A0A077Z559_TRITR Loading...

Type I inositol 1,4,5 trisphosphate

AlphaFold DB , UniProt , Accession A0A077Z559, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 379 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
1M49.9Very low81.8Confident233 Ų23378.1 Ų78.1100%1.14838%0.375SS*.  0123.10-79.3178-78.300105.4D3M1-D3 PolarHBondContact O-N 2.81Å
2E53.9Low83.2Confident187 Ų18771.7 Ų71.787%0.87435%0.345SS*.  trans-52135.2174.1-79.5174.6157.600108.9V4E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.8Å
3D65.1Low84.4Confident125 Ų12566.2 Ų66.267%0.66832%0.318SS*.  trans-68.794178.2-86.4-37.9000108.5M1 Q5 K379M1-D3 PolarHBondContact O-N 2.81Å; D3-Q5 PolarHBondContact O-N 3.37Å; D3-K379 HydrophobicContact CB-CD 4.46Å; D3-K379 VanDerWaalsContact CG-NZ 3.26Å; D3-K379 IonicContact OD1-NZ 3.84Å; D3-K379 PolarHBondContact OD1-NZ 2.79Å
4V69.6Low85.4Confident57 Ų5761.5 Ų61.535%0.34530%0.296SS..  trans-58.6107.7174.2179.90000108.3E2 Y6 F155 K379E2-V4 VanDerWaalsContact C-N 3.31Å; E2-V4 PolarHBondContact O-N 2.8Å; V4-Y6 WeakPolarHBondContact CG1-O 3.33Å; V4-F155 HydrophobicContact CB-CE1 4.5Å; V4-F155 HydrophobicContact CG1-CE1 4.23Å; V4-F155 HydrophobicContact CG1-CZ 4.48Å; V4-K379 WeakPolarHBondContact O-CD 3.46Å; V4-K379 WeakPolarHBondContact O-CE 3.34Å; V4-K379 WeakPolarHBondContact O-CG 3.39Å
5Q85.4Confident86.2Confident110 Ų11057.7 Ų57.751%0.51428%0.278SS..  trans-89-28.4177.3-72.11771.200111.9D3 W377 V378D3-Q5 PolarHBondContact O-N 3.37Å; Q5-W377 WeakPolarHBondContact O-CA 3.36Å; Q5-V378 PolarHBondContact O-N 3.29Å
6Y91.8Very high86.9Confident94 Ų9454.1 Ų54.137%0.36926%0.26SS..EExtended strand (participates in β ladder)trans-129.6142.3-176.5-65.5-86.1000111.1V4 Q344 T375 I376 W377V4-Y6 WeakPolarHBondContact CG1-O 3.33Å; Y6-Q344 HydrophobicContact CD1-CB 3.95Å; Y6-Q344 HydrophobicContact CD1-CG 4.33Å; Y6-Q344 HydrophobicContact CE1-CB 3.72Å; Y6-Q344 HydrophobicContact CE1-CG 3.89Å; Y6-T375 HydrophobicContact CD1-CG2 4.13Å; Y6-T375 HydrophobicContact CG-CG2 4.17Å; Y6-I376 CarbonylContact C-O 3.4Å; Y6-I376 VanDerWaalsContact CA-O 3.28Å; Y6-I376 WeakPolarHBondContact CA-O 3.15Å; Y6-W377 HydrophobicContact CD1-CB 4Å; Y6-W377 HydrophobicContact CE1-CB 3.71Å; Y6-W377 HydrophobicContact CE1-CG 4.27Å; Y6-W377 AromaticContact CZ-CD1 3.95Å
7A93.5Very high87.4Confident2 Ų251.1 Ų51.12%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-123.9133.1178.200000110.2M9 V44 F155 T375 I376 V378A7-M9 HydrophobicContact CB-CE 4.06Å; A7-V44 HydrophobicContact CB-CG2 3.79Å; A7-F155 HydrophobicContact CB-CD2 4.18Å; A7-F155 HydrophobicContact CB-CE2 3.52Å; A7-F155 HydrophobicContact CB-CZ 4.13Å; A7-T375 WeakPolarHBondContact O-CA 3.1Å; A7-I376 PolarHBondContact N-O 3.14Å; A7-I376 PolarHBondContact O-N 3.21Å; A7-V378 HydrophobicContact CB-CG1 3.88Å; A7-V378 HydrophobicContact CB-CG2 4.14Å
8R95.3Very high87.8Confident48 Ų4849.3 Ų49.318%0.18124%0.238CC..EExtended strand (participates in β ladder)trans-82.7125.4173-169.767.8160.6179.1-0.3109.2Q41 P43 V44 S351 T375R8-Q41 HydrophobicContact CG-CB 4.39Å; R8-Q41 WeakPolarHBondContact CG-O 3.22Å; R8-P43 HydrophobicContact CG-CB 4.39Å; R8-P43 CarbonylContact O-C 3.47Å; R8-P43 VanDerWaalsContact O-CA 3.23Å; R8-P43 WeakPolarHBondContact O-CA 3.25Å; R8-P43 VanDerWaalsContact O-CB 3.25Å; R8-P43 WeakPolarHBondContact O-CB 3.42Å; R8-V44 PolarHBondContact O-N 2.81Å; R8-S351 VanDerWaalsContact CZ-O 3.26Å; R8-S351 PolarHBondContact NH1-O 3.02Å; R8-S351 PolarHBondContact NH2-O 2.76Å; R8-T375 WeakPolarHBondContact CD-OG1 3.48Å; R8-T375 PolarHBondContact NH1-OG1 2.86Å
9M97.8Very high88.3Confident0 Ų046.7 Ų46.70%023%0.225CC..EExtended strand (participates in β ladder)trans-130.5149.8178.6-56.2-171.5-177.200110.9A7 F11 F45 L154 F159 A374 I376 V378A7-M9 HydrophobicContact CB-CE 4.06Å; M9-F11 HydrophobicContact CB-CE1 4.03Å; M9-F11 HydrophobicContact CB-CE2 3.99Å; M9-F11 HydrophobicContact CB-CZ 3.43Å; M9-F11 VanDerWaalsContact CB-CZ 3.43Å; M9-F11 HydrophobicContact CG-CZ 4.32Å; M9-F11 HydrophobicContact SD-CE1 4.49Å; M9-F11 HydrophobicContact SD-CZ 3.99Å; M9-F45 VanDerWaalsContact CA-O 3.31Å; M9-F45 WeakPolarHBondContact CA-O 3.44Å; M9-F45 HydrophobicContact CG-CB 4.19Å; M9-F45 HydrophobicContact SD-CB 4.39Å; M9-L154 HydrophobicContact CE-CB 4.29Å; M9-L154 HydrophobicContact CE-CD1 3.68Å; M9-L154 HydrophobicContact SD-CD1 4.12Å; M9-F159 HydrophobicContact CE-CE1 4.3Å; M9-F159 HydrophobicContact CE-CE2 4.08Å; M9-F159 HydrophobicContact CE-CZ 3.85Å; M9-F159 HydrophobicContact SD-CE1 4.26Å; M9-F159 HydrophobicContact SD-CZ 4.41Å; M9-A374 PolarHBondContact N-O 2.78Å; M9-A374 PolarHBondContact O-N 2.84Å; M9-I376 HydrophobicContact CB-CD1 4.16Å; M9-I376 HydrophobicContact CG-CD1 4.14Å; M9-I376 HydrophobicContact SD-CD1 3.74Å; M9-V378 HydrophobicContact CE-CG1 4.34Å
10V98.5Very high88.6Confident0 Ų046.2 Ų46.20%023%0.228CC..EExtended strand (participates in β ladder)trans-124.5133.2179.2177.80000109.4I12 I38 Q41 P43 F45 A46 A47 I373V10-I12 HydrophobicContact CG1-CD1 4.16Å; V10-I12 HydrophobicContact CG1-CG1 4.03Å; V10-I38 HydrophobicContact CG1-CG1 4Å; V10-Q41 HydrophobicContact CG2-CB 3.92Å; V10-Q41 HydrophobicContact CG2-CG 4.04Å; V10-P43 HydrophobicContact CB-CG 4.4Å; V10-P43 HydrophobicContact CG2-CB 3.85Å; V10-P43 HydrophobicContact CG2-CG 3.75Å; V10-F45 PolarHBondContact N-O 2.97Å; V10-F45 VanDerWaalsContact N-O 3.1Å; V10-A46 HydrophobicContact CB-CB 4.14Å; V10-A46 CarbonylContact O-C 3.41Å; V10-A46 WeakPolarHBondContact O-CA 3.25Å; V10-A47 PolarHBondContact O-N 2.82Å; V10-I373 HydrophobicContact CG1-CG1 4.34Å; V10-I373 HydrophobicContact CG2-CG1 4.19Å; V10-I373 HydrophobicContact CG2-CG2 4.11Å
11F98.7Very high88.9Confident3 Ų351.6 Ų51.61%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-126.5127177.3-44.8-69.9000108.3M9 F45 A47 F161 I208 I333 T371 L372 A374 I376M9-F11 HydrophobicContact CB-CE1 4.03Å; M9-F11 HydrophobicContact CB-CE2 3.99Å; M9-F11 HydrophobicContact CB-CZ 3.43Å; M9-F11 VanDerWaalsContact CB-CZ 3.43Å; M9-F11 HydrophobicContact CG-CZ 4.32Å; M9-F11 HydrophobicContact SD-CE1 4.49Å; M9-F11 HydrophobicContact SD-CZ 3.99Å; F11-F45 HydrophobicContact CE1-CD1 4.24Å; F11-F45 HydrophobicContact CE1-CE1 4.35Å; F11-A47 CarbonylContact C-O 3.56Å; F11-A47 WeakPolarHBondContact CA-O 3.33Å; F11-A47 HydrophobicContact CD1-CB 4.06Å; F11-F161 HydrophobicContact CD1-CD1 4.32Å; F11-F161 AromaticContact CD1-CE1 3.96Å; F11-F161 HydrophobicContact CD1-CE1 3.96Å; F11-F161 HydrophobicContact CE1-CD1 4.23Å; F11-F161 AromaticContact CE1-CE1 3.43Å; F11-F161 HydrophobicContact CE1-CE1 3.43Å; F11-F161 VanDerWaalsContact CE1-CE1 3.43Å; F11-F161 HydrophobicContact CE1-CZ 4.21Å; F11-F161 HydrophobicContact CZ-CE1 4.29Å; F11-I208 HydrophobicContact CD1-CD1 3.51Å; F11-I208 HydrophobicContact CD2-CD1 3.5Å; F11-I208 HydrophobicContact CE1-CD1 3.33Å; F11-I208 HydrophobicContact CE2-CD1 3.28Å; F11-I208 HydrophobicContact CG-CD1 3.6Å; F11-I208 HydrophobicContact CZ-CD1 3.18Å; F11-I333 HydrophobicContact CB-CD1 4.15Å; F11-I333 HydrophobicContact CB-CG2 4.38Å; F11-I333 WeakPolarHBondContact O-CD1 3.19Å; F11-T371 CarbonylContact O-C 3.56Å; F11-T371 VanDerWaalsContact O-CA 3.29Å; F11-T371 WeakPolarHBondContact O-CA 3.41Å; F11-L372 HydrophobicContact CB-CB 4.34Å; F11-L372 HydrophobicContact CD2-CB 4.23Å; F11-L372 HydrophobicContact CD2-CD2 4Å; F11-L372 HydrophobicContact CD2-CG 4.19Å; F11-L372 WeakPolarHBondContact CD2-O 3.27Å; F11-L372 PolarHBondContact N-O 3.48Å; F11-L372 PolarHBondContact O-N 3.42Å; F11-A374 HydrophobicContact CE2-CB 4.49Å; F11-I376 HydrophobicContact CE2-CD1 4.12Å; F11-I376 HydrophobicContact CZ-CD1 3.99Å
12I98.8Very high91Very high1 Ų142.8 Ų42.81%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-125135.7-178.9-65.4177.2000108.9V10 V34 I38 A47 V48 H49 V358 P369 V370V10-I12 HydrophobicContact CG1-CD1 4.16Å; V10-I12 HydrophobicContact CG1-CG1 4.03Å; I12-V34 HydrophobicContact CD1-CG1 3.96Å; I12-I38 HydrophobicContact CD1-CD1 4.04Å; I12-I38 HydrophobicContact CD1-CG1 3.71Å; I12-A47 PolarHBondContact N-O 2.86Å; I12-V48 HydrophobicContact CB-CG1 4.36Å; I12-V48 HydrophobicContact CB-CG2 4.41Å; I12-V48 HydrophobicContact CG2-CG1 4.25Å; I12-H49 PolarHBondContact O-N 3.45Å; I12-V358 HydrophobicContact CD1-CG2 4.36Å; I12-P369 HydrophobicContact CG2-CB 3.84Å; I12-V370 CarbonylContact C-O 3.52Å; I12-V370 VanDerWaalsContact CA-O 3.26Å; I12-V370 WeakPolarHBondContact CA-O 3.35Å
13S98.6Very high92.9Very high0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-122.6130.3172.1-168.80000109.8H49 Q51 G211 P369 V370S13-H49 CarbonylContact C-O 3.57Å; S13-H49 WeakPolarHBondContact CA-O 3.25Å; S13-Q51 PolarHBondContact OG-OE1 2.84Å; S13-G211 VanDerWaalsContact OG-CA 3.24Å; S13-G211 WeakPolarHBondContact OG-CA 3.33Å; S13-G211 PolarHBondContact OG-N 3.1Å; S13-G211 PolarHBondContact OG-O 3.08Å; S13-P369 CarbonylContact O-C 3.6Å; S13-P369 VanDerWaalsContact O-CA 3.31Å; S13-P369 WeakPolarHBondContact O-CA 3.25Å; S13-V370 PolarHBondContact N-O 2.88Å; S13-V370 PolarHBondContact O-N 2.99Å
14A98.2Very high94.3Very high1 Ų137 Ų371%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-144.3129-178.400000113I16 W30 H49 L50 Q51 P369A14-I16 HydrophobicContact CB-CG2 4.18Å; A14-W30 HydrophobicContact CB-CZ2 3.69Å; A14-H49 PolarHBondContact N-O 3.12Å; A14-L50 HydrophobicContact CB-CD2 4.17Å; A14-L50 CarbonylContact O-C 3.57Å; A14-L50 WeakPolarHBondContact O-CA 3.43Å; A14-Q51 PolarHBondContact O-N 2.8Å; A14-Q51 PolarHBondContact O-OE1 2.67Å; A14-P369 HydrophobicContact CB-CB 3.87Å; A14-P369 HydrophobicContact CB-CG 3.93Å
15N97.3Very high95.5Very high4 Ų440.8 Ų40.82%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-84.1111.8162.8-179.2-5.8000109.7S17 Q51 Y212N15-S17 PolarHBondContact ND2-OG 2.73Å; N15-S17 WeakPolarHBondContact OD1-CB 3.35Å; N15-S17 PolarHBondContact OD1-N 3.28Å; N15-S17 PolarHBondContact OD1-OG 3.21Å; N15-Q51 WeakPolarHBondContact CA-O 3.25Å; N15-Q51 PolarHBondContact OD1-O 2.91Å; N15-Y212 HydrophobicContact CB-CD1 4.49Å; N15-Y212 HydrophobicContact CB-CD2 3.67Å; N15-Y212 HydrophobicContact CB-CE2 3.84Å; N15-Y212 HydrophobicContact CB-CG 4.04Å; N15-Y212 WeakPolarHBondContact ND2-CD1 3.47Å; N15-Y212 WeakPolarHBondContact ND2-CE1 3.37Å
16I97.4Very high95.8Very high0 Ų036.3 Ų36.30%018%0.181CC..  trans-99.37.3-175.758.4166.8000113.5A14 F18 L19 A20 W30 L50 Q51 L53 F62 I66A14-I16 HydrophobicContact CB-CG2 4.18Å; I16-F18 PolarHBondContact O-N 2.95Å; I16-L19 HydrophobicContact CB-CB 4.29Å; I16-L19 HydrophobicContact CB-CD2 4.48Å; I16-L19 HydrophobicContact CG2-CD2 4.22Å; I16-L19 WeakPolarHBondContact O-CB 3.43Å; I16-L19 PolarHBondContact O-N 3.05Å; I16-A20 PolarHBondContact O-N 2.87Å; I16-W30 HydrophobicContact CG2-CH2 4.3Å; I16-W30 HydrophobicContact CG2-CZ2 3.94Å; I16-L50 HydrophobicContact CD1-CB 3.99Å; I16-L50 HydrophobicContact CD1-CD1 4.07Å; I16-L50 HydrophobicContact CD1-CG 4.47Å; I16-L50 HydrophobicContact CG1-CB 4.35Å; I16-L50 HydrophobicContact CG2-CD2 4.02Å; I16-Q51 WeakPolarHBondContact CG1-O 3.41Å; I16-Q51 PolarHBondContact N-O 2.87Å; I16-L53 HydrophobicContact CD1-CD1 4.34Å; I16-L53 HydrophobicContact CD1-CD2 3.6Å; I16-L53 HydrophobicContact CD1-CG 3.89Å; I16-L53 HydrophobicContact CG1-CD2 4.3Å; I16-L53 HydrophobicContact CG1-CG 4.29Å; I16-F62 HydrophobicContact CB-CE1 4.45Å; I16-F62 HydrophobicContact CD1-CE1 4.07Å; I16-F62 HydrophobicContact CG1-CE1 4.49Å; I16-I66 HydrophobicContact CD1-CD1 4.33Å
17S96.1Very high96.1Very high4 Ų433 Ų333%0.02817%0.169CC..THydrogen-bonded Turntrans-62.3-28.4176.460.20000113.5N15 G52N15-S17 PolarHBondContact ND2-OG 2.73Å; N15-S17 WeakPolarHBondContact OD1-CB 3.35Å; N15-S17 PolarHBondContact OD1-N 3.28Å; N15-S17 PolarHBondContact OD1-OG 3.21Å; S17-G52 VanDerWaalsContact CB-O 3.31Å; S17-G52 WeakPolarHBondContact CB-O 3.45Å
18F94.8Very high96.2Very high19 Ų1938.5 Ų38.58%0.08319%0.194CC..THydrogen-bonded Turntrans-80.9-40.4176-58.4-79000111.5I16 A20 K21 F306 E366I16-F18 PolarHBondContact O-N 2.95Å; F18-A20 PolarHBondContact O-N 3.34Å; F18-A20 VanDerWaalsContact O-N 3.16Å; F18-K21 WeakPolarHBondContact O-CB 3.44Å; F18-K21 PolarHBondContact O-N 2.93Å; F18-F306 HydrophobicContact CE1-CD1 4.16Å; F18-F306 AromaticContact CE1-CE1 3.98Å; F18-F306 HydrophobicContact CE1-CE1 3.98Å; F18-F306 HydrophobicContact CE2-CD1 4.49Å; F18-F306 AromaticContact CE2-CE1 4Å; F18-F306 HydrophobicContact CE2-CE1 4Å; F18-F306 AromaticContact CZ-CD1 4Å; F18-F306 HydrophobicContact CZ-CD1 4Å; F18-F306 AromaticContact CZ-CE1 3.43Å; F18-F306 HydrophobicContact CZ-CE1 3.43Å; F18-F306 VanDerWaalsContact CZ-CE1 3.43Å; F18-E366 HydrophobicContact CB-CB 3.99Å; F18-E366 HydrophobicContact CD1-CB 4.13Å; F18-E366 HydrophobicContact CD1-CG 3.95Å; F18-E366 WeakPolarHBondContact CD1-OE2 3.34Å; F18-E366 HydrophobicContact CE1-CG 4.43Å; F18-E366 HydrophobicContact CG-CB 4.15Å; F18-E366 HydrophobicContact CG-CG 4.3Å
19L96.5Very high96.2Very high0 Ų038.3 Ų38.30%020%0.2CC..G310 helixtrans-56.3-33.8178.3-170.764.4000112.5I16 K21 E22 I27 W30 F62 I66I16-L19 HydrophobicContact CB-CB 4.29Å; I16-L19 HydrophobicContact CB-CD2 4.48Å; I16-L19 HydrophobicContact CG2-CD2 4.22Å; I16-L19 WeakPolarHBondContact O-CB 3.43Å; I16-L19 PolarHBondContact O-N 3.05Å; L19-K21 PolarHBondContact O-N 3.34Å; L19-K21 VanDerWaalsContact O-N 3.15Å; L19-E22 HydrophobicContact CD1-CG 4.46Å; L19-E22 WeakPolarHBondContact O-CB 3.19Å; L19-E22 PolarHBondContact O-N 2.85Å; L19-E22 VanDerWaalsContact O-N 3.15Å; L19-I27 HydrophobicContact CD1-CG1 4.07Å; L19-I27 HydrophobicContact CG-CG1 4.12Å; L19-W30 HydrophobicContact CD1-CB 3.8Å; L19-W30 HydrophobicContact CD1-CG 3.88Å; L19-W30 HydrophobicContact CD2-CB 4.24Å; L19-W30 HydrophobicContact CD2-CD2 3.61Å; L19-W30 HydrophobicContact CD2-CE3 3.93Å; L19-W30 HydrophobicContact CD2-CG 3.73Å; L19-W30 HydrophobicContact CG-CG 4.47Å; L19-F62 HydrophobicContact CB-CZ 4.32Å; L19-F62 HydrophobicContact CD2-CZ 4.47Å; L19-F62 HydrophobicContact CG-CZ 4.26Å; L19-I66 HydrophobicContact CD2-CD1 4.02Å
20A95.4Very high96.2Very high35 Ų3538.3 Ų38.329%0.28920%0.201SC..G310 helixtrans-65.4-12.4177.500000114.9I16 F18 V56 F62I16-A20 PolarHBondContact O-N 2.87Å; F18-A20 PolarHBondContact O-N 3.34Å; F18-A20 VanDerWaalsContact O-N 3.16Å; A20-V56 HydrophobicContact CB-CB 4.21Å; A20-V56 HydrophobicContact CB-CG1 3.62Å; A20-V56 HydrophobicContact CB-CG2 3.65Å; A20-F62 HydrophobicContact CB-CD1 4.11Å; A20-F62 HydrophobicContact CB-CD2 4.26Å; A20-F62 HydrophobicContact CB-CE1 3.71Å; A20-F62 HydrophobicContact CB-CE2 3.91Å; A20-F62 HydrophobicContact CB-CG 4.35Å; A20-F62 HydrophobicContact CB-CZ 3.59Å
21K94.1Very high96.1Very high161 Ų16138.5 Ų38.570%0.720%0.202SC*.G310 helixtrans-102.7-4.3178.6-57.3176-175.1173.80112.6F18 L19F18-K21 WeakPolarHBondContact O-CB 3.44Å; F18-K21 PolarHBondContact O-N 2.93Å; L19-K21 PolarHBondContact O-N 3.34Å; L19-K21 VanDerWaalsContact O-N 3.15Å
22E94.6Very high96.1Very high47 Ų4741.5 Ų41.522%0.2222%0.218CC..SBendtrans-84.1170.9-178-61.7-63.2157.600111.9L19 C26 Y363L19-E22 HydrophobicContact CD1-CG 4.46Å; L19-E22 WeakPolarHBondContact O-CB 3.19Å; L19-E22 PolarHBondContact O-N 2.85Å; L19-E22 VanDerWaalsContact O-N 3.15Å; E22-C26 HydrophobicContact CB-CB 3.79Å; E22-C26 HydrophobicContact CG-CB 4.46Å; E22-Y363 PolarHBondContact OE1-OH 2.79Å
23S93.7Very high96Very high58 Ų5842.4 Ų42.441%0.40623%0.225SC..  trans-73.7161.3172.482.30000112.2E25 C26 I27S23-E25 VanDerWaalsContact CB-OE2 3.22Å; S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.36Å; S23-E25 PolarHBondContact OG-OE2 3.43Å; S23-C26 WeakPolarHBondContact O-CB 3.34Å; S23-C26 PolarHBondContact O-N 2.98Å; S23-C26 VanDerWaalsContact O-N 3.07Å; S23-C26 PolarHBondContact OG-N 2.78Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 3.07Å
24D94.5Very high96Very high133 Ų13342.4 Ų42.471%0.71123%0.225SC*.Hα-helixtrans-57.6-36.6177.1-71.2-23.6000112.1C26 I27 E28D24-C26 VanDerWaalsContact C-N 3.34Å; D24-C26 PolarHBondContact O-N 3.11Å; D24-I27 PolarHBondContact O-N 3.17Å; D24-E28 WeakPolarHBondContact O-CB 3.2Å; D24-E28 PolarHBondContact O-N 2.87Å
25E93.4Very high96Very high137 Ų13742.4 Ų42.464%0.6423%0.225SC*.Hα-helixtrans-65.8-37.2177.1-57.483.4-179.200112.3S23 E28 S29S23-E25 VanDerWaalsContact CB-OE2 3.22Å; S23-E25 WeakPolarHBondContact CB-OE2 3.47Å; S23-E25 PolarHBondContact O-N 3.36Å; S23-E25 PolarHBondContact OG-OE2 3.43Å; E25-E28 PolarHBondContact O-N 2.88Å; E25-S29 WeakPolarHBondContact O-CB 3.27Å; E25-S29 PolarHBondContact O-N 2.75Å
26C93.7Very high96Very high15 Ų1547.3 Ų47.310%0.10125%0.246CC..Hα-helixtrans-68.8-41.3176.5-169.60000110.6E22 S23 D24 E28 S29 W30 I364E22-C26 HydrophobicContact CB-CB 3.79Å; E22-C26 HydrophobicContact CG-CB 4.46Å; S23-C26 WeakPolarHBondContact O-CB 3.34Å; S23-C26 PolarHBondContact O-N 2.98Å; S23-C26 VanDerWaalsContact O-N 3.07Å; S23-C26 PolarHBondContact OG-N 2.78Å; D24-C26 VanDerWaalsContact C-N 3.34Å; D24-C26 PolarHBondContact O-N 3.11Å; C26-E28 PolarHBondContact O-N 2.73Å; C26-S29 WeakPolarHBondContact O-CB 3.36Å; C26-S29 PolarHBondContact O-N 3.46Å; C26-W30 WeakPolarHBondContact O-CB 3.41Å; C26-W30 PolarHBondContact O-N 3.09Å; C26-I364 VanDerWaalsContact SG-C 3.58Å; C26-I364 PolarHBondContact SG-O 2.95Å; C26-I364 VanDerWaalsContact SG-O 3.41Å
27I96.4Very high96Very high24 Ų2449 Ų4912%0.12325%0.254CS..Hα-helixtrans-60.4-44.8173.3-63.3167.6000110.9L19 S23 D24 W30 I31 F62L19-I27 HydrophobicContact CD1-CG1 4.07Å; L19-I27 HydrophobicContact CG-CG1 4.12Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 3.07Å; D24-I27 PolarHBondContact O-N 3.17Å; I27-W30 WeakPolarHBondContact O-CB 3.14Å; I27-W30 PolarHBondContact O-N 3.47Å; I27-I31 HydrophobicContact CG2-CD1 3.96Å; I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 3.21Å; I27-F62 HydrophobicContact CD1-CE2 4.12Å
28E96Very high96.1Very high118 Ų11848.8 Ų48.855%0.55125%0.253SS*.Hα-helixtrans-63-43.8176.4-171.1-179.6174.500111.4D24 E25 C26 W30 I31 N32D24-E28 WeakPolarHBondContact O-CB 3.2Å; D24-E28 PolarHBondContact O-N 2.87Å; E25-E28 PolarHBondContact O-N 2.88Å; C26-E28 PolarHBondContact O-N 2.73Å; E28-W30 VanDerWaalsContact C-N 3.34Å; E28-W30 PolarHBondContact O-N 3.22Å; E28-I31 PolarHBondContact O-N 3.3Å; E28-N32 WeakPolarHBondContact O-CB 3.17Å; E28-N32 PolarHBondContact O-N 3.28Å; E28-N32 PolarHBondContact O-ND2 3Å
29S95.3Very high96.2Very high44 Ų4448.6 Ų48.631%0.30825%0.254SS..Hα-helixtrans-58.6-44.1175.6-171.20000112E25 C26 N32 A33E25-S29 WeakPolarHBondContact O-CB 3.27Å; E25-S29 PolarHBondContact O-N 2.75Å; C26-S29 WeakPolarHBondContact O-CB 3.36Å; C26-S29 PolarHBondContact O-N 3.46Å; S29-N32 PolarHBondContact O-N 2.9Å; S29-A33 WeakPolarHBondContact O-CB 3.2Å; S29-A33 PolarHBondContact O-N 2.97Å
30W97.4Very high96.2Very high1 Ų152.9 Ų52.90%0.00428%0.277CS..Hα-helixtrans-60.2-47.2175.1-173.6100.7000112.1A14 I16 L19 C26 I27 E28 N32 A33 V34 L50 I66 I364 P369A14-W30 HydrophobicContact CB-CZ2 3.69Å; I16-W30 HydrophobicContact CG2-CH2 4.3Å; I16-W30 HydrophobicContact CG2-CZ2 3.94Å; L19-W30 HydrophobicContact CD1-CB 3.8Å; L19-W30 HydrophobicContact CD1-CG 3.88Å; L19-W30 HydrophobicContact CD2-CB 4.24Å; L19-W30 HydrophobicContact CD2-CD2 3.61Å; L19-W30 HydrophobicContact CD2-CE3 3.93Å; L19-W30 HydrophobicContact CD2-CG 3.73Å; L19-W30 HydrophobicContact CG-CG 4.47Å; C26-W30 WeakPolarHBondContact O-CB 3.41Å; C26-W30 PolarHBondContact O-N 3.09Å; I27-W30 WeakPolarHBondContact O-CB 3.14Å; I27-W30 PolarHBondContact O-N 3.47Å; E28-W30 VanDerWaalsContact C-N 3.34Å; E28-W30 PolarHBondContact O-N 3.22Å; W30-N32 VanDerWaalsContact C-N 3.34Å; W30-N32 PolarHBondContact O-N 2.96Å; W30-A33 PolarHBondContact O-N 2.97Å; W30-V34 HydrophobicContact CD2-CG2 4.02Å; W30-V34 HydrophobicContact CE3-CG2 4.02Å; W30-V34 HydrophobicContact CH2-CG2 3.77Å; W30-V34 HydrophobicContact CZ2-CG2 3.78Å; W30-V34 HydrophobicContact CZ3-CB 4.33Å; W30-V34 HydrophobicContact CZ3-CG2 3.9Å; W30-V34 WeakPolarHBondContact O-CG2 3.38Å; W30-V34 PolarHBondContact O-N 3.29Å; W30-L50 HydrophobicContact CH2-CD2 3.94Å; W30-L50 HydrophobicContact CZ2-CD2 4.46Å; W30-I66 HydrophobicContact CZ3-CG2 4.39Å; W30-I364 HydrophobicContact CB-CB 4.4Å; W30-P369 HydrophobicContact CZ2-CG 3.73Å; W30-P369 VanDerWaalsContact NE1-CG 3.25Å
31I98Very high96.1Very high4 Ų453.9 Ų53.92%0.02128%0.276CS..Hα-helixtrans-63.1-42.6179.4-69.1167.9000110.7I27 E28 S35 T69 L70I27-I31 HydrophobicContact CG2-CD1 3.96Å; I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 3.21Å; E28-I31 PolarHBondContact O-N 3.3Å; I31-S35 VanDerWaalsContact O-CB 3.24Å; I31-S35 WeakPolarHBondContact O-CB 3.25Å; I31-S35 PolarHBondContact O-N 3.33Å; I31-S35 PolarHBondContact O-OG 3.39Å; I31-T69 HydrophobicContact CD1-CG2 3.82Å; I31-T69 HydrophobicContact CG2-CG2 4.01Å; I31-L70 HydrophobicContact CG2-CD2 3.92Å; I31-L70 HydrophobicContact CG2-CG 4.26Å
32N97.5Very high96.1Very high66 Ų6654 Ų5435%0.35328%0.276SS..Hα-helixtrans-61.9-45.7176.6-73-27.9000111E28 S29 W30 S35 K36 H73E28-N32 WeakPolarHBondContact O-CB 3.17Å; E28-N32 PolarHBondContact O-N 3.28Å; E28-N32 PolarHBondContact O-ND2 3Å; S29-N32 PolarHBondContact O-N 2.9Å; W30-N32 VanDerWaalsContact C-N 3.34Å; W30-N32 PolarHBondContact O-N 2.96Å; N32-S35 PolarHBondContact O-N 3.13Å; N32-K36 WeakPolarHBondContact O-CB 3.33Å; N32-K36 PolarHBondContact O-N 3.03Å; N32-H73 PolarHBondContact OD1-NE2 2.88Å
33A97.5Very high96.2Very high20 Ų2052 Ų5217%0.16527%0.267CS..Hα-helixtrans-62.4-48.1179.600000111.7S29 W30 K36 E37 V358 I364S29-A33 WeakPolarHBondContact O-CB 3.2Å; S29-A33 PolarHBondContact O-N 2.97Å; W30-A33 PolarHBondContact O-N 2.97Å; A33-K36 PolarHBondContact O-N 3.28Å; A33-E37 WeakPolarHBondContact O-CB 3.48Å; A33-E37 PolarHBondContact O-N 2.95Å; A33-V358 HydrophobicContact CB-CG1 3.9Å; A33-I364 HydrophobicContact CB-CD1 4.24Å
34V98.3Very high96.4Very high0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-62.4-46.1177.11690000111.6I12 W30 K36 E37 I38 L70 V358 P369I12-V34 HydrophobicContact CD1-CG1 3.96Å; W30-V34 HydrophobicContact CD2-CG2 4.02Å; W30-V34 HydrophobicContact CE3-CG2 4.02Å; W30-V34 HydrophobicContact CH2-CG2 3.77Å; W30-V34 HydrophobicContact CZ2-CG2 3.78Å; W30-V34 HydrophobicContact CZ3-CB 4.33Å; W30-V34 HydrophobicContact CZ3-CG2 3.9Å; W30-V34 WeakPolarHBondContact O-CG2 3.38Å; W30-V34 PolarHBondContact O-N 3.29Å; V34-K36 VanDerWaalsContact C-N 3.35Å; V34-K36 PolarHBondContact O-N 3.3Å; V34-E37 PolarHBondContact O-N 2.59Å; V34-I38 HydrophobicContact CG1-CD1 4.15Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.12Å; V34-I38 VanDerWaalsContact O-N 3.16Å; V34-L70 HydrophobicContact CG1-CD2 4.38Å; V34-V358 HydrophobicContact CG2-CG1 4.05Å; V34-P369 HydrophobicContact CG2-CG 4.06Å
35S98.3Very high96.5Very high0 Ų044.2 Ų44.20%022%0.222CC..Hα-helixtrans-63.8-42.7-179.1-59.20000111.7I31 N32 I38 S39 H73I31-S35 VanDerWaalsContact O-CB 3.24Å; I31-S35 WeakPolarHBondContact O-CB 3.25Å; I31-S35 PolarHBondContact O-N 3.33Å; I31-S35 PolarHBondContact O-OG 3.39Å; N32-S35 PolarHBondContact O-N 3.13Å; S35-I38 PolarHBondContact O-N 3.22Å; S35-S39 WeakPolarHBondContact O-CB 3.45Å; S35-S39 PolarHBondContact O-N 2.93Å; S35-S39 PolarHBondContact O-OG 3.1Å; S35-H73 VanDerWaalsContact CB-CE1 3.47Å; S35-H73 WeakPolarHBondContact CB-CE1 3.26Å; S35-H73 WeakPolarHBondContact CB-ND1 3.49Å
36K97Very high96.8Very high107 Ų10737.7 Ų37.747%0.46519%0.191SC..Hα-helixtrans-66-43.3178.1-178.7168.7172.951.10112.2N32 A33 V34 I38 S39 D40N32-K36 WeakPolarHBondContact O-CB 3.33Å; N32-K36 PolarHBondContact O-N 3.03Å; A33-K36 PolarHBondContact O-N 3.28Å; V34-K36 VanDerWaalsContact C-N 3.35Å; V34-K36 PolarHBondContact O-N 3.3Å; K36-I38 PolarHBondContact O-N 3.09Å; K36-S39 WeakPolarHBondContact CA-OG 3.35Å; K36-S39 PolarHBondContact O-N 2.76Å; K36-S39 PolarHBondContact O-OG 2.85Å; K36-D40 WeakPolarHBondContact CE-OD2 3.42Å; K36-D40 IonicContact NZ-OD1 3.48Å; K36-D40 PolarHBondContact NZ-OD1 2.97Å; K36-D40 IonicContact NZ-OD2 2.75Å; K36-D40 PolarHBondContact NZ-OD2 3.13Å; K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 3.39Å
37E97.4Very high97Very high35 Ų3537.1 Ų37.116%0.16419%0.188CC..Hα-helixtrans-56.1-41.6176-171.167.6-139.800111.1A33 V34 Q41 V358 T371 I373A33-E37 WeakPolarHBondContact O-CB 3.48Å; A33-E37 PolarHBondContact O-N 2.95Å; V34-E37 PolarHBondContact O-N 2.59Å; E37-Q41 WeakPolarHBondContact O-CG 3.37Å; E37-V358 HydrophobicContact CB-CG1 4.17Å; E37-V358 HydrophobicContact CB-CG2 4.45Å; E37-V358 HydrophobicContact CG-CG2 4.09Å; E37-T371 HydrophobicContact CG-CG2 4.09Å; E37-I373 WeakPolarHBondContact OE1-CD1 3.21Å
38I98Very high97.1Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-68.4-53.1176-64.5166.3000110.5V10 I12 V34 S35 K36 D40 Q41 P43 A46 V48 L76 F79V10-I38 HydrophobicContact CG1-CG1 4Å; I12-I38 HydrophobicContact CD1-CD1 4.04Å; I12-I38 HydrophobicContact CD1-CG1 3.71Å; V34-I38 HydrophobicContact CG1-CD1 4.15Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.12Å; V34-I38 VanDerWaalsContact O-N 3.16Å; S35-I38 PolarHBondContact O-N 3.22Å; K36-I38 PolarHBondContact O-N 3.09Å; I38-D40 PolarHBondContact O-N 2.71Å; I38-Q41 PolarHBondContact O-N 3.49Å; I38-P43 HydrophobicContact CG2-CG 4Å; I38-P43 WeakPolarHBondContact O-CD 3.28Å; I38-A46 HydrophobicContact CD1-CB 4.4Å; I38-A46 HydrophobicContact CG1-CB 4.38Å; I38-A46 HydrophobicContact CG2-CB 3.75Å; I38-V48 HydrophobicContact CD1-CG2 3.78Å; I38-L76 HydrophobicContact CB-CD2 3.86Å; I38-L76 HydrophobicContact CD1-CD2 4.08Å; I38-L76 HydrophobicContact CG2-CD2 3.71Å; I38-F79 HydrophobicContact CG2-CE2 3.72Å; I38-F79 HydrophobicContact CG2-CZ 3.74Å
39S97.1Very high97.3Very high16 Ų1630.5 Ų30.511%0.11216%0.156CC..Hα-helixtrans-68.3-36-169.466.70000113.9S35 K36 Q41 K42 D75S35-S39 WeakPolarHBondContact O-CB 3.45Å; S35-S39 PolarHBondContact O-N 2.93Å; S35-S39 PolarHBondContact O-OG 3.1Å; K36-S39 WeakPolarHBondContact CA-OG 3.35Å; K36-S39 PolarHBondContact O-N 2.76Å; K36-S39 PolarHBondContact O-OG 2.85Å; S39-Q41 PolarHBondContact O-N 3.12Å; S39-Q41 VanDerWaalsContact O-N 3.15Å; S39-K42 PolarHBondContact O-N 2.93Å; S39-D75 WeakPolarHBondContact CB-O 3.39Å; S39-D75 WeakPolarHBondContact OG-CB 3.21Å
40D95.6Very high97.4Very high90 Ų9028.4 Ų28.448%0.48114%0.142SC..Hα-helixtrans-61-27.1-178.5-79.70.9000111.5K36 I38K36-D40 WeakPolarHBondContact CE-OD2 3.42Å; K36-D40 IonicContact NZ-OD1 3.48Å; K36-D40 PolarHBondContact NZ-OD1 2.97Å; K36-D40 IonicContact NZ-OD2 2.75Å; K36-D40 PolarHBondContact NZ-OD2 3.13Å; K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 3.39Å; I38-D40 PolarHBondContact O-N 2.71Å
41Q94.5Very high97.4Very high56 Ų5628.4 Ų28.426%0.26214%0.141SC..THydrogen-bonded Turntrans-83.5-12.6178.5-52.7-55.8-3900113.6R8 V10 E37 I38 S39 I373R8-Q41 HydrophobicContact CG-CB 4.39Å; R8-Q41 WeakPolarHBondContact CG-O 3.22Å; V10-Q41 HydrophobicContact CG2-CB 3.92Å; V10-Q41 HydrophobicContact CG2-CG 4.04Å; E37-Q41 WeakPolarHBondContact O-CG 3.37Å; I38-Q41 PolarHBondContact O-N 3.49Å; S39-Q41 PolarHBondContact O-N 3.12Å; S39-Q41 VanDerWaalsContact O-N 3.15Å; Q41-I373 HydrophobicContact CB-CG2 4.19Å; Q41-I373 HydrophobicContact CG-CD1 3.48Å; Q41-I373 VanDerWaalsContact CG-CD1 3.48Å; Q41-I373 HydrophobicContact CG-CG1 4.19Å; Q41-I373 HydrophobicContact CG-CG2 3.78Å
42K94.3Very high97.4Very high164 Ų16428.3 Ų28.371%0.71314%0.142SC*.  trans4651-173.7-57.1175.2-177174.20113.5S39 M78S39-K42 PolarHBondContact O-N 2.93Å; K42-M78 HydrophobicContact CB-CE 4.18Å
43P96.9Very high97.4Very high3 Ų325.2 Ų25.22%0.01913%0.125CC..  trans-74.9158.8-174.535.4-37.8000111.2R8 V10 I38 F79R8-P43 HydrophobicContact CG-CB 4.39Å; R8-P43 CarbonylContact O-C 3.47Å; R8-P43 VanDerWaalsContact O-CA 3.23Å; R8-P43 WeakPolarHBondContact O-CA 3.25Å; R8-P43 VanDerWaalsContact O-CB 3.25Å; R8-P43 WeakPolarHBondContact O-CB 3.42Å; V10-P43 HydrophobicContact CB-CG 4.4Å; V10-P43 HydrophobicContact CG2-CB 3.85Å; V10-P43 HydrophobicContact CG2-CG 3.75Å; I38-P43 HydrophobicContact CG2-CG 4Å; I38-P43 WeakPolarHBondContact O-CD 3.28Å; P43-F79 HydrophobicContact CG-CE1 4.28Å; P43-F79 HydrophobicContact CG-CZ 3.78Å; P43-F79 WeakPolarHBondContact O-CE1 3.49Å
44V96.6Very high97.2Very high29 Ų2927 Ų2718%0.17613%0.13CC..SBendtrans-86.8-17.1171.5-60.20000112.5A7 R8 S100 A103 F155A7-V44 HydrophobicContact CB-CG2 3.79Å; R8-V44 PolarHBondContact O-N 2.81Å; V44-S100 PolarHBondContact O-N 3.03Å; V44-A103 HydrophobicContact CB-CB 4.41Å; V44-A103 HydrophobicContact CG2-CB 4.37Å; V44-F155 HydrophobicContact CB-CZ 4.44Å; V44-F155 HydrophobicContact CG1-CZ 4.45Å; V44-F155 HydrophobicContact CG2-CE2 3.75Å; V44-F155 HydrophobicContact CG2-CZ 3.97Å
45F98.2Very high97.1Very high0 Ų033 Ų330%015%0.153CC..EExtended strand (participates in β ladder)trans-148.2136178.8-175.9-90.6000110M9 V10 F11 A47 Y97 F98 V99 W152 L154 F161M9-F45 VanDerWaalsContact CA-O 3.31Å; M9-F45 WeakPolarHBondContact CA-O 3.44Å; M9-F45 HydrophobicContact CG-CB 4.19Å; M9-F45 HydrophobicContact SD-CB 4.39Å; V10-F45 PolarHBondContact N-O 2.97Å; V10-F45 VanDerWaalsContact N-O 3.1Å; F11-F45 HydrophobicContact CE1-CD1 4.24Å; F11-F45 HydrophobicContact CE1-CE1 4.35Å; F45-A47 HydrophobicContact CE1-CB 4.04Å; F45-Y97 HydrophobicContact CE1-CD1 4.09Å; F45-Y97 HydrophobicContact CE2-CD1 4.36Å; F45-Y97 AromaticContact CZ-CD1 3.49Å; F45-Y97 HydrophobicContact CZ-CD1 3.49Å; F45-Y97 VanDerWaalsContact CZ-CD1 3.49Å; F45-Y97 HydrophobicContact CZ-CE1 4.26Å; F45-Y97 HydrophobicContact CZ-CG 4.17Å; F45-F98 CarbonylContact C-O 3.55Å; F45-F98 WeakPolarHBondContact CA-O 3.24Å; F45-V99 HydrophobicContact CD2-CB 4Å; F45-V99 HydrophobicContact CD2-CG2 3.79Å; F45-V99 HydrophobicContact CE2-CB 4.48Å; F45-V99 HydrophobicContact CE2-CG2 4.5Å; F45-W152 AromaticContact CE2-CD2 3.94Å; F45-W152 HydrophobicContact CE2-CD2 3.94Å; F45-W152 AromaticContact CE2-CE3 3.92Å; F45-W152 HydrophobicContact CE2-CE3 3.92Å; F45-W152 HydrophobicContact CE2-CH2 4.28Å; F45-W152 HydrophobicContact CE2-CZ2 4.33Å; F45-W152 HydrophobicContact CE2-CZ3 4.08Å; F45-W152 HydrophobicContact CZ-CD2 4.27Å; F45-L154 HydrophobicContact CB-CD1 4.08Å; F45-L154 HydrophobicContact CD1-CD1 4.15Å; F45-L154 HydrophobicContact CD2-CD1 3.7Å; F45-L154 HydrophobicContact CD2-CD2 3.9Å; F45-L154 HydrophobicContact CD2-CG 4.47Å; F45-L154 HydrophobicContact CE2-CD1 4.12Å; F45-L154 HydrophobicContact CE2-CD2 4.25Å; F45-L154 HydrophobicContact CG-CD1 3.71Å; F45-F161 HydrophobicContact CD1-CZ 4.03Å; F45-F161 HydrophobicContact CE1-CD2 4.3Å; F45-F161 AromaticContact CE1-CE1 3.8Å; F45-F161 HydrophobicContact CE1-CE1 3.8Å; F45-F161 AromaticContact CE1-CE2 3.54Å; F45-F161 HydrophobicContact CE1-CE2 3.54Å; F45-F161 AromaticContact CE1-CZ 3.25Å; F45-F161 HydrophobicContact CE1-CZ 3.25Å; F45-F161 HydrophobicContact CE2-CE2 4.38Å; F45-F161 HydrophobicContact CZ-CD2 4.08Å; F45-F161 HydrophobicContact CZ-CE1 4.48Å; F45-F161 AromaticContact CZ-CE2 3.39Å; F45-F161 HydrophobicContact CZ-CE2 3.39Å; F45-F161 AromaticContact CZ-CZ 3.64Å; F45-F161 HydrophobicContact CZ-CZ 3.64Å
46A98.5Very high96.9Very high0 Ų033.7 Ų33.70%016%0.157CC..EExtended strand (participates in β ladder)trans-133135.1170.100000111.2V10 I38 F79 Y97 F98V10-A46 HydrophobicContact CB-CB 4.14Å; V10-A46 CarbonylContact O-C 3.41Å; V10-A46 WeakPolarHBondContact O-CA 3.25Å; I38-A46 HydrophobicContact CD1-CB 4.4Å; I38-A46 HydrophobicContact CG1-CB 4.38Å; I38-A46 HydrophobicContact CG2-CB 3.75Å; A46-F79 HydrophobicContact CB-CZ 3.97Å; A46-Y97 CarbonylContact O-C 3.56Å; A46-Y97 VanDerWaalsContact O-CA 3.31Å; A46-Y97 WeakPolarHBondContact O-CA 3.22Å; A46-F98 HydrophobicContact CB-CB 4.35Å; A46-F98 PolarHBondContact N-O 3.37Å; A46-F98 PolarHBondContact O-N 2.94Å
47A98.7Very high96.7Very high3 Ų337.4 Ų37.43%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-111.4131.2170.400000110V10 F11 I12 F45 I96 Y97V10-A47 PolarHBondContact O-N 2.82Å; F11-A47 CarbonylContact C-O 3.56Å; F11-A47 WeakPolarHBondContact CA-O 3.33Å; F11-A47 HydrophobicContact CD1-CB 4.06Å; I12-A47 PolarHBondContact N-O 2.86Å; F45-A47 HydrophobicContact CE1-CB 4.04Å; A47-I96 CarbonylContact C-O 3.52Å; A47-I96 WeakPolarHBondContact CA-O 3.47Å; A47-Y97 HydrophobicContact CB-CD1 3.61Å; A47-Y97 HydrophobicContact CB-CE1 3.6Å
48V98.7Very high96.6Very high0 Ų041.7 Ų41.70%020%0.2CC..EExtended strand (participates in β ladder)trans-121.6109.1173.9-172.90000107.8I12 I38 L50 I96 F98I12-V48 HydrophobicContact CB-CG1 4.36Å; I12-V48 HydrophobicContact CB-CG2 4.41Å; I12-V48 HydrophobicContact CG2-CG1 4.25Å; I38-V48 HydrophobicContact CD1-CG2 3.78Å; V48-L50 HydrophobicContact CG1-CD2 3.83Å; V48-L50 HydrophobicContact CG1-CG 4.44Å; V48-I96 HydrophobicContact CB-CB 4.32Å; V48-I96 PolarHBondContact N-O 3.47Å; V48-I96 PolarHBondContact O-N 3.38Å; V48-F98 HydrophobicContact CG2-CD2 4.45Å; V48-F98 HydrophobicContact CG2-CE2 4.08Å
49H98.8Very high96.5Very high3 Ų343.8 Ų43.81%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-100.7120.8178.7-72.3-177.1000109.4I12 S13 A14 Q51 S95 Y97 N163 A210I12-H49 PolarHBondContact O-N 3.45Å; S13-H49 CarbonylContact C-O 3.57Å; S13-H49 WeakPolarHBondContact CA-O 3.25Å; A14-H49 PolarHBondContact N-O 3.12Å; H49-Q51 VanDerWaalsContact C-NE2 3.31Å; H49-Q51 PolarHBondContact O-NE2 3.36Å; H49-S95 PolarHBondContact CD2-OG 2.82Å; H49-S95 VanDerWaalsContact CD2-OG 3.31Å; H49-S95 PolarHBondContact NE2-OG 3.35Å; H49-Y97 AromaticContact NE2-CE1 3.74Å; H49-Y97 AromaticContact NE2-CZ 3.69Å; H49-Y97 PolarHBondContact NE2-OH 2.73Å; H49-N163 HydrophobicContact CB-CB 4.22Å; H49-N163 WeakPolarHBondContact ND1-CA 3.34Å; H49-N163 WeakPolarHBondContact ND1-CB 3.49Å; H49-A210 HydrophobicContact CB-CB 4.45Å
50L98.5Very high96.4Very high0 Ų046.2 Ų46.20%023%0.228CC..EExtended strand (participates in β ladder)trans-108.2134.9-179.4-52.3178.2000109.1A14 I16 W30 V48 L63 I93 C94 I96 N163A14-L50 HydrophobicContact CB-CD2 4.17Å; A14-L50 CarbonylContact O-C 3.57Å; A14-L50 WeakPolarHBondContact O-CA 3.43Å; I16-L50 HydrophobicContact CD1-CB 3.99Å; I16-L50 HydrophobicContact CD1-CD1 4.07Å; I16-L50 HydrophobicContact CD1-CG 4.47Å; I16-L50 HydrophobicContact CG1-CB 4.35Å; I16-L50 HydrophobicContact CG2-CD2 4.02Å; W30-L50 HydrophobicContact CH2-CD2 3.94Å; W30-L50 HydrophobicContact CZ2-CD2 4.46Å; V48-L50 HydrophobicContact CG1-CD2 3.83Å; V48-L50 HydrophobicContact CG1-CG 4.44Å; L50-L63 HydrophobicContact CD1-CD1 4.12Å; L50-I93 CarbonylContact O-C 3.56Å; L50-I93 VanDerWaalsContact O-CA 3.26Å; L50-I93 WeakPolarHBondContact O-CA 3.4Å; L50-I93 WeakPolarHBondContact O-CB 3.49Å; L50-C94 HydrophobicContact CB-CB 4.28Å; L50-C94 PolarHBondContact N-O 3.22Å; L50-C94 PolarHBondContact O-N 3.44Å; L50-I96 HydrophobicContact CD1-CD1 3.84Å; L50-N163 PolarHBondContact O-ND2 3.01Å
51Q97.8Very high96.5Very high0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-128.7168.3174.9-53.582.138.400111.4S13 A14 N15 I16 H49 I93 N163S13-Q51 PolarHBondContact OG-OE1 2.84Å; A14-Q51 PolarHBondContact O-N 2.8Å; A14-Q51 PolarHBondContact O-OE1 2.67Å; N15-Q51 WeakPolarHBondContact CA-O 3.25Å; N15-Q51 PolarHBondContact OD1-O 2.91Å; I16-Q51 WeakPolarHBondContact CG1-O 3.41Å; I16-Q51 PolarHBondContact N-O 2.87Å; H49-Q51 VanDerWaalsContact C-NE2 3.31Å; H49-Q51 PolarHBondContact O-NE2 3.36Å; Q51-I93 HydrophobicContact CB-CG2 4.1Å; Q51-I93 HydrophobicContact CG-CG2 3.9Å; Q51-N163 WeakPolarHBondContact CG-OD1 3.48Å; Q51-N163 PolarHBondContact NE2-OD1 3.15Å
52G96.5Very high96.6Very high3 Ų342.9 Ų42.93%0.03122%0.217CC..  trans88.64.8173.400000114.6S17 H54 R55 G92S17-G52 VanDerWaalsContact CB-O 3.31Å; S17-G52 WeakPolarHBondContact CB-O 3.45Å; G52-H54 PolarHBondContact O-N 3.44Å; G52-R55 PolarHBondContact O-N 3.4Å; G52-G92 PolarHBondContact N-O 3.34Å; G52-G92 VanDerWaalsContact N-O 3.17Å
53L97.5Very high96.8Very high0 Ų035.3 Ų35.30%019%0.185CC..G310 helixtrans-61.4-25.4178.7-71.4156.5000112.2I16 R55 V56 D59 F62 L63 L88 G92 C94I16-L53 HydrophobicContact CD1-CD1 4.34Å; I16-L53 HydrophobicContact CD1-CD2 3.6Å; I16-L53 HydrophobicContact CD1-CG 3.89Å; I16-L53 HydrophobicContact CG1-CD2 4.3Å; I16-L53 HydrophobicContact CG1-CG 4.29Å; L53-R55 PolarHBondContact O-N 2.98Å; L53-V56 WeakPolarHBondContact O-CB 3.46Å; L53-V56 PolarHBondContact O-N 3.48Å; L53-D59 HydrophobicContact CB-CB 4.43Å; L53-D59 WeakPolarHBondContact O-CB 3.46Å; L53-F62 HydrophobicContact CD2-CD1 4.19Å; L53-L63 HydrophobicContact CD1-CD1 4.16Å; L53-L63 HydrophobicContact CD1-CD2 4.3Å; L53-L63 HydrophobicContact CD2-CB 4.25Å; L53-L88 HydrophobicContact CB-CD2 3.83Å; L53-L88 HydrophobicContact CD1-CD2 3.72Å; L53-L88 HydrophobicContact CD2-CD2 4.48Å; L53-L88 HydrophobicContact CG-CD2 4.21Å; L53-G92 WeakPolarHBondContact CB-O 3.48Å; L53-G92 PolarHBondContact N-O 3.27Å; L53-C94 HydrophobicContact CD1-CB 4.03Å
54H94.6Very high96.7Very high58 Ų5838 Ų3827%0.26920%0.199SC..G310 helixtrans-63.7-12174.667.4-77.6000114.1G52 D143 P144G52-H54 PolarHBondContact O-N 3.44Å; H54-D143 IonicContact CD2-OD1 3.64Å; H54-D143 IonicContact CE1-OD1 2.81Å; H54-D143 IonicContact NE2-OD1 2.61Å; H54-D143 PolarHBondContact NE2-OD1 3.01Å; H54-P144 HydrophobicContact CB-CG 4.26Å; H54-P144 WeakPolarHBondContact CD2-CD 3.41Å; H54-P144 WeakPolarHBondContact NE2-CD 3.46Å
55R94.6Very high96.7Very high126 Ų12639.8 Ų39.848%0.47521%0.213SC..G310 helixtrans-1051.5174.6-63.5-177.1171.6-163-3.7113.1G52 L53 D143G52-R55 PolarHBondContact O-N 3.4Å; L53-R55 PolarHBondContact O-N 2.98Å; R55-D143 IonicContact CZ-OD1 2.86Å; R55-D143 IonicContact CZ-OD2 3.59Å; R55-D143 IonicContact NE-OD1 3.97Å; R55-D143 PolarHBondContact NE-OD1 2.9Å; R55-D143 IonicContact NE-OD2 3.23Å; R55-D143 IonicContact NH2-OD1 2.63Å; R55-D143 PolarHBondContact NH2-OD1 3.07Å; R55-D143 IonicContact NH2-OD2 3.09Å; R55-D143 PolarHBondContact NH2-OD2 3.08Å
56V96Very high96.6Very high14 Ų1439.8 Ų39.89%0.08521%0.213CC..SBendtrans-95127.1-178.7177.20000109.3A20 L53 N58 D59 F62A20-V56 HydrophobicContact CB-CB 4.21Å; A20-V56 HydrophobicContact CB-CG1 3.62Å; A20-V56 HydrophobicContact CB-CG2 3.65Å; L53-V56 WeakPolarHBondContact O-CB 3.46Å; L53-V56 PolarHBondContact O-N 3.48Å; V56-N58 PolarHBondContact O-N 3.39Å; V56-D59 HydrophobicContact CB-CB 4.26Å; V56-F62 HydrophobicContact CG1-CB 3.84Å; V56-F62 HydrophobicContact CG1-CD1 3.78Å; V56-F62 HydrophobicContact CG1-CG 3.9Å; V56-F62 HydrophobicContact CG2-CD1 4.32Å; V56-F62 HydrophobicContact CG2-CE1 4.48Å
57E92Very high96.4Very high186 Ų18639.9 Ų39.987%0.86921%0.213SC*.THydrogen-bonded Turntrans-68.9131.5169.3-65.4-174.5-17900109.4D59E57-D59 VanDerWaalsContact C-N 3.29Å; E57-D59 PolarHBondContact O-N 3.2Å
58N94.5Very high96.2Very high124 Ų12445.8 Ų45.866%0.66324%0.235SC*.THydrogen-bonded Turntrans57.841.5-176.5-154.211.9000113.1V56 S60 A61 F62V56-N58 PolarHBondContact O-N 3.39Å; N58-S60 VanDerWaalsContact C-N 3.26Å; N58-S60 PolarHBondContact O-N 3.25Å; N58-S60 VanDerWaalsContact O-N 3.12Å; N58-A61 PolarHBondContact O-N 3.38Å; N58-F62 PolarHBondContact O-N 3.23Å; N58-F62 VanDerWaalsContact O-N 3.1Å
59D96.3Very high96Very high44 Ų4448.8 Ų48.824%0.23525%0.253CS..Hα-helixtrans-40.9-43.7179.760.4-6.8000115.2L53 V56 E57 A61 F62 L63 L88L53-D59 HydrophobicContact CB-CB 4.43Å; L53-D59 WeakPolarHBondContact O-CB 3.46Å; V56-D59 HydrophobicContact CB-CB 4.26Å; E57-D59 VanDerWaalsContact C-N 3.29Å; E57-D59 PolarHBondContact O-N 3.2Å; D59-A61 PolarHBondContact O-N 2.8Å; D59-F62 PolarHBondContact O-N 2.96Å; D59-L63 VanDerWaalsContact O-CB 3.31Å; D59-L63 WeakPolarHBondContact O-CB 3.38Å; D59-L63 PolarHBondContact O-N 3.23Å; D59-L88 HydrophobicContact CB-CD2 4.29Å
60S95.9Very high95.9Very high68 Ų6848.6 Ų48.648%0.47625%0.252SS..Hα-helixtrans-64.5-40.8179.7178.30000112.5N58 D64N58-S60 VanDerWaalsContact C-N 3.26Å; N58-S60 PolarHBondContact O-N 3.25Å; N58-S60 VanDerWaalsContact O-N 3.12Å; S60-D64 WeakPolarHBondContact O-CB 3.23Å; S60-D64 PolarHBondContact O-N 2.9Å; S60-D64 VanDerWaalsContact O-N 3.09Å
61A96.5Very high95.6Very high47 Ų4751.1 Ų51.139%0.38826%0.262SS..Hα-helixtrans-72.5-38.4178.400000111.1N58 D59 S65N58-A61 PolarHBondContact O-N 3.38Å; D59-A61 PolarHBondContact O-N 2.8Å; A61-S65 WeakPolarHBondContact O-CB 3.37Å; A61-S65 PolarHBondContact O-N 2.98Å
62F97.6Very high95.4Very high29 Ų2960.6 Ų60.613%0.12730%0.298CS..Hα-helixtrans-63.8-47.3176.1-177-112.3000111.7I16 L19 A20 I27 L53 V56 N58 D59 S65 I66I16-F62 HydrophobicContact CB-CE1 4.45Å; I16-F62 HydrophobicContact CD1-CE1 4.07Å; I16-F62 HydrophobicContact CG1-CE1 4.49Å; L19-F62 HydrophobicContact CB-CZ 4.32Å; L19-F62 HydrophobicContact CD2-CZ 4.47Å; L19-F62 HydrophobicContact CG-CZ 4.26Å; A20-F62 HydrophobicContact CB-CD1 4.11Å; A20-F62 HydrophobicContact CB-CD2 4.26Å; A20-F62 HydrophobicContact CB-CE1 3.71Å; A20-F62 HydrophobicContact CB-CE2 3.91Å; A20-F62 HydrophobicContact CB-CG 4.35Å; A20-F62 HydrophobicContact CB-CZ 3.59Å; I27-F62 HydrophobicContact CD1-CE2 4.12Å; L53-F62 HydrophobicContact CD2-CD1 4.19Å; V56-F62 HydrophobicContact CG1-CB 3.84Å; V56-F62 HydrophobicContact CG1-CD1 3.78Å; V56-F62 HydrophobicContact CG1-CG 3.9Å; V56-F62 HydrophobicContact CG2-CD1 4.32Å; V56-F62 HydrophobicContact CG2-CE1 4.48Å; N58-F62 PolarHBondContact O-N 3.23Å; N58-F62 VanDerWaalsContact O-N 3.1Å; D59-F62 PolarHBondContact O-N 2.96Å; F62-S65 WeakPolarHBondContact O-CB 3.38Å; F62-S65 PolarHBondContact O-N 3.31Å; F62-I66 HydrophobicContact CD1-CD1 4Å; F62-I66 HydrophobicContact CD2-CD1 4.48Å; F62-I66 HydrophobicContact CE1-CD1 3.39Å; F62-I66 HydrophobicContact CE2-CD1 3.92Å; F62-I66 HydrophobicContact CE2-CG1 4.45Å; F62-I66 HydrophobicContact CZ-CD1 3.35Å; F62-I66 HydrophobicContact CZ-CG1 4.33Å; F62-I66 PolarHBondContact O-N 3.19Å; F62-I66 VanDerWaalsContact O-N 3.1Å
63L97.3Very high95.4Very high5 Ų561.4 Ų61.43%0.02630%0.301CS..Hα-helixtrans-59.3-49.4176.3-179.562.9000111.2L50 L53 D59 S65 I66 T67 Y86 L88 C94L50-L63 HydrophobicContact CD1-CD1 4.12Å; L53-L63 HydrophobicContact CD1-CD1 4.16Å; L53-L63 HydrophobicContact CD1-CD2 4.3Å; L53-L63 HydrophobicContact CD2-CB 4.25Å; D59-L63 VanDerWaalsContact O-CB 3.31Å; D59-L63 WeakPolarHBondContact O-CB 3.38Å; D59-L63 PolarHBondContact O-N 3.23Å; L63-S65 VanDerWaalsContact C-N 3.26Å; L63-S65 PolarHBondContact O-N 2.61Å; L63-I66 PolarHBondContact O-N 2.85Å; L63-T67 HydrophobicContact CD1-CG2 3.67Å; L63-T67 HydrophobicContact CG-CG2 4.12Å; L63-T67 WeakPolarHBondContact O-CG2 3.46Å; L63-T67 PolarHBondContact O-N 2.88Å; L63-T67 PolarHBondContact O-OG1 2.8Å; L63-T67 VanDerWaalsContact O-OG1 3.13Å; L63-Y86 HydrophobicContact CD2-CD1 4.41Å; L63-Y86 HydrophobicContact CD2-CG 4.04Å; L63-L88 HydrophobicContact CD2-CD1 4.45Å; L63-L88 HydrophobicContact CD2-CD2 4.12Å; L63-C94 HydrophobicContact CD1-CB 3.96Å; L63-C94 HydrophobicContact CD2-CB 4.13Å
64D96.1Very high95.3Very high59 Ų5968.9 Ų68.932%0.31633%0.334SS..Hα-helixtrans-59.3-36.7179.1179.874000112.2S60 R68S60-D64 WeakPolarHBondContact O-CB 3.23Å; S60-D64 PolarHBondContact O-N 2.9Å; S60-D64 VanDerWaalsContact O-N 3.09Å; D64-R68 VanDerWaalsContact CG-NE 3.26Å; D64-R68 VanDerWaalsContact CG-NH2 3.32Å; D64-R68 VanDerWaalsContact O-CB 3.23Å; D64-R68 WeakPolarHBondContact O-CB 3.38Å; D64-R68 WeakPolarHBondContact O-CD 3.33Å; D64-R68 WeakPolarHBondContact O-CG 3.34Å; D64-R68 PolarHBondContact O-N 2.81Å; D64-R68 VanDerWaalsContact O-N 3.09Å; D64-R68 IonicContact OD1-CZ 2.8Å; D64-R68 IonicContact OD1-NE 3.08Å; D64-R68 PolarHBondContact OD1-NE 3.42Å; D64-R68 IonicContact OD1-NH2 2.99Å; D64-R68 PolarHBondContact OD1-NH2 2.83Å; D64-R68 IonicContact OD2-CZ 2.79Å; D64-R68 IonicContact OD2-NE 3.1Å; D64-R68 PolarHBondContact OD2-NE 3.49Å; D64-R68 VanDerWaalsContact OD2-NE 3.08Å; D64-R68 IonicContact OD2-NH1 2.84Å; D64-R68 PolarHBondContact OD2-NH1 2.86Å; D64-R68 VanDerWaalsContact OD2-NH1 3.1Å; D64-R68 IonicContact OD2-NH2 3.05Å; D64-R68 PolarHBondContact OD2-NH2 2.78Å
65S95.6Very high95.4Very high67 Ų6768.7 Ų68.747%0.46933%0.334SS..Hα-helixtrans-63.4-49.9175-172.70000112A61 F62 L63 T69A61-S65 WeakPolarHBondContact O-CB 3.37Å; A61-S65 PolarHBondContact O-N 2.98Å; F62-S65 WeakPolarHBondContact O-CB 3.38Å; F62-S65 PolarHBondContact O-N 3.31Å; L63-S65 VanDerWaalsContact C-N 3.26Å; L63-S65 PolarHBondContact O-N 2.61Å; S65-T69 WeakPolarHBondContact O-CB 3.31Å; S65-T69 PolarHBondContact O-N 3.1Å; S65-T69 PolarHBondContact O-OG1 3.12Å
66I96.4Very high95.5Very high0 Ų063 Ų630%031%0.313CS..Hα-helixtrans-63.8-50.2-179.9-70.9178.3000110.7I16 L19 W30 F62 L63 T69 L70I16-I66 HydrophobicContact CD1-CD1 4.33Å; L19-I66 HydrophobicContact CD2-CD1 4.02Å; W30-I66 HydrophobicContact CZ3-CG2 4.39Å; F62-I66 HydrophobicContact CD1-CD1 4Å; F62-I66 HydrophobicContact CD2-CD1 4.48Å; F62-I66 HydrophobicContact CE1-CD1 3.39Å; F62-I66 HydrophobicContact CE2-CD1 3.92Å; F62-I66 HydrophobicContact CE2-CG1 4.45Å; F62-I66 HydrophobicContact CZ-CD1 3.35Å; F62-I66 HydrophobicContact CZ-CG1 4.33Å; F62-I66 PolarHBondContact O-N 3.19Å; F62-I66 VanDerWaalsContact O-N 3.1Å; L63-I66 PolarHBondContact O-N 2.85Å; I66-T69 PolarHBondContact O-N 3.03Å; I66-L70 HydrophobicContact CG2-CD1 3.83Å; I66-L70 HydrophobicContact CG2-CG 4.47Å; I66-L70 PolarHBondContact O-N 2.91Å
67T95.1Very high95.4Very high2 Ų267 Ų671%0.01234%0.338CS..Hα-helixtrans-67.1-41.6-173.960.50000112L63 T69 L70 Y71 E84 I96L63-T67 HydrophobicContact CD1-CG2 3.67Å; L63-T67 HydrophobicContact CG-CG2 4.12Å; L63-T67 WeakPolarHBondContact O-CG2 3.46Å; L63-T67 PolarHBondContact O-N 2.88Å; L63-T67 PolarHBondContact O-OG1 2.8Å; L63-T67 VanDerWaalsContact O-OG1 3.13Å; T67-T69 VanDerWaalsContact C-N 3.27Å; T67-T69 PolarHBondContact O-N 2.85Å; T67-L70 PolarHBondContact O-N 2.77Å; T67-Y71 WeakPolarHBondContact O-CD1 3.46Å; T67-Y71 WeakPolarHBondContact O-CD2 3.38Å; T67-Y71 PolarHBondContact O-N 2.86Å; T67-E84 WeakPolarHBondContact CG2-OE1 3.31Å; T67-I96 HydrophobicContact CG2-CD1 3.59Å; T67-I96 HydrophobicContact CG2-CG1 4.41Å
68R94Very high95.5Very high127 Ų12762.1 Ų62.148%0.47932%0.316SS..Hα-helixtrans-59.9-38.5174.4-75.5178-178.9176.19.8112.8D64 R72D64-R68 VanDerWaalsContact CG-NE 3.26Å; D64-R68 VanDerWaalsContact CG-NH2 3.32Å; D64-R68 VanDerWaalsContact O-CB 3.23Å; D64-R68 WeakPolarHBondContact O-CB 3.38Å; D64-R68 WeakPolarHBondContact O-CD 3.33Å; D64-R68 WeakPolarHBondContact O-CG 3.34Å; D64-R68 PolarHBondContact O-N 2.81Å; D64-R68 VanDerWaalsContact O-N 3.09Å; D64-R68 IonicContact OD1-CZ 2.8Å; D64-R68 IonicContact OD1-NE 3.08Å; D64-R68 PolarHBondContact OD1-NE 3.42Å; D64-R68 IonicContact OD1-NH2 2.99Å; D64-R68 PolarHBondContact OD1-NH2 2.83Å; D64-R68 IonicContact OD2-CZ 2.79Å; D64-R68 IonicContact OD2-NE 3.1Å; D64-R68 PolarHBondContact OD2-NE 3.49Å; D64-R68 VanDerWaalsContact OD2-NE 3.08Å; D64-R68 IonicContact OD2-NH1 2.84Å; D64-R68 PolarHBondContact OD2-NH1 2.86Å; D64-R68 VanDerWaalsContact OD2-NH1 3.1Å; D64-R68 IonicContact OD2-NH2 3.05Å; D64-R68 PolarHBondContact OD2-NH2 2.78Å; R68-R72 WeakPolarHBondContact O-CG 3.49Å; R68-R72 PolarHBondContact O-N 2.95Å
69T95.2Very high95.6Very high62 Ų6257.2 Ų57.238%0.3829%0.289SS..Hα-helixtrans-70.3-44.3179.8-54.10000110.4I31 S65 I66 T67 Y71 R72 H73I31-T69 HydrophobicContact CD1-CG2 3.82Å; I31-T69 HydrophobicContact CG2-CG2 4.01Å; S65-T69 WeakPolarHBondContact O-CB 3.31Å; S65-T69 PolarHBondContact O-N 3.1Å; S65-T69 PolarHBondContact O-OG1 3.12Å; I66-T69 PolarHBondContact O-N 3.03Å; T67-T69 VanDerWaalsContact C-N 3.27Å; T67-T69 PolarHBondContact O-N 2.85Å; T69-Y71 PolarHBondContact O-N 3.04Å; T69-R72 PolarHBondContact O-N 3.25Å; T69-H73 PolarHBondContact O-N 2.83Å
70L95.5Very high95.6Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-57.1-46.4172.3-76167.4000112.1I31 V34 I66 T67 R72 H73 L76 I96 F98I31-L70 HydrophobicContact CG2-CD2 3.92Å; I31-L70 HydrophobicContact CG2-CG 4.26Å; V34-L70 HydrophobicContact CG1-CD2 4.38Å; I66-L70 HydrophobicContact CG2-CD1 3.83Å; I66-L70 HydrophobicContact CG2-CG 4.47Å; I66-L70 PolarHBondContact O-N 2.91Å; T67-L70 PolarHBondContact O-N 2.77Å; L70-R72 PolarHBondContact O-N 3.27Å; L70-H73 VanDerWaalsContact O-CB 3.25Å; L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3.18Å; L70-L76 HydrophobicContact CB-CD1 4.37Å; L70-L76 HydrophobicContact CD2-CD1 3.97Å; L70-L76 WeakPolarHBondContact O-CD1 3.35Å; L70-I96 HydrophobicContact CD1-CD1 4.2Å; L70-F98 HydrophobicContact CB-CZ 4.32Å
71Y93.3Very high95.6Very high53 Ų5355.8 Ų55.821%0.20828%0.276CS..Hα-helixtrans-65.9-25.9-176.8-59.4-13.2000113.8T67 T69 V82 E84 I96 F98T67-Y71 WeakPolarHBondContact O-CD1 3.46Å; T67-Y71 WeakPolarHBondContact O-CD2 3.38Å; T67-Y71 PolarHBondContact O-N 2.86Å; T69-Y71 PolarHBondContact O-N 3.04Å; Y71-V82 HydrophobicContact CD1-CG1 3.87Å; Y71-V82 HydrophobicContact CD1-CG2 4.45Å; Y71-V82 HydrophobicContact CE1-CG1 3.48Å; Y71-V82 VanDerWaalsContact CE1-CG1 3.48Å; Y71-E84 WeakPolarHBondContact OH-CB 3.15Å; Y71-E84 WeakPolarHBondContact OH-CG 3.41Å; Y71-E84 PolarHBondContact OH-OE2 3.05Å; Y71-I96 HydrophobicContact CE1-CG2 3.79Å; Y71-F98 HydrophobicContact CD1-CE1 4.02Å; Y71-F98 HydrophobicContact CD1-CZ 4.16Å; Y71-F98 HydrophobicContact CE1-CE1 4.43Å; Y71-F98 HydrophobicContact CE1-CZ 4.25Å
72R92.5Very high95.6Very high198 Ų19854 Ų5475%0.74726%0.261SS*.Hα-helixtrans-97.1-4.3178.5-65.7174-179.3172.51.6112.2R68 T69 L70 K74R68-R72 WeakPolarHBondContact O-CG 3.49Å; R68-R72 PolarHBondContact O-N 2.95Å; T69-R72 PolarHBondContact O-N 3.25Å; L70-R72 PolarHBondContact O-N 3.27Å; R72-K74 PolarHBondContact O-N 2.93Å
73H97Very high95.6Very high21 Ų2153.3 Ų53.310%0.09726%0.257CS..  trans-65124.9-178.2-162.2-85.7000109.4N32 S35 T69 L70 D75 L76 T77N32-H73 PolarHBondContact OD1-NE2 2.88Å; S35-H73 VanDerWaalsContact CB-CE1 3.47Å; S35-H73 WeakPolarHBondContact CB-CE1 3.26Å; S35-H73 WeakPolarHBondContact CB-ND1 3.49Å; T69-H73 PolarHBondContact O-N 2.83Å; L70-H73 VanDerWaalsContact O-CB 3.25Å; L70-H73 WeakPolarHBondContact O-CB 3.41Å; L70-H73 PolarHBondContact O-N 3.18Å; H73-D75 IonicContact CE1-OD2 2.91Å; H73-D75 PolarHBondContact CE1-OD2 2.95Å; H73-D75 WeakPolarHBondContact ND1-CB 3.39Å; H73-D75 PolarHBondContact ND1-N 3.06Å; H73-D75 IonicContact ND1-OD2 3.15Å; H73-D75 PolarHBondContact O-N 3.15Å; H73-L76 HydrophobicContact CB-CD1 4.37Å; H73-L76 HydrophobicContact CB-CG 4.42Å; H73-L76 PolarHBondContact O-N 2.95Å; H73-T77 PolarHBondContact O-N 3.06Å
74K96Very high95.6Very high157 Ų15753.6 Ų53.668%0.68326%0.258SS*.THydrogen-bonded Turntrans-53.1-31.6-175.265.4-179.2178.1179.20113.4R72 L76 T77R72-K74 PolarHBondContact O-N 2.93Å; K74-L76 VanDerWaalsContact C-N 3.29Å; K74-L76 PolarHBondContact O-N 2.8Å; K74-T77 PolarHBondContact O-OG1 2.77Å
75D96.1Very high95.6Very high53 Ų5350.9 Ų50.928%0.28324%0.244SC..THydrogen-bonded Turntrans-78.5-16.7-177.2-65.6-23000112.3S39 H73S39-D75 WeakPolarHBondContact CB-O 3.39Å; S39-D75 WeakPolarHBondContact OG-CB 3.21Å; H73-D75 IonicContact CE1-OD2 2.91Å; H73-D75 PolarHBondContact CE1-OD2 2.95Å; H73-D75 WeakPolarHBondContact ND1-CB 3.39Å; H73-D75 PolarHBondContact ND1-N 3.06Å; H73-D75 IonicContact ND1-OD2 3.15Å; H73-D75 PolarHBondContact O-N 3.15Å
76L96.9Very high95.7Very high6 Ų650 Ų503%0.03123%0.231CC..THydrogen-bonded Turntrans-102.7-2.6179.3-60.2-179.8000113.1I38 L70 H73 K74 M78 F79 F98I38-L76 HydrophobicContact CB-CD2 3.86Å; I38-L76 HydrophobicContact CD1-CD2 4.08Å; I38-L76 HydrophobicContact CG2-CD2 3.71Å; L70-L76 HydrophobicContact CB-CD1 4.37Å; L70-L76 HydrophobicContact CD2-CD1 3.97Å; L70-L76 WeakPolarHBondContact O-CD1 3.35Å; H73-L76 HydrophobicContact CB-CD1 4.37Å; H73-L76 HydrophobicContact CB-CG 4.42Å; H73-L76 PolarHBondContact O-N 2.95Å; K74-L76 VanDerWaalsContact C-N 3.29Å; K74-L76 PolarHBondContact O-N 2.8Å; L76-M78 PolarHBondContact O-N 2.83Å; L76-M78 VanDerWaalsContact O-N 3.08Å; L76-F79 HydrophobicContact CD2-CE2 4.08Å; L76-F79 WeakPolarHBondContact O-CD2 3.3Å; L76-F79 PolarHBondContact O-N 2.86Å; L76-F98 HydrophobicContact CB-CD1 4.44Å; L76-F98 HydrophobicContact CB-CE1 4.22Å; L76-F98 HydrophobicContact CD1-CE1 3.88Å; L76-F98 HydrophobicContact CD1-CE2 4.37Å; L76-F98 HydrophobicContact CD1-CZ 3.76Å
77T93.2Very high95.8Very high99 Ų9950 Ų5061%0.60723%0.231SC*.THydrogen-bonded Turntrans-70.5-2.817763.60000113.7H73 K74 F79H73-T77 PolarHBondContact O-N 3.06Å; K74-T77 PolarHBondContact O-OG1 2.77Å; T77-F79 VanDerWaalsContact C-N 3.26Å
78M93.9Very high95.8Very high84 Ų8450.9 Ų50.941%0.41424%0.235SC..THydrogen-bonded Turntrans-74.3-14.717666.3175.2-75.700113.9K42 L76K42-M78 HydrophobicContact CB-CE 4.18Å; L76-M78 PolarHBondContact O-N 2.83Å; L76-M78 VanDerWaalsContact O-N 3.08Å
79F96.8Very high95.7Very high20 Ų2050.2 Ų50.29%0.08824%0.241CC..  trans-88.2148.4176.6-63.3-81000111.3I38 P43 A46 L76 T77 F98I38-F79 HydrophobicContact CG2-CE2 3.72Å; I38-F79 HydrophobicContact CG2-CZ 3.74Å; P43-F79 HydrophobicContact CG-CE1 4.28Å; P43-F79 HydrophobicContact CG-CZ 3.78Å; P43-F79 WeakPolarHBondContact O-CE1 3.49Å; A46-F79 HydrophobicContact CB-CZ 3.97Å; L76-F79 HydrophobicContact CD2-CE2 4.08Å; L76-F79 WeakPolarHBondContact O-CD2 3.3Å; L76-F79 PolarHBondContact O-N 2.86Å; T77-F79 VanDerWaalsContact C-N 3.26Å; F79-F98 HydrophobicContact CB-CB 4.15Å; F79-F98 HydrophobicContact CD1-CB 3.83Å; F79-F98 HydrophobicContact CD2-CB 3.49Å; F79-F98 VanDerWaalsContact CD2-CB 3.49Å; F79-F98 HydrophobicContact CD2-CD1 4.12Å; F79-F98 HydrophobicContact CD2-CG 4.11Å; F79-F98 HydrophobicContact CE1-CB 3.95Å; F79-F98 HydrophobicContact CE2-CB 3.63Å; F79-F98 HydrophobicContact CE2-CG 4.23Å; F79-F98 HydrophobicContact CG-CB 3.57Å; F79-F98 HydrophobicContact CZ-CB 3.81Å
80D96.1Very high95.6Very high81 Ų8148.8 Ų48.843%0.43323%0.234SC..SBendtrans-87.4-24.2-176.1-62.8-78.8000112.7V99 S100 N101D80-V99 PolarHBondContact N-O 2.85Å; D80-S100 WeakPolarHBondContact OD2-CA 3.08Å; D80-S100 PolarHBondContact OD2-OG 2.83Å; D80-N101 HydrophobicContact CB-CB 4.25Å; D80-N101 VanDerWaalsContact CB-ND2 3.27Å; D80-N101 WeakPolarHBondContact CB-ND2 3.14Å; D80-N101 VanDerWaalsContact CG-ND2 3.35Å; D80-N101 PolarHBondContact OD1-ND2 3.37Å; D80-N101 PolarHBondContact OD2-N 3Å
81A96.3Very high95.7Very high1 Ų148.8 Ų48.81%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-149.6151.8-176.500000112V99 V118 G120A81-V99 HydrophobicContact CB-CG1 3.8Å; A81-V99 PolarHBondContact N-O 3.07Å; A81-V99 VanDerWaalsContact N-O 3.13Å; A81-V99 PolarHBondContact O-N 2.74Å; A81-V118 HydrophobicContact CB-CG1 4.06Å; A81-G120 WeakPolarHBondContact CA-O 3.43Å; A81-G120 WeakPolarHBondContact CB-O 3.4Å
82V96.7Very high95.9Very high11 Ų1146.3 Ų46.37%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-125.6137.5172.8-173.50000110.4Y71 I96 Y97 F98 N121 Y122Y71-V82 HydrophobicContact CD1-CG1 3.87Å; Y71-V82 HydrophobicContact CD1-CG2 4.45Å; Y71-V82 HydrophobicContact CE1-CG1 3.48Å; Y71-V82 VanDerWaalsContact CE1-CG1 3.48Å; V82-I96 HydrophobicContact CG1-CG2 3.99Å; V82-Y97 CarbonylContact C-O 3.55Å; V82-Y97 VanDerWaalsContact CA-O 3.25Å; V82-Y97 WeakPolarHBondContact CA-O 3.36Å; V82-F98 HydrophobicContact CG1-CD1 4.36Å; V82-F98 HydrophobicContact CG1-CE1 4.26Å; V82-F98 HydrophobicContact CG2-CD1 3.66Å; V82-F98 HydrophobicContact CG2-CE1 3.91Å; V82-N121 HydrophobicContact CB-CB 4.46Å; V82-N121 PolarHBondContact N-OD1 2.79Å; V82-N121 WeakPolarHBondContact O-CA 3.41Å; V82-Y122 PolarHBondContact O-N 2.8Å
83R97Very high96.1Very high14 Ų1436.9 Ų36.95%0.05319%0.188CC..EExtended strand (participates in β ladder)trans-122.4121.4171.4-70.8-67.6177.7-86.57.2110I96 Y97 L107 V118 D119 G120 Y122 W152R83-I96 CarbonylContact O-C 3.58Å; R83-I96 WeakPolarHBondContact O-CA 3.48Å; R83-Y97 HydrophobicContact CB-CD2 4.25Å; R83-Y97 PolarHBondContact N-O 2.63Å; R83-Y97 PolarHBondContact O-N 3.23Å; R83-L107 HydrophobicContact CG-CD2 4.29Å; R83-V118 HydrophobicContact CG-CG1 4.03Å; R83-V118 VanDerWaalsContact CZ-CG1 3.47Å; R83-D119 PolarHBondContact NH1-O 2.75Å; R83-D119 VanDerWaalsContact NH2-N 3.11Å; R83-D119 PolarHBondContact NH2-O 3.39Å; R83-D119 IonicContact NH2-OD1 3.38Å; R83-G120 PolarHBondContact NH1-O 3.5Å; R83-Y122 WeakPolarHBondContact CA-O 3.16Å; R83-W152 HydrophobicContact CB-CH2 4.02Å; R83-W152 HydrophobicContact CB-CZ2 4.04Å; R83-W152 HydrophobicContact CG-CH2 3.7Å; R83-W152 HydrophobicContact CG-CZ2 4.14Å
84E97.1Very high96.2Very high10 Ų1035.9 Ų35.95%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-115.8129.6174.9-176.4-170.3-177.200109.3T67 Y71 Y86 S95 I96 Y122 S123 D124T67-E84 WeakPolarHBondContact CG2-OE1 3.31Å; Y71-E84 WeakPolarHBondContact OH-CB 3.15Å; Y71-E84 WeakPolarHBondContact OH-CG 3.41Å; Y71-E84 PolarHBondContact OH-OE2 3.05Å; E84-Y86 HydrophobicContact CG-CD1 4.4Å; E84-S95 WeakPolarHBondContact CA-O 3.01Å; E84-I96 HydrophobicContact CG-CG1 4.32Å; E84-Y122 PolarHBondContact N-O 2.9Å; E84-S123 WeakPolarHBondContact O-CA 3.31Å; E84-S123 WeakPolarHBondContact OE2-CB 3.31Å; E84-S123 PolarHBondContact OE2-OG 3.3Å; E84-D124 PolarHBondContact O-N 2.9Å
85I97.1Very high96.3Very high2 Ų228.4 Ų28.41%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-135.4128.3172.2-46.2174.8000108.1S95 D124 N131 I132 M148 T150I85-S95 PolarHBondContact N-O 3.38Å; I85-S95 PolarHBondContact O-N 2.89Å; I85-D124 WeakPolarHBondContact CA-O 3.27Å; I85-N131 HydrophobicContact CD1-CB 3.94Å; I85-I132 HydrophobicContact CB-CG2 4.2Å; I85-I132 HydrophobicContact CD1-CG2 3.63Å; I85-I132 HydrophobicContact CG1-CG2 4.49Å; I85-I132 HydrophobicContact CG2-CD1 4.25Å; I85-I132 HydrophobicContact CG2-CG2 3.6Å; I85-M148 HydrophobicContact CB-SD 4.46Å; I85-M148 HydrophobicContact CG2-SD 3.99Å; I85-M148 VanDerWaalsContact O-CE 3.23Å; I85-M148 WeakPolarHBondContact O-CE 3.3Å; I85-T150 HydrophobicContact CD1-CG2 3.73Å
86Y97.7Very high96.4Very high50 Ų5025.9 Ų25.920%0.19614%0.138CC..EExtended strand (participates in β ladder)trans-131.9145.9-173.762.1-95.7000113.3L63 E84 L88 D124 S125 H126L63-Y86 HydrophobicContact CD2-CD1 4.41Å; L63-Y86 HydrophobicContact CD2-CG 4.04Å; E84-Y86 HydrophobicContact CG-CD1 4.4Å; Y86-L88 HydrophobicContact CD2-CD1 4.07Å; Y86-L88 HydrophobicContact CD2-CG 3.85Å; Y86-L88 HydrophobicContact CE2-CD1 4.23Å; Y86-L88 HydrophobicContact CE2-CG 4.44Å; Y86-D124 WeakPolarHBondContact CD1-O 3.37Å; Y86-D124 PolarHBondContact N-O 2.89Å; Y86-D124 VanDerWaalsContact N-O 3.11Å; Y86-S125 CarbonylContact O-C 3.59Å; Y86-S125 WeakPolarHBondContact O-CA 3.38Å; Y86-H126 PolarHBondContact O-N 3.11Å
87D97.4Very high96.5Very high0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-124.691.3171.6178.41000108.8D89 S90 L91 G92 I93 H126D87-D89 PolarHBondContact OD1-N 3.04Å; D87-S90 WeakPolarHBondContact OD1-CA 3.33Å; D87-S90 VanDerWaalsContact OD1-CB 3.28Å; D87-S90 WeakPolarHBondContact OD1-CB 3.37Å; D87-S90 PolarHBondContact OD1-N 3.27Å; D87-S90 WeakPolarHBondContact OD2-CB 3.5Å; D87-L91 HydrophobicContact CB-CB 4.5Å; D87-L91 PolarHBondContact OD1-N 3.35Å; D87-L91 WeakPolarHBondContact OD2-CB 3.16Å; D87-L91 WeakPolarHBondContact OD2-CD1 3.45Å; D87-L91 VanDerWaalsContact OD2-CG 3.27Å; D87-L91 WeakPolarHBondContact OD2-CG 3.39Å; D87-L91 PolarHBondContact OD2-N 3.48Å; D87-G92 CarbonylContact O-C 3.54Å; D87-G92 WeakPolarHBondContact O-CA 3.49Å; D87-G92 PolarHBondContact O-N 3.22Å; D87-I93 HydrophobicContact CB-CG1 4.28Å; D87-I93 PolarHBondContact N-O 2.66Å; D87-I93 PolarHBondContact O-N 2.89Å; D87-H126 HydrophobicContact CB-CB 3.87Å; D87-H126 IonicContact OD1-CD2 2.94Å; D87-H126 IonicContact OD1-CE1 3.6Å; D87-H126 PolarHBondContact OD1-CE1 2.76Å; D87-H126 IonicContact OD1-CG 3.97Å; D87-H126 IonicContact OD1-ND1 3.51Å; D87-H126 PolarHBondContact OD1-ND1 3.03Å; D87-H126 IonicContact OD1-NE2 2.71Å
88L95.7Very high96.7Very high19 Ų1921 Ų2110%0.09911%0.108CC..THydrogen-bonded Turntrans-84.8-35.1176.2-64.8179.1000111.7L53 D59 L63 Y86L53-L88 HydrophobicContact CB-CD2 3.83Å; L53-L88 HydrophobicContact CD1-CD2 3.72Å; L53-L88 HydrophobicContact CD2-CD2 4.48Å; L53-L88 HydrophobicContact CG-CD2 4.21Å; D59-L88 HydrophobicContact CB-CD2 4.29Å; L63-L88 HydrophobicContact CD2-CD1 4.45Å; L63-L88 HydrophobicContact CD2-CD2 4.12Å; Y86-L88 HydrophobicContact CD2-CD1 4.07Å; Y86-L88 HydrophobicContact CD2-CG 3.85Å; Y86-L88 HydrophobicContact CE2-CD1 4.23Å; Y86-L88 HydrophobicContact CE2-CG 4.44Å
89D91.4Very high96.9Very high113 Ų11317 Ų1760%0.6049%0.088SC*.THydrogen-bonded Turntrans-75.7-34.2-170.7-52.7-74.9000113.3D87 H126D87-D89 PolarHBondContact OD1-N 3.04Å; D89-H126 IonicContact OD2-CE1 3.17Å
90S94Very high96.9Very high33 Ų3316.8 Ų16.823%0.2319%0.089CC..THydrogen-bonded Turntrans-108.5-45.8-170.5-57.70000113.3D87 P144D87-S90 WeakPolarHBondContact OD1-CA 3.33Å; D87-S90 VanDerWaalsContact OD1-CB 3.28Å; D87-S90 WeakPolarHBondContact OD1-CB 3.37Å; D87-S90 PolarHBondContact OD1-N 3.27Å; D87-S90 WeakPolarHBondContact OD2-CB 3.5Å; S90-P144 VanDerWaalsContact O-CB 3.25Å; S90-P144 WeakPolarHBondContact O-CB 3.25Å
91L97.1Very high96.8Very high0 Ų017.1 Ų17.10%09%0.091CC..THydrogen-bonded Turntrans-119.1-22.4-171.3-66.5177.9000114.8D87 I93 R136 P144 F147 V165D87-L91 HydrophobicContact CB-CB 4.5Å; D87-L91 PolarHBondContact OD1-N 3.35Å; D87-L91 WeakPolarHBondContact OD2-CB 3.16Å; D87-L91 WeakPolarHBondContact OD2-CD1 3.45Å; D87-L91 VanDerWaalsContact OD2-CG 3.27Å; D87-L91 WeakPolarHBondContact OD2-CG 3.39Å; D87-L91 PolarHBondContact OD2-N 3.48Å; L91-I93 HydrophobicContact CB-CD1 4.02Å; L91-I93 HydrophobicContact CB-CG1 3.89Å; L91-I93 HydrophobicContact CB-CG2 4.33Å; L91-I93 HydrophobicContact CD1-CD1 3.75Å; L91-I93 HydrophobicContact CD1-CG1 4.43Å; L91-R136 HydrophobicContact CD2-CB 4.01Å; L91-R136 HydrophobicContact CD2-CG 3.99Å; L91-P144 HydrophobicContact CD2-CB 4.11Å; L91-P144 VanDerWaalsContact O-CG 3.3Å; L91-P144 WeakPolarHBondContact O-CG 3.49Å; L91-F147 WeakPolarHBondContact CD1-O 3.2Å; L91-V165 HydrophobicContact CB-CG1 4.49Å; L91-V165 HydrophobicContact CD2-CG1 4.33Å
92G97Very high96.7Very high0 Ų021.3 Ų21.30%012%0.117CC..  trans67.443-17500000113.1G52 L53 D87G52-G92 PolarHBondContact N-O 3.34Å; G52-G92 VanDerWaalsContact N-O 3.17Å; L53-G92 WeakPolarHBondContact CB-O 3.48Å; L53-G92 PolarHBondContact N-O 3.27Å; D87-G92 CarbonylContact O-C 3.54Å; D87-G92 WeakPolarHBondContact O-CA 3.49Å; D87-G92 PolarHBondContact O-N 3.22Å
93I98Very high96.7Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-130.2152.9-178.266.7179.4000111.8L50 Q51 D87 L91 M148 N163 V165L50-I93 CarbonylContact O-C 3.56Å; L50-I93 VanDerWaalsContact O-CA 3.26Å; L50-I93 WeakPolarHBondContact O-CA 3.4Å; L50-I93 WeakPolarHBondContact O-CB 3.49Å; Q51-I93 HydrophobicContact CB-CG2 4.1Å; Q51-I93 HydrophobicContact CG-CG2 3.9Å; D87-I93 HydrophobicContact CB-CG1 4.28Å; D87-I93 PolarHBondContact N-O 2.66Å; D87-I93 PolarHBondContact O-N 2.89Å; L91-I93 HydrophobicContact CB-CD1 4.02Å; L91-I93 HydrophobicContact CB-CG1 3.89Å; L91-I93 HydrophobicContact CB-CG2 4.33Å; L91-I93 HydrophobicContact CD1-CD1 3.75Å; L91-I93 HydrophobicContact CD1-CG1 4.43Å; I93-M148 HydrophobicContact CD1-CB 3.71Å; I93-M148 HydrophobicContact CG1-CE 4.36Å; I93-N163 HydrophobicContact CD1-CB 4.41Å; I93-V165 HydrophobicContact CG2-CB 4.25Å; I93-V165 HydrophobicContact CG2-CG1 4.1Å
94C98.3Very high96.6Very high0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-140.2140.3176.2175.30000110.4L50 L53 L63 N163L50-C94 HydrophobicContact CB-CB 4.28Å; L50-C94 PolarHBondContact N-O 3.22Å; L50-C94 PolarHBondContact O-N 3.44Å; L53-C94 HydrophobicContact CD1-CB 4.03Å; L63-C94 HydrophobicContact CD1-CB 3.96Å; L63-C94 HydrophobicContact CD2-CB 4.13Å; C94-N163 PolarHBondContact O-ND2 3.25Å
95S98.5Very high96.6Very high0 Ų025.7 Ų25.70%013%0.132CC..EExtended strand (participates in β ladder)trans-119.3123174.5-61.10000110H49 E84 I85 Y97 M148 N163H49-S95 PolarHBondContact CD2-OG 2.82Å; H49-S95 VanDerWaalsContact CD2-OG 3.31Å; H49-S95 PolarHBondContact NE2-OG 3.35Å; E84-S95 WeakPolarHBondContact CA-O 3.01Å; I85-S95 PolarHBondContact N-O 3.38Å; I85-S95 PolarHBondContact O-N 2.89Å; S95-Y97 WeakPolarHBondContact CB-OH 3.47Å; S95-M148 WeakPolarHBondContact OG-CE 3.43Å; S95-N163 WeakPolarHBondContact OG-CB 3.5Å; S95-N163 PolarHBondContact OG-ND2 2.93Å; S95-N163 VanDerWaalsContact OG-ND2 3.15Å
96I98.4Very high96.7Very high0 Ų027.8 Ų27.80%014%0.143CC..EExtended strand (participates in β ladder)trans-115.4129.9179.3-52.3169.7000108A47 V48 L50 T67 L70 Y71 V82 R83 E84 F98A47-I96 CarbonylContact C-O 3.52Å; A47-I96 WeakPolarHBondContact CA-O 3.47Å; V48-I96 HydrophobicContact CB-CB 4.32Å; V48-I96 PolarHBondContact N-O 3.47Å; V48-I96 PolarHBondContact O-N 3.38Å; L50-I96 HydrophobicContact CD1-CD1 3.84Å; T67-I96 HydrophobicContact CG2-CD1 3.59Å; T67-I96 HydrophobicContact CG2-CG1 4.41Å; L70-I96 HydrophobicContact CD1-CD1 4.2Å; Y71-I96 HydrophobicContact CE1-CG2 3.79Å; V82-I96 HydrophobicContact CG1-CG2 3.99Å; R83-I96 CarbonylContact O-C 3.58Å; R83-I96 WeakPolarHBondContact O-CA 3.48Å; E84-I96 HydrophobicContact CG-CG1 4.32Å; I96-F98 HydrophobicContact CB-CE2 4.48Å; I96-F98 HydrophobicContact CG2-CD2 4.21Å; I96-F98 HydrophobicContact CG2-CE2 3.54Å; I96-F98 HydrophobicContact CG2-CZ 3.79Å
97Y98.3Very high96.7Very high1 Ų125.6 Ų25.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-123.2124.9179.7-54.4-77.9000109.7F45 A46 A47 H49 V82 R83 S95 T150 W152 F161F45-Y97 HydrophobicContact CE1-CD1 4.09Å; F45-Y97 HydrophobicContact CE2-CD1 4.36Å; F45-Y97 AromaticContact CZ-CD1 3.49Å; F45-Y97 HydrophobicContact CZ-CD1 3.49Å; F45-Y97 VanDerWaalsContact CZ-CD1 3.49Å; F45-Y97 HydrophobicContact CZ-CE1 4.26Å; F45-Y97 HydrophobicContact CZ-CG 4.17Å; A46-Y97 CarbonylContact O-C 3.56Å; A46-Y97 VanDerWaalsContact O-CA 3.31Å; A46-Y97 WeakPolarHBondContact O-CA 3.22Å; A47-Y97 HydrophobicContact CB-CD1 3.61Å; A47-Y97 HydrophobicContact CB-CE1 3.6Å; H49-Y97 AromaticContact NE2-CE1 3.74Å; H49-Y97 AromaticContact NE2-CZ 3.69Å; H49-Y97 PolarHBondContact NE2-OH 2.73Å; V82-Y97 CarbonylContact C-O 3.55Å; V82-Y97 VanDerWaalsContact CA-O 3.25Å; V82-Y97 WeakPolarHBondContact CA-O 3.36Å; R83-Y97 HydrophobicContact CB-CD2 4.25Å; R83-Y97 PolarHBondContact N-O 2.63Å; R83-Y97 PolarHBondContact O-N 3.23Å; S95-Y97 WeakPolarHBondContact CB-OH 3.47Å; Y97-T150 HydrophobicContact CE2-CG2 3.82Å; Y97-T150 PolarHBondContact OH-OG1 3.31Å; Y97-W152 HydrophobicContact CD1-CZ2 4.38Å; Y97-W152 AromaticContact CD2-CZ2 3.72Å; Y97-W152 HydrophobicContact CD2-CZ2 3.72Å; Y97-W152 HydrophobicContact CE2-CZ2 4.48Å; Y97-W152 AromaticContact CG-CZ2 3.64Å; Y97-W152 HydrophobicContact CG-CZ2 3.64Å; Y97-F161 HydrophobicContact CE1-CB 3.96Å; Y97-F161 AromaticContact CE1-CD2 3.96Å; Y97-F161 HydrophobicContact CE1-CD2 3.96Å; Y97-F161 HydrophobicContact CE1-CG 4.01Å
98F98.2Very high96.6Very high1 Ų127 Ų270%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-104.8130.3171.7-59.2-94.8000108.6F45 A46 V48 L70 Y71 L76 F79 V82 I96F45-F98 CarbonylContact C-O 3.55Å; F45-F98 WeakPolarHBondContact CA-O 3.24Å; A46-F98 HydrophobicContact CB-CB 4.35Å; A46-F98 PolarHBondContact N-O 3.37Å; A46-F98 PolarHBondContact O-N 2.94Å; V48-F98 HydrophobicContact CG2-CD2 4.45Å; V48-F98 HydrophobicContact CG2-CE2 4.08Å; L70-F98 HydrophobicContact CB-CZ 4.32Å; Y71-F98 HydrophobicContact CD1-CE1 4.02Å; Y71-F98 HydrophobicContact CD1-CZ 4.16Å; Y71-F98 HydrophobicContact CE1-CE1 4.43Å; Y71-F98 HydrophobicContact CE1-CZ 4.25Å; L76-F98 HydrophobicContact CB-CD1 4.44Å; L76-F98 HydrophobicContact CB-CE1 4.22Å; L76-F98 HydrophobicContact CD1-CE1 3.88Å; L76-F98 HydrophobicContact CD1-CE2 4.37Å; L76-F98 HydrophobicContact CD1-CZ 3.76Å; F79-F98 HydrophobicContact CB-CB 4.15Å; F79-F98 HydrophobicContact CD1-CB 3.83Å; F79-F98 HydrophobicContact CD2-CB 3.49Å; F79-F98 VanDerWaalsContact CD2-CB 3.49Å; F79-F98 HydrophobicContact CD2-CD1 4.12Å; F79-F98 HydrophobicContact CD2-CG 4.11Å; F79-F98 HydrophobicContact CE1-CB 3.95Å; F79-F98 HydrophobicContact CE2-CB 3.63Å; F79-F98 HydrophobicContact CE2-CG 4.23Å; F79-F98 HydrophobicContact CG-CB 3.57Å; F79-F98 HydrophobicContact CZ-CB 3.81Å; V82-F98 HydrophobicContact CG1-CD1 4.36Å; V82-F98 HydrophobicContact CG1-CE1 4.26Å; V82-F98 HydrophobicContact CG2-CD1 3.66Å; V82-F98 HydrophobicContact CG2-CE1 3.91Å; I96-F98 HydrophobicContact CB-CE2 4.48Å; I96-F98 HydrophobicContact CG2-CD2 4.21Å; I96-F98 HydrophobicContact CG2-CE2 3.54Å; I96-F98 HydrophobicContact CG2-CZ 3.79Å
99V97.6Very high96.6Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-142.2139.9-172.567.70000113.4F45 D80 A81 A103 P105 V118 W152 L154F45-V99 HydrophobicContact CD2-CB 4Å; F45-V99 HydrophobicContact CD2-CG2 3.79Å; F45-V99 HydrophobicContact CE2-CB 4.48Å; F45-V99 HydrophobicContact CE2-CG2 4.5Å; D80-V99 PolarHBondContact N-O 2.85Å; A81-V99 HydrophobicContact CB-CG1 3.8Å; A81-V99 PolarHBondContact N-O 3.07Å; A81-V99 VanDerWaalsContact N-O 3.13Å; A81-V99 PolarHBondContact O-N 2.74Å; V99-A103 HydrophobicContact CG2-CB 4.4Å; V99-P105 HydrophobicContact CG1-CB 4.35Å; V99-P105 HydrophobicContact CG1-CG 4.12Å; V99-P105 HydrophobicContact CG2-CB 3.63Å; V99-P105 HydrophobicContact CG2-CG 3.74Å; V99-V118 HydrophobicContact CG1-CG1 4.19Å; V99-W152 HydrophobicContact CG1-CZ3 4.36Å; V99-L154 HydrophobicContact CG2-CD2 4.39Å
100S96.3Very high96.8Very high17 Ų1723.6 Ų23.612%0.11912%0.12CC..  trans-91.7141.3169.5178.50000111.3V44 D80 T102 A103V44-S100 PolarHBondContact O-N 3.03Å; D80-S100 WeakPolarHBondContact OD2-CA 3.08Å; D80-S100 PolarHBondContact OD2-OG 2.83Å; S100-T102 PolarHBondContact O-N 2.95Å; S100-T102 VanDerWaalsContact O-N 3.12Å; S100-T102 PolarHBondContact OG-N 3.35Å; S100-T102 PolarHBondContact OG-OG1 3.01Å; S100-A103 WeakPolarHBondContact O-CB 3.21Å; S100-A103 PolarHBondContact O-N 3.49Å
101N95.5Very high96.7Very high88 Ų8830.5 Ų30.547%0.47115%0.146SC..G310 helixtrans-57.8-23.7172.6-73.7-27.8000112.8D80 A103 R104D80-N101 HydrophobicContact CB-CB 4.25Å; D80-N101 VanDerWaalsContact CB-ND2 3.27Å; D80-N101 WeakPolarHBondContact CB-ND2 3.14Å; D80-N101 VanDerWaalsContact CG-ND2 3.35Å; D80-N101 PolarHBondContact OD1-ND2 3.37Å; D80-N101 PolarHBondContact OD2-N 3Å; N101-A103 PolarHBondContact O-N 2.91Å; N101-R104 PolarHBondContact O-N 2.94Å
102T94.1Very high96.6Very high89 Ų8934.8 Ų34.855%0.54617%0.169SC..G310 helixtrans-57-32.5173.6-51.80000111.8S100 R104 F155S100-T102 PolarHBondContact O-N 2.95Å; S100-T102 VanDerWaalsContact O-N 3.12Å; S100-T102 PolarHBondContact OG-N 3.35Å; S100-T102 PolarHBondContact OG-OG1 3.01Å; T102-R104 PolarHBondContact O-N 3.15Å; T102-F155 VanDerWaalsContact O-CE1 3.23Å; T102-F155 WeakPolarHBondContact O-CE1 3.47Å
103A95.6Very high96.5Very high0 Ų044.9 Ų44.90%021%0.207CC..G310 helixtrans-75.3-417700000113.9V44 V99 S100 N101 L154 F155V44-A103 HydrophobicContact CB-CB 4.41Å; V44-A103 HydrophobicContact CG2-CB 4.37Å; V99-A103 HydrophobicContact CG2-CB 4.4Å; S100-A103 WeakPolarHBondContact O-CB 3.21Å; S100-A103 PolarHBondContact O-N 3.49Å; N101-A103 PolarHBondContact O-N 2.91Å; A103-L154 HydrophobicContact CB-CD2 4.26Å; A103-F155 VanDerWaalsContact CA-CZ 3.49Å; A103-F155 HydrophobicContact CB-CD2 4.24Å; A103-F155 HydrophobicContact CB-CE2 3.68Å; A103-F155 HydrophobicContact CB-CZ 3.88Å; A103-F155 PolarHBondContact O-N 3.46Å
104R95.8Very high96.4Very high119 Ų11946.5 Ų46.545%0.44922%0.218SC..  trans48.253.8-176.2-60177.4-72.4146.83.8111.8N101 T102 L106 D156N101-R104 PolarHBondContact O-N 2.94Å; T102-R104 PolarHBondContact O-N 3.15Å; R104-L106 PolarHBondContact O-N 2.96Å; R104-D156 IonicContact CZ-OD2 2.8Å; R104-D156 IonicContact NH1-OD1 3.14Å; R104-D156 IonicContact NH1-OD2 3.56Å; R104-D156 PolarHBondContact NH1-OD2 3.16Å; R104-D156 IonicContact NH2-OD2 3.91Å; R104-D156 PolarHBondContact NH2-OD2 3.29Å
105P97.4Very high96.4Very high7 Ų749.4 Ų49.45%0.04523%0.23CC..  trans-68.3128.1-16828.9-36.6000112.7V99 V118 W152 M153 L154V99-P105 HydrophobicContact CG1-CB 4.35Å; V99-P105 HydrophobicContact CG1-CG 4.12Å; V99-P105 HydrophobicContact CG2-CB 3.63Å; V99-P105 HydrophobicContact CG2-CG 3.74Å; P105-V118 HydrophobicContact CB-CB 4.19Å; P105-V118 HydrophobicContact CB-CG2 4.29Å; P105-V118 HydrophobicContact CG-CB 4.08Å; P105-V118 PolarHBondContact O-N 3.17Å; P105-W152 HydrophobicContact CB-CE3 4.26Å; P105-W152 HydrophobicContact CB-CZ3 4.02Å; P105-M153 WeakPolarHBondContact CA-O 3.43Å; P105-L154 HydrophobicContact CB-CD2 4.05Å
106L97.8Very high96.3Very high46 Ų4655.5 Ų55.524%0.24125%0.253CS..EExtended strand (participates in β ladder)trans-116.5139.7163.5-43.3174.6000109.6R104 Y115 R116 P117 W152 M153R104-L106 PolarHBondContact O-N 2.96Å; L106-Y115 HydrophobicContact CB-CD1 4.03Å; L106-Y115 HydrophobicContact CB-CG 4.33Å; L106-R116 CarbonylContact C-O 3.52Å; L106-R116 VanDerWaalsContact CA-O 3.25Å; L106-R116 WeakPolarHBondContact CA-O 3.19Å; L106-P117 HydrophobicContact CD2-CB 4.21Å; L106-P117 HydrophobicContact CD2-CG 4.08Å; L106-W152 CarbonylContact O-C 3.5Å; L106-W152 WeakPolarHBondContact O-CA 3.41Å; L106-M153 HydrophobicContact CB-CB 3.97Å; L106-M153 HydrophobicContact CD1-CB 4.3Å; L106-M153 HydrophobicContact CD1-SD 4.04Å; L106-M153 HydrophobicContact CG-CB 4.31Å; L106-M153 PolarHBondContact N-O 3.29Å; L106-M153 PolarHBondContact O-N 3.15Å
107L97.4Very high96.2Very high4 Ų460.2 Ų60.22%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-109.5132.9175.9-178.557.6000109R83 R116 V118 N131 R151 W152R83-L107 HydrophobicContact CG-CD2 4.29Å; L107-R116 PolarHBondContact N-O 2.96Å; L107-R116 PolarHBondContact O-N 3.01Å; L107-V118 HydrophobicContact CB-CG2 3.63Å; L107-N131 HydrophobicContact CD1-CB 4.25Å; L107-N131 HydrophobicContact CD2-CB 3.63Å; L107-N131 VanDerWaalsContact CD2-CG 3.48Å; L107-N131 HydrophobicContact CG-CB 3.8Å; L107-R151 WeakPolarHBondContact CD1-O 3.5Å; L107-W152 HydrophobicContact CD1-CD2 3.95Å; L107-W152 HydrophobicContact CD1-CG 4.22Å; L107-W152 HydrophobicContact CD1-CZ2 3.94Å; L107-W152 HydrophobicContact CD2-CZ2 4.39Å
108F96.8Very high96.1Very high31 Ų3160.6 Ų60.614%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-72.4132.4-179.9-166.6-106.8000110.8Y110 R113 Y115 N131 R151F108-Y110 AromaticContact CD1-CD1 3.82Å; F108-Y110 HydrophobicContact CD1-CD1 3.82Å; F108-Y110 AromaticContact CD1-CD2 3.86Å; F108-Y110 HydrophobicContact CD1-CD2 3.86Å; F108-Y110 AromaticContact CD1-CE1 3.89Å; F108-Y110 HydrophobicContact CD1-CE1 3.89Å; F108-Y110 AromaticContact CD1-CE2 3.94Å; F108-Y110 HydrophobicContact CD1-CE2 3.94Å; F108-Y110 AromaticContact CD1-CG 3.81Å; F108-Y110 HydrophobicContact CD1-CG 3.81Å; F108-Y110 AromaticContact CD1-CZ 3.95Å; F108-Y110 AromaticContact CE1-CD1 3.74Å; F108-Y110 HydrophobicContact CE1-CD1 3.74Å; F108-Y110 HydrophobicContact CE1-CE1 4.04Å; F108-Y110 AromaticContact CE1-CG 4Å; F108-Y110 HydrophobicContact CE1-CG 4Å; F108-R113 HydrophobicContact CZ-CB 4.31Å; F108-Y115 HydrophobicContact CB-CD1 4.03Å; F108-Y115 HydrophobicContact CB-CE1 3.85Å; F108-Y115 HydrophobicContact CD2-CD1 4.13Å; F108-Y115 AromaticContact CD2-CD2 3.87Å; F108-Y115 HydrophobicContact CD2-CD2 3.87Å; F108-Y115 HydrophobicContact CD2-CE1 4.02Å; F108-Y115 AromaticContact CD2-CE2 3.75Å; F108-Y115 HydrophobicContact CD2-CE2 3.75Å; F108-Y115 HydrophobicContact CD2-CG 4.07Å; F108-Y115 AromaticContact CD2-CZ 3.85Å; F108-Y115 HydrophobicContact CE2-CD2 4.41Å; F108-Y115 HydrophobicContact CE2-CE2 4.24Å; F108-Y115 HydrophobicContact CG-CE1 4.4Å; F108-N131 WeakPolarHBondContact O-CA 3.31Å; F108-N131 PolarHBondContact O-ND2 3.5Å; F108-R151 HydrophobicContact CB-CB 3.67Å; F108-R151 HydrophobicContact CB-CG 3.78Å; F108-R151 VanDerWaalsContact CB-O 3.31Å; F108-R151 WeakPolarHBondContact CB-O 3.47Å; F108-R151 HydrophobicContact CG-CB 4.29Å; F108-R151 HydrophobicContact CG-CG 4.2Å; F108-R151 PolarHBondContact N-O 2.9Å
109D96Very high95.5Very high14 Ų1466.5 Ų66.58%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-99.7108.8169.3-179.6-33.8000108K111 N112 R113 S114 R116 S130D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.1Å; D109-K111 WeakPolarHBondContact OD1-CA 3.03Å; D109-K111 WeakPolarHBondContact OD1-CB 3.25Å; D109-K111 PolarHBondContact OD1-N 3.02Å; D109-N112 HydrophobicContact CB-CB 4.28Å; D109-N112 PolarHBondContact O-N 3.28Å; D109-N112 PolarHBondContact OD1-N 2.89Å; D109-N112 PolarHBondContact OD2-ND2 2.78Å; D109-R113 WeakPolarHBondContact O-CA 3.23Å; D109-R113 PolarHBondContact O-N 2.82Å; D109-S114 WeakPolarHBondContact CB-O 3.32Å; D109-S114 PolarHBondContact N-O 3.31Å; D109-S114 PolarHBondContact O-N 3.47Å; D109-R116 HydrophobicContact CB-CG 4.23Å; D109-S130 CarbonylContact C-O 3.52Å; D109-S130 VanDerWaalsContact CG-OG 3.26Å; D109-S130 WeakPolarHBondContact OD1-CB 3.13Å; D109-S130 PolarHBondContact OD1-OG 2.84Å; D109-S130 PolarHBondContact OD2-OG 2.89Å
110Y94.3Very high95.1Very high46 Ų4668.5 Ų68.518%0.1834%0.338CS..THydrogen-bonded Turntrans-68.7-28.6-178.5-72.1-91.7000112.8F108 S130 I132 D133 M149 R151F108-Y110 AromaticContact CD1-CD1 3.82Å; F108-Y110 HydrophobicContact CD1-CD1 3.82Å; F108-Y110 AromaticContact CD1-CD2 3.86Å; F108-Y110 HydrophobicContact CD1-CD2 3.86Å; F108-Y110 AromaticContact CD1-CE1 3.89Å; F108-Y110 HydrophobicContact CD1-CE1 3.89Å; F108-Y110 AromaticContact CD1-CE2 3.94Å; F108-Y110 HydrophobicContact CD1-CE2 3.94Å; F108-Y110 AromaticContact CD1-CG 3.81Å; F108-Y110 HydrophobicContact CD1-CG 3.81Å; F108-Y110 AromaticContact CD1-CZ 3.95Å; F108-Y110 AromaticContact CE1-CD1 3.74Å; F108-Y110 HydrophobicContact CE1-CD1 3.74Å; F108-Y110 HydrophobicContact CE1-CE1 4.04Å; F108-Y110 AromaticContact CE1-CG 4Å; F108-Y110 HydrophobicContact CE1-CG 4Å; Y110-S130 PolarHBondContact N-O 3.32Å; Y110-I132 WeakPolarHBondContact CD2-O 3.41Å; Y110-I132 VanDerWaalsContact CE2-C 3.45Å; Y110-D133 HydrophobicContact CD1-CB 4.21Å; Y110-D133 HydrophobicContact CE1-CB 3.75Å; Y110-D133 HydrophobicContact CE2-CB 4.49Å; Y110-M149 WeakPolarHBondContact OH-CE 3.36Å; Y110-R151 WeakPolarHBondContact OH-CB 3.24Å
111K93Very high94.9Very high178 Ų17872.7 Ų72.777%0.77436%0.359SS*.THydrogen-bonded Turntrans-70.6-44.5177.5-177.8179.9179.3177.90111D109D109-K111 VanDerWaalsContact C-N 3.31Å; D109-K111 PolarHBondContact O-N 3.1Å; D109-K111 WeakPolarHBondContact OD1-CA 3.03Å; D109-K111 WeakPolarHBondContact OD1-CB 3.25Å; D109-K111 PolarHBondContact OD1-N 3.02Å
112N94.8Very high94.8Very high90 Ų9073.4 Ų73.448%0.48136%0.356SS..THydrogen-bonded Turntrans-90.7-9.6179.6-67.9-46.1000113.5D109 S114D109-N112 HydrophobicContact CB-CB 4.28Å; D109-N112 PolarHBondContact O-N 3.28Å; D109-N112 PolarHBondContact OD1-N 2.89Å; D109-N112 PolarHBondContact OD2-ND2 2.78Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.21Å
113R94Very high94.8Very high211 Ų21171.7 Ų71.780%0.79635%0.347SS*.THydrogen-bonded Turntrans52.845.9-176.2-58.6-178.2175.8-173.1-3.3113F108 D109F108-R113 HydrophobicContact CZ-CB 4.31Å; D109-R113 WeakPolarHBondContact O-CA 3.23Å; D109-R113 PolarHBondContact O-N 2.82Å
114S96.2Very high94.6Very high35 Ų3572 Ų7225%0.24535%0.349CS..EExtended strand (participates in β ladder)trans-149.6149-175.864.80000111.5D109 N112D109-S114 WeakPolarHBondContact CB-O 3.32Å; D109-S114 PolarHBondContact N-O 3.31Å; D109-S114 PolarHBondContact O-N 3.47Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.21Å
115Y97.5Very high94.5Very high61 Ų6166.9 Ų66.924%0.23933%0.332CS..EExtended strand (participates in β ladder)trans-76.2137.3172.1-73.5-82.4000111.5L106 F108 R151 M153L106-Y115 HydrophobicContact CB-CD1 4.03Å; L106-Y115 HydrophobicContact CB-CG 4.33Å; F108-Y115 HydrophobicContact CB-CD1 4.03Å; F108-Y115 HydrophobicContact CB-CE1 3.85Å; F108-Y115 HydrophobicContact CD2-CD1 4.13Å; F108-Y115 AromaticContact CD2-CD2 3.87Å; F108-Y115 HydrophobicContact CD2-CD2 3.87Å; F108-Y115 HydrophobicContact CD2-CE1 4.02Å; F108-Y115 AromaticContact CD2-CE2 3.75Å; F108-Y115 HydrophobicContact CD2-CE2 3.75Å; F108-Y115 HydrophobicContact CD2-CG 4.07Å; F108-Y115 AromaticContact CD2-CZ 3.85Å; F108-Y115 HydrophobicContact CE2-CD2 4.41Å; F108-Y115 HydrophobicContact CE2-CE2 4.24Å; F108-Y115 HydrophobicContact CG-CE1 4.4Å; Y115-R151 HydrophobicContact CE1-CG 3.9Å; Y115-R151 VanDerWaalsContact OH-CD 3.25Å; Y115-R151 WeakPolarHBondContact OH-CD 3.19Å; Y115-R151 VanDerWaalsContact OH-CG 3.22Å; Y115-R151 WeakPolarHBondContact OH-CG 3.15Å; Y115-M153 HydrophobicContact CD1-CB 3.99Å; Y115-M153 HydrophobicContact CD1-CE 4.21Å; Y115-M153 HydrophobicContact CD2-CE 3.53Å; Y115-M153 HydrophobicContact CE1-CB 3.92Å; Y115-M153 HydrophobicContact CE1-CE 4Å; Y115-M153 HydrophobicContact CE2-CE 3.29Å; Y115-M153 HydrophobicContact CG-CE 3.98Å
116R96.5Very high94.3Very high127 Ų12767 Ų6748%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-120.8139.1177.5-62.1-61.8-171.5-179.5-0.4110.2L106 L107 D109L106-R116 CarbonylContact C-O 3.52Å; L106-R116 VanDerWaalsContact CA-O 3.25Å; L106-R116 WeakPolarHBondContact CA-O 3.19Å; L107-R116 PolarHBondContact N-O 2.96Å; L107-R116 PolarHBondContact O-N 3.01Å; D109-R116 HydrophobicContact CB-CG 4.23Å
117P96.5Very high93.9Very high99 Ų9970.7 Ų70.764%0.64335%0.351SS*.EExtended strand (participates in β ladder)trans-56143.8171.6-23.634000111.9L106L106-P117 HydrophobicContact CD2-CB 4.21Å; L106-P117 HydrophobicContact CD2-CG 4.08Å
118V96.1Very high93.6Very high10 Ų1078.7 Ų78.76%0.06138%0.381CS..  trans-97.3119.3176.8175.70000108.9A81 R83 V99 P105 L107 W152A81-V118 HydrophobicContact CB-CG1 4.06Å; R83-V118 HydrophobicContact CG-CG1 4.03Å; R83-V118 VanDerWaalsContact CZ-CG1 3.47Å; V99-V118 HydrophobicContact CG1-CG1 4.19Å; P105-V118 HydrophobicContact CB-CB 4.19Å; P105-V118 HydrophobicContact CB-CG2 4.29Å; P105-V118 HydrophobicContact CG-CB 4.08Å; P105-V118 PolarHBondContact O-N 3.17Å; L107-V118 HydrophobicContact CB-CG2 3.63Å; V118-W152 HydrophobicContact CG1-CH2 4.49Å; V118-W152 HydrophobicContact CG1-CZ3 4.4Å; V118-W152 HydrophobicContact CG2-CE3 4.5Å; V118-W152 HydrophobicContact CG2-CH2 4.27Å; V118-W152 HydrophobicContact CG2-CZ3 3.78Å
119D87.1Confident93.4Very high125 Ų12577.9 Ų77.967%0.66838%0.379SS*.  trans-125.2138.117662.8-16.5000112.8R83R83-D119 PolarHBondContact NH1-O 2.75Å; R83-D119 VanDerWaalsContact NH2-N 3.11Å; R83-D119 PolarHBondContact NH2-O 3.39Å; R83-D119 IonicContact NH2-OD1 3.38Å
120G88.9Confident93.3Very high41 Ų4178.9 Ų78.942%0.42339%0.387SS..SBendtrans57.8-160175.100000114.7A81 R83A81-G120 WeakPolarHBondContact CA-O 3.43Å; A81-G120 WeakPolarHBondContact CB-O 3.4Å; R83-G120 PolarHBondContact NH1-O 3.5Å
121N91.8Very high93.3Very high105 Ų10577.7 Ų77.756%0.56138%0.384SS*.EExtended strand (participates in β ladder)trans-98.8138.1177.2-65.8-8.1000110.3V82V82-N121 HydrophobicContact CB-CB 4.46Å; V82-N121 PolarHBondContact N-OD1 2.79Å; V82-N121 WeakPolarHBondContact O-CA 3.41Å
122Y92.8Very high93.4Very high103 Ų10369.8 Ų69.840%0.40435%0.35SS..EExtended strand (participates in β ladder)trans-143.4138.3178.1-179.6-93.1000110.4V82 R83 E84 D124V82-Y122 PolarHBondContact O-N 2.8Å; R83-Y122 WeakPolarHBondContact CA-O 3.16Å; E84-Y122 PolarHBondContact N-O 2.9Å; Y122-D124 HydrophobicContact CD1-CB 4.42Å; Y122-D124 HydrophobicContact CE1-CB 3.5Å; Y122-D124 VanDerWaalsContact CE1-CB 3.5Å; Y122-D124 PolarHBondContact OH-OD2 2.81Å
123S93.8Very high93.4Very high53 Ų5366.8 Ų66.837%0.37133%0.333SS..EExtended strand (participates in β ladder)trans-135.7132.1179.7177.10000109.5E84E84-S123 WeakPolarHBondContact O-CA 3.31Å; E84-S123 WeakPolarHBondContact OE2-CB 3.31Å; E84-S123 PolarHBondContact OE2-OG 3.3Å
124D92.5Very high93.4Very high8 Ų860 Ų604%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-153.7156.5178.6-154.66.2000114.3E84 I85 Y86 Y122 R128 S129E84-D124 PolarHBondContact O-N 2.9Å; I85-D124 WeakPolarHBondContact CA-O 3.27Å; Y86-D124 WeakPolarHBondContact CD1-O 3.37Å; Y86-D124 PolarHBondContact N-O 2.89Å; Y86-D124 VanDerWaalsContact N-O 3.11Å; Y122-D124 HydrophobicContact CD1-CB 4.42Å; Y122-D124 HydrophobicContact CE1-CB 3.5Å; Y122-D124 VanDerWaalsContact CE1-CB 3.5Å; Y122-D124 PolarHBondContact OH-OD2 2.81Å; D124-R128 WeakPolarHBondContact OD1-CB 3.4Å; D124-R128 IonicContact OD1-CZ 2.81Å; D124-R128 VanDerWaalsContact OD1-CZ 3.24Å; D124-R128 IonicContact OD1-NE 3.24Å; D124-R128 PolarHBondContact OD1-NE 3.01Å; D124-R128 IonicContact OD1-NH2 3.55Å; D124-R128 PolarHBondContact OD1-NH2 2.96Å; D124-R128 WeakPolarHBondContact OD2-CB 3.15Å; D124-S129 PolarHBondContact OD2-N 2.9Å
125S94.2Very high93.4Very high11 Ų1161.5 Ų61.58%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-78.7150.2173.6168.40000111Y86 L127 R128 S129Y86-S125 CarbonylContact O-C 3.59Å; Y86-S125 WeakPolarHBondContact O-CA 3.38Å; S125-L127 PolarHBondContact O-N 3.29Å; S125-L127 VanDerWaalsContact O-N 3.07Å; S125-L127 PolarHBondContact OG-N 2.81Å; S125-R128 PolarHBondContact O-N 3.3Å; S125-S129 WeakPolarHBondContact O-CB 3.35Å; S125-S129 PolarHBondContact O-N 2.87Å
126H92Very high93.3Very high8 Ų863.8 Ų63.84%0.03732%0.322CS..THydrogen-bonded Turntrans-52.9-27.5173.978.1-71.3000114Y86 D87 D89 R128 I132 H134Y86-H126 PolarHBondContact O-N 3.11Å; D87-H126 HydrophobicContact CB-CB 3.87Å; D87-H126 IonicContact OD1-CD2 2.94Å; D87-H126 IonicContact OD1-CE1 3.6Å; D87-H126 PolarHBondContact OD1-CE1 2.76Å; D87-H126 IonicContact OD1-CG 3.97Å; D87-H126 IonicContact OD1-ND1 3.51Å; D87-H126 PolarHBondContact OD1-ND1 3.03Å; D87-H126 IonicContact OD1-NE2 2.71Å; D89-H126 IonicContact OD2-CE1 3.17Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.99Å; H126-I132 VanDerWaalsContact CA-CD1 3.41Å; H126-I132 HydrophobicContact CB-CD1 3.4Å; H126-H134 AromaticContact CD2-CD2 3.9Å; H126-H134 AromaticContact CD2-NE2 3.57Å
127L90.1Very high93.3Very high124 Ų12459.3 Ų59.365%0.64931%0.308SS*.THydrogen-bonded Turntrans-71.1-22.6178.7-64.2175.2000113.7S125S125-L127 PolarHBondContact O-N 3.29Å; S125-L127 VanDerWaalsContact O-N 3.07Å; S125-L127 PolarHBondContact OG-N 2.81Å
128R90.8Very high93.3Very high173 Ų17355.7 Ų55.765%0.65329%0.288SS*.THydrogen-bonded Turntrans-116.4-29.6-174.4-62.5-172.3-55.5-143.4-1.7112.8D124 S125 H126 S130D124-R128 WeakPolarHBondContact OD1-CB 3.4Å; D124-R128 IonicContact OD1-CZ 2.81Å; D124-R128 VanDerWaalsContact OD1-CZ 3.24Å; D124-R128 IonicContact OD1-NE 3.24Å; D124-R128 PolarHBondContact OD1-NE 3.01Å; D124-R128 IonicContact OD1-NH2 3.55Å; D124-R128 PolarHBondContact OD1-NH2 2.96Å; D124-R128 WeakPolarHBondContact OD2-CB 3.15Å; S125-R128 PolarHBondContact O-N 3.3Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.99Å; R128-S130 PolarHBondContact O-N 3.12Å
129S91.7Very high93.1Very high13 Ų1361.4 Ų61.49%0.09131%0.312CS..  trans-64.6126.3-178.7-176.40000111.1D124 S125 N131D124-S129 PolarHBondContact OD2-N 2.9Å; S125-S129 WeakPolarHBondContact O-CB 3.35Å; S125-S129 PolarHBondContact O-N 2.87Å; S129-N131 VanDerWaalsContact C-N 3.26Å; S129-N131 PolarHBondContact OG-N 3.1Å; S129-N131 VanDerWaalsContact OG-N 3.17Å
130S94Very high93.3Very high35 Ų3555.9 Ų55.925%0.24528%0.282CS..SBendtrans-84.8-1.8168.361.70000112.7D109 Y110 R128D109-S130 CarbonylContact C-O 3.52Å; D109-S130 VanDerWaalsContact CG-OG 3.26Å; D109-S130 WeakPolarHBondContact OD1-CB 3.13Å; D109-S130 PolarHBondContact OD1-OG 2.84Å; D109-S130 PolarHBondContact OD2-OG 2.89Å; Y110-S130 PolarHBondContact N-O 3.32Å; R128-S130 PolarHBondContact O-N 3.12Å
131N95.3Very high93.2Very high22 Ų2258.9 Ų58.912%0.11829%0.289CS..SBendtrans-95.312.3-171.7-61.3123000114.5I85 L107 F108 S129I85-N131 HydrophobicContact CD1-CB 3.94Å; L107-N131 HydrophobicContact CD1-CB 4.25Å; L107-N131 HydrophobicContact CD2-CB 3.63Å; L107-N131 VanDerWaalsContact CD2-CG 3.48Å; L107-N131 HydrophobicContact CG-CB 3.8Å; F108-N131 WeakPolarHBondContact O-CA 3.31Å; F108-N131 PolarHBondContact O-ND2 3.5Å; S129-N131 VanDerWaalsContact C-N 3.26Å; S129-N131 PolarHBondContact OG-N 3.1Å; S129-N131 VanDerWaalsContact OG-N 3.17Å
132I95.2Very high92.9Very high12 Ų1255.7 Ų55.76%0.06228%0.281CS..  trans-128.3148.5179.657.4166.4000113.2I85 Y110 H126 H134 M148 M149 T150I85-I132 HydrophobicContact CB-CG2 4.2Å; I85-I132 HydrophobicContact CD1-CG2 3.63Å; I85-I132 HydrophobicContact CG1-CG2 4.49Å; I85-I132 HydrophobicContact CG2-CD1 4.25Å; I85-I132 HydrophobicContact CG2-CG2 3.6Å; Y110-I132 WeakPolarHBondContact CD2-O 3.41Å; Y110-I132 VanDerWaalsContact CE2-C 3.45Å; H126-I132 VanDerWaalsContact CA-CD1 3.41Å; H126-I132 HydrophobicContact CB-CD1 3.4Å; I132-H134 HydrophobicContact CD1-CB 4.21Å; I132-M148 HydrophobicContact CB-CG 4.06Å; I132-M148 HydrophobicContact CB-SD 4.5Å; I132-M148 HydrophobicContact CD1-CG 4.21Å; I132-M148 HydrophobicContact CD1-SD 3.93Å; I132-M148 HydrophobicContact CG2-CG 3.78Å; I132-M148 HydrophobicContact CG2-SD 3.89Å; I132-M149 VanDerWaalsContact CA-O 3.25Å; I132-M149 WeakPolarHBondContact CA-O 3.5Å; I132-T150 HydrophobicContact CG2-CG2 3.76Å
133D94.2Very high92.9Very high26 Ų2651.6 Ų51.614%0.13927%0.266CS..EExtended strand (participates in β ladder)trans-105.8130.5152.6-176.323.2000107.2Y110 M148 M149 R197Y110-D133 HydrophobicContact CD1-CB 4.21Å; Y110-D133 HydrophobicContact CE1-CB 3.75Å; Y110-D133 HydrophobicContact CE2-CB 4.49Å; D133-M148 CarbonylContact O-C 3.48Å; D133-M149 HydrophobicContact CB-CE 4.29Å; D133-M149 PolarHBondContact N-O 3.3Å; D133-M149 PolarHBondContact O-N 2.92Å; D133-R197 IonicContact OD1-CZ 3.62Å; D133-R197 IonicContact OD1-NH2 3.24Å; D133-R197 PolarHBondContact OD1-NH2 3.03Å; D133-R197 IonicContact OD2-CZ 3.76Å; D133-R197 IonicContact OD2-NE 3.81Å; D133-R197 PolarHBondContact OD2-NE 2.67Å; D133-R197 IonicContact OD2-NH2 3.36Å; D133-R197 PolarHBondContact OD2-NH2 3.33Å
134H94.6Very high93Very high70 Ų7049.3 Ų49.332%0.32425%0.25SC..EExtended strand (participates in β ladder)trans-144.7150.7-176.973.2-80.5000110.1H126 I132 F147 M148H126-H134 AromaticContact CD2-CD2 3.9Å; H126-H134 AromaticContact CD2-NE2 3.57Å; I132-H134 HydrophobicContact CD1-CB 4.21Å; H134-F147 WeakPolarHBondContact CA-O 3.49Å; H134-M148 HydrophobicContact CB-CB 4.2Å; H134-M148 HydrophobicContact CB-CG 4.28Å
135E95.3Very high93.2Very high65 Ų6548.9 Ų48.930%0.30425%0.248SC..EExtended strand (participates in β ladder)trans-152131.7176.5-167.5171.1165.700111.2L137 G146 F147 R197E135-L137 HydrophobicContact CG-CD2 3.9Å; E135-L137 WeakPolarHBondContact OE1-CD2 3.28Å; E135-G146 WeakPolarHBondContact O-CA 3.46Å; E135-F147 HydrophobicContact CB-CD1 4.32Å; E135-F147 HydrophobicContact CB-CE1 3.61Å; E135-F147 HydrophobicContact CB-CZ 3.94Å; E135-F147 PolarHBondContact N-O 3.07Å; E135-F147 PolarHBondContact O-N 2.91Å; E135-R197 WeakPolarHBondContact OE2-CD 3.41Å; E135-R197 IonicContact OE2-CZ 2.91Å; E135-R197 IonicContact OE2-NE 3.89Å; E135-R197 IonicContact OE2-NH1 3.93Å; E135-R197 PolarHBondContact OE2-NH1 3.26Å; E135-R197 IonicContact OE2-NH2 3.12Å
136R96.7Very high93.4Very high110 Ų11048.4 Ų48.442%0.41524%0.244SC..EExtended strand (participates in β ladder)trans-94.6109.7166.3-177.8-178-177.4165.911.5109L91L91-R136 HydrophobicContact CD2-CB 4.01Å; L91-R136 HydrophobicContact CD2-CG 3.99Å
137L96.7Very high93.7Very high33 Ų3348 Ų4817%0.17324%0.242CC..EExtended strand (participates in β ladder)trans-81.8-24.1-177.7-61.6176.5000112.8E135 V145 F190 Q193 I194E135-L137 HydrophobicContact CG-CD2 3.9Å; E135-L137 WeakPolarHBondContact OE1-CD2 3.28Å; L137-V145 PolarHBondContact N-O 3.09Å; L137-F190 HydrophobicContact CB-CD1 3.78Å; L137-F190 HydrophobicContact CB-CE1 3.98Å; L137-F190 HydrophobicContact CD1-CD1 4.24Å; L137-Q193 HydrophobicContact CD1-CB 4.11Å; L137-I194 HydrophobicContact CD1-CD1 4.17Å; L137-I194 HydrophobicContact CD1-CG1 3.49Å; L137-I194 VanDerWaalsContact CD1-CG1 3.49Å
138G94.9Very high94Very high22 Ų2242.1 Ų42.123%0.22721%0.212CC..EExtended strand (participates in β ladder)trans170.3-156.6179.100000114.5V145G138-V145 PolarHBondContact N-O 3.39Å; G138-V145 PolarHBondContact O-N 2.84Å; G138-V145 VanDerWaalsContact O-N 3.1Å
139K92.5Very high94.3Very high131 Ų13133.9 Ų33.957%0.5718%0.181SC*.EExtended strand (participates in β ladder)trans-150.2132.4178.1-170.1177.9-175.91750109.4G142 D143K139-G142 WeakPolarHBondContact CE-O 3.28Å; K139-D143 CarbonylContact C-O 3.55Å; K139-D143 VanDerWaalsContact CA-O 3.24Å; K139-D143 WeakPolarHBondContact CA-O 3.47Å; K139-D143 WeakPolarHBondContact CG-O 3.28Å
140V91.6Very high94.6Very high8 Ų833.3 Ų33.35%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-124.5119.8175.7179.10000107.8G142 D143 V145 N167 F190V140-G142 PolarHBondContact O-N 3.05Å; V140-D143 PolarHBondContact N-O 3.2Å; V140-D143 PolarHBondContact O-N 2.9Å; V140-V145 HydrophobicContact CG2-CG2 4.34Å; V140-N167 HydrophobicContact CB-CB 3.57Å; V140-N167 HydrophobicContact CG1-CB 3.86Å; V140-N167 HydrophobicContact CG2-CB 3.78Å; V140-F190 HydrophobicContact CG2-CE2 3.68Å; V140-F190 HydrophobicContact CG2-CZ 4.37Å
141D87Confident94.7Very high104 Ų10433 Ų3356%0.55617%0.17SC*.THydrogen-bonded Turntrans50.926.8175.1-56.5-22.6000116.4R170D141-R170 IonicContact OD1-CZ 2.98Å; D141-R170 IonicContact OD1-NH1 3.76Å; D141-R170 PolarHBondContact OD1-NH1 3.39Å; D141-R170 IonicContact OD1-NH2 2.73Å; D141-R170 VanDerWaalsContact OD2-CG 3.26Å; D141-R170 WeakPolarHBondContact OD2-CG 3.42Å; D141-R170 IonicContact OD2-CZ 2.83Å; D141-R170 IonicContact OD2-NE 2.67Å; D141-R170 IonicContact OD2-NH1 3.16Å; D141-R170 PolarHBondContact OD2-NH1 2.8Å
142G86Confident94.8Very high38 Ų3832 Ų3239%0.39216%0.164SC..THydrogen-bonded Turntrans113.5-26.4-176.900000113.7K139 V140K139-G142 WeakPolarHBondContact CE-O 3.28Å; V140-G142 PolarHBondContact O-N 3.05Å
143D91.1Very high94.8Very high17 Ų1733.2 Ų33.29%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-93.5130-174.4-63.9-51.4000111.4H54 R55 K139 V140H54-D143 IonicContact CD2-OD1 3.64Å; H54-D143 IonicContact CE1-OD1 2.81Å; H54-D143 IonicContact NE2-OD1 2.61Å; H54-D143 PolarHBondContact NE2-OD1 3.01Å; R55-D143 IonicContact CZ-OD1 2.86Å; R55-D143 IonicContact CZ-OD2 3.59Å; R55-D143 IonicContact NE-OD1 3.97Å; R55-D143 PolarHBondContact NE-OD1 2.9Å; R55-D143 IonicContact NE-OD2 3.23Å; R55-D143 IonicContact NH2-OD1 2.63Å; R55-D143 PolarHBondContact NH2-OD1 3.07Å; R55-D143 IonicContact NH2-OD2 3.09Å; R55-D143 PolarHBondContact NH2-OD2 3.08Å; K139-D143 CarbonylContact C-O 3.55Å; K139-D143 VanDerWaalsContact CA-O 3.24Å; K139-D143 WeakPolarHBondContact CA-O 3.47Å; K139-D143 WeakPolarHBondContact CG-O 3.28Å; V140-D143 PolarHBondContact N-O 3.2Å; V140-D143 PolarHBondContact O-N 2.9Å
144P96.3Very high94.9Very high5 Ų532 Ų323%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-68.3152.417232.5-33.8000110.5H54 S90 L91H54-P144 HydrophobicContact CB-CG 4.26Å; H54-P144 WeakPolarHBondContact CD2-CD 3.41Å; H54-P144 WeakPolarHBondContact NE2-CD 3.46Å; S90-P144 VanDerWaalsContact O-CB 3.25Å; S90-P144 WeakPolarHBondContact O-CB 3.25Å; L91-P144 HydrophobicContact CD2-CB 4.11Å; L91-P144 VanDerWaalsContact O-CG 3.3Å; L91-P144 WeakPolarHBondContact O-CG 3.49Å
145V97.9Very high95Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-128.2133.1174.2179.60000108.8L137 G138 V140 V165 L166 N167 F190L137-V145 PolarHBondContact N-O 3.09Å; G138-V145 PolarHBondContact N-O 3.39Å; G138-V145 PolarHBondContact O-N 2.84Å; G138-V145 VanDerWaalsContact O-N 3.1Å; V140-V145 HydrophobicContact CG2-CG2 4.34Å; V145-V165 WeakPolarHBondContact CA-O 3.45Å; V145-L166 HydrophobicContact CG1-CD2 3.93Å; V145-N167 HydrophobicContact CG2-CB 3.97Å; V145-F190 HydrophobicContact CB-CD1 4.47Å; V145-F190 HydrophobicContact CB-CD2 4.39Å; V145-F190 HydrophobicContact CB-CG 4.35Å; V145-F190 HydrophobicContact CG1-CB 3.6Å; V145-F190 HydrophobicContact CG1-CD1 3.84Å; V145-F190 HydrophobicContact CG1-CD2 3.87Å; V145-F190 HydrophobicContact CG1-CE1 4.47Å; V145-F190 HydrophobicContact CG1-CG 3.5Å; V145-F190 HydrophobicContact CG2-CD2 4.3Å; V145-F190 HydrophobicContact CG2-CE2 4.38Å
146G98Very high94.9Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans162.3-163.8-178.700000113.1E135 L164 V165E135-G146 WeakPolarHBondContact O-CA 3.46Å; G146-L164 WeakPolarHBondContact O-CA 3.35Å; G146-V165 PolarHBondContact N-O 3.41Å; G146-V165 VanDerWaalsContact N-O 3.11Å; G146-V165 PolarHBondContact O-N 3.34Å
147F97.8Very high94.7Very high0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-149.7163.8-178.474.3-85.4000112.3L91 H134 E135 M149 V162 N163 L164 I194 M198L91-F147 WeakPolarHBondContact CD1-O 3.2Å; H134-F147 WeakPolarHBondContact CA-O 3.49Å; E135-F147 HydrophobicContact CB-CD1 4.32Å; E135-F147 HydrophobicContact CB-CE1 3.61Å; E135-F147 HydrophobicContact CB-CZ 3.94Å; E135-F147 PolarHBondContact N-O 3.07Å; E135-F147 PolarHBondContact O-N 2.91Å; F147-M149 HydrophobicContact CD2-CB 4.23Å; F147-M149 HydrophobicContact CE2-CB 4.22Å; F147-V162 HydrophobicContact CB-CG1 3.94Å; F147-V162 HydrophobicContact CD2-CG1 4.16Å; F147-V162 HydrophobicContact CG-CG1 4.29Å; F147-N163 CarbonylContact C-O 3.55Å; F147-N163 WeakPolarHBondContact CA-O 3.45Å; F147-N163 WeakPolarHBondContact CB-O 3.36Å; F147-L164 HydrophobicContact CB-CB 3.96Å; F147-I194 HydrophobicContact CB-CD1 4.37Å; F147-I194 HydrophobicContact CD1-CD1 4.39Å; F147-I194 HydrophobicContact CD1-CG1 3.97Å; F147-I194 HydrophobicContact CD1-CG2 4.03Å; F147-I194 HydrophobicContact CG-CG2 4.29Å; F147-M198 HydrophobicContact CD1-CE 4.49Å; F147-M198 HydrophobicContact CD2-CE 3.42Å; F147-M198 VanDerWaalsContact CD2-CE 3.42Å; F147-M198 HydrophobicContact CE1-CE 4.21Å; F147-M198 HydrophobicContact CE2-CE 3.12Å; F147-M198 HydrophobicContact CG-CE 4.14Å; F147-M198 HydrophobicContact CZ-CE 3.57Å
148M97.2Very high94.6Very high1 Ų126.6 Ų26.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-132.7133.7164.9177.8174.165.800108.9I85 I93 S95 I132 D133 H134 N163I85-M148 HydrophobicContact CB-SD 4.46Å; I85-M148 HydrophobicContact CG2-SD 3.99Å; I85-M148 VanDerWaalsContact O-CE 3.23Å; I85-M148 WeakPolarHBondContact O-CE 3.3Å; I93-M148 HydrophobicContact CD1-CB 3.71Å; I93-M148 HydrophobicContact CG1-CE 4.36Å; S95-M148 WeakPolarHBondContact OG-CE 3.43Å; I132-M148 HydrophobicContact CB-CG 4.06Å; I132-M148 HydrophobicContact CB-SD 4.5Å; I132-M148 HydrophobicContact CD1-CG 4.21Å; I132-M148 HydrophobicContact CD1-SD 3.93Å; I132-M148 HydrophobicContact CG2-CG 3.78Å; I132-M148 HydrophobicContact CG2-SD 3.89Å; D133-M148 CarbonylContact O-C 3.48Å; H134-M148 HydrophobicContact CB-CB 4.2Å; H134-M148 HydrophobicContact CB-CG 4.28Å; M148-N163 PolarHBondContact N-O 3.12Å; M148-N163 PolarHBondContact O-N 2.97Å
149M96.4Very high94.7Very high0 Ų025.5 Ų25.50%014%0.136CC..EExtended strand (participates in β ladder)trans-123.5138.5-177.6-176.9175.678.100110.7Y110 I132 D133 F147 D160 F161 V162 M198 Y201 M207Y110-M149 WeakPolarHBondContact OH-CE 3.36Å; I132-M149 VanDerWaalsContact CA-O 3.25Å; I132-M149 WeakPolarHBondContact CA-O 3.5Å; D133-M149 HydrophobicContact CB-CE 4.29Å; D133-M149 PolarHBondContact N-O 3.3Å; D133-M149 PolarHBondContact O-N 2.92Å; F147-M149 HydrophobicContact CD2-CB 4.23Å; F147-M149 HydrophobicContact CE2-CB 4.22Å; M149-D160 HydrophobicContact CG-CB 4.36Å; M149-D160 HydrophobicContact SD-CB 4.01Å; M149-F161 VanDerWaalsContact CA-O 3.3Å; M149-F161 WeakPolarHBondContact CA-O 3.49Å; M149-V162 HydrophobicContact CB-CG2 4.22Å; M149-V162 HydrophobicContact CG-CG2 3.88Å; M149-V162 HydrophobicContact SD-CG2 3.86Å; M149-M198 HydrophobicContact CB-CE 4.15Å; M149-M198 HydrophobicContact CE-CE 4.42Å; M149-M198 HydrophobicContact CE-SD 4.14Å; M149-M198 HydrophobicContact SD-CE 3.69Å; M149-M198 HydrophobicContact SD-SD 3.59Å; M149-Y201 HydrophobicContact CE-CD2 4.25Å; M149-Y201 HydrophobicContact CE-CE2 4.19Å; M149-M207 HydrophobicContact SD-CE 3.78Å
150T96.9Very high94.9Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-119.6143.8165.559.50000110.2I85 Y97 I132 W152 D160 F161I85-T150 HydrophobicContact CD1-CG2 3.73Å; Y97-T150 HydrophobicContact CE2-CG2 3.82Å; Y97-T150 PolarHBondContact OH-OG1 3.31Å; I132-T150 HydrophobicContact CG2-CG2 3.76Å; T150-W152 PolarHBondContact OG1-NE1 3.27Å; T150-W152 VanDerWaalsContact OG1-NE1 3.12Å; T150-D160 WeakPolarHBondContact O-CA 2.92Å; T150-F161 PolarHBondContact N-O 3.19Å; T150-F161 PolarHBondContact O-N 2.7Å
151R96.7Very high95.2Very high29 Ų2919 Ų1911%0.10911%0.107CC..EExtended strand (participates in β ladder)trans-110.9126.4177.1172.2169.7-71.8-149.8-5.6111.5L107 F108 Y110 Y115 D160 D205L107-R151 WeakPolarHBondContact CD1-O 3.5Å; F108-R151 HydrophobicContact CB-CB 3.67Å; F108-R151 HydrophobicContact CB-CG 3.78Å; F108-R151 VanDerWaalsContact CB-O 3.31Å; F108-R151 WeakPolarHBondContact CB-O 3.47Å; F108-R151 HydrophobicContact CG-CB 4.29Å; F108-R151 HydrophobicContact CG-CG 4.2Å; F108-R151 PolarHBondContact N-O 2.9Å; Y110-R151 WeakPolarHBondContact OH-CB 3.24Å; Y115-R151 HydrophobicContact CE1-CG 3.9Å; Y115-R151 VanDerWaalsContact OH-CD 3.25Å; Y115-R151 WeakPolarHBondContact OH-CD 3.19Å; Y115-R151 VanDerWaalsContact OH-CG 3.22Å; Y115-R151 WeakPolarHBondContact OH-CG 3.15Å; R151-D160 WeakPolarHBondContact CA-OD1 3.42Å; R151-D160 WeakPolarHBondContact CB-OD1 3.38Å; R151-D160 WeakPolarHBondContact CG-OD1 3.16Å; R151-D160 IonicContact CZ-OD1 3.44Å; R151-D160 IonicContact CZ-OD2 2.88Å; R151-D160 IonicContact NE-OD1 2.65Å; R151-D160 PolarHBondContact NE-OD1 2.94Å; R151-D160 IonicContact NE-OD2 2.94Å; R151-D160 IonicContact NH2-OD1 3.52Å; R151-D160 IonicContact NH2-OD2 2.7Å; R151-D160 PolarHBondContact NH2-OD2 3.44Å; R151-D205 IonicContact CZ-OD2 3.68Å; R151-D205 IonicContact NE-OD2 3.94Å; R151-D205 IonicContact NH1-OD2 3.62Å; R151-D205 PolarHBondContact NH1-OD2 2.94Å; R151-D205 IonicContact NH2-OD2 3.36Å; R151-D205 PolarHBondContact NH2-OD2 3.24Å
152W97.3Very high95.8Very high0 Ų014 Ų140%08%0.081CC..EExtended strand (participates in β ladder)trans-121.6152.1-175.8-70.475.3000111.4F45 R83 Y97 V99 P105 L106 L107 V118 T150 L154 P158 F159 F161F45-W152 AromaticContact CE2-CD2 3.94Å; F45-W152 HydrophobicContact CE2-CD2 3.94Å; F45-W152 AromaticContact CE2-CE3 3.92Å; F45-W152 HydrophobicContact CE2-CE3 3.92Å; F45-W152 HydrophobicContact CE2-CH2 4.28Å; F45-W152 HydrophobicContact CE2-CZ2 4.33Å; F45-W152 HydrophobicContact CE2-CZ3 4.08Å; F45-W152 HydrophobicContact CZ-CD2 4.27Å; R83-W152 HydrophobicContact CB-CH2 4.02Å; R83-W152 HydrophobicContact CB-CZ2 4.04Å; R83-W152 HydrophobicContact CG-CH2 3.7Å; R83-W152 HydrophobicContact CG-CZ2 4.14Å; Y97-W152 HydrophobicContact CD1-CZ2 4.38Å; Y97-W152 AromaticContact CD2-CZ2 3.72Å; Y97-W152 HydrophobicContact CD2-CZ2 3.72Å; Y97-W152 HydrophobicContact CE2-CZ2 4.48Å; Y97-W152 AromaticContact CG-CZ2 3.64Å; Y97-W152 HydrophobicContact CG-CZ2 3.64Å; V99-W152 HydrophobicContact CG1-CZ3 4.36Å; P105-W152 HydrophobicContact CB-CE3 4.26Å; P105-W152 HydrophobicContact CB-CZ3 4.02Å; L106-W152 CarbonylContact O-C 3.5Å; L106-W152 WeakPolarHBondContact O-CA 3.41Å; L107-W152 HydrophobicContact CD1-CD2 3.95Å; L107-W152 HydrophobicContact CD1-CG 4.22Å; L107-W152 HydrophobicContact CD1-CZ2 3.94Å; L107-W152 HydrophobicContact CD2-CZ2 4.39Å; V118-W152 HydrophobicContact CG1-CH2 4.49Å; V118-W152 HydrophobicContact CG1-CZ3 4.4Å; V118-W152 HydrophobicContact CG2-CE3 4.5Å; V118-W152 HydrophobicContact CG2-CH2 4.27Å; V118-W152 HydrophobicContact CG2-CZ3 3.78Å; T150-W152 PolarHBondContact OG1-NE1 3.27Å; T150-W152 VanDerWaalsContact OG1-NE1 3.12Å; W152-L154 HydrophobicContact CB-CG 4.33Å; W152-L154 HydrophobicContact CE3-CD2 4.15Å; W152-P158 CarbonylContact O-C 3.55Å; W152-P158 WeakPolarHBondContact O-CA 3.49Å; W152-F159 PolarHBondContact N-O 3.46Å; W152-F159 PolarHBondContact O-N 3.47Å; W152-F161 HydrophobicContact CB-CE2 3.99Å; W152-F161 AromaticContact CD1-CD2 3.44Å; W152-F161 VanDerWaalsContact CD1-CD2 3.44Å; W152-F161 AromaticContact CD1-CE2 3.55Å; W152-F161 HydrophobicContact CG-CD2 4.18Å; W152-F161 AromaticContact CG-CE2 3.82Å; W152-F161 HydrophobicContact CG-CE2 3.82Å; W152-F161 AromaticContact NE1-CD2 3.93Å
153M96.7Very high96.4Very high38 Ų3812.2 Ų12.219%0.1876%0.062CC..EExtended strand (participates in β ladder)trans-114.3117.5163.5-162.2166.2-65.100108.3P105 L106 Y115 Q157P105-M153 WeakPolarHBondContact CA-O 3.43Å; L106-M153 HydrophobicContact CB-CB 3.97Å; L106-M153 HydrophobicContact CD1-CB 4.3Å; L106-M153 HydrophobicContact CD1-SD 4.04Å; L106-M153 HydrophobicContact CG-CB 4.31Å; L106-M153 PolarHBondContact N-O 3.29Å; L106-M153 PolarHBondContact O-N 3.15Å; Y115-M153 HydrophobicContact CD1-CB 3.99Å; Y115-M153 HydrophobicContact CD1-CE 4.21Å; Y115-M153 HydrophobicContact CD2-CE 3.53Å; Y115-M153 HydrophobicContact CE1-CB 3.92Å; Y115-M153 HydrophobicContact CE1-CE 4Å; Y115-M153 HydrophobicContact CE2-CE 3.29Å; Y115-M153 HydrophobicContact CG-CE 3.98Å; M153-Q157 WeakPolarHBondContact CA-O 3.29Å
154L95.8Very high96.7Very high0 Ų011.4 Ų11.40%06%0.058CC..EExtended strand (participates in β ladder)trans-123.3122.6178.8-55.5175.9000107.5M9 F45 V99 A103 P105 W152 D156 Q157 F159 F161M9-L154 HydrophobicContact CE-CB 4.29Å; M9-L154 HydrophobicContact CE-CD1 3.68Å; M9-L154 HydrophobicContact SD-CD1 4.12Å; F45-L154 HydrophobicContact CB-CD1 4.08Å; F45-L154 HydrophobicContact CD1-CD1 4.15Å; F45-L154 HydrophobicContact CD2-CD1 3.7Å; F45-L154 HydrophobicContact CD2-CD2 3.9Å; F45-L154 HydrophobicContact CD2-CG 4.47Å; F45-L154 HydrophobicContact CE2-CD1 4.12Å; F45-L154 HydrophobicContact CE2-CD2 4.25Å; F45-L154 HydrophobicContact CG-CD1 3.71Å; V99-L154 HydrophobicContact CG2-CD2 4.39Å; A103-L154 HydrophobicContact CB-CD2 4.26Å; P105-L154 HydrophobicContact CB-CD2 4.05Å; W152-L154 HydrophobicContact CB-CG 4.33Å; W152-L154 HydrophobicContact CE3-CD2 4.15Å; L154-D156 PolarHBondContact O-N 2.9Å; L154-Q157 PolarHBondContact N-O 2.9Å; L154-Q157 WeakPolarHBondContact O-CB 3.43Å; L154-Q157 PolarHBondContact O-N 3.41Å; L154-F159 HydrophobicContact CB-CD2 3.91Å; L154-F159 HydrophobicContact CB-CE2 3.97Å; L154-F159 HydrophobicContact CD1-CD2 3.98Å; L154-F159 HydrophobicContact CD1-CE2 4.43Å; L154-F159 HydrophobicContact CD1-CG 4.34Å; L154-F159 HydrophobicContact CG-CD2 4.08Å; L154-F161 HydrophobicContact CD1-CZ 4.49Å
155F95.4Very high96.8Very high10 Ų1011.2 Ų11.24%0.0446%0.057CC..THydrogen-bonded Turntrans50.941.1-172.5-53.1-87.9000113.1V4 A7 V44 T102 A103 Q157 V378V4-F155 HydrophobicContact CB-CE1 4.5Å; V4-F155 HydrophobicContact CG1-CE1 4.23Å; V4-F155 HydrophobicContact CG1-CZ 4.48Å; A7-F155 HydrophobicContact CB-CD2 4.18Å; A7-F155 HydrophobicContact CB-CE2 3.52Å; A7-F155 HydrophobicContact CB-CZ 4.13Å; V44-F155 HydrophobicContact CB-CZ 4.44Å; V44-F155 HydrophobicContact CG1-CZ 4.45Å; V44-F155 HydrophobicContact CG2-CE2 3.75Å; V44-F155 HydrophobicContact CG2-CZ 3.97Å; T102-F155 VanDerWaalsContact O-CE1 3.23Å; T102-F155 WeakPolarHBondContact O-CE1 3.47Å; A103-F155 VanDerWaalsContact CA-CZ 3.49Å; A103-F155 HydrophobicContact CB-CD2 4.24Å; A103-F155 HydrophobicContact CB-CE2 3.68Å; A103-F155 HydrophobicContact CB-CZ 3.88Å; A103-F155 PolarHBondContact O-N 3.46Å; F155-Q157 PolarHBondContact O-N 2.93Å; F155-V378 HydrophobicContact CB-CB 3.9Å; F155-V378 HydrophobicContact CB-CG2 4.07Å; F155-V378 HydrophobicContact CD1-CG2 4.49Å; F155-V378 HydrophobicContact CD2-CB 4.03Å; F155-V378 HydrophobicContact CD2-CG1 3.98Å; F155-V378 HydrophobicContact CD2-CG2 3.93Å; F155-V378 HydrophobicContact CE2-CG2 4.49Å; F155-V378 HydrophobicContact CG-CB 4.16Å; F155-V378 HydrophobicContact CG-CG2 3.93Å
156D93.7Very high96.8Very high91 Ų9111.2 Ų11.249%0.4876%0.057SC..THydrogen-bonded Turntrans64.415.1-176.6-45.8-52.3000114.6R104 L154R104-D156 IonicContact CZ-OD2 2.8Å; R104-D156 IonicContact NH1-OD1 3.14Å; R104-D156 IonicContact NH1-OD2 3.56Å; R104-D156 PolarHBondContact NH1-OD2 3.16Å; R104-D156 IonicContact NH2-OD2 3.91Å; R104-D156 PolarHBondContact NH2-OD2 3.29Å; L154-D156 PolarHBondContact O-N 2.9Å
157Q93.9Very high96.6Very high39 Ų3911.3 Ų11.318%0.1826%0.057CC..EExtended strand (participates in β ladder)trans-110.6138175.4-65.3-63.6-3300111.4M153 L154 F155 F159 V378M153-Q157 WeakPolarHBondContact CA-O 3.29Å; L154-Q157 PolarHBondContact N-O 2.9Å; L154-Q157 WeakPolarHBondContact O-CB 3.43Å; L154-Q157 PolarHBondContact O-N 3.41Å; F155-Q157 PolarHBondContact O-N 2.93Å; Q157-F159 HydrophobicContact CB-CD2 4.49Å; Q157-F159 HydrophobicContact CB-CE2 3.82Å; Q157-F159 WeakPolarHBondContact O-CD2 3.38Å; Q157-V378 VanDerWaalsContact CG-O 3.31Å; Q157-V378 WeakPolarHBondContact CG-O 3.36Å
158P94Very high96.4Very high25 Ų2512 Ų1216%0.1626%0.064CC..EExtended strand (participates in β ladder)trans-79.8134.6-18031.6-34000112.2W152 D205 S206W152-P158 CarbonylContact O-C 3.55Å; W152-P158 WeakPolarHBondContact O-CA 3.49Å; P158-D205 HydrophobicContact CB-CB 4.26Å; P158-D205 WeakPolarHBondContact CB-OD1 3.22Å; P158-D205 HydrophobicContact CG-CB 4.36Å; P158-D205 WeakPolarHBondContact CG-OD1 3.36Å; P158-S206 PolarHBondContact O-N 3.39Å
159F96.9Very high96Very high0 Ų014.2 Ų14.20%08%0.075CC..EExtended strand (participates in β ladder)trans-132.6126.2174.4-69.3-92.1000110.3M9 W152 L154 Q157 F161 S206 L339 I376 V378M9-F159 HydrophobicContact CE-CE1 4.3Å; M9-F159 HydrophobicContact CE-CE2 4.08Å; M9-F159 HydrophobicContact CE-CZ 3.85Å; M9-F159 HydrophobicContact SD-CE1 4.26Å; M9-F159 HydrophobicContact SD-CZ 4.41Å; W152-F159 PolarHBondContact N-O 3.46Å; W152-F159 PolarHBondContact O-N 3.47Å; L154-F159 HydrophobicContact CB-CD2 3.91Å; L154-F159 HydrophobicContact CB-CE2 3.97Å; L154-F159 HydrophobicContact CD1-CD2 3.98Å; L154-F159 HydrophobicContact CD1-CE2 4.43Å; L154-F159 HydrophobicContact CD1-CG 4.34Å; L154-F159 HydrophobicContact CG-CD2 4.08Å; Q157-F159 HydrophobicContact CB-CD2 4.49Å; Q157-F159 HydrophobicContact CB-CE2 3.82Å; Q157-F159 WeakPolarHBondContact O-CD2 3.38Å; F159-F161 HydrophobicContact CB-CE1 4.42Å; F159-F161 HydrophobicContact CB-CE2 3.81Å; F159-F161 HydrophobicContact CB-CZ 3.63Å; F159-F161 HydrophobicContact CD1-CZ 4.49Å; F159-F161 HydrophobicContact CG-CZ 4.3Å; F159-S206 CarbonylContact C-O 3.54Å; F159-S206 VanDerWaalsContact CA-O 3.28Å; F159-S206 WeakPolarHBondContact CA-O 3.45Å; F159-L339 HydrophobicContact CE1-CD1 4.14Å; F159-I376 HydrophobicContact CE1-CD1 4.31Å; F159-I376 HydrophobicContact CE1-CG2 4.08Å; F159-I376 HydrophobicContact CZ-CG2 4.02Å; F159-V378 HydrophobicContact CZ-CG1 4.28Å
160D97Very high95.5Very high0 Ų018.8 Ų18.80%09%0.092CC..EExtended strand (participates in β ladder)trans-107.9132.8172.1-66.1-31.4000110.2M149 T150 R151 S206 M207 I208M149-D160 HydrophobicContact CG-CB 4.36Å; M149-D160 HydrophobicContact SD-CB 4.01Å; T150-D160 WeakPolarHBondContact O-CA 2.92Å; R151-D160 WeakPolarHBondContact CA-OD1 3.42Å; R151-D160 WeakPolarHBondContact CB-OD1 3.38Å; R151-D160 WeakPolarHBondContact CG-OD1 3.16Å; R151-D160 IonicContact CZ-OD1 3.44Å; R151-D160 IonicContact CZ-OD2 2.88Å; R151-D160 IonicContact NE-OD1 2.65Å; R151-D160 PolarHBondContact NE-OD1 2.94Å; R151-D160 IonicContact NE-OD2 2.94Å; R151-D160 IonicContact NH2-OD1 3.52Å; R151-D160 IonicContact NH2-OD2 2.7Å; R151-D160 PolarHBondContact NH2-OD2 3.44Å; D160-S206 PolarHBondContact N-O 3.39Å; D160-M207 HydrophobicContact CB-CE 3.71Å; D160-M207 HydrophobicContact CB-CG 4.01Å; D160-M207 WeakPolarHBondContact O-CA 3.46Å; D160-I208 PolarHBondContact O-N 3.45Å
161F98.2Very high95Very high1 Ų120.2 Ų20.20%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-117.6112.2178.2-54.2-75.8000109F11 F45 Y97 M149 T150 W152 L154 F159 I208F11-F161 HydrophobicContact CD1-CD1 4.32Å; F11-F161 AromaticContact CD1-CE1 3.96Å; F11-F161 HydrophobicContact CD1-CE1 3.96Å; F11-F161 HydrophobicContact CE1-CD1 4.23Å; F11-F161 AromaticContact CE1-CE1 3.43Å; F11-F161 HydrophobicContact CE1-CE1 3.43Å; F11-F161 VanDerWaalsContact CE1-CE1 3.43Å; F11-F161 HydrophobicContact CE1-CZ 4.21Å; F11-F161 HydrophobicContact CZ-CE1 4.29Å; F45-F161 HydrophobicContact CD1-CZ 4.03Å; F45-F161 HydrophobicContact CE1-CD2 4.3Å; F45-F161 AromaticContact CE1-CE1 3.8Å; F45-F161 HydrophobicContact CE1-CE1 3.8Å; F45-F161 AromaticContact CE1-CE2 3.54Å; F45-F161 HydrophobicContact CE1-CE2 3.54Å; F45-F161 AromaticContact CE1-CZ 3.25Å; F45-F161 HydrophobicContact CE1-CZ 3.25Å; F45-F161 HydrophobicContact CE2-CE2 4.38Å; F45-F161 HydrophobicContact CZ-CD2 4.08Å; F45-F161 HydrophobicContact CZ-CE1 4.48Å; F45-F161 AromaticContact CZ-CE2 3.39Å; F45-F161 HydrophobicContact CZ-CE2 3.39Å; F45-F161 AromaticContact CZ-CZ 3.64Å; F45-F161 HydrophobicContact CZ-CZ 3.64Å; Y97-F161 HydrophobicContact CE1-CB 3.96Å; Y97-F161 AromaticContact CE1-CD2 3.96Å; Y97-F161 HydrophobicContact CE1-CD2 3.96Å; Y97-F161 HydrophobicContact CE1-CG 4.01Å; M149-F161 VanDerWaalsContact CA-O 3.3Å; M149-F161 WeakPolarHBondContact CA-O 3.49Å; T150-F161 PolarHBondContact N-O 3.19Å; T150-F161 PolarHBondContact O-N 2.7Å; W152-F161 HydrophobicContact CB-CE2 3.99Å; W152-F161 AromaticContact CD1-CD2 3.44Å; W152-F161 VanDerWaalsContact CD1-CD2 3.44Å; W152-F161 AromaticContact CD1-CE2 3.55Å; W152-F161 HydrophobicContact CG-CD2 4.18Å; W152-F161 AromaticContact CG-CE2 3.82Å; W152-F161 HydrophobicContact CG-CE2 3.82Å; W152-F161 AromaticContact NE1-CD2 3.93Å; L154-F161 HydrophobicContact CD1-CZ 4.49Å; F159-F161 HydrophobicContact CB-CE1 4.42Å; F159-F161 HydrophobicContact CB-CE2 3.81Å; F159-F161 HydrophobicContact CB-CZ 3.63Å; F159-F161 HydrophobicContact CD1-CZ 4.49Å; F159-F161 HydrophobicContact CG-CZ 4.3Å; F161-I208 HydrophobicContact CD1-CB 4.12Å; F161-I208 HydrophobicContact CD1-CD1 4.11Å; F161-I208 HydrophobicContact CD1-CG1 4.4Å; F161-I208 HydrophobicContact CE1-CD1 3.83Å; F161-I208 HydrophobicContact CE1-CG1 4.43Å
162V98.1Very high94.6Very high0 Ų019.6 Ų19.60%010%0.1CC..EExtended strand (participates in β ladder)trans-102.1114.5-180-175.20000108.5F147 M149 L164 M198 M207 I208 F209 A210F147-V162 HydrophobicContact CB-CG1 3.94Å; F147-V162 HydrophobicContact CD2-CG1 4.16Å; F147-V162 HydrophobicContact CG-CG1 4.29Å; M149-V162 HydrophobicContact CB-CG2 4.22Å; M149-V162 HydrophobicContact CG-CG2 3.88Å; M149-V162 HydrophobicContact SD-CG2 3.86Å; V162-L164 HydrophobicContact CG1-CD2 4.41Å; V162-M198 HydrophobicContact CG1-CE 4.28Å; V162-M198 HydrophobicContact CG2-CE 4.05Å; V162-M207 HydrophobicContact CG2-CE 3.98Å; V162-I208 PolarHBondContact N-O 3.24Å; V162-F209 HydrophobicContact CB-CD1 3.74Å; V162-F209 HydrophobicContact CB-CE1 4.1Å; V162-F209 HydrophobicContact CB-CG 4.2Å; V162-F209 HydrophobicContact CG1-CD1 3.8Å; V162-F209 HydrophobicContact CG1-CE1 4.11Å; V162-F209 HydrophobicContact CG2-CD1 3.98Å; V162-F209 HydrophobicContact CG2-CE1 3.82Å; V162-F209 HydrophobicContact CG2-CG 4.48Å; V162-F209 HydrophobicContact CG2-CZ 4.18Å; V162-A210 PolarHBondContact O-N 3.32Å
163N98.6Very high94.3Very high0 Ų020.8 Ų20.80%011%0.107CC..EExtended strand (participates in β ladder)trans-93.7120.2168.4-173.1-10.6000108.4H49 L50 Q51 I93 C94 S95 F147 M148 A210H49-N163 HydrophobicContact CB-CB 4.22Å; H49-N163 WeakPolarHBondContact ND1-CA 3.34Å; H49-N163 WeakPolarHBondContact ND1-CB 3.49Å; L50-N163 PolarHBondContact O-ND2 3.01Å; Q51-N163 WeakPolarHBondContact CG-OD1 3.48Å; Q51-N163 PolarHBondContact NE2-OD1 3.15Å; I93-N163 HydrophobicContact CD1-CB 4.41Å; C94-N163 PolarHBondContact O-ND2 3.25Å; S95-N163 WeakPolarHBondContact OG-CB 3.5Å; S95-N163 PolarHBondContact OG-ND2 2.93Å; S95-N163 VanDerWaalsContact OG-ND2 3.15Å; F147-N163 CarbonylContact C-O 3.55Å; F147-N163 WeakPolarHBondContact CA-O 3.45Å; F147-N163 WeakPolarHBondContact CB-O 3.36Å; M148-N163 PolarHBondContact N-O 3.12Å; M148-N163 PolarHBondContact O-N 2.97Å; N163-A210 VanDerWaalsContact CA-O 3.28Å; N163-A210 WeakPolarHBondContact CA-O 3.47Å
164L98.2Very high93.9Very high0 Ų020.9 Ų20.90%011%0.108CC..EExtended strand (participates in β ladder)trans-130155.7-176.865.686.1000113.9G146 F147 V162 L166 I194 F209 A210 G211 Y212 F213G146-L164 WeakPolarHBondContact O-CA 3.35Å; F147-L164 HydrophobicContact CB-CB 3.96Å; V162-L164 HydrophobicContact CG1-CD2 4.41Å; L164-L166 HydrophobicContact CD1-CD1 4.32Å; L164-L166 HydrophobicContact CD1-CG 3.92Å; L164-I194 HydrophobicContact CB-CD1 4.35Å; L164-F209 HydrophobicContact CD2-CB 4.25Å; L164-F209 HydrophobicContact CD2-CD1 4.09Å; L164-A210 PolarHBondContact N-O 3.33Å; L164-G211 WeakPolarHBondContact O-CA 3.24Å; L164-Y212 PolarHBondContact O-N 3.44Å; L164-Y212 VanDerWaalsContact O-N 3.07Å; L164-F213 HydrophobicContact CD1-CD1 3.97Å; L164-F213 HydrophobicContact CD1-CD2 4Å; L164-F213 HydrophobicContact CD1-CE1 3.99Å; L164-F213 HydrophobicContact CD1-CE2 4Å; L164-F213 HydrophobicContact CD1-CG 4Å; L164-F213 HydrophobicContact CD1-CZ 4.02Å; L164-F213 HydrophobicContact CD2-CE1 4.03Å; L164-F213 HydrophobicContact CD2-CE2 4.36Å; L164-F213 HydrophobicContact CD2-CZ 3.79Å; L164-F213 HydrophobicContact CG-CE2 4.37Å; L164-F213 HydrophobicContact CG-CZ 4.27Å
165V97.9Very high93.6Very high1 Ų121 Ų211%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-133.6126.1172.559.70000109L91 I93 V145 G146L91-V165 HydrophobicContact CB-CG1 4.49Å; L91-V165 HydrophobicContact CD2-CG1 4.33Å; I93-V165 HydrophobicContact CG2-CB 4.25Å; I93-V165 HydrophobicContact CG2-CG1 4.1Å; V145-V165 WeakPolarHBondContact CA-O 3.45Å; G146-V165 PolarHBondContact N-O 3.41Å; G146-V165 VanDerWaalsContact N-O 3.11Å; G146-V165 PolarHBondContact O-N 3.34Å
166L97.4Very high93.4Very high1 Ų121 Ų211%0.00511%0.11CC..  trans-113.9165.1175.8-59.2-179.4000110.8V145 L164 R187 F190 L191 I194 Y212 F213 N214V145-L166 HydrophobicContact CG1-CD2 3.93Å; L164-L166 HydrophobicContact CD1-CD1 4.32Å; L164-L166 HydrophobicContact CD1-CG 3.92Å; L166-R187 HydrophobicContact CB-CG 4.22Å; L166-F190 HydrophobicContact CD2-CB 4.17Å; L166-L191 HydrophobicContact CD1-CB 4.01Å; L166-L191 HydrophobicContact CD1-CD1 4.34Å; L166-L191 HydrophobicContact CD1-CD2 4.46Å; L166-I194 HydrophobicContact CD2-CD1 3.97Å; L166-Y212 PolarHBondContact N-O 3.07Å; L166-F213 WeakPolarHBondContact CB-O 3.19Å; L166-F213 HydrophobicContact CD1-CB 4.46Å; L166-F213 HydrophobicContact CD1-CD1 3.98Å; L166-N214 PolarHBondContact O-ND2 3.27Å
167N95.1Very high93Very high1 Ų120.9 Ų20.91%0.00512%0.116CC..  trans-72145.9-178.964.2-80.5000113.1V140 V145 G183 R187 N214V140-N167 HydrophobicContact CB-CB 3.57Å; V140-N167 HydrophobicContact CG1-CB 3.86Å; V140-N167 HydrophobicContact CG2-CB 3.78Å; V145-N167 HydrophobicContact CG2-CB 3.97Å; N167-G183 PolarHBondContact ND2-O 3.45Å; N167-R187 WeakPolarHBondContact O-CD 3.35Å; N167-R187 WeakPolarHBondContact O-CG 3.24Å; N167-R187 PolarHBondContact O-NH1 2.84Å; N167-R187 WeakPolarHBondContact OD1-CA 3.28Å; N167-R187 VanDerWaalsContact OD1-CG 3.32Å; N167-R187 WeakPolarHBondContact OD1-CG 3.46Å; N167-R187 PolarHBondContact OD1-N 2.89Å; N167-N214 WeakPolarHBondContact O-CB 3.31Å
168G91.9Very high92.7Very high14 Ų1424.1 Ų24.114%0.14413%0.13CC..  trans-75.2-169.617100000113.7R187 N214G168-R187 PolarHBondContact O-NH1 2.97Å; G168-N214 PolarHBondContact N-ND2 2.92Å
169E89.6Confident92.6Very high49 Ų4925.7 Ų25.723%0.22913%0.133CC..  trans-68.2144.4164.8-66.6-53.7139.600111.3S181 R187 S216E169-S181 VanDerWaalsContact CD-OG 3.28Å; E169-S181 PolarHBondContact OE1-OG 2.99Å; E169-S181 VanDerWaalsContact OE2-CB 3.23Å; E169-S181 WeakPolarHBondContact OE2-CB 3.26Å; E169-S181 PolarHBondContact OE2-OG 3.33Å; E169-R187 IonicContact OE1-CZ 3.3Å; E169-R187 IonicContact OE1-NH1 3.57Å; E169-R187 PolarHBondContact OE1-NH1 2.78Å; E169-R187 IonicContact OE1-NH2 3.52Å; E169-R187 PolarHBondContact OE1-NH2 3.16Å; E169-S216 VanDerWaalsContact CD-OG 3.3Å; E169-S216 WeakPolarHBondContact CG-OG 3.33Å; E169-S216 WeakPolarHBondContact OE1-CB 3.39Å; E169-S216 PolarHBondContact OE1-OG 3.35Å
170R85.7Confident92.4Very high95 Ų9527.3 Ų27.336%0.35814%0.143SC..SBendtrans-75.4-38.2171.6-57.6-168.2159-104.9-1.2111.9D141 E182 Q186D141-R170 IonicContact OD1-CZ 2.98Å; D141-R170 IonicContact OD1-NH1 3.76Å; D141-R170 PolarHBondContact OD1-NH1 3.39Å; D141-R170 IonicContact OD1-NH2 2.73Å; D141-R170 VanDerWaalsContact OD2-CG 3.26Å; D141-R170 WeakPolarHBondContact OD2-CG 3.42Å; D141-R170 IonicContact OD2-CZ 2.83Å; D141-R170 IonicContact OD2-NE 2.67Å; D141-R170 IonicContact OD2-NH1 3.16Å; D141-R170 PolarHBondContact OD2-NH1 2.8Å; R170-E182 IonicContact CZ-OE1 2.66Å; R170-E182 IonicContact NE-OE1 3.22Å; R170-E182 PolarHBondContact NE-OE1 2.93Å; R170-Q186 VanDerWaalsContact NE-NE2 3.19Å; R170-Q186 VanDerWaalsContact NH2-NE2 3.16Å
171S87.4Confident92.2Very high30 Ų3027.3 Ų27.321%0.2114%0.143CC..  trans-154.1135.9-177.71610000108.9L173 D174 S175 D258S171-L173 VanDerWaalsContact C-N 3.27Å; S171-L173 PolarHBondContact OG-N 2.91Å; S171-L173 VanDerWaalsContact OG-N 3.15Å; S171-D174 PolarHBondContact O-N 2.99Å; S171-D174 PolarHBondContact OG-N 2.79Å; S171-S175 PolarHBondContact O-N 3.25Å; S171-D258 WeakPolarHBondContact CB-OD1 3.02Å; S171-D258 PolarHBondContact OG-OD1 2.91Å
172L88Confident91.9Very high16 Ų1631.6 Ų31.68%0.08416%0.163CC..Hα-helixtrans-66.8-35.1174.6-179.356.4000110.6S175 C176 I256 N257 D258 F261L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 PolarHBondContact O-OG 2.98Å; L172-C176 PolarHBondContact O-N 2.88Å; L172-C176 PolarHBondContact O-SG 3.16Å; L172-I256 HydrophobicContact CD2-CG2 3.99Å; L172-I256 HydrophobicContact CG-CG2 3.84Å; L172-N257 VanDerWaalsContact CD2-O 3.24Å; L172-N257 WeakPolarHBondContact CD2-O 3.31Å; L172-D258 PolarHBondContact N-OD1 3.15Å; L172-F261 HydrophobicContact CD1-CD2 3.8Å; L172-F261 HydrophobicContact CD1-CE2 4.21Å; L172-F261 HydrophobicContact CD2-CB 3.67Å; L172-F261 HydrophobicContact CD2-CD2 3.78Å; L172-F261 HydrophobicContact CD2-CG 4.13Å; L172-F261 HydrophobicContact CG-CD2 4.16Å
173L90.6Very high91.7Very high25 Ų2531.6 Ų31.613%0.13116%0.163CC..Hα-helixtrans-65.9-38176.1-70.9172.2000113.3S171 S175 C176 S177 D241 I243 D258S171-L173 VanDerWaalsContact C-N 3.27Å; S171-L173 PolarHBondContact OG-N 2.91Å; S171-L173 VanDerWaalsContact OG-N 3.15Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.84Å; L173-C176 WeakPolarHBondContact O-CB 3.49Å; L173-C176 PolarHBondContact O-N 2.8Å; L173-C176 VanDerWaalsContact O-N 3.13Å; L173-S177 PolarHBondContact O-N 2.85Å; L173-D241 WeakPolarHBondContact CD1-O 3.36Å; L173-I243 HydrophobicContact CD2-CD1 3.98Å; L173-I243 HydrophobicContact CD2-CG1 3.95Å; L173-D258 PolarHBondContact N-OD1 2.84Å
174D87.4Confident91.5Very high41 Ų4131.6 Ų31.622%0.21916%0.163CC..Hα-helixtrans-56.4-47.3174.8-178.351000110.6S171 C176 S177 K178 E182S171-D174 PolarHBondContact O-N 2.99Å; S171-D174 PolarHBondContact OG-N 2.79Å; D174-C176 PolarHBondContact O-N 2.91Å; D174-C176 VanDerWaalsContact O-N 3.14Å; D174-S177 PolarHBondContact O-N 2.81Å; D174-S177 PolarHBondContact O-OG 2.88Å; D174-K178 PolarHBondContact O-N 3.36Å; D174-E182 PolarHBondContact OD2-N 3.49Å
175S90.1Very high91.4Very high1 Ų134.5 Ų34.51%0.00718%0.177CC..Hα-helixtrans-62.3-21.7179.480.40000114.5S171 L172 L173 S220S171-S175 PolarHBondContact O-N 3.25Å; L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 PolarHBondContact O-OG 2.98Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.84Å; S175-S220 PolarHBondContact O-N 2.91Å; S175-S220 VanDerWaalsContact O-N 3.15Å
176C90.6Very high91.2Very high12 Ų1236 Ų368%0.08118%0.184CC..Hα-helixtrans-75.9-34175-61.50000111.8L172 L173 D174 V219 S220 I223 I243L172-C176 PolarHBondContact O-N 2.88Å; L172-C176 PolarHBondContact O-SG 3.16Å; L173-C176 WeakPolarHBondContact O-CB 3.49Å; L173-C176 PolarHBondContact O-N 2.8Å; L173-C176 VanDerWaalsContact O-N 3.13Å; D174-C176 PolarHBondContact O-N 2.91Å; D174-C176 VanDerWaalsContact O-N 3.14Å; C176-V219 HydrophobicContact CB-CG1 4.49Å; C176-V219 VanDerWaalsContact SG-CG1 3.58Å; C176-S220 WeakPolarHBondContact O-CA 3.36Å; C176-S220 VanDerWaalsContact O-CB 3.28Å; C176-S220 WeakPolarHBondContact O-CB 3.19Å; C176-S220 PolarHBondContact O-OG 2.98Å; C176-I223 HydrophobicContact CB-CD1 3.65Å; C176-I223 WeakPolarHBondContact SG-CD1 3.26Å; C176-I243 HydrophobicContact CB-CD1 3.59Å
177S86.5Confident91.2Very high88 Ų8836 Ų3662%0.61518%0.183SC*.Hα-helixtrans-88.7-30.6-171.375.10000113.5L173 D174L173-S177 PolarHBondContact O-N 2.85Å; D174-S177 PolarHBondContact O-N 2.81Å; D174-S177 PolarHBondContact O-OG 2.88Å
178K88.1Confident91.2Very high106 Ų10639.4 Ų39.446%0.46120%0.198SC..SBendtrans-140142.9-171.5-175.8-168.8166.2-165.10110.8D174 P180D174-K178 PolarHBondContact O-N 3.36Å; K178-P180 WeakPolarHBondContact CE-O 3.4Å; K178-P180 WeakPolarHBondContact CG-O 3.07Å
179W92.1Very high91.5Very high59 Ų5944.2 Ų44.222%0.22322%0.217CC..SBendtrans-135.9132170.6-169.8-105.9000111.9S216 I217 D218 T284 E285W179-S216 WeakPolarHBondContact CH2-O 3.35Å; W179-I217 VanDerWaalsContact CH2-O 3.32Å; W179-I217 WeakPolarHBondContact CH2-O 3.5Å; W179-I217 WeakPolarHBondContact CZ3-O 3.26Å; W179-D218 WeakPolarHBondContact CB-OD1 3.39Å; W179-D218 VanDerWaalsContact CD1-CG 3.45Å; W179-D218 VanDerWaalsContact CD1-OD2 3.28Å; W179-D218 HydrophobicContact CD2-CB 3.68Å; W179-D218 VanDerWaalsContact CD2-CG 3.48Å; W179-D218 VanDerWaalsContact CE2-CB 3.49Å; W179-D218 HydrophobicContact CE3-CB 4.14Å; W179-D218 HydrophobicContact CG-CB 4.1Å; W179-D218 VanDerWaalsContact CG-OD1 3.31Å; W179-D218 HydrophobicContact CH2-CB 4.26Å; W179-D218 HydrophobicContact CZ2-CB 3.8Å; W179-D218 HydrophobicContact CZ3-CB 4.41Å; W179-T284 WeakPolarHBondContact CZ2-OG1 3.29Å; W179-T284 PolarHBondContact NE1-OG1 2.78Å; W179-E285 HydrophobicContact CH2-CG 3.68Å; W179-E285 WeakPolarHBondContact CH2-OE1 3.37Å; W179-E285 HydrophobicContact CZ2-CG 3.58Å
180P92.1Very high91.9Very high33 Ų3343.3 Ų43.321%0.21421%0.212CC..SBendcis-59151.5-12.4-21.134.3000112.2K178 E185K178-P180 WeakPolarHBondContact CE-O 3.4Å; K178-P180 WeakPolarHBondContact CG-O 3.07Å; P180-E185 HydrophobicContact CB-CG 4.23Å; P180-E185 WeakPolarHBondContact CG-OE1 3.48Å
181S93.1Very high92.4Very high0 Ų038.8 Ų38.80%020%0.195CC..  trans-66.9170.7173.165.70000110.9E169 G183 G184 E185E169-S181 VanDerWaalsContact CD-OG 3.28Å; E169-S181 PolarHBondContact OE1-OG 2.99Å; E169-S181 VanDerWaalsContact OE2-CB 3.23Å; E169-S181 WeakPolarHBondContact OE2-CB 3.26Å; E169-S181 PolarHBondContact OE2-OG 3.33Å; S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 3.1Å; S181-G183 PolarHBondContact OG-N 2.91Å; S181-G184 PolarHBondContact O-N 3.31Å; S181-G184 PolarHBondContact OG-N 2.66Å; S181-E185 PolarHBondContact O-N 3.03Å
182E91.9Very high92.9Very high91 Ų9139.3 Ų39.343%0.42520%0.196SC..Hα-helixtrans-60.2-39.5171.7-168.8-176.2160.800111.9R170 D174 E185 Q186R170-E182 IonicContact CZ-OE1 2.66Å; R170-E182 IonicContact NE-OE1 3.22Å; R170-E182 PolarHBondContact NE-OE1 2.93Å; D174-E182 PolarHBondContact OD2-N 3.49Å; E182-E185 PolarHBondContact O-N 3.07Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 2.89Å; E182-Q186 VanDerWaalsContact O-N 3.13Å; E182-Q186 PolarHBondContact OE1-NE2 3.15Å; E182-Q186 VanDerWaalsContact OE1-NE2 3.15Å
183G93.1Very high93.3Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-61.1-43174.800000112.4N167 S181 Q186 R187N167-G183 PolarHBondContact ND2-O 3.45Å; S181-G183 VanDerWaalsContact C-N 3.26Å; S181-G183 PolarHBondContact O-N 3.1Å; S181-G183 PolarHBondContact OG-N 2.91Å; G183-Q186 PolarHBondContact O-N 2.82Å; G183-R187 PolarHBondContact O-N 3.41Å
184G95Very high93.6Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-63.7-42.6176.800000113.7S181 Q186 R187 K188 Y289S181-G184 PolarHBondContact O-N 3.31Å; S181-G184 PolarHBondContact OG-N 2.66Å; G184-Q186 PolarHBondContact O-N 3.27Å; G184-R187 VanDerWaalsContact CA-NH2 3.29Å; G184-R187 WeakPolarHBondContact O-CB 3.45Å; G184-R187 PolarHBondContact O-N 3.37Å; G184-K188 WeakPolarHBondContact O-CB 3.4Å; G184-K188 PolarHBondContact O-N 3.18Å; G184-Y289 WeakPolarHBondContact CA-OH 3.22Å; G184-Y289 WeakPolarHBondContact O-CE2 3.46Å; G184-Y289 PolarHBondContact O-OH 2.91Å
185E95Very high94Very high62 Ų6239.7 Ų39.729%0.2920%0.195SC..Hα-helixtrans-63.8-40.5175.4-71.9-63.4166.300112.2P180 S181 E182 K188 Q189P180-E185 HydrophobicContact CB-CG 4.23Å; P180-E185 WeakPolarHBondContact CG-OE1 3.48Å; S181-E185 PolarHBondContact O-N 3.03Å; E182-E185 PolarHBondContact O-N 3.07Å; E185-K188 PolarHBondContact O-N 3.49Å; E185-Q189 WeakPolarHBondContact O-CG 2.75Å; E185-Q189 PolarHBondContact O-N 3.29Å; E185-Q189 VanDerWaalsContact O-N 3.07Å
186Q95.1Very high94.2Very high33 Ų3344.4 Ų44.415%0.15422%0.22CC..Hα-helixtrans-65.5-43.7175.5-71174.520.400111.3R170 E182 G183 G184 K188 Q189 F190R170-Q186 VanDerWaalsContact NE-NE2 3.19Å; R170-Q186 VanDerWaalsContact NH2-NE2 3.16Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 2.89Å; E182-Q186 VanDerWaalsContact O-N 3.13Å; E182-Q186 PolarHBondContact OE1-NE2 3.15Å; E182-Q186 VanDerWaalsContact OE1-NE2 3.15Å; G183-Q186 PolarHBondContact O-N 2.82Å; G184-Q186 PolarHBondContact O-N 3.27Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 3.42Å; Q186-Q189 PolarHBondContact O-N 2.96Å; Q186-Q189 VanDerWaalsContact O-N 3.16Å; Q186-F190 VanDerWaalsContact O-CD2 3.24Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.84Å
187R95.8Very high94.3Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-55.6-47.2173.8-83.8-164.4-65.1-75.42111.6L166 N167 G168 E169 G183 G184 Q189 F190 L191 F213 N214 E285 Y289L166-R187 HydrophobicContact CB-CG 4.22Å; N167-R187 WeakPolarHBondContact O-CD 3.35Å; N167-R187 WeakPolarHBondContact O-CG 3.24Å; N167-R187 PolarHBondContact O-NH1 2.84Å; N167-R187 WeakPolarHBondContact OD1-CA 3.28Å; N167-R187 VanDerWaalsContact OD1-CG 3.32Å; N167-R187 WeakPolarHBondContact OD1-CG 3.46Å; N167-R187 PolarHBondContact OD1-N 2.89Å; G168-R187 PolarHBondContact O-NH1 2.97Å; E169-R187 IonicContact OE1-CZ 3.3Å; E169-R187 IonicContact OE1-NH1 3.57Å; E169-R187 PolarHBondContact OE1-NH1 2.78Å; E169-R187 IonicContact OE1-NH2 3.52Å; E169-R187 PolarHBondContact OE1-NH2 3.16Å; G183-R187 PolarHBondContact O-N 3.41Å; G184-R187 VanDerWaalsContact CA-NH2 3.29Å; G184-R187 WeakPolarHBondContact O-CB 3.45Å; G184-R187 PolarHBondContact O-N 3.37Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; R187-Q189 PolarHBondContact O-N 3.34Å; R187-F190 PolarHBondContact O-N 2.66Å; R187-L191 VanDerWaalsContact O-CB 3.27Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.42Å; R187-F213 WeakPolarHBondContact CD-O 3.42Å; R187-N214 WeakPolarHBondContact CD-O 3.31Å; R187-N214 PolarHBondContact NE-O 3.14Å; R187-N214 PolarHBondContact NH1-O 3.11Å; R187-E285 IonicContact CZ-OE1 3.89Å; R187-E285 IonicContact CZ-OE2 3.54Å; R187-E285 VanDerWaalsContact CZ-OE2 3.28Å; R187-E285 IonicContact NE-OE1 3.78Å; R187-E285 IonicContact NE-OE2 3.38Å; R187-E285 PolarHBondContact NE-OE2 3.03Å; R187-E285 IonicContact NH2-OE1 2.91Å; R187-E285 PolarHBondContact NH2-OE1 3.2Å; R187-E285 IonicContact NH2-OE2 2.84Å; R187-E285 PolarHBondContact NH2-OE2 3.18Å; R187-Y289 HydrophobicContact CB-CE2 4.42Å
188K96.8Very high94.6Very high72 Ų7244.3 Ų44.331%0.31321%0.205SC..Hα-helixtrans-58.2-44.7178-177.9-177.2177.8-1770111.6G184 E185 Q186 N192 Y289G184-K188 WeakPolarHBondContact O-CB 3.4Å; G184-K188 PolarHBondContact O-N 3.18Å; E185-K188 PolarHBondContact O-N 3.49Å; Q186-K188 VanDerWaalsContact C-N 3.31Å; Q186-K188 PolarHBondContact O-N 3.42Å; K188-N192 WeakPolarHBondContact O-CB 2.84Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 3.04Å; K188-Y289 HydrophobicContact CB-CD1 3.97Å; K188-Y289 HydrophobicContact CB-CD2 3.86Å; K188-Y289 HydrophobicContact CB-CE1 4.05Å; K188-Y289 HydrophobicContact CB-CE2 3.92Å; K188-Y289 HydrophobicContact CB-CG 3.89Å; K188-Y289 HydrophobicContact CD-CD1 3.74Å; K188-Y289 HydrophobicContact CD-CE1 3.95Å; K188-Y289 HydrophobicContact CD-CG 4.35Å; K188-Y289 HydrophobicContact CG-CD1 3.78Å; K188-Y289 HydrophobicContact CG-CD2 4.35Å; K188-Y289 HydrophobicContact CG-CE1 4.23Å; K188-Y289 HydrophobicContact CG-CG 3.86Å
189Q97.2Very high94.5Very high115 Ų11542.8 Ų42.854%0.53720%0.202SC..Hα-helixtrans-63.7-44.8178.8-7117417.600112.3E185 Q186 R187 N192 Q193E185-Q189 WeakPolarHBondContact O-CG 2.75Å; E185-Q189 PolarHBondContact O-N 3.29Å; E185-Q189 VanDerWaalsContact O-N 3.07Å; Q186-Q189 PolarHBondContact O-N 2.96Å; Q186-Q189 VanDerWaalsContact O-N 3.16Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; R187-Q189 PolarHBondContact O-N 3.34Å; Q189-N192 PolarHBondContact O-N 2.77Å; Q189-Q193 WeakPolarHBondContact O-CG 3.39Å; Q189-Q193 PolarHBondContact O-N 3.22Å; Q189-Q193 VanDerWaalsContact O-N 3.14Å; Q189-Q193 PolarHBondContact O-NE2 2.99Å
190F97.7Very high93.9Very high30 Ų3044.9 Ų44.913%0.13222%0.221CC..Hα-helixtrans-68.8-42.7177.7-75.2-61.4000112.4L137 V140 V145 L166 Q186 R187 N192 Q193 I194L137-F190 HydrophobicContact CB-CD1 3.78Å; L137-F190 HydrophobicContact CB-CE1 3.98Å; L137-F190 HydrophobicContact CD1-CD1 4.24Å; V140-F190 HydrophobicContact CG2-CE2 3.68Å; V140-F190 HydrophobicContact CG2-CZ 4.37Å; V145-F190 HydrophobicContact CB-CD1 4.47Å; V145-F190 HydrophobicContact CB-CD2 4.39Å; V145-F190 HydrophobicContact CB-CG 4.35Å; V145-F190 HydrophobicContact CG1-CB 3.6Å; V145-F190 HydrophobicContact CG1-CD1 3.84Å; V145-F190 HydrophobicContact CG1-CD2 3.87Å; V145-F190 HydrophobicContact CG1-CE1 4.47Å; V145-F190 HydrophobicContact CG1-CG 3.5Å; V145-F190 HydrophobicContact CG2-CD2 4.3Å; V145-F190 HydrophobicContact CG2-CE2 4.38Å; L166-F190 HydrophobicContact CD2-CB 4.17Å; Q186-F190 VanDerWaalsContact O-CD2 3.24Å; Q186-F190 WeakPolarHBondContact O-CD2 3.46Å; Q186-F190 PolarHBondContact O-N 2.84Å; R187-F190 PolarHBondContact O-N 2.66Å; F190-N192 VanDerWaalsContact C-N 3.29Å; F190-N192 PolarHBondContact O-N 2.95Å; F190-Q193 WeakPolarHBondContact O-CB 3.33Å; F190-Q193 PolarHBondContact O-N 3.19Å; F190-Q193 VanDerWaalsContact O-N 3.15Å; F190-I194 WeakPolarHBondContact O-CG1 3.39Å; F190-I194 PolarHBondContact O-N 3.14Å
191L97.5Very high93.3Very high0 Ų046.5 Ų46.50%022%0.223CC..Hα-helixtrans-59.1-43.6175.6-178.755.3000110.7L166 R187 Q193 I194 L195 F213 M215 V290L166-L191 HydrophobicContact CD1-CB 4.01Å; L166-L191 HydrophobicContact CD1-CD1 4.34Å; L166-L191 HydrophobicContact CD1-CD2 4.46Å; R187-L191 VanDerWaalsContact O-CB 3.27Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.42Å; L191-Q193 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 3.21Å; L191-I194 PolarHBondContact O-N 3.34Å; L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CD2 4.5Å; L191-L195 HydrophobicContact CD1-CG 4.21Å; L191-L195 HydrophobicContact CG-CD1 4.13Å; L191-L195 HydrophobicContact CG-CG 4.45Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.11Å; L191-L195 PolarHBondContact O-N 2.65Å; L191-F213 HydrophobicContact CD1-CD1 4.49Å; L191-F213 HydrophobicContact CD1-CE1 4.03Å; L191-F213 HydrophobicContact CD2-CD1 4.47Å; L191-F213 HydrophobicContact CD2-CE1 4.48Å; L191-M215 HydrophobicContact CD2-CE 3.78Å; L191-V290 HydrophobicContact CD2-CG1 3.69Å; L191-V290 HydrophobicContact CG-CG1 4.38Å
192N97Very high92.7Very high41 Ų4147.1 Ų47.122%0.21923%0.226CC..Hα-helixtrans-59.3-43.3175.1-74.6-13.8000112.5K188 Q189 F190 I194 L195 D196 R293K188-N192 WeakPolarHBondContact O-CB 2.84Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 3.04Å; Q189-N192 PolarHBondContact O-N 2.77Å; F190-N192 VanDerWaalsContact C-N 3.29Å; F190-N192 PolarHBondContact O-N 2.95Å; N192-I194 VanDerWaalsContact C-N 3.32Å; N192-I194 PolarHBondContact O-N 3.5Å; N192-L195 PolarHBondContact O-N 3.35Å; N192-D196 WeakPolarHBondContact O-CB 3.23Å; N192-D196 PolarHBondContact O-N 3.32Å; N192-R293 PolarHBondContact OD1-NH2 3.15Å
193Q96.7Very high91.8Very high90 Ų9049.6 Ų49.642%0.42124%0.237SC..Hα-helixtrans-60-41.1176.4-72.9171.567.100112.5L137 Q189 F190 L191 R197L137-Q193 HydrophobicContact CD1-CB 4.11Å; Q189-Q193 WeakPolarHBondContact O-CG 3.39Å; Q189-Q193 PolarHBondContact O-N 3.22Å; Q189-Q193 VanDerWaalsContact O-N 3.14Å; Q189-Q193 PolarHBondContact O-NE2 2.99Å; F190-Q193 WeakPolarHBondContact O-CB 3.33Å; F190-Q193 PolarHBondContact O-N 3.19Å; F190-Q193 VanDerWaalsContact O-N 3.15Å; L191-Q193 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 3.21Å; Q193-R197 PolarHBondContact O-N 3.4Å; Q193-R197 VanDerWaalsContact O-N 3.12Å
194I96.7Very high91.1Very high1 Ų156.1 Ų56.11%0.00527%0.268CS..Hα-helixtrans-61.8-49.2174.7-61.5174.8000109.8L137 F147 L164 L166 F190 L191 N192 D196 R197 M198 F209L137-I194 HydrophobicContact CD1-CD1 4.17Å; L137-I194 HydrophobicContact CD1-CG1 3.49Å; L137-I194 VanDerWaalsContact CD1-CG1 3.49Å; F147-I194 HydrophobicContact CB-CD1 4.37Å; F147-I194 HydrophobicContact CD1-CD1 4.39Å; F147-I194 HydrophobicContact CD1-CG1 3.97Å; F147-I194 HydrophobicContact CD1-CG2 4.03Å; F147-I194 HydrophobicContact CG-CG2 4.29Å; L164-I194 HydrophobicContact CB-CD1 4.35Å; L166-I194 HydrophobicContact CD2-CD1 3.97Å; F190-I194 WeakPolarHBondContact O-CG1 3.39Å; F190-I194 PolarHBondContact O-N 3.14Å; L191-I194 PolarHBondContact O-N 3.34Å; N192-I194 VanDerWaalsContact C-N 3.32Å; N192-I194 PolarHBondContact O-N 3.5Å; I194-D196 PolarHBondContact O-N 2.8Å; I194-R197 WeakPolarHBondContact O-CB 3.48Å; I194-R197 PolarHBondContact O-N 2.95Å; I194-M198 HydrophobicContact CG2-CG 4.43Å; I194-M198 VanDerWaalsContact O-CG 3.29Å; I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.15Å; I194-F209 HydrophobicContact CG2-CE1 4.43Å
195L96.2Very high90.8Very high0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-64.1-43.1-178.2-62.8178.2000112.2L191 N192 R197 M198 D199 M202 F209 V290 L294L191-L195 HydrophobicContact CD1-CD1 4.31Å; L191-L195 HydrophobicContact CD1-CD2 4.5Å; L191-L195 HydrophobicContact CD1-CG 4.21Å; L191-L195 HydrophobicContact CG-CD1 4.13Å; L191-L195 HydrophobicContact CG-CG 4.45Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.11Å; L191-L195 PolarHBondContact O-N 2.65Å; N192-L195 PolarHBondContact O-N 3.35Å; L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 3Å; L195-M198 CarbonylContact O-C 3.55Å; L195-M198 PolarHBondContact O-N 2.87Å; L195-D199 PolarHBondContact O-N 2.87Å; L195-M202 HydrophobicContact CB-CE 4.34Å; L195-M202 HydrophobicContact CD2-SD 4.28Å; L195-M202 WeakPolarHBondContact O-CE 3.33Å; L195-F209 HydrophobicContact CD2-CD1 4.48Å; L195-F209 HydrophobicContact CD2-CE1 3.98Å; L195-F209 HydrophobicContact CD2-CZ 4.22Å; L195-V290 HydrophobicContact CD1-CB 4.31Å; L195-V290 HydrophobicContact CD1-CG1 4.02Å; L195-L294 HydrophobicContact CD1-CD1 4.33Å; L195-L294 HydrophobicContact CD2-CD1 3.4Å; L195-L294 VanDerWaalsContact CD2-CD1 3.4Å; L195-L294 HydrophobicContact CD2-CD2 4.49Å; L195-L294 HydrophobicContact CD2-CG 3.98Å; L195-L294 HydrophobicContact CG-CD1 4.49Å
196D94.5Very high90.8Very high100 Ų10053.8 Ų53.854%0.53526%0.258SS..Hα-helixtrans-64.3-33.5179.8-62.9-11000111N192 I194 D199 R293N192-D196 WeakPolarHBondContact O-CB 3.23Å; N192-D196 PolarHBondContact O-N 3.32Å; I194-D196 PolarHBondContact O-N 2.8Å; D196-D199 WeakPolarHBondContact O-CB 3.17Å; D196-R293 IonicContact OD1-NH1 2.68Å; D196-R293 PolarHBondContact OD1-NH1 2.92Å; D196-R293 VanDerWaalsContact OD1-NH1 3.15Å
197R92.3Very high90.9Very high98 Ų9852.2 Ų52.237%0.3725%0.25SS..Hα-helixtrans-66.6-43.2171.1-175-172.8177.998.8-13.3111.7D133 E135 Q193 I194 L195 D199D133-R197 IonicContact OD1-CZ 3.62Å; D133-R197 IonicContact OD1-NH2 3.24Å; D133-R197 PolarHBondContact OD1-NH2 3.03Å; D133-R197 IonicContact OD2-CZ 3.76Å; D133-R197 IonicContact OD2-NE 3.81Å; D133-R197 PolarHBondContact OD2-NE 2.67Å; D133-R197 IonicContact OD2-NH2 3.36Å; D133-R197 PolarHBondContact OD2-NH2 3.33Å; E135-R197 WeakPolarHBondContact OE2-CD 3.41Å; E135-R197 IonicContact OE2-CZ 2.91Å; E135-R197 IonicContact OE2-NE 3.89Å; E135-R197 IonicContact OE2-NH1 3.93Å; E135-R197 PolarHBondContact OE2-NH1 3.26Å; E135-R197 IonicContact OE2-NH2 3.12Å; Q193-R197 PolarHBondContact O-N 3.4Å; Q193-R197 VanDerWaalsContact O-N 3.12Å; I194-R197 WeakPolarHBondContact O-CB 3.48Å; I194-R197 PolarHBondContact O-N 2.95Å; L195-R197 VanDerWaalsContact C-N 3.25Å; L195-R197 PolarHBondContact O-N 3Å; R197-D199 PolarHBondContact O-N 2.96Å
198M93Very high91Very high0 Ų052.3 Ų52.30%025%0.251CS..Hα-helixtrans-75.6-10.1-178.6-63.1-53.1179.900113.6F147 M149 V162 I194 L195 T200 Y201 M202 M207 F209F147-M198 HydrophobicContact CD1-CE 4.49Å; F147-M198 HydrophobicContact CD2-CE 3.42Å; F147-M198 VanDerWaalsContact CD2-CE 3.42Å; F147-M198 HydrophobicContact CE1-CE 4.21Å; F147-M198 HydrophobicContact CE2-CE 3.12Å; F147-M198 HydrophobicContact CG-CE 4.14Å; F147-M198 HydrophobicContact CZ-CE 3.57Å; M149-M198 HydrophobicContact CB-CE 4.15Å; M149-M198 HydrophobicContact CE-CE 4.42Å; M149-M198 HydrophobicContact CE-SD 4.14Å; M149-M198 HydrophobicContact SD-CE 3.69Å; M149-M198 HydrophobicContact SD-SD 3.59Å; V162-M198 HydrophobicContact CG1-CE 4.28Å; V162-M198 HydrophobicContact CG2-CE 4.05Å; I194-M198 HydrophobicContact CG2-CG 4.43Å; I194-M198 VanDerWaalsContact O-CG 3.29Å; I194-M198 WeakPolarHBondContact O-CG 3.22Å; I194-M198 PolarHBondContact O-N 3.15Å; L195-M198 CarbonylContact O-C 3.55Å; L195-M198 PolarHBondContact O-N 2.87Å; M198-T200 PolarHBondContact O-N 2.85Å; M198-T200 VanDerWaalsContact O-N 3.09Å; M198-Y201 PolarHBondContact O-N 2.87Å; M198-Y201 HydrophobicContact SD-CD2 4.19Å; M198-M202 HydrophobicContact CB-CE 4.3Å; M198-M202 HydrophobicContact CB-CG 4.05Å; M198-M202 HydrophobicContact CB-SD 4.34Å; M198-M202 WeakPolarHBondContact O-CG 3.45Å; M198-M202 PolarHBondContact O-N 2.83Å; M198-M207 HydrophobicContact CB-CE 4.24Å; M198-M207 HydrophobicContact CG-CE 4.27Å; M198-M207 HydrophobicContact SD-CE 4.1Å; M198-F209 HydrophobicContact CB-CE1 4.42Å; M198-F209 HydrophobicContact CB-CZ 4.1Å; M198-F209 HydrophobicContact CG-CE1 3.97Å; M198-F209 HydrophobicContact CG-CZ 4.08Å
199D86.4Confident91.1Very high74 Ų7448.9 Ų48.940%0.39624%0.236SC..Hα-helixtrans-56.6-31.2-177.1-152.549.5000112.2L195 D196 R197 Y201 M202 H203L195-D199 PolarHBondContact O-N 2.87Å; D196-D199 WeakPolarHBondContact O-CB 3.17Å; R197-D199 PolarHBondContact O-N 2.96Å; D199-Y201 PolarHBondContact O-N 2.81Å; D199-M202 HydrophobicContact CB-CE 4.09Å; D199-H203 IonicContact OD1-NE2 3.55Å
200T79Confident91.2Very high103 Ų10343.5 Ų43.563%0.63221%0.211SC*.Hα-helixtrans-60.2-27.6174.8-41.10000113M198M198-T200 PolarHBondContact O-N 2.85Å; M198-T200 VanDerWaalsContact O-N 3.09Å
201Y79.9Confident91.1Very high67 Ų6742 Ų4226%0.26321%0.205SC..Hα-helixtrans-111.4-29.6-174.3-50.3-62.5000113.1M149 M198 D199 H203 E204 D205M149-Y201 HydrophobicContact CE-CD2 4.25Å; M149-Y201 HydrophobicContact CE-CE2 4.19Å; M198-Y201 PolarHBondContact O-N 2.87Å; M198-Y201 HydrophobicContact SD-CD2 4.19Å; D199-Y201 PolarHBondContact O-N 2.81Å; Y201-H203 PolarHBondContact O-N 2.84Å; Y201-E204 PolarHBondContact O-N 2.91Å; Y201-D205 PolarHBondContact O-N 3.4Å; Y201-D205 VanDerWaalsContact O-N 3.12Å
202M79.3Confident91.1Very high12 Ų1242.6 Ų42.66%0.05921%0.207CC..Hα-helixtrans-58.4-20.5-172.8-82.6-168.8-63.400114.6L195 M198 D199 M207 F209 L294 N336L195-M202 HydrophobicContact CB-CE 4.34Å; L195-M202 HydrophobicContact CD2-SD 4.28Å; L195-M202 WeakPolarHBondContact O-CE 3.33Å; M198-M202 HydrophobicContact CB-CE 4.3Å; M198-M202 HydrophobicContact CB-CG 4.05Å; M198-M202 HydrophobicContact CB-SD 4.34Å; M198-M202 WeakPolarHBondContact O-CG 3.45Å; M198-M202 PolarHBondContact O-N 2.83Å; D199-M202 HydrophobicContact CB-CE 4.09Å; M202-M207 VanDerWaalsContact CA-SD 3.55Å; M202-M207 HydrophobicContact CB-SD 4.1Å; M202-M207 HydrophobicContact CG-SD 3.43Å; M202-M207 WeakPolarHBondContact CG-SD 3.32Å; M202-F209 HydrophobicContact CG-CZ 4.29Å; M202-F209 HydrophobicContact SD-CE2 4.41Å; M202-F209 HydrophobicContact SD-CZ 4.08Å; M202-L294 HydrophobicContact SD-CD2 4.35Å; M202-N336 PolarHBondContact O-ND2 3.11Å
203H73.8Confident91.1Very high143 Ų14340.7 Ų40.766%0.66220%0.197SC*.THydrogen-bonded Turntrans-90.3-22.2178.5-63.2-54.6000114.2D199 Y201D199-H203 IonicContact OD1-NE2 3.55Å; Y201-H203 PolarHBondContact O-N 2.84Å
204E79.1Confident91.1Very high137 Ų13737 Ų3764%0.6418%0.18SC*.THydrogen-bonded Turntrans-100.4-42.2-173.8-61.4-170.8167.200111.6Y201Y201-E204 PolarHBondContact O-N 2.91Å
205D88.1Confident91Very high12 Ų1237 Ų376%0.06418%0.18CC..SBendtrans-106.7155.6-165.9-61.1-40.7000112.4R151 P158 Y201 M207 N336R151-D205 IonicContact CZ-OD2 3.68Å; R151-D205 IonicContact NE-OD2 3.94Å; R151-D205 IonicContact NH1-OD2 3.62Å; R151-D205 PolarHBondContact NH1-OD2 2.94Å; R151-D205 IonicContact NH2-OD2 3.36Å; R151-D205 PolarHBondContact NH2-OD2 3.24Å; P158-D205 HydrophobicContact CB-CB 4.26Å; P158-D205 WeakPolarHBondContact CB-OD1 3.22Å; P158-D205 HydrophobicContact CG-CB 4.36Å; P158-D205 WeakPolarHBondContact CG-OD1 3.36Å; Y201-D205 PolarHBondContact O-N 3.4Å; Y201-D205 VanDerWaalsContact O-N 3.12Å; D205-M207 PolarHBondContact O-N 3.22Å; D205-N336 PolarHBondContact O-ND2 3.25Å
206S95.1Very high90.8Very high1 Ų137.2 Ų37.21%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-79.1114.4171.8-61.50000108.8P158 F159 D160 R342P158-S206 PolarHBondContact O-N 3.39Å; F159-S206 CarbonylContact C-O 3.54Å; F159-S206 VanDerWaalsContact CA-O 3.28Å; F159-S206 WeakPolarHBondContact CA-O 3.45Å; D160-S206 PolarHBondContact N-O 3.39Å; S206-R342 WeakPolarHBondContact OG-CD 3.47Å; S206-R342 PolarHBondContact OG-NH1 3.2Å
207M96.8Very high90.8Very high0 Ų032.5 Ų32.50%016%0.156CC..EExtended strand (participates in β ladder)trans-115.6138.1-173.1-56.3-164.473.200112.3M149 D160 V162 M198 M202 D205 F209 M335 N336M149-M207 HydrophobicContact SD-CE 3.78Å; D160-M207 HydrophobicContact CB-CE 3.71Å; D160-M207 HydrophobicContact CB-CG 4.01Å; D160-M207 WeakPolarHBondContact O-CA 3.46Å; V162-M207 HydrophobicContact CG2-CE 3.98Å; M198-M207 HydrophobicContact CB-CE 4.24Å; M198-M207 HydrophobicContact CG-CE 4.27Å; M198-M207 HydrophobicContact SD-CE 4.1Å; M202-M207 VanDerWaalsContact CA-SD 3.55Å; M202-M207 HydrophobicContact CB-SD 4.1Å; M202-M207 HydrophobicContact CG-SD 3.43Å; M202-M207 WeakPolarHBondContact CG-SD 3.32Å; D205-M207 PolarHBondContact O-N 3.22Å; M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 3.77Å; M207-F209 HydrophobicContact CE-CE2 4.34Å; M207-F209 HydrophobicContact CE-CZ 3.99Å; M207-F209 HydrophobicContact SD-CE2 4.37Å; M207-F209 HydrophobicContact SD-CZ 4.31Å; M207-M335 WeakPolarHBondContact O-CA 3.32Å; M207-N336 HydrophobicContact CB-CB 4.4Å; M207-N336 PolarHBondContact N-OD1 2.69Å; M207-N336 PolarHBondContact O-N 3.29Å; M207-N336 PolarHBondContact O-OD1 3.26Å
208I98.1Very high91Very high2 Ų228.6 Ų28.61%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-120128.7172.1-60.1-177.8000109F11 D160 F161 V162 A210 I333 L339F11-I208 HydrophobicContact CD1-CD1 3.51Å; F11-I208 HydrophobicContact CD2-CD1 3.5Å; F11-I208 HydrophobicContact CE1-CD1 3.33Å; F11-I208 HydrophobicContact CE2-CD1 3.28Å; F11-I208 HydrophobicContact CG-CD1 3.6Å; F11-I208 HydrophobicContact CZ-CD1 3.18Å; D160-I208 PolarHBondContact O-N 3.45Å; F161-I208 HydrophobicContact CD1-CB 4.12Å; F161-I208 HydrophobicContact CD1-CD1 4.11Å; F161-I208 HydrophobicContact CD1-CG1 4.4Å; F161-I208 HydrophobicContact CE1-CD1 3.83Å; F161-I208 HydrophobicContact CE1-CG1 4.43Å; V162-I208 PolarHBondContact N-O 3.24Å; I208-A210 HydrophobicContact CG2-CB 4.47Å; I208-I333 HydrophobicContact CG2-CG2 3.65Å; I208-L339 HydrophobicContact CD1-CD2 3.62Å; I208-L339 HydrophobicContact CG1-CD2 3.19Å
209F98.4Very high91.1Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-110108.7172.7-62.6-105.5000107.4V162 L164 I194 L195 M198 M202 M207 F213 L294 I333 V334V162-F209 HydrophobicContact CB-CD1 3.74Å; V162-F209 HydrophobicContact CB-CE1 4.1Å; V162-F209 HydrophobicContact CB-CG 4.2Å; V162-F209 HydrophobicContact CG1-CD1 3.8Å; V162-F209 HydrophobicContact CG1-CE1 4.11Å; V162-F209 HydrophobicContact CG2-CD1 3.98Å; V162-F209 HydrophobicContact CG2-CE1 3.82Å; V162-F209 HydrophobicContact CG2-CG 4.48Å; V162-F209 HydrophobicContact CG2-CZ 4.18Å; L164-F209 HydrophobicContact CD2-CB 4.25Å; L164-F209 HydrophobicContact CD2-CD1 4.09Å; I194-F209 HydrophobicContact CG2-CE1 4.43Å; L195-F209 HydrophobicContact CD2-CD1 4.48Å; L195-F209 HydrophobicContact CD2-CE1 3.98Å; L195-F209 HydrophobicContact CD2-CZ 4.22Å; M198-F209 HydrophobicContact CB-CE1 4.42Å; M198-F209 HydrophobicContact CB-CZ 4.1Å; M198-F209 HydrophobicContact CG-CE1 3.97Å; M198-F209 HydrophobicContact CG-CZ 4.08Å; M202-F209 HydrophobicContact CG-CZ 4.29Å; M202-F209 HydrophobicContact SD-CE2 4.41Å; M202-F209 HydrophobicContact SD-CZ 4.08Å; M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 3.77Å; M207-F209 HydrophobicContact CE-CE2 4.34Å; M207-F209 HydrophobicContact CE-CZ 3.99Å; M207-F209 HydrophobicContact SD-CE2 4.37Å; M207-F209 HydrophobicContact SD-CZ 4.31Å; F209-F213 HydrophobicContact CB-CZ 4.18Å; F209-L294 HydrophobicContact CB-CD1 4.5Å; F209-L294 HydrophobicContact CD1-CD1 4.46Å; F209-L294 HydrophobicContact CD2-CD1 4.08Å; F209-L294 HydrophobicContact CD2-CD2 3.5Å; F209-L294 HydrophobicContact CD2-CG 4.47Å; F209-L294 HydrophobicContact CE2-CD1 4.44Å; F209-L294 HydrophobicContact CE2-CD2 3.45Å; F209-L294 VanDerWaalsContact CE2-CD2 3.45Å; F209-L294 HydrophobicContact CG-CD1 4.11Å; F209-L294 HydrophobicContact CG-CD2 4.35Å; F209-L294 HydrophobicContact CZ-CD2 4.24Å; F209-I333 WeakPolarHBondContact O-CA 3.29Å; F209-V334 HydrophobicContact CB-CG2 3.77Å; F209-V334 PolarHBondContact N-O 2.89Å; F209-V334 PolarHBondContact O-N 2.97Å
210A98.4Very high91.5Very high2 Ų225.2 Ų25.22%0.01713%0.125CC..EExtended strand (participates in β ladder)trans-119.714117700000108.4H49 V162 N163 L164 I208 R332 I333H49-A210 HydrophobicContact CB-CB 4.45Å; V162-A210 PolarHBondContact O-N 3.32Å; N163-A210 VanDerWaalsContact CA-O 3.28Å; N163-A210 WeakPolarHBondContact CA-O 3.47Å; L164-A210 PolarHBondContact N-O 3.33Å; I208-A210 HydrophobicContact CG2-CB 4.47Å; A210-R332 WeakPolarHBondContact CA-O 3.1Å; A210-I333 HydrophobicContact CB-CG1 4.06Å; A210-I333 HydrophobicContact CB-CG2 4.38Å
211G97.6Very high92.4Very high0 Ų026 Ų260%012%0.116CC..EExtended strand (participates in β ladder)trans168.9-176.5179.600000114.7S13 L164 F213 S331 R332S13-G211 VanDerWaalsContact OG-CA 3.24Å; S13-G211 WeakPolarHBondContact OG-CA 3.33Å; S13-G211 PolarHBondContact OG-N 3.1Å; S13-G211 PolarHBondContact OG-O 3.08Å; L164-G211 WeakPolarHBondContact O-CA 3.24Å; G211-F213 PolarHBondContact O-N 3.13Å; G211-S331 WeakPolarHBondContact O-CA 3.43Å; G211-R332 PolarHBondContact N-O 3.42Å; G211-R332 PolarHBondContact O-N 2.88Å; G211-R332 VanDerWaalsContact O-N 3.1Å
212Y96.8Very high93.1Very high12 Ų1222.8 Ų22.85%0.04710%0.103CC..EExtended strand (participates in β ladder)trans-9283.6170.7-159.9-124.9000108.4N15 L164 L166 N214 R330N15-Y212 HydrophobicContact CB-CD1 4.49Å; N15-Y212 HydrophobicContact CB-CD2 3.67Å; N15-Y212 HydrophobicContact CB-CE2 3.84Å; N15-Y212 HydrophobicContact CB-CG 4.04Å; N15-Y212 WeakPolarHBondContact ND2-CD1 3.47Å; N15-Y212 WeakPolarHBondContact ND2-CE1 3.37Å; L164-Y212 PolarHBondContact O-N 3.44Å; L164-Y212 VanDerWaalsContact O-N 3.07Å; L166-Y212 PolarHBondContact N-O 3.07Å; Y212-N214 HydrophobicContact CD1-CB 4.41Å; Y212-N214 VanDerWaalsContact CD1-CG 3.45Å; Y212-N214 WeakPolarHBondContact CD1-ND2 3.36Å; Y212-N214 HydrophobicContact CE1-CB 4.43Å; Y212-N214 WeakPolarHBondContact CE1-ND2 3.33Å; Y212-N214 WeakPolarHBondContact CE1-OD1 3.47Å; Y212-N214 VanDerWaalsContact CZ-OD1 3.25Å; Y212-N214 PolarHBondContact O-N 3Å; Y212-N214 PolarHBondContact OH-OD1 2.97Å; Y212-R330 CarbonylContact C-O 3.57Å; Y212-R330 HydrophobicContact CD2-CB 3.96Å; Y212-R330 HydrophobicContact CE2-CB 3.31Å; Y212-R330 HydrophobicContact CE2-CG 4.4Å; Y212-R330 WeakPolarHBondContact OH-CD 3.39Å
213F97.5Very high93.9Very high0 Ų022.6 Ų22.60%010%0.103CC..  trans-65.9-18.5177.6-76.2-99.5000112.2L164 L166 R187 L191 F209 G211 M215 M286 R330 R332 V334L164-F213 HydrophobicContact CD1-CD1 3.97Å; L164-F213 HydrophobicContact CD1-CD2 4Å; L164-F213 HydrophobicContact CD1-CE1 3.99Å; L164-F213 HydrophobicContact CD1-CE2 4Å; L164-F213 HydrophobicContact CD1-CG 4Å; L164-F213 HydrophobicContact CD1-CZ 4.02Å; L164-F213 HydrophobicContact CD2-CE1 4.03Å; L164-F213 HydrophobicContact CD2-CE2 4.36Å; L164-F213 HydrophobicContact CD2-CZ 3.79Å; L164-F213 HydrophobicContact CG-CE2 4.37Å; L164-F213 HydrophobicContact CG-CZ 4.27Å; L166-F213 WeakPolarHBondContact CB-O 3.19Å; L166-F213 HydrophobicContact CD1-CB 4.46Å; L166-F213 HydrophobicContact CD1-CD1 3.98Å; R187-F213 WeakPolarHBondContact CD-O 3.42Å; L191-F213 HydrophobicContact CD1-CD1 4.49Å; L191-F213 HydrophobicContact CD1-CE1 4.03Å; L191-F213 HydrophobicContact CD2-CD1 4.47Å; L191-F213 HydrophobicContact CD2-CE1 4.48Å; F209-F213 HydrophobicContact CB-CZ 4.18Å; G211-F213 PolarHBondContact O-N 3.13Å; F213-M215 HydrophobicContact CB-CE 4.3Å; F213-M215 HydrophobicContact CB-CG 4.03Å; F213-M215 HydrophobicContact CB-SD 4.3Å; F213-M215 HydrophobicContact CD1-CE 3.8Å; F213-M215 HydrophobicContact CG-CE 4.45Å; F213-M215 PolarHBondContact O-N 3.07Å; F213-M286 HydrophobicContact CD1-SD 4.29Å; F213-M286 HydrophobicContact CE1-CE 4.3Å; F213-M286 HydrophobicContact CE1-SD 4.27Å; F213-R330 PolarHBondContact N-O 2.8Å; F213-R332 HydrophobicContact CD2-CB 3.66Å; F213-R332 HydrophobicContact CD2-CG 4.32Å; F213-R332 HydrophobicContact CE2-CB 3.94Å; F213-R332 HydrophobicContact CG-CB 4.4Å; F213-V334 HydrophobicContact CZ-CG2 3.83Å
214N95.3Very high94.9Very high13 Ų1321.7 Ų21.77%0.0710%0.097CC..  trans57.825.6175.7-106.5-37.2000113.4L166 N167 G168 R187 Y212 R330L166-N214 PolarHBondContact O-ND2 3.27Å; N167-N214 WeakPolarHBondContact O-CB 3.31Å; G168-N214 PolarHBondContact N-ND2 2.92Å; R187-N214 WeakPolarHBondContact CD-O 3.31Å; R187-N214 PolarHBondContact NE-O 3.14Å; R187-N214 PolarHBondContact NH1-O 3.11Å; Y212-N214 HydrophobicContact CD1-CB 4.41Å; Y212-N214 VanDerWaalsContact CD1-CG 3.45Å; Y212-N214 WeakPolarHBondContact CD1-ND2 3.36Å; Y212-N214 HydrophobicContact CE1-CB 4.43Å; Y212-N214 WeakPolarHBondContact CE1-ND2 3.33Å; Y212-N214 WeakPolarHBondContact CE1-OD1 3.47Å; Y212-N214 VanDerWaalsContact CZ-OD1 3.25Å; Y212-N214 PolarHBondContact O-N 3Å; Y212-N214 PolarHBondContact OH-OD1 2.97Å; N214-R330 PolarHBondContact N-O 3.34Å; N214-R330 VanDerWaalsContact N-O 3.13Å
215M94.8Very high95.7Very high1 Ų117.6 Ų17.61%0.0058%0.079CC..PPolyproline II helixtrans-72.1134.5-176.8-73.1178177.800111.5L191 F213 E285 M286 Y289L191-M215 HydrophobicContact CD2-CE 3.78Å; F213-M215 HydrophobicContact CB-CE 4.3Å; F213-M215 HydrophobicContact CB-CG 4.03Å; F213-M215 HydrophobicContact CB-SD 4.3Å; F213-M215 HydrophobicContact CD1-CE 3.8Å; F213-M215 HydrophobicContact CG-CE 4.45Å; F213-M215 PolarHBondContact O-N 3.07Å; M215-E285 WeakPolarHBondContact CA-OE2 3.49Å; M215-E285 HydrophobicContact CB-CB 4.12Å; M215-E285 WeakPolarHBondContact CB-OE2 3.36Å; M215-E285 HydrophobicContact CG-CB 3.91Å; M215-E285 WeakPolarHBondContact CG-OE2 3.36Å; M215-E285 HydrophobicContact SD-CB 3.97Å; M215-M286 HydrophobicContact CE-CB 4.26Å; M215-M286 HydrophobicContact CE-SD 3.53Å; M215-M286 VanDerWaalsContact CE-SD 3.53Å; M215-M286 WeakPolarHBondContact SD-CA 3.41Å; M215-M286 HydrophobicContact SD-CB 3.52Å; M215-M286 VanDerWaalsContact SD-CB 3.52Å; M215-M286 HydrophobicContact SD-CG 4.16Å; M215-M286 PolarHBondContact SD-N 3.49Å; M215-M286 VanDerWaalsContact SD-N 3.36Å; M215-M286 HydrophobicContact SD-SD 3.61Å; M215-M286 VanDerWaalsContact SD-SD 3.61Å; M215-Y289 HydrophobicContact CE-CD2 4.16Å
216S92.6Very high96Very high5 Ų518.1 Ų18.14%0.0358%0.082CC..PPolyproline II helixtrans-97.7158.7179.1-64.50000111.3E169 W179 E285E169-S216 VanDerWaalsContact CD-OG 3.3Å; E169-S216 WeakPolarHBondContact CG-OG 3.33Å; E169-S216 WeakPolarHBondContact OE1-CB 3.39Å; E169-S216 PolarHBondContact OE1-OG 3.35Å; W179-S216 WeakPolarHBondContact CH2-O 3.35Å; S216-E285 PolarHBondContact N-OE2 3.44Å; S216-E285 VanDerWaalsContact N-OE2 3.15Å
217I95Very high96Very high1 Ų119.5 Ų19.51%0.0059%0.088CC..PPolyproline II helixtrans-77.9156.4164.567.1177.4000110W179 V219 L222 F271 I279 D283 S326 W329W179-I217 VanDerWaalsContact CH2-O 3.32Å; W179-I217 WeakPolarHBondContact CH2-O 3.5Å; W179-I217 WeakPolarHBondContact CZ3-O 3.26Å; I217-V219 HydrophobicContact CD1-CG2 4.49Å; I217-V219 HydrophobicContact CG1-CG2 3.81Å; I217-V219 PolarHBondContact O-N 2.75Å; I217-L222 HydrophobicContact CD1-CD2 3.86Å; I217-F271 HydrophobicContact CD1-CE1 3.98Å; I217-I279 HydrophobicContact CD1-CD1 4.44Å; I217-I279 HydrophobicContact CG2-CD1 4.29Å; I217-D283 HydrophobicContact CG2-CB 4.1Å; I217-S326 WeakPolarHBondContact CD1-OG 3.12Å; I217-W329 HydrophobicContact CG2-CE3 4.46Å; I217-W329 HydrophobicContact CG2-CZ3 4.22Å
218D96.3Very high95.9Very high15 Ų1527.9 Ų27.98%0.0813%0.125CC..  trans-67.976.4170.6-173.2-11.1000110.5W179 S220 R221 L222 Y282W179-D218 WeakPolarHBondContact CB-OD1 3.39Å; W179-D218 VanDerWaalsContact CD1-CG 3.45Å; W179-D218 VanDerWaalsContact CD1-OD2 3.28Å; W179-D218 HydrophobicContact CD2-CB 3.68Å; W179-D218 VanDerWaalsContact CD2-CG 3.48Å; W179-D218 VanDerWaalsContact CE2-CB 3.49Å; W179-D218 HydrophobicContact CE3-CB 4.14Å; W179-D218 HydrophobicContact CG-CB 4.1Å; W179-D218 VanDerWaalsContact CG-OD1 3.31Å; W179-D218 HydrophobicContact CH2-CB 4.26Å; W179-D218 HydrophobicContact CZ2-CB 3.8Å; W179-D218 HydrophobicContact CZ3-CB 4.41Å; D218-S220 PolarHBondContact O-N 3.17Å; D218-R221 HydrophobicContact CB-CB 4.16Å; D218-R221 PolarHBondContact O-N 3.34Å; D218-R221 VanDerWaalsContact OD1-CB 3.29Å; D218-R221 WeakPolarHBondContact OD1-CB 3.5Å; D218-R221 PolarHBondContact OD1-N 3.42Å; D218-R221 WeakPolarHBondContact OD2-CB 3.42Å; D218-L222 PolarHBondContact O-N 3.23Å; D218-Y282 WeakPolarHBondContact CB-O 3.35Å; D218-Y282 PolarHBondContact N-O 3.32Å
219V95Very high95.7Very high1 Ų133.6 Ų33.61%0.00616%0.155CC..Hα-helixtrans-58.7-38.4179.9176.10000110.4C176 I217 R221 L222 I223 F261C176-V219 HydrophobicContact CB-CG1 4.49Å; C176-V219 VanDerWaalsContact SG-CG1 3.58Å; I217-V219 HydrophobicContact CD1-CG2 4.49Å; I217-V219 HydrophobicContact CG1-CG2 3.81Å; I217-V219 PolarHBondContact O-N 2.75Å; V219-R221 VanDerWaalsContact C-N 3.35Å; V219-R221 PolarHBondContact O-N 3.3Å; V219-L222 PolarHBondContact O-N 3.23Å; V219-I223 HydrophobicContact CG1-CD1 3.64Å; V219-I223 HydrophobicContact CG1-CG1 4.17Å; V219-I223 WeakPolarHBondContact O-CB 3.45Å; V219-I223 VanDerWaalsContact O-CG1 3.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.33Å; V219-F261 HydrophobicContact CG1-CE2 3.83Å; V219-F261 HydrophobicContact CG1-CZ 4.44Å; V219-F261 HydrophobicContact CG2-CE2 4.29Å; V219-F261 HydrophobicContact CG2-CZ 4.47Å
220S95Very high95.4Very high3 Ų336.9 Ų36.92%0.02117%0.17CC..Hα-helixtrans-57-48.2176.6-169.70000111.7S175 C176 D218 K224S175-S220 PolarHBondContact O-N 2.91Å; S175-S220 VanDerWaalsContact O-N 3.15Å; C176-S220 WeakPolarHBondContact O-CA 3.36Å; C176-S220 VanDerWaalsContact O-CB 3.28Å; C176-S220 WeakPolarHBondContact O-CB 3.19Å; C176-S220 PolarHBondContact O-OG 2.98Å; D218-S220 PolarHBondContact O-N 3.17Å; S220-K224 WeakPolarHBondContact O-CD 3.28Å; S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.1Å; S220-K224 PolarHBondContact O-N 2.94Å; S220-K224 VanDerWaalsContact O-N 3.15Å; S220-K224 PolarHBondContact OG-NZ 3.43Å
221R96.6Very high95.2Very high118 Ų11843.8 Ų43.845%0.44520%0.2SC..Hα-helixtrans-71.7-38.7178.1-170.1-173.9173.81770.7112.4D218 V219 I223 K224 D225 Y282D218-R221 HydrophobicContact CB-CB 4.16Å; D218-R221 PolarHBondContact O-N 3.34Å; D218-R221 VanDerWaalsContact OD1-CB 3.29Å; D218-R221 WeakPolarHBondContact OD1-CB 3.5Å; D218-R221 PolarHBondContact OD1-N 3.42Å; D218-R221 WeakPolarHBondContact OD2-CB 3.42Å; V219-R221 VanDerWaalsContact C-N 3.35Å; V219-R221 PolarHBondContact O-N 3.3Å; R221-I223 PolarHBondContact O-N 2.91Å; R221-K224 PolarHBondContact O-N 3.16Å; R221-D225 WeakPolarHBondContact O-CB 3.42Å; R221-D225 PolarHBondContact O-N 3.38Å; R221-Y282 HydrophobicContact CB-CD1 4.09Å; R221-Y282 HydrophobicContact CB-CE1 4.21Å; R221-Y282 HydrophobicContact CG-CD1 4.12Å; R221-Y282 HydrophobicContact CG-CE1 3.89Å
222L96.3Very high95Very high0 Ų044.5 Ų44.50%021%0.206CC..Hα-helixtrans-55-52.2173.9170.962.9000110.6I217 D218 V219 K224 D225 Q226 F261 F263 L270 F271 I279 Y282I217-L222 HydrophobicContact CD1-CD2 3.86Å; D218-L222 PolarHBondContact O-N 3.23Å; V219-L222 PolarHBondContact O-N 3.23Å; L222-K224 PolarHBondContact O-N 3.24Å; L222-D225 PolarHBondContact O-N 3.44Å; L222-Q226 HydrophobicContact CD1-CG 3.87Å; L222-Q226 HydrophobicContact CG-CG 4.4Å; L222-Q226 VanDerWaalsContact O-CG 3.25Å; L222-Q226 WeakPolarHBondContact O-CG 3.47Å; L222-Q226 PolarHBondContact O-N 2.92Å; L222-F261 HydrophobicContact CD2-CZ 4.28Å; L222-F263 HydrophobicContact CD2-CE2 4.5Å; L222-F263 HydrophobicContact CD2-CZ 4.22Å; L222-F263 HydrophobicContact CG-CZ 4.44Å; L222-L270 HydrophobicContact CD1-CD2 4.38Å; L222-F271 HydrophobicContact CD2-CZ 4.23Å; L222-I279 HydrophobicContact CD1-CG2 4.36Å; L222-Y282 HydrophobicContact CB-CD1 4.18Å; L222-Y282 HydrophobicContact CB-CD2 4.08Å; L222-Y282 HydrophobicContact CB-CE1 4.19Å; L222-Y282 HydrophobicContact CB-CE2 4.1Å; L222-Y282 HydrophobicContact CB-CG 4.14Å; L222-Y282 HydrophobicContact CD1-CD2 3.95Å; L222-Y282 HydrophobicContact CD1-CE2 3.43Å; L222-Y282 VanDerWaalsContact CD1-CE2 3.43Å; L222-Y282 HydrophobicContact CG-CE2 4.33Å
223I94.9Very high94.8Very high9 Ų948.4 Ų48.45%0.04623%0.231CC..Hα-helixtrans-58.3-47.5179.3-72.3169000111C176 V219 R221 D225 Q226 L227 F254 I256C176-I223 HydrophobicContact CB-CD1 3.65Å; C176-I223 WeakPolarHBondContact SG-CD1 3.26Å; V219-I223 HydrophobicContact CG1-CD1 3.64Å; V219-I223 HydrophobicContact CG1-CG1 4.17Å; V219-I223 WeakPolarHBondContact O-CB 3.45Å; V219-I223 VanDerWaalsContact O-CG1 3.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.42Å; V219-I223 PolarHBondContact O-N 3.33Å; R221-I223 PolarHBondContact O-N 2.91Å; I223-D225 VanDerWaalsContact C-N 3.34Å; I223-D225 PolarHBondContact O-N 3.47Å; I223-Q226 PolarHBondContact O-N 3.43Å; I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 HydrophobicContact CG2-CG 4.23Å; I223-L227 WeakPolarHBondContact O-CB 3.47Å; I223-L227 VanDerWaalsContact O-CG 3.25Å; I223-L227 WeakPolarHBondContact O-CG 3.4Å; I223-L227 PolarHBondContact O-N 3.39Å; I223-F254 HydrophobicContact CG1-CE2 4.46Å; I223-F254 HydrophobicContact CG1-CZ 4.47Å; I223-F254 HydrophobicContact CG2-CE2 4.21Å; I223-F254 HydrophobicContact CG2-CZ 3.79Å; I223-I256 HydrophobicContact CD1-CD1 3.48Å; I223-I256 VanDerWaalsContact CD1-CD1 3.48Å; I223-I256 HydrophobicContact CG1-CD1 3.85Å
224K95.2Very high94.6Very high124 Ų12452.2 Ų52.254%0.53925%0.251SS..Hα-helixtrans-58.6-45.7178.9-74.5165.2-176.6154.20112S220 R221 L222 F228S220-K224 WeakPolarHBondContact O-CD 3.28Å; S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.1Å; S220-K224 PolarHBondContact O-N 2.94Å; S220-K224 VanDerWaalsContact O-N 3.15Å; S220-K224 PolarHBondContact OG-NZ 3.43Å; R221-K224 PolarHBondContact O-N 3.16Å; L222-K224 PolarHBondContact O-N 3.24Å; K224-F228 WeakPolarHBondContact O-CB 3.21Å; K224-F228 PolarHBondContact O-N 3.15Å
225D96.2Very high94.3Very high50 Ų5056.9 Ų56.927%0.26727%0.272SS..Hα-helixtrans-64.2-42.1177.9-76.30.5000111.2R221 L222 I223 F228 L229 K281 Y282R221-D225 WeakPolarHBondContact O-CB 3.42Å; R221-D225 PolarHBondContact O-N 3.38Å; L222-D225 PolarHBondContact O-N 3.44Å; I223-D225 VanDerWaalsContact C-N 3.34Å; I223-D225 PolarHBondContact O-N 3.47Å; D225-F228 PolarHBondContact O-N 3.37Å; D225-L229 VanDerWaalsContact O-CB 3.23Å; D225-L229 WeakPolarHBondContact O-CB 3.49Å; D225-L229 PolarHBondContact O-N 3.17Å; D225-K281 IonicContact OD2-NZ 3.87Å; D225-K281 PolarHBondContact OD2-NZ 3.13Å; D225-Y282 VanDerWaalsContact CB-OH 3.26Å; D225-Y282 WeakPolarHBondContact CB-OH 2.95Å; D225-Y282 WeakPolarHBondContact OD2-CE1 3.49Å; D225-Y282 PolarHBondContact OD2-OH 3.22Å
226Q94.6Very high93.4Very high24 Ų2464.5 Ų64.511%0.11231%0.308CS..Hα-helixtrans-65.8-43.6179-68.7-59.1-36.500112.1L222 I223 H230 F254 F263L222-Q226 HydrophobicContact CD1-CG 3.87Å; L222-Q226 HydrophobicContact CG-CG 4.4Å; L222-Q226 VanDerWaalsContact O-CG 3.25Å; L222-Q226 WeakPolarHBondContact O-CG 3.47Å; L222-Q226 PolarHBondContact O-N 2.92Å; I223-Q226 PolarHBondContact O-N 3.43Å; Q226-H230 PolarHBondContact O-N 3.07Å; Q226-H230 PolarHBondContact O-ND1 2.66Å; Q226-H230 PolarHBondContact OE1-CE1 3.42Å; Q226-F254 HydrophobicContact CB-CE1 4.31Å; Q226-F263 HydrophobicContact CB-CE1 4.45Å; Q226-F263 HydrophobicContact CG-CE1 3.99Å
227L95.2Very high92.8Very high29 Ų2966.3 Ų66.315%0.15232%0.317CS..Hα-helixtrans-60.6-45.8174.8-70.6171.1000111.3I223 K231 A232 I234 A245 F254I223-L227 HydrophobicContact CG2-CD1 3.75Å; I223-L227 HydrophobicContact CG2-CG 4.23Å; I223-L227 WeakPolarHBondContact O-CB 3.47Å; I223-L227 VanDerWaalsContact O-CG 3.25Å; I223-L227 WeakPolarHBondContact O-CG 3.4Å; I223-L227 PolarHBondContact O-N 3.39Å; L227-K231 CarbonylContact O-C 3.6Å; L227-K231 WeakPolarHBondContact O-CA 3.32Å; L227-K231 PolarHBondContact O-N 3.11Å; L227-A232 HydrophobicContact CD2-CB 3.74Å; L227-A232 PolarHBondContact O-N 2.7Å; L227-I234 HydrophobicContact CD1-CD1 3.77Å; L227-I234 HydrophobicContact CD1-CG1 3.9Å; L227-I234 HydrophobicContact CD2-CG1 4.07Å; L227-A245 HydrophobicContact CD2-CB 3.68Å; L227-F254 HydrophobicContact CD2-CE1 4.09Å; L227-F254 HydrophobicContact CD2-CZ 3.79Å; L227-F254 HydrophobicContact CG-CE1 4.34Å; L227-F254 HydrophobicContact CG-CZ 4.01Å
228F95.2Very high92.1Very high176 Ų17674.6 Ų74.677%0.77236%0.361SS*.Hα-helixtrans-63.5-49.3179177.8-98.8000111.9K224 D225 H230 K231K224-F228 WeakPolarHBondContact O-CB 3.21Å; K224-F228 PolarHBondContact O-N 3.15Å; D225-F228 PolarHBondContact O-N 3.37Å; F228-H230 VanDerWaalsContact C-N 3.26Å; F228-H230 PolarHBondContact O-N 3.4Å; F228-K231 PolarHBondContact O-N 2.89Å
229L93.4Very high91.4Very high122 Ų12283.8 Ų83.864%0.63940%0.395SS*.Hα-helixtrans-58.7-38.5-177.2-17962.3000112.3D225D225-L229 VanDerWaalsContact O-CB 3.23Å; D225-L229 WeakPolarHBondContact O-CB 3.49Å; D225-L229 PolarHBondContact O-N 3.17Å
230H92.1Very high90.7Very high69 Ų6991.5 Ų91.532%0.31943%0.428SS..Hα-helixtrans-102.54.2-175.3-59.689.2000113.9Q226 F228 A232 M253Q226-H230 PolarHBondContact O-N 3.07Å; Q226-H230 PolarHBondContact O-ND1 2.66Å; Q226-H230 PolarHBondContact OE1-CE1 3.42Å; F228-H230 VanDerWaalsContact C-N 3.26Å; F228-H230 PolarHBondContact O-N 3.4Å; H230-A232 HydrophobicContact CB-CB 4.46Å; H230-A232 PolarHBondContact O-N 2.77Å; H230-M253 HydrophobicContact CB-CE 3.43Å; H230-M253 VanDerWaalsContact CB-CE 3.43Å; H230-M253 HydrophobicContact CB-SD 3.36Å; H230-M253 WeakPolarHBondContact CB-SD 3.36Å; H230-M253 WeakPolarHBondContact ND1-CE 3.33Å
231K92.8Very high90.4Very high147 Ų14794.3 Ų94.364%0.63944%0.443SS*.THydrogen-bonded Turntrans50.139.7-173.6-58.6176179.91770111.8L227 F228 L248L227-K231 CarbonylContact O-C 3.6Å; L227-K231 WeakPolarHBondContact O-CA 3.32Å; L227-K231 PolarHBondContact O-N 3.11Å; F228-K231 PolarHBondContact O-N 2.89Å; K231-L248 HydrophobicContact CB-CD1 3.84Å; K231-L248 HydrophobicContact CB-CD2 4.26Å; K231-L248 HydrophobicContact CB-CG 3.94Å; K231-L248 HydrophobicContact CD-CD1 3.78Å; K231-L248 HydrophobicContact CG-CD1 4.46Å
232A94.1Very high90.2Very high15 Ų1590.3 Ų90.312%0.12443%0.432CS..  trans-83.4156.4-176.900000112.3L227 H230 F246 M253L227-A232 HydrophobicContact CD2-CB 3.74Å; L227-A232 PolarHBondContact O-N 2.7Å; H230-A232 HydrophobicContact CB-CB 4.46Å; H230-A232 PolarHBondContact O-N 2.77Å; A232-F246 CarbonylContact C-O 3.58Å; A232-F246 WeakPolarHBondContact CA-O 3.26Å; A232-F246 WeakPolarHBondContact CB-O 3.46Å; A232-M253 HydrophobicContact CB-CE 4.35Å; A232-M253 HydrophobicContact CB-SD 3.28Å; A232-M253 WeakPolarHBondContact CB-SD 3.47Å
233V93Very high90.1Very high94 Ų9491.9 Ų91.957%0.5744%0.44SS*.EExtended strand (participates in β ladder)trans-118.6138.6177.2-65.70000110.1A245 F246V233-A245 WeakPolarHBondContact O-CA 3.38Å; V233-F246 PolarHBondContact N-O 2.61Å; V233-F246 PolarHBondContact O-N 2.82Å
234I92.6Very high90.1Very high81 Ų8192.6 Ų92.642%0.41544%0.444SS..EExtended strand (participates in β ladder)trans-77.9129.5170-65.1173.5000108L227 I243 N244L227-I234 HydrophobicContact CD1-CD1 3.77Å; L227-I234 HydrophobicContact CD1-CG1 3.9Å; L227-I234 HydrophobicContact CD2-CG1 4.07Å; I234-I243 HydrophobicContact CD1-CG2 4.09Å; I234-I243 HydrophobicContact CG1-CG2 4.21Å; I234-I243 HydrophobicContact CG2-CG2 4.08Å; I234-N244 CarbonylContact C-O 3.57Å; I234-N244 WeakPolarHBondContact CA-O 2.99Å
235Q90Very high90.2Very high111 Ų11186.7 Ų86.752%0.51942%0.418SS..EExtended strand (participates in β ladder)trans-83.8109.3164.6-174.2178.331.400108.5N244 F246Q235-N244 HydrophobicContact CB-CB 4.42Å; Q235-N244 PolarHBondContact N-O 3.38Å; Q235-F246 HydrophobicContact CB-CD2 4.14Å; Q235-F246 HydrophobicContact CB-CE2 3.86Å; Q235-F246 VanDerWaalsContact OE1-CE2 3.28Å
236E74.7Confident90.1Very high161 Ų16186.3 Ų86.375%0.75241%0.414SS*.  trans-66.4134.2174.5-64.3-167.6161.900110.3
237N81.5Confident90.1Very high42 Ų4285.9 Ų85.923%0.22541%0.412CS..  trans-105.4152.9166.576.6-4.5000110R239 K240 D241 V242N237-R239 PolarHBondContact O-N 3.47Å; N237-R239 VanDerWaalsContact O-N 3.12Å; N237-K240 PolarHBondContact O-N 3.23Å; N237-K240 WeakPolarHBondContact OD1-CA 3.37Å; N237-K240 PolarHBondContact OD1-N 3.35Å; N237-D241 PolarHBondContact ND2-OD1 2.82Å; N237-D241 PolarHBondContact OD1-N 2.74Å; N237-V242 WeakPolarHBondContact ND2-CB 3.09Å; N237-V242 PolarHBondContact ND2-N 3.41Å; N237-V242 VanDerWaalsContact ND2-N 3.15Å
238N79.1Confident89.9Confident176 Ų17690.9 Ų90.994%0.94144%0.438SS*.THydrogen-bonded Turntrans-61.1-27.2-173-70-16.5000113.6
239R82.6Confident89.8Confident207 Ų20785.7 Ų85.778%0.78143%0.428SS*.THydrogen-bonded Turntrans-93-13.2-176.7-70.9-178.5-179.7179.6-0.2113.8N237 D241N237-R239 PolarHBondContact O-N 3.47Å; N237-R239 VanDerWaalsContact O-N 3.12Å; R239-D241 HydrophobicContact CB-CB 4.22Å; R239-D241 VanDerWaalsContact CB-CG 3.48Å; R239-D241 WeakPolarHBondContact CB-OD1 3.02Å; R239-D241 WeakPolarHBondContact CD-OD2 3.5Å; R239-D241 PolarHBondContact O-N 2.94Å
240K80.1Confident89.7Confident163 Ų16386.2 Ų86.271%0.70943%0.432SS*.SBendtrans53.428-171.2-56.9-173.4177.6-173.30113.7N237N237-K240 PolarHBondContact O-N 3.23Å; N237-K240 WeakPolarHBondContact OD1-CA 3.37Å; N237-K240 PolarHBondContact OD1-N 3.35Å
241D88.3Confident89.7Confident62 Ų6291 Ų9133%0.33245%0.447SS..  trans-97.3-3.8179.460.7-9.9000112.9L173 N237 R239 N257L173-D241 WeakPolarHBondContact CD1-O 3.36Å; N237-D241 PolarHBondContact ND2-OD1 2.82Å; N237-D241 PolarHBondContact OD1-N 2.74Å; R239-D241 HydrophobicContact CB-CB 4.22Å; R239-D241 VanDerWaalsContact CB-CG 3.48Å; R239-D241 WeakPolarHBondContact CB-OD1 3.02Å; R239-D241 WeakPolarHBondContact CD-OD2 3.5Å; R239-D241 PolarHBondContact O-N 2.94Å; D241-N257 WeakPolarHBondContact O-CB 3.39Å
242V92.8Very high89.8Confident35 Ų3588.1 Ų88.121%0.21243%0.434CS..  trans-144.3130.7175.6-171.10000109.6N237 T255 I256 N257N237-V242 WeakPolarHBondContact ND2-CB 3.09Å; N237-V242 PolarHBondContact ND2-N 3.41Å; N237-V242 VanDerWaalsContact ND2-N 3.15Å; V242-T255 HydrophobicContact CG1-CG2 3.82Å; V242-I256 CarbonylContact C-O 3.53Å; V242-I256 WeakPolarHBondContact CA-O 3.05Å; V242-N257 HydrophobicContact CB-CB 4.45Å; V242-N257 HydrophobicContact CG1-CB 4.41Å; V242-N257 HydrophobicContact CG2-CB 4.06Å
243I93.4Very high89.9Confident33 Ų3388.2 Ų88.217%0.16943%0.433CS..EExtended strand (participates in β ladder)trans-102.2108.5172-53.9174.3000107.5L173 C176 I234 F254 T255 I256L173-I243 HydrophobicContact CD2-CD1 3.98Å; L173-I243 HydrophobicContact CD2-CG1 3.95Å; C176-I243 HydrophobicContact CB-CD1 3.59Å; I234-I243 HydrophobicContact CD1-CG2 4.09Å; I234-I243 HydrophobicContact CG1-CG2 4.21Å; I234-I243 HydrophobicContact CG2-CG2 4.08Å; I243-F254 HydrophobicContact CG2-CE2 3.95Å; I243-T255 WeakPolarHBondContact O-CA 3.42Å; I243-I256 HydrophobicContact CB-CB 4.37Å; I243-I256 PolarHBondContact N-O 2.94Å; I243-I256 PolarHBondContact O-N 2.7Å
244N95.6Very high90Very high24 Ų2483.8 Ų83.813%0.12841%0.406CS..EExtended strand (participates in β ladder)trans-106.8127169.7-68.5-58.6000109.2I234 Q235 F246 K252 T255I234-N244 CarbonylContact C-O 3.57Å; I234-N244 WeakPolarHBondContact CA-O 2.99Å; Q235-N244 HydrophobicContact CB-CB 4.42Å; Q235-N244 PolarHBondContact N-O 3.38Å; N244-F246 HydrophobicContact CB-CE2 3.73Å; N244-F246 HydrophobicContact CB-CZ 4.33Å; N244-K252 WeakPolarHBondContact OD1-CE 3.49Å; N244-K252 PolarHBondContact OD1-NZ 2.89Å; N244-T255 WeakPolarHBondContact OD1-CG2 3.27Å; N244-T255 PolarHBondContact OD1-OG1 2.81Å
245A96.2Very high90.2Very high0 Ų080 Ų800%039%0.387CS..EExtended strand (participates in β ladder)trans-111.8140.7173.100000111.4L227 V233 M253 F254L227-A245 HydrophobicContact CD2-CB 3.68Å; V233-A245 WeakPolarHBondContact O-CA 3.38Å; A245-M253 HydrophobicContact CB-CB 4.38Å; A245-M253 PolarHBondContact O-N 2.72Å; A245-F254 HydrophobicContact CB-CD1 3.85Å; A245-F254 HydrophobicContact CB-CD2 3.9Å; A245-F254 HydrophobicContact CB-CE1 3.41Å; A245-F254 VanDerWaalsContact CB-CE1 3.41Å; A245-F254 HydrophobicContact CB-CE2 3.47Å; A245-F254 VanDerWaalsContact CB-CE2 3.47Å; A245-F254 HydrophobicContact CB-CG 4.07Å; A245-F254 HydrophobicContact CB-CZ 3.19Å; A245-F254 PolarHBondContact N-O 2.88Å
246F96Very high90.5Very high42 Ų4274.8 Ų74.818%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-127.9138.9178.6-62.4-95.2000110.4A232 V233 Q235 N244 R251 K252A232-F246 CarbonylContact C-O 3.58Å; A232-F246 WeakPolarHBondContact CA-O 3.26Å; A232-F246 WeakPolarHBondContact CB-O 3.46Å; V233-F246 PolarHBondContact N-O 2.61Å; V233-F246 PolarHBondContact O-N 2.82Å; Q235-F246 HydrophobicContact CB-CD2 4.14Å; Q235-F246 HydrophobicContact CB-CE2 3.86Å; Q235-F246 VanDerWaalsContact OE1-CE2 3.28Å; N244-F246 HydrophobicContact CB-CE2 3.73Å; N244-F246 HydrophobicContact CB-CZ 4.33Å; F246-R251 VanDerWaalsContact CA-O 3.27Å; F246-R251 WeakPolarHBondContact CA-O 3.16Å; F246-K252 HydrophobicContact CD1-CB 4.06Å; F246-K252 HydrophobicContact CD1-CG 4.2Å; F246-K252 HydrophobicContact CE1-CB 3.79Å; F246-K252 HydrophobicContact CE1-CD 4.11Å; F246-K252 HydrophobicContact CE1-CG 3.68Å; F246-K252 HydrophobicContact CZ-CD 4.17Å; F246-K252 HydrophobicContact CZ-CG 3.95Å
247D93.4Very high91.4Very high15 Ų1568.4 Ų68.48%0.0833%0.333CS..  trans-75.6179.3173.575.64000112.1A249 N250 R251 M253D247-A249 PolarHBondContact O-N 3.17Å; D247-A249 VanDerWaalsContact O-N 3.14Å; D247-A249 VanDerWaalsContact OD1-C 3.3Å; D247-A249 VanDerWaalsContact OD1-CA 3.3Å; D247-A249 WeakPolarHBondContact OD1-CA 3.47Å; D247-A249 WeakPolarHBondContact OD1-CB 3.36Å; D247-A249 PolarHBondContact OD1-N 3.21Å; D247-N250 PolarHBondContact O-N 2.81Å; D247-N250 PolarHBondContact OD1-N 2.89Å; D247-N250 VanDerWaalsContact OD1-N 3.16Å; D247-R251 PolarHBondContact N-O 2.83Å; D247-R251 WeakPolarHBondContact OD1-CB 3.2Å; D247-R251 PolarHBondContact OD1-N 3.48Å; D247-R251 IonicContact OD1-NE 3.71Å; D247-R251 IonicContact OD2-CZ 3.15Å; D247-R251 IonicContact OD2-NE 3.28Å; D247-R251 PolarHBondContact OD2-NE 3.06Å; D247-R251 IonicContact OD2-NH2 2.65Å; D247-R251 PolarHBondContact OD2-NH2 3.41Å; D247-M253 HydrophobicContact CB-CG 4.02Å; D247-M253 HydrophobicContact CB-SD 3.88Å
248L91.4Very high91.8Very high133 Ų13370.1 Ų70.170%0.69634%0.342SS*.THydrogen-bonded Turntrans-62.4-18.1178.3-66.8177.9000114.4K231 N250K231-L248 HydrophobicContact CB-CD1 3.84Å; K231-L248 HydrophobicContact CB-CD2 4.26Å; K231-L248 HydrophobicContact CB-CG 3.94Å; K231-L248 HydrophobicContact CD-CD1 3.78Å; K231-L248 HydrophobicContact CG-CD1 4.46Å; L248-N250 VanDerWaalsContact C-N 3.32Å
249A92.6Very high92.4Very high68 Ų6867.6 Ų67.656%0.56233%0.329SS*.THydrogen-bonded Turntrans-94.311.517600000112.1D247 R251D247-A249 PolarHBondContact O-N 3.17Å; D247-A249 VanDerWaalsContact O-N 3.14Å; D247-A249 VanDerWaalsContact OD1-C 3.3Å; D247-A249 VanDerWaalsContact OD1-CA 3.3Å; D247-A249 WeakPolarHBondContact OD1-CA 3.47Å; D247-A249 WeakPolarHBondContact OD1-CB 3.36Å; D247-A249 PolarHBondContact OD1-N 3.21Å; A249-R251 HydrophobicContact CB-CG 4.19Å; A249-R251 PolarHBondContact O-N 3.46Å
250N91.3Very high93Very high133 Ų13360.3 Ų60.371%0.71130%0.304SS*.  trans57.324.4-173.5-67.2-36.5000113.7D247 L248D247-N250 PolarHBondContact O-N 2.81Å; D247-N250 PolarHBondContact OD1-N 2.89Å; D247-N250 VanDerWaalsContact OD1-N 3.16Å; L248-N250 VanDerWaalsContact C-N 3.32Å
251R93Very high93.8Very high169 Ų16952.5 Ų52.564%0.63827%0.27SS*.  trans-81.7134.9170.9-59-179.8-62.5170.93.9108.7F246 D247 A249 M253F246-R251 VanDerWaalsContact CA-O 3.27Å; F246-R251 WeakPolarHBondContact CA-O 3.16Å; D247-R251 PolarHBondContact N-O 2.83Å; D247-R251 WeakPolarHBondContact OD1-CB 3.2Å; D247-R251 PolarHBondContact OD1-N 3.48Å; D247-R251 IonicContact OD1-NE 3.71Å; D247-R251 IonicContact OD2-CZ 3.15Å; D247-R251 IonicContact OD2-NE 3.28Å; D247-R251 PolarHBondContact OD2-NE 3.06Å; D247-R251 IonicContact OD2-NH2 2.65Å; D247-R251 PolarHBondContact OD2-NH2 3.41Å; A249-R251 HydrophobicContact CB-CG 4.19Å; A249-R251 PolarHBondContact O-N 3.46Å; R251-M253 PolarHBondContact O-N 2.84Å
252K94.6Very high94.2Very high86 Ų8650.7 Ų50.737%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-70.9119.1179.5-154.7170.9-170-154.40109N244 F246 T255 Y264N244-K252 WeakPolarHBondContact OD1-CE 3.49Å; N244-K252 PolarHBondContact OD1-NZ 2.89Å; F246-K252 HydrophobicContact CD1-CB 4.06Å; F246-K252 HydrophobicContact CD1-CG 4.2Å; F246-K252 HydrophobicContact CE1-CB 3.79Å; F246-K252 HydrophobicContact CE1-CD 4.11Å; F246-K252 HydrophobicContact CE1-CG 3.68Å; F246-K252 HydrophobicContact CZ-CD 4.17Å; F246-K252 HydrophobicContact CZ-CG 3.95Å; K252-T255 WeakPolarHBondContact CE-OG1 3.39Å; K252-T255 PolarHBondContact NZ-OG1 2.65Å; K252-Y264 HydrophobicContact CB-CE2 4.18Å; K252-Y264 HydrophobicContact CD-CE2 3.96Å; K252-Y264 VanDerWaalsContact CD-OH 3.28Å; K252-Y264 WeakPolarHBondContact CD-OH 3.2Å; K252-Y264 VanDerWaalsContact CE-OH 3.31Å; K252-Y264 WeakPolarHBondContact CE-OH 3.41Å; K252-Y264 HydrophobicContact CG-CE2 3.74Å; K252-Y264 PolarHBondContact NZ-OH 3.19Å
253M95.2Very high94.3Very high18 Ų1849.3 Ų49.39%0.08925%0.251CS..EExtended strand (participates in β ladder)trans-90.4-46.4-176.9-79.3-171.856.400112.6H230 A232 A245 D247 R251 F263H230-M253 HydrophobicContact CB-CE 3.43Å; H230-M253 VanDerWaalsContact CB-CE 3.43Å; H230-M253 HydrophobicContact CB-SD 3.36Å; H230-M253 WeakPolarHBondContact CB-SD 3.36Å; H230-M253 WeakPolarHBondContact ND1-CE 3.33Å; A232-M253 HydrophobicContact CB-CE 4.35Å; A232-M253 HydrophobicContact CB-SD 3.28Å; A232-M253 WeakPolarHBondContact CB-SD 3.47Å; A245-M253 HydrophobicContact CB-CB 4.38Å; A245-M253 PolarHBondContact O-N 2.72Å; D247-M253 HydrophobicContact CB-CG 4.02Å; D247-M253 HydrophobicContact CB-SD 3.88Å; R251-M253 PolarHBondContact O-N 2.84Å; M253-F263 CarbonylContact O-C 3.59Å; M253-F263 WeakPolarHBondContact O-CA 3.19Å
254F96.7Very high94.3Very high0 Ų051.1 Ų51.10%026%0.256CS..EExtended strand (participates in β ladder)trans-154.5155.1174.956.5-99.9000112I223 Q226 L227 I243 A245 I256 N262 F263I223-F254 HydrophobicContact CG1-CE2 4.46Å; I223-F254 HydrophobicContact CG1-CZ 4.47Å; I223-F254 HydrophobicContact CG2-CE2 4.21Å; I223-F254 HydrophobicContact CG2-CZ 3.79Å; Q226-F254 HydrophobicContact CB-CE1 4.31Å; L227-F254 HydrophobicContact CD2-CE1 4.09Å; L227-F254 HydrophobicContact CD2-CZ 3.79Å; L227-F254 HydrophobicContact CG-CE1 4.34Å; L227-F254 HydrophobicContact CG-CZ 4.01Å; I243-F254 HydrophobicContact CG2-CE2 3.95Å; A245-F254 HydrophobicContact CB-CD1 3.85Å; A245-F254 HydrophobicContact CB-CD2 3.9Å; A245-F254 HydrophobicContact CB-CE1 3.41Å; A245-F254 VanDerWaalsContact CB-CE1 3.41Å; A245-F254 HydrophobicContact CB-CE2 3.47Å; A245-F254 VanDerWaalsContact CB-CE2 3.47Å; A245-F254 HydrophobicContact CB-CG 4.07Å; A245-F254 HydrophobicContact CB-CZ 3.19Å; A245-F254 PolarHBondContact N-O 2.88Å; F254-I256 HydrophobicContact CD2-CD1 3.88Å; F254-I256 HydrophobicContact CD2-CG1 4.07Å; F254-I256 HydrophobicContact CE2-CD1 4.24Å; F254-N262 CarbonylContact C-O 3.5Å; F254-N262 WeakPolarHBondContact CA-O 3.48Å; F254-N262 WeakPolarHBondContact CB-O 3.43Å; F254-F263 HydrophobicContact CB-CD1 3.73Å; F254-F263 HydrophobicContact CB-CD2 4.35Å; F254-F263 HydrophobicContact CB-CE1 3.85Å; F254-F263 HydrophobicContact CB-CE2 4.45Å; F254-F263 HydrophobicContact CB-CG 3.99Å; F254-F263 HydrophobicContact CB-CZ 4.23Å; F254-F263 AromaticContact CD1-CD1 3.98Å; F254-F263 HydrophobicContact CD1-CD1 3.98Å; F254-F263 AromaticContact CD1-CE1 3.52Å; F254-F263 HydrophobicContact CD1-CE1 3.52Å; F254-F263 HydrophobicContact CD1-CZ 4.22Å; F254-F263 HydrophobicContact CE1-CE1 4.3Å; F254-F263 HydrophobicContact CG-CD1 4.21Å; F254-F263 AromaticContact CG-CE1 3.86Å; F254-F263 HydrophobicContact CG-CE1 3.86Å; F254-F263 HydrophobicContact CG-CZ 4.23Å
255T96.4Very high94Very high3 Ų357.7 Ų57.72%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-125.9126.4169.4-67.40000108.8V242 I243 N244 K252 E260 N262 Y264V242-T255 HydrophobicContact CG1-CG2 3.82Å; I243-T255 WeakPolarHBondContact O-CA 3.42Å; N244-T255 WeakPolarHBondContact OD1-CG2 3.27Å; N244-T255 PolarHBondContact OD1-OG1 2.81Å; K252-T255 WeakPolarHBondContact CE-OG1 3.39Å; K252-T255 PolarHBondContact NZ-OG1 2.65Å; T255-E260 HydrophobicContact CG2-CG 4.34Å; T255-E260 VanDerWaalsContact CG2-OE2 3.22Å; T255-E260 WeakPolarHBondContact CG2-OE2 3.45Å; T255-N262 PolarHBondContact N-O 3.36Å; T255-N262 PolarHBondContact O-N 3.15Å; T255-Y264 WeakPolarHBondContact CB-OH 3.44Å; T255-Y264 PolarHBondContact OG1-OH 2.6Å
256I95.7Very high93.8Very high0 Ų061.2 Ų61.20%031%0.311CS..EExtended strand (participates in β ladder)trans-129.8125.2177.6-56.6171.4000109.9L172 I223 V242 I243 F254 E260 F261L172-I256 HydrophobicContact CD2-CG2 3.99Å; L172-I256 HydrophobicContact CG-CG2 3.84Å; I223-I256 HydrophobicContact CD1-CD1 3.48Å; I223-I256 VanDerWaalsContact CD1-CD1 3.48Å; I223-I256 HydrophobicContact CG1-CD1 3.85Å; V242-I256 CarbonylContact C-O 3.53Å; V242-I256 WeakPolarHBondContact CA-O 3.05Å; I243-I256 HydrophobicContact CB-CB 4.37Å; I243-I256 PolarHBondContact N-O 2.94Å; I243-I256 PolarHBondContact O-N 2.7Å; F254-I256 HydrophobicContact CD2-CD1 3.88Å; F254-I256 HydrophobicContact CD2-CG1 4.07Å; F254-I256 HydrophobicContact CE2-CD1 4.24Å; I256-E260 CarbonylContact C-O 3.57Å; I256-E260 VanDerWaalsContact CA-O 3.22Å; I256-E260 WeakPolarHBondContact CA-O 3.45Å; I256-F261 HydrophobicContact CD1-CD2 3.92Å; I256-F261 HydrophobicContact CD1-CE2 3.74Å; I256-F261 HydrophobicContact CG1-CD2 3.86Å; I256-F261 HydrophobicContact CG1-CE2 4.21Å; I256-F261 HydrophobicContact CG2-CD2 4.03Å
257N93.5Very high93.7Very high28 Ų2859.3 Ų59.315%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-146.7-177.4168.16466.6000108.6L172 D241 V242 N259 E260L172-N257 VanDerWaalsContact CD2-O 3.24Å; L172-N257 WeakPolarHBondContact CD2-O 3.31Å; D241-N257 WeakPolarHBondContact O-CB 3.39Å; V242-N257 HydrophobicContact CB-CB 4.45Å; V242-N257 HydrophobicContact CG1-CB 4.41Å; V242-N257 HydrophobicContact CG2-CB 4.06Å; N257-N259 PolarHBondContact O-N 3.48Å; N257-N259 WeakPolarHBondContact OD1-CA 3.3Å; N257-N259 PolarHBondContact OD1-N 2.98Å; N257-E260 PolarHBondContact N-O 3.04Å; N257-E260 WeakPolarHBondContact ND2-CB 3.12Å; N257-E260 PolarHBondContact ND2-OE2 2.64Å; N257-E260 PolarHBondContact O-N 2.73Å; N257-E260 PolarHBondContact OD1-N 2.84Å
258D90.3Very high93.6Very high77 Ų7760.4 Ų60.441%0.41231%0.308SS..THydrogen-bonded Turntrans-65.4-9.8-177.3-71.2-36.3000114.9S171 L172 L173S171-D258 WeakPolarHBondContact CB-OD1 3.02Å; S171-D258 PolarHBondContact OG-OD1 2.91Å; L172-D258 PolarHBondContact N-OD1 3.15Å; L173-D258 PolarHBondContact N-OD1 2.84Å
259N91.8Very high93.6Very high124 Ų12460.8 Ų60.866%0.66330%0.3SS*.THydrogen-bonded Turntrans-127.16.5179-53.3-70.1000113.6N257 T324N257-N259 PolarHBondContact O-N 3.48Å; N257-N259 WeakPolarHBondContact OD1-CA 3.3Å; N257-N259 PolarHBondContact OD1-N 2.98Å; N259-T324 CarbonylContact C-O 3.54Å; N259-T324 WeakPolarHBondContact O-CG2 3.19Å
260E95.2Very high93.6Very high53 Ų5357.9 Ų57.925%0.24828%0.275CS..EExtended strand (participates in β ladder)trans-144.6131.4-179.5-167.7179.6175.600109.4T255 I256 N257 N262 T323 T324T255-E260 HydrophobicContact CG2-CG 4.34Å; T255-E260 VanDerWaalsContact CG2-OE2 3.22Å; T255-E260 WeakPolarHBondContact CG2-OE2 3.45Å; I256-E260 CarbonylContact C-O 3.57Å; I256-E260 VanDerWaalsContact CA-O 3.22Å; I256-E260 WeakPolarHBondContact CA-O 3.45Å; N257-E260 PolarHBondContact N-O 3.04Å; N257-E260 WeakPolarHBondContact ND2-CB 3.12Å; N257-E260 PolarHBondContact ND2-OE2 2.64Å; N257-E260 PolarHBondContact O-N 2.73Å; N257-E260 PolarHBondContact OD1-N 2.84Å; E260-N262 HydrophobicContact CG-CB 3.87Å; E260-T323 CarbonylContact C-O 3.49Å; E260-T323 WeakPolarHBondContact CA-O 3.31Å; E260-T324 PolarHBondContact N-O 3Å
261F96.1Very high93.7Very high0 Ų051.6 Ų51.60%024%0.241CC..EExtended strand (participates in β ladder)trans-136.778.8172.7-169-99000108.5L172 V219 L222 I256 F263 H267 F271 T323 S326L172-F261 HydrophobicContact CD1-CD2 3.8Å; L172-F261 HydrophobicContact CD1-CE2 4.21Å; L172-F261 HydrophobicContact CD2-CB 3.67Å; L172-F261 HydrophobicContact CD2-CD2 3.78Å; L172-F261 HydrophobicContact CD2-CG 4.13Å; L172-F261 HydrophobicContact CG-CD2 4.16Å; V219-F261 HydrophobicContact CG1-CE2 3.83Å; V219-F261 HydrophobicContact CG1-CZ 4.44Å; V219-F261 HydrophobicContact CG2-CE2 4.29Å; V219-F261 HydrophobicContact CG2-CZ 4.47Å; L222-F261 HydrophobicContact CD2-CZ 4.28Å; I256-F261 HydrophobicContact CD1-CD2 3.92Å; I256-F261 HydrophobicContact CD1-CE2 3.74Å; I256-F261 HydrophobicContact CG1-CD2 3.86Å; I256-F261 HydrophobicContact CG1-CE2 4.21Å; I256-F261 HydrophobicContact CG2-CD2 4.03Å; F261-F263 HydrophobicContact CD1-CD2 4.5Å; F261-F263 HydrophobicContact CD1-CE2 4.33Å; F261-F263 HydrophobicContact CE1-CD2 4.14Å; F261-F263 AromaticContact CE1-CE2 3.69Å; F261-F263 HydrophobicContact CE1-CE2 3.69Å; F261-F263 HydrophobicContact CE2-CE2 4.22Å; F261-F263 AromaticContact CZ-CE2 3.64Å; F261-F263 HydrophobicContact CZ-CE2 3.64Å; F261-F263 HydrophobicContact CZ-CZ 4.48Å; F261-H267 PolarHBondContact O-CE1 3.29Å; F261-H267 PolarHBondContact O-ND1 3.49Å; F261-F271 HydrophobicContact CE1-CE1 4.4Å; F261-F271 AromaticContact CE1-CE2 3.91Å; F261-F271 HydrophobicContact CE1-CE2 3.91Å; F261-F271 AromaticContact CE1-CZ 3.51Å; F261-F271 HydrophobicContact CE1-CZ 3.51Å; F261-F271 HydrophobicContact CZ-CZ 4.2Å; F261-T323 CarbonylContact C-O 3.54Å; F261-T323 PolarHBondContact N-O 2.89Å; F261-S326 VanDerWaalsContact CD1-CA 3.41Å; F261-S326 WeakPolarHBondContact CZ-OG 3.45Å
262N96.5Very high93.6Very high24 Ų2444.9 Ų44.913%0.12823%0.225CC..EExtended strand (participates in β ladder)trans-120.3123.4-167.4-165.3-5.6000111.2F254 T255 E260 Y264 T323F254-N262 CarbonylContact C-O 3.5Å; F254-N262 WeakPolarHBondContact CA-O 3.48Å; F254-N262 WeakPolarHBondContact CB-O 3.43Å; T255-N262 PolarHBondContact N-O 3.36Å; T255-N262 PolarHBondContact O-N 3.15Å; E260-N262 HydrophobicContact CG-CB 3.87Å; N262-Y264 VanDerWaalsContact OD1-CA 3.31Å; N262-Y264 WeakPolarHBondContact OD1-CA 3.18Å; N262-Y264 PolarHBondContact OD1-N 3.33Å; N262-T323 HydrophobicContact CB-CG2 4.28Å; N262-T323 WeakPolarHBondContact OD1-CG2 3.28Å
263F95.9Very high93.3Very high6 Ų642.9 Ų42.93%0.02622%0.22CC..  trans-103.816.7172.7-78.2-97000111.5L222 Q226 M253 F254 F261 D265 N266 H267 L270 F271L222-F263 HydrophobicContact CD2-CE2 4.5Å; L222-F263 HydrophobicContact CD2-CZ 4.22Å; L222-F263 HydrophobicContact CG-CZ 4.44Å; Q226-F263 HydrophobicContact CB-CE1 4.45Å; Q226-F263 HydrophobicContact CG-CE1 3.99Å; M253-F263 CarbonylContact O-C 3.59Å; M253-F263 WeakPolarHBondContact O-CA 3.19Å; F254-F263 HydrophobicContact CB-CD1 3.73Å; F254-F263 HydrophobicContact CB-CD2 4.35Å; F254-F263 HydrophobicContact CB-CE1 3.85Å; F254-F263 HydrophobicContact CB-CE2 4.45Å; F254-F263 HydrophobicContact CB-CG 3.99Å; F254-F263 HydrophobicContact CB-CZ 4.23Å; F254-F263 AromaticContact CD1-CD1 3.98Å; F254-F263 HydrophobicContact CD1-CD1 3.98Å; F254-F263 AromaticContact CD1-CE1 3.52Å; F254-F263 HydrophobicContact CD1-CE1 3.52Å; F254-F263 HydrophobicContact CD1-CZ 4.22Å; F254-F263 HydrophobicContact CE1-CE1 4.3Å; F254-F263 HydrophobicContact CG-CD1 4.21Å; F254-F263 AromaticContact CG-CE1 3.86Å; F254-F263 HydrophobicContact CG-CE1 3.86Å; F254-F263 HydrophobicContact CG-CZ 4.23Å; F261-F263 HydrophobicContact CD1-CD2 4.5Å; F261-F263 HydrophobicContact CD1-CE2 4.33Å; F261-F263 HydrophobicContact CE1-CD2 4.14Å; F261-F263 AromaticContact CE1-CE2 3.69Å; F261-F263 HydrophobicContact CE1-CE2 3.69Å; F261-F263 HydrophobicContact CE2-CE2 4.22Å; F261-F263 AromaticContact CZ-CE2 3.64Å; F261-F263 HydrophobicContact CZ-CE2 3.64Å; F261-F263 HydrophobicContact CZ-CZ 4.48Å; F263-D265 PolarHBondContact O-N 3.15Å; F263-N266 PolarHBondContact O-N 3.22Å; F263-N266 VanDerWaalsContact O-N 3.12Å; F263-H267 HydrophobicContact CB-CB 3.94Å; F263-H267 PolarHBondContact N-ND1 2.55Å; F263-L270 HydrophobicContact CD1-CD2 3.98Å; F263-L270 HydrophobicContact CD2-CD2 4.32Å; F263-L270 HydrophobicContact CE1-CD2 4.16Å; F263-L270 HydrophobicContact CE2-CD2 4.48Å; F263-L270 HydrophobicContact CG-CD2 4.07Å; F263-L270 HydrophobicContact CZ-CD2 4.41Å; F263-F271 HydrophobicContact CD2-CE2 4.13Å; F263-F271 HydrophobicContact CD2-CZ 4.47Å; F263-F271 HydrophobicContact CE2-CZ 4.42Å
264Y93.5Very high93Very high70 Ų7046.4 Ų46.428%0.27525%0.245SC..G310 helixtrans50.7-130.5-179.6-59-80.7000111.3K252 T255 N262 N266 H267K252-Y264 HydrophobicContact CB-CE2 4.18Å; K252-Y264 HydrophobicContact CD-CE2 3.96Å; K252-Y264 VanDerWaalsContact CD-OH 3.28Å; K252-Y264 WeakPolarHBondContact CD-OH 3.2Å; K252-Y264 VanDerWaalsContact CE-OH 3.31Å; K252-Y264 WeakPolarHBondContact CE-OH 3.41Å; K252-Y264 HydrophobicContact CG-CE2 3.74Å; K252-Y264 PolarHBondContact NZ-OH 3.19Å; T255-Y264 WeakPolarHBondContact CB-OH 3.44Å; T255-Y264 PolarHBondContact OG1-OH 2.6Å; N262-Y264 VanDerWaalsContact OD1-CA 3.31Å; N262-Y264 WeakPolarHBondContact OD1-CA 3.18Å; N262-Y264 PolarHBondContact OD1-N 3.33Å; Y264-N266 PolarHBondContact O-N 3.34Å; Y264-H267 VanDerWaalsContact O-CB 3.28Å; Y264-H267 WeakPolarHBondContact O-CB 3.41Å; Y264-H267 PolarHBondContact O-N 3.42Å
265D89.2Confident92.7Very high162 Ų16249.4 Ų49.487%0.86626%0.262SS*.G310 helixtrans-54.7-25.8-178-56.2-17.8000113.2F263F263-D265 PolarHBondContact O-N 3.15Å
266N91.3Very high92.5Very high75 Ų7549.3 Ų49.340%0.40126%0.261SS..G310 helixtrans-89.8-5.3179.7-70-23.9000113.6F263 Y264 W269 L270F263-N266 PolarHBondContact O-N 3.22Å; F263-N266 VanDerWaalsContact O-N 3.12Å; Y264-N266 PolarHBondContact O-N 3.34Å; N266-W269 PolarHBondContact O-N 2.68Å; N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 PolarHBondContact O-N 3.06Å
267H94Very high92.4Very high2 Ų252.7 Ų52.71%0.00928%0.277CS..Hα-helixtrans-63-59.7-171.5-171.998000112.1F261 F263 Y264 W269 L270 F271 S322F261-H267 PolarHBondContact O-CE1 3.29Å; F261-H267 PolarHBondContact O-ND1 3.49Å; F263-H267 HydrophobicContact CB-CB 3.94Å; F263-H267 PolarHBondContact N-ND1 2.55Å; Y264-H267 VanDerWaalsContact O-CB 3.28Å; Y264-H267 WeakPolarHBondContact O-CB 3.41Å; Y264-H267 PolarHBondContact O-N 3.42Å; H267-W269 VanDerWaalsContact C-N 3.28Å; H267-W269 PolarHBondContact O-N 2.83Å; H267-L270 PolarHBondContact O-N 3.21Å; H267-L270 VanDerWaalsContact O-N 3.17Å; H267-F271 AromaticContact CE1-CD2 3.94Å; H267-F271 AromaticContact CE1-CE2 3.79Å; H267-F271 AromaticContact ND1-CE2 3.89Å; H267-F271 AromaticContact NE2-CD2 3.8Å; H267-F271 WeakPolarHBondContact O-CD2 3.43Å; H267-F271 PolarHBondContact O-N 3.14Å; H267-S322 PolarHBondContact CE1-O 2.79Å; H267-S322 PolarHBondContact NE2-O 3.45Å
268N92Very high92.3Very high38 Ų3855 Ų5520%0.20329%0.288CS..Hα-helixtrans-62.3-38.4178.3-70.8-47.6000112L270 G272 H320 F321N268-L270 PolarHBondContact O-N 3.47Å; N268-G272 VanDerWaalsContact O-CA 3.3Å; N268-G272 WeakPolarHBondContact O-CA 3.4Å; N268-G272 PolarHBondContact O-N 3Å; N268-H320 PolarHBondContact ND2-ND1 3.02Å; N268-H320 WeakPolarHBondContact OD1-CA 3.05Å; N268-F321 PolarHBondContact OD1-N 3.18Å
269W91.3Very high92.5Very high141 Ų14151.3 Ų51.353%0.53427%0.269SS..Hα-helixtrans-59.7-45175.2179.385.5000112N266 H267 T273 L278N266-W269 PolarHBondContact O-N 2.68Å; H267-W269 VanDerWaalsContact C-N 3.28Å; H267-W269 PolarHBondContact O-N 2.83Å; W269-T273 PolarHBondContact NE1-OG1 2.67Å; W269-T273 WeakPolarHBondContact O-CB 3.23Å; W269-T273 PolarHBondContact O-N 2.84Å; W269-T273 PolarHBondContact O-OG1 3.15Å; W269-L278 HydrophobicContact CH2-CD1 3.79Å; W269-L278 HydrophobicContact CZ2-CD1 3.97Å; W269-L278 HydrophobicContact CZ3-CD1 4.18Å
270L92.7Very high92.7Very high7 Ų747.9 Ų47.94%0.03725%0.246CC..Hα-helixtrans-67.3-40.1-175.9-179.462.3000112.5L222 F263 N266 H267 N268 I279L222-L270 HydrophobicContact CD1-CD2 4.38Å; F263-L270 HydrophobicContact CD1-CD2 3.98Å; F263-L270 HydrophobicContact CD2-CD2 4.32Å; F263-L270 HydrophobicContact CE1-CD2 4.16Å; F263-L270 HydrophobicContact CE2-CD2 4.48Å; F263-L270 HydrophobicContact CG-CD2 4.07Å; F263-L270 HydrophobicContact CZ-CD2 4.41Å; N266-L270 WeakPolarHBondContact O-CB 3.41Å; N266-L270 PolarHBondContact O-N 3.06Å; H267-L270 PolarHBondContact O-N 3.21Å; H267-L270 VanDerWaalsContact O-N 3.17Å; N268-L270 PolarHBondContact O-N 3.47Å; L270-I279 HydrophobicContact CD1-CG2 3.56Å; L270-I279 HydrophobicContact CG-CG2 3.73Å
271F93.6Very high92.7Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-93.8-23.9-176.5-64.1-71.2000113.7I217 L222 F261 F263 H267 G276 I279 P303 F321 P327I217-F271 HydrophobicContact CD1-CE1 3.98Å; L222-F271 HydrophobicContact CD2-CZ 4.23Å; F261-F271 HydrophobicContact CE1-CE1 4.4Å; F261-F271 AromaticContact CE1-CE2 3.91Å; F261-F271 HydrophobicContact CE1-CE2 3.91Å; F261-F271 AromaticContact CE1-CZ 3.51Å; F261-F271 HydrophobicContact CE1-CZ 3.51Å; F261-F271 HydrophobicContact CZ-CZ 4.2Å; F263-F271 HydrophobicContact CD2-CE2 4.13Å; F263-F271 HydrophobicContact CD2-CZ 4.47Å; F263-F271 HydrophobicContact CE2-CZ 4.42Å; H267-F271 AromaticContact CE1-CD2 3.94Å; H267-F271 AromaticContact CE1-CE2 3.79Å; H267-F271 AromaticContact ND1-CE2 3.89Å; H267-F271 AromaticContact NE2-CD2 3.8Å; H267-F271 WeakPolarHBondContact O-CD2 3.43Å; H267-F271 PolarHBondContact O-N 3.14Å; F271-G276 WeakPolarHBondContact O-CA 3.43Å; F271-G276 PolarHBondContact O-N 3.27Å; F271-I279 HydrophobicContact CD1-CD1 3.86Å; F271-I279 HydrophobicContact CD1-CG1 3.8Å; F271-I279 HydrophobicContact CE1-CD1 4.14Å; F271-I279 HydrophobicContact CE1-CG1 4.14Å; F271-I279 HydrophobicContact CE1-CG2 4.38Å; F271-P303 WeakPolarHBondContact O-CD 3.46Å; F271-F321 VanDerWaalsContact C-CE2 3.45Å; F271-F321 HydrophobicContact CB-CD1 4.42Å; F271-F321 HydrophobicContact CB-CD2 3.59Å; F271-F321 HydrophobicContact CB-CE2 3.7Å; F271-F321 HydrophobicContact CB-CG 3.97Å; F271-F321 HydrophobicContact CB-CZ 4.16Å; F271-P327 HydrophobicContact CB-CB 4.26Å; F271-P327 HydrophobicContact CB-CG 4.23Å; F271-P327 HydrophobicContact CD1-CB 3.8Å; F271-P327 HydrophobicContact CD1-CG 3.95Å; F271-P327 HydrophobicContact CD2-CG 3.86Å; F271-P327 HydrophobicContact CE1-CB 4.4Å; F271-P327 HydrophobicContact CE1-CG 4.38Å; F271-P327 HydrophobicContact CE2-CG 4.31Å; F271-P327 HydrophobicContact CG-CB 3.94Å; F271-P327 HydrophobicContact CG-CG 3.72Å
272G90.3Very high92.7Very high28 Ų2850.8 Ų50.829%0.28926%0.258SS..Hα-helixtrans-101.7-32.5-175.800000114.9N268 C274 N275N268-G272 VanDerWaalsContact O-CA 3.3Å; N268-G272 WeakPolarHBondContact O-CA 3.4Å; N268-G272 PolarHBondContact O-N 3Å; G272-C274 PolarHBondContact O-N 3.24Å; G272-N275 PolarHBondContact O-N 3.3Å
273T87.2Confident92.8Very high44 Ų4450 Ų5027%0.2725%0.254SS..THydrogen-bonded Turntrans-61.2132.4-176.5-60.80000110.9W269 N275 G276 L278W269-T273 PolarHBondContact NE1-OG1 2.67Å; W269-T273 WeakPolarHBondContact O-CB 3.23Å; W269-T273 PolarHBondContact O-N 2.84Å; W269-T273 PolarHBondContact O-OG1 3.15Å; T273-N275 PolarHBondContact O-N 3.38Å; T273-G276 PolarHBondContact O-N 3.09Å; T273-L278 HydrophobicContact CG2-CD1 4.29Å
274C89.4Confident92.7Very high92 Ų9251 Ų5162%0.62226%0.261SS*.THydrogen-bonded Turntrans49.146.1-173.8-60.10000110.8G272 G276 Q277G272-C274 PolarHBondContact O-N 3.24Å; C274-G276 VanDerWaalsContact C-N 3.26Å; C274-G276 PolarHBondContact O-N 3.42Å; C274-Q277 HydrophobicContact CB-CB 4.32Å; C274-Q277 VanDerWaalsContact O-CB 3.26Å; C274-Q277 WeakPolarHBondContact O-CB 3.35Å; C274-Q277 WeakPolarHBondContact O-CG 3.49Å; C274-Q277 PolarHBondContact O-N 2.95Å
275N90.7Very high92.9Very high64 Ų6447.7 Ų47.734%0.34225%0.248SC..THydrogen-bonded Turntrans5242.6178.5-67.80.3000113.5G272 T273 Q277 F300 F301 P302 E360G272-N275 PolarHBondContact O-N 3.3Å; T273-N275 PolarHBondContact O-N 3.38Å; N275-Q277 PolarHBondContact O-N 3.04Å; N275-Q277 VanDerWaalsContact O-N 3.16Å; N275-F300 WeakPolarHBondContact CB-O 3.46Å; N275-F300 PolarHBondContact ND2-O 3.21Å; N275-F301 CarbonylContact O-C 3.5Å; N275-P302 WeakPolarHBondContact O-CA 3.14Å; N275-E360 PolarHBondContact ND2-OE1 2.6Å
276G91.8Very high93.2Very high0 Ų040.2 Ų40.20%021%0.208CC..THydrogen-bonded Turntrans6811.6179.300000115F271 T273 C274 L278 I279 R280F271-G276 WeakPolarHBondContact O-CA 3.43Å; F271-G276 PolarHBondContact O-N 3.27Å; T273-G276 PolarHBondContact O-N 3.09Å; C274-G276 VanDerWaalsContact C-N 3.26Å; C274-G276 PolarHBondContact O-N 3.42Å; G276-L278 PolarHBondContact O-N 2.98Å; G276-L278 VanDerWaalsContact O-N 3.11Å; G276-I279 WeakPolarHBondContact O-CG1 3.49Å; G276-I279 PolarHBondContact O-N 3.42Å; G276-R280 PolarHBondContact O-N 2.99Å; G276-R280 VanDerWaalsContact O-N 3.11Å
277Q94Very high93.4Very high72 Ų7244.6 Ų44.634%0.33622%0.223SC..THydrogen-bonded Turntrans-62.2-23.1-178.7-68.1-52.5-60.400113.1C274 N275 I279 V299C274-Q277 HydrophobicContact CB-CB 4.32Å; C274-Q277 VanDerWaalsContact O-CB 3.26Å; C274-Q277 WeakPolarHBondContact O-CB 3.35Å; C274-Q277 WeakPolarHBondContact O-CG 3.49Å; C274-Q277 PolarHBondContact O-N 2.95Å; N275-Q277 PolarHBondContact O-N 3.04Å; N275-Q277 VanDerWaalsContact O-N 3.16Å; Q277-I279 VanDerWaalsContact C-N 3.29Å; Q277-I279 PolarHBondContact O-N 3.24Å; Q277-V299 PolarHBondContact NE2-O 2.97Å
278L91.7Very high93.4Very high75 Ų7549.2 Ų49.239%0.39325%0.248SC..THydrogen-bonded Turntrans-63.8-33.1174.9-64.5178.6000113.2W269 T273 G276W269-L278 HydrophobicContact CH2-CD1 3.79Å; W269-L278 HydrophobicContact CZ2-CD1 3.97Å; W269-L278 HydrophobicContact CZ3-CD1 4.18Å; T273-L278 HydrophobicContact CG2-CD1 4.29Å; G276-L278 PolarHBondContact O-N 2.98Å; G276-L278 VanDerWaalsContact O-N 3.11Å
279I94.8Very high93.7Very high0 Ų047.9 Ų47.90%024%0.24CC..THydrogen-bonded Turntrans-104.4-7.1-178.263.596.1000113I217 L222 L270 F271 G276 Q277 K281 Y282 P303 W329I217-I279 HydrophobicContact CD1-CD1 4.44Å; I217-I279 HydrophobicContact CG2-CD1 4.29Å; L222-I279 HydrophobicContact CD1-CG2 4.36Å; L270-I279 HydrophobicContact CD1-CG2 3.56Å; L270-I279 HydrophobicContact CG-CG2 3.73Å; F271-I279 HydrophobicContact CD1-CD1 3.86Å; F271-I279 HydrophobicContact CD1-CG1 3.8Å; F271-I279 HydrophobicContact CE1-CD1 4.14Å; F271-I279 HydrophobicContact CE1-CG1 4.14Å; F271-I279 HydrophobicContact CE1-CG2 4.38Å; G276-I279 WeakPolarHBondContact O-CG1 3.49Å; G276-I279 PolarHBondContact O-N 3.42Å; Q277-I279 VanDerWaalsContact C-N 3.29Å; Q277-I279 PolarHBondContact O-N 3.24Å; I279-K281 PolarHBondContact O-N 2.89Å; I279-Y282 HydrophobicContact CB-CD2 3.92Å; I279-Y282 HydrophobicContact CB-CE2 4.38Å; I279-Y282 HydrophobicContact CG2-CD2 4.3Å; I279-Y282 HydrophobicContact CG2-CE2 4.31Å; I279-Y282 WeakPolarHBondContact O-CB 3.36Å; I279-Y282 VanDerWaalsContact O-CD2 3.25Å; I279-Y282 WeakPolarHBondContact O-CD2 3.3Å; I279-Y282 PolarHBondContact O-N 3.47Å; I279-P303 HydrophobicContact CD1-CG 4.37Å; I279-W329 HydrophobicContact CD1-CH2 3.39Å; I279-W329 HydrophobicContact CD1-CZ3 3.47Å; I279-W329 VanDerWaalsContact CD1-CZ3 3.47Å; I279-W329 HydrophobicContact CG1-CH2 4.25Å
280R95Very high93.8Very high52 Ų5241.4 Ų41.420%0.19622%0.216CC..G310 helixtrans-56.1-28.3179.8-171.363.1-170.885.6-15.8113.9G276 Y282 D283 E296 W329G276-R280 PolarHBondContact O-N 2.99Å; G276-R280 VanDerWaalsContact O-N 3.11Å; R280-Y282 PolarHBondContact O-N 3.14Å; R280-D283 IonicContact CZ-OD2 2.72Å; R280-D283 IonicContact NE-OD2 3.16Å; R280-D283 PolarHBondContact NH1-O 3.19Å; R280-D283 IonicContact NH1-OD2 3.32Å; R280-D283 PolarHBondContact NH1-OD2 3.38Å; R280-D283 IonicContact NH2-OD2 2.78Å; R280-D283 PolarHBondContact NH2-OD2 3.26Å; R280-D283 PolarHBondContact O-N 2.97Å; R280-D283 VanDerWaalsContact O-N 3.11Å; R280-E296 IonicContact NH2-OE2 2.93Å; R280-E296 PolarHBondContact NH2-OE2 2.81Å; R280-W329 HydrophobicContact CB-CH2 4.02Å; R280-W329 HydrophobicContact CG-CH2 4.43Å
281K95.6Very high93.9Very high111 Ų11142.9 Ų42.948%0.48323%0.233SC..G310 helixtrans-62.9-17.4174.264.9176.7172.5156.80114.5D225 I279 T284D225-K281 IonicContact OD2-NZ 3.87Å; D225-K281 PolarHBondContact OD2-NZ 3.13Å; I279-K281 PolarHBondContact O-N 2.89Å; K281-T284 WeakPolarHBondContact O-CG2 3.32Å
282Y97Very high93.8Very high3 Ų349.8 Ų49.81%0.01227%0.27CS..G310 helixtrans-92.2-18.8175.8-53.9-66.1000112.2D218 R221 L222 D225 I279 R280 T284D218-Y282 WeakPolarHBondContact CB-O 3.35Å; D218-Y282 PolarHBondContact N-O 3.32Å; R221-Y282 HydrophobicContact CB-CD1 4.09Å; R221-Y282 HydrophobicContact CB-CE1 4.21Å; R221-Y282 HydrophobicContact CG-CD1 4.12Å; R221-Y282 HydrophobicContact CG-CE1 3.89Å; L222-Y282 HydrophobicContact CB-CD1 4.18Å; L222-Y282 HydrophobicContact CB-CD2 4.08Å; L222-Y282 HydrophobicContact CB-CE1 4.19Å; L222-Y282 HydrophobicContact CB-CE2 4.1Å; L222-Y282 HydrophobicContact CB-CG 4.14Å; L222-Y282 HydrophobicContact CD1-CD2 3.95Å; L222-Y282 HydrophobicContact CD1-CE2 3.43Å; L222-Y282 VanDerWaalsContact CD1-CE2 3.43Å; L222-Y282 HydrophobicContact CG-CE2 4.33Å; D225-Y282 VanDerWaalsContact CB-OH 3.26Å; D225-Y282 WeakPolarHBondContact CB-OH 2.95Å; D225-Y282 WeakPolarHBondContact OD2-CE1 3.49Å; D225-Y282 PolarHBondContact OD2-OH 3.22Å; I279-Y282 HydrophobicContact CB-CD2 3.92Å; I279-Y282 HydrophobicContact CB-CE2 4.38Å; I279-Y282 HydrophobicContact CG2-CD2 4.3Å; I279-Y282 HydrophobicContact CG2-CE2 4.31Å; I279-Y282 WeakPolarHBondContact O-CB 3.36Å; I279-Y282 VanDerWaalsContact O-CD2 3.25Å; I279-Y282 WeakPolarHBondContact O-CD2 3.3Å; I279-Y282 PolarHBondContact O-N 3.47Å; R280-Y282 PolarHBondContact O-N 3.14Å; Y282-T284 PolarHBondContact O-N 2.98Å
283D96.7Very high94Very high7 Ų752 Ų524%0.03727%0.27CS..  trans-77.586.3174.1173.430.4000110.6I217 R280 W329 R332I217-D283 HydrophobicContact CG2-CB 4.1Å; R280-D283 IonicContact CZ-OD2 2.72Å; R280-D283 IonicContact NE-OD2 3.16Å; R280-D283 PolarHBondContact NH1-O 3.19Å; R280-D283 IonicContact NH1-OD2 3.32Å; R280-D283 PolarHBondContact NH1-OD2 3.38Å; R280-D283 IonicContact NH2-OD2 2.78Å; R280-D283 PolarHBondContact NH2-OD2 3.26Å; R280-D283 PolarHBondContact O-N 2.97Å; R280-D283 VanDerWaalsContact O-N 3.11Å; D283-W329 HydrophobicContact CB-CE3 3.61Å; D283-W329 HydrophobicContact CB-CZ3 3.65Å; D283-R332 IonicContact OD1-CZ 2.92Å; D283-R332 IonicContact OD1-NH1 3.98Å; D283-R332 IonicContact OD1-NH2 2.66Å; D283-R332 PolarHBondContact OD1-NH2 2.96Å; D283-R332 IonicContact OD2-CZ 3.58Å; D283-R332 IonicContact OD2-NH1 3.03Å; D283-R332 PolarHBondContact OD2-NH1 2.93Å; D283-R332 IonicContact OD2-NH2 3.33Å; D283-R332 PolarHBondContact OD2-NH2 2.89Å
284T95.5Very high94.4Very high28 Ų2850.1 Ų50.117%0.17226%0.258CS..  trans-114.6-13.8-167.959.30000114.2W179 K281 Y282 N288W179-T284 WeakPolarHBondContact CZ2-OG1 3.29Å; W179-T284 PolarHBondContact NE1-OG1 2.78Å; K281-T284 WeakPolarHBondContact O-CG2 3.32Å; Y282-T284 PolarHBondContact O-N 2.98Å; T284-N288 VanDerWaalsContact O-CB 3.29Å; T284-N288 WeakPolarHBondContact O-CB 3.47Å; T284-N288 PolarHBondContact O-N 3.16Å; T284-N288 VanDerWaalsContact O-N 3.15Å; T284-N288 PolarHBondContact O-ND2 3.19Å; T284-N288 VanDerWaalsContact O-ND2 3.12Å
285E96.5Very high94.7Very high1 Ų148 Ų481%0.00524%0.238CC..Hα-helixtrans-61.4-50.6-173.9-67.6-162.7157.400112.4W179 R187 M215 S216 K287 N288 Y289W179-E285 HydrophobicContact CH2-CG 3.68Å; W179-E285 WeakPolarHBondContact CH2-OE1 3.37Å; W179-E285 HydrophobicContact CZ2-CG 3.58Å; R187-E285 IonicContact CZ-OE1 3.89Å; R187-E285 IonicContact CZ-OE2 3.54Å; R187-E285 VanDerWaalsContact CZ-OE2 3.28Å; R187-E285 IonicContact NE-OE1 3.78Å; R187-E285 IonicContact NE-OE2 3.38Å; R187-E285 PolarHBondContact NE-OE2 3.03Å; R187-E285 IonicContact NH2-OE1 2.91Å; R187-E285 PolarHBondContact NH2-OE1 3.2Å; R187-E285 IonicContact NH2-OE2 2.84Å; R187-E285 PolarHBondContact NH2-OE2 3.18Å; M215-E285 WeakPolarHBondContact CA-OE2 3.49Å; M215-E285 HydrophobicContact CB-CB 4.12Å; M215-E285 WeakPolarHBondContact CB-OE2 3.36Å; M215-E285 HydrophobicContact CG-CB 3.91Å; M215-E285 WeakPolarHBondContact CG-OE2 3.36Å; M215-E285 HydrophobicContact SD-CB 3.97Å; S216-E285 PolarHBondContact N-OE2 3.44Å; S216-E285 VanDerWaalsContact N-OE2 3.15Å; E285-K287 PolarHBondContact O-N 3.02Å; E285-N288 PolarHBondContact O-N 3.46Å; E285-N288 VanDerWaalsContact O-N 3.09Å; E285-Y289 HydrophobicContact CB-CD2 3.98Å; E285-Y289 HydrophobicContact CB-CE1 4.37Å; E285-Y289 HydrophobicContact CB-CE2 3.58Å; E285-Y289 HydrophobicContact CG-CE1 4.43Å; E285-Y289 HydrophobicContact CG-CE2 3.84Å; E285-Y289 WeakPolarHBondContact CG-OH 3.46Å; E285-Y289 VanDerWaalsContact O-CB 3.3Å; E285-Y289 WeakPolarHBondContact O-CB 3.46Å; E285-Y289 WeakPolarHBondContact O-CD1 3.38Å; E285-Y289 PolarHBondContact O-N 3.41Å; E285-Y289 PolarHBondContact OE1-OH 2.98Å; E285-Y289 VanDerWaalsContact OE1-OH 3.06Å
286M96.1Very high95Very high5 Ų547 Ų473%0.02523%0.232CC..Hα-helixtrans-50.9-58.8-175.4-169.766.9-136.600111.1F213 M215 N288 Y289 V290 E296 V334F213-M286 HydrophobicContact CD1-SD 4.29Å; F213-M286 HydrophobicContact CE1-CE 4.3Å; F213-M286 HydrophobicContact CE1-SD 4.27Å; M215-M286 HydrophobicContact CE-CB 4.26Å; M215-M286 HydrophobicContact CE-SD 3.53Å; M215-M286 VanDerWaalsContact CE-SD 3.53Å; M215-M286 WeakPolarHBondContact SD-CA 3.41Å; M215-M286 HydrophobicContact SD-CB 3.52Å; M215-M286 VanDerWaalsContact SD-CB 3.52Å; M215-M286 HydrophobicContact SD-CG 4.16Å; M215-M286 PolarHBondContact SD-N 3.49Å; M215-M286 VanDerWaalsContact SD-N 3.36Å; M215-M286 HydrophobicContact SD-SD 3.61Å; M215-M286 VanDerWaalsContact SD-SD 3.61Å; M286-N288 VanDerWaalsContact C-N 3.34Å; M286-N288 PolarHBondContact O-N 2.92Å; M286-Y289 PolarHBondContact O-N 2.72Å; M286-V290 HydrophobicContact CE-CB 4.13Å; M286-V290 HydrophobicContact CE-CG1 3.32Å; M286-V290 HydrophobicContact CE-CG2 3.78Å; M286-V290 VanDerWaalsContact O-CG2 3.32Å; M286-V290 WeakPolarHBondContact O-CG2 3.13Å; M286-V290 PolarHBondContact O-N 2.76Å; M286-V290 VanDerWaalsContact O-N 3.14Å; M286-E296 HydrophobicContact CG-CB 4.38Å; M286-V334 HydrophobicContact CE-CB 4.17Å; M286-V334 HydrophobicContact CE-CG1 3.77Å; M286-V334 HydrophobicContact CE-CG2 3.84Å; M286-V334 HydrophobicContact SD-CG1 4.1Å
287K94.5Very high95.2Very high167 Ų16748 Ų4873%0.72624%0.238SC*.Hα-helixtrans-60.4-41.8-179.9-176177179.71770112.4E285 Y289 G291E285-K287 PolarHBondContact O-N 3.02Å; K287-Y289 VanDerWaalsContact C-N 3.34Å; K287-G291 PolarHBondContact O-N 2.99Å
288N95.8Very high95.2Very high99 Ų9951.9 Ų51.953%0.52926%0.256SS..Hα-helixtrans-72.9-27.3-176.7-70.5-17.6000113.1T284 E285 M286T284-N288 VanDerWaalsContact O-CB 3.29Å; T284-N288 WeakPolarHBondContact O-CB 3.47Å; T284-N288 PolarHBondContact O-N 3.16Å; T284-N288 VanDerWaalsContact O-N 3.15Å; T284-N288 PolarHBondContact O-ND2 3.19Å; T284-N288 VanDerWaalsContact O-ND2 3.12Å; E285-N288 PolarHBondContact O-N 3.46Å; E285-N288 VanDerWaalsContact O-N 3.09Å; M286-N288 VanDerWaalsContact C-N 3.34Å; M286-N288 PolarHBondContact O-N 2.92Å
289Y96.7Very high95.4Very high9 Ų948.7 Ų48.74%0.03524%0.239CC..Hα-helixtrans-91.1-40.2-173-63.8-3.6000111.6G184 R187 K188 M215 E285 M286 K287 R293G184-Y289 WeakPolarHBondContact CA-OH 3.22Å; G184-Y289 WeakPolarHBondContact O-CE2 3.46Å; G184-Y289 PolarHBondContact O-OH 2.91Å; R187-Y289 HydrophobicContact CB-CE2 4.42Å; K188-Y289 HydrophobicContact CB-CD1 3.97Å; K188-Y289 HydrophobicContact CB-CD2 3.86Å; K188-Y289 HydrophobicContact CB-CE1 4.05Å; K188-Y289 HydrophobicContact CB-CE2 3.92Å; K188-Y289 HydrophobicContact CB-CG 3.89Å; K188-Y289 HydrophobicContact CD-CD1 3.74Å; K188-Y289 HydrophobicContact CD-CE1 3.95Å; K188-Y289 HydrophobicContact CD-CG 4.35Å; K188-Y289 HydrophobicContact CG-CD1 3.78Å; K188-Y289 HydrophobicContact CG-CD2 4.35Å; K188-Y289 HydrophobicContact CG-CE1 4.23Å; K188-Y289 HydrophobicContact CG-CG 3.86Å; M215-Y289 HydrophobicContact CE-CD2 4.16Å; E285-Y289 HydrophobicContact CB-CD2 3.98Å; E285-Y289 HydrophobicContact CB-CE1 4.37Å; E285-Y289 HydrophobicContact CB-CE2 3.58Å; E285-Y289 HydrophobicContact CG-CE1 4.43Å; E285-Y289 HydrophobicContact CG-CE2 3.84Å; E285-Y289 WeakPolarHBondContact CG-OH 3.46Å; E285-Y289 VanDerWaalsContact O-CB 3.3Å; E285-Y289 WeakPolarHBondContact O-CB 3.46Å; E285-Y289 WeakPolarHBondContact O-CD1 3.38Å; E285-Y289 PolarHBondContact O-N 3.41Å; E285-Y289 PolarHBondContact OE1-OH 2.98Å; E285-Y289 VanDerWaalsContact OE1-OH 3.06Å; M286-Y289 PolarHBondContact O-N 2.72Å; K287-Y289 VanDerWaalsContact C-N 3.34Å; Y289-R293 PolarHBondContact O-NH2 2.93Å; Y289-R293 VanDerWaalsContact O-NH2 3.11Å
290V95.2Very high95.3Very high6 Ų655.2 Ų55.24%0.03627%0.268CS..Hα-helixtrans-89.1-27.1-178-52.70000113.2L191 L195 M286 D292 R293 L294L191-V290 HydrophobicContact CD2-CG1 3.69Å; L191-V290 HydrophobicContact CG-CG1 4.38Å; L195-V290 HydrophobicContact CD1-CB 4.31Å; L195-V290 HydrophobicContact CD1-CG1 4.02Å; M286-V290 HydrophobicContact CE-CB 4.13Å; M286-V290 HydrophobicContact CE-CG1 3.32Å; M286-V290 HydrophobicContact CE-CG2 3.78Å; M286-V290 VanDerWaalsContact O-CG2 3.32Å; M286-V290 WeakPolarHBondContact O-CG2 3.13Å; M286-V290 PolarHBondContact O-N 2.76Å; M286-V290 VanDerWaalsContact O-N 3.14Å; V290-D292 PolarHBondContact O-N 2.87Å; V290-R293 WeakPolarHBondContact O-CB 3.37Å; V290-R293 PolarHBondContact O-N 3.07Å; V290-R293 PolarHBondContact O-NE 3.31Å; V290-L294 HydrophobicContact CB-CB 4.02Å; V290-L294 HydrophobicContact CB-CD1 4.5Å; V290-L294 HydrophobicContact CB-CG 4.48Å; V290-L294 HydrophobicContact CG1-CB 4.37Å; V290-L294 HydrophobicContact CG1-CD1 4.11Å; V290-L294 HydrophobicContact CG2-CB 3.92Å; V290-L294 WeakPolarHBondContact CG2-O 3.31Å
291G92.9Very high95.3Very high38 Ų3852.9 Ų52.939%0.39226%0.259SS..THydrogen-bonded Turntrans60.6-128.3-173.700000110.7K287K287-G291 PolarHBondContact O-N 2.99Å
292D91.6Very high95.3Very high144 Ų14447.9 Ų47.977%0.7724%0.238SC*.THydrogen-bonded Turntrans-923.2180-56-39.4000113.1V290 F295V290-D292 PolarHBondContact O-N 2.87Å; D292-F295 WeakPolarHBondContact O-CE2 3.24Å; D292-F295 WeakPolarHBondContact O-CZ 3.48Å
293R94.4Very high95.2Very high74 Ų7447.8 Ų47.828%0.27924%0.238SC..SBendtrans-71.5-34.9-179.3-67.6-179.2-71.2179.7-0.2112.3N192 D196 Y289 V290N192-R293 PolarHBondContact OD1-NH2 3.15Å; D196-R293 IonicContact OD1-NH1 2.68Å; D196-R293 PolarHBondContact OD1-NH1 2.92Å; D196-R293 VanDerWaalsContact OD1-NH1 3.15Å; Y289-R293 PolarHBondContact O-NH2 2.93Å; Y289-R293 VanDerWaalsContact O-NH2 3.11Å; V290-R293 WeakPolarHBondContact O-CB 3.37Å; V290-R293 PolarHBondContact O-N 3.07Å; V290-R293 PolarHBondContact O-NE 3.31Å
294L96.6Very high95.2Very high5 Ų547.4 Ų47.43%0.02624%0.236CC..  trans-135.5148.8-178.7-63.1177.6000111L195 M202 F209 V290 V334 M335 N336L195-L294 HydrophobicContact CD1-CD1 4.33Å; L195-L294 HydrophobicContact CD2-CD1 3.4Å; L195-L294 VanDerWaalsContact CD2-CD1 3.4Å; L195-L294 HydrophobicContact CD2-CD2 4.49Å; L195-L294 HydrophobicContact CD2-CG 3.98Å; L195-L294 HydrophobicContact CG-CD1 4.49Å; M202-L294 HydrophobicContact SD-CD2 4.35Å; F209-L294 HydrophobicContact CB-CD1 4.5Å; F209-L294 HydrophobicContact CD1-CD1 4.46Å; F209-L294 HydrophobicContact CD2-CD1 4.08Å; F209-L294 HydrophobicContact CD2-CD2 3.5Å; F209-L294 HydrophobicContact CD2-CG 4.47Å; F209-L294 HydrophobicContact CE2-CD1 4.44Å; F209-L294 HydrophobicContact CE2-CD2 3.45Å; F209-L294 VanDerWaalsContact CE2-CD2 3.45Å; F209-L294 HydrophobicContact CG-CD1 4.11Å; F209-L294 HydrophobicContact CG-CD2 4.35Å; F209-L294 HydrophobicContact CZ-CD2 4.24Å; V290-L294 HydrophobicContact CB-CB 4.02Å; V290-L294 HydrophobicContact CB-CD1 4.5Å; V290-L294 HydrophobicContact CB-CG 4.48Å; V290-L294 HydrophobicContact CG1-CB 4.37Å; V290-L294 HydrophobicContact CG1-CD1 4.11Å; V290-L294 HydrophobicContact CG2-CB 3.92Å; V290-L294 WeakPolarHBondContact CG2-O 3.31Å; L294-V334 HydrophobicContact CB-CG2 4.21Å; L294-V334 HydrophobicContact CD1-CG2 3.81Å; L294-M335 CarbonylContact C-O 3.53Å; L294-M335 WeakPolarHBondContact CA-O 3.41Å; L294-N336 HydrophobicContact CD2-CB 4.39Å
295F96Very high95.2Very high48 Ų4846.1 Ų46.121%0.21123%0.228CC..BIsolated β-bridgetrans-118.7122.8-177.2-60.9-89.7000109.3D292 V334 M335 E337D292-F295 WeakPolarHBondContact O-CE2 3.24Å; D292-F295 WeakPolarHBondContact O-CZ 3.48Å; F295-V334 WeakPolarHBondContact O-CA 3.45Å; F295-V334 WeakPolarHBondContact O-CB 3.25Å; F295-M335 HydrophobicContact CB-CG 4.38Å; F295-M335 PolarHBondContact N-O 3.41Å; F295-M335 PolarHBondContact O-N 3.05Å; F295-E337 HydrophobicContact CD2-CB 4.38Å; F295-E337 WeakPolarHBondContact CD2-OE2 3.22Å; F295-E337 HydrophobicContact CE2-CB 3.7Å; F295-E337 HydrophobicContact CE2-CG 4.39Å; F295-E337 WeakPolarHBondContact CE2-OE2 3.17Å; F295-E337 HydrophobicContact CZ-CB 4.38Å; F295-E337 WeakPolarHBondContact CZ-OE2 3.09Å
296E97.1Very high95.1Very high43 Ų4346.7 Ų46.720%0.20123%0.231CC..PPolyproline II helixtrans-95.5127.3167.1-171.1173.5-14800108.4R280 M286 V299 R332 V334 Y355R280-E296 IonicContact NH2-OE2 2.93Å; R280-E296 PolarHBondContact NH2-OE2 2.81Å; M286-E296 HydrophobicContact CG-CB 4.38Å; E296-V299 HydrophobicContact CG-CG2 4.3Å; E296-R332 WeakPolarHBondContact OE1-CD 3.17Å; E296-R332 IonicContact OE1-CZ 3.69Å; E296-R332 IonicContact OE1-NH1 3.86Å; E296-R332 PolarHBondContact OE1-NH1 2.68Å; E296-R332 VanDerWaalsContact OE1-NH1 3.15Å; E296-R332 IonicContact OE2-NH1 2.84Å; E296-R332 PolarHBondContact OE2-NH1 3.25Å; E296-V334 HydrophobicContact CB-CG1 3.64Å; E296-V334 HydrophobicContact CG-CG1 3.83Å; E296-Y355 HydrophobicContact CG-CE1 3.66Å; E296-Y355 PolarHBondContact OE1-OH 3.47Å
297P95.2Very high95Very high20 Ų2046.5 Ų46.513%0.1323%0.23CC..PPolyproline II helixtrans-58.8160.7169.5-21.333.1000111.4V299 M335 L353 Y355 L372P297-V299 PolarHBondContact O-N 2.78Å; P297-M335 HydrophobicContact CG-CE 3.58Å; P297-L353 HydrophobicContact CB-CD2 4.27Å; P297-L353 HydrophobicContact CG-CD2 4.43Å; P297-Y355 HydrophobicContact CB-CD1 3.7Å; P297-Y355 HydrophobicContact CB-CE1 4.49Å; P297-Y355 HydrophobicContact CB-CG 4.02Å; P297-Y355 HydrophobicContact CG-CD1 4.11Å; P297-Y355 HydrophobicContact CG-CG 4.23Å; P297-L372 HydrophobicContact CG-CD1 3.8Å
298H93.7Very high94.9Very high154 Ų15440.9 Ų40.971%0.71321%0.209SC*.PPolyproline II helixtrans-60.4125.2179.2-70.4-67.1000111.7F300H298-F300 HydrophobicContact CB-CD2 4.08Å; H298-F300 HydrophobicContact CB-CE2 3.39Å; H298-F300 HydrophobicContact CB-CZ 3.72Å; H298-F300 PolarHBondContact O-N 2.64Å
299V95.6Very high94.4Very high8 Ų839.8 Ų39.85%0.04821%0.207CC..  trans-87.2105.2179.9176.40000109.5Q277 E296 P297 F301 W329 Y355Q277-V299 PolarHBondContact NE2-O 2.97Å; E296-V299 HydrophobicContact CG-CG2 4.3Å; P297-V299 PolarHBondContact O-N 2.78Å; V299-F301 HydrophobicContact CB-CE1 4.26Å; V299-F301 HydrophobicContact CB-CZ 4.48Å; V299-F301 HydrophobicContact CG1-CD1 4Å; V299-F301 HydrophobicContact CG1-CD2 4.12Å; V299-F301 HydrophobicContact CG1-CE1 3.84Å; V299-F301 HydrophobicContact CG1-CE2 3.98Å; V299-F301 HydrophobicContact CG1-CG 4.17Å; V299-F301 HydrophobicContact CG1-CZ 3.83Å; V299-F301 HydrophobicContact CG2-CE1 4.2Å; V299-F301 HydrophobicContact CG2-CZ 4.17Å; V299-W329 HydrophobicContact CG1-CD2 4.47Å; V299-W329 HydrophobicContact CG1-CG 4.31Å; V299-W329 VanDerWaalsContact CG1-NE1 3.31Å; V299-Y355 HydrophobicContact CG2-CD1 4.14Å; V299-Y355 HydrophobicContact CG2-CE1 3.61Å
300F94.1Very high93.4Very high137 Ų13742 Ų4260%0.60122%0.22SC*.  trans-107.92.3175.2-63.5-68000113.7N275 H298N275-F300 WeakPolarHBondContact CB-O 3.46Å; N275-F300 PolarHBondContact ND2-O 3.21Å; H298-F300 HydrophobicContact CB-CD2 4.08Å; H298-F300 HydrophobicContact CB-CE2 3.39Å; H298-F300 HydrophobicContact CB-CZ 3.72Å; H298-F300 PolarHBondContact O-N 2.64Å
301F95.1Very high92Very high4 Ų447 Ų472%0.01826%0.255CS..SBendtrans-97.1155178.154.3-91.1000111.1N275 V299 T304 W329 Y355 G356 I357 V370N275-F301 CarbonylContact O-C 3.5Å; V299-F301 HydrophobicContact CB-CE1 4.26Å; V299-F301 HydrophobicContact CB-CZ 4.48Å; V299-F301 HydrophobicContact CG1-CD1 4Å; V299-F301 HydrophobicContact CG1-CD2 4.12Å; V299-F301 HydrophobicContact CG1-CE1 3.84Å; V299-F301 HydrophobicContact CG1-CE2 3.98Å; V299-F301 HydrophobicContact CG1-CG 4.17Å; V299-F301 HydrophobicContact CG1-CZ 3.83Å; V299-F301 HydrophobicContact CG2-CE1 4.2Å; V299-F301 HydrophobicContact CG2-CZ 4.17Å; F301-T304 HydrophobicContact CE2-CG2 4.12Å; F301-W329 AromaticContact CD2-CD1 3.86Å; F301-W329 AromaticContact CD2-NE1 3.92Å; F301-W329 AromaticContact CE2-CD1 3.54Å; F301-W329 PolarHBondContact O-NE1 3.17Å; F301-Y355 VanDerWaalsContact CD1-O 3.31Å; F301-Y355 WeakPolarHBondContact CD1-O 3.43Å; F301-Y355 AromaticContact CE1-CD1 3.6Å; F301-Y355 HydrophobicContact CE1-CD1 3.6Å; F301-Y355 HydrophobicContact CE1-CD2 4.12Å; F301-Y355 AromaticContact CE1-CE1 3.76Å; F301-Y355 HydrophobicContact CE1-CE1 3.76Å; F301-Y355 HydrophobicContact CE1-CE2 4.25Å; F301-Y355 AromaticContact CE1-CG 3.78Å; F301-Y355 HydrophobicContact CE1-CG 3.78Å; F301-Y355 HydrophobicContact CZ-CD1 4.16Å; F301-Y355 HydrophobicContact CZ-CD2 4.44Å; F301-Y355 AromaticContact CZ-CE1 3.83Å; F301-Y355 HydrophobicContact CZ-CE1 3.83Å; F301-Y355 HydrophobicContact CZ-CE2 4.13Å; F301-Y355 HydrophobicContact CZ-CG 4.45Å; F301-Y355 AromaticContact CZ-CZ 3.8Å; F301-G356 VanDerWaalsContact CD1-CA 3.4Å; F301-I357 HydrophobicContact CB-CG1 4.18Å; F301-I357 HydrophobicContact CB-CG2 4.36Å; F301-I357 HydrophobicContact CD2-CG2 3.49Å; F301-I357 VanDerWaalsContact CD2-CG2 3.49Å; F301-I357 HydrophobicContact CE2-CG2 3.97Å; F301-I357 HydrophobicContact CG-CG2 4.15Å; F301-V370 HydrophobicContact CE2-CG2 3.99Å; F301-V370 HydrophobicContact CZ-CG1 4.11Å; F301-V370 HydrophobicContact CZ-CG2 4.31Å
302P94.4Very high90.6Very high6 Ų649.7 Ų49.74%0.03926%0.26CS..PPolyproline II helixtrans-64.1169.8177.827.3-34.8000112.4N275 F321 W329 I357N275-P302 WeakPolarHBondContact O-CA 3.14Å; P302-F321 HydrophobicContact CB-CZ 4.14Å; P302-W329 VanDerWaalsContact C-NE1 3.31Å; P302-W329 PolarHBondContact O-NE1 3.38Å; P302-I357 HydrophobicContact CG-CD1 3.66Å
303P96.2Very high88.8Confident0 Ų048.1 Ų48.10%027%0.268CS..PPolyproline II helixtrans-47.3144.3172.4-29.936.8000113.3F271 I279 D305 Y307 F321 P327 G328 W329F271-P303 WeakPolarHBondContact O-CD 3.46Å; I279-P303 HydrophobicContact CD1-CG 4.37Å; P303-D305 VanDerWaalsContact C-N 3.3Å; P303-D305 PolarHBondContact O-N 3.15Å; P303-Y307 WeakPolarHBondContact O-CE2 3.48Å; P303-Y307 VanDerWaalsContact O-CZ 3.28Å; P303-Y307 PolarHBondContact O-OH 3.22Å; P303-F321 HydrophobicContact CB-CE1 3.94Å; P303-F321 HydrophobicContact CG-CE1 4.14Å; P303-F321 HydrophobicContact CG-CZ 4.36Å; P303-P327 HydrophobicContact CB-CB 3.94Å; P303-P327 HydrophobicContact CG-CB 4.12Å; P303-G328 CarbonylContact C-O 3.56Å; P303-G328 WeakPolarHBondContact CA-O 3.32Å; P303-G328 WeakPolarHBondContact CB-O 3.4Å; P303-W329 HydrophobicContact CG-CH2 4.27Å; P303-W329 HydrophobicContact CG-CZ2 4.06Å
304T96.6Very high86.7Confident0 Ų053.8 Ų53.80%030%0.297CS..SBendtrans-75.9-22.9-176.158.10000113.1F301 Y307 G328 R330 S331 I357 K368 V370F301-T304 HydrophobicContact CE2-CG2 4.12Å; T304-Y307 WeakPolarHBondContact O-CE2 3.29Å; T304-G328 PolarHBondContact N-O 2.66Å; T304-G328 PolarHBondContact OG1-O 3.35Å; T304-R330 PolarHBondContact OG1-N 3.14Å; T304-S331 PolarHBondContact OG1-N 3.13Å; T304-I357 HydrophobicContact CG2-CG2 4.32Å; T304-K368 PolarHBondContact O-N 2.96Å; T304-V370 HydrophobicContact CG2-CG2 3.25Å
305D94.7Very high84.7Confident0 Ų055.2 Ų55.20%031%0.308CS..BIsolated β-bridgetrans-159.7160.9-179.24162.4000108.9P303 P327 G328 R330 S367P303-D305 VanDerWaalsContact C-N 3.3Å; P303-D305 PolarHBondContact O-N 3.15Å; D305-P327 CarbonylContact O-C 3.59Å; D305-P327 WeakPolarHBondContact O-CA 3.41Å; D305-G328 PolarHBondContact N-O 3.4Å; D305-G328 PolarHBondContact O-N 3.33Å; D305-R330 WeakPolarHBondContact OD1-CD 3.03Å; D305-R330 VanDerWaalsContact OD1-CG 3.28Å; D305-R330 WeakPolarHBondContact OD1-CG 3.31Å; D305-R330 IonicContact OD1-CZ 3.76Å; D305-R330 IonicContact OD1-NE 3.92Å; D305-R330 IonicContact OD1-NH1 2.81Å; D305-R330 PolarHBondContact OD1-NH1 3.11Å; D305-R330 WeakPolarHBondContact OD2-CB 3.28Å; D305-S367 PolarHBondContact OD2-OG 2.89Å
306F94.6Very high82.7Confident14 Ų1460.6 Ų60.66%0.06134%0.339CS..  cis-102.9134.3-1.6-60.3-81.7000109.6F18 F321 S322 N325 E366F18-F306 HydrophobicContact CE1-CD1 4.16Å; F18-F306 AromaticContact CE1-CE1 3.98Å; F18-F306 HydrophobicContact CE1-CE1 3.98Å; F18-F306 HydrophobicContact CE2-CD1 4.49Å; F18-F306 AromaticContact CE2-CE1 4Å; F18-F306 HydrophobicContact CE2-CE1 4Å; F18-F306 AromaticContact CZ-CD1 4Å; F18-F306 HydrophobicContact CZ-CD1 4Å; F18-F306 AromaticContact CZ-CE1 3.43Å; F18-F306 HydrophobicContact CZ-CE1 3.43Å; F18-F306 VanDerWaalsContact CZ-CE1 3.43Å; F306-F321 CarbonylContact O-C 3.57Å; F306-F321 VanDerWaalsContact O-CA 3.3Å; F306-F321 WeakPolarHBondContact O-CA 3.34Å; F306-S322 PolarHBondContact O-N 3.12Å; F306-N325 HydrophobicContact CD2-CB 3.35Å; F306-N325 HydrophobicContact CE2-CB 3.34Å; F306-N325 HydrophobicContact CG-CB 4.3Å; F306-N325 HydrophobicContact CZ-CB 4.31Å; F306-E366 CarbonylContact C-O 3.58Å; F306-E366 WeakPolarHBondContact CA-O 3.01Å; F306-E366 HydrophobicContact CB-CG 3.85Å; F306-E366 HydrophobicContact CD1-CG 3.86Å; F306-E366 VanDerWaalsContact CD1-OE1 3.26Å; F306-E366 WeakPolarHBondContact CD1-OE1 3.37Å; F306-E366 HydrophobicContact CG-CG 4.35Å
307Y94.3Very high80.8Confident1 Ų163.1 Ų63.10%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-99.9155.7176.4-67.8-82.2000111.6P303 T304 L319 H320 F321 E366 K368P303-Y307 WeakPolarHBondContact O-CE2 3.48Å; P303-Y307 VanDerWaalsContact O-CZ 3.28Å; P303-Y307 PolarHBondContact O-OH 3.22Å; T304-Y307 WeakPolarHBondContact O-CE2 3.29Å; Y307-L319 HydrophobicContact CD1-CB 4.28Å; Y307-L319 HydrophobicContact CD1-CD2 4.21Å; Y307-L319 HydrophobicContact CE1-CB 4.16Å; Y307-L319 HydrophobicContact CE1-CD1 3.94Å; Y307-L319 HydrophobicContact CE1-CD2 4.3Å; Y307-L319 HydrophobicContact CE1-CG 4.39Å; Y307-H320 CarbonylContact C-O 3.49Å; Y307-H320 WeakPolarHBondContact CA-O 3.26Å; Y307-F321 HydrophobicContact CD1-CD1 4.28Å; Y307-F321 HydrophobicContact CD1-CE1 4.17Å; Y307-F321 HydrophobicContact CE1-CD1 4.17Å; Y307-F321 AromaticContact CE1-CE1 3.6Å; Y307-F321 HydrophobicContact CE1-CE1 3.6Å; Y307-F321 AromaticContact CE1-CZ 3.95Å; Y307-F321 HydrophobicContact CE1-CZ 3.95Å; Y307-F321 AromaticContact CZ-CE1 3.91Å; Y307-E366 PolarHBondContact N-O 2.91Å; Y307-E366 WeakPolarHBondContact O-CA 3.01Å; Y307-E366 WeakPolarHBondContact O-CB 3.36Å; Y307-E366 WeakPolarHBondContact O-CG 3.45Å; Y307-K368 HydrophobicContact CD2-CD 4.14Å; Y307-K368 HydrophobicContact CD2-CG 3.83Å; Y307-K368 HydrophobicContact CE2-CB 4.12Å; Y307-K368 HydrophobicContact CE2-CD 3.65Å; Y307-K368 HydrophobicContact CE2-CG 3.64Å
308T91.7Very high79.2Confident48 Ų4866.5 Ų66.529%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-127.2148170.251.10000109.6N310 H320 Y363T308-N310 PolarHBondContact O-N 2.94Å; T308-H320 PolarHBondContact N-O 3.21Å; T308-H320 WeakPolarHBondContact OG1-CB 3.35Å; T308-H320 PolarHBondContact OG1-O 3.3Å; T308-Y363 VanDerWaalsContact C-CE2 3.49Å
309P86.1Confident78.2Confident76 Ų7660.8 Ų60.849%0.49435%0.348SS..  trans-56.2135.5173.1-20.630.5000110.2S311 Y363P309-S311 PolarHBondContact O-N 3.34Å; P309-S311 VanDerWaalsContact O-N 3.17Å; P309-Y363 HydrophobicContact CB-CD1 4.44Å; P309-Y363 HydrophobicContact CB-CE1 4.45Å; P309-Y363 HydrophobicContact CG-CD1 4.21Å; P309-Y363 HydrophobicContact CG-CE1 3.74Å; P309-Y363 HydrophobicContact CG-CE2 4.22Å
310N75.6Confident77.9Confident55 Ų5561.7 Ų61.729%0.29435%0.352SS..  trans-69.6113.6169.8-174.61.6000108.3T308 D312 D317 H320T308-N310 PolarHBondContact O-N 2.94Å; N310-D312 WeakPolarHBondContact OD1-CA 3.48Å; N310-D312 PolarHBondContact OD1-N 3.43Å; N310-D312 PolarHBondContact OD1-O 3.19Å; N310-D317 PolarHBondContact ND2-O 3.44Å; N310-H320 PolarHBondContact OD1-NE2 2.99Å
311S66.7Low77.9Confident112 Ų11255.6 Ų55.678%0.78333%0.325SS*.  trans-96.3-9.6175.350.20000112.6P309 A313P309-S311 PolarHBondContact O-N 3.34Å; P309-S311 VanDerWaalsContact O-N 3.17Å; S311-A313 PolarHBondContact O-N 3.05Å
312D62.6Low77.8Confident94 Ų9455.7 Ų55.750%0.50333%0.326SS..  trans-93.797.3-177.1-67.4-32.5000109.7N310 E314 S315N310-D312 WeakPolarHBondContact OD1-CA 3.48Å; N310-D312 PolarHBondContact OD1-N 3.43Å; N310-D312 PolarHBondContact OD1-O 3.19Å; D312-E314 PolarHBondContact O-N 2.99Å; D312-S315 WeakPolarHBondContact O-CB 3.44Å; D312-S315 PolarHBondContact O-N 3.33Å
313A53.4Low77.8Confident112 Ų11258.1 Ų58.193%0.92634%0.341SS*.THydrogen-bonded Turntrans-58.4-15.4175.500000113.9S311S311-A313 PolarHBondContact O-N 3.05Å
314E50.4Low77.7Confident193 Ų19361.1 Ų61.190%0.90236%0.359SS*.THydrogen-bonded Turntrans-94.5-9.5178.4-60.6-172172.300113.6D312D312-E314 PolarHBondContact O-N 2.99Å
315S54.2Low77.5Confident34 Ų3463.8 Ų63.824%0.23837%0.374CS..  trans-75.7124.9178167.40000110.4D312 D317 H320D312-S315 WeakPolarHBondContact O-CB 3.44Å; D312-S315 PolarHBondContact O-N 3.33Å; S315-D317 WeakPolarHBondContact OG-CB 3.48Å; S315-D317 PolarHBondContact OG-N 3.48Å; S315-D317 PolarHBondContact OG-O 2.78Å; S315-H320 PolarHBondContact OG-NE2 2.99Å; S315-H320 VanDerWaalsContact OG-NE2 3.14Å
316N54.4Low77.4Confident161 Ų16164 Ų6486%0.86138%0.375SS*.  trans-74.6-12.9167.3-75.4-25.7000112.1V318N316-V318 PolarHBondContact O-N 3.35Å
317D56.7Low77.5Confident96 Ų9663.3 Ų63.351%0.51337%0.372SS..  trans-79.7111-179.6-70-23000108.5N310 S315 L319N310-D317 PolarHBondContact ND2-O 3.44Å; S315-D317 WeakPolarHBondContact OG-CB 3.48Å; S315-D317 PolarHBondContact OG-N 3.48Å; S315-D317 PolarHBondContact OG-O 2.78Å; D317-L319 PolarHBondContact O-N 3.32Å
318V63.3Low77.5Confident91 Ų9163.3 Ų63.355%0.55237%0.372SS*.SBendtrans-67.9-20.4-176.1-155.90000111.7N316 P361N316-V318 PolarHBondContact O-N 3.35Å; V318-P361 WeakPolarHBondContact CG1-O 3.3Å
319L72Confident77.8Confident34 Ų3461 Ų6118%0.17836%0.358CS..  trans-133.2130.7-175.1-66.5171.6000112.6Y307 D317 E360Y307-L319 HydrophobicContact CD1-CB 4.28Å; Y307-L319 HydrophobicContact CD1-CD2 4.21Å; Y307-L319 HydrophobicContact CE1-CB 4.16Å; Y307-L319 HydrophobicContact CE1-CD1 3.94Å; Y307-L319 HydrophobicContact CE1-CD2 4.3Å; Y307-L319 HydrophobicContact CE1-CG 4.39Å; D317-L319 PolarHBondContact O-N 3.32Å; L319-E360 WeakPolarHBondContact CD1-O 3.44Å
320H88.7Confident78.3Confident28 Ų2858.2 Ų58.213%0.1334%0.338CS..EExtended strand (participates in β ladder)trans-112.8137.1173.5-74.3-119.9000110.4N268 Y307 T308 N310 S315N268-H320 PolarHBondContact ND2-ND1 3.02Å; N268-H320 WeakPolarHBondContact OD1-CA 3.05Å; Y307-H320 CarbonylContact C-O 3.49Å; Y307-H320 WeakPolarHBondContact CA-O 3.26Å; T308-H320 PolarHBondContact N-O 3.21Å; T308-H320 WeakPolarHBondContact OG1-CB 3.35Å; T308-H320 PolarHBondContact OG1-O 3.3Å; N310-H320 PolarHBondContact OD1-NE2 2.99Å; S315-H320 PolarHBondContact OG-NE2 2.99Å; S315-H320 VanDerWaalsContact OG-NE2 3.14Å
321F93.5Very high79.4Confident8 Ų855.6 Ų55.64%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-86.1143.2171.1-65.9-79000110.9N268 F271 P302 P303 F306 Y307 P327N268-F321 PolarHBondContact OD1-N 3.18Å; F271-F321 VanDerWaalsContact C-CE2 3.45Å; F271-F321 HydrophobicContact CB-CD1 4.42Å; F271-F321 HydrophobicContact CB-CD2 3.59Å; F271-F321 HydrophobicContact CB-CE2 3.7Å; F271-F321 HydrophobicContact CB-CG 3.97Å; F271-F321 HydrophobicContact CB-CZ 4.16Å; P302-F321 HydrophobicContact CB-CZ 4.14Å; P303-F321 HydrophobicContact CB-CE1 3.94Å; P303-F321 HydrophobicContact CG-CE1 4.14Å; P303-F321 HydrophobicContact CG-CZ 4.36Å; F306-F321 CarbonylContact O-C 3.57Å; F306-F321 VanDerWaalsContact O-CA 3.3Å; F306-F321 WeakPolarHBondContact O-CA 3.34Å; Y307-F321 HydrophobicContact CD1-CD1 4.28Å; Y307-F321 HydrophobicContact CD1-CE1 4.17Å; Y307-F321 HydrophobicContact CE1-CD1 4.17Å; Y307-F321 AromaticContact CE1-CE1 3.6Å; Y307-F321 HydrophobicContact CE1-CE1 3.6Å; Y307-F321 AromaticContact CE1-CZ 3.95Å; Y307-F321 HydrophobicContact CE1-CZ 3.95Å; Y307-F321 AromaticContact CZ-CE1 3.91Å; F321-P327 HydrophobicContact CB-CG 3.83Å; F321-P327 HydrophobicContact CD1-CB 3.82Å; F321-P327 HydrophobicContact CD1-CG 3.92Å; F321-P327 HydrophobicContact CE1-CB 4.34Å; F321-P327 HydrophobicContact CG-CB 4.37Å; F321-P327 HydrophobicContact CG-CG 4.02Å
322S93.4Very high80.9Confident7 Ų750.3 Ų50.35%0.04929%0.287CS..  trans-63.9138.4174.2-1780000110.9H267 F306 T324H267-S322 PolarHBondContact CE1-O 2.79Å; H267-S322 PolarHBondContact NE2-O 3.45Å; F306-S322 PolarHBondContact O-N 3.12Å; S322-T324 VanDerWaalsContact C-N 3.34Å; S322-T324 PolarHBondContact OG-N 3.24Å
323T94.9Very high82.6Confident56 Ų5645.8 Ų45.834%0.34426%0.263SS..SBendtrans-9410.517455.60000112.7E260 F261 N262E260-T323 CarbonylContact C-O 3.49Å; E260-T323 WeakPolarHBondContact CA-O 3.31Å; F261-T323 CarbonylContact C-O 3.54Å; F261-T323 PolarHBondContact N-O 2.89Å; N262-T323 HydrophobicContact CB-CG2 4.28Å; N262-T323 WeakPolarHBondContact OD1-CG2 3.28Å
324T93.4Very high84.7Confident63 Ų6340.5 Ų40.539%0.38722%0.219SC..SBendtrans-88.5-36.8177.9-56.80000112.1N259 E260 S322N259-T324 CarbonylContact C-O 3.54Å; N259-T324 WeakPolarHBondContact O-CG2 3.19Å; E260-T324 PolarHBondContact N-O 3Å; S322-T324 VanDerWaalsContact C-N 3.34Å; S322-T324 PolarHBondContact OG-N 3.24Å
325N92.1Very high87Confident56 Ų5631.5 Ų31.530%0.29918%0.177SC..SBendtrans-134.5157.1-174.9-71.7-65.7000110.3F306 P327F306-N325 HydrophobicContact CD2-CB 3.35Å; F306-N325 HydrophobicContact CE2-CB 3.34Å; F306-N325 HydrophobicContact CG-CB 4.3Å; F306-N325 HydrophobicContact CZ-CB 4.31Å; N325-P327 VanDerWaalsContact O-CD 3.31Å; N325-P327 WeakPolarHBondContact O-CD 3.11Å
326S93.9Very high89Confident5 Ų530 Ų304%0.03517%0.166CC..  trans-65126.4175.2-178.90000111.4I217 F261 R330I217-S326 WeakPolarHBondContact CD1-OG 3.12Å; F261-S326 VanDerWaalsContact CD1-CA 3.41Å; F261-S326 WeakPolarHBondContact CZ-OG 3.45Å; S326-R330 VanDerWaalsContact O-CZ 3.27Å; S326-R330 PolarHBondContact O-NH1 3.11Å; S326-R330 PolarHBondContact O-NH2 3.18Å
327P95.4Very high90.9Very high0 Ų025.6 Ų25.60%014%0.14CC..  trans-60.3146.2167.8-24.936.8000111.6F271 P303 D305 F321 N325F271-P327 HydrophobicContact CB-CB 4.26Å; F271-P327 HydrophobicContact CB-CG 4.23Å; F271-P327 HydrophobicContact CD1-CB 3.8Å; F271-P327 HydrophobicContact CD1-CG 3.95Å; F271-P327 HydrophobicContact CD2-CG 3.86Å; F271-P327 HydrophobicContact CE1-CB 4.4Å; F271-P327 HydrophobicContact CE1-CG 4.38Å; F271-P327 HydrophobicContact CE2-CG 4.31Å; F271-P327 HydrophobicContact CG-CB 3.94Å; F271-P327 HydrophobicContact CG-CG 3.72Å; P303-P327 HydrophobicContact CB-CB 3.94Å; P303-P327 HydrophobicContact CG-CB 4.12Å; D305-P327 CarbonylContact O-C 3.59Å; D305-P327 WeakPolarHBondContact O-CA 3.41Å; F321-P327 HydrophobicContact CB-CG 3.83Å; F321-P327 HydrophobicContact CD1-CB 3.82Å; F321-P327 HydrophobicContact CD1-CG 3.92Å; F321-P327 HydrophobicContact CE1-CB 4.34Å; F321-P327 HydrophobicContact CG-CB 4.37Å; F321-P327 HydrophobicContact CG-CG 4.02Å; N325-P327 VanDerWaalsContact O-CD 3.31Å; N325-P327 WeakPolarHBondContact O-CD 3.11Å
328G95.6Very high92.6Very high0 Ų025.4 Ų25.40%013%0.132CC..BIsolated β-bridgetrans-165.2173.8-18000000113.9P303 T304 D305P303-G328 CarbonylContact C-O 3.56Å; P303-G328 WeakPolarHBondContact CA-O 3.32Å; P303-G328 WeakPolarHBondContact CB-O 3.4Å; T304-G328 PolarHBondContact N-O 2.66Å; T304-G328 PolarHBondContact OG1-O 3.35Å; D305-G328 PolarHBondContact N-O 3.4Å; D305-G328 PolarHBondContact O-N 3.33Å
329W97Very high94.1Very high1 Ų121.1 Ų21.10%0.00411%0.106CC..  trans-98.482.1174.4-63.3-89.8000108.9I217 I279 R280 D283 V299 F301 P302 P303 R332I217-W329 HydrophobicContact CG2-CE3 4.46Å; I217-W329 HydrophobicContact CG2-CZ3 4.22Å; I279-W329 HydrophobicContact CD1-CH2 3.39Å; I279-W329 HydrophobicContact CD1-CZ3 3.47Å; I279-W329 VanDerWaalsContact CD1-CZ3 3.47Å; I279-W329 HydrophobicContact CG1-CH2 4.25Å; R280-W329 HydrophobicContact CB-CH2 4.02Å; R280-W329 HydrophobicContact CG-CH2 4.43Å; D283-W329 HydrophobicContact CB-CE3 3.61Å; D283-W329 HydrophobicContact CB-CZ3 3.65Å; V299-W329 HydrophobicContact CG1-CD2 4.47Å; V299-W329 HydrophobicContact CG1-CG 4.31Å; V299-W329 VanDerWaalsContact CG1-NE1 3.31Å; F301-W329 AromaticContact CD2-CD1 3.86Å; F301-W329 AromaticContact CD2-NE1 3.92Å; F301-W329 AromaticContact CE2-CD1 3.54Å; F301-W329 PolarHBondContact O-NE1 3.17Å; P302-W329 VanDerWaalsContact C-NE1 3.31Å; P302-W329 PolarHBondContact O-NE1 3.38Å; P303-W329 HydrophobicContact CG-CH2 4.27Å; P303-W329 HydrophobicContact CG-CZ2 4.06Å; W329-R332 PolarHBondContact O-NE 3.06Å; W329-R332 PolarHBondContact O-NH2 2.92Å
330R97Very high95.1Very high17 Ų1724.3 Ų24.36%0.06412%0.116CC..  trans-92.4-34.6-172.1-64.1-173.2174.274.62.3112.8Y212 F213 N214 T304 D305 S326Y212-R330 CarbonylContact C-O 3.57Å; Y212-R330 HydrophobicContact CD2-CB 3.96Å; Y212-R330 HydrophobicContact CE2-CB 3.31Å; Y212-R330 HydrophobicContact CE2-CG 4.4Å; Y212-R330 WeakPolarHBondContact OH-CD 3.39Å; F213-R330 PolarHBondContact N-O 2.8Å; N214-R330 PolarHBondContact N-O 3.34Å; N214-R330 VanDerWaalsContact N-O 3.13Å; T304-R330 PolarHBondContact OG1-N 3.14Å; D305-R330 WeakPolarHBondContact OD1-CD 3.03Å; D305-R330 VanDerWaalsContact OD1-CG 3.28Å; D305-R330 WeakPolarHBondContact OD1-CG 3.31Å; D305-R330 IonicContact OD1-CZ 3.76Å; D305-R330 IonicContact OD1-NE 3.92Å; D305-R330 IonicContact OD1-NH1 2.81Å; D305-R330 PolarHBondContact OD1-NH1 3.11Å; D305-R330 WeakPolarHBondContact OD2-CB 3.28Å; S326-R330 VanDerWaalsContact O-CZ 3.27Å; S326-R330 PolarHBondContact O-NH1 3.11Å; S326-R330 PolarHBondContact O-NH2 3.18Å
331S97.8Very high95.3Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-83.3129.9166-64.80000109G211 T304 V370G211-S331 WeakPolarHBondContact O-CA 3.43Å; T304-S331 PolarHBondContact OG1-N 3.13Å; S331-V370 WeakPolarHBondContact O-CG2 3.47Å
332R98.3Very high95.3Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-142.9157.1179.4-58.6-177-174.8-111.40.6111.7A210 G211 F213 D283 E296 W329 V334A210-R332 WeakPolarHBondContact CA-O 3.1Å; G211-R332 PolarHBondContact N-O 3.42Å; G211-R332 PolarHBondContact O-N 2.88Å; G211-R332 VanDerWaalsContact O-N 3.1Å; F213-R332 HydrophobicContact CD2-CB 3.66Å; F213-R332 HydrophobicContact CD2-CG 4.32Å; F213-R332 HydrophobicContact CE2-CB 3.94Å; F213-R332 HydrophobicContact CG-CB 4.4Å; D283-R332 IonicContact OD1-CZ 2.92Å; D283-R332 IonicContact OD1-NH1 3.98Å; D283-R332 IonicContact OD1-NH2 2.66Å; D283-R332 PolarHBondContact OD1-NH2 2.96Å; D283-R332 IonicContact OD2-CZ 3.58Å; D283-R332 IonicContact OD2-NH1 3.03Å; D283-R332 PolarHBondContact OD2-NH1 2.93Å; D283-R332 IonicContact OD2-NH2 3.33Å; D283-R332 PolarHBondContact OD2-NH2 2.89Å; E296-R332 WeakPolarHBondContact OE1-CD 3.17Å; E296-R332 IonicContact OE1-CZ 3.69Å; E296-R332 IonicContact OE1-NH1 3.86Å; E296-R332 PolarHBondContact OE1-NH1 2.68Å; E296-R332 VanDerWaalsContact OE1-NH1 3.15Å; E296-R332 IonicContact OE2-NH1 2.84Å; E296-R332 PolarHBondContact OE2-NH1 3.25Å; W329-R332 PolarHBondContact O-NE 3.06Å; W329-R332 PolarHBondContact O-NH2 2.92Å; R332-V334 HydrophobicContact CB-CG1 4.46Å
333I98.7Very high95.3Very high0 Ų028.9 Ų28.90%014%0.136CC..EExtended strand (participates in β ladder)trans-129.8118.6170.5-52.8177.1000107.9F11 I208 F209 A210 Y355 V370 L372F11-I333 HydrophobicContact CB-CD1 4.15Å; F11-I333 HydrophobicContact CB-CG2 4.38Å; F11-I333 WeakPolarHBondContact O-CD1 3.19Å; I208-I333 HydrophobicContact CG2-CG2 3.65Å; F209-I333 WeakPolarHBondContact O-CA 3.29Å; A210-I333 HydrophobicContact CB-CG1 4.06Å; A210-I333 HydrophobicContact CB-CG2 4.38Å; I333-Y355 HydrophobicContact CB-CE2 3.95Å; I333-Y355 HydrophobicContact CG1-CE2 4.44Å; I333-Y355 PolarHBondContact N-OH 3.27Å; I333-Y355 VanDerWaalsContact N-OH 3.07Å; I333-Y355 PolarHBondContact O-OH 3.42Å; I333-V370 HydrophobicContact CD1-CG1 4.19Å; I333-V370 HydrophobicContact CG1-CG1 4.13Å; I333-L372 HydrophobicContact CB-CB 4.13Å; I333-L372 HydrophobicContact CD1-CB 3.87Å; I333-L372 HydrophobicContact CG2-CB 3.87Å; I333-L372 HydrophobicContact CG2-CD2 3.66Å; I333-L372 HydrophobicContact CG2-CG 4.4Å
334V98.2Very high94.8Very high0 Ų029.3 Ų29.30%013%0.134CC..EExtended strand (participates in β ladder)trans-133.1160.9-177.7-54.90000109.9F209 F213 M286 L294 F295 E296 R332F209-V334 HydrophobicContact CB-CG2 3.77Å; F209-V334 PolarHBondContact N-O 2.89Å; F209-V334 PolarHBondContact O-N 2.97Å; F213-V334 HydrophobicContact CZ-CG2 3.83Å; M286-V334 HydrophobicContact CE-CB 4.17Å; M286-V334 HydrophobicContact CE-CG1 3.77Å; M286-V334 HydrophobicContact CE-CG2 3.84Å; M286-V334 HydrophobicContact SD-CG1 4.1Å; L294-V334 HydrophobicContact CB-CG2 4.21Å; L294-V334 HydrophobicContact CD1-CG2 3.81Å; F295-V334 WeakPolarHBondContact O-CA 3.45Å; F295-V334 WeakPolarHBondContact O-CB 3.25Å; E296-V334 HydrophobicContact CB-CG1 3.64Å; E296-V334 HydrophobicContact CG-CG1 3.83Å; R332-V334 HydrophobicContact CB-CG1 4.46Å
335M97.6Very high94.1Very high4 Ų432.9 Ų32.92%0.0215%0.146CC..EExtended strand (participates in β ladder)trans-138.9159.3-171.565.7-163.98100112.2M207 L294 F295 P297 L339 R340 I343 L372M207-M335 WeakPolarHBondContact O-CA 3.32Å; L294-M335 CarbonylContact C-O 3.53Å; L294-M335 WeakPolarHBondContact CA-O 3.41Å; F295-M335 HydrophobicContact CB-CG 4.38Å; F295-M335 PolarHBondContact N-O 3.41Å; F295-M335 PolarHBondContact O-N 3.05Å; P297-M335 HydrophobicContact CG-CE 3.58Å; M335-L339 HydrophobicContact CB-CB 4.23Å; M335-L339 HydrophobicContact CB-CD2 3.86Å; M335-L339 HydrophobicContact CB-CG 4.25Å; M335-L339 HydrophobicContact SD-CD2 4.47Å; M335-L339 HydrophobicContact SD-CG 4.24Å; M335-R340 HydrophobicContact CG-CB 4.24Å; M335-R340 HydrophobicContact SD-CB 4.11Å; M335-I343 HydrophobicContact CE-CD1 3.95Å; M335-I343 HydrophobicContact SD-CD1 3.36Å; M335-I343 WeakPolarHBondContact SD-CD1 3.36Å; M335-L372 HydrophobicContact CE-CD1 4.41Å; M335-L372 HydrophobicContact CE-CD2 3.58Å
336N96.4Very high92.9Very high2 Ų233.3 Ų33.31%0.01115%0.149CC..  trans-77.8168.5170.269.2-17.1000111.9M202 D205 M207 L294 R338 L339 R340M202-N336 PolarHBondContact O-ND2 3.11Å; D205-N336 PolarHBondContact O-ND2 3.25Å; M207-N336 HydrophobicContact CB-CB 4.4Å; M207-N336 PolarHBondContact N-OD1 2.69Å; M207-N336 PolarHBondContact O-N 3.29Å; M207-N336 PolarHBondContact O-OD1 3.26Å; L294-N336 HydrophobicContact CD2-CB 4.39Å; N336-R338 PolarHBondContact O-N 3.22Å; N336-L339 PolarHBondContact O-N 2.9Å; N336-L339 WeakPolarHBondContact OD1-CB 3.4Å; N336-L339 PolarHBondContact OD1-N 2.91Å; N336-L339 VanDerWaalsContact OD1-N 3.15Å; N336-R340 PolarHBondContact O-N 2.79Å; N336-R340 VanDerWaalsContact O-N 3.14Å
337E94.1Very high91.2Very high70 Ų7038.6 Ų38.633%0.32719%0.186SC..Hα-helixtrans-58.4-37.4179.5-172.763.217800111.8F295 L339 R340 E341F295-E337 HydrophobicContact CD2-CB 4.38Å; F295-E337 WeakPolarHBondContact CD2-OE2 3.22Å; F295-E337 HydrophobicContact CE2-CB 3.7Å; F295-E337 HydrophobicContact CE2-CG 4.39Å; F295-E337 WeakPolarHBondContact CE2-OE2 3.17Å; F295-E337 HydrophobicContact CZ-CB 4.38Å; F295-E337 WeakPolarHBondContact CZ-OE2 3.09Å; E337-L339 PolarHBondContact O-N 3.29Å; E337-R340 VanDerWaalsContact CD-NH1 3.27Å; E337-R340 WeakPolarHBondContact O-CB 3.08Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 VanDerWaalsContact O-N 3.11Å; E337-R340 IonicContact OE1-NH1 3.59Å; E337-R340 PolarHBondContact OE1-NH1 3.37Å; E337-R340 WeakPolarHBondContact OE2-CD 3.34Å; E337-R340 IonicContact OE2-CZ 2.8Å; E337-R340 IonicContact OE2-NH1 3.96Å; E337-R340 PolarHBondContact OE2-NH1 3.41Å; E337-E341 HydrophobicContact CG-CG 4.29Å; E337-E341 WeakPolarHBondContact O-CG 3.31Å; E337-E341 PolarHBondContact O-N 2.88Å
338R92.9Very high89.1Confident92 Ų9247.8 Ų47.835%0.34723%0.226SC..Hα-helixtrans-59.3-44.3-178.1-173.560.1172.4151.8-2.2112.9N336 R342N336-R338 PolarHBondContact O-N 3.22Å; R338-R342 WeakPolarHBondContact O-CG 3.37Å
339L95.4Very high87Confident1 Ų149.4 Ų49.41%0.00524%0.237CC..Hα-helixtrans-71.2-41.317517655.8000110.9F159 I208 M335 N336 E337 E341 R342 I343 I376F159-L339 HydrophobicContact CE1-CD1 4.14Å; I208-L339 HydrophobicContact CD1-CD2 3.62Å; I208-L339 HydrophobicContact CG1-CD2 3.19Å; M335-L339 HydrophobicContact CB-CB 4.23Å; M335-L339 HydrophobicContact CB-CD2 3.86Å; M335-L339 HydrophobicContact CB-CG 4.25Å; M335-L339 HydrophobicContact SD-CD2 4.47Å; M335-L339 HydrophobicContact SD-CG 4.24Å; N336-L339 PolarHBondContact O-N 2.9Å; N336-L339 WeakPolarHBondContact OD1-CB 3.4Å; N336-L339 PolarHBondContact OD1-N 2.91Å; N336-L339 VanDerWaalsContact OD1-N 3.15Å; E337-L339 PolarHBondContact O-N 3.29Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 3.15Å; L339-R342 WeakPolarHBondContact O-CB 3.45Å; L339-R342 PolarHBondContact O-N 3.21Å; L339-I343 PolarHBondContact O-N 3.12Å; L339-I376 HydrophobicContact CD1-CD1 3.85Å; L339-I376 HydrophobicContact CD1-CG1 4.14Å; L339-I376 HydrophobicContact CD1-CG2 4Å
340R93.9Very high85.2Confident101 Ų10154.6 Ų54.638%0.38127%0.274SS..Hα-helixtrans-55.1-44.8179.1177.9173.9166.6-109.1-8.6112M335 N336 E337 R342 I343M335-R340 HydrophobicContact CG-CB 4.24Å; M335-R340 HydrophobicContact SD-CB 4.11Å; N336-R340 PolarHBondContact O-N 2.79Å; N336-R340 VanDerWaalsContact O-N 3.14Å; E337-R340 VanDerWaalsContact CD-NH1 3.27Å; E337-R340 WeakPolarHBondContact O-CB 3.08Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 VanDerWaalsContact O-N 3.11Å; E337-R340 IonicContact OE1-NH1 3.59Å; E337-R340 PolarHBondContact OE1-NH1 3.37Å; E337-R340 WeakPolarHBondContact OE2-CD 3.34Å; E337-R340 IonicContact OE2-CZ 2.8Å; E337-R340 IonicContact OE2-NH1 3.96Å; E337-R340 PolarHBondContact OE2-NH1 3.41Å; R340-R342 PolarHBondContact O-N 2.75Å; R340-I343 PolarHBondContact O-N 2.99Å
341E92Very high83.9Confident120 Ų12057.1 Ų57.156%0.56129%0.294SS*.Hα-helixtrans-63-24.3176.9-71.6179.6159.200113.9E337 L339E337-E341 HydrophobicContact CG-CG 4.29Å; E337-E341 WeakPolarHBondContact O-CG 3.31Å; E337-E341 PolarHBondContact O-N 2.88Å; L339-E341 VanDerWaalsContact C-N 3.3Å; L339-E341 PolarHBondContact O-N 3.15Å
342R92.9Very high83.3Confident13 Ų1357.5 Ų57.55%0.04930%0.297CS..Hα-helixtrans-87.9-13-179.9-66.7175.7175-149.8-10.5113S206 R338 L339 R340 Q344 I376 W377S206-R342 WeakPolarHBondContact OG-CD 3.47Å; S206-R342 PolarHBondContact OG-NH1 3.2Å; R338-R342 WeakPolarHBondContact O-CG 3.37Å; L339-R342 WeakPolarHBondContact O-CB 3.45Å; L339-R342 PolarHBondContact O-N 3.21Å; R340-R342 PolarHBondContact O-N 2.75Å; R342-Q344 PolarHBondContact O-N 3.32Å; R342-I376 HydrophobicContact CB-CG2 3.93Å; R342-W377 HydrophobicContact CB-CB 4.4Å; R342-W377 HydrophobicContact CG-CE3 4.24Å; R342-W377 WeakPolarHBondContact O-CB 3.23Å; R342-W377 PolarHBondContact O-N 3.21Å
343I93Very high83Confident6 Ų660 Ų603%0.03131%0.31CS..BIsolated β-bridgetrans-69.7129.3177.4-67.6171.9000108.4M335 L339 R340 H345 L353 A374 I376M335-I343 HydrophobicContact CE-CD1 3.95Å; M335-I343 HydrophobicContact SD-CD1 3.36Å; M335-I343 WeakPolarHBondContact SD-CD1 3.36Å; L339-I343 PolarHBondContact O-N 3.12Å; R340-I343 PolarHBondContact O-N 2.99Å; I343-H345 PolarHBondContact O-CD2 2.95Å; I343-H345 PolarHBondContact O-N 2.68Å; I343-L353 HydrophobicContact CD1-CD1 3.94Å; I343-L353 HydrophobicContact CD1-CD2 4.46Å; I343-L353 HydrophobicContact CG2-CB 4.07Å; I343-L353 HydrophobicContact CG2-CD1 4.22Å; I343-L353 HydrophobicContact CG2-CD2 4.36Å; I343-L353 HydrophobicContact CG2-CG 4.45Å; I343-A374 HydrophobicContact CD1-CB 4.44Å; I343-A374 HydrophobicContact CG1-CB 4.36Å; I343-I376 HydrophobicContact CG1-CG1 4.39Å
344Q86.2Confident82.8Confident65 Ų6564 Ų6430%0.30433%0.326SS..  trans-62121.8176.8-172.2179.416.700109.3Y6 R342 S352 T375Y6-Q344 HydrophobicContact CD1-CB 3.95Å; Y6-Q344 HydrophobicContact CD1-CG 4.33Å; Y6-Q344 HydrophobicContact CE1-CB 3.72Å; Y6-Q344 HydrophobicContact CE1-CG 3.89Å; R342-Q344 PolarHBondContact O-N 3.32Å; Q344-S352 WeakPolarHBondContact O-CB 3.29Å; Q344-S352 PolarHBondContact O-OG 2.88Å; Q344-T375 HydrophobicContact CB-CG2 4.31Å; Q344-T375 WeakPolarHBondContact CB-O 3.28Å; Q344-T375 PolarHBondContact N-O 3.16Å
345H77.9Confident82.7Confident137 Ų13764.8 Ų64.863%0.63433%0.329SS*.  trans-97.399.2169.7-65.6-66.5000108.1I343I343-H345 PolarHBondContact O-CD2 2.95Å; I343-H345 PolarHBondContact O-N 2.68Å
346D66.2Low82.7Confident66 Ų6664.6 Ų64.635%0.35333%0.328SS..  trans-93.9110.8169.3-170.49.7000108.5F348 S349D346-F348 PolarHBondContact O-N 3.12Å; D346-F348 PolarHBondContact OD1-N 3.45Å; D346-S349 PolarHBondContact O-N 3.31Å; D346-S349 PolarHBondContact OD2-OG 2.79Å
347S58.6Low82.7Confident116 Ų11664.6 Ų64.681%0.81133%0.328SS*.THydrogen-bonded Turntrans-56.8-19.2179.6-51.90000112.8
348F50.8Low82.8Confident192 Ų19261.2 Ų61.284%0.84231%0.312SS*.THydrogen-bonded Turntrans-107.8-10.8-173.6-66.4-79.5000114.6D346D346-F348 PolarHBondContact O-N 3.12Å; D346-F348 PolarHBondContact OD1-N 3.45Å
349S51.8Low82.9Confident34 Ų3457.5 Ų57.524%0.23830%0.303CS..  trans-141.1123.6177.776.50000112.1D346 S351D346-S349 PolarHBondContact O-N 3.31Å; D346-S349 PolarHBondContact OD2-OG 2.79Å; S349-S351 PolarHBondContact O-N 3.22Å; S349-S351 PolarHBondContact OG-OG 2.91Å
350S58.6Low82.5Confident111 Ų11160.5 Ų60.578%0.77632%0.317SS*.G310 helixtrans-62.53.6163.5500000112.8S352S350-S352 VanDerWaalsContact C-N 3.25Å; S350-S352 PolarHBondContact O-N 3.23Å
351S70.5Confident82.1Confident69 Ų6959.3 Ų59.348%0.48332%0.322SS..G310 helixtrans-67.9-27.2-175.775.80000112.1R8 S349R8-S351 VanDerWaalsContact CZ-O 3.26Å; R8-S351 PolarHBondContact NH1-O 3.02Å; R8-S351 PolarHBondContact NH2-O 2.76Å; S349-S351 PolarHBondContact O-N 3.22Å; S349-S351 PolarHBondContact OG-OG 2.91Å
352S84.8Confident81.9Confident9 Ų957.9 Ų57.96%0.06332%0.318CS..G310 helixtrans-76.6-25.5-172.965.40000114.4Q344 S350 A374 T375Q344-S352 WeakPolarHBondContact O-CB 3.29Å; Q344-S352 PolarHBondContact O-OG 2.88Å; S350-S352 VanDerWaalsContact C-N 3.25Å; S350-S352 PolarHBondContact O-N 3.23Å; S352-A374 CarbonylContact O-C 3.52Å; S352-A374 WeakPolarHBondContact O-CA 3.13Å; S352-T375 PolarHBondContact O-N 2.97Å
353L92.6Very high81.9Confident52 Ų5259.6 Ų59.627%0.27233%0.325SS..EExtended strand (participates in β ladder)trans-142.2115.5177.5-174.564000110P297 I343 L372 I373 A374P297-L353 HydrophobicContact CB-CD2 4.27Å; P297-L353 HydrophobicContact CG-CD2 4.43Å; I343-L353 HydrophobicContact CD1-CD1 3.94Å; I343-L353 HydrophobicContact CD1-CD2 4.46Å; I343-L353 HydrophobicContact CG2-CB 4.07Å; I343-L353 HydrophobicContact CG2-CD1 4.22Å; I343-L353 HydrophobicContact CG2-CD2 4.36Å; I343-L353 HydrophobicContact CG2-CG 4.45Å; L353-L372 HydrophobicContact CD1-CD1 3.6Å; L353-L372 HydrophobicContact CD1-CG 4.38Å; L353-L372 HydrophobicContact CG-CD1 4.5Å; L353-I373 CarbonylContact C-O 3.49Å; L353-I373 WeakPolarHBondContact CA-O 3.44Å; L353-A374 HydrophobicContact CD1-CB 3.95Å
354Y94.5Very high81.9Confident84 Ų8459.4 Ų59.433%0.32932%0.324SS..EExtended strand (participates in β ladder)trans-121132.1172.3170-98.3000109.5T371 L372 I373Y354-T371 HydrophobicContact CD1-CG2 4.13Å; Y354-T371 HydrophobicContact CE1-CG2 3.57Å; Y354-L372 CarbonylContact O-C 3.48Å; Y354-L372 WeakPolarHBondContact O-CA 3.45Å; Y354-I373 HydrophobicContact CD1-CB 4.44Å; Y354-I373 HydrophobicContact CD1-CD1 3.63Å; Y354-I373 HydrophobicContact CD1-CG1 4.03Å; Y354-I373 HydrophobicContact CE1-CD1 4.23Å; Y354-I373 PolarHBondContact N-O 2.72Å; Y354-I373 PolarHBondContact O-N 2.98Å
355Y96.8Very high82.3Confident16 Ų1656.3 Ų56.36%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-130.7117.7176-173.3-141.9000108E296 P297 V299 F301 I333 V370 T371 L372E296-Y355 HydrophobicContact CG-CE1 3.66Å; E296-Y355 PolarHBondContact OE1-OH 3.47Å; P297-Y355 HydrophobicContact CB-CD1 3.7Å; P297-Y355 HydrophobicContact CB-CE1 4.49Å; P297-Y355 HydrophobicContact CB-CG 4.02Å; P297-Y355 HydrophobicContact CG-CD1 4.11Å; P297-Y355 HydrophobicContact CG-CG 4.23Å; V299-Y355 HydrophobicContact CG2-CD1 4.14Å; V299-Y355 HydrophobicContact CG2-CE1 3.61Å; F301-Y355 VanDerWaalsContact CD1-O 3.31Å; F301-Y355 WeakPolarHBondContact CD1-O 3.43Å; F301-Y355 AromaticContact CE1-CD1 3.6Å; F301-Y355 HydrophobicContact CE1-CD1 3.6Å; F301-Y355 HydrophobicContact CE1-CD2 4.12Å; F301-Y355 AromaticContact CE1-CE1 3.76Å; F301-Y355 HydrophobicContact CE1-CE1 3.76Å; F301-Y355 HydrophobicContact CE1-CE2 4.25Å; F301-Y355 AromaticContact CE1-CG 3.78Å; F301-Y355 HydrophobicContact CE1-CG 3.78Å; F301-Y355 HydrophobicContact CZ-CD1 4.16Å; F301-Y355 HydrophobicContact CZ-CD2 4.44Å; F301-Y355 AromaticContact CZ-CE1 3.83Å; F301-Y355 HydrophobicContact CZ-CE1 3.83Å; F301-Y355 HydrophobicContact CZ-CE2 4.13Å; F301-Y355 HydrophobicContact CZ-CG 4.45Å; F301-Y355 AromaticContact CZ-CZ 3.8Å; I333-Y355 HydrophobicContact CB-CE2 3.95Å; I333-Y355 HydrophobicContact CG1-CE2 4.44Å; I333-Y355 PolarHBondContact N-OH 3.27Å; I333-Y355 VanDerWaalsContact N-OH 3.07Å; I333-Y355 PolarHBondContact O-OH 3.42Å; Y355-V370 HydrophobicContact CD2-CG1 3.97Å; Y355-V370 HydrophobicContact CE2-CG1 3.26Å; Y355-T371 WeakPolarHBondContact CA-O 3.36Å; Y355-T371 WeakPolarHBondContact CD2-O 3.25Å; Y355-L372 HydrophobicContact CD2-CB 4.18Å; Y355-L372 HydrophobicContact CD2-CD1 3.95Å; Y355-L372 HydrophobicContact CG-CD1 4.16Å
356G96.6Very high83.1Confident1 Ų152 Ų521%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-159.1-175.2-164.600000113.9F301 V370 T371F301-G356 VanDerWaalsContact CD1-CA 3.4Å; G356-V370 CarbonylContact O-C 3.47Å; G356-V370 WeakPolarHBondContact O-CA 3.28Å; G356-V370 WeakPolarHBondContact O-CG1 3.33Å; G356-T371 PolarHBondContact N-O 3.4Å; G356-T371 PolarHBondContact O-N 3.19Å
357I96.5Very high84.6Confident1 Ų148.9 Ų48.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-107143.617052.5168.3000110.4F301 P302 T304 E360 K368 P369 V370F301-I357 HydrophobicContact CB-CG1 4.18Å; F301-I357 HydrophobicContact CB-CG2 4.36Å; F301-I357 HydrophobicContact CD2-CG2 3.49Å; F301-I357 VanDerWaalsContact CD2-CG2 3.49Å; F301-I357 HydrophobicContact CE2-CG2 3.97Å; F301-I357 HydrophobicContact CG-CG2 4.15Å; P302-I357 HydrophobicContact CG-CD1 3.66Å; T304-I357 HydrophobicContact CG2-CG2 4.32Å; I357-E360 HydrophobicContact CD1-CB 4.16Å; I357-E360 HydrophobicContact CD1-CG 3.98Å; I357-E360 HydrophobicContact CG1-CB 3.99Å; I357-E360 HydrophobicContact CG1-CG 4.11Å; I357-K368 HydrophobicContact CD1-CD 3.95Å; I357-P369 CarbonylContact C-O 3.57Å; I357-P369 VanDerWaalsContact CA-O 3.31Å; I357-P369 WeakPolarHBondContact CA-O 3.26Å; I357-V370 HydrophobicContact CG2-CG2 4.15Å
358V97.2Very high86.3Confident0 Ų043.4 Ų43.40%023%0.234CC..THydrogen-bonded Turntrans-77.4137.4176.6-178.10000109.5I12 A33 V34 E37 I364 P369 T371I12-V358 HydrophobicContact CD1-CG2 4.36Å; A33-V358 HydrophobicContact CB-CG1 3.9Å; V34-V358 HydrophobicContact CG2-CG1 4.05Å; E37-V358 HydrophobicContact CB-CG1 4.17Å; E37-V358 HydrophobicContact CB-CG2 4.45Å; E37-V358 HydrophobicContact CG-CG2 4.09Å; V358-I364 WeakPolarHBondContact O-CD1 3.29Å; V358-P369 HydrophobicContact CB-CB 3.93Å; V358-P369 HydrophobicContact CB-CG 4.16Å; V358-P369 HydrophobicContact CG2-CB 3.81Å; V358-P369 PolarHBondContact N-O 2.99Å; V358-T371 HydrophobicContact CG2-CG2 4.06Å
359G93.5Very high88.6Confident14 Ų1434.2 Ų34.214%0.14419%0.194CC..THydrogen-bonded Turntrans61.943.618000000112.2P361 D362 K368G359-P361 VanDerWaalsContact C-CD 3.46Å; G359-D362 PolarHBondContact O-N 3.32Å; G359-D362 VanDerWaalsContact O-O 3.09Å; G359-K368 PolarHBondContact O-NZ 2.88Å
360E88Confident90.8Very high64 Ų6432.6 Ų32.630%0.29918%0.183SC..SBendtrans-47.3-48.9-178.2-175.8165.3-169.100114.2N275 L319 I357 D362 K368N275-E360 PolarHBondContact ND2-OE1 2.6Å; L319-E360 WeakPolarHBondContact CD1-O 3.44Å; I357-E360 HydrophobicContact CD1-CB 4.16Å; I357-E360 HydrophobicContact CD1-CG 3.98Å; I357-E360 HydrophobicContact CG1-CB 3.99Å; I357-E360 HydrophobicContact CG1-CG 4.11Å; E360-D362 PolarHBondContact O-N 2.81Å; E360-K368 PolarHBondContact O-NZ 2.92Å
361P85.4Confident92.7Very high76 Ų7627.3 Ų27.349%0.49415%0.146SC..SBendtrans-71.7-31.4-176.327.3-33.6000113.4V318 G359V318-P361 WeakPolarHBondContact CG1-O 3.3Å; G359-P361 VanDerWaalsContact C-CD 3.46Å
362D88.4Confident94Very high90 Ų9024.1 Ų24.148%0.48112%0.123SC..SBendtrans-102.3150-165-56.7-55.8000112.4G359 E360 I364 K368G359-D362 PolarHBondContact O-N 3.32Å; G359-D362 VanDerWaalsContact O-O 3.09Å; E360-D362 PolarHBondContact O-N 2.81Å; D362-I364 HydrophobicContact CB-CG2 4.23Å; D362-I364 PolarHBondContact O-N 3.32Å; D362-K368 WeakPolarHBondContact O-CE 3.16Å; D362-K368 PolarHBondContact O-NZ 3.42Å
363Y92.1Very high94.6Very high49 Ų4923.7 Ų23.719%0.19212%0.12CC..  trans-73.9117.6164.6-177-92000109.4E22 T308 P309 E366E22-Y363 PolarHBondContact OE1-OH 2.79Å; T308-Y363 VanDerWaalsContact C-CE2 3.49Å; P309-Y363 HydrophobicContact CB-CD1 4.44Å; P309-Y363 HydrophobicContact CB-CE1 4.45Å; P309-Y363 HydrophobicContact CG-CD1 4.21Å; P309-Y363 HydrophobicContact CG-CE1 3.74Å; P309-Y363 HydrophobicContact CG-CE2 4.22Å; Y363-E366 PolarHBondContact OH-N 2.94Å
364I94.1Very high94.8Very high1 Ų121.2 Ų21.21%0.00511%0.108CC..  trans-124-8.3177.964.2170.1000113.3C26 W30 A33 V358 D362 K368C26-I364 VanDerWaalsContact SG-C 3.58Å; C26-I364 PolarHBondContact SG-O 2.95Å; C26-I364 VanDerWaalsContact SG-O 3.41Å; W30-I364 HydrophobicContact CB-CB 4.4Å; A33-I364 HydrophobicContact CB-CD1 4.24Å; V358-I364 WeakPolarHBondContact O-CD1 3.29Å; D362-I364 HydrophobicContact CB-CG2 4.23Å; D362-I364 PolarHBondContact O-N 3.32Å; I364-K368 HydrophobicContact CG1-CG 4.24Å
365S94.4Very high94.8Very high0 Ų018.2 Ų18.20%010%0.098CC..  trans173.1155.3-179.9164.60000108.7S367S365-S367 VanDerWaalsContact CB-O 3.26Å; S365-S367 WeakPolarHBondContact CB-O 3.46Å; S365-S367 PolarHBondContact O-N 3.24Å; S365-S367 PolarHBondContact OG-N 2.84Å; S365-S367 PolarHBondContact OG-O 2.97Å
366E94.9Very high94.7Very high47 Ų4717.4 Ų17.422%0.2210%0.095CC..SBendtrans-59.5-27.8167.4174176176.200112.9F18 F306 Y307 Y363F18-E366 HydrophobicContact CB-CB 3.99Å; F18-E366 HydrophobicContact CD1-CB 4.13Å; F18-E366 HydrophobicContact CD1-CG 3.95Å; F18-E366 WeakPolarHBondContact CD1-OE2 3.34Å; F18-E366 HydrophobicContact CE1-CG 4.43Å; F18-E366 HydrophobicContact CG-CB 4.15Å; F18-E366 HydrophobicContact CG-CG 4.3Å; F306-E366 CarbonylContact C-O 3.58Å; F306-E366 WeakPolarHBondContact CA-O 3.01Å; F306-E366 HydrophobicContact CB-CG 3.85Å; F306-E366 HydrophobicContact CD1-CG 3.86Å; F306-E366 VanDerWaalsContact CD1-OE1 3.26Å; F306-E366 WeakPolarHBondContact CD1-OE1 3.37Å; F306-E366 HydrophobicContact CG-CG 4.35Å; Y307-E366 PolarHBondContact N-O 2.91Å; Y307-E366 WeakPolarHBondContact O-CA 3.01Å; Y307-E366 WeakPolarHBondContact O-CB 3.36Å; Y307-E366 WeakPolarHBondContact O-CG 3.45Å; Y363-E366 PolarHBondContact OH-N 2.94Å
367S95.9Very high94.5Very high1 Ų121.7 Ų21.71%0.00711%0.111CC..BIsolated β-bridgetrans-119.1118.2169.3-173.10000110.7D305 S365D305-S367 PolarHBondContact OD2-OG 2.89Å; S365-S367 VanDerWaalsContact CB-O 3.26Å; S365-S367 WeakPolarHBondContact CB-O 3.46Å; S365-S367 PolarHBondContact O-N 3.24Å; S365-S367 PolarHBondContact OG-N 2.84Å; S365-S367 PolarHBondContact OG-O 2.97Å
368K96.2Very high94.2Very high0 Ų021.7 Ų21.70%011%0.111CC..PPolyproline II helixtrans-86.9142.8-179.4-70.4-169.3177.4-159.40111.5T304 Y307 I357 G359 E360 D362 I364T304-K368 PolarHBondContact O-N 2.96Å; Y307-K368 HydrophobicContact CD2-CD 4.14Å; Y307-K368 HydrophobicContact CD2-CG 3.83Å; Y307-K368 HydrophobicContact CE2-CB 4.12Å; Y307-K368 HydrophobicContact CE2-CD 3.65Å; Y307-K368 HydrophobicContact CE2-CG 3.64Å; I357-K368 HydrophobicContact CD1-CD 3.95Å; G359-K368 PolarHBondContact O-NZ 2.88Å; E360-K368 PolarHBondContact O-NZ 2.92Å; D362-K368 WeakPolarHBondContact O-CE 3.16Å; D362-K368 PolarHBondContact O-NZ 3.42Å; I364-K368 HydrophobicContact CG1-CG 4.24Å
369P98.2Very high93.4Very high0 Ų026.1 Ų26.10%013%0.13CC..PPolyproline II helixtrans-64.1146.5172.2-1932.4000111.6I12 S13 A14 W30 V34 I357 V358I12-P369 HydrophobicContact CG2-CB 3.84Å; S13-P369 CarbonylContact O-C 3.6Å; S13-P369 VanDerWaalsContact O-CA 3.31Å; S13-P369 WeakPolarHBondContact O-CA 3.25Å; A14-P369 HydrophobicContact CB-CB 3.87Å; A14-P369 HydrophobicContact CB-CG 3.93Å; W30-P369 HydrophobicContact CZ2-CG 3.73Å; W30-P369 VanDerWaalsContact NE1-CG 3.25Å; V34-P369 HydrophobicContact CG2-CG 4.06Å; I357-P369 CarbonylContact C-O 3.57Å; I357-P369 VanDerWaalsContact CA-O 3.31Å; I357-P369 WeakPolarHBondContact CA-O 3.26Å; V358-P369 HydrophobicContact CB-CB 3.93Å; V358-P369 HydrophobicContact CB-CG 4.16Å; V358-P369 HydrophobicContact CG2-CB 3.81Å; V358-P369 PolarHBondContact N-O 2.99Å
370V98.3Very high93.4Very high0 Ų026.8 Ų26.80%013%0.129CC..EExtended strand (participates in β ladder)trans-99.7141.1167.5170.20000108.8I12 S13 F301 T304 S331 I333 Y355 G356 I357I12-V370 CarbonylContact C-O 3.52Å; I12-V370 VanDerWaalsContact CA-O 3.26Å; I12-V370 WeakPolarHBondContact CA-O 3.35Å; S13-V370 PolarHBondContact N-O 2.88Å; S13-V370 PolarHBondContact O-N 2.99Å; F301-V370 HydrophobicContact CE2-CG2 3.99Å; F301-V370 HydrophobicContact CZ-CG1 4.11Å; F301-V370 HydrophobicContact CZ-CG2 4.31Å; T304-V370 HydrophobicContact CG2-CG2 3.25Å; S331-V370 WeakPolarHBondContact O-CG2 3.47Å; I333-V370 HydrophobicContact CD1-CG1 4.19Å; I333-V370 HydrophobicContact CG1-CG1 4.13Å; Y355-V370 HydrophobicContact CD2-CG1 3.97Å; Y355-V370 HydrophobicContact CE2-CG1 3.26Å; G356-V370 CarbonylContact O-C 3.47Å; G356-V370 WeakPolarHBondContact O-CA 3.28Å; G356-V370 WeakPolarHBondContact O-CG1 3.33Å; I357-V370 HydrophobicContact CG2-CG2 4.15Å
371T98.4Very high93.7Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-123.2140.4177.3-174.40000111F11 E37 Y354 Y355 G356 V358F11-T371 CarbonylContact O-C 3.56Å; F11-T371 VanDerWaalsContact O-CA 3.29Å; F11-T371 WeakPolarHBondContact O-CA 3.41Å; E37-T371 HydrophobicContact CG-CG2 4.09Å; Y354-T371 HydrophobicContact CD1-CG2 4.13Å; Y354-T371 HydrophobicContact CE1-CG2 3.57Å; Y355-T371 WeakPolarHBondContact CA-O 3.36Å; Y355-T371 WeakPolarHBondContact CD2-O 3.25Å; G356-T371 PolarHBondContact N-O 3.4Å; G356-T371 PolarHBondContact O-N 3.19Å; V358-T371 HydrophobicContact CG2-CG2 4.06Å
372L98.1Very high94.2Very high1 Ų121.9 Ų21.91%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-122.7117.9168.7-179.871.3000107.7F11 P297 I333 M335 L353 Y354 Y355F11-L372 HydrophobicContact CB-CB 4.34Å; F11-L372 HydrophobicContact CD2-CB 4.23Å; F11-L372 HydrophobicContact CD2-CD2 4Å; F11-L372 HydrophobicContact CD2-CG 4.19Å; F11-L372 WeakPolarHBondContact CD2-O 3.27Å; F11-L372 PolarHBondContact N-O 3.48Å; F11-L372 PolarHBondContact O-N 3.42Å; P297-L372 HydrophobicContact CG-CD1 3.8Å; I333-L372 HydrophobicContact CB-CB 4.13Å; I333-L372 HydrophobicContact CD1-CB 3.87Å; I333-L372 HydrophobicContact CG2-CB 3.87Å; I333-L372 HydrophobicContact CG2-CD2 3.66Å; I333-L372 HydrophobicContact CG2-CG 4.4Å; M335-L372 HydrophobicContact CE-CD1 4.41Å; M335-L372 HydrophobicContact CE-CD2 3.58Å; L353-L372 HydrophobicContact CD1-CD1 3.6Å; L353-L372 HydrophobicContact CD1-CG 4.38Å; L353-L372 HydrophobicContact CG-CD1 4.5Å; Y354-L372 CarbonylContact O-C 3.48Å; Y354-L372 WeakPolarHBondContact O-CA 3.45Å; Y355-L372 HydrophobicContact CD2-CB 4.18Å; Y355-L372 HydrophobicContact CD2-CD1 3.95Å; Y355-L372 HydrophobicContact CG-CD1 4.16Å
373I97Very high94.5Very high0 Ų017.9 Ų17.90%08%0.077CC..EExtended strand (participates in β ladder)trans-113.8121.7178.6-52.3171.1000107.3V10 E37 Q41 L353 Y354V10-I373 HydrophobicContact CG1-CG1 4.34Å; V10-I373 HydrophobicContact CG2-CG1 4.19Å; V10-I373 HydrophobicContact CG2-CG2 4.11Å; E37-I373 WeakPolarHBondContact OE1-CD1 3.21Å; Q41-I373 HydrophobicContact CB-CG2 4.19Å; Q41-I373 HydrophobicContact CG-CD1 3.48Å; Q41-I373 VanDerWaalsContact CG-CD1 3.48Å; Q41-I373 HydrophobicContact CG-CG1 4.19Å; Q41-I373 HydrophobicContact CG-CG2 3.78Å; L353-I373 CarbonylContact C-O 3.49Å; L353-I373 WeakPolarHBondContact CA-O 3.44Å; Y354-I373 HydrophobicContact CD1-CB 4.44Å; Y354-I373 HydrophobicContact CD1-CD1 3.63Å; Y354-I373 HydrophobicContact CD1-CG1 4.03Å; Y354-I373 HydrophobicContact CE1-CD1 4.23Å; Y354-I373 PolarHBondContact N-O 2.72Å; Y354-I373 PolarHBondContact O-N 2.98Å
374A96Very high94.7Very high1 Ų116 Ų161%0.0087%0.07CC..EExtended strand (participates in β ladder)trans-134.2140.6-174.800000112M9 F11 I343 S352 L353 I376M9-A374 PolarHBondContact N-O 2.78Å; M9-A374 PolarHBondContact O-N 2.84Å; F11-A374 HydrophobicContact CE2-CB 4.49Å; I343-A374 HydrophobicContact CD1-CB 4.44Å; I343-A374 HydrophobicContact CG1-CB 4.36Å; S352-A374 CarbonylContact O-C 3.52Å; S352-A374 WeakPolarHBondContact O-CA 3.13Å; L353-A374 HydrophobicContact CD1-CB 3.95Å; A374-I376 HydrophobicContact CB-CD1 4.07Å; A374-I376 HydrophobicContact CB-CG1 3.84Å
375T95.1Very high94.7Very high20 Ų2017 Ų1712%0.1237%0.074CC..EExtended strand (participates in β ladder)trans-95.6110.2164-58.80000108.2Y6 A7 R8 Q344 S352Y6-T375 HydrophobicContact CD1-CG2 4.13Å; Y6-T375 HydrophobicContact CG-CG2 4.17Å; A7-T375 WeakPolarHBondContact O-CA 3.1Å; R8-T375 WeakPolarHBondContact CD-OG1 3.48Å; R8-T375 PolarHBondContact NH1-OG1 2.86Å; Q344-T375 HydrophobicContact CB-CG2 4.31Å; Q344-T375 WeakPolarHBondContact CB-O 3.28Å; Q344-T375 PolarHBondContact N-O 3.16Å; S352-T375 PolarHBondContact O-N 2.97Å
376I94.7Very high94.7Very high0 Ų018.2 Ų18.20%08%0.08CC..EExtended strand (participates in β ladder)trans-111.2133.7-168.6-61162.7000109.5Y6 A7 M9 F11 F159 L339 R342 I343 A374Y6-I376 CarbonylContact C-O 3.4Å; Y6-I376 VanDerWaalsContact CA-O 3.28Å; Y6-I376 WeakPolarHBondContact CA-O 3.15Å; A7-I376 PolarHBondContact N-O 3.14Å; A7-I376 PolarHBondContact O-N 3.21Å; M9-I376 HydrophobicContact CB-CD1 4.16Å; M9-I376 HydrophobicContact CG-CD1 4.14Å; M9-I376 HydrophobicContact SD-CD1 3.74Å; F11-I376 HydrophobicContact CE2-CD1 4.12Å; F11-I376 HydrophobicContact CZ-CD1 3.99Å; F159-I376 HydrophobicContact CE1-CD1 4.31Å; F159-I376 HydrophobicContact CE1-CG2 4.08Å; F159-I376 HydrophobicContact CZ-CG2 4.02Å; L339-I376 HydrophobicContact CD1-CD1 3.85Å; L339-I376 HydrophobicContact CD1-CG1 4.14Å; L339-I376 HydrophobicContact CD1-CG2 4Å; R342-I376 HydrophobicContact CB-CG2 3.93Å; I343-I376 HydrophobicContact CG1-CG1 4.39Å; A374-I376 HydrophobicContact CB-CD1 4.07Å; A374-I376 HydrophobicContact CB-CG1 3.84Å
377W92.4Very high94.7Very high91 Ų9116 Ų1635%0.3457%0.069SC..EExtended strand (participates in β ladder)trans-68.9127.8172.4-178.276.6000110.9Q5 Y6 R342 K379Q5-W377 WeakPolarHBondContact O-CA 3.36Å; Y6-W377 HydrophobicContact CD1-CB 4Å; Y6-W377 HydrophobicContact CE1-CB 3.71Å; Y6-W377 HydrophobicContact CE1-CG 4.27Å; Y6-W377 AromaticContact CZ-CD1 3.95Å; R342-W377 HydrophobicContact CB-CB 4.4Å; R342-W377 HydrophobicContact CG-CE3 4.24Å; R342-W377 WeakPolarHBondContact O-CB 3.23Å; R342-W377 PolarHBondContact O-N 3.21Å; W377-K379 VanDerWaalsContact CH2-C 3.46Å; W377-K379 WeakPolarHBondContact CH2-O 3.34Å; W377-K379 WeakPolarHBondContact CZ2-O 3.42Å; W377-K379 WeakPolarHBondContact CZ2-OXT 3.3Å; W377-K379 PolarHBondContact NE1-OXT 3.28Å
378V89.8Confident94.6Very high0 Ų017.3 Ų17.30%07%0.074CC..  trans-126.78.9-171.3-68.20000114.3Q5 A7 M9 F155 Q157 F159Q5-V378 PolarHBondContact O-N 3.29Å; A7-V378 HydrophobicContact CB-CG1 3.88Å; A7-V378 HydrophobicContact CB-CG2 4.14Å; M9-V378 HydrophobicContact CE-CG1 4.34Å; F155-V378 HydrophobicContact CB-CB 3.9Å; F155-V378 HydrophobicContact CB-CG2 4.07Å; F155-V378 HydrophobicContact CD1-CG2 4.49Å; F155-V378 HydrophobicContact CD2-CB 4.03Å; F155-V378 HydrophobicContact CD2-CG1 3.98Å; F155-V378 HydrophobicContact CD2-CG2 3.93Å; F155-V378 HydrophobicContact CE2-CG2 4.49Å; F155-V378 HydrophobicContact CG-CB 4.16Å; F155-V378 HydrophobicContact CG-CG2 3.93Å; Q157-V378 VanDerWaalsContact CG-O 3.31Å; Q157-V378 WeakPolarHBondContact CG-O 3.36Å; F159-V378 HydrophobicContact CZ-CG1 4.28Å
379K81Confident94.4Very high94 Ų9418.8 Ų18.841%0.4098%0.081SC..  trans-145.10179.3-79.5-168.2-179.31760112.5D3 V4 W377D3-K379 HydrophobicContact CB-CD 4.46Å; D3-K379 VanDerWaalsContact CG-NZ 3.26Å; D3-K379 IonicContact OD1-NZ 3.84Å; D3-K379 PolarHBondContact OD1-NZ 2.79Å; V4-K379 WeakPolarHBondContact O-CD 3.46Å; V4-K379 WeakPolarHBondContact O-CE 3.34Å; V4-K379 WeakPolarHBondContact O-CG 3.39Å; W377-K379 VanDerWaalsContact CH2-C 3.46Å; W377-K379 WeakPolarHBondContact CH2-O 3.34Å; W377-K379 WeakPolarHBondContact CZ2-O 3.42Å; W377-K379 WeakPolarHBondContact CZ2-OXT 3.3Å; W377-K379 PolarHBondContact NE1-OXT 3.28Å

Retrieved 379 of 379 residues in 182.9 ms (Link to these results)

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