5146.9-178.658.8-97.4000112.5D179 L214 I217 V229 R315 L316 M353 S354 A357D179-Y227 WeakPolarHBondContact O-CA 3.42Å; L214-Y227 HydrophobicContact CD2-CE2 4.01Å; I217-Y227 HydrophobicContact CD1-CD2 4.08Å; I217-Y227 HydrophobicContact CD1-CE2 4.4Å; I217-Y227 HydrophobicContact CD1-CG 4.46Å; I217-Y227 HydrophobicContact CG2-CD1 3.54Å; I217-Y227 HydrophobicContact CG2-CD2 4.24Å; I217-Y227 HydrophobicContact CG2-CE1 4.01Å; I217-Y227 HydrophobicContact CG2-CG 3.67Å; Y227-V229 HydrophobicContact CD2-CG2 3.96Å; Y227-V229 HydrophobicContact CE2-CG2 4.37Å; Y227-R315 PolarHBondContact OH-O 2.82Å; Y227-L316 HydrophobicContact CE2-CD2 3.79Å; Y227-M353 WeakPolarHBondContact O-CA 3.36Å; Y227-S354 VanDerWaalsContact CZ-CB 3.43Å; Y227-S354 PolarHBondContact N-OG 3.09Å; Y227-S354 PolarHBondContact O-N 2.9Å; Y227-A357 WeakPolarHBondContact O-CB 3.29Å
228F98.9Very high96.6Very high0 Ų040.8 Ų40.80%019%0.188CC..EExtended strand (participates in β ladder)trans-117.6128.5170.9-59-95.1000108.2L14 F178 D179 L180 V181 F230 L352 M353 A357 V361 L390 F392L14-F228 HydrophobicContact CD1-CB 3.95Å; L14-F228 HydrophobicContact CD1-CD1 3.56Å; L14-F228 HydrophobicContact CD1-CD2 4.28Å; L14-F228 HydrophobicContact CD1-CE1 4.09Å; L14-F228 HydrophobicContact CD1-CG 3.67Å; F178-F228 HydrophobicContact CB-CE2 4.46Å; F178-F228 HydrophobicContact CD2-CD2 4.27Å; F178-F228 HydrophobicContact CD2-CE2 4.34Å; F178-F228 HydrophobicContact CG-CE2 4.42Å; D179-F228 PolarHBondContact O-N 3.02Å; L180-F228 HydrophobicContact CD2-CB 3.99Å; L180-F228 HydrophobicContact CD2-CD2 3.92Å; L180-F228 HydrophobicContact CD2-CG 4.28Å; V181-F228 PolarHBondContact N-O 2.92Å; F228-F230 HydrophobicContact CB-CD1 4.12Å; F228-F230 HydrophobicContact CB-CE1 4.23Å; F228-L352 CarbonylContact C-O 3.54Å; F228-L352 WeakPolarHBondContact CA-O 3.43Å; F228-M353 HydrophobicContact CD1-CB 3.65Å; F228-M353 HydrophobicContact CE1-CB 3.91Å; F228-M353 HydrophobicContact CE1-SD 4.25Å; F228-M353 HydrophobicContact CG-CB 4.47Å; F228-A357 HydrophobicContact CD1-CB 4.43Å; F228-A357 HydrophobicContact CD2-CB 4.41Å; F228-A357 HydrophobicContact CE1-CB 3.99Å; F228-A357 HydrophobicContact CE2-CB 3.97Å; F228-A357 HydrophobicContact CZ-CB 3.75Å; F228-V361 HydrophobicContact CE1-CG2 3.86Å; F228-V361 HydrophobicContact CZ-CG2 4.08Å; F228-L390 HydrophobicContact CE1-CD2 4.47Å; F228-F392 HydrophobicContact CE1-CE1 4.35Å; F228-F392 HydrophobicContact CE1-CZ 4.08Å; F228-F392 HydrophobicContact CE2-CZ 4.28Å; F228-F392 HydrophobicContact CZ-CE1 4.34Å; F228-F392 HydrophobicContact CZ-CE2 4.2Å; F228-F392 AromaticContact CZ-CZ 3.63Å; F228-F392 HydrophobicContact CZ-CZ 3.63Å
229V98.9Very high96.7Very high0 Ų038.5 Ų38.50%018%0.177CC..EExtended strand (participates in β ladder)trans-115.1114.9174.8-170.50000107V181 I183 L214 I217 Y227 F233 L316 L352V181-V229 HydrophobicContact CB-CB 4.39Å; V181-V229 HydrophobicContact CB-CG1 4.16Å; V181-V229 HydrophobicContact CB-CG2 4.19Å; V181-V229 HydrophobicContact CG1-CG1 4.19Å; V181-V229 HydrophobicContact CG2-CG2 4.43Å; I183-V229 HydrophobicContact CB-CG1 4.19Å; I183-V229 HydrophobicContact CD1-CG1 4.23Å; I183-V229 HydrophobicContact CG2-CG1 3.85Å; L214-V229 HydrophobicContact CD2-CG2 4.34Å; I217-V229 HydrophobicContact CD1-CG2 3.71Å; Y227-V229 HydrophobicContact CD2-CG2 3.96Å; Y227-V229 HydrophobicContact CE2-CG2 4.37Å; V229-F233 HydrophobicContact CB-CZ 4.26Å; V229-F233 HydrophobicContact CG1-CE1 4.33Å; V229-F233 HydrophobicContact CG1-CZ 3.78Å; V229-L316 HydrophobicContact CG2-CD2 4.39Å; V229-L352 PolarHBondContact N-O 3.3Å; V229-L352 PolarHBondContact O-N 3.24Å
230F98.9Very high96.8Very high0 Ų040.5 Ų40.50%018%0.184CC..EExtended strand (participates in β ladder)trans-142146.1-176.656.3-72.4000111.5L14 V15 A50 H52 L180 V181 N182 I183 F228 R350 I351L14-F230 HydrophobicContact CB-CE2 4.18Å; L14-F230 HydrophobicContact CB-CZ 4.17Å; L14-F230 HydrophobicContact CD1-CE1 4.39Å; L14-F230 HydrophobicContact CD2-CE1 4.45Å; L14-F230 HydrophobicContact CD2-CZ 4.16Å; V15-F230 WeakPolarHBondContact O-CE2 3.35Å; A50-F230 HydrophobicContact CB-CE2 4.48Å; A50-F230 HydrophobicContact CB-CZ 3.9Å; H52-F230 HydrophobicContact CB-CD2 3.83Å; H52-F230 HydrophobicContact CB-CE2 3.62Å; H52-F230 HydrophobicContact CB-CZ 4.43Å; H52-F230 AromaticContact CD2-CE2 3.78Å; H52-F230 AromaticContact CD2-CZ 3.78Å; H52-F230 AromaticContact CE1-CE1 3.38Å; H52-F230 WeakPolarHBondContact CE1-CE1 3.21Å; H52-F230 AromaticContact CE1-CE2 3.67Å; H52-F230 AromaticContact CE1-CZ 3.14Å; H52-F230 WeakPolarHBondContact CE1-CZ 3.38Å; H52-F230 AromaticContact CG-CD2 3.76Å; H52-F230 AromaticContact CG-CE2 3.21Å; H52-F230 AromaticContact CG-CZ 3.54Å; H52-F230 AromaticContact ND1-CD1 3.82Å; H52-F230 AromaticContact ND1-CD2 3.5Å; H52-F230 AromaticContact ND1-CE1 3.47Å; H52-F230 WeakPolarHBondContact ND1-CE1 3.24Å; H52-F230 AromaticContact ND1-CE2 3.15Å; H52-F230 WeakPolarHBondContact ND1-CE2 3.41Å; H52-F230 AromaticContact ND1-CG 3.82Å; H52-F230 AromaticContact ND1-CZ 3.13Å; H52-F230 WeakPolarHBondContact ND1-CZ 3.16Å; H52-F230 AromaticContact NE2-CZ 3.54Å; L180-F230 HydrophobicContact CB-CE1 4.1Å; L180-F230 HydrophobicContact CD2-CE1 3.92Å; L180-F230 HydrophobicContact CD2-CZ 4.45Å; V181-F230 PolarHBondContact O-N 2.82Å; N182-F230 WeakPolarHBondContact CA-O 3.4Å; I183-F230 PolarHBondContact N-O 3.19Å; I183-F230 VanDerWaalsContact N-O 3.14Å; F228-F230 HydrophobicContact CB-CD1 4.12Å; F228-F230 HydrophobicContact CB-CE1 4.23Å; F230-R350 WeakPolarHBondContact CA-O 3.43Å; F230-R350 VanDerWaalsContact CB-O 3.26Å; F230-R350 WeakPolarHBondContact CB-O 3.12Å; F230-I351 HydrophobicContact CB-CB 4.05Å; F230-I351 HydrophobicContact CB-CG1 3.68Å; F230-I351 HydrophobicContact CB-CG2 4.09Å; F230-I351 HydrophobicContact CG-CG1 4.37Å
231G98.9Very high97Very high0 Ų032.8 Ų32.80%015%0.151CC..EExtended strand (participates in β ladder)trans162.8-172.1-165.700000113.6T16 I183 F233 D349 R350T16-G231 VanDerWaalsContact OG1-C 3.28Å; T16-G231 WeakPolarHBondContact OG1-CA 3.44Å; T16-G231 PolarHBondContact OG1-N 2.74Å; I183-G231 WeakPolarHBondContact O-CA 3.31Å; G231-F233 WeakPolarHBondContact O-CD2 3.37Å; G231-F233 PolarHBondContact O-N 3.43Å; G231-D349 WeakPolarHBondContact O-CA 3.29Å; G231-R350 PolarHBondContact N-O 3.42Å; G231-R350 PolarHBondContact O-N 3.15Å; G231-R350 VanDerWaalsContact O-N 3.07Å
232D98.8Very high97.1Very high1 Ų126 Ų261%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-85.594.7165.8-179.70.4000108.4N18 Q54 I183 H184 L185 N234 H385N18-D232 PolarHBondContact ND2-OD2 3.08Å; N18-D232 VanDerWaalsContact ND2-OD2 3.11Å; Q54-D232 HydrophobicContact CB-CB 4.31Å; Q54-D232 HydrophobicContact CG-CB 3.94Å; I183-D232 PolarHBondContact O-N 3.17Å; I183-D232 VanDerWaalsContact O-N 3.14Å; H184-D232 WeakPolarHBondContact CA-O 3.38Å; H184-D232 IonicContact CD2-OD2 3.43Å; H184-D232 IonicContact NE2-OD2 3.16Å; H184-D232 PolarHBondContact NE2-OD2 3.2Å; L185-D232 PolarHBondContact N-O 3.22Å; D232-N234 PolarHBondContact O-N 3Å; D232-N234 WeakPolarHBondContact OD1-CA 3.47Å; D232-N234 PolarHBondContact OD1-N 2.83Å; D232-N234 PolarHBondContact OD1-ND2 3.2Å; D232-N234 PolarHBondContact OD2-ND2 3.06Å; D232-H385 IonicContact OD2-CE1 2.69Å
233F98.8Very high97.2Very high0 Ų025.2 Ų25.20%012%0.122CC..  trans-72.8-14.1175.2-76.4-100.4000112.1I183 L185 R206 L210 V229 G231 F235 C348 R350 L352I183-F233 HydrophobicContact CG2-CD2 4.18Å; I183-F233 HydrophobicContact CG2-CE1 4.12Å; I183-F233 HydrophobicContact CG2-CE2 3.77Å; I183-F233 HydrophobicContact CG2-CZ 3.73Å; L185-F233 VanDerWaalsContact CB-O 3.27Å; L185-F233 WeakPolarHBondContact CB-O 3.47Å; L185-F233 HydrophobicContact CD1-CB 4.21Å; L185-F233 HydrophobicContact CD1-CD1 3.72Å; L185-F233 HydrophobicContact CD1-CG 4.32Å; L185-F233 WeakPolarHBondContact CD1-O 3.39Å; R206-F233 WeakPolarHBondContact CD-O 3.49Å; L210-F233 HydrophobicContact CD1-CE1 3.9Å; L210-F233 HydrophobicContact CD2-CD1 4.25Å; L210-F233 HydrophobicContact CD2-CE1 3.99Å; V229-F233 HydrophobicContact CB-CZ 4.26Å; V229-F233 HydrophobicContact CG1-CE1 4.33Å; V229-F233 HydrophobicContact CG1-CZ 3.78Å; G231-F233 WeakPolarHBondContact O-CD2 3.37Å; G231-F233 PolarHBondContact O-N 3.43Å; F233-F235 HydrophobicContact CB-CB 4.43Å; F233-F235 HydrophobicContact CB-CD1 3.89Å; F233-F235 HydrophobicContact CB-CD2 4.06Å; F233-F235 HydrophobicContact CB-CE1 4.14Å; F233-F235 HydrophobicContact CB-CE2 4.31Å; F233-F235 HydrophobicContact CB-CG 3.84Å; F233-F235 HydrophobicContact CB-CZ 4.35Å; F233-F235 HydrophobicContact CD1-CE1 4.08Å; F233-F235 AromaticContact CD1-CE2 3.97Å; F233-F235 HydrophobicContact CD1-CE2 3.97Å; F233-F235 AromaticContact CD1-CZ 3.72Å; F233-F235 HydrophobicContact CD1-CZ 3.72Å; F233-F235 HydrophobicContact CG-CE2 4.36Å; F233-F235 HydrophobicContact CG-CZ 4.41Å; F233-F235 PolarHBondContact O-N 2.92Å; F233-C348 WeakPolarHBondContact CB-O 3.49Å; F233-C348 PolarHBondContact N-O 3.4Å; F233-R350 HydrophobicContact CB-CG 4.43Å; F233-R350 HydrophobicContact CD2-CB 3.62Å; F233-R350 HydrophobicContact CD2-CG 4.01Å; F233-R350 HydrophobicContact CE2-CB 3.86Å; F233-R350 HydrophobicContact CG-CB 4.41Å; F233-R350 HydrophobicContact CG-CG 4.42Å; F233-L352 HydrophobicContact CD1-CD1 4.09Å; F233-L352 HydrophobicContact CE1-CD1 3.37Å; F233-L352 HydrophobicContact CE1-CG 4.18Å; F233-L352 HydrophobicContact CE2-CD1 4.18Å; F233-L352 HydrophobicContact CE2-CG 4.12Å; F233-L352 HydrophobicContact CZ-CB 4.33Å; F233-L352 HydrophobicContact CZ-CD1 3.41Å; F233-L352 VanDerWaalsContact CZ-CD1 3.41Å; F233-L352 HydrophobicContact CZ-CG 3.69Å
234N98.5Very high97.3Very high6 Ų623.3 Ų23.33%0.03211%0.113CC..  trans50.222.4-171.9-95.9-79.8000113.2L185 F186 R206 D232 R236 C348L185-N234 PolarHBondContact O-ND2 3.05Å; F186-N234 VanDerWaalsContact O-CB 3.29Å; F186-N234 WeakPolarHBondContact O-CB 3.05Å; R206-N234 PolarHBondContact NE-O 2.97Å; R206-N234 PolarHBondContact NH1-O 3.22Å; D232-N234 PolarHBondContact O-N 3Å; D232-N234 WeakPolarHBondContact OD1-CA 3.47Å; D232-N234 PolarHBondContact OD1-N 2.83Å; D232-N234 PolarHBondContact OD1-ND2 3.2Å; D232-N234 PolarHBondContact OD2-ND2 3.06Å; N234-R236 WeakPolarHBondContact O-CD 3.24Å; N234-R236 WeakPolarHBondContact O-CG 3.22Å; N234-R236 PolarHBondContact O-N 2.81Å; N234-R236 PolarHBondContact O-NE 2.97Å; N234-R236 PolarHBondContact OD1-NH2 2.92Å; N234-C348 PolarHBondContact N-O 2.72Å
235F98.2Very high97.4Very high2 Ų219.3 Ų19.31%0.00910%0.102CC..  trans-60.9134.4175.1-74.6-9.4000109.5L185 R206 L210 F233 E308 L309 A346 L352L185-F235 HydrophobicContact CD1-CE1 4.06Å; R206-F235 HydrophobicContact CB-CE1 4.46Å; L210-F235 HydrophobicContact CD2-CZ 3.81Å; F233-F235 HydrophobicContact CB-CB 4.43Å; F233-F235 HydrophobicContact CB-CD1 3.89Å; F233-F235 HydrophobicContact CB-CD2 4.06Å; F233-F235 HydrophobicContact CB-CE1 4.14Å; F233-F235 HydrophobicContact CB-CE2 4.31Å; F233-F235 HydrophobicContact CB-CG 3.84Å; F233-F235 HydrophobicContact CB-CZ 4.35Å; F233-F235 HydrophobicContact CD1-CE1 4.08Å; F233-F235 AromaticContact CD1-CE2 3.97Å; F233-F235 HydrophobicContact CD1-CE2 3.97Å; F233-F235 AromaticContact CD1-CZ 3.72Å; F233-F235 HydrophobicContact CD1-CZ 3.72Å; F233-F235 HydrophobicContact CG-CE2 4.36Å; F233-F235 HydrophobicContact CG-CZ 4.41Å; F233-F235 PolarHBondContact O-N 2.92Å; F235-E308 WeakPolarHBondContact CA-OE1 3.46Å; F235-E308 HydrophobicContact CB-CB 4.34Å; F235-E308 HydrophobicContact CD1-CB 3.73Å; F235-E308 HydrophobicContact CD1-CG 4.29Å; F235-E308 HydrophobicContact CD2-CB 4.04Å; F235-E308 HydrophobicContact CE1-CB 3.94Å; F235-E308 HydrophobicContact CE2-CB 4.23Å; F235-E308 HydrophobicContact CG-CB 3.79Å; F235-E308 HydrophobicContact CG-CG 4.41Å; F235-E308 HydrophobicContact CZ-CB 4.18Å; F235-L309 HydrophobicContact CE2-CB 4.23Å; F235-A346 WeakPolarHBondContact O-CB 3.37Å; F235-L352 HydrophobicContact CE2-CD1 4.5Å
236R97.5Very high97.4Very high15 Ų1519.3 Ų19.36%0.05710%0.101CC..  trans-118.8154.1-177.9-54.1-54.3176.379.6-4.3109.4D188 N234 E308D188-R236 IonicContact OD2-NH1 3.92Å; N234-R236 WeakPolarHBondContact O-CD 3.24Å; N234-R236 WeakPolarHBondContact O-CG 3.22Å; N234-R236 PolarHBondContact O-N 2.81Å; N234-R236 PolarHBondContact O-NE 2.97Å; N234-R236 PolarHBondContact OD1-NH2 2.92Å; R236-E308 PolarHBondContact N-OE1 3.37Å
237L97.8Very high97.3Very high6 Ų618.9 Ų18.93%0.03110%0.098CC..  trans-65.1149.7166.6-52.3-177.7000109.6S239 V242 L302 F305 D306 P345 A346 W347L237-S239 VanDerWaalsContact C-N 3.3Å; L237-S239 PolarHBondContact O-N 3.48Å; L237-S239 PolarHBondContact O-OG 3.35Å; L237-V242 HydrophobicContact CB-CG2 3.6Å; L237-V242 HydrophobicContact CD1-CG2 3.87Å; L237-V242 HydrophobicContact CG-CG2 4.38Å; L237-L302 HydrophobicContact CD1-CB 4.02Å; L237-L302 HydrophobicContact CD1-CD1 4.33Å; L237-F305 WeakPolarHBondContact CA-O 3.4Å; L237-F305 HydrophobicContact CB-CB 4.11Å; L237-F305 HydrophobicContact CD2-CB 4.49Å; L237-D306 HydrophobicContact CD2-CB 3.88Å; L237-P345 WeakPolarHBondContact CD1-O 3.39Å; L237-A346 HydrophobicContact CG-CB 4.31Å; L237-W347 HydrophobicContact CD2-CE3 3.98Å; L237-W347 HydrophobicContact CD2-CZ3 3.75Å
238D97.6Very high97Very high23 Ų2323.1 Ų23.112%0.12313%0.126CC..  trans-55.694.6166.7176.7-11.1000109.5S198 K240 S241 V242 F305 K307S198-D238 VanDerWaalsContact OG-CG 3.29Å; S198-D238 PolarHBondContact OG-OD1 2.73Å; D238-K240 PolarHBondContact O-N 3.49Å; D238-K240 PolarHBondContact OD1-N 2.92Å; D238-S241 PolarHBondContact O-N 2.75Å; D238-S241 VanDerWaalsContact O-N 3.15Å; D238-S241 PolarHBondContact OD1-N 3.45Å; D238-S241 PolarHBondContact OD1-OG 3.11Å; D238-S241 PolarHBondContact OD2-OG 3.17Å; D238-V242 WeakPolarHBondContact O-CG2 3.24Å; D238-V242 PolarHBondContact O-N 3.26Å; D238-F305 HydrophobicContact CB-CB 4.32Å; D238-F305 PolarHBondContact N-O 3.19Å; D238-K307 HydrophobicContact CB-CD 4.36Å; D238-K307 IonicContact OD2-NZ 3.42Å; D238-K307 PolarHBondContact OD2-NZ 2.69Å
239S94.6Very high96.6Very high17 Ų1730.3 Ų30.312%0.11916%0.157CC..Hα-helixtrans-63.1-31.7-165.9-63.50000112.1L237 V243L237-S239 VanDerWaalsContact C-N 3.3Å; L237-S239 PolarHBondContact O-N 3.48Å; L237-S239 PolarHBondContact O-OG 3.35Å; S239-V243 WeakPolarHBondContact O-CB 3.49Å; S239-V243 WeakPolarHBondContact O-CG2 3.33Å; S239-V243 PolarHBondContact O-N 3.44Å
240K96Very high96.3Very high80 Ų8031.3 Ų31.335%0.34817%0.166SC..Hα-helixtrans-68.2-52176.5-173.5172.3177.8176.70111D238 V242 V243 E244D238-K240 PolarHBondContact O-N 3.49Å; D238-K240 PolarHBondContact OD1-N 2.92Å; K240-V242 VanDerWaalsContact C-N 3.32Å; K240-V242 PolarHBondContact O-N 3.15Å; K240-V243 PolarHBondContact O-N 3.41Å; K240-E244 WeakPolarHBondContact CE-OE1 3.43Å; K240-E244 HydrophobicContact CG-CG 4.44Å; K240-E244 WeakPolarHBondContact O-CB 3.42Å; K240-E244 WeakPolarHBondContact O-CG 3.09Å; K240-E244 PolarHBondContact O-N 3.5Å
241S97.3Very high96Very high28 Ų2834.9 Ų34.920%0.19619%0.188CC..Hα-helixtrans-60.6-40.9179.8-62.30000112D238 T245 F305D238-S241 PolarHBondContact O-N 2.75Å; D238-S241 VanDerWaalsContact O-N 3.15Å; D238-S241 PolarHBondContact OD1-N 3.45Å; D238-S241 PolarHBondContact OD1-OG 3.11Å; D238-S241 PolarHBondContact OD2-OG 3.17Å; S241-T245 WeakPolarHBondContact O-CB 3.37Å; S241-T245 PolarHBondContact O-N 2.83Å; S241-T245 PolarHBondContact O-OG1 3.41Å; S241-F305 VanDerWaalsContact CB-CD1 3.45Å
242V97Very high95.9Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-61.6-49.9175172.40000110.9L237 D238 K240 E244 T245 L246 F305L237-V242 HydrophobicContact CB-CG2 3.6Å; L237-V242 HydrophobicContact CD1-CG2 3.87Å; L237-V242 HydrophobicContact CG-CG2 4.38Å; D238-V242 WeakPolarHBondContact O-CG2 3.24Å; D238-V242 PolarHBondContact O-N 3.26Å; K240-V242 VanDerWaalsContact C-N 3.32Å; K240-V242 PolarHBondContact O-N 3.15Å; V242-E244 PolarHBondContact O-N 2.97Å; V242-T245 PolarHBondContact O-N 2.95Å; V242-L246 HydrophobicContact CG1-CD1 3.66Å; V242-L246 HydrophobicContact CG1-CG 4.12Å; V242-L246 WeakPolarHBondContact O-CB 3.33Å; V242-L246 WeakPolarHBondContact O-CG 3.37Å; V242-L246 PolarHBondContact O-N 3.08Å; V242-F305 HydrophobicContact CG2-CB 3.7Å; V242-F305 HydrophobicContact CG2-CD2 3.59Å; V242-F305 HydrophobicContact CG2-CE2 4.4Å; V242-F305 HydrophobicContact CG2-CG 3.69Å
243V96.4Very high95.7Very high1 Ų143.5 Ų43.51%0.00623%0.229CC..Hα-helixtrans-63.1-42.7-178.61680000111.4S239 K240 T245 L246 C247 F268 L279 F286S239-V243 WeakPolarHBondContact O-CB 3.49Å; S239-V243 WeakPolarHBondContact O-CG2 3.33Å; S239-V243 PolarHBondContact O-N 3.44Å; K240-V243 PolarHBondContact O-N 3.41Å; V243-T245 VanDerWaalsContact C-N 3.28Å; V243-T245 PolarHBondContact O-N 2.82Å; V243-L246 PolarHBondContact O-N 2.93Å; V243-C247 WeakPolarHBondContact O-CA 3.47Å; V243-C247 WeakPolarHBondContact O-CB 3.48Å; V243-C247 PolarHBondContact O-N 2.83Å; V243-F268 HydrophobicContact CG1-CD1 4.42Å; V243-F268 HydrophobicContact CG1-CD2 4.37Å; V243-F268 HydrophobicContact CG1-CE1 3.78Å; V243-F268 HydrophobicContact CG1-CE2 3.74Å; V243-F268 HydrophobicContact CG1-CZ 3.4Å; V243-F268 VanDerWaalsContact CG1-CZ 3.4Å; V243-L279 HydrophobicContact CB-CD2 4.19Å; V243-L279 HydrophobicContact CG1-CD2 3.64Å; V243-L279 HydrophobicContact CG2-CD2 3.57Å; V243-F286 HydrophobicContact CG2-CE2 4.08Å
244E95.4Very high95.6Very high99 Ų9946 Ų4646%0.46324%0.244SC..Hα-helixtrans-63.1-35.4176.9-72.2174.5171.500112.2K240 V242 T248K240-E244 WeakPolarHBondContact CE-OE1 3.43Å; K240-E244 HydrophobicContact CG-CG 4.44Å; K240-E244 WeakPolarHBondContact O-CB 3.42Å; K240-E244 WeakPolarHBondContact O-CG 3.09Å; K240-E244 PolarHBondContact O-N 3.5Å; V242-E244 PolarHBondContact O-N 2.97Å; E244-T248 WeakPolarHBondContact O-CA 3.37Å; E244-T248 PolarHBondContact O-N 2.83Å; E244-T248 VanDerWaalsContact O-N 3.15Å; E244-T248 PolarHBondContact O-OG1 3.07Å
245T95.9Very high95.5Very high73 Ų7348.1 Ų48.145%0.44826%0.257SS..Hα-helixtrans-72.6-46.6176.4-57.50000111.9S241 V242 V243 C247 T248 F305S241-T245 WeakPolarHBondContact O-CB 3.37Å; S241-T245 PolarHBondContact O-N 2.83Å; S241-T245 PolarHBondContact O-OG1 3.41Å; V242-T245 PolarHBondContact O-N 2.95Å; V243-T245 VanDerWaalsContact C-N 3.28Å; V243-T245 PolarHBondContact O-N 2.82Å; T245-C247 VanDerWaalsContact C-N 3.32Å; T245-C247 PolarHBondContact O-N 2.93Å; T245-T248 PolarHBondContact O-OG1 2.96Å; T245-F305 HydrophobicContact CG2-CE2 4.44Å; T245-F305 HydrophobicContact CG2-CZ 4.16Å; T245-F305 WeakPolarHBondContact OG1-CZ 3.3Å
246L95.1Very high95.4Very high19 Ų1954.2 Ų54.210%0.09928%0.28CS..Hα-helixtrans-70.1-30.3179.3-66.7-179.5000112.4V242 V243 M278 F286 Y288 V293 F294V242-L246 HydrophobicContact CG1-CD1 3.66Å; V242-L246 HydrophobicContact CG1-CG 4.12Å; V242-L246 WeakPolarHBondContact O-CB 3.33Å; V242-L246 WeakPolarHBondContact O-CG 3.37Å; V242-L246 PolarHBondContact O-N 3.08Å; V243-L246 PolarHBondContact O-N 2.93Å; L246-M278 WeakPolarHBondContact O-CE 3.21Å; L246-F286 HydrophobicContact CD1-CZ 4.47Å; L246-Y288 HydrophobicContact CB-CE2 3.9Å; L246-Y288 HydrophobicContact CD1-CD1 4.19Å; L246-Y288 HydrophobicContact CD1-CE1 4.13Å; L246-Y288 HydrophobicContact CD1-CE2 4.48Å; L246-Y288 HydrophobicContact CD1-CG 4.39Å; L246-Y288 HydrophobicContact CD2-CE1 4.13Å; L246-Y288 PolarHBondContact O-OH 2.7Å; L246-V293 HydrophobicContact CD2-CG1 3.95Å; L246-V293 HydrophobicContact CD2-CG2 4.13Å; L246-F294 HydrophobicContact CD1-CE1 4.21Å; L246-F294 HydrophobicContact CD1-CE2 4.46Å; L246-F294 HydrophobicContact CD1-CZ 3.63Å
247C95.2Very high95.2Very high7 Ų754.5 Ų54.55%0.04729%0.286CS..THydrogen-bonded Turntrans-111.427.2-174.5-57.40000113V243 T245 K249 A250 F268V243-C247 WeakPolarHBondContact O-CA 3.47Å; V243-C247 WeakPolarHBondContact O-CB 3.48Å; V243-C247 PolarHBondContact O-N 2.83Å; T245-C247 VanDerWaalsContact C-N 3.32Å; T245-C247 PolarHBondContact O-N 2.93Å; C247-K249 PolarHBondContact O-N 3Å; C247-K249 VanDerWaalsContact O-N 3.1Å; C247-A250 HydrophobicContact CB-CB 3.82Å; C247-A250 VanDerWaalsContact O-CB 3.23Å; C247-A250 WeakPolarHBondContact O-CB 3.5Å; C247-A250 PolarHBondContact O-N 3.21Å; C247-F268 HydrophobicContact CB-CB 4.13Å; C247-F268 HydrophobicContact CB-CD1 3.73Å; C247-F268 HydrophobicContact CB-CE1 4.45Å; C247-F268 HydrophobicContact CB-CG 4.09Å
248T91.9Very high94.9Very high109 Ų10959.8 Ų59.867%0.66933%0.331SS*.THydrogen-bonded Turntrans-56.3-31.7-174.3-550000113.9E244 T245E244-T248 WeakPolarHBondContact O-CA 3.37Å; E244-T248 PolarHBondContact O-N 2.83Å; E244-T248 VanDerWaalsContact O-N 3.15Å; E244-T248 PolarHBondContact O-OG1 3.07Å; T245-T248 PolarHBondContact O-OG1 2.96Å
249K89.3Confident94.6Very high150 Ų15065.5 Ų65.565%0.65236%0.361SS*.THydrogen-bonded Turntrans-98.418.8177.1-61.7-172.5-179.8-177.20113.6C247 S271C247-K249 PolarHBondContact O-N 3Å; C247-K249 VanDerWaalsContact O-N 3.1Å; K249-S271 VanDerWaalsContact O-CB 3.29Å; K249-S271 WeakPolarHBondContact O-CB 3.46Å; K249-S271 PolarHBondContact O-N 3.37Å; K249-S271 PolarHBondContact O-OG 3.11Å
250A93Very high94.4Very high21 Ų2168 Ų6817%0.17438%0.376CS..EExtended strand (participates in β ladder)trans-105.8150-176.200000113C247 F268 R269 M278C247-A250 HydrophobicContact CB-CB 3.82Å; C247-A250 VanDerWaalsContact O-CB 3.23Å; C247-A250 WeakPolarHBondContact O-CB 3.5Å; C247-A250 PolarHBondContact O-N 3.21Å; A250-F268 HydrophobicContact CB-CB 3.88Å; A250-F268 HydrophobicContact CB-CD1 4.37Å; A250-R269 CarbonylContact C-O 2.89Å; A250-R269 WeakPolarHBondContact CA-O 3.41Å; A250-R269 WeakPolarHBondContact CB-O 3.5Å; A250-M278 HydrophobicContact CB-SD 3.71Å
251T93.6Very high94.2Very high76 Ų7669.3 Ų69.347%0.46639%0.387SS..EExtended strand (participates in β ladder)trans-94.6132.4164.452.70000109.9F268 R269T251-F268 WeakPolarHBondContact O-CA 3.27Å; T251-R269 PolarHBondContact N-O 3.26Å; T251-R269 PolarHBondContact O-N 3.39Å; T251-R269 PolarHBondContact OG1-O 2.92Å
252M95.3Very high93.9Very high91 Ų9174 Ų7445%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-90.8132.1178.8-173.5-1687000111.1W195 L266 I267 F268W195-M252 HydrophobicContact CH2-SD 3.66Å; W195-M252 HydrophobicContact CZ2-SD 4Å; M252-L266 HydrophobicContact SD-CD1 4.42Å; M252-L266 HydrophobicContact SD-CD2 4.19Å; M252-I267 CarbonylContact C-O 3.59Å; M252-F268 HydrophobicContact CB-CD1 4.04Å; M252-F268 HydrophobicContact CB-CE1 3.81Å; M252-F268 HydrophobicContact CB-CZ 4.31Å; M252-F268 HydrophobicContact CG-CD1 4.28Å; M252-F268 HydrophobicContact CG-CE1 3.79Å; M252-F268 HydrophobicContact CG-CE2 4.23Å; M252-F268 HydrophobicContact CG-CZ 3.76Å; M252-F268 HydrophobicContact SD-CE1 4.22Å; M252-F268 HydrophobicContact SD-CZ 3.91Å
253Q95.3Very high93.8Very high90 Ų9076 Ų7642%0.42142%0.417SS..EExtended strand (participates in β ladder)trans-113.9128.7167-176.2-173.95.500110.1L266 I267Q253-L266 WeakPolarHBondContact O-CA 3.08Å; Q253-I267 HydrophobicContact CB-CB 4.45Å; Q253-I267 PolarHBondContact N-O 3.39Å; Q253-I267 PolarHBondContact O-N 2.9Å
254T96.8Very high93.8Very high53 Ų5379 Ų7933%0.32544%0.436SS..EExtended strand (participates in β ladder)trans-93.6131.8170.9-50.70000110.2R256 V263 L266T254-R256 HydrophobicContact CG2-CG 4.1Å; T254-V263 HydrophobicContact CG2-CB 4.27Å; T254-V263 HydrophobicContact CG2-CG1 3.73Å; T254-V263 HydrophobicContact CG2-CG2 3.68Å; T254-L266 HydrophobicContact CG2-CD2 3.92Å
255V96.7Very high93.9Very high50 Ų5076.5 Ų76.530%0.30342%0.423SS..EExtended strand (participates in β ladder)trans-109.2130.2169.2-1770000108.4V264 K265 I267V255-V264 HydrophobicContact CB-CG2 4.43Å; V255-V264 HydrophobicContact CG1-CG2 4.07Å; V255-V264 WeakPolarHBondContact O-CG2 3.35Å; V255-V264 PolarHBondContact O-N 2.92Å; V255-K265 HydrophobicContact CB-CB 4.03Å; V255-K265 HydrophobicContact CG2-CB 4.42Å; V255-K265 HydrophobicContact CG2-CD 4.37Å; V255-K265 HydrophobicContact CG2-CG 4.37Å; V255-K265 PolarHBondContact N-O 3.17Å; V255-K265 PolarHBondContact O-N 3Å; V255-I267 HydrophobicContact CG2-CD1 4.18Å
256R96.2Very high94Very high131 Ų13173.2 Ų73.249%0.49440%0.403SS..EExtended strand (participates in β ladder)trans-115.8147-178.3-65-179.7177.5-89.4-2.4111T254 N261 E262 V263T254-R256 HydrophobicContact CG2-CG 4.1Å; R256-N261 WeakPolarHBondContact CD-O 3.44Å; R256-N261 WeakPolarHBondContact CD-OD1 3.44Å; R256-N261 PolarHBondContact NH1-O 2.85Å; R256-E262 CarbonylContact C-O 3.5Å; R256-E262 WeakPolarHBondContact CA-O 3.43Å; R256-V263 HydrophobicContact CG-CG2 4.39Å
257A93.3Very high94.1Very high21 Ų2172.9 Ų72.917%0.17440%0.401CS..  trans-64.1138.5171.400000110.2D259 T260 N261 E262 V264A257-D259 VanDerWaalsContact C-N 3.3Å; A257-D259 WeakPolarHBondContact CB-OD1 3.47Å; A257-D259 PolarHBondContact O-N 2.94Å; A257-T260 WeakPolarHBondContact CB-OG1 3.24Å; A257-N261 VanDerWaalsContact O-CA 3.23Å; A257-N261 WeakPolarHBondContact O-CA 3.49Å; A257-N261 PolarHBondContact O-N 3.12Å; A257-E262 PolarHBondContact N-O 2.85Å; A257-V264 HydrophobicContact CB-CG1 3.84Å
258A90.7Very high94.2Very high117 Ų11773.2 Ų73.297%0.96740%0.402SS*.THydrogen-bonded Turntrans-69.8-27.4-173.800000113.4
259D92.3Very high94.3Very high142 Ų14271.1 Ų71.176%0.75938%0.381SS*.THydrogen-bonded Turntrans-94.3-41.7-175.157.3-20.7000113A257A257-D259 VanDerWaalsContact C-N 3.3Å; A257-D259 WeakPolarHBondContact CB-OD1 3.47Å; A257-D259 PolarHBondContact O-N 2.94Å
260T90.8Very high94.4Very high71 Ų7166 Ų6644%0.43636%0.36SS..THydrogen-bonded Turntrans-102.4-12.3-176.666.20000113.9A257 E262A257-T260 WeakPolarHBondContact CB-OG1 3.24Å; T260-E262 PolarHBondContact O-N 2.78Å; T260-E262 WeakPolarHBondContact OG1-CB 3.1Å; T260-E262 WeakPolarHBondContact OG1-CG 3.48Å; T260-E262 PolarHBondContact OG1-N 3.34Å
261N89.9Confident93.9Very high107 Ų10767.5 Ų67.557%0.57237%0.369SS*.  trans57.512.2-170.9-162.644.5000114.1R256 A257R256-N261 WeakPolarHBondContact CD-O 3.44Å; R256-N261 WeakPolarHBondContact CD-OD1 3.44Å; R256-N261 PolarHBondContact NH1-O 2.85Å; A257-N261 VanDerWaalsContact O-CA 3.23Å; A257-N261 WeakPolarHBondContact O-CA 3.49Å; A257-N261 PolarHBondContact O-N 3.12Å
262E92.1Very high93.1Very high127 Ų12770.6 Ų70.659%0.59338%0.383SS*.  trans-68.9145.1176.1-70.7178.7166.300110.7R256 A257 T260 V264R256-E262 CarbonylContact C-O 3.5Å; R256-E262 WeakPolarHBondContact CA-O 3.43Å; A257-E262 PolarHBondContact N-O 2.85Å; T260-E262 PolarHBondContact O-N 2.78Å; T260-E262 WeakPolarHBondContact OG1-CB 3.1Å; T260-E262 WeakPolarHBondContact OG1-CG 3.48Å; T260-E262 PolarHBondContact OG1-N 3.34Å; E262-V264 PolarHBondContact O-N 2.75Å
263V94.3Very high91.9Very high41 Ų4170.9 Ų70.925%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-71118173.8179.60000108.6L192 T254 R256 L266L192-V263 WeakPolarHBondContact CD1-O 3.32Å; L192-V263 HydrophobicContact CD2-CG1 4.44Å; T254-V263 HydrophobicContact CG2-CB 4.27Å; T254-V263 HydrophobicContact CG2-CG1 3.73Å; T254-V263 HydrophobicContact CG2-CG2 3.68Å; R256-V263 HydrophobicContact CG-CG2 4.39Å; V263-L266 HydrophobicContact CG1-CD2 3.8Å; V263-L266 HydrophobicContact CG1-CG 4.3Å
264V96.8Very high91.1Very high64 Ų6473.7 Ų73.739%0.38840%0.404SS..EExtended strand (participates in β ladder)trans-106.1-21179.8-66.30000112.8L192 V255 A257 E262L192-V264 WeakPolarHBondContact CD1-O 3.35Å; V255-V264 HydrophobicContact CB-CG2 4.43Å; V255-V264 HydrophobicContact CG1-CG2 4.07Å; V255-V264 WeakPolarHBondContact O-CG2 3.35Å; V255-V264 PolarHBondContact O-N 2.92Å; A257-V264 HydrophobicContact CB-CG1 3.84Å; E262-V264 PolarHBondContact O-N 2.75Å
265K97.8Very high90.4Very high46 Ų4679.8 Ų79.820%0.242%0.422CS..EExtended strand (participates in β ladder)trans-159.1139.9-174.8171.2178.9-170.2153.90111.5V255 I267 Q280 L281 E282V255-K265 HydrophobicContact CB-CB 4.03Å; V255-K265 HydrophobicContact CG2-CB 4.42Å; V255-K265 HydrophobicContact CG2-CD 4.37Å; V255-K265 HydrophobicContact CG2-CG 4.37Å; V255-K265 PolarHBondContact N-O 3.17Å; V255-K265 PolarHBondContact O-N 3Å; K265-I267 HydrophobicContact CD-CD1 4.16Å; K265-I267 HydrophobicContact CD-CG1 4.12Å; K265-I267 HydrophobicContact CG-CD1 4.45Å; K265-I267 HydrophobicContact CG-CG1 3.91Å; K265-Q280 VanDerWaalsContact CE-OE1 3.31Å; K265-Q280 HydrophobicContact CG-CG 4.43Å; K265-L281 CarbonylContact C-O 3.59Å; K265-L281 WeakPolarHBondContact CA-O 3.05Å; K265-E282 HydrophobicContact CB-CG 4Å; K265-E282 HydrophobicContact CD-CG 4.42Å; K265-E282 WeakPolarHBondContact CD-OE1 3.29Å; K265-E282 HydrophobicContact CG-CG 4Å; K265-E282 IonicContact NZ-OE1 3.69Å; K265-E282 PolarHBondContact NZ-OE1 3.21Å
266L97.7Very high90Very high4 Ų483.1 Ų83.12%0.02143%0.432CS..EExtended strand (participates in β ladder)trans-115.5137.8167.1-55.9176000109L192 W195 M252 Q253 T254 V263 F268 L281L192-L266 HydrophobicContact CD2-CD1 4.09Å; L192-L266 HydrophobicContact CD2-CG 3.84Å; W195-L266 HydrophobicContact CD2-CD1 3.85Å; W195-L266 HydrophobicContact CE3-CD1 3.44Å; W195-L266 VanDerWaalsContact CE3-CD1 3.44Å; W195-L266 HydrophobicContact CH2-CD1 3.94Å; W195-L266 HydrophobicContact CZ2-CD1 4.3Å; W195-L266 HydrophobicContact CZ3-CD1 3.5Å; W195-L266 VanDerWaalsContact CZ3-CD1 3.5Å; M252-L266 HydrophobicContact SD-CD1 4.42Å; M252-L266 HydrophobicContact SD-CD2 4.19Å; Q253-L266 WeakPolarHBondContact O-CA 3.08Å; T254-L266 HydrophobicContact CG2-CD2 3.92Å; V263-L266 HydrophobicContact CG1-CD2 3.8Å; V263-L266 HydrophobicContact CG1-CG 4.3Å; L266-F268 HydrophobicContact CB-CE2 3.97Å; L266-L281 HydrophobicContact CB-CB 4.19Å; L266-L281 HydrophobicContact CD1-CD2 4.22Å; L266-L281 PolarHBondContact N-O 2.98Å; L266-L281 PolarHBondContact O-N 2.63Å
267I97.5Very high89.9Confident13 Ų1379.7 Ų79.77%0.06743%0.425CS..EExtended strand (participates in β ladder)trans-127.2121.5178.5-47.1175.5000108.5M252 Q253 V255 K265 R269 V277M252-I267 CarbonylContact C-O 3.59Å; Q253-I267 HydrophobicContact CB-CB 4.45Å; Q253-I267 PolarHBondContact N-O 3.39Å; Q253-I267 PolarHBondContact O-N 2.9Å; V255-I267 HydrophobicContact CG2-CD1 4.18Å; K265-I267 HydrophobicContact CD-CD1 4.16Å; K265-I267 HydrophobicContact CD-CG1 4.12Å; K265-I267 HydrophobicContact CG-CD1 4.45Å; K265-I267 HydrophobicContact CG-CG1 3.91Å; I267-R269 HydrophobicContact CG2-CG 4.22Å; I267-V277 HydrophobicContact CG2-CB 4.45Å; I267-V277 HydrophobicContact CG2-CG1 3.81Å; I267-V277 HydrophobicContact CG2-CG2 3.89Å
268F96.8Very high90Very high14 Ų1479.5 Ų79.56%0.06142%0.421CS..EExtended strand (participates in β ladder)trans-102.2124.4174.7-64.1-100.6000108.8W195 V243 C247 A250 T251 M252 L266 M278 L279W195-F268 HydrophobicContact CZ2-CZ 4.18Å; V243-F268 HydrophobicContact CG1-CD1 4.42Å; V243-F268 HydrophobicContact CG1-CD2 4.37Å; V243-F268 HydrophobicContact CG1-CE1 3.78Å; V243-F268 HydrophobicContact CG1-CE2 3.74Å; V243-F268 HydrophobicContact CG1-CZ 3.4Å; V243-F268 VanDerWaalsContact CG1-CZ 3.4Å; C247-F268 HydrophobicContact CB-CB 4.13Å; C247-F268 HydrophobicContact CB-CD1 3.73Å; C247-F268 HydrophobicContact CB-CE1 4.45Å; C247-F268 HydrophobicContact CB-CG 4.09Å; A250-F268 HydrophobicContact CB-CB 3.88Å; A250-F268 HydrophobicContact CB-CD1 4.37Å; T251-F268 WeakPolarHBondContact O-CA 3.27Å; M252-F268 HydrophobicContact CB-CD1 4.04Å; M252-F268 HydrophobicContact CB-CE1 3.81Å; M252-F268 HydrophobicContact CB-CZ 4.31Å; M252-F268 HydrophobicContact CG-CD1 4.28Å; M252-F268 HydrophobicContact CG-CE1 3.79Å; M252-F268 HydrophobicContact CG-CE2 4.23Å; M252-F268 HydrophobicContact CG-CZ 3.76Å; M252-F268 HydrophobicContact SD-CE1 4.22Å; M252-F268 HydrophobicContact SD-CZ 3.91Å; L266-F268 HydrophobicContact CB-CE2 3.97Å; F268-M278 PolarHBondContact O-N 3.19Å; F268-L279 HydrophobicContact CB-CB 4.1Å; F268-L279 HydrophobicContact CD2-CB 4.01Å; F268-L279 HydrophobicContact CD2-CD2 3.84Å; F268-L279 HydrophobicContact CD2-CG 4.14Å; F268-L279 HydrophobicContact CE2-CD2 4.04Å; F268-L279 HydrophobicContact CG-CB 4.36Å; F268-L279 PolarHBondContact N-O 2.64Å; F268-L279 PolarHBondContact O-N 2.73Å
269R95.2Very high90.3Very high64 Ų6474 Ų7424%0.24238%0.375CS..EExtended strand (participates in β ladder)trans-121.8140.9179.6-69.5-176.7-177.384.8-6.9111.7A250 T251 I267 S271 R275 K276 V277A250-R269 CarbonylContact C-O 2.89Å; A250-R269 WeakPolarHBondContact CA-O 3.41Å; A250-R269 WeakPolarHBondContact CB-O 3.5Å; T251-R269 PolarHBondContact N-O 3.26Å; T251-R269 PolarHBondContact O-N 3.39Å; T251-R269 PolarHBondContact OG1-O 2.92Å; I267-R269 HydrophobicContact CG2-CG 4.22Å; R269-S271 PolarHBondContact O-N 2.83Å; R269-R275 HydrophobicContact CB-CB 4.47Å; R269-R275 VanDerWaalsContact CD-O 3.29Å; R269-R275 WeakPolarHBondContact CD-O 3.38Å; R269-R275 WeakPolarHBondContact CG-O 3.42Å; R269-K276 VanDerWaalsContact CA-O 3.3Å; R269-K276 WeakPolarHBondContact CA-O 3.43Å; R269-V277 HydrophobicContact CG-CG2 4.15Å
270E91.1Very high90.6Very high42 Ų4269.1 Ų69.120%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-52135.7175-68.8-178.9173.500111.4N273 K276 M278E270-N273 HydrophobicContact CB-CB 4.29Å; E270-N273 WeakPolarHBondContact OE2-CB 3.44Å; E270-N273 PolarHBondContact OE2-ND2 2.84Å; E270-K276 PolarHBondContact N-O 2.89Å; E270-K276 VanDerWaalsContact N-O 3.08Å; E270-M278 HydrophobicContact CB-SD 4.46Å; E270-M278 HydrophobicContact CG-CG 3.53Å; E270-M278 HydrophobicContact CG-SD 3.52Å; E270-M278 VanDerWaalsContact CG-SD 3.52Å
271S82.4Confident90.9Very high54 Ų5465.9 Ų65.938%0.37833%0.328SS..SBendtrans-80.1-30-177.8-52.30000113.1K249 R269K249-S271 VanDerWaalsContact O-CB 3.29Å; K249-S271 WeakPolarHBondContact O-CB 3.46Å; K249-S271 PolarHBondContact O-N 3.37Å; K249-S271 PolarHBondContact O-OG 3.11Å; R269-S271 PolarHBondContact O-N 2.83Å
272D76.3Confident91.3Very high140 Ų14063.7 Ų63.775%0.74931%0.314SS*.SBendtrans-110.8-3.6-164.3-56-32.9000114.6
273N70.6Confident91.6Very high97 Ų9763.7 Ų63.752%0.51931%0.312SS..SBendtrans-124.3-160.5-173.2-165.713.5000111.3E270 R275E270-N273 HydrophobicContact CB-CB 4.29Å; E270-N273 WeakPolarHBondContact OE2-CB 3.44Å; E270-N273 PolarHBondContact OE2-ND2 2.84Å; N273-R275 PolarHBondContact O-N 2.71Å
274D79.1Confident91.7Very high150 Ų15068.8 Ų68.880%0.80233%0.331SS*.SBendtrans-54.613.5175-69.8-27000116.1K276D274-K276 PolarHBondContact O-N 2.67Å
275R80.8Confident91.8Very high181 Ų18167.7 Ų67.768%0.68332%0.323SS*.  trans5338-174.3-64-175.2167.1177.1-2.9112.1R269 N273 V277R269-R275 HydrophobicContact CB-CB 4.47Å; R269-R275 VanDerWaalsContact CD-O 3.29Å; R269-R275 WeakPolarHBondContact CD-O 3.38Å; R269-R275 WeakPolarHBondContact CG-O 3.42Å; N273-R275 PolarHBondContact O-N 2.71Å; R275-V277 PolarHBondContact O-N 3.24Å
276K89.7Confident91.8Very high120 Ų12065.9 Ų65.952%0.52232%0.315SS..  trans-58.1138.7176.2-170.2178.7177.1-174.50109.5R269 E270 D274 M278R269-K276 VanDerWaalsContact CA-O 3.3Å; R269-K276 WeakPolarHBondContact CA-O 3.43Å; E270-K276 PolarHBondContact N-O 2.89Å; E270-K276 VanDerWaalsContact N-O 3.08Å; D274-K276 PolarHBondContact O-N 2.67Å; K276-M278 PolarHBondContact O-N 3.1Å
277V93.6Very high91.8Very high58 Ų5868.6 Ų68.635%0.35233%0.329SS..EExtended strand (participates in β ladder)trans-68.5119.4173.91780000108.4I267 R269 R275I267-V277 HydrophobicContact CG2-CB 4.45Å; I267-V277 HydrophobicContact CG2-CG1 3.81Å; I267-V277 HydrophobicContact CG2-CG2 3.89Å; R269-V277 HydrophobicContact CG-CG2 4.15Å; R275-V277 PolarHBondContact O-N 3.24Å
278M95.2Very high91.8Very high18 Ų1868.8 Ų68.89%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-88.3-48.8175.5-63.7-178.471.500111L246 A250 F268 E270 K276 Y288 F289L246-M278 WeakPolarHBondContact O-CE 3.21Å; A250-M278 HydrophobicContact CB-SD 3.71Å; F268-M278 PolarHBondContact O-N 3.19Å; E270-M278 HydrophobicContact CB-SD 4.46Å; E270-M278 HydrophobicContact CG-CG 3.53Å; E270-M278 HydrophobicContact CG-SD 3.52Å; E270-M278 VanDerWaalsContact CG-SD 3.52Å; K276-M278 PolarHBondContact O-N 3.1Å; M278-Y288 WeakPolarHBondContact O-CA 3.43Å; M278-Y288 VanDerWaalsContact O-CD2 3.3Å; M278-Y288 WeakPolarHBondContact O-CD2 3.42Å; M278-F289 HydrophobicContact CB-CD1 3.99Å; M278-F289 HydrophobicContact CB-CE1 4.16Å; M278-F289 HydrophobicContact CE-CE1 3.83Å; M278-F289 HydrophobicContact CG-CD1 4.41Å; M278-F289 HydrophobicContact CG-CE1 4.25Å; M278-F289 WeakPolarHBondContact O-CD1 3.29Å; M278-F289 PolarHBondContact O-N 2.94Å
279L97.6Very high91.6Very high0 Ų072.5 Ų72.50%035%0.346CS..EExtended strand (participates in β ladder)trans-135.9132.9-178.8176.768.4000110V243 F268 F286 D287 Y288V243-L279 HydrophobicContact CB-CD2 4.19Å; V243-L279 HydrophobicContact CG1-CD2 3.64Å; V243-L279 HydrophobicContact CG2-CD2 3.57Å; F268-L279 HydrophobicContact CB-CB 4.1Å; F268-L279 HydrophobicContact CD2-CB 4.01Å; F268-L279 HydrophobicContact CD2-CD2 3.84Å; F268-L279 HydrophobicContact CD2-CG 4.14Å; F268-L279 HydrophobicContact CE2-CD2 4.04Å; F268-L279 HydrophobicContact CG-CB 4.36Å; F268-L279 PolarHBondContact N-O 2.64Å; F268-L279 PolarHBondContact O-N 2.73Å; L279-F286 HydrophobicContact CD1-CD1 4.36Å; L279-F286 HydrophobicContact CD1-CD2 4.11Å; L279-F286 HydrophobicContact CD1-CE1 4.17Å; L279-F286 HydrophobicContact CD1-CE2 3.91Å; L279-F286 HydrophobicContact CD1-CG 4.32Å; L279-F286 HydrophobicContact CD1-CZ 3.94Å; L279-F286 HydrophobicContact CD2-CE2 4.37Å; L279-D287 WeakPolarHBondContact CA-O 3.38Å; L279-Y288 HydrophobicContact CB-CD2 4.16Å; L279-Y288 HydrophobicContact CD1-CD2 4.42Å
280Q98Very high91.5Very high40 Ų4072 Ų7219%0.18735%0.348CS..EExtended strand (participates in β ladder)trans-112.8122.4162.9-179.7172.6-5200109.8K265 E282 L285 D287K265-Q280 VanDerWaalsContact CE-OE1 3.31Å; K265-Q280 HydrophobicContact CG-CG 4.43Å; Q280-E282 HydrophobicContact CG-CG 4.35Å; Q280-E282 PolarHBondContact NE2-OE1 3.44Å; Q280-L285 HydrophobicContact CB-CD2 4.48Å; Q280-L285 HydrophobicContact CG-CD2 3.84Å; Q280-D287 HydrophobicContact CB-CB 4.28Å; Q280-D287 PolarHBondContact N-O 3.35Å; Q280-D287 PolarHBondContact O-N 2.7Å
281L97.9Very high91.6Very high3 Ų372.2 Ų72.22%0.01635%0.349CS..EExtended strand (participates in β ladder)trans-114.9125.5177.8-160.970.2000110N191 L192 W195 K265 L266 L285 F286N191-L281 HydrophobicContact CB-CD1 3.63Å; N191-L281 HydrophobicContact CB-CG 4.02Å; L192-L281 HydrophobicContact CD2-CB 4.37Å; L192-L281 HydrophobicContact CD2-CD2 4.2Å; L192-L281 HydrophobicContact CD2-CG 4.16Å; W195-L281 HydrophobicContact CB-CD2 3.72Å; W195-L281 HydrophobicContact CG-CD2 3.92Å; K265-L281 CarbonylContact C-O 3.59Å; K265-L281 WeakPolarHBondContact CA-O 3.05Å; L266-L281 HydrophobicContact CB-CB 4.19Å; L266-L281 HydrophobicContact CD1-CD2 4.22Å; L266-L281 PolarHBondContact N-O 2.98Å; L266-L281 PolarHBondContact O-N 2.63Å; L281-L285 WeakPolarHBondContact CA-O 3.31Å; L281-F286 HydrophobicContact CD1-CB 4.27Å; L281-F286 HydrophobicContact CD1-CD2 3.48Å; L281-F286 VanDerWaalsContact CD1-CD2 3.48Å; L281-F286 HydrophobicContact CD1-CE2 4.26Å; L281-F286 HydrophobicContact CD1-CG 4.3Å
282E98.2Very high92.1Very high61 Ų6175.4 Ų75.429%0.28536%0.358SS..EExtended strand (participates in β ladder)trans-137.6175172.2-51.5-178.8-177.800109.2N191 K265 Q280 K284 L285N191-E282 WeakPolarHBondContact CB-O 3.14Å; N191-E282 PolarHBondContact ND2-O 2.9Å; K265-E282 HydrophobicContact CB-CG 4Å; K265-E282 HydrophobicContact CD-CG 4.42Å; K265-E282 WeakPolarHBondContact CD-OE1 3.29Å; K265-E282 HydrophobicContact CG-CG 4Å; K265-E282 IonicContact NZ-OE1 3.69Å; K265-E282 PolarHBondContact NZ-OE1 3.21Å; Q280-E282 HydrophobicContact CG-CG 4.35Å; Q280-E282 PolarHBondContact NE2-OE1 3.44Å; E282-K284 PolarHBondContact O-N 2.82Å; E282-L285 HydrophobicContact CB-CB 3.83Å; E282-L285 HydrophobicContact CG-CB 4.13Å; E282-L285 HydrophobicContact CG-CD2 4.16Å; E282-L285 PolarHBondContact N-O 2.63Å; E282-L285 PolarHBondContact O-N 2.85Å
283K96.6Very high93Very high128 Ų12870.5 Ų70.556%0.55733%0.333SS*.THydrogen-bonded Turntrans-46.3-42.7-178.9-176.3174-176.8171.10113.7S190 N191S190-K283 WeakPolarHBondContact CA-O 2.98Å; N191-K283 PolarHBondContact N-O 3.46Å; N191-K283 VanDerWaalsContact N-O 3.08Å
284K97.1Very high94.2Very high147 Ų14765.9 Ų65.964%0.63931%0.308SS*.THydrogen-bonded Turntrans-125.820.2178.1-62.5-170.6176.6-176.10114.3E282 T342 R343E282-K284 PolarHBondContact O-N 2.82Å; K284-T342 CarbonylContact C-O 3.54Å; K284-T342 WeakPolarHBondContact O-CA 3.23Å; K284-T342 VanDerWaalsContact O-O 3.1Å; K284-R343 VanDerWaalsContact CA-NH1 3.32Å
285L98.3Very high95Very high41 Ų4162 Ų6222%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-125.7130.5178.7-169.373.7000109.4N191 Q280 L281 E282 D287 N341N191-L285 PolarHBondContact ND2-N 3.22Å; N191-L285 PolarHBondContact ND2-O 3.23Å; N191-L285 VanDerWaalsContact ND2-O 3.13Å; Q280-L285 HydrophobicContact CB-CD2 4.48Å; Q280-L285 HydrophobicContact CG-CD2 3.84Å; L281-L285 WeakPolarHBondContact CA-O 3.31Å; E282-L285 HydrophobicContact CB-CB 3.83Å; E282-L285 HydrophobicContact CG-CB 4.13Å; E282-L285 HydrophobicContact CG-CD2 4.16Å; E282-L285 PolarHBondContact N-O 2.63Å; E282-L285 PolarHBondContact O-N 2.85Å; L285-D287 HydrophobicContact CD1-CB 4.2Å; L285-D287 HydrophobicContact CD2-CB 4.27Å; L285-D287 HydrophobicContact CG-CB 4.02Å; L285-N341 CarbonylContact C-O 3.56Å; L285-N341 WeakPolarHBondContact CA-O 3.08Å; L285-N341 HydrophobicContact CD1-CB 3.98Å
286F97.9Very high95.7Very high8 Ų857.8 Ų57.84%0.03527%0.273CS..EExtended strand (participates in β ladder)trans-132.491.3166.6-177.7-83.5000105.3V243 L246 L279 L281 F294 N341 C344V243-F286 HydrophobicContact CG2-CE2 4.08Å; L246-F286 HydrophobicContact CD1-CZ 4.47Å; L279-F286 HydrophobicContact CD1-CD1 4.36Å; L279-F286 HydrophobicContact CD1-CD2 4.11Å; L279-F286 HydrophobicContact CD1-CE1 4.17Å; L279-F286 HydrophobicContact CD1-CE2 3.91Å; L279-F286 HydrophobicContact CD1-CG 4.32Å; L279-F286 HydrophobicContact CD1-CZ 3.94Å; L279-F286 HydrophobicContact CD2-CE2 4.37Å; L281-F286 HydrophobicContact CD1-CB 4.27Å; L281-F286 HydrophobicContact CD1-CD2 3.48Å; L281-F286 VanDerWaalsContact CD1-CD2 3.48Å; L281-F286 HydrophobicContact CD1-CE2 4.26Å; L281-F286 HydrophobicContact CD1-CG 4.3Å; F286-F294 HydrophobicContact CE1-CE2 4.13Å; F286-F294 AromaticContact CE1-CZ 3.7Å; F286-F294 HydrophobicContact CE1-CZ 3.7Å; F286-F294 HydrophobicContact CZ-CZ 4.01Å; F286-N341 CarbonylContact C-O 3.55Å; F286-N341 PolarHBondContact N-O 2.91Å; F286-N341 CarbonylContact O-C 3.33Å; F286-N341 VanDerWaalsContact O-CA 3.24Å; F286-N341 WeakPolarHBondContact O-CA 3.48Å; F286-N341 WeakPolarHBondContact O-CB 3.18Å; F286-C344 HydrophobicContact CD1-CB 4.17Å; F286-C344 HydrophobicContact CD2-CB 3.75Å; F286-C344 HydrophobicContact CE1-CB 4.11Å; F286-C344 HydrophobicContact CE2-CB 3.68Å; F286-C344 HydrophobicContact CG-CB 4.02Å; F286-C344 HydrophobicContact CZ-CB 3.88Å
287D97.7Very high96Very high61 Ų6158.1 Ų58.133%0.32628%0.281SS..EExtended strand (participates in β ladder)trans-110.791.1-175.5-176.917.2000108.7L279 Q280 L285 N341L279-D287 WeakPolarHBondContact CA-O 3.38Å; Q280-D287 HydrophobicContact CB-CB 4.28Å; Q280-D287 PolarHBondContact N-O 3.35Å; Q280-D287 PolarHBondContact O-N 2.7Å; L285-D287 HydrophobicContact CD1-CB 4.2Å; L285-D287 HydrophobicContact CD2-CB 4.27Å; L285-D287 HydrophobicContact CG-CB 4.02Å; D287-N341 HydrophobicContact CB-CB 4.2Å; D287-N341 VanDerWaalsContact CG-ND2 3.34Å; D287-N341 PolarHBondContact OD1-ND2 3.03Å
288Y97.1Very high96.1Very high17 Ų1758.3 Ų58.37%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-100.4128.4177.1-176.4-117.6000109.8L246 M278 L279 N290 V293 F294L246-Y288 HydrophobicContact CB-CE2 3.9Å; L246-Y288 HydrophobicContact CD1-CD1 4.19Å; L246-Y288 HydrophobicContact CD1-CE1 4.13Å; L246-Y288 HydrophobicContact CD1-CE2 4.48Å; L246-Y288 HydrophobicContact CD1-CG 4.39Å; L246-Y288 HydrophobicContact CD2-CE1 4.13Å; L246-Y288 PolarHBondContact O-OH 2.7Å; M278-Y288 WeakPolarHBondContact O-CA 3.43Å; M278-Y288 VanDerWaalsContact O-CD2 3.3Å; M278-Y288 WeakPolarHBondContact O-CD2 3.42Å; L279-Y288 HydrophobicContact CB-CD2 4.16Å; L279-Y288 HydrophobicContact CD1-CD2 4.42Å; Y288-N290 HydrophobicContact CD1-CB 4.39Å; Y288-N290 WeakPolarHBondContact CD1-O 3.35Å; Y288-N290 HydrophobicContact CE1-CB 3.82Å; Y288-N290 WeakPolarHBondContact CE1-O 3.23Å; Y288-N290 PolarHBondContact O-N 3.1Å; Y288-N290 VanDerWaalsContact O-N 3.15Å; Y288-V293 HydrophobicContact CD1-CG1 4.28Å; Y288-V293 HydrophobicContact CE1-CG1 3.85Å; Y288-F294 AromaticContact CD1-CE2 3.95Å; Y288-F294 HydrophobicContact CD1-CE2 3.95Å; Y288-F294 HydrophobicContact CD1-CZ 4.49Å
289F93.4Very high96.1Very high93 Ų9357.5 Ų57.541%0.40828%0.276SS..SBendtrans-61.6-28.4-170.480.9-80.1000114.6M278M278-F289 HydrophobicContact CB-CD1 3.99Å; M278-F289 HydrophobicContact CB-CE1 4.16Å; M278-F289 HydrophobicContact CE-CE1 3.83Å; M278-F289 HydrophobicContact CG-CD1 4.41Å; M278-F289 HydrophobicContact CG-CE1 4.25Å; M278-F289 WeakPolarHBondContact O-CD1 3.29Å; M278-F289 PolarHBondContact O-N 2.94Å
290N93.6Very high96Very high54 Ų5460.5 Ų60.529%0.28929%0.294SS..  trans-115.882.7-179-179.412.4000110.9Y288 E292 V293Y288-N290 HydrophobicContact CD1-CB 4.39Å; Y288-N290 WeakPolarHBondContact CD1-O 3.35Å; Y288-N290 HydrophobicContact CE1-CB 3.82Å; Y288-N290 WeakPolarHBondContact CE1-O 3.23Å; Y288-N290 PolarHBondContact O-N 3.1Å; Y288-N290 VanDerWaalsContact O-N 3.15Å; N290-E292 PolarHBondContact O-N 3.15Å; N290-E292 WeakPolarHBondContact OD1-CB 3.48Å; N290-E292 PolarHBondContact OD1-N 2.96Å; N290-V293 VanDerWaalsContact O-CG1 3.31Å; N290-V293 WeakPolarHBondContact O-CG1 3.33Å
291Q91.8Very high95.9Very high46 Ų4662.2 Ų62.222%0.21532%0.316CS..G310 helixtrans-69.3-17.6178.1-70.4-163.7-6.400114.4V293 F294 Y339 N341Q291-V293 PolarHBondContact O-N 2.85Å; Q291-F294 WeakPolarHBondContact O-CD2 3.35Å; Q291-F294 PolarHBondContact O-N 2.85Å; Q291-Y339 PolarHBondContact NE2-O 3.4Å; Q291-Y339 VanDerWaalsContact OE1-N 3.16Å; Q291-Y339 PolarHBondContact OE1-O 2.88Å; Q291-N341 PolarHBondContact NE2-OD1 2.82Å
292E93.2Very high95.9Very high121 Ų12162.5 Ų62.557%0.56532%0.317SS*.G310 helixtrans-62.7-29.9-177-63.4-179169.500111.9N290 F294 R295 D296N290-E292 PolarHBondContact O-N 3.15Å; N290-E292 WeakPolarHBondContact OD1-CB 3.48Å; N290-E292 PolarHBondContact OD1-N 2.96Å; E292-F294 PolarHBondContact O-N 3.46Å; E292-R295 CarbonylContact O-C 3.48Å; E292-R295 WeakPolarHBondContact O-CA 3.33Å; E292-R295 PolarHBondContact O-N 3.43Å; E292-D296 PolarHBondContact O-N 3.46Å
293V95.6Very high95.9Very high36 Ų3661.9 Ų61.922%0.21832%0.316CS..G310 helixtrans-53.3-29.7177.276.70000113.7L246 Y288 N290 Q291 R295L246-V293 HydrophobicContact CD2-CG1 3.95Å; L246-V293 HydrophobicContact CD2-CG2 4.13Å; Y288-V293 HydrophobicContact CD1-CG1 4.28Å; Y288-V293 HydrophobicContact CE1-CG1 3.85Å; N290-V293 VanDerWaalsContact O-CG1 3.31Å; N290-V293 WeakPolarHBondContact O-CG1 3.33Å; Q291-V293 PolarHBondContact O-N 2.85Å; V293-R295 VanDerWaalsContact C-N 3.29Å; V293-R295 PolarHBondContact O-N 2.76Å
294F96.5Very high95.9Very high1 Ų162.4 Ų62.40%0.00432%0.32CS..G310 helixtrans-76.6-18.5-179.9-64-76.4000112.6L246 F286 Y288 Q291 E292 G299 L302 P325 Y339 P345L246-F294 HydrophobicContact CD1-CE1 4.21Å; L246-F294 HydrophobicContact CD1-CE2 4.46Å; L246-F294 HydrophobicContact CD1-CZ 3.63Å; F286-F294 HydrophobicContact CE1-CE2 4.13Å; F286-F294 AromaticContact CE1-CZ 3.7Å; F286-F294 HydrophobicContact CE1-CZ 3.7Å; F286-F294 HydrophobicContact CZ-CZ 4.01Å; Y288-F294 AromaticContact CD1-CE2 3.95Å; Y288-F294 HydrophobicContact CD1-CE2 3.95Å; Y288-F294 HydrophobicContact CD1-CZ 4.49Å; Q291-F294 WeakPolarHBondContact O-CD2 3.35Å; Q291-F294 PolarHBondContact O-N 2.85Å; E292-F294 PolarHBondContact O-N 3.46Å; F294-G299 WeakPolarHBondContact O-CA 3.17Å; F294-L302 HydrophobicContact CB-CD1 4.47Å; F294-L302 HydrophobicContact CD1-CD1 3.35Å; F294-L302 HydrophobicContact CE1-CD1 3.88Å; F294-L302 HydrophobicContact CG-CD1 4.23Å; F294-P325 WeakPolarHBondContact O-CD 3.48Å; F294-Y339 HydrophobicContact CB-CD2 4.24Å; F294-Y339 HydrophobicContact CB-CE2 3.7Å; F294-P345 HydrophobicContact CB-CB 3.95Å; F294-P345 HydrophobicContact CB-CG 4.02Å; F294-P345 HydrophobicContact CD1-CB 3.79Å; F294-P345 HydrophobicContact CD1-CG 3.84Å; F294-P345 HydrophobicContact CD2-CB 4.49Å; F294-P345 HydrophobicContact CD2-CG 3.75Å; F294-P345 HydrophobicContact CE1-CB 4.47Å; F294-P345 HydrophobicContact CE1-CG 4.27Å; F294-P345 HydrophobicContact CE2-CG 4.17Å; F294-P345 HydrophobicContact CG-CB 3.83Å; F294-P345 HydrophobicContact CG-CG 3.59Å; F294-P345 HydrophobicContact CZ-CG 4.43Å
295R95.4Very high95.9Very high67 Ų6755.9 Ų55.925%0.25329%0.292SS..THydrogen-bonded Turntrans-108.9-19.8179.4-56.7-171.7-67.4145.7-2.9112.7E292 V293 N297 N298 P324 E337 Y339E292-R295 CarbonylContact O-C 3.48Å; E292-R295 WeakPolarHBondContact O-CA 3.33Å; E292-R295 PolarHBondContact O-N 3.43Å; V293-R295 VanDerWaalsContact C-N 3.29Å; V293-R295 PolarHBondContact O-N 2.76Å; R295-N297 PolarHBondContact O-N 2.89Å; R295-N297 VanDerWaalsContact O-N 3.16Å; R295-N298 WeakPolarHBondContact O-CA 3.47Å; R295-N298 PolarHBondContact O-N 3.21Å; R295-P324 HydrophobicContact CB-CB 4.48Å; R295-P324 HydrophobicContact CG-CB 4.32Å; R295-E337 WeakPolarHBondContact CD-O 3.5Å; R295-E337 IonicContact CZ-OE2 3.57Å; R295-E337 PolarHBondContact NE-O 3.01Å; R295-E337 VanDerWaalsContact NH1-CG 3.31Å; R295-E337 PolarHBondContact NH1-O 3.41Å; R295-E337 VanDerWaalsContact NH1-O 3.14Å; R295-E337 IonicContact NH1-OE2 3.6Å; R295-E337 PolarHBondContact NH1-OE2 3.15Å; R295-E337 IonicContact NH2-OE2 3.21Å; R295-Y339 HydrophobicContact CG-CE2 3.53Å
296D95.3Very high95.9Very high93 Ų9355.1 Ų55.150%0.49729%0.288SS..G310 helixtrans-52.5119.8174.9-75.8-14.3000110.7E292 N298 G299E292-D296 PolarHBondContact O-N 3.46Å; D296-N298 PolarHBondContact O-N 2.95Å; D296-G299 WeakPolarHBondContact O-CA 3.19Å; D296-G299 PolarHBondContact O-N 3.39Å
297N95.6Very high95.8Very high127 Ų12759.3 Ų59.368%0.67931%0.306SS*.G310 helixtrans46.846.3-173.3-168.346000112.7R295 G299 T300R295-N297 PolarHBondContact O-N 2.89Å; R295-N297 VanDerWaalsContact O-N 3.16Å; N297-G299 PolarHBondContact O-N 3.14Å; N297-G299 VanDerWaalsContact O-N 3.1Å; N297-T300 WeakPolarHBondContact O-CB 3.39Å; N297-T300 PolarHBondContact O-N 3.06Å; N297-T300 PolarHBondContact O-OG1 2.79Å
298N96Very high95.8Very high62 Ų6257.3 Ų57.333%0.33230%0.295SS..G310 helixtrans55.427.8-177.7-62.9-31.4000113.4R295 D296 T300 S322 P324 W347R295-N298 WeakPolarHBondContact O-CA 3.47Å; R295-N298 PolarHBondContact O-N 3.21Å; D296-N298 PolarHBondContact O-N 2.95Å; N298-T300 PolarHBondContact O-N 3.25Å; N298-S322 PolarHBondContact ND2-O 3.38Å; N298-P324 WeakPolarHBondContact OD1-CD 3.14Å; N298-W347 WeakPolarHBondContact O-CZ2 3.46Å
299G95.4Very high95.8Very high1 Ų157.7 Ų57.71%0.0130%0.298CS..G310 helixtrans68.416.8-177.900000114.1F294 D296 N297 A301 L302 W347F294-G299 WeakPolarHBondContact O-CA 3.17Å; D296-G299 WeakPolarHBondContact O-CA 3.19Å; D296-G299 PolarHBondContact O-N 3.39Å; N297-G299 PolarHBondContact O-N 3.14Å; N297-G299 VanDerWaalsContact O-N 3.1Å; G299-A301 PolarHBondContact O-N 3.16Å; G299-L302 WeakPolarHBondContact O-CA 3.42Å; G299-L302 VanDerWaalsContact O-CB 3.31Å; G299-L302 WeakPolarHBondContact O-CB 3.32Å; G299-L302 PolarHBondContact O-N 3.02Å; G299-W347 WeakPolarHBondContact O-CH2 3.36Å
300T95.6Very high95.8Very high63 Ų6355.8 Ų55.839%0.38730%0.296SS..G310 helixtrans-53.3-36.3-173.6-64.40000113.2N297 N298 L302 L303N297-T300 WeakPolarHBondContact O-CB 3.39Å; N297-T300 PolarHBondContact O-N 3.06Å; N297-T300 PolarHBondContact O-OG1 2.79Å; N298-T300 PolarHBondContact O-N 3.25Å; T300-L302 PolarHBondContact O-N 2.69Å; T300-L302 VanDerWaalsContact O-N 3.17Å; T300-L303 HydrophobicContact CG2-CD1 4.39Å; T300-L303 WeakPolarHBondContact O-CB 3.34Å; T300-L303 PolarHBondContact O-N 3.25Å
301A96.3Very high95.9Very high77 Ų7757.5 Ų57.564%0.63631%0.308SS*.G310 helixtrans-62.9-18.9176.300000113.7G299G299-A301 PolarHBondContact O-N 3.16Å
302L97.4Very high96.2Very high8 Ų855.8 Ų55.84%0.04230%0.3CS..G310 helixtrans-94.2-11.3179.7-57.7175.1000113.2L237 F294 G299 T300 E304 F305 W347L237-L302 HydrophobicContact CD1-CB 4.02Å; L237-L302 HydrophobicContact CD1-CD1 4.33Å; F294-L302 HydrophobicContact CB-CD1 4.47Å; F294-L302 HydrophobicContact CD1-CD1 3.35Å; F294-L302 HydrophobicContact CE1-CD1 3.88Å; F294-L302 HydrophobicContact CG-CD1 4.23Å; G299-L302 WeakPolarHBondContact O-CA 3.42Å; G299-L302 VanDerWaalsContact O-CB 3.31Å; G299-L302 WeakPolarHBondContact O-CB 3.32Å; G299-L302 PolarHBondContact O-N 3.02Å; T300-L302 PolarHBondContact O-N 2.69Å; T300-L302 VanDerWaalsContact O-N 3.17Å; L302-E304 PolarHBondContact O-N 3.08Å; L302-F305 HydrophobicContact CB-CD2 4.34Å; L302-F305 HydrophobicContact CD2-CD2 4.01Å; L302-F305 HydrophobicContact CD2-CE2 3.99Å; L302-F305 WeakPolarHBondContact O-CB 3.33Å; L302-F305 PolarHBondContact O-N 3.07Å; L302-W347 HydrophobicContact CB-CH2 4.29Å; L302-W347 HydrophobicContact CB-CZ3 4.44Å
303L97.2Very high96.2Very high49 Ų4957.3 Ų57.326%0.25731%0.305SS..G310 helixtrans-62.5-25179.9-73.2171.2000112.5T300 F305 D306 I321 W347T300-L303 HydrophobicContact CG2-CD1 4.39Å; T300-L303 WeakPolarHBondContact O-CB 3.34Å; T300-L303 PolarHBondContact O-N 3.25Å; L303-F305 PolarHBondContact O-N 2.77Å; L303-D306 PolarHBondContact O-N 3.49Å; L303-I321 HydrophobicContact CD2-CB 4.34Å; L303-I321 HydrophobicContact CD2-CD1 4.23Å; L303-W347 HydrophobicContact CD2-CD2 4.15Å; L303-W347 HydrophobicContact CD2-CE3 3.84Å; L303-W347 HydrophobicContact CD2-CH2 3.57Å; L303-W347 HydrophobicContact CD2-CZ2 3.87Å; L303-W347 HydrophobicContact CD2-CZ3 3.55Å; L303-W347 HydrophobicContact CG-CH2 3.81Å; L303-W347 HydrophobicContact CG-CZ2 4.27Å; L303-W347 HydrophobicContact CG-CZ3 4.12Å
304E96.8Very high96.2Very high138 Ų13862.9 Ų62.965%0.64533%0.334SS*.G310 helixtrans-62.8-21.9173.268.6172.3115.200113.2L302 K307L302-E304 PolarHBondContact O-N 3.08Å; E304-K307 VanDerWaalsContact O-CE 3.24Å; E304-K307 WeakPolarHBondContact O-CE 3.34Å
305F97.9Very high96.2Very high11 Ų1166.1 Ų66.15%0.04835%0.346CS..G310 helixtrans-91.6-10176.2-49.4-58.5000112.8L237 D238 S241 V242 T245 L302 L303 K307L237-F305 WeakPolarHBondContact CA-O 3.4Å; L237-F305 HydrophobicContact CB-CB 4.11Å; L237-F305 HydrophobicContact CD2-CB 4.49Å; D238-F305 HydrophobicContact CB-CB 4.32Å; D238-F305 PolarHBondContact N-O 3.19Å; S241-F305 VanDerWaalsContact CB-CD1 3.45Å; V242-F305 HydrophobicContact CG2-CB 3.7Å; V242-F305 HydrophobicContact CG2-CD2 3.59Å; V242-F305 HydrophobicContact CG2-CE2 4.4Å; V242-F305 HydrophobicContact CG2-CG 3.69Å; T245-F305 HydrophobicContact CG2-CE2 4.44Å; T245-F305 HydrophobicContact CG2-CZ 4.16Å; T245-F305 WeakPolarHBondContact OG1-CZ 3.3Å; L302-F305 HydrophobicContact CB-CD2 4.34Å; L302-F305 HydrophobicContact CD2-CD2 4.01Å; L302-F305 HydrophobicContact CD2-CE2 3.99Å; L302-F305 WeakPolarHBondContact O-CB 3.33Å; L302-F305 PolarHBondContact O-N 3.07Å; L303-F305 PolarHBondContact O-N 2.77Å; F305-K307 PolarHBondContact O-N 2.77Å; F305-K307 VanDerWaalsContact O-N 3.14Å
306D97.6Very high96.4Very high25 Ų2563.1 Ų63.113%0.13434%0.335CS..  trans-81.884.8171.6-174.98.8000110.5L237 L303 R350L237-D306 HydrophobicContact CD2-CB 3.88Å; L303-D306 PolarHBondContact O-N 3.49Å; D306-R350 IonicContact OD1-NH1 2.8Å; D306-R350 IonicContact OD2-CZ 3.08Å; D306-R350 IonicContact OD2-NH1 3.58Å; D306-R350 PolarHBondContact OD2-NH1 3.38Å; D306-R350 IonicContact OD2-NH2 3.84Å; D306-R350 PolarHBondContact OD2-NH2 2.95Å
307K96.4Very high96.5Very high96 Ų9661.9 Ų61.942%0.41732%0.324SS..  trans-102.5-10.5-169.8-63174.5-173.1166.90113.7D238 E304 F305 L309 S310D238-K307 HydrophobicContact CB-CD 4.36Å; D238-K307 IonicContact OD2-NZ 3.42Å; D238-K307 PolarHBondContact OD2-NZ 2.69Å; E304-K307 VanDerWaalsContact O-CE 3.24Å; E304-K307 WeakPolarHBondContact O-CE 3.34Å; F305-K307 PolarHBondContact O-N 2.77Å; F305-K307 VanDerWaalsContact O-N 3.14Å; K307-L309 PolarHBondContact O-N 2.88Å; K307-S310 VanDerWaalsContact O-CB 3.23Å; K307-S310 WeakPolarHBondContact O-CB 3.38Å; K307-S310 PolarHBondContact O-N 2.81Å; K307-S310 PolarHBondContact O-OG 3.44Å
308E96.9Very high96.6Very high18 Ų1856.7 Ų56.78%0.08430%0.295CS..G310 helixtrans-67.3-35.6-167.3-63.1-155.8-130.700113.4S203 R206 F235 R236 S310S203-E308 WeakPolarHBondContact CA-OE2 3.34Å; S203-E308 WeakPolarHBondContact CB-OE2 3.48Å; S203-E308 WeakPolarHBondContact OG-CG 3.43Å; S203-E308 PolarHBondContact OG-OE2 3.13Å; R206-E308 IonicContact CZ-OE1 3.08Å; R206-E308 VanDerWaalsContact CZ-OE1 3.3Å; R206-E308 IonicContact CZ-OE2 2.68Å; R206-E308 IonicContact NE-OE1 3.8Å; R206-E308 PolarHBondContact NE-OE1 3.16Å; R206-E308 VanDerWaalsContact NE-OE1 3.16Å; R206-E308 IonicContact NE-OE2 2.85Å; R206-E308 PolarHBondContact NE-OE2 2.95Å; R206-E308 IonicContact NH2-OE1 3.87Å; R206-E308 PolarHBondContact NH2-OE1 2.89Å; R206-E308 IonicContact NH2-OE2 3.76Å; R206-E308 PolarHBondContact NH2-OE2 2.99Å; F235-E308 WeakPolarHBondContact CA-OE1 3.46Å; F235-E308 HydrophobicContact CB-CB 4.34Å; F235-E308 HydrophobicContact CD1-CB 3.73Å; F235-E308 HydrophobicContact CD1-CG 4.29Å; F235-E308 HydrophobicContact CD2-CB 4.04Å; F235-E308 HydrophobicContact CE1-CB 3.94Å; F235-E308 HydrophobicContact CE2-CB 4.23Å; F235-E308 HydrophobicContact CG-CB 3.79Å; F235-E308 HydrophobicContact CG-CG 4.41Å; F235-E308 HydrophobicContact CZ-CB 4.18Å; R236-E308 PolarHBondContact N-OE1 3.37Å; E308-S310 PolarHBondContact O-N 3.37Å
309L96.9Very high96.7Very high25 Ų2554.8 Ų54.813%0.13129%0.285CS..G310 helixtrans-65.1-23.8175.8-177.557.8000112.6F235 K307 V311 F312 L316 E318 L352F235-L309 HydrophobicContact CE2-CB 4.23Å; K307-L309 PolarHBondContact O-N 2.88Å; L309-V311 PolarHBondContact O-N 3.25Å; L309-F312 HydrophobicContact CD1-CB 4.46Å; L309-F312 PolarHBondContact O-N 3.2Å; L309-L316 HydrophobicContact CD1-CB 4.11Å; L309-L316 HydrophobicContact CD1-CD1 4.43Å; L309-E318 HydrophobicContact CD2-CB 3.76Å; L309-L352 HydrophobicContact CD1-CD1 3.72Å; L309-L352 HydrophobicContact CD1-CD2 4.2Å; L309-L352 HydrophobicContact CD2-CD2 4Å
310S95.1Very high96.8Very high54 Ų5461.6 Ų61.638%0.37832%0.321SS..G310 helixtrans-60.8-27.5-167.669.90000114.4K307 E308 F312 K313K307-S310 VanDerWaalsContact O-CB 3.23Å; K307-S310 WeakPolarHBondContact O-CB 3.38Å; K307-S310 PolarHBondContact O-N 2.81Å; K307-S310 PolarHBondContact O-OG 3.44Å; E308-S310 PolarHBondContact O-N 3.37Å; S310-F312 PolarHBondContact O-N 3.36Å; S310-K313 WeakPolarHBondContact O-CD 3.27Å; S310-K313 WeakPolarHBondContact O-CG 3.48Å
311V95.2Very high96.8Very high89 Ų8959.5 Ų59.554%0.53931%0.307SS..G310 helixtrans-73.8-14.6179.3-165.90000112.5H207 L309H207-V311 WeakPolarHBondContact CE1-CG1 3.36Å; L309-V311 PolarHBondContact O-N 3.25Å
312F97.1Very high96.8Very high10 Ų1059 Ų594%0.04430%0.299CS..G310 helixtrans-110.411-177.7-61.1-80.5000114.1H207 L210 L214 L309 S310 D314 R315 L316H207-F312 HydrophobicContact CB-CE2 4.48Å; H207-F312 HydrophobicContact CB-CZ 4.45Å; H207-F312 AromaticContact CD2-CE2 3.94Å; H207-F312 AromaticContact CD2-CZ 3.33Å; H207-F312 WeakPolarHBondContact CD2-CZ 3.06Å; L210-F312 HydrophobicContact CB-CE1 4.45Å; L210-F312 HydrophobicContact CB-CE2 4.21Å; L210-F312 HydrophobicContact CB-CZ 3.83Å; L210-F312 HydrophobicContact CD2-CD2 3.82Å; L210-F312 HydrophobicContact CD2-CE1 4.47Å; L210-F312 HydrophobicContact CD2-CE2 3.65Å; L210-F312 HydrophobicContact CD2-CG 4.3Å; L210-F312 HydrophobicContact CD2-CZ 3.97Å; L210-F312 HydrophobicContact CG-CE1 4.19Å; L210-F312 HydrophobicContact CG-CE2 4.11Å; L210-F312 HydrophobicContact CG-CZ 3.89Å; L214-F312 HydrophobicContact CD1-CD1 3.5Å; L214-F312 VanDerWaalsContact CD1-CD1 3.5Å; L214-F312 HydrophobicContact CD1-CE1 3.83Å; L214-F312 HydrophobicContact CD1-CG 4.37Å; L309-F312 HydrophobicContact CD1-CB 4.46Å; L309-F312 PolarHBondContact O-N 3.2Å; S310-F312 PolarHBondContact O-N 3.36Å; F312-D314 PolarHBondContact O-N 3.29Å; F312-R315 PolarHBondContact O-N 3.32Å; F312-L316 HydrophobicContact CB-CB 4.21Å; F312-L316 HydrophobicContact CB-CD1 4.02Å; F312-L316 HydrophobicContact CB-CG 4.39Å; F312-L316 HydrophobicContact CG-CD1 4.38Å; F312-L316 PolarHBondContact O-N 2.81Å
313K94.4Very high96.8Very high153 Ų15358.6 Ų58.667%0.66530%0.297SS*.THydrogen-bonded Turntrans-54.3-26.6-174.6-75.5174.6175.9-176.50114.9S310S310-K313 WeakPolarHBondContact O-CD 3.27Å; S310-K313 WeakPolarHBondContact O-CG 3.48Å
314D94.9Very high96.8Very high154 Ų15456.9 Ų56.982%0.82429%0.288SS*.THydrogen-bonded Turntrans-79.5-18.6177.2-62-32.3000113.5F312F312-D314 PolarHBondContact O-N 3.29Å
315R97.4Very high96.9Very high69 Ų6950.3 Ų50.326%0.2626%0.258SS..THydrogen-bonded Turntrans-113.3-31.2-174.9-61.5177.272.9168.410.2112.6L214 D215 Y227 F312 P355L214-R315 HydrophobicContact CD1-CB 4.26Å; L214-R315 PolarHBondContact O-NH2 3.49Å; L214-R315 VanDerWaalsContact O-NH2 3.16Å; D215-R315 IonicContact OD1-CZ 3.9Å; D215-R315 IonicContact OD1-NH1 3.27Å; D215-R315 PolarHBondContact OD1-NH1 3.24Å; D215-R315 IonicContact OD1-NH2 3.68Å; D215-R315 PolarHBondContact OD1-NH2 3.31Å; Y227-R315 PolarHBondContact OH-O 2.82Å; F312-R315 PolarHBondContact O-N 3.32Å; R315-P355 WeakPolarHBondContact O-CD 3.29Å
316L98.4Very high96.9Very high4 Ų449.8 Ų49.82%0.02126%0.255CS..  trans-130144-173.7-69.9174.5000110.5L210 L214 Y227 V229 L309 F312 L352 M353L210-L316 HydrophobicContact CD1-CD1 4.35Å; L210-L316 HydrophobicContact CD2-CD1 3.96Å; L210-L316 HydrophobicContact CG-CD1 4.38Å; L214-L316 HydrophobicContact CD1-CD1 3.88Å; L214-L316 HydrophobicContact CD1-CG 4.17Å; L214-L316 HydrophobicContact CD2-CD1 4.04Å; L214-L316 HydrophobicContact CD2-CD2 3.92Å; L214-L316 HydrophobicContact CD2-CG 4.06Å; L214-L316 HydrophobicContact CG-CD1 4.46Å; Y227-L316 HydrophobicContact CE2-CD2 3.79Å; V229-L316 HydrophobicContact CG2-CD2 4.39Å; L309-L316 HydrophobicContact CD1-CB 4.11Å; L309-L316 HydrophobicContact CD1-CD1 4.43Å; F312-L316 HydrophobicContact CB-CB 4.21Å; F312-L316 HydrophobicContact CB-CD1 4.02Å; F312-L316 HydrophobicContact CB-CG 4.39Å; F312-L316 HydrophobicContact CG-CD1 4.38Å; F312-L316 PolarHBondContact O-N 2.81Å; L316-L352 HydrophobicContact CD1-CB 4.49Å; L316-L352 HydrophobicContact CD1-CD1 3.88Å; L316-L352 HydrophobicContact CD2-CB 4.1Å; L316-M353 CarbonylContact C-O 3.56Å; L316-M353 WeakPolarHBondContact CA-O 3.28Å
317Y98.4Very high97Very high67 Ų6750 Ų5026%0.26326%0.255SS..BIsolated β-bridgetrans-129.4149.4174178.8-99.4000109.1L319 L352 M353 K358Y317-L319 HydrophobicContact CE1-CD2 3.89Å; Y317-L319 HydrophobicContact CE1-CG 4.38Å; Y317-L352 WeakPolarHBondContact O-CA 3.34Å; Y317-M353 HydrophobicContact CD1-CG 4.2Å; Y317-M353 HydrophobicContact CD1-SD 4.3Å; Y317-M353 PolarHBondContact N-O 3.17Å; Y317-M353 PolarHBondContact O-N 2.94Å; Y317-K358 HydrophobicContact CD1-CB 3.89Å; Y317-K358 HydrophobicContact CD1-CD 3.47Å; Y317-K358 VanDerWaalsContact CD1-CD 3.47Å; Y317-K358 HydrophobicContact CD1-CG 3.58Å; Y317-K358 HydrophobicContact CD2-CD 3.97Å; Y317-K358 HydrophobicContact CE1-CB 4.48Å; Y317-K358 HydrophobicContact CE1-CD 3.58Å; Y317-K358 VanDerWaalsContact CE1-CE 3.47Å; Y317-K358 HydrophobicContact CE1-CG 3.7Å; Y317-K358 HydrophobicContact CE2-CD 4.12Å; Y317-K358 HydrophobicContact CG-CB 4.41Å; Y317-K358 HydrophobicContact CG-CD 3.65Å; Y317-K358 HydrophobicContact CG-CG 4.22Å; Y317-K358 VanDerWaalsContact CZ-NZ 3.3Å
318E98.2Very high97Very high17 Ų1745.4 Ų45.48%0.07924%0.235CC..  trans-130.4144.5172.1-162.3175.2-164.300108.6L309 R350 L352 Y373L309-E318 HydrophobicContact CD2-CB 3.76Å; E318-R350 IonicContact OE1-CZ 3.5Å; E318-R350 IonicContact OE1-NE 3.72Å; E318-R350 PolarHBondContact OE1-NE 2.57Å; E318-R350 IonicContact OE1-NH2 2.76Å; E318-R350 IonicContact OE2-CZ 3.62Å; E318-R350 IonicContact OE2-NE 3.66Å; E318-R350 PolarHBondContact OE2-NE 3.43Å; E318-R350 IonicContact OE2-NH2 2.9Å; E318-R350 PolarHBondContact OE2-NH2 3.22Å; E318-L352 HydrophobicContact CB-CD2 3.71Å; E318-L352 VanDerWaalsContact CD-CD2 3.48Å; E318-L352 HydrophobicContact CG-CD2 3.67Å; E318-Y373 HydrophobicContact CG-CE1 3.83Å; E318-Y373 PolarHBondContact OE1-OH 2.87Å
319L97.3Very high97.1Very high23 Ų2344.8 Ų44.812%0.1223%0.232CC..PPolyproline II helixtrans-71.2158.2169.1-67.7170.7000109.7Y317 I321 M353 V361 L362 V371 Y373 L390Y317-L319 HydrophobicContact CE1-CD2 3.89Å; Y317-L319 HydrophobicContact CE1-CG 4.38Å; L319-I321 PolarHBondContact O-N 3.43Å; L319-M353 HydrophobicContact CD1-CE 4.35Å; L319-M353 HydrophobicContact CG-CE 4.12Å; L319-V361 HydrophobicContact CD1-CG1 4.26Å; L319-L362 HydrophobicContact CD2-CD2 4.27Å; L319-V371 HydrophobicContact CD1-CG1 3.63Å; L319-Y373 HydrophobicContact CB-CD1 3.8Å; L319-Y373 HydrophobicContact CB-CG 4.27Å; L319-L390 HydrophobicContact CD1-CD1 3.5Å
320D96.5Very high97Very high143 Ų14344.3 Ų44.377%0.76523%0.23SC*.PPolyproline II helixtrans-58.5131.6178.6-63-24.6000110.2S322D320-S322 PolarHBondContact O-N 3.33Å
321I97.4Very high96.9Very high20 Ų2044.8 Ų44.810%0.10323%0.226CC..PPolyproline II helixtrans-81120.4-179.9-68.1166.9000108.5L303 L319 F323 W347 Y373L303-I321 HydrophobicContact CD2-CB 4.34Å; L303-I321 HydrophobicContact CD2-CD1 4.23Å; L319-I321 PolarHBondContact O-N 3.43Å; I321-F323 HydrophobicContact CG1-CE1 4.43Å; I321-F323 HydrophobicContact CG1-CZ 4.38Å; I321-F323 HydrophobicContact CG2-CD1 4.03Å; I321-F323 HydrophobicContact CG2-CD2 4.23Å; I321-F323 HydrophobicContact CG2-CE1 3.98Å; I321-F323 HydrophobicContact CG2-CE2 4.17Å; I321-F323 HydrophobicContact CG2-CG 4.17Å; I321-F323 HydrophobicContact CG2-CZ 4.04Å; I321-F323 WeakPolarHBondContact CG2-O 3.33Å; I321-W347 HydrophobicContact CD1-CG 4.34Å; I321-W347 HydrophobicContact CG2-CG 4.44Å; I321-Y373 HydrophobicContact CG1-CE1 3.93Å
322S95.1Very high96.7Very high65 Ų6542.8 Ų42.846%0.45521%0.213SC..  trans-118.224.6178.263.50000112.8N298 D320N298-S322 PolarHBondContact ND2-O 3.38Å; D320-S322 PolarHBondContact O-N 3.33Å
323F97.9Very high96.3Very high1 Ų144.2 Ų44.20%0.00423%0.227CC..SBendtrans-133.7151.4-179.854.7-90.7000110.1I321 W347 Y373 D374 H375 V388I321-F323 HydrophobicContact CG1-CE1 4.43Å; I321-F323 HydrophobicContact CG1-CZ 4.38Å; I321-F323 HydrophobicContact CG2-CD1 4.03Å; I321-F323 HydrophobicContact CG2-CD2 4.23Å; I321-F323 HydrophobicContact CG2-CE1 3.98Å; I321-F323 HydrophobicContact CG2-CE2 4.17Å; I321-F323 HydrophobicContact CG2-CG 4.17Å; I321-F323 HydrophobicContact CG2-CZ 4.04Å; I321-F323 WeakPolarHBondContact CG2-O 3.33Å; F323-W347 AromaticContact CD2-CD1 3.94Å; F323-W347 AromaticContact CE2-CD1 3.67Å; F323-W347 PolarHBondContact O-NE1 3.26Å; F323-Y373 HydrophobicContact CE1-CD1 4.01Å; F323-Y373 HydrophobicContact CE1-CD2 4.34Å; F323-Y373 AromaticContact CE1-CE1 3.91Å; F323-Y373 HydrophobicContact CE1-CE1 3.91Å; F323-Y373 HydrophobicContact CE1-CE2 4.2Å; F323-Y373 HydrophobicContact CE1-CG 4.24Å; F323-Y373 HydrophobicContact CZ-CE1 4.19Å; F323-Y373 HydrophobicContact CZ-CE2 4.3Å; F323-Y373 AromaticContact CZ-CZ 3.95Å; F323-D374 WeakPolarHBondContact CB-OD1 3.34Å; F323-H375 HydrophobicContact CB-CB 4.32Å; F323-H375 HydrophobicContact CD2-CB 3.99Å; F323-H375 HydrophobicContact CG-CB 4.21Å; F323-V388 HydrophobicContact CD2-CG2 4.46Å; F323-V388 HydrophobicContact CE1-CG1 4.27Å; F323-V388 HydrophobicContact CE2-CG1 4.23Å; F323-V388 HydrophobicContact CE2-CG2 3.68Å; F323-V388 HydrophobicContact CZ-CG1 3.66Å; F323-V388 HydrophobicContact CZ-CG2 4Å
324P97.9Very high96Very high12 Ų1247 Ų478%0.07823%0.233CC..  trans-69.4166.5-178.431.9-38.4000111.7R295 N298 S326 W347 H375R295-P324 HydrophobicContact CB-CB 4.48Å; R295-P324 HydrophobicContact CG-CB 4.32Å; N298-P324 WeakPolarHBondContact OD1-CD 3.14Å; P324-S326 PolarHBondContact O-N 3.23Å; P324-W347 PolarHBondContact O-NE1 2.91Å; P324-H375 WeakPolarHBondContact CD-CE1 3.47Å; P324-H375 WeakPolarHBondContact CG-CE1 3.43Å
325P98.5Very high95.9Very high0 Ų042.9 Ų42.90%021%0.208CC..  trans-44.9134.4175.8-31.437.3000113.1F294 Y329 Y339 P345 A346 W347F294-P325 WeakPolarHBondContact O-CD 3.48Å; P325-Y329 WeakPolarHBondContact O-CE2 3.33Å; P325-Y329 PolarHBondContact O-OH 2.81Å; P325-Y339 WeakPolarHBondContact CB-OH 3.45Å; P325-Y339 WeakPolarHBondContact CD-OH 3.15Å; P325-Y339 PolarHBondContact O-OH 3.13Å; P325-P345 HydrophobicContact CB-CB 3.84Å; P325-P345 HydrophobicContact CG-CB 4.16Å; P325-A346 WeakPolarHBondContact CB-O 3.43Å; P325-W347 HydrophobicContact CG-CD2 4.27Å; P325-W347 HydrophobicContact CG-CH2 4.09Å; P325-W347 HydrophobicContact CG-CZ2 3.84Å; P325-W347 HydrophobicContact CG-CZ3 4.43Å
326S98.5Very high95.6Very high0 Ų040 Ų400%020%0.2CC..  trans-82-11.9-173.266.70000113.8P324 Y329 A346 C348 D349 H385 K386P324-S326 PolarHBondContact O-N 3.23Å; S326-Y329 WeakPolarHBondContact O-CD2 3.32Å; S326-Y329 WeakPolarHBondContact O-CE2 3.21Å; S326-A346 PolarHBondContact N-O 2.97Å; S326-A346 VanDerWaalsContact N-O 3.12Å; S326-C348 PolarHBondContact OG-N 3.2Å; S326-D349 WeakPolarHBondContact CB-OD2 3.18Å; S326-D349 PolarHBondContact OG-N 3.26Å; S326-D349 PolarHBondContact OG-OD2 3.07Å; S326-H385 CarbonylContact O-C 3.56Å; S326-H385 VanDerWaalsContact O-CA 3.31Å; S326-H385 WeakPolarHBondContact O-CA 3.44Å; S326-K386 PolarHBondContact O-N 2.95Å
327Y98.4Very high95.4Very high30 Ų3043.6 Ų43.612%0.11822%0.217CC..BIsolated β-bridgetrans-150.2149.5-174.4170-96.6000110.3R343 P345 A346 D384 H385Y327-R343 HydrophobicContact CE1-CB 3.85Å; Y327-R343 HydrophobicContact CE1-CG 3.84Å; Y327-P345 CarbonylContact O-C 3.51Å; Y327-P345 WeakPolarHBondContact O-CA 3.34Å; Y327-A346 PolarHBondContact N-O 3.43Å; Y327-A346 PolarHBondContact O-N 2.71Å; Y327-D384 WeakPolarHBondContact CD2-O 3.44Å; Y327-H385 AromaticContact CD2-CD2 3.44Å; Y327-H385 VanDerWaalsContact CD2-CD2 3.44Å; Y327-H385 WeakPolarHBondContact CD2-CD2 2.96Å; Y327-H385 AromaticContact CD2-CE1 3.48Å; Y327-H385 VanDerWaalsContact CD2-CE1 3.48Å; Y327-H385 WeakPolarHBondContact CD2-CE1 3.29Å; Y327-H385 AromaticContact CD2-CG 3.94Å; Y327-H385 AromaticContact CD2-ND1 3.95Å; Y327-H385 AromaticContact CD2-NE2 3.1Å; Y327-H385 WeakPolarHBondContact CD2-NE2 3.21Å; Y327-H385 AromaticContact CE2-CD2 4Å; Y327-H385 AromaticContact CE2-NE2 3.49Å; Y327-H385 WeakPolarHBondContact CE2-NE2 3.19Å; Y327-H385 AromaticContact CG-CE1 3.77Å; Y327-H385 AromaticContact CG-NE2 3.88Å
328P97.7Very high95.2Very high0 Ų044.8 Ų44.80%023%0.225CC..  cis-103.9101.8-0.535.5-30.3000113.3Y339 M340 R343 D384P328-Y339 CarbonylContact O-C 3.42Å; P328-Y339 VanDerWaalsContact O-CA 3.28Å; P328-Y339 WeakPolarHBondContact O-CA 3.28Å; P328-M340 HydrophobicContact CB-CB 4.43Å; P328-M340 HydrophobicContact CB-CE 4.3Å; P328-M340 HydrophobicContact CG-CB 4.49Å; P328-M340 PolarHBondContact O-N 2.56Å; P328-R343 HydrophobicContact CG-CB 4.17Å; P328-D384 CarbonylContact C-O 3.45Å; P328-D384 WeakPolarHBondContact CA-O 3.33Å
329Y97.3Very high95.2Very high5 Ų544.5 Ų44.52%0.0222%0.223CC..BIsolated β-bridgetrans-70.9157.5179.2-74.5-85.4000113P325 S326 Q338 Y339 M340 D384 K386P325-Y329 WeakPolarHBondContact O-CE2 3.33Å; P325-Y329 PolarHBondContact O-OH 2.81Å; S326-Y329 WeakPolarHBondContact O-CD2 3.32Å; S326-Y329 WeakPolarHBondContact O-CE2 3.21Å; Y329-Q338 CarbonylContact C-O 3.59Å; Y329-Q338 WeakPolarHBondContact CA-O 3.39Å; Y329-Y339 HydrophobicContact CD1-CD1 4.02Å; Y329-Y339 AromaticContact CD1-CE1 3.92Å; Y329-Y339 HydrophobicContact CD1-CE1 3.92Å; Y329-Y339 HydrophobicContact CD2-CD1 4.33Å; Y329-Y339 AromaticContact CD2-CE1 3.93Å; Y329-Y339 HydrophobicContact CD2-CE1 3.93Å; Y329-Y339 HydrophobicContact CE1-CD1 4.07Å; Y329-Y339 AromaticContact CE1-CE1 3.55Å; Y329-Y339 HydrophobicContact CE1-CE1 3.55Å; Y329-Y339 AromaticContact CE1-CZ 3.94Å; Y329-Y339 HydrophobicContact CE2-CD1 4.38Å; Y329-Y339 AromaticContact CE2-CE1 3.56Å; Y329-Y339 HydrophobicContact CE2-CE1 3.56Å; Y329-Y339 HydrophobicContact CG-CD1 4.15Å; Y329-Y339 HydrophobicContact CG-CE1 4.11Å; Y329-Y339 AromaticContact CZ-CE1 3.35Å; Y329-Y339 AromaticContact CZ-CZ 3.72Å; Y329-Y339 PolarHBondContact OH-OH 3.15Å; Y329-Y339 VanDerWaalsContact OH-OH 3.08Å; Y329-M340 WeakPolarHBondContact O-CE 3.2Å; Y329-M340 WeakPolarHBondContact O-CG 3.18Å; Y329-D384 PolarHBondContact N-O 3.3Å; Y329-D384 WeakPolarHBondContact O-CA 3.45Å; Y329-K386 HydrophobicContact CD2-CB 4.44Å; Y329-K386 HydrophobicContact CD2-CD 4.04Å; Y329-K386 HydrophobicContact CD2-CG 3.71Å; Y329-K386 HydrophobicContact CE1-CD 4.15Å; Y329-K386 HydrophobicContact CE2-CB 4.18Å; Y329-K386 HydrophobicContact CE2-CD 3.51Å; Y329-K386 HydrophobicContact CE2-CG 3.61Å; Y329-K386 HydrophobicContact CG-CG 4.34Å
330S95.1Very high95.2Very high14 Ų1445.5 Ų45.510%0.09823%0.228CC..  trans-62.8138.5169.5-175.10000110.7D332 Q335 Q338 C381S330-D332 VanDerWaalsContact C-N 3.31Å; S330-D332 PolarHBondContact OG-N 3.06Å; S330-Q335 PolarHBondContact OG-OE1 3.19Å; S330-Q338 PolarHBondContact N-O 3.24Å; S330-C381 PolarHBondContact O-SG 3.5Å
331E93.1Very high95.2Very high64 Ų6441.2 Ų41.230%0.29921%0.205SC..  trans-87-0.1173.1-63176.1109.500112S21 K59 A333 M340 D384S21-E331 WeakPolarHBondContact CB-OE1 3.39Å; S21-E331 PolarHBondContact OG-OE1 2.89Å; K59-E331 IonicContact NZ-OE1 2.69Å; K59-E331 PolarHBondContact NZ-OE1 3.48Å; K59-E331 IonicContact NZ-OE2 3.3Å; K59-E331 PolarHBondContact NZ-OE2 2.79Å; E331-A333 PolarHBondContact O-N 3.11Å; E331-M340 HydrophobicContact CG-CE 4.45Å; E331-D384 HydrophobicContact CG-CB 4Å
332D91.6Very high95.2Very high48 Ų4842.5 Ų42.526%0.25721%0.214SC..  trans-73.4119170.7-175.1-24.6000109.7S330 R334 Q335 C381S330-D332 VanDerWaalsContact C-N 3.31Å; S330-D332 PolarHBondContact OG-N 3.06Å; D332-R334 PolarHBondContact O-N 3.43Å; D332-R334 WeakPolarHBondContact OD1-CB 3.35Å; D332-R334 IonicContact OD1-CZ 3.57Å; D332-R334 PolarHBondContact OD1-N 2.68Å; D332-R334 IonicContact OD1-NE 3.52Å; D332-R334 PolarHBondContact OD1-NE 2.85Å; D332-R334 IonicContact OD1-NH2 2.89Å; D332-R334 IonicContact OD2-CZ 3.05Å; D332-R334 IonicContact OD2-NE 2.74Å; D332-R334 PolarHBondContact OD2-NE 3.08Å; D332-R334 IonicContact OD2-NH2 3.44Å; D332-R334 PolarHBondContact OD2-NH2 2.93Å; D332-Q335 HydrophobicContact CB-CB 4.19Å; D332-Q335 HydrophobicContact CB-CG 4.09Å; D332-Q335 PolarHBondContact O-N 2.74Å; D332-C381 PolarHBondContact O-SG 2.73Å
333A87.8Confident95.3Very high40 Ų4040.2 Ų40.233%0.33120%0.195SC..THydrogen-bonded Turntrans-55-19.2-179.600000114.5N28 E331N28-A333 HydrophobicContact CB-CB 4.16Å; E331-A333 PolarHBondContact O-N 3.11Å
334R89.6Confident95.3Very high212 Ų21240.7 Ų40.780%0.820%0.199SC*.THydrogen-bonded Turntrans-89-7.3177.3-58.6168.8-64.9-179.25.1113.5D332D332-R334 PolarHBondContact O-N 3.43Å; D332-R334 WeakPolarHBondContact OD1-CB 3.35Å; D332-R334 IonicContact OD1-CZ 3.57Å; D332-R334 PolarHBondContact OD1-N 2.68Å; D332-R334 IonicContact OD1-NE 3.52Å; D332-R334 PolarHBondContact OD1-NE 2.85Å; D332-R334 IonicContact OD1-NH2 2.89Å; D332-R334 IonicContact OD2-CZ 3.05Å; D332-R334 IonicContact OD2-NE 2.74Å; D332-R334 PolarHBondContact OD2-NE 3.08Å; D332-R334 IonicContact OD2-NH2 3.44Å; D332-R334 PolarHBondContact OD2-NH2 2.93Å
335Q91.8Very high95.3Very high66 Ų6640.3 Ų40.331%0.30820%0.196SC..  trans-122.351.7-172-62-177.9-16.700111.7S330 D332 E337 Q338S330-Q335 PolarHBondContact OG-OE1 3.19Å; D332-Q335 HydrophobicContact CB-CB 4.19Å; D332-Q335 HydrophobicContact CB-CG 4.09Å; D332-Q335 PolarHBondContact O-N 2.74Å; Q335-E337 PolarHBondContact O-N 3.36Å; Q335-Q338 HydrophobicContact CB-CB 4.22Å; Q335-Q338 HydrophobicContact CB-CG 4.21Å; Q335-Q338 PolarHBondContact O-N 3.13Å
336G91.4Very high95.3Very high9 Ų940.4 Ų40.49%0.09320%0.197CC..THydrogen-bonded Turntrans-63.4-4.7-174.800000116.5C381 K386G336-C381 VanDerWaalsContact CA-N 3.33Å; G336-K386 PolarHBondContact O-NZ 2.87Å
337E94Very high95.3Very high79 Ų7940.4 Ų40.437%0.36920%0.197SC..THydrogen-bonded Turntrans-121.3-13.1-171.5-92.9-171.6-131.100113.4R295 Q335 N379R295-E337 WeakPolarHBondContact CD-O 3.5Å; R295-E337 IonicContact CZ-OE2 3.57Å; R295-E337 PolarHBondContact NE-O 3.01Å; R295-E337 VanDerWaalsContact NH1-CG 3.31Å; R295-E337 PolarHBondContact NH1-O 3.41Å; R295-E337 VanDerWaalsContact NH1-O 3.14Å; R295-E337 IonicContact NH1-OE2 3.6Å; R295-E337 PolarHBondContact NH1-OE2 3.15Å; R295-E337 IonicContact NH2-OE2 3.21Å; Q335-E337 PolarHBondContact O-N 3.36Å; E337-N379 PolarHBondContact OE1-OD1 2.92Å
338Q95.3Very high95.3Very high93 Ų9339 Ų3944%0.43519%0.191SC..PPolyproline II helixtrans-90.3145.5-173.2-62.5-173.1-6.900111.2Y329 S330 Q335Y329-Q338 CarbonylContact C-O 3.59Å; Y329-Q338 WeakPolarHBondContact CA-O 3.39Å; S330-Q338 PolarHBondContact N-O 3.24Å; Q335-Q338 HydrophobicContact CB-CB 4.22Å; Q335-Q338 HydrophobicContact CB-CG 4.21Å; Q335-Q338 PolarHBondContact O-N 3.13Å
339Y97.4Very high95.3Very high10 Ų1039 Ų394%0.03919%0.191CC..BIsolated β-bridgetrans-91.3146.5170.3-64.6-65000110.9Q291 F294 R295 P325 P328 Y329 P345Q291-Y339 PolarHBondContact NE2-O 3.4Å; Q291-Y339 VanDerWaalsContact OE1-N 3.16Å; Q291-Y339 PolarHBondContact OE1-O 2.88Å; F294-Y339 HydrophobicContact CB-CD2 4.24Å; F294-Y339 HydrophobicContact CB-CE2 3.7Å; R295-Y339 HydrophobicContact CG-CE2 3.53Å; P325-Y339 WeakPolarHBondContact CB-OH 3.45Å; P325-Y339 WeakPolarHBondContact CD-OH 3.15Å; P325-Y339 PolarHBondContact O-OH 3.13Å; P328-Y339 CarbonylContact O-C 3.42Å; P328-Y339 VanDerWaalsContact O-CA 3.28Å; P328-Y339 WeakPolarHBondContact O-CA 3.28Å; Y329-Y339 HydrophobicContact CD1-CD1 4.02Å; Y329-Y339 AromaticContact CD1-CE1 3.92Å; Y329-Y339 HydrophobicContact CD1-CE1 3.92Å; Y329-Y339 HydrophobicContact CD2-CD1 4.33Å; Y329-Y339 AromaticContact CD2-CE1 3.93Å; Y329-Y339 HydrophobicContact CD2-CE1 3.93Å; Y329-Y339 HydrophobicContact CE1-CD1 4.07Å; Y329-Y339 AromaticContact CE1-CE1 3.55Å; Y329-Y339 HydrophobicContact CE1-CE1 3.55Å; Y329-Y339 AromaticContact CE1-CZ 3.94Å; Y329-Y339 HydrophobicContact CE2-CD1 4.38Å; Y329-Y339 AromaticContact CE2-CE1 3.56Å; Y329-Y339 HydrophobicContact CE2-CE1 3.56Å; Y329-Y339 HydrophobicContact CG-CD1 4.15Å; Y329-Y339 HydrophobicContact CG-CE1 4.11Å; Y329-Y339 AromaticContact CZ-CE1 3.35Å; Y329-Y339 AromaticContact CZ-CZ 3.72Å; Y329-Y339 PolarHBondContact OH-OH 3.15Å; Y329-Y339 VanDerWaalsContact OH-OH 3.08Å; Y339-P345 HydrophobicContact CD1-CB 4.28Å; Y339-P345 HydrophobicContact CD1-CG 4.16Å; Y339-P345 HydrophobicContact CD2-CB 4.13Å; Y339-P345 HydrophobicContact CD2-CG 3.63Å; Y339-P345 HydrophobicContact CE1-CB 4.14Å; Y339-P345 HydrophobicContact CE1-CG 4.48Å; Y339-P345 HydrophobicContact CE2-CB 3.98Å; Y339-P345 HydrophobicContact CE2-CG 3.97Å; Y339-P345 HydrophobicContact CG-CB 4.29Å; Y339-P345 HydrophobicContact CG-CG 3.73Å
340M96.7Very high95.4Very high44 Ų4439 Ų3922%0.21719%0.191CC..PPolyproline II helixtrans-72.6149.7164.1-68.3-167.6-82.200110.7P328 Y329 E331 T342 D384P328-M340 HydrophobicContact CB-CB 4.43Å; P328-M340 HydrophobicContact CB-CE 4.3Å; P328-M340 HydrophobicContact CG-CB 4.49Å; P328-M340 PolarHBondContact O-N 2.56Å; Y329-M340 WeakPolarHBondContact O-CE 3.2Å; Y329-M340 WeakPolarHBondContact O-CG 3.18Å; E331-M340 HydrophobicContact CG-CE 4.45Å; M340-T342 HydrophobicContact CB-CG2 4.18Å; M340-T342 PolarHBondContact O-N 3.5Å; M340-T342 VanDerWaalsContact O-N 3.07Å; M340-T342 HydrophobicContact SD-CG2 4.37Å; M340-D384 HydrophobicContact CE-CB 3.41Å; M340-D384 VanDerWaalsContact CE-CB 3.41Å
341N97.1Very high95.6Very high53 Ų5338.4 Ų38.428%0.28319%0.187SC..THydrogen-bonded Turntrans-79.321.1174.8-72.9-20.8000113.4L285 F286 D287 Q291L285-N341 CarbonylContact C-O 3.56Å; L285-N341 WeakPolarHBondContact CA-O 3.08Å; L285-N341 HydrophobicContact CD1-CB 3.98Å; F286-N341 CarbonylContact C-O 3.55Å; F286-N341 PolarHBondContact N-O 2.91Å; F286-N341 CarbonylContact O-C 3.33Å; F286-N341 VanDerWaalsContact O-CA 3.24Å; F286-N341 WeakPolarHBondContact O-CA 3.48Å; F286-N341 WeakPolarHBondContact O-CB 3.18Å; D287-N341 HydrophobicContact CB-CB 4.2Å; D287-N341 VanDerWaalsContact CG-ND2 3.34Å; D287-N341 PolarHBondContact OD1-ND2 3.03Å; Q291-N341 PolarHBondContact NE2-OD1 2.82Å
342T96.6Very high95.9Very high47 Ų4735.3 Ų35.329%0.28817%0.173SC..THydrogen-bonded Turntrans-81.4-34.1-17454.60000112.2N191 K284 M340N191-T342 PolarHBondContact ND2-O 2.9Å; N191-T342 VanDerWaalsContact ND2-O 3.15Å; K284-T342 CarbonylContact C-O 3.54Å; K284-T342 WeakPolarHBondContact O-CA 3.23Å; K284-T342 VanDerWaalsContact O-O 3.1Å; M340-T342 HydrophobicContact CB-CG2 4.18Å; M340-T342 PolarHBondContact O-N 3.5Å; M340-T342 VanDerWaalsContact O-N 3.07Å; M340-T342 HydrophobicContact SD-CG2 4.37Å
343R97.3Very high96.2Very high18 Ų1833.1 Ų33.17%0.06816%0.161CC..SBendtrans-147.4157.4-176.5-64.7-62.9-175.2-89.19.7109.9D188 N191 K284 Y327 P328D188-R343 PolarHBondContact O-NE 3.06Å; D188-R343 PolarHBondContact O-NH2 2.77Å; N191-R343 WeakPolarHBondContact OD1-CD 2.98Å; K284-R343 VanDerWaalsContact CA-NH1 3.32Å; Y327-R343 HydrophobicContact CE1-CB 3.85Å; Y327-R343 HydrophobicContact CE1-CG 3.84Å; P328-R343 HydrophobicContact CG-CB 4.17Å
344C97.4Very high96.7Very high11 Ų1131.3 Ų31.37%0.07415%0.146CC..  trans-60.3130.5165.8-176.70000109F286 A346F286-C344 HydrophobicContact CD1-CB 4.17Å; F286-C344 HydrophobicContact CD2-CB 3.75Å; F286-C344 HydrophobicContact CE1-CB 4.11Å; F286-C344 HydrophobicContact CE2-CB 3.68Å; F286-C344 HydrophobicContact CG-CB 4.02Å; F286-C344 HydrophobicContact CZ-CB 3.88Å; C344-A346 PolarHBondContact O-N 3.41Å
345P98.3Very high97Very high3 Ų324.2 Ų24.22%0.01913%0.127CC..  trans-55.2135.2174.9-28.436.6000112.5L237 F294 P325 Y327 Y339L237-P345 WeakPolarHBondContact CD1-O 3.39Å; F294-P345 HydrophobicContact CB-CB 3.95Å; F294-P345 HydrophobicContact CB-CG 4.02Å; F294-P345 HydrophobicContact CD1-CB 3.79Å; F294-P345 HydrophobicContact CD1-CG 3.84Å; F294-P345 HydrophobicContact CD2-CB 4.49Å; F294-P345 HydrophobicContact CD2-CG 3.75Å; F294-P345 HydrophobicContact CE1-CB 4.47Å; F294-P345 HydrophobicContact CE1-CG 4.27Å; F294-P345 HydrophobicContact CE2-CG 4.17Å; F294-P345 HydrophobicContact CG-CB 3.83Å; F294-P345 HydrophobicContact CG-CG 3.59Å; F294-P345 HydrophobicContact CZ-CG 4.43Å; P325-P345 HydrophobicContact CB-CB 3.84Å; P325-P345 HydrophobicContact CG-CB 4.16Å; Y327-P345 CarbonylContact O-C 3.51Å; Y327-P345 WeakPolarHBondContact O-CA 3.34Å; Y339-P345 HydrophobicContact CD1-CB 4.28Å; Y339-P345 HydrophobicContact CD1-CG 4.16Å; Y339-P345 HydrophobicContact CD2-CB 4.13Å; Y339-P345 HydrophobicContact CD2-CG 3.63Å; Y339-P345 HydrophobicContact CE1-CB 4.14Å; Y339-P345 HydrophobicContact CE1-CG 4.48Å; Y339-P345 HydrophobicContact CE2-CB 3.98Å; Y339-P345 HydrophobicContact CE2-CG 3.97Å; Y339-P345 HydrophobicContact CG-CB 4.29Å; Y339-P345 HydrophobicContact CG-CG 3.73Å
346A98.2Very high97.1Very high2 Ų223.5 Ų23.52%0.01713%0.13CC..BIsolated β-bridgetrans-150.1162.217900000112.7F235 L237 P325 S326 Y327 C344 C348F235-A346 WeakPolarHBondContact O-CB 3.37Å; L237-A346 HydrophobicContact CG-CB 4.31Å; P325-A346 WeakPolarHBondContact CB-O 3.43Å; S326-A346 PolarHBondContact N-O 2.97Å; S326-A346 VanDerWaalsContact N-O 3.12Å; Y327-A346 PolarHBondContact N-O 3.43Å; Y327-A346 PolarHBondContact O-N 2.71Å; C344-A346 PolarHBondContact O-N 3.41Å; A346-C348 PolarHBondContact O-N 2.89Å
347W98.6Very high97.3Very high1 Ų123.1 Ų23.10%0.00413%0.125CC..  trans-8481.1170.9-62.5-88.6000110.2L237 N298 G299 L302 L303 I321 F323 P324 P325 R350L237-W347 HydrophobicContact CD2-CE3 3.98Å; L237-W347 HydrophobicContact CD2-CZ3 3.75Å; N298-W347 WeakPolarHBondContact O-CZ2 3.46Å; G299-W347 WeakPolarHBondContact O-CH2 3.36Å; L302-W347 HydrophobicContact CB-CH2 4.29Å; L302-W347 HydrophobicContact CB-CZ3 4.44Å; L303-W347 HydrophobicContact CD2-CD2 4.15Å; L303-W347 HydrophobicContact CD2-CE3 3.84Å; L303-W347 HydrophobicContact CD2-CH2 3.57Å; L303-W347 HydrophobicContact CD2-CZ2 3.87Å; L303-W347 HydrophobicContact CD2-CZ3 3.55Å; L303-W347 HydrophobicContact CG-CH2 3.81Å; L303-W347 HydrophobicContact CG-CZ2 4.27Å; L303-W347 HydrophobicContact CG-CZ3 4.12Å; I321-W347 HydrophobicContact CD1-CG 4.34Å; I321-W347 HydrophobicContact CG2-CG 4.44Å; F323-W347 AromaticContact CD2-CD1 3.94Å; F323-W347 AromaticContact CE2-CD1 3.67Å; F323-W347 PolarHBondContact O-NE1 3.26Å; P324-W347 PolarHBondContact O-NE1 2.91Å; P325-W347 HydrophobicContact CG-CD2 4.27Å; P325-W347 HydrophobicContact CG-CH2 4.09Å; P325-W347 HydrophobicContact CG-CZ2 3.84Å; P325-W347 HydrophobicContact CG-CZ3 4.43Å; W347-R350 VanDerWaalsContact O-CD 3.32Å; W347-R350 WeakPolarHBondContact O-CD 3.3Å; W347-R350 PolarHBondContact O-NH1 2.77Å
348C98.7Very high97.4Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-75-37.8178.2-68.90000112F233 N234 S326 A346F233-C348 WeakPolarHBondContact CB-O 3.49Å; F233-C348 PolarHBondContact N-O 3.4Å; N234-C348 PolarHBondContact N-O 2.72Å; S326-C348 PolarHBondContact OG-N 3.2Å; A346-C348 PolarHBondContact O-N 2.89Å
349D98.8Very high97.2Very high0 Ų022.7 Ų22.70%012%0.122CC..EExtended strand (participates in β ladder)trans-95117.6-173.1-55.3-87.5000109.9T16 G231 S326 H385 V388T16-D349 HydrophobicContact CG2-CB 4.08Å; G231-D349 WeakPolarHBondContact O-CA 3.29Å; S326-D349 WeakPolarHBondContact CB-OD2 3.18Å; S326-D349 PolarHBondContact OG-N 3.26Å; S326-D349 PolarHBondContact OG-OD2 3.07Å; D349-H385 IonicContact OD1-ND1 3.27Å; D349-H385 PolarHBondContact OD1-ND1 3.29Å; D349-H385 IonicContact OD2-CE1 2.88Å; D349-H385 IonicContact OD2-CG 3.21Å; D349-H385 IonicContact OD2-ND1 2.67Å; D349-H385 PolarHBondContact OD2-ND1 3.48Å; D349-V388 HydrophobicContact CB-CB 4.28Å; D349-V388 HydrophobicContact CB-CG2 3.85Å; D349-V388 WeakPolarHBondContact O-CG2 3.18Å
350R98.8Very high96.9Very high5 Ų522.6 Ų22.62%0.01912%0.122CC..EExtended strand (participates in β ladder)trans-138.4154.6-167.9-47.8-66.3-85.7-900.8112.5F230 G231 F233 D306 E318 W347 L352F230-R350 WeakPolarHBondContact CA-O 3.43Å; F230-R350 VanDerWaalsContact CB-O 3.26Å; F230-R350 WeakPolarHBondContact CB-O 3.12Å; G231-R350 PolarHBondContact N-O 3.42Å; G231-R350 PolarHBondContact O-N 3.15Å; G231-R350 VanDerWaalsContact O-N 3.07Å; F233-R350 HydrophobicContact CB-CG 4.43Å; F233-R350 HydrophobicContact CD2-CB 3.62Å; F233-R350 HydrophobicContact CD2-CG 4.01Å; F233-R350 HydrophobicContact CE2-CB 3.86Å; F233-R350 HydrophobicContact CG-CB 4.41Å; F233-R350 HydrophobicContact CG-CG 4.42Å; D306-R350 IonicContact OD1-NH1 2.8Å; D306-R350 IonicContact OD2-CZ 3.08Å; D306-R350 IonicContact OD2-NH1 3.58Å; D306-R350 PolarHBondContact OD2-NH1 3.38Å; D306-R350 IonicContact OD2-NH2 3.84Å; D306-R350 PolarHBondContact OD2-NH2 2.95Å; E318-R350 IonicContact OE1-CZ 3.5Å; E318-R350 IonicContact OE1-NE 3.72Å; E318-R350 PolarHBondContact OE1-NE 2.57Å; E318-R350 IonicContact OE1-NH2 2.76Å; E318-R350 IonicContact OE2-CZ 3.62Å; E318-R350 IonicContact OE2-NE 3.66Å; E318-R350 PolarHBondContact OE2-NE 3.43Å; E318-R350 IonicContact OE2-NH2 2.9Å; E318-R350 PolarHBondContact OE2-NH2 3.22Å; W347-R350 VanDerWaalsContact O-CD 3.32Å; W347-R350 WeakPolarHBondContact O-CD 3.3Å; W347-R350 PolarHBondContact O-NH1 2.77Å; R350-L352 HydrophobicContact CB-CD2 4.14Å; R350-L352 HydrophobicContact CB-CG 4.33Å
351I98.9Very high96.7Very high1 Ų120.5 Ų20.51%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-121.7100169.6-56.2173.3000109.2L14 T16 F230 Y373 V388 F389 L390L14-I351 HydrophobicContact CB-CD1 4.26Å; L14-I351 HydrophobicContact CD1-CG2 4.28Å; L14-I351 WeakPolarHBondContact O-CD1 3.45Å; T16-I351 HydrophobicContact CG2-CG1 4.35Å; F230-I351 HydrophobicContact CB-CB 4.05Å; F230-I351 HydrophobicContact CB-CG1 3.68Å; F230-I351 HydrophobicContact CB-CG2 4.09Å; F230-I351 HydrophobicContact CG-CG1 4.37Å; I351-Y373 HydrophobicContact CB-CE2 3.83Å; I351-Y373 HydrophobicContact CD1-CE2 4.12Å; I351-Y373 HydrophobicContact CG1-CE2 4.08Å; I351-Y373 PolarHBondContact N-OH 3.08Å; I351-V388 HydrophobicContact CD1-CG1 4.37Å; I351-V388 HydrophobicContact CG1-CG1 4.42Å; I351-F389 VanDerWaalsContact CD1-C 3.42Å; I351-L390 HydrophobicContact CB-CB 4.42Å; I351-L390 HydrophobicContact CD1-CB 3.54Å; I351-L390 HydrophobicContact CG2-CB 4.05Å; I351-L390 HydrophobicContact CG2-CD2 3.85Å
352L98.8Very high96.2Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-100.6152.6178.9-48.3-176.3000110.1F228 V229 F233 F235 L309 L316 Y317 E318 R350F228-L352 CarbonylContact C-O 3.54Å; F228-L352 WeakPolarHBondContact CA-O 3.43Å; V229-L352 PolarHBondContact N-O 3.3Å; V229-L352 PolarHBondContact O-N 3.24Å; F233-L352 HydrophobicContact CD1-CD1 4.09Å; F233-L352 HydrophobicContact CE1-CD1 3.37Å; F233-L352 HydrophobicContact CE1-CG 4.18Å; F233-L352 HydrophobicContact CE2-CD1 4.18Å; F233-L352 HydrophobicContact CE2-CG 4.12Å; F233-L352 HydrophobicContact CZ-CB 4.33Å; F233-L352 HydrophobicContact CZ-CD1 3.41Å; F233-L352 VanDerWaalsContact CZ-CD1 3.41Å; F233-L352 HydrophobicContact CZ-CG 3.69Å; F235-L352 HydrophobicContact CE2-CD1 4.5Å; L309-L352 HydrophobicContact CD1-CD1 3.72Å; L309-L352 HydrophobicContact CD1-CD2 4.2Å; L309-L352 HydrophobicContact CD2-CD2 4Å; L316-L352 HydrophobicContact CD1-CB 4.49Å; L316-L352 HydrophobicContact CD1-CD1 3.88Å; L316-L352 HydrophobicContact CD2-CB 4.1Å; Y317-L352 WeakPolarHBondContact O-CA 3.34Å; E318-L352 HydrophobicContact CB-CD2 3.71Å; E318-L352 VanDerWaalsContact CD-CD2 3.48Å; E318-L352 HydrophobicContact CG-CD2 3.67Å; R350-L352 HydrophobicContact CB-CD2 4.14Å; R350-L352 HydrophobicContact CB-CG 4.33Å
353M98.5Very high95.2Very high1 Ų124.8 Ų24.81%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-144151.3-174.972.5-165.776.900112.3Y227 F228 L316 Y317 L319 A357 K358 V361 L390Y227-M353 WeakPolarHBondContact O-CA 3.36Å; F228-M353 HydrophobicContact CD1-CB 3.65Å; F228-M353 HydrophobicContact CE1-CB 3.91Å; F228-M353 HydrophobicContact CE1-SD 4.25Å; F228-M353 HydrophobicContact CG-CB 4.47Å; L316-M353 CarbonylContact C-O 3.56Å; L316-M353 WeakPolarHBondContact CA-O 3.28Å; Y317-M353 HydrophobicContact CD1-CG 4.2Å; Y317-M353 HydrophobicContact CD1-SD 4.3Å; Y317-M353 PolarHBondContact N-O 3.17Å; Y317-M353 PolarHBondContact O-N 2.94Å; L319-M353 HydrophobicContact CD1-CE 4.35Å; L319-M353 HydrophobicContact CG-CE 4.12Å; M353-A357 HydrophobicContact CB-CB 3.77Å; M353-A357 HydrophobicContact CG-CB 4.33Å; M353-K358 HydrophobicContact CG-CB 4.18Å; M353-K358 HydrophobicContact SD-CB 4.11Å; M353-V361 HydrophobicContact SD-CB 4.4Å; M353-V361 HydrophobicContact SD-CG2 3.91Å; M353-L390 HydrophobicContact CE-CD2 3.69Å
354S98.3Very high93.6Very high2 Ų224.3 Ų24.31%0.01412%0.122CC..  trans-64.5159.4172.773.40000111.6Y227 S356 A357 K358Y227-S354 VanDerWaalsContact CZ-CB 3.43Å; Y227-S354 PolarHBondContact N-OG 3.09Å; Y227-S354 PolarHBondContact O-N 2.9Å; S354-S356 PolarHBondContact O-N 3.04Å; S354-S356 PolarHBondContact OG-OG 3.49Å; S354-A357 WeakPolarHBondContact O-CA 3.42Å; S354-A357 WeakPolarHBondContact O-CB 3.48Å; S354-A357 PolarHBondContact O-N 3.3Å; S354-A357 WeakPolarHBondContact OG-CB 3.37Å; S354-A357 PolarHBondContact OG-N 3.31Å; S354-K358 PolarHBondContact O-N 3.27Å
355P96.3Very high91.8Very high64 Ų6430 Ų3042%0.41615%0.148SC..Hα-helixtrans-53-39.2172.4-29.435.6000113.1R315 K358 E359R315-P355 WeakPolarHBondContact O-CD 3.29Å; P355-K358 WeakPolarHBondContact O-CB 3.47Å; P355-K358 PolarHBondContact O-N 2.84Å; P355-E359 PolarHBondContact O-N 2.88Å
356S94.8Very high89.8Confident51 Ų5133.2 Ų33.236%0.35717%0.17SC..Hα-helixtrans-71.1-29176.566.60000113.3S226 S354 L360S226-S356 WeakPolarHBondContact CA-OG 3.13Å; S226-S356 WeakPolarHBondContact CB-OG 3.37Å; S226-S356 VanDerWaalsContact OG-C 3.27Å; S226-S356 VanDerWaalsContact OG-CB 3.3Å; S226-S356 WeakPolarHBondContact OG-CB 3.47Å; S226-S356 PolarHBondContact OG-O 3.22Å; S226-S356 PolarHBondContact OG-OG 2.85Å; S354-S356 PolarHBondContact O-N 3.04Å; S354-S356 PolarHBondContact OG-OG 3.49Å; S356-L360 WeakPolarHBondContact O-CG 3.25Å; S356-L360 PolarHBondContact O-N 2.92Å
357A95.8Very high87.5Confident0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-73.6-38.217300000111.4S226 Y227 F228 M353 S354 E359 L360 V361S226-A357 PolarHBondContact OG-N 3.38Å; Y227-A357 WeakPolarHBondContact O-CB 3.29Å; F228-A357 HydrophobicContact CD1-CB 4.43Å; F228-A357 HydrophobicContact CD2-CB 4.41Å; F228-A357 HydrophobicContact CE1-CB 3.99Å; F228-A357 HydrophobicContact CE2-CB 3.97Å; F228-A357 HydrophobicContact CZ-CB 3.75Å; M353-A357 HydrophobicContact CB-CB 3.77Å; M353-A357 HydrophobicContact CG-CB 4.33Å; S354-A357 WeakPolarHBondContact O-CA 3.42Å; S354-A357 WeakPolarHBondContact O-CB 3.48Å; S354-A357 PolarHBondContact O-N 3.3Å; S354-A357 WeakPolarHBondContact OG-CB 3.37Å; S354-A357 PolarHBondContact OG-N 3.31Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.79Å; A357-L360 WeakPolarHBondContact O-CA 3.47Å; A357-L360 VanDerWaalsContact O-CB 3.32Å; A357-L360 WeakPolarHBondContact O-CB 3.44Å; A357-L360 PolarHBondContact O-N 2.94Å; A357-V361 WeakPolarHBondContact O-CG2 3.47Å; A357-V361 PolarHBondContact O-N 3.37Å
358K95.4Very high85.2Confident62 Ų6251.1 Ų51.127%0.2725%0.254SS..Hα-helixtrans-53.9-45.6170.5177.2-169.3-176167.10111.2Y317 M353 S354 P355 L360 V361 L362Y317-K358 HydrophobicContact CD1-CB 3.89Å; Y317-K358 HydrophobicContact CD1-CD 3.47Å; Y317-K358 VanDerWaalsContact CD1-CD 3.47Å; Y317-K358 HydrophobicContact CD1-CG 3.58Å; Y317-K358 HydrophobicContact CD2-CD 3.97Å; Y317-K358 HydrophobicContact CE1-CB 4.48Å; Y317-K358 HydrophobicContact CE1-CD 3.58Å; Y317-K358 VanDerWaalsContact CE1-CE 3.47Å; Y317-K358 HydrophobicContact CE1-CG 3.7Å; Y317-K358 HydrophobicContact CE2-CD 4.12Å; Y317-K358 HydrophobicContact CG-CB 4.41Å; Y317-K358 HydrophobicContact CG-CD 3.65Å; Y317-K358 HydrophobicContact CG-CG 4.22Å; Y317-K358 VanDerWaalsContact CZ-NZ 3.3Å; M353-K358 HydrophobicContact CG-CB 4.18Å; M353-K358 HydrophobicContact SD-CB 4.11Å; S354-K358 PolarHBondContact O-N 3.27Å; P355-K358 WeakPolarHBondContact O-CB 3.47Å; P355-K358 PolarHBondContact O-N 2.84Å; K358-L360 VanDerWaalsContact C-N 3.28Å; K358-L360 PolarHBondContact O-N 3.05Å; K358-V361 PolarHBondContact O-N 3.33Å; K358-V361 VanDerWaalsContact O-N 3.13Å; K358-L362 HydrophobicContact CD-CD1 4.18Å; K358-L362 VanDerWaalsContact CE-CD1 3.42Å; K358-L362 HydrophobicContact CG-CD1 3.75Å; K358-L362 HydrophobicContact CG-CG 4.14Å; K358-L362 WeakPolarHBondContact O-CG 3.33Å; K358-L362 PolarHBondContact O-N 3.4Å
359E91.6Very high83.4Confident101 Ų10155 Ų5547%0.47227%0.271SS..Hα-helixtrans-60.5-36.6176-70.1-175.4-155.100112.8P355 A357 V361 R363P355-E359 PolarHBondContact O-N 2.88Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 2.79Å; E359-V361 VanDerWaalsContact C-N 3.31Å; E359-V361 PolarHBondContact O-N 2.89Å; E359-R363 VanDerWaalsContact O-CB 3.23Å; E359-R363 WeakPolarHBondContact O-CB 3.5Å; E359-R363 WeakPolarHBondContact O-CD 3.19Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.11Å; E359-R363 IonicContact OE2-CZ 3.85Å; E359-R363 IonicContact OE2-NE 2.75Å; E359-R363 IonicContact OE2-NH2 3.62Å; E359-R363 PolarHBondContact OE2-NH2 3.45Å
360L89.9Confident82.4Confident8 Ų860.8 Ų60.84%0.04231%0.305CS..Hα-helixtrans-64.2-38.8175.5-63.1173.1000111.7C176 S356 A357 K358 A398C176-L360 VanDerWaalsContact SG-CD1 3.54Å; S356-L360 WeakPolarHBondContact O-CG 3.25Å; S356-L360 PolarHBondContact O-N 2.92Å; A357-L360 WeakPolarHBondContact O-CA 3.47Å; A357-L360 VanDerWaalsContact O-CB 3.32Å; A357-L360 WeakPolarHBondContact O-CB 3.44Å; A357-L360 PolarHBondContact O-N 2.94Å; K358-L360 VanDerWaalsContact C-N 3.28Å; K358-L360 PolarHBondContact O-N 3.05Å; L360-A398 HydrophobicContact CD2-CB 3.67Å
361V92.1Very high82.1Confident0 Ų061.6 Ų61.60%031%0.311CS..Hα-helixtrans-70.6-49.8179.4175.20000110.8F228 L319 M353 A357 K358 E359 S364 V371 F392F228-V361 HydrophobicContact CE1-CG2 3.86Å; F228-V361 HydrophobicContact CZ-CG2 4.08Å; L319-V361 HydrophobicContact CD1-CG1 4.26Å; M353-V361 HydrophobicContact SD-CB 4.4Å; M353-V361 HydrophobicContact SD-CG2 3.91Å; A357-V361 WeakPolarHBondContact O-CG2 3.47Å; A357-V361 PolarHBondContact O-N 3.37Å; K358-V361 PolarHBondContact O-N 3.33Å; K358-V361 VanDerWaalsContact O-N 3.13Å; E359-V361 VanDerWaalsContact C-N 3.31Å; E359-V361 PolarHBondContact O-N 2.89Å; V361-S364 WeakPolarHBondContact O-CB 3.3Å; V361-S364 PolarHBondContact O-N 2.99Å; V361-S364 PolarHBondContact O-OG 3.26Å; V361-V371 HydrophobicContact CG1-CB 4.36Å; V361-V371 HydrophobicContact CG1-CG1 3.61Å; V361-V371 HydrophobicContact CG1-CG2 3.81Å; V361-F392 HydrophobicContact CB-CD2 4.42Å; V361-F392 HydrophobicContact CG1-CB 4.14Å; V361-F392 HydrophobicContact CG1-CG 4.43Å; V361-F392 HydrophobicContact CG2-CD1 4.34Å; V361-F392 HydrophobicContact CG2-CD2 3.83Å; V361-F392 HydrophobicContact CG2-CE1 4.44Å; V361-F392 HydrophobicContact CG2-CE2 3.96Å; V361-F392 HydrophobicContact CG2-CG 4.03Å; V361-F392 HydrophobicContact CG2-CZ 4.27Å
362L86.9Confident81.9Confident58 Ų5863.5 Ų63.530%0.30432%0.323SS..Hα-helixtrans-76-28.9-174.1-63-177.4000114.1L319 K358 S364 E365L319-L362 HydrophobicContact CD2-CD2 4.27Å; K358-L362 HydrophobicContact CD-CD1 4.18Å; K358-L362 VanDerWaalsContact CE-CD1 3.42Å; K358-L362 HydrophobicContact CG-CD1 3.75Å; K358-L362 HydrophobicContact CG-CG 4.14Å; K358-L362 WeakPolarHBondContact O-CG 3.33Å; K358-L362 PolarHBondContact O-N 3.4Å; L362-S364 PolarHBondContact O-N 3.39Å; L362-E365 PolarHBondContact O-N 2.99Å; L362-E365 VanDerWaalsContact O-N 3.15Å
363R77Confident81.9Confident132 Ų13264.1 Ų64.150%0.49833%0.325SS..THydrogen-bonded Turntrans-63.1-7.9174.2-76.2173.7-170.7-1657.6113.6E359E359-R363 VanDerWaalsContact O-CB 3.23Å; E359-R363 WeakPolarHBondContact O-CB 3.5Å; E359-R363 WeakPolarHBondContact O-CD 3.19Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.11Å; E359-R363 IonicContact OE2-CZ 3.85Å; E359-R363 IonicContact OE2-NE 2.75Å; E359-R363 IonicContact OE2-NH2 3.62Å; E359-R363 PolarHBondContact OE2-NH2 3.45Å
364S62.9Low81.9Confident8 Ų866.6 Ų66.66%0.05634%0.339CS..THydrogen-bonded Turntrans-89.5-6.5179.781.70000114V361 L362 S366 R393V361-S364 WeakPolarHBondContact O-CB 3.3Å; V361-S364 PolarHBondContact O-N 2.99Å; V361-S364 PolarHBondContact O-OG 3.26Å; L362-S364 PolarHBondContact O-N 3.39Å; S364-S366 PolarHBondContact O-N 3.1Å; S364-R393 WeakPolarHBondContact CB-O 3.46Å
365E59Low81.8Confident132 Ų13267.1 Ų67.162%0.61734%0.341SS*.  trans-68100.8177-69.2-177.7-179.800110.5L362L362-E365 PolarHBondContact O-N 2.99Å; L362-E365 VanDerWaalsContact O-N 3.15Å
366S56.8Low82Confident69 Ų6964.1 Ų64.148%0.48332%0.321SS..BIsolated β-bridgetrans-116.4153.8156.355.80000106.7S364 E368 K369S364-S366 PolarHBondContact O-N 3.1Å; S366-E368 PolarHBondContact O-N 2.89Å; S366-K369 PolarHBondContact O-N 2.85Å
367E49.6Very low82.1Confident206 Ų20661.9 Ų61.996%0.96331%0.306SS*.THydrogen-bonded Turntrans-50.8-22.4-174.6-67.5177.6171.600114.4
368E51.3Low82Confident173 Ų17365 Ų6581%0.80833%0.326SS*.THydrogen-bonded Turntrans-95.4-11.9-178-65.5-176.2167.300115.5S366S366-E368 PolarHBondContact O-N 2.89Å
369K61Low82Confident83 Ų8367.3 Ų67.336%0.36134%0.342SS..BIsolated β-bridgetrans-139.799.8-170-67.2176.5-177.3171.60111.7S366S366-K369 PolarHBondContact O-N 2.85Å
370V76.4Confident82.2Confident120 Ų12063.7 Ų63.773%0.72733%0.326SS*.  trans-91.2139.2-172.4-178.40000111
371V92.9Very high82.5Confident23 Ų2363.4 Ų63.414%0.13933%0.325CS..  trans-71.6132.2167.4174.90000108.6L319 V361 L390 A391 F392L319-V371 HydrophobicContact CD1-CG1 3.63Å; V361-V371 HydrophobicContact CG1-CB 4.36Å; V361-V371 HydrophobicContact CG1-CG1 3.61Å; V361-V371 HydrophobicContact CG1-CG2 3.81Å; V371-L390 HydrophobicContact CG1-CD1 3.74Å; V371-A391 WeakPolarHBondContact CA-O 3.49Å; V371-F392 HydrophobicContact CG1-CB 4.29Å; V371-F392 HydrophobicContact CG2-CB 4.07Å
372T95.6Very high82.7Confident41 Ų4163.5 Ų63.525%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-119.9122.4-179.9-49.60000110.1D374 F389 L390 A391T372-D374 HydrophobicContact CG2-CB 4.24Å; T372-F389 HydrophobicContact CG2-CE2 3.86Å; T372-F389 HydrophobicContact CG2-CZ 3.9Å; T372-L390 CarbonylContact O-C 3.56Å; T372-L390 WeakPolarHBondContact O-CA 3.36Å; T372-A391 PolarHBondContact N-O 3.02Å; T372-A391 PolarHBondContact O-N 3.38Å
373Y97.9Very high83.1Confident12 Ų1260.8 Ų60.85%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-120.1107.3172.6-175.1-140.4000108.9E318 L319 I321 F323 I351 V388 F389 L390E318-Y373 HydrophobicContact CG-CE1 3.83Å; E318-Y373 PolarHBondContact OE1-OH 2.87Å; L319-Y373 HydrophobicContact CB-CD1 3.8Å; L319-Y373 HydrophobicContact CB-CG 4.27Å; I321-Y373 HydrophobicContact CG1-CE1 3.93Å; F323-Y373 HydrophobicContact CE1-CD1 4.01Å; F323-Y373 HydrophobicContact CE1-CD2 4.34Å; F323-Y373 AromaticContact CE1-CE1 3.91Å; F323-Y373 HydrophobicContact CE1-CE1 3.91Å; F323-Y373 HydrophobicContact CE1-CE2 4.2Å; F323-Y373 HydrophobicContact CE1-CG 4.24Å; F323-Y373 HydrophobicContact CZ-CE1 4.19Å; F323-Y373 HydrophobicContact CZ-CE2 4.3Å; F323-Y373 AromaticContact CZ-CZ 3.95Å; I351-Y373 HydrophobicContact CB-CE2 3.83Å; I351-Y373 HydrophobicContact CD1-CE2 4.12Å; I351-Y373 HydrophobicContact CG1-CE2 4.08Å; I351-Y373 PolarHBondContact N-OH 3.08Å; Y373-V388 HydrophobicContact CD2-CG1 4.29Å; Y373-V388 HydrophobicContact CE2-CG1 3.49Å; Y373-V388 VanDerWaalsContact CE2-CG1 3.49Å; Y373-F389 WeakPolarHBondContact CA-O 3.4Å; Y373-F389 WeakPolarHBondContact CD2-O 3.32Å; Y373-L390 HydrophobicContact CD2-CB 4.22Å; Y373-L390 HydrophobicContact CD2-CD1 4.44Å
374D98Very high84Confident54 Ų5455.3 Ų55.329%0.28929%0.292SS..EExtended strand (participates in β ladder)trans-154.7174.1-169.5-152.3-21.5000111.1F323 T372 V388 F389F323-D374 WeakPolarHBondContact CB-OD1 3.34Å; T372-D374 HydrophobicContact CG2-CB 4.24Å; D374-V388 CarbonylContact O-C 3.52Å; D374-F389 HydrophobicContact CB-CD1 4.43Å; D374-F389 HydrophobicContact CB-CE1 3.68Å; D374-F389 HydrophobicContact CB-CZ 3.79Å; D374-F389 PolarHBondContact N-O 3.36Å; D374-F389 WeakPolarHBondContact O-CD1 3.16Å; D374-F389 PolarHBondContact O-N 3.37Å
375H97.6Very high85.7Confident12 Ų1255.2 Ų55.26%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-99.5166.1171.970.9-175.7000112.7F323 P324 P378 P387 V388F323-H375 HydrophobicContact CB-CB 4.32Å; F323-H375 HydrophobicContact CD2-CB 3.99Å; F323-H375 HydrophobicContact CG-CB 4.21Å; P324-H375 WeakPolarHBondContact CD-CE1 3.47Å; P324-H375 WeakPolarHBondContact CG-CE1 3.43Å; H375-P378 WeakPolarHBondContact NE2-CA 3Å; H375-P378 WeakPolarHBondContact NE2-CB 3.41Å; H375-P387 CarbonylContact C-O 3.56Å; H375-P387 WeakPolarHBondContact CA-O 3.44Å; H375-P387 VanDerWaalsContact CB-O 3.3Å; H375-P387 WeakPolarHBondContact CB-O 3.37Å; H375-V388 HydrophobicContact CB-CG2 4.13Å
376I98.5Very high87.5Confident2 Ų249 Ų491%0.0126%0.262CS..SBendtrans-103.9134.6-179.1-52-172.5000109.8V15 E36 F37 V40 M382 P387 F389V15-I376 HydrophobicContact CG1-CD1 3.92Å; E36-I376 HydrophobicContact CB-CG2 3.68Å; F37-I376 HydrophobicContact CD2-CD1 4.34Å; V40-I376 HydrophobicContact CB-CD1 4.39Å; V40-I376 HydrophobicContact CG1-CD1 4.42Å; V40-I376 HydrophobicContact CG2-CB 4.5Å; V40-I376 HydrophobicContact CG2-CD1 4.03Å; V40-I376 HydrophobicContact CG2-CG1 4.01Å; V40-I376 HydrophobicContact CG2-CG2 3.94Å; I376-M382 HydrophobicContact CB-CE 4.36Å; I376-M382 HydrophobicContact CG2-CE 3.86Å; I376-P387 HydrophobicContact CB-CB 4.01Å; I376-P387 HydrophobicContact CB-CG 4.29Å; I376-P387 HydrophobicContact CD1-CB 3.99Å; I376-P387 HydrophobicContact CG1-CB 4Å; I376-P387 PolarHBondContact N-O 3.33Å; I376-F389 HydrophobicContact CD1-CB 4.48Å; I376-F389 HydrophobicContact CD1-CD1 4.26Å; I376-F389 HydrophobicContact CG1-CD1 3.62Å; I376-F389 HydrophobicContact CG1-CE1 4.27Å; I376-F389 HydrophobicContact CG1-CG 4.48Å
377G96.9Very high89.5Confident4 Ų445.8 Ų45.84%0.04124%0.24CC..  trans68.657174.300000113.5N379 V380 K386G377-N379 PolarHBondContact O-N 3.5Å; G377-N379 VanDerWaalsContact O-N 3.09Å; G377-V380 PolarHBondContact O-N 3.42Å; G377-K386 PolarHBondContact O-NZ 3.38Å
378P94.9Very high91.9Very high65 Ų6536 Ų3642%0.42219%0.194SC..THydrogen-bonded Turntrans-49.4-40.9-177.516.9-31.1000113.2H375 K386H375-P378 WeakPolarHBondContact NE2-CA 3Å; H375-P378 WeakPolarHBondContact NE2-CB 3.41Å; P378-K386 WeakPolarHBondContact O-CE 3.45Å; P378-K386 PolarHBondContact O-NZ 2.63Å
379N94.6Very high94.1Very high110 Ų11028.2 Ų28.259%0.58816%0.157SC*.THydrogen-bonded Turntrans-106.511.3-175.9-51-30.2000113.3E337 G377E337-N379 PolarHBondContact OE1-OD1 2.92Å; G377-N379 PolarHBondContact O-N 3.5Å; G377-N379 VanDerWaalsContact O-N 3.09Å
380V96.1Very high95.9Very high25 Ų2524.3 Ų24.315%0.15214%0.14CC..SBendtrans-113.9140.1-175.5-179.30000109.7N32 E36 G377 M382 K386N32-V380 HydrophobicContact CB-CG1 3.87Å; E36-V380 HydrophobicContact CG-CB 4.11Å; E36-V380 HydrophobicContact CG-CG1 4.02Å; E36-V380 HydrophobicContact CG-CG2 4.04Å; G377-V380 PolarHBondContact O-N 3.42Å; V380-M382 HydrophobicContact CB-SD 4.21Å; V380-M382 HydrophobicContact CG1-SD 3.89Å; V380-M382 WeakPolarHBondContact O-CG 3.29Å; V380-M382 PolarHBondContact O-N 2.7Å; V380-K386 PolarHBondContact O-NZ 3.28Å
381C95.5Very high96.9Very high3 Ų318.9 Ų18.92%0.0211%0.108CC..  trans-72.2111.7171.6-176.70000108.8L29 S330 D332 G336L29-C381 HydrophobicContact CD2-CB 4.22Å; L29-C381 WeakPolarHBondContact CD2-SG 3.47Å; S330-C381 PolarHBondContact O-SG 3.5Å; D332-C381 PolarHBondContact O-SG 2.73Å; G336-C381 VanDerWaalsContact CA-N 3.33Å
382M96.1Very high97Very high2 Ų218.1 Ų18.11%0.0110%0.103CC..  trans-108.16.2-174.9-61.9-65.2-7800112.3L22 W33 E36 I376 V380 K386 P387L22-M382 WeakPolarHBondContact CD2-O 3.43Å; W33-M382 HydrophobicContact CB-CE 4.14Å; W33-M382 HydrophobicContact CB-SD 4.45Å; W33-M382 VanDerWaalsContact CD1-CE 3.5Å; W33-M382 HydrophobicContact CG-CE 3.8Å; E36-M382 HydrophobicContact CB-CE 3.86Å; E36-M382 HydrophobicContact CB-SD 4.07Å; E36-M382 HydrophobicContact CG-CE 4.3Å; E36-M382 HydrophobicContact CG-SD 3.82Å; I376-M382 HydrophobicContact CB-CE 4.36Å; I376-M382 HydrophobicContact CG2-CE 3.86Å; V380-M382 HydrophobicContact CB-SD 4.21Å; V380-M382 HydrophobicContact CG1-SD 3.89Å; V380-M382 WeakPolarHBondContact O-CG 3.29Å; V380-M382 PolarHBondContact O-N 2.7Å; M382-K386 HydrophobicContact CB-CG 4.38Å; M382-K386 HydrophobicContact CG-CG 4.46Å; M382-P387 HydrophobicContact CE-CG 3.99Å
383G95.3Very high96.9Very high1 Ų118.9 Ų18.91%0.0110%0.101CC..SBendtrans106.1-174.2-161.700000111.4H385G383-H385 PolarHBondContact O-N 2.69Å
384D96.6Very high96.5Very high16 Ų1618.4 Ų18.49%0.08610%0.099CC..SBendtrans-70.5-14.6176.456.9-1.4000113.4S21 K59 Y327 P328 Y329 E331 M340S21-D384 PolarHBondContact OG-N 3.09Å; S21-D384 PolarHBondContact OG-OD1 3.09Å; K59-D384 IonicContact NZ-OD2 3.23Å; K59-D384 PolarHBondContact NZ-OD2 3.43Å; Y327-D384 WeakPolarHBondContact CD2-O 3.44Å; P328-D384 CarbonylContact C-O 3.45Å; P328-D384 WeakPolarHBondContact CA-O 3.33Å; Y329-D384 PolarHBondContact N-O 3.3Å; Y329-D384 WeakPolarHBondContact O-CA 3.45Å; E331-D384 HydrophobicContact CG-CB 4Å; M340-D384 HydrophobicContact CE-CB 3.41Å; M340-D384 VanDerWaalsContact CE-CB 3.41Å
385H98.1Very high96Very high7 Ų719.3 Ų19.33%0.03210%0.103CC..SBendtrans-114.8143.6168.4-71.4-110.2000111.6N18 D232 S326 Y327 D349 G383N18-H385 HydrophobicContact CB-CB 3.91Å; D232-H385 IonicContact OD2-CE1 2.69Å; S326-H385 CarbonylContact O-C 3.56Å; S326-H385 VanDerWaalsContact O-CA 3.31Å; S326-H385 WeakPolarHBondContact O-CA 3.44Å; Y327-H385 AromaticContact CD2-CD2 3.44Å; Y327-H385 VanDerWaalsContact CD2-CD2 3.44Å; Y327-H385 WeakPolarHBondContact CD2-CD2 2.96Å; Y327-H385 AromaticContact CD2-CE1 3.48Å; Y327-H385 VanDerWaalsContact CD2-CE1 3.48Å; Y327-H385 WeakPolarHBondContact CD2-CE1 3.29Å; Y327-H385 AromaticContact CD2-CG 3.94Å; Y327-H385 AromaticContact CD2-ND1 3.95Å; Y327-H385 AromaticContact CD2-NE2 3.1Å; Y327-H385 WeakPolarHBondContact CD2-NE2 3.21Å; Y327-H385 AromaticContact CE2-CD2 4Å; Y327-H385 AromaticContact CE2-NE2 3.49Å; Y327-H385 WeakPolarHBondContact CE2-NE2 3.19Å; Y327-H385 AromaticContact CG-CE1 3.77Å; Y327-H385 AromaticContact CG-NE2 3.88Å; D349-H385 IonicContact OD1-ND1 3.27Å; D349-H385 PolarHBondContact OD1-ND1 3.29Å; D349-H385 IonicContact OD2-CE1 2.88Å; D349-H385 IonicContact OD2-CG 3.21Å; D349-H385 IonicContact OD2-ND1 2.67Å; D349-H385 PolarHBondContact OD2-ND1 3.48Å; G383-H385 PolarHBondContact O-N 2.69Å
386K98.1Very high95Very high1 Ų121.7 Ų21.70%0.00412%0.119CC..  trans-94.4131.2163.8-73.6-175.5-169-770110.2S326 Y329 G336 G377 P378 V380 M382S326-K386 PolarHBondContact O-N 2.95Å; Y329-K386 HydrophobicContact CD2-CB 4.44Å; Y329-K386 HydrophobicContact CD2-CD 4.04Å; Y329-K386 HydrophobicContact CD2-CG 3.71Å; Y329-K386 HydrophobicContact CE1-CD 4.15Å; Y329-K386 HydrophobicContact CE2-CB 4.18Å; Y329-K386 HydrophobicContact CE2-CD 3.51Å; Y329-K386 HydrophobicContact CE2-CG 3.61Å; Y329-K386 HydrophobicContact CG-CG 4.34Å; G336-K386 PolarHBondContact O-NZ 2.87Å; G377-K386 PolarHBondContact O-NZ 3.38Å; P378-K386 WeakPolarHBondContact O-CE 3.45Å; P378-K386 PolarHBondContact O-NZ 2.63Å; V380-K386 PolarHBondContact O-NZ 3.28Å; M382-K386 HydrophobicContact CB-CG 4.38Å; M382-K386 HydrophobicContact CG-CG 4.46Å
387P98.6Very high93.7Very high2 Ų223.2 Ų23.21%0.01314%0.136CC..  trans-59.5147.3175.7-23.333.5000112.1V15 T16 A17 W33 H375 I376 M382V15-P387 HydrophobicContact CG1-CB 4.31Å; T16-P387 CarbonylContact O-C 3.56Å; T16-P387 VanDerWaalsContact O-CA 3.25Å; T16-P387 WeakPolarHBondContact O-CA 3.48Å; A17-P387 HydrophobicContact CB-CB 3.94Å; A17-P387 HydrophobicContact CB-CG 3.97Å; W33-P387 HydrophobicContact CZ2-CG 4.15Å; H375-P387 CarbonylContact C-O 3.56Å; H375-P387 WeakPolarHBondContact CA-O 3.44Å; H375-P387 VanDerWaalsContact CB-O 3.3Å; H375-P387 WeakPolarHBondContact CB-O 3.37Å; I376-P387 HydrophobicContact CB-CB 4.01Å; I376-P387 HydrophobicContact CB-CG 4.29Å; I376-P387 HydrophobicContact CD1-CB 3.99Å; I376-P387 HydrophobicContact CG1-CB 4Å; I376-P387 PolarHBondContact N-O 3.33Å; M382-P387 HydrophobicContact CE-CG 3.99Å
388V98.9Very high92.5Very high0 Ų023.8 Ų23.80%014%0.14CC..EExtended strand (participates in β ladder)trans-118.4139.2176.4172.50000109.4V15 T16 F323 D349 I351 Y373 D374 H375V15-V388 CarbonylContact C-O 3.4Å; V15-V388 WeakPolarHBondContact CA-O 3.39Å; T16-V388 HydrophobicContact CG2-CB 3.95Å; T16-V388 PolarHBondContact N-O 3.37Å; T16-V388 PolarHBondContact O-N 3.37Å; F323-V388 HydrophobicContact CD2-CG2 4.46Å; F323-V388 HydrophobicContact CE1-CG1 4.27Å; F323-V388 HydrophobicContact CE2-CG1 4.23Å; F323-V388 HydrophobicContact CE2-CG2 3.68Å; F323-V388 HydrophobicContact CZ-CG1 3.66Å; F323-V388 HydrophobicContact CZ-CG2 4Å; D349-V388 HydrophobicContact CB-CB 4.28Å; D349-V388 HydrophobicContact CB-CG2 3.85Å; D349-V388 WeakPolarHBondContact O-CG2 3.18Å; I351-V388 HydrophobicContact CD1-CG1 4.37Å; I351-V388 HydrophobicContact CG1-CG1 4.42Å; Y373-V388 HydrophobicContact CD2-CG1 4.29Å; Y373-V388 HydrophobicContact CE2-CG1 3.49Å; Y373-V388 VanDerWaalsContact CE2-CG1 3.49Å; D374-V388 CarbonylContact O-C 3.52Å; H375-V388 HydrophobicContact CB-CG2 4.13Å
389F98.9Very high91Very high9 Ų922.3 Ų22.34%0.03914%0.137CC..EExtended strand (participates in β ladder)trans-134152.5-177.978.8-88.7000113.9L13 L14 V15 V40 H44 I351 T372 Y373 D374 I376 A391L13-F389 HydrophobicContact CD1-CB 4.02Å; L13-F389 HydrophobicContact CD1-CD2 3.57Å; L13-F389 HydrophobicContact CD1-CE2 4.44Å; L13-F389 HydrophobicContact CD1-CG 4.14Å; L14-F389 CarbonylContact O-C 3.41Å; L14-F389 WeakPolarHBondContact O-CA 3.38Å; L14-F389 WeakPolarHBondContact O-CB 2.94Å; V15-F389 HydrophobicContact CB-CB 4.49Å; V15-F389 HydrophobicContact CG1-CB 4.5Å; V15-F389 HydrophobicContact CG2-CB 3.93Å; V40-F389 HydrophobicContact CG1-CD1 4.31Å; V40-F389 HydrophobicContact CG1-CD2 4.22Å; V40-F389 HydrophobicContact CG1-CE1 4.37Å; V40-F389 HydrophobicContact CG1-CE2 4.31Å; V40-F389 HydrophobicContact CG1-CG 4.21Å; V40-F389 HydrophobicContact CG1-CZ 4.37Å; V40-F389 HydrophobicContact CG2-CE1 4.45Å; H44-F389 AromaticContact CD2-CE2 3.96Å; H44-F389 AromaticContact CE1-CE2 3.94Å; H44-F389 AromaticContact NE2-CE2 3.36Å; H44-F389 WeakPolarHBondContact NE2-CE2 3.43Å; H44-F389 AromaticContact NE2-CZ 3.64Å; I351-F389 VanDerWaalsContact CD1-C 3.42Å; T372-F389 HydrophobicContact CG2-CE2 3.86Å; T372-F389 HydrophobicContact CG2-CZ 3.9Å; Y373-F389 WeakPolarHBondContact CA-O 3.4Å; Y373-F389 WeakPolarHBondContact CD2-O 3.32Å; D374-F389 HydrophobicContact CB-CD1 4.43Å; D374-F389 HydrophobicContact CB-CE1 3.68Å; D374-F389 HydrophobicContact CB-CZ 3.79Å; D374-F389 PolarHBondContact N-O 3.36Å; D374-F389 WeakPolarHBondContact O-CD1 3.16Å; D374-F389 PolarHBondContact O-N 3.37Å; I376-F389 HydrophobicContact CD1-CB 4.48Å; I376-F389 HydrophobicContact CD1-CD1 4.26Å; I376-F389 HydrophobicContact CG1-CD1 3.62Å; I376-F389 HydrophobicContact CG1-CE1 4.27Å; I376-F389 HydrophobicContact CG1-CG 4.48Å; F389-A391 HydrophobicContact CD2-CB 4.22Å; F389-A391 HydrophobicContact CE2-CB 4.15Å
390L98.6Very high89.4Confident1 Ų122.9 Ų22.91%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-126.3116.1171.5176.459.8000109L14 F228 L319 I351 M353 V371 T372 Y373 F392L14-L390 HydrophobicContact CB-CB 4.46Å; L14-L390 PolarHBondContact N-O 2.84Å; L14-L390 PolarHBondContact O-N 3.05Å; F228-L390 HydrophobicContact CE1-CD2 4.47Å; L319-L390 HydrophobicContact CD1-CD1 3.5Å; I351-L390 HydrophobicContact CB-CB 4.42Å; I351-L390 HydrophobicContact CD1-CB 3.54Å; I351-L390 HydrophobicContact CG2-CB 4.05Å; I351-L390 HydrophobicContact CG2-CD2 3.85Å; M353-L390 HydrophobicContact CE-CD2 3.69Å; V371-L390 HydrophobicContact CG1-CD1 3.74Å; T372-L390 CarbonylContact O-C 3.56Å; T372-L390 WeakPolarHBondContact O-CA 3.36Å; Y373-L390 HydrophobicContact CD2-CB 4.22Å; Y373-L390 HydrophobicContact CD2-CD1 4.44Å; L390-F392 HydrophobicContact CD2-CD1 4.28Å; L390-F392 HydrophobicContact CD2-CE1 4.39Å; L390-F392 HydrophobicContact CG-CD1 3.95Å; L390-F392 HydrophobicContact CG-CE1 4.42Å
391A97.4Very high87.2Confident6 Ų626.3 Ų26.35%0.0516%0.157CC..EExtended strand (participates in β ladder)trans-107.8126.5175.200000110.5V12 L13 H44 V371 T372 F389V12-A391 WeakPolarHBondContact O-CA 3.42Å; L13-A391 HydrophobicContact CD1-CB 3.96Å; H44-A391 HydrophobicContact CB-CB 4.28Å; H44-A391 WeakPolarHBondContact ND1-CB 3.49Å; V371-A391 WeakPolarHBondContact CA-O 3.49Å; T372-A391 PolarHBondContact N-O 3.02Å; T372-A391 PolarHBondContact O-N 3.38Å; F389-A391 HydrophobicContact CD2-CB 4.22Å; F389-A391 HydrophobicContact CE2-CB 4.15Å
392F95.1Very high84.8Confident8 Ų833.6 Ų33.64%0.03519%0.19CC..EExtended strand (participates in β ladder)trans-154.4-180-179.567.3-78.5000111.6V12 L14 F228 V361 V371 L390 I394V12-F392 HydrophobicContact CB-CD1 4.14Å; V12-F392 HydrophobicContact CB-CE1 3.78Å; V12-F392 HydrophobicContact CB-CE2 4.16Å; V12-F392 HydrophobicContact CB-CZ 3.79Å; V12-F392 HydrophobicContact CG1-CD1 4.23Å; V12-F392 HydrophobicContact CG1-CE1 3.46Å; V12-F392 VanDerWaalsContact CG1-CE1 3.46Å; V12-F392 HydrophobicContact CG1-CE2 4.42Å; V12-F392 HydrophobicContact CG1-CZ 3.58Å; V12-F392 HydrophobicContact CG2-CE2 4.41Å; V12-F392 HydrophobicContact CG2-CZ 4.31Å; V12-F392 PolarHBondContact N-O 3.12Å; V12-F392 PolarHBondContact O-N 3.28Å; L14-F392 HydrophobicContact CD1-CE1 3.98Å; L14-F392 HydrophobicContact CG-CE1 4.07Å; F228-F392 HydrophobicContact CE1-CE1 4.35Å; F228-F392 HydrophobicContact CE1-CZ 4.08Å; F228-F392 HydrophobicContact CE2-CZ 4.28Å; F228-F392 HydrophobicContact CZ-CE1 4.34Å; F228-F392 HydrophobicContact CZ-CE2 4.2Å; F228-F392 AromaticContact CZ-CZ 3.63Å; F228-F392 HydrophobicContact CZ-CZ 3.63Å; V361-F392 HydrophobicContact CB-CD2 4.42Å; V361-F392 HydrophobicContact CG1-CB 4.14Å; V361-F392 HydrophobicContact CG1-CG 4.43Å; V361-F392 HydrophobicContact CG2-CD1 4.34Å; V361-F392 HydrophobicContact CG2-CD2 3.83Å; V361-F392 HydrophobicContact CG2-CE1 4.44Å; V361-F392 HydrophobicContact CG2-CE2 3.96Å; V361-F392 HydrophobicContact CG2-CG 4.03Å; V361-F392 HydrophobicContact CG2-CZ 4.27Å; V371-F392 HydrophobicContact CG1-CB 4.29Å; V371-F392 HydrophobicContact CG2-CB 4.07Å; L390-F392 HydrophobicContact CD2-CD1 4.28Å; L390-F392 HydrophobicContact CD2-CE1 4.39Å; L390-F392 HydrophobicContact CG-CD1 3.95Å; L390-F392 HydrophobicContact CG-CE1 4.42Å; F392-I394 HydrophobicContact CD2-CG1 4.28Å; F392-I394 HydrophobicContact CE2-CD1 4.17Å; F392-I394 HydrophobicContact CE2-CG1 3.65Å
393R92.3Very high82.3Confident57 Ų5737 Ų3722%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-123.2139.1174.7-70.5-176.5176.5-94.4-3.4112.3G9 T10 A11 S364G9-R393 PolarHBondContact O-NH1 3.26Å; T10-R393 CarbonylContact O-C 3.58Å; T10-R393 VanDerWaalsContact O-CA 3.25Å; T10-R393 WeakPolarHBondContact O-CA 3.19Å; A11-R393 HydrophobicContact CB-CG 4.39Å; S364-R393 WeakPolarHBondContact CB-O 3.46Å
394I90.4Very high79.6Confident1 Ų147.5 Ų47.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-95.3117.5169.4-60.3177000108.4G9 T10 V12 C176 F178 F392 A398G9-I394 CarbonylContact C-O 3.58Å; G9-I394 WeakPolarHBondContact CA-O 3.33Å; T10-I394 PolarHBondContact N-O 3.15Å; T10-I394 PolarHBondContact O-N 3.29Å; V12-I394 HydrophobicContact CG2-CD1 3.76Å; V12-I394 HydrophobicContact CG2-CG1 3.97Å; C176-I394 HydrophobicContact CB-CG2 4.01Å; F178-I394 HydrophobicContact CD1-CD1 4.39Å; F178-I394 HydrophobicContact CE1-CD1 3.75Å; F178-I394 HydrophobicContact CZ-CD1 4.32Å; F392-I394 HydrophobicContact CD2-CG1 4.28Å; F392-I394 HydrophobicContact CE2-CD1 4.17Å; F392-I394 HydrophobicContact CE2-CG1 3.65Å; I394-A398 HydrophobicContact CG2-CB 4.11Å
395M86.5Confident76.8Confident73 Ų7352.1 Ų52.136%0.3629%0.287SS..PPolyproline II helixtrans-71.9146.6177.9-66.3-57.3-7300111.6G397 A398M395-G397 PolarHBondContact O-N 3.36Å; M395-A398 WeakPolarHBondContact O-CB 3.23Å; M395-A398 PolarHBondContact O-N 2.97Å; M395-A398 VanDerWaalsContact O-N 3.07Å
396P77.7Confident73.9Confident62 Ų6259.8 Ų59.840%0.40332%0.322SS..THydrogen-bonded Turntrans-56.6127.4178.2-23.533.5000111.8A7 A398A7-P396 HydrophobicContact CB-CG 4.09Å; P396-A398 VanDerWaalsContact C-N 3.32Å
397G70Confident71.1Confident35 Ų3568.9 Ų68.936%0.36136%0.362SS..THydrogen-bonded Turntrans78.58.8179.900000115.2M395 G399 K400M395-G397 PolarHBondContact O-N 3.36Å; G397-G399 PolarHBondContact O-N 3.23Å; G397-G399 VanDerWaalsContact O-N 3.14Å; G397-K400 PolarHBondContact O-N 2.7Å
398A72.5Confident68.1Low15 Ų1574.2 Ų74.212%0.12440%0.398CS..THydrogen-bonded Turntrans-56.9-27.4177.100000113.4L360 I394 M395 P396 K400L360-A398 HydrophobicContact CD2-CB 3.67Å; I394-A398 HydrophobicContact CG2-CB 4.11Å; M395-A398 WeakPolarHBondContact O-CB 3.23Å; M395-A398 PolarHBondContact O-N 2.97Å; M395-A398 VanDerWaalsContact O-N 3.07Å; P396-A398 VanDerWaalsContact C-N 3.32Å; A398-K400 VanDerWaalsContact C-N 3.29Å; A398-K400 PolarHBondContact O-N 2.91Å
399G63Low65.1Low35 Ų3579.3 Ų79.336%0.36143%0.432SS..THydrogen-bonded Turntrans-75.1-3.1174.500000115.9G397 P401G397-G399 PolarHBondContact O-N 3.23Å; G397-G399 VanDerWaalsContact O-N 3.14Å; G399-P401 WeakPolarHBondContact O-CD 3.35Å
400K61.5Low62.1Low122 Ų12284.8 Ų84.853%0.5347%0.466SS..  trans-122.483.9-179.8-65-177.3-176.5173.90111.4G397 A398 H402 A403G397-K400 PolarHBondContact O-N 2.7Å; A398-K400 VanDerWaalsContact C-N 3.29Å; A398-K400 PolarHBondContact O-N 2.91Å; K400-H402 PolarHBondContact O-N 3.18Å; K400-A403 HydrophobicContact CB-CB 3.77Å; K400-A403 HydrophobicContact CD-CB 4.21Å; K400-A403 PolarHBondContact O-N 3.44Å
401P50Low59.3Low96 Ų9691.1 Ų91.162%0.62350%0.504SS*.THydrogen-bonded Turntrans-57-23-177.26.6-14.5000114.7G399G399-P401 WeakPolarHBondContact O-CD 3.35Å
402H44.3Very low56.5Low157 Ų157102.7 Ų102.773%0.72756%0.557SS**THydrogen-bonded Turntrans-109.14.4-176.1-61.4-60.5000116.1K400 R404K400-H402 PolarHBondContact O-N 3.18Å; H402-R404 VanDerWaalsContact C-N 3.25Å; H402-R404 PolarHBondContact O-N 3Å
403A44Very low54.6Low74 Ų74107.5 Ų107.561%0.61258%0.584SS**THydrogen-bonded Turntrans-74.7-11.2-177.300000114.4K400K400-A403 HydrophobicContact CB-CB 3.77Å; K400-A403 HydrophobicContact CD-CB 4.21Å; K400-A403 PolarHBondContact O-N 3.44Å
404R39Very low52.6Low221 Ų221110.1 Ų110.183%0.83460%0.603SS**THydrogen-bonded Turntrans-105.823.9179.4-71.1-165.7-178.4-163.24114.5H402 H406H402-R404 VanDerWaalsContact C-N 3.25Å; H402-R404 PolarHBondContact O-N 3Å; R404-H406 PolarHBondContact O-N 3.28Å
405V38Very low50.5Low113 Ų113116.2 Ų116.269%0.68564%0.636SS**  trans-75.890.1158.4-170.20000106.1K407V405-K407 PolarHBondContact O-N 2.88Å
406H37.7Very low48.4Very low168 Ų168118.7 Ų118.778%0.77865%0.652SS**  trans-52111.2165.8-86.6-55.2000107.2R404 C408R404-H406 PolarHBondContact O-N 3.28Å; H406-C408 PolarHBondContact O-N 2.87Å
407K38.6Very low46.5Very low192 Ų192122.3 Ų122.384%0.83567%0.668SS**  trans-60.892.1156.6-79.1-175.3175.5-177.50105.8V405 C409V405-K407 PolarHBondContact O-N 2.88Å; K407-C409 PolarHBondContact O-N 3.33Å
408C35.6Very low45Very low114 Ų114128.1 Ų128.177%0.7769%0.689SS**  trans-61.295.1154-94.40000105.6H406 V410H406-C408 PolarHBondContact O-N 2.87Å; C408-V410 VanDerWaalsContact C-N 3.31Å; C408-V410 PolarHBondContact O-N 3.06Å
409C36.3Very low43Very low107 Ų107136.1 Ų136.172%0.72373%0.729SS**  trans-61.4102.6159.5-68.70000106.2K407 V411K407-C409 PolarHBondContact O-N 3.33Å; C409-V411 PolarHBondContact O-N 3.41Å; C409-V411 VanDerWaalsContact O-N 3.15Å
410V36.3Very low41.5Very low124 Ų124143.9 Ų143.975%0.75276%0.757SS**  trans-68.8104.2160.3-175.50000105C408 Q412C408-V410 VanDerWaalsContact C-N 3.31Å; C408-V410 PolarHBondContact O-N 3.06Å; V410-Q412 HydrophobicContact CG1-CG 4.34Å; V410-Q412 PolarHBondContact O-N 2.99Å
411V39.2Very low39.8Very low134 Ų134145.8 Ų145.881%0.81278%0.776SS**  trans-76.4108.6163-1730000104.7C409C409-V411 PolarHBondContact O-N 3.41Å; C409-V411 VanDerWaalsContact O-N 3.15Å
412Q38.7Very low38.9Very low249 Ų249150.3 Ų150.3100%1.16479%0.79SS**  trans-82.90161.8-88.1-174.5-27.400109.3V410V410-Q412 HydrophobicContact CG1-CG 4.34Å; V410-Q412 PolarHBondContact O-N 2.99Å

Retrieved 412 of 412 residues in 603.6 ms (Link to these results)

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