A0A077ZG46_TRITR Loading...

Glucose fructose oxidoreductase

AlphaFold DB , UniProt , Accession A0A077ZG46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 411 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
1M28.8Very low27.5Very low236 Ų236136.9 Ų136.9100%1.16367%0.674SS**  078.30-80-178.8174.600110
2Y29Very low29.5Very low243 Ų243130.9 Ų130.995%0.95364%0.639SS**  trans-142.1111153-96.6-80.7000105.8N4Y2-N4 PolarHBondContact O-N 3.35Å
3V28.2Very low31.8Very low125 Ų125120.8 Ų120.876%0.75859%0.589SS**  trans-65.8122.2-172.6170.90000108.8R5V3-R5 PolarHBondContact O-N 3.13Å
4N23.5Very low33.7Very low151 Ų151113.1 Ų113.181%0.80755%0.552SS**  trans-42.8101.6154.4-85.4-40000109.6Y2Y2-N4 PolarHBondContact O-N 3.35Å
5R26Very low35.4Very low215 Ų215105.6 Ų105.681%0.81152%0.515SS*.  trans-93.592.7157.5-80.1-170.2-178.5-176.31.5107.4V3 F7V3-R5 PolarHBondContact O-N 3.13Å; R5-F7 PolarHBondContact O-N 2.98Å
6L24.4Very low36.7Very low160 Ų16099.8 Ų99.884%0.83849%0.488SS*.  trans-46.5102.9160-71.7151.7000108.5P8L6-P8 WeakPolarHBondContact O-CD 3.32Å
7F25.3Very low37.7Very low185 Ų18593.9 Ų93.981%0.81146%0.459SS*.  trans-81.6115157.2-74.1-79.7000106.1R5 S9R5-F7 PolarHBondContact O-N 2.98Å; F7-S9 PolarHBondContact O-N 3.34Å
8P26.4Very low39Very low100 Ų10096.8 Ų96.865%0.64947%0.472SS*.  trans-60139.8171.125.4-30.3000108.4L6 C10L6-P8 WeakPolarHBondContact O-CD 3.32Å; P8-C10 PolarHBondContact O-N 2.96Å; P8-C10 PolarHBondContact O-SG 3.05Å
9S25.5Very low40.7Very low56 Ų5693.2 Ų93.239%0.39246%0.455SS..  trans-55.489.9-179-38.40000110.8F7 S348F7-S9 PolarHBondContact O-N 3.34Å; S9-S348 WeakPolarHBondContact CB-OG 3.38Å
10C28.2Very low42.5Very low34 Ų3488.6 Ų88.623%0.2343%0.432CS..  trans-100.1106.5-172.7-78.50000111P8 Q71P8-C10 PolarHBondContact O-N 2.96Å; P8-C10 PolarHBondContact O-SG 3.05Å; C10-Q71 PolarHBondContact O-OE1 2.68Å
11I36.7Very low44.2Very low1 Ų187.6 Ų87.61%0.00543%0.433CS..BIsolated β-bridgetrans-80.6143.4170.4-56.2165.3000109.8F32 H33 L72 Q344 L347I11-F32 HydrophobicContact CB-CB 4.48Å; I11-F32 HydrophobicContact CB-CD1 3.8Å; I11-F32 HydrophobicContact CB-CE1 4.34Å; I11-F32 HydrophobicContact CB-CG 4.3Å; I11-F32 HydrophobicContact CD1-CD1 3.89Å; I11-F32 HydrophobicContact CD1-CE1 3.67Å; I11-F32 HydrophobicContact CD1-CG 4.38Å; I11-F32 HydrophobicContact CD1-CZ 4.07Å; I11-F32 HydrophobicContact CG1-CD1 4.45Å; I11-F32 HydrophobicContact CG2-CB 4.35Å; I11-F32 HydrophobicContact CG2-CD1 3.14Å; I11-F32 HydrophobicContact CG2-CE1 3.66Å; I11-F32 HydrophobicContact CG2-CG 4.04Å; I11-F32 CarbonylContact O-C 3.47Å; I11-H33 WeakPolarHBondContact O-CA 3.03Å; I11-H33 PolarHBondContact O-N 3.12Å; I11-L72 HydrophobicContact CG2-CB 4.49Å; I11-L72 HydrophobicContact CG2-CD2 4.26Å; I11-Q344 HydrophobicContact CD1-CB 3.82Å; I11-Q344 HydrophobicContact CD1-CG 3.51Å; I11-L347 HydrophobicContact CB-CD1 4.17Å; I11-L347 HydrophobicContact CD1-CD1 4.06Å; I11-L347 HydrophobicContact CG1-CB 4.27Å; I11-L347 HydrophobicContact CG1-CD1 3.77Å; I11-L347 HydrophobicContact CG2-CD1 3.42Å; I11-L347 VanDerWaalsContact CG2-CD1 3.42Å
12R51.5Low46.5Very low65 Ų6579.2 Ų79.225%0.24540%0.395CS..  trans-135.7116.3-167.3-57.7159.3-176.11610.6110.9H33 K35 E69 L72R12-H33 VanDerWaalsContact CA-O 3.3Å; R12-H33 WeakPolarHBondContact CA-O 3.23Å; R12-K35 HydrophobicContact CB-CB 4.32Å; R12-K35 HydrophobicContact CB-CG 3.77Å; R12-K35 HydrophobicContact CG-CG 3.55Å; R12-E69 VanDerWaalsContact CD-C 3.42Å; R12-E69 WeakPolarHBondContact CD-O 3.13Å; R12-E69 PolarHBondContact NE-O 3.03Å; R12-E69 VanDerWaalsContact NH1-CA 3.31Å; R12-E69 PolarHBondContact NH1-O 2.84Å; R12-L72 CarbonylContact O-C 3.56Å; R12-L72 PolarHBondContact O-N 3.18Å; R12-L72 VanDerWaalsContact O-N 3.11Å
13I60Low49Very low0 Ų067.9 Ų67.90%035%0.351CS..  trans-106150.3-171.9-70.8-178.7000111.4V27 F32 T34 K35 L72 V74 L336I13-V27 HydrophobicContact CD1-CB 3.99Å; I13-V27 HydrophobicContact CD1-CG1 4.41Å; I13-V27 HydrophobicContact CD1-CG2 4.03Å; I13-F32 HydrophobicContact CD1-CB 3.35Å; I13-F32 HydrophobicContact CD1-CD1 3.64Å; I13-F32 HydrophobicContact CD1-CG 3.7Å; I13-F32 HydrophobicContact CG1-CB 3.96Å; I13-F32 HydrophobicContact CG1-CD1 4.08Å; I13-F32 HydrophobicContact CG1-CG 4.43Å; I13-T34 WeakPolarHBondContact O-CG2 3.15Å; I13-K35 PolarHBondContact O-N 2.85Å; I13-L72 WeakPolarHBondContact CA-O 3.23Å; I13-L72 HydrophobicContact CG1-CD2 4.18Å; I13-V74 HydrophobicContact CB-CG2 4.46Å; I13-V74 HydrophobicContact CD1-CG2 4.2Å; I13-V74 HydrophobicContact CG1-CG2 4.12Å; I13-V74 HydrophobicContact CG2-CB 3.98Å; I13-V74 HydrophobicContact CG2-CG2 3.7Å; I13-L336 HydrophobicContact CD1-CD1 4.19Å
14I58.8Low51.7Low12 Ų1262 Ų626%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-107136.6160.1-61.2165.5000107.9A36 W38 V64 L65 V70 V73 V74I14-A36 WeakPolarHBondContact CA-O 3.47Å; I14-W38 HydrophobicContact CG2-CB 4.47Å; I14-V64 HydrophobicContact CB-CG1 4.3Å; I14-V64 HydrophobicContact CD1-CB 4.2Å; I14-V64 HydrophobicContact CD1-CG1 3.19Å; I14-V64 HydrophobicContact CG1-CG1 3.36Å; I14-V64 HydrophobicContact CG2-CG1 3.97Å; I14-L65 HydrophobicContact CD1-CD2 4.19Å; I14-V70 HydrophobicContact CD1-CG1 3.79Å; I14-V70 HydrophobicContact CD1-CG2 4.5Å; I14-V70 HydrophobicContact CG1-CG1 4.03Å; I14-V70 HydrophobicContact CG1-CG2 4.39Å; I14-V73 HydrophobicContact CB-CG1 4.31Å; I14-V73 HydrophobicContact CD1-CB 4.29Å; I14-V73 HydrophobicContact CD1-CG1 3.83Å; I14-V73 HydrophobicContact CD1-CG2 3.95Å; I14-V74 CarbonylContact O-C 3.5Å; I14-V74 WeakPolarHBondContact O-CA 3Å; I14-V74 VanDerWaalsContact O-CB 3.27Å; I14-V74 WeakPolarHBondContact O-CB 3.26Å; I14-V74 PolarHBondContact O-N 2.79Å
15A58.1Low54.7Low1 Ų157.2 Ų57.21%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-135.3157.9169.100000109.1F23 V24 L37A15-F23 HydrophobicContact CB-CD1 4.13Å; A15-F23 HydrophobicContact CB-CE1 4.49Å; A15-V24 HydrophobicContact CB-CG2 4.41Å; A15-L37 HydrophobicContact CB-CD1 4.39Å; A15-L37 WeakPolarHBondContact O-CD1 3.41Å
16P56.6Low57.4Low12 Ų1250.7 Ų50.78%0.07827%0.268CS..  trans-78.4143.216929.1-28.9000110.5E18 L19 A20 W38 T39 T76P16-E18 PolarHBondContact O-N 2.86Å; P16-E18 VanDerWaalsContact O-N 3.14Å; P16-L19 HydrophobicContact CG-CD1 4.27Å; P16-L19 HydrophobicContact CG-CG 4.46Å; P16-L19 PolarHBondContact O-N 2.82Å; P16-L19 VanDerWaalsContact O-N 3.08Å; P16-A20 PolarHBondContact O-N 2.8Å; P16-W38 WeakPolarHBondContact CA-O 3.45Å; P16-T39 HydrophobicContact CB-CG2 3.98Å; P16-T76 WeakPolarHBondContact CD-OG1 3.46Å; P16-T76 WeakPolarHBondContact CG-O 3.27Å; P16-T76 WeakPolarHBondContact CG-OG1 3.37Å
17A53.2Low60.3Low0 Ų043.1 Ų43.10%023%0.228CC..THydrogen-bonded Turntrans-57.5-29.4-174.100000113.6L19 A20 P21 L37 T39 H44 V48A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.83Å; A17-A20 PolarHBondContact O-N 3.1Å; A17-P21 WeakPolarHBondContact O-CD 3.39Å; A17-L37 HydrophobicContact CB-CD2 3.71Å; A17-L37 HydrophobicContact CB-CG 4.37Å; A17-T39 HydrophobicContact CB-CG2 3.38Å; A17-H44 WeakPolarHBondContact CB-ND1 3.28Å; A17-V48 HydrophobicContact CB-CB 4.14Å; A17-V48 HydrophobicContact CB-CG1 4.28Å; A17-V48 HydrophobicContact CB-CG2 4.18Å
18E61.8Low63.2Low146 Ų14636.8 Ų36.868%0.68220%0.203SC*.THydrogen-bonded Turntrans-63.4-35.2178-64.5167.4-174.200112.7P16P16-E18 PolarHBondContact O-N 2.86Å; P16-E18 VanDerWaalsContact O-N 3.14Å
19L71Confident66Low29 Ų2939.7 Ų39.715%0.15221%0.205CC..THydrogen-bonded Turntrans-95.6-22.4179.4-57.8178.8000112.1P16 A17 T22 F23 T76 Q329P16-L19 HydrophobicContact CG-CD1 4.27Å; P16-L19 HydrophobicContact CG-CG 4.46Å; P16-L19 PolarHBondContact O-N 2.82Å; P16-L19 VanDerWaalsContact O-N 3.08Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.83Å; L19-T22 PolarHBondContact O-N 3.38Å; L19-T22 VanDerWaalsContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.2Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å; L19-F23 HydrophobicContact CB-CB 4.46Å; L19-F23 VanDerWaalsContact O-CB 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.39Å; L19-F23 PolarHBondContact O-N 3.23Å; L19-T76 HydrophobicContact CD1-CG2 3.9Å; L19-Q329 HydrophobicContact CD2-CG 3.78Å
20A76.7Confident68.9Low0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-54.6-43-170.200000114.9P16 A17 T22 F23 V24 P25 L37 V48 L52P16-A20 PolarHBondContact O-N 2.8Å; A17-A20 PolarHBondContact O-N 3.1Å; A20-T22 PolarHBondContact O-N 2.86Å; A20-T22 VanDerWaalsContact O-N 3.1Å; A20-F23 PolarHBondContact O-N 3.25Å; A20-V24 HydrophobicContact CB-CG2 3.77Å; A20-V24 VanDerWaalsContact O-CB 3.26Å; A20-V24 WeakPolarHBondContact O-CB 3.48Å; A20-V24 PolarHBondContact O-N 3.03Å; A20-P25 WeakPolarHBondContact O-CD 3.46Å; A20-L37 HydrophobicContact CB-CD1 3.58Å; A20-L37 HydrophobicContact CB-CD2 4.44Å; A20-V48 HydrophobicContact CB-CG1 3.7Å; A20-L52 HydrophobicContact CB-CD1 3.92Å
21P79.2Confident71.6Confident68 Ų6837.5 Ų37.544%0.44219%0.191SC..Hα-helixtrans-56.2-33-179.4-28.635.3000114.2A17 P25 V48A17-P21 WeakPolarHBondContact O-CD 3.39Å; P21-P25 WeakPolarHBondContact O-CD 3.4Å; P21-P25 WeakPolarHBondContact O-CG 3.46Å; P21-V48 HydrophobicContact CG-CG1 4.11Å; P21-V48 HydrophobicContact CG-CG2 4.44Å
22T76.9Confident74Confident61 Ų6137.4 Ų37.437%0.37419%0.191SC..Hα-helixtrans-98.9-29.7-178.860.80000112.9L19 A20 R26 Q329L19-T22 PolarHBondContact O-N 3.38Å; L19-T22 VanDerWaalsContact O-N 3.17Å; L19-T22 PolarHBondContact O-OG1 3.2Å; L19-T22 VanDerWaalsContact O-OG1 3.09Å; A20-T22 PolarHBondContact O-N 2.86Å; A20-T22 VanDerWaalsContact O-N 3.1Å; T22-R26 WeakPolarHBondContact O-CD 3.39Å; T22-R26 WeakPolarHBondContact O-CG 3.45Å; T22-Q329 VanDerWaalsContact OG1-CD 3.3Å; T22-Q329 PolarHBondContact OG1-NE2 3.15Å; T22-Q329 PolarHBondContact OG1-OE1 3.38Å
23F81.1Confident75.8Confident5 Ų538.1 Ų38.12%0.02220%0.197CC..Hα-helixtrans-89.7-45.9-173-174.7-107.9000112.5A15 L19 A20 R26 V27 V74 L332 F333 L336A15-F23 HydrophobicContact CB-CD1 4.13Å; A15-F23 HydrophobicContact CB-CE1 4.49Å; L19-F23 HydrophobicContact CB-CB 4.46Å; L19-F23 VanDerWaalsContact O-CB 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.39Å; L19-F23 PolarHBondContact O-N 3.23Å; A20-F23 PolarHBondContact O-N 3.25Å; F23-R26 WeakPolarHBondContact O-CB 3.48Å; F23-R26 PolarHBondContact O-N 2.98Å; F23-R26 VanDerWaalsContact O-N 3.11Å; F23-V27 HydrophobicContact CD1-CG1 4.04Å; F23-V27 HydrophobicContact CD1-CG2 4.47Å; F23-V27 HydrophobicContact CD2-CG1 4.19Å; F23-V27 HydrophobicContact CE1-CG1 3.65Å; F23-V27 HydrophobicContact CE1-CG2 4.46Å; F23-V27 HydrophobicContact CE2-CG1 3.81Å; F23-V27 HydrophobicContact CG-CG1 4.31Å; F23-V27 HydrophobicContact CZ-CG1 3.55Å; F23-V27 PolarHBondContact O-N 2.97Å; F23-V74 HydrophobicContact CE1-CG1 4.42Å; F23-V74 HydrophobicContact CZ-CG1 4.43Å; F23-L332 HydrophobicContact CE1-CD2 4.3Å; F23-L332 HydrophobicContact CE2-CB 4.23Å; F23-L332 HydrophobicContact CE2-CD2 3.71Å; F23-L332 HydrophobicContact CE2-CG 3.77Å; F23-L332 HydrophobicContact CZ-CD2 3.52Å; F23-L332 HydrophobicContact CZ-CG 3.73Å; F23-F333 HydrophobicContact CE2-CB 4.44Å; F23-L336 HydrophobicContact CE1-CD1 4.24Å; F23-L336 HydrophobicContact CE2-CD1 4.13Å; F23-L336 HydrophobicContact CZ-CD1 3.43Å; F23-L336 VanDerWaalsContact CZ-CD1 3.43Å
24V85.2Confident77.2Confident1 Ų138.5 Ų38.51%0.00620%0.199CC..Hα-helixtrans-59.3-47.2-175.9169.20000112.4A15 A20 R26 V27 N28 T34 L52 I54A15-V24 HydrophobicContact CB-CG2 4.41Å; A20-V24 HydrophobicContact CB-CG2 3.77Å; A20-V24 VanDerWaalsContact O-CB 3.26Å; A20-V24 WeakPolarHBondContact O-CB 3.48Å; A20-V24 PolarHBondContact O-N 3.03Å; V24-R26 PolarHBondContact O-N 3.05Å; V24-V27 WeakPolarHBondContact O-CG2 3.45Å; V24-V27 PolarHBondContact O-N 3.21Å; V24-N28 VanDerWaalsContact O-CB 3.3Å; V24-N28 WeakPolarHBondContact O-CB 3.28Å; V24-N28 PolarHBondContact O-N 2.94Å; V24-T34 HydrophobicContact CG1-CG2 4.38Å; V24-T34 HydrophobicContact CG2-CG2 4.11Å; V24-L52 HydrophobicContact CB-CD1 4.08Å; V24-L52 HydrophobicContact CG1-CD1 4.4Å; V24-L52 HydrophobicContact CG2-CD1 4.37Å; V24-I54 HydrophobicContact CG1-CD1 4.27Å; V24-I54 HydrophobicContact CG2-CD1 4.21Å
25P85.7Confident78.8Confident51 Ų5141 Ų4133%0.33121%0.21SC..Hα-helixtrans-58.1-35.7177.4-26.836.2000113A20 P21 K29 L52A20-P25 WeakPolarHBondContact O-CD 3.46Å; P21-P25 WeakPolarHBondContact O-CD 3.4Å; P21-P25 WeakPolarHBondContact O-CG 3.46Å; P25-K29 WeakPolarHBondContact O-CG 3.47Å; P25-K29 PolarHBondContact O-N 3.29Å; P25-L52 HydrophobicContact CG-CD2 4.02Å
26R82.9Confident80.3Confident78 Ų7841 Ų4129%0.29421%0.209SC..Hα-helixtrans-74.2-44.4-178.8-68.1-177174.11480.2112.3T22 F23 V24 N28 K29 L30 F333T22-R26 WeakPolarHBondContact O-CD 3.39Å; T22-R26 WeakPolarHBondContact O-CG 3.45Å; F23-R26 WeakPolarHBondContact O-CB 3.48Å; F23-R26 PolarHBondContact O-N 2.98Å; F23-R26 VanDerWaalsContact O-N 3.11Å; V24-R26 PolarHBondContact O-N 3.05Å; R26-N28 VanDerWaalsContact C-N 3.33Å; R26-K29 WeakPolarHBondContact O-CB 3.39Å; R26-K29 PolarHBondContact O-N 3.37Å; R26-L30 PolarHBondContact O-N 2.96Å; R26-F333 HydrophobicContact CB-CD2 3.72Å; R26-F333 HydrophobicContact CB-CE2 3.53Å; R26-F333 HydrophobicContact CB-CZ 4.3Å; R26-F333 HydrophobicContact CG-CE2 4.48Å
27V84.5Confident82Confident0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-69.7-33177.3-57.90000111.8I13 F23 V24 K29 L30 G31 F32 L336I13-V27 HydrophobicContact CD1-CB 3.99Å; I13-V27 HydrophobicContact CD1-CG1 4.41Å; I13-V27 HydrophobicContact CD1-CG2 4.03Å; F23-V27 HydrophobicContact CD1-CG1 4.04Å; F23-V27 HydrophobicContact CD1-CG2 4.47Å; F23-V27 HydrophobicContact CD2-CG1 4.19Å; F23-V27 HydrophobicContact CE1-CG1 3.65Å; F23-V27 HydrophobicContact CE1-CG2 4.46Å; F23-V27 HydrophobicContact CE2-CG1 3.81Å; F23-V27 HydrophobicContact CG-CG1 4.31Å; F23-V27 HydrophobicContact CZ-CG1 3.55Å; F23-V27 PolarHBondContact O-N 2.97Å; V24-V27 WeakPolarHBondContact O-CG2 3.45Å; V24-V27 PolarHBondContact O-N 3.21Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 2.83Å; V27-L30 WeakPolarHBondContact O-CB 3.39Å; V27-L30 PolarHBondContact O-N 3.34Å; V27-G31 PolarHBondContact O-N 3.48Å; V27-F32 CarbonylContact C-O 3.32Å; V27-F32 HydrophobicContact CB-CB 4.23Å; V27-F32 WeakPolarHBondContact O-CB 3.19Å; V27-F32 PolarHBondContact O-N 3.06Å; V27-L336 HydrophobicContact CB-CD1 4.39Å; V27-L336 HydrophobicContact CG1-CD1 3.45Å; V27-L336 VanDerWaalsContact CG1-CD1 3.45Å
28N86.4Confident83.7Confident53 Ų5341.7 Ų41.728%0.28321%0.21SC..Hα-helixtrans-60-41.3171.8-76.4-10.5000111.2V24 R26 L30 G31 F32 T34V24-N28 VanDerWaalsContact O-CB 3.3Å; V24-N28 WeakPolarHBondContact O-CB 3.28Å; V24-N28 PolarHBondContact O-N 2.94Å; R26-N28 VanDerWaalsContact C-N 3.33Å; N28-L30 PolarHBondContact O-N 3Å; N28-G31 PolarHBondContact O-N 3.42Å; N28-F32 VanDerWaalsContact CA-O 3.3Å; N28-F32 WeakPolarHBondContact CA-O 3.49Å; N28-F32 PolarHBondContact N-O 3.21Å; N28-F32 PolarHBondContact OD1-O 3.22Å; N28-T34 PolarHBondContact OD1-N 2.98Å; N28-T34 VanDerWaalsContact OD1-N 3.09Å
29K86.4Confident84.8Confident161 Ų16135 Ų3570%0.718%0.18SC*.Hα-helixtrans-61.7-28.1174.3-74.1177.8180-171.60113.3P25 R26 V27 G31P25-K29 WeakPolarHBondContact O-CG 3.47Å; P25-K29 PolarHBondContact O-N 3.29Å; R26-K29 WeakPolarHBondContact O-CB 3.39Å; R26-K29 PolarHBondContact O-N 3.37Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 2.83Å; K29-G31 PolarHBondContact O-N 2.89Å
30L85.1Confident85.3Confident22 Ų2238.2 Ų38.212%0.11520%0.202CC..THydrogen-bonded Turntrans-78.8-3.9174.7-66.5177.4000113.2R26 V27 N28 F32 F333 L336 R337 N340 Q344R26-L30 PolarHBondContact O-N 2.96Å; V27-L30 WeakPolarHBondContact O-CB 3.39Å; V27-L30 PolarHBondContact O-N 3.34Å; N28-L30 PolarHBondContact O-N 3Å; L30-F32 HydrophobicContact CB-CD2 3.63Å; L30-F32 HydrophobicContact CB-CE2 3.87Å; L30-F32 HydrophobicContact CD1-CE2 4.5Å; L30-F333 HydrophobicContact CD1-CD2 4.09Å; L30-F333 HydrophobicContact CD1-CE2 3.47Å; L30-F333 VanDerWaalsContact CD1-CE2 3.47Å; L30-F333 HydrophobicContact CD1-CZ 4.06Å; L30-F333 HydrophobicContact CG-CE2 3.94Å; L30-F333 HydrophobicContact CG-CZ 4.34Å; L30-L336 HydrophobicContact CD1-CB 4.27Å; L30-R337 HydrophobicContact CD1-CB 4.06Å; L30-R337 HydrophobicContact CD2-CB 4.38Å; L30-R337 HydrophobicContact CD2-CG 4.09Å; L30-N340 PolarHBondContact O-ND2 2.93Å; L30-N340 PolarHBondContact O-OD1 3.14Å; L30-Q344 PolarHBondContact O-NE2 2.93Å
31G86.6Confident85.7Confident21 Ų2142.4 Ų42.422%0.21623%0.225CC..THydrogen-bonded Turntrans93.48.1-176.800000114.3V27 N28 K29V27-G31 PolarHBondContact O-N 3.48Å; N28-G31 PolarHBondContact O-N 3.42Å; K29-G31 PolarHBondContact O-N 2.89Å
32F86.4Confident86.2Confident0 Ų042.8 Ų42.80%022%0.222CC..BIsolated β-bridgetrans-93.697.7174.1-59.4-103.5000110I11 I13 V27 N28 L30 T34 L72 L336 N340 L343I11-F32 HydrophobicContact CB-CB 4.48Å; I11-F32 HydrophobicContact CB-CD1 3.8Å; I11-F32 HydrophobicContact CB-CE1 4.34Å; I11-F32 HydrophobicContact CB-CG 4.3Å; I11-F32 HydrophobicContact CD1-CD1 3.89Å; I11-F32 HydrophobicContact CD1-CE1 3.67Å; I11-F32 HydrophobicContact CD1-CG 4.38Å; I11-F32 HydrophobicContact CD1-CZ 4.07Å; I11-F32 HydrophobicContact CG1-CD1 4.45Å; I11-F32 HydrophobicContact CG2-CB 4.35Å; I11-F32 HydrophobicContact CG2-CD1 3.14Å; I11-F32 HydrophobicContact CG2-CE1 3.66Å; I11-F32 HydrophobicContact CG2-CG 4.04Å; I11-F32 CarbonylContact O-C 3.47Å; I13-F32 HydrophobicContact CD1-CB 3.35Å; I13-F32 HydrophobicContact CD1-CD1 3.64Å; I13-F32 HydrophobicContact CD1-CG 3.7Å; I13-F32 HydrophobicContact CG1-CB 3.96Å; I13-F32 HydrophobicContact CG1-CD1 4.08Å; I13-F32 HydrophobicContact CG1-CG 4.43Å; V27-F32 CarbonylContact C-O 3.32Å; V27-F32 HydrophobicContact CB-CB 4.23Å; V27-F32 WeakPolarHBondContact O-CB 3.19Å; V27-F32 PolarHBondContact O-N 3.06Å; N28-F32 VanDerWaalsContact CA-O 3.3Å; N28-F32 WeakPolarHBondContact CA-O 3.49Å; N28-F32 PolarHBondContact N-O 3.21Å; N28-F32 PolarHBondContact OD1-O 3.22Å; L30-F32 HydrophobicContact CB-CD2 3.63Å; L30-F32 HydrophobicContact CB-CE2 3.87Å; L30-F32 HydrophobicContact CD1-CE2 4.5Å; F32-T34 PolarHBondContact O-N 3.16Å; F32-L72 HydrophobicContact CD1-CD2 4.18Å; F32-L72 HydrophobicContact CE1-CD2 4.08Å; F32-L336 HydrophobicContact CE1-CD2 4.27Å; F32-L336 HydrophobicContact CZ-CD2 4.33Å; F32-N340 HydrophobicContact CE2-CB 4.19Å; F32-N340 VanDerWaalsContact CE2-OD1 3.26Å; F32-N340 WeakPolarHBondContact CE2-OD1 3.45Å; F32-N340 HydrophobicContact CZ-CB 4.49Å; F32-L343 HydrophobicContact CE1-CB 4.23Å; F32-L343 HydrophobicContact CE1-CD1 4.06Å; F32-L343 HydrophobicContact CZ-CB 4.21Å; F32-L343 HydrophobicContact CZ-CD1 3.95Å
33H88.6Confident86.9Confident79 Ų7943.2 Ų43.237%0.36623%0.232SC..  trans-80.3104.9-179.3-62.2-65.3000112.1I11 R12 K35I11-H33 WeakPolarHBondContact O-CA 3.03Å; I11-H33 PolarHBondContact O-N 3.12Å; R12-H33 VanDerWaalsContact CA-O 3.3Å; R12-H33 WeakPolarHBondContact CA-O 3.23Å; H33-K35 PolarHBondContact O-N 3.37Å
34T90.2Very high87.2Confident8 Ų846.4 Ų46.45%0.04925%0.247CC..  trans-59.2125.8175.8-570000111.3I13 V24 N28 F32 I54I13-T34 WeakPolarHBondContact O-CG2 3.15Å; V24-T34 HydrophobicContact CG1-CG2 4.38Å; V24-T34 HydrophobicContact CG2-CG2 4.11Å; N28-T34 PolarHBondContact OD1-N 2.98Å; N28-T34 VanDerWaalsContact OD1-N 3.09Å; F32-T34 PolarHBondContact O-N 3.16Å; T34-I54 HydrophobicContact CG2-CD1 3.79Å; T34-I54 HydrophobicContact CG2-CG1 4.06Å; T34-I54 HydrophobicContact CG2-CG2 4.11Å
35K91.5Very high87.2Confident66 Ų6646.3 Ų46.329%0.28725%0.246SC..  trans-111.4-21.7-178.4-68.9-59-179.8-170.80113.8R12 I13 H33 P55 F56 E69R12-K35 HydrophobicContact CB-CB 4.32Å; R12-K35 HydrophobicContact CB-CG 3.77Å; R12-K35 HydrophobicContact CG-CG 3.55Å; I13-K35 PolarHBondContact O-N 2.85Å; H33-K35 PolarHBondContact O-N 3.37Å; K35-P55 HydrophobicContact CD-CG 4.05Å; K35-P55 WeakPolarHBondContact O-CD 3.41Å; K35-P55 VanDerWaalsContact O-CG 3.32Å; K35-P55 WeakPolarHBondContact O-CG 3.22Å; K35-F56 PolarHBondContact O-N 2.84Å; K35-E69 HydrophobicContact CG-CB 4.45Å
36A91.2Very high87.6Confident0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-151146.9-178.700000110.9I14 F56 V64 V70I14-A36 WeakPolarHBondContact CA-O 3.47Å; A36-F56 CarbonylContact C-O 3.53Å; A36-F56 VanDerWaalsContact CA-O 3.25Å; A36-F56 WeakPolarHBondContact CA-O 3.04Å; A36-F56 HydrophobicContact CB-CB 4.09Å; A36-F56 HydrophobicContact CB-CD1 3.9Å; A36-V64 HydrophobicContact CB-CB 4.47Å; A36-V64 HydrophobicContact CB-CG1 3.44Å; A36-V64 VanDerWaalsContact CB-CG1 3.44Å; A36-V70 HydrophobicContact CB-CG2 4.21Å
37L90.5Very high88Confident0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-122.9144.7178.3-162.477.7000109.3A15 A17 A20 T45 V48 A49 I54 F56 A57 A58A15-L37 HydrophobicContact CB-CD1 4.39Å; A15-L37 WeakPolarHBondContact O-CD1 3.41Å; A17-L37 HydrophobicContact CB-CD2 3.71Å; A17-L37 HydrophobicContact CB-CG 4.37Å; A20-L37 HydrophobicContact CB-CD1 3.58Å; A20-L37 HydrophobicContact CB-CD2 4.44Å; L37-T45 HydrophobicContact CB-CG2 4.01Å; L37-T45 HydrophobicContact CD2-CG2 3.8Å; L37-T45 HydrophobicContact CG-CG2 3.94Å; L37-V48 HydrophobicContact CD2-CB 3.99Å; L37-V48 HydrophobicContact CD2-CG1 3.76Å; L37-A49 HydrophobicContact CD2-CB 4.3Å; L37-I54 HydrophobicContact CB-CD1 4.3Å; L37-I54 HydrophobicContact CB-CG2 4.34Å; L37-I54 HydrophobicContact CD1-CD1 4.03Å; L37-I54 HydrophobicContact CD2-CD1 4.44Å; L37-F56 PolarHBondContact N-O 3.07Å; L37-A57 WeakPolarHBondContact O-CA 3.31Å; L37-A58 PolarHBondContact O-N 2.79Å; L37-A58 VanDerWaalsContact O-N 3.12Å
38W89.3Confident88.2Confident26 Ų2649.2 Ų49.210%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-138.5131.8175.8173.178.3000111.3I14 P16 P40 A58 S59 C60 P61 V64 A77 I81 L85I14-W38 HydrophobicContact CG2-CB 4.47Å; P16-W38 WeakPolarHBondContact CA-O 3.45Å; W38-P40 HydrophobicContact CH2-CG 4.09Å; W38-P40 HydrophobicContact CZ2-CG 4.03Å; W38-A58 WeakPolarHBondContact CA-O 3.1Å; W38-S59 PolarHBondContact NE1-O 3.48Å; W38-C60 VanDerWaalsContact CD1-C 3.44Å; W38-P61 HydrophobicContact CD2-CB 4.14Å; W38-P61 HydrophobicContact CG-CB 4.29Å; W38-P61 HydrophobicContact CZ2-CB 4.35Å; W38-P61 HydrophobicContact CZ2-CG 4.34Å; W38-P61 VanDerWaalsContact NE1-CD 3.34Å; W38-P61 VanDerWaalsContact NE1-N 3.16Å; W38-V64 HydrophobicContact CB-CG2 3.9Å; W38-A77 HydrophobicContact CZ3-CB 4.35Å; W38-I81 HydrophobicContact CH2-CD1 4.37Å; W38-I81 HydrophobicContact CH2-CG2 3.92Å; W38-I81 HydrophobicContact CZ3-CG2 4.41Å; W38-L85 HydrophobicContact CE3-CD1 4.35Å; W38-L85 HydrophobicContact CH2-CD1 4.4Å; W38-L85 HydrophobicContact CZ3-CD1 3.97Å
39T84.4Confident88.5Confident7 Ų747 Ų474%0.04325%0.253CS..  trans-147.8162.3155.273.30000110.2P16 A17 D41 T45 S59P16-T39 HydrophobicContact CB-CG2 3.98Å; A17-T39 HydrophobicContact CB-CG2 3.38Å; T39-D41 PolarHBondContact O-N 3.39Å; T39-D41 PolarHBondContact OG1-N 3.05Å; T39-D41 PolarHBondContact OG1-O 3.41Å; T39-D41 VanDerWaalsContact OG1-O 3.12Å; T39-T45 PolarHBondContact N-OG1 3.1Å; T39-T45 PolarHBondContact O-OG1 3.29Å; T39-T45 PolarHBondContact OG1-OG1 3.43Å; T39-S59 VanDerWaalsContact O-CA 3.28Å; T39-S59 WeakPolarHBondContact O-CA 3.22Å
40P81.8Confident88.8Confident96 Ų9642.3 Ų42.362%0.62325%0.245SC*.SBendtrans-57-29.4174.1-25.435.5000114W38 I42W38-P40 HydrophobicContact CH2-CG 4.09Å; W38-P40 HydrophobicContact CZ2-CG 4.03Å; P40-I42 PolarHBondContact O-N 2.91Å
41D85.6Confident89.2Confident88 Ų8846.4 Ų46.447%0.47127%0.267SS..  trans-85.896.9175.8-176.2-12.1000110.4T39 A43 H44 T45T39-D41 PolarHBondContact O-N 3.39Å; T39-D41 PolarHBondContact OG1-N 3.05Å; T39-D41 PolarHBondContact OG1-O 3.41Å; T39-D41 VanDerWaalsContact OG1-O 3.12Å; D41-A43 VanDerWaalsContact C-N 3.28Å; D41-A43 PolarHBondContact O-N 3.46Å; D41-A43 WeakPolarHBondContact OD1-CB 3.27Å; D41-A43 PolarHBondContact OD1-N 2.73Å; D41-H44 HydrophobicContact CB-CB 4.09Å; D41-H44 PolarHBondContact OD1-N 2.75Å; D41-H44 VanDerWaalsContact OD1-N 3.09Å; D41-H44 WeakPolarHBondContact OD2-CB 3.39Å; D41-T45 WeakPolarHBondContact O-CB 3.34Å; D41-T45 PolarHBondContact O-N 3.45Å; D41-T45 PolarHBondContact O-OG1 2.99Å
42I90.6Very high89.4Confident76 Ų7647 Ų4739%0.3927%0.265SS..Hα-helixtrans-61.4-36179.3-171.958.1000112.5P40 T45 V46P40-I42 PolarHBondContact O-N 2.91Å; I42-T45 PolarHBondContact O-N 3.03Å; I42-V46 HydrophobicContact CD1-CG2 3.82Å; I42-V46 HydrophobicContact CG1-CG2 4.11Å; I42-V46 WeakPolarHBondContact O-CB 3.34Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.34Å; I42-V46 PolarHBondContact O-N 3.14Å
43A91.6Very high89.7Confident70 Ų7054.3 Ų54.358%0.57930%0.304SS*.Hα-helixtrans-67.4-47.6-175.900000110.2D41 Q47D41-A43 VanDerWaalsContact C-N 3.28Å; D41-A43 PolarHBondContact O-N 3.46Å; D41-A43 WeakPolarHBondContact OD1-CB 3.27Å; D41-A43 PolarHBondContact OD1-N 2.73Å; A43-Q47 WeakPolarHBondContact O-CB 3.5Å; A43-Q47 PolarHBondContact O-N 3.46Å; A43-Q47 VanDerWaalsContact O-N 3.12Å
44H85.8Confident89.8Confident71 Ų7151.1 Ų51.133%0.32929%0.29SS..Hα-helixtrans-64.3-40.2173.9-178.8-120000112.1A17 D41 V46 Q47 V48A17-H44 WeakPolarHBondContact CB-ND1 3.28Å; D41-H44 HydrophobicContact CB-CB 4.09Å; D41-H44 PolarHBondContact OD1-N 2.75Å; D41-H44 VanDerWaalsContact OD1-N 3.09Å; D41-H44 WeakPolarHBondContact OD2-CB 3.39Å; H44-V46 PolarHBondContact O-N 2.97Å; H44-Q47 PolarHBondContact O-N 3.47Å; H44-V48 WeakPolarHBondContact NE2-CG2 3.33Å; H44-V48 WeakPolarHBondContact O-CB 3.47Å; H44-V48 WeakPolarHBondContact O-CG2 3.41Å; H44-V48 PolarHBondContact O-N 3.21Å
45T87.1Confident89.9Confident0 Ų055.2 Ų55.20%032%0.316CS..Hα-helixtrans-62.3-45.3179.3-51.10000111.9L37 T39 D41 I42 A49 A57L37-T45 HydrophobicContact CB-CG2 4.01Å; L37-T45 HydrophobicContact CD2-CG2 3.8Å; L37-T45 HydrophobicContact CG-CG2 3.94Å; T39-T45 PolarHBondContact N-OG1 3.1Å; T39-T45 PolarHBondContact O-OG1 3.29Å; T39-T45 PolarHBondContact OG1-OG1 3.43Å; D41-T45 WeakPolarHBondContact O-CB 3.34Å; D41-T45 PolarHBondContact O-N 3.45Å; D41-T45 PolarHBondContact O-OG1 2.99Å; I42-T45 PolarHBondContact O-N 3.03Å; T45-A49 WeakPolarHBondContact O-CB 3.21Å; T45-A49 PolarHBondContact O-N 3.29Å; T45-A57 HydrophobicContact CG2-CB 3.78Å
46V92.3Very high89.9Confident79 Ų7954.1 Ų54.148%0.47931%0.311SS..Hα-helixtrans-65.4-42.5178.91700000110.8I42 H44 A49 A50 A57I42-V46 HydrophobicContact CD1-CG2 3.82Å; I42-V46 HydrophobicContact CG1-CG2 4.11Å; I42-V46 WeakPolarHBondContact O-CB 3.34Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.34Å; I42-V46 PolarHBondContact O-N 3.14Å; H44-V46 PolarHBondContact O-N 2.97Å; V46-A49 PolarHBondContact O-N 3.26Å; V46-A50 WeakPolarHBondContact O-CB 3.37Å; V46-A50 PolarHBondContact O-N 3.42Å; V46-A57 HydrophobicContact CG2-CB 4.02Å
47Q92.6Very high89.9Confident104 Ų10455.2 Ų55.249%0.48632%0.32SS..Hα-helixtrans-59.5-53176.9-178.458.344.100111.4A43 H44 A49 A50 D51A43-Q47 WeakPolarHBondContact O-CB 3.5Å; A43-Q47 PolarHBondContact O-N 3.46Å; A43-Q47 VanDerWaalsContact O-N 3.12Å; H44-Q47 PolarHBondContact O-N 3.47Å; Q47-A49 VanDerWaalsContact C-N 3.31Å; Q47-A49 PolarHBondContact O-N 3.27Å; Q47-A50 WeakPolarHBondContact O-CB 3.44Å; Q47-A50 PolarHBondContact O-N 3.3Å; Q47-A50 VanDerWaalsContact O-N 3.16Å; Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.21Å; Q47-D51 PolarHBondContact NE2-OD2 3.2Å; Q47-D51 VanDerWaalsContact O-CG 3.27Å; Q47-D51 PolarHBondContact O-N 2.79Å
48V88.9Confident89.9Confident7 Ų755.3 Ų55.34%0.04232%0.321CS..Hα-helixtrans-64.6-35.9-179.4172.80000112A17 A20 P21 L37 H44 D51 L52A17-V48 HydrophobicContact CB-CB 4.14Å; A17-V48 HydrophobicContact CB-CG1 4.28Å; A17-V48 HydrophobicContact CB-CG2 4.18Å; A20-V48 HydrophobicContact CB-CG1 3.7Å; P21-V48 HydrophobicContact CG-CG1 4.11Å; P21-V48 HydrophobicContact CG-CG2 4.44Å; L37-V48 HydrophobicContact CD2-CB 3.99Å; L37-V48 HydrophobicContact CD2-CG1 3.76Å; H44-V48 WeakPolarHBondContact NE2-CG2 3.33Å; H44-V48 WeakPolarHBondContact O-CB 3.47Å; H44-V48 WeakPolarHBondContact O-CG2 3.41Å; H44-V48 PolarHBondContact O-N 3.21Å; V48-D51 PolarHBondContact O-N 2.76Å; V48-L52 HydrophobicContact CG1-CD1 3.69Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 2.7Å
49A91.4Very high89.9Confident5 Ų556.6 Ų56.64%0.04133%0.334CS..Hα-helixtrans-65.7-4017500000112L37 T45 V46 Q47 L52 D53 I54 A57L37-A49 HydrophobicContact CD2-CB 4.3Å; T45-A49 WeakPolarHBondContact O-CB 3.21Å; T45-A49 PolarHBondContact O-N 3.29Å; V46-A49 PolarHBondContact O-N 3.26Å; Q47-A49 VanDerWaalsContact C-N 3.31Å; Q47-A49 PolarHBondContact O-N 3.27Å; A49-L52 PolarHBondContact O-N 3.18Å; A49-D53 PolarHBondContact O-N 2.99Å; A49-D53 VanDerWaalsContact O-N 3.17Å; A49-I54 HydrophobicContact CB-CB 4Å; A49-I54 PolarHBondContact O-N 3.07Å; A49-A57 HydrophobicContact CB-CB 3.74Å
50A93.7Very high90.2Very high64 Ų6458.4 Ų58.453%0.52935%0.347SS..Hα-helixtrans-64.8-44.5174.700000111.8V46 Q47 L52 D53V46-A50 WeakPolarHBondContact O-CB 3.37Å; V46-A50 PolarHBondContact O-N 3.42Å; Q47-A50 WeakPolarHBondContact O-CB 3.44Å; Q47-A50 PolarHBondContact O-N 3.3Å; Q47-A50 VanDerWaalsContact O-N 3.16Å; A50-L52 PolarHBondContact O-N 2.95Å; A50-D53 PolarHBondContact O-N 2.87Å
51D92.8Very high90.5Very high107 Ų10755.1 Ų55.157%0.57233%0.326SS*.Hα-helixtrans-64.9-21.4-179.6-66.4-25.5000113.4Q47 V48Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.21Å; Q47-D51 PolarHBondContact NE2-OD2 3.2Å; Q47-D51 VanDerWaalsContact O-CG 3.27Å; Q47-D51 PolarHBondContact O-N 2.79Å; V48-D51 PolarHBondContact O-N 2.76Å
52L91.1Very high90.7Very high35 Ų3553.7 Ų53.718%0.18332%0.318CS..THydrogen-bonded Turntrans-114.710.6-175.6-63.3172.5000113.7A20 V24 P25 V48 A49 A50 I54A20-L52 HydrophobicContact CB-CD1 3.92Å; V24-L52 HydrophobicContact CB-CD1 4.08Å; V24-L52 HydrophobicContact CG1-CD1 4.4Å; V24-L52 HydrophobicContact CG2-CD1 4.37Å; P25-L52 HydrophobicContact CG-CD2 4.02Å; V48-L52 HydrophobicContact CG1-CD1 3.69Å; V48-L52 WeakPolarHBondContact O-CB 3.42Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 2.7Å; A49-L52 PolarHBondContact O-N 3.18Å; A50-L52 PolarHBondContact O-N 2.95Å; L52-I54 HydrophobicContact CB-CD1 3.96Å; L52-I54 HydrophobicContact CB-CG1 3.92Å; L52-I54 HydrophobicContact CD1-CD1 4.14Å; L52-I54 PolarHBondContact O-N 2.95Å
53D93Very high90.8Very high153 Ų15355 Ų5582%0.81832%0.322SS*.THydrogen-bonded Turntrans53.336.2-176.7-62.2-52.2000113.8A49 A50A49-D53 PolarHBondContact O-N 2.99Å; A49-D53 VanDerWaalsContact O-N 3.17Å; A50-D53 PolarHBondContact O-N 2.87Å
54I90.7Very high90.7Very high12 Ų1251.7 Ų51.76%0.06230%0.295CS..  trans-84.8121.9177.2-57.1170.8000108.7V24 T34 L37 A49 L52 F56V24-I54 HydrophobicContact CG1-CD1 4.27Å; V24-I54 HydrophobicContact CG2-CD1 4.21Å; T34-I54 HydrophobicContact CG2-CD1 3.79Å; T34-I54 HydrophobicContact CG2-CG1 4.06Å; T34-I54 HydrophobicContact CG2-CG2 4.11Å; L37-I54 HydrophobicContact CB-CD1 4.3Å; L37-I54 HydrophobicContact CB-CG2 4.34Å; L37-I54 HydrophobicContact CD1-CD1 4.03Å; L37-I54 HydrophobicContact CD2-CD1 4.44Å; A49-I54 HydrophobicContact CB-CB 4Å; A49-I54 PolarHBondContact O-N 3.07Å; L52-I54 HydrophobicContact CB-CD1 3.96Å; L52-I54 HydrophobicContact CB-CG1 3.92Å; L52-I54 HydrophobicContact CD1-CD1 4.14Å; L52-I54 PolarHBondContact O-N 2.95Å; I54-F56 PolarHBondContact O-N 3.16Å; I54-F56 VanDerWaalsContact O-N 3.14Å
55P92.1Very high91Very high93 Ų9348.7 Ų48.760%0.60428%0.281SS*.SBendtrans-73.9-10.2-16826.8-33.5000114.8K35K35-P55 HydrophobicContact CD-CG 4.05Å; K35-P55 WeakPolarHBondContact O-CD 3.41Å; K35-P55 VanDerWaalsContact O-CG 3.32Å; K35-P55 WeakPolarHBondContact O-CG 3.22Å
56F92.1Very high91.2Very high43 Ų4354.9 Ų54.919%0.18931%0.314CS..  trans-144135.6178.9-171.3-117.4000112.7K35 A36 L37 I54 A58 E63 V64 R67K35-F56 PolarHBondContact O-N 2.84Å; A36-F56 CarbonylContact C-O 3.53Å; A36-F56 VanDerWaalsContact CA-O 3.25Å; A36-F56 WeakPolarHBondContact CA-O 3.04Å; A36-F56 HydrophobicContact CB-CB 4.09Å; A36-F56 HydrophobicContact CB-CD1 3.9Å; L37-F56 PolarHBondContact N-O 3.07Å; I54-F56 PolarHBondContact O-N 3.16Å; I54-F56 VanDerWaalsContact O-N 3.14Å; F56-A58 HydrophobicContact CE1-CB 3.74Å; F56-A58 HydrophobicContact CZ-CB 3.8Å; F56-E63 HydrophobicContact CE1-CB 4.08Å; F56-E63 HydrophobicContact CZ-CB 4.02Å; F56-V64 HydrophobicContact CD1-CG2 4.23Å; F56-V64 HydrophobicContact CE1-CG2 3.94Å; F56-R67 HydrophobicContact CD1-CG 4.31Å; F56-R67 VanDerWaalsContact CD1-NH1 3.3Å; F56-R67 HydrophobicContact CE1-CG 4.43Å; F56-R67 VanDerWaalsContact CE1-NH1 3.28Å
57A91Very high91.3Very high23 Ų2355 Ų5519%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-132.4136.3173.800000108.6L37 T45 V46 A49L37-A57 WeakPolarHBondContact O-CA 3.31Å; T45-A57 HydrophobicContact CG2-CB 3.78Å; V46-A57 HydrophobicContact CG2-CB 4.02Å; A49-A57 HydrophobicContact CB-CB 3.74Å
58A90.3Very high91.1Very high2 Ų259.2 Ų59.22%0.01732%0.322CS..EExtended strand (participates in β ladder)trans-145.4157.3174.900000111.4L37 W38 F56 E63 V64L37-A58 PolarHBondContact O-N 2.79Å; L37-A58 VanDerWaalsContact O-N 3.12Å; W38-A58 WeakPolarHBondContact CA-O 3.1Å; F56-A58 HydrophobicContact CE1-CB 3.74Å; F56-A58 HydrophobicContact CZ-CB 3.8Å; A58-E63 HydrophobicContact CB-CB 3.98Å; A58-E63 WeakPolarHBondContact CB-OE2 3.46Å; A58-V64 HydrophobicContact CB-CG2 3.75Å
59S88.7Confident91.1Very high53 Ų5362.8 Ų62.837%0.37134%0.338SS..SBendtrans-100.2-12.3169.953.30000113.5W38 T39W38-S59 PolarHBondContact NE1-O 3.48Å; T39-S59 VanDerWaalsContact O-CA 3.28Å; T39-S59 WeakPolarHBondContact O-CA 3.22Å
60C90.3Very high91.1Very high45 Ų4562.6 Ų62.630%0.30434%0.337SS..SBendtrans-94.1123.3167.8-175.70000109.5W38 D62 E63W38-C60 VanDerWaalsContact CD1-C 3.44Å; C60-D62 VanDerWaalsContact C-N 3.27Å; C60-D62 PolarHBondContact O-N 3.27Å; C60-E63 HydrophobicContact CB-CG 3.97Å; C60-E63 PolarHBondContact O-N 3.44Å
61P87.8Confident91Very high28 Ų2862.2 Ų62.218%0.18232%0.324CS..Hα-helixtrans-67-31.6-177.525.4-32.3000112.1W38 E63 V64 L65 L85W38-P61 HydrophobicContact CD2-CB 4.14Å; W38-P61 HydrophobicContact CG-CB 4.29Å; W38-P61 HydrophobicContact CZ2-CB 4.35Å; W38-P61 HydrophobicContact CZ2-CG 4.34Å; W38-P61 VanDerWaalsContact NE1-CD 3.34Å; W38-P61 VanDerWaalsContact NE1-N 3.16Å; P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 3.32Å; P61-V64 WeakPolarHBondContact O-CB 3.37Å; P61-V64 PolarHBondContact O-N 2.93Å; P61-L65 WeakPolarHBondContact O-CG 3.48Å; P61-L65 PolarHBondContact O-N 2.83Å; P61-L85 HydrophobicContact CB-CD2 3.37Å; P61-L85 HydrophobicContact CG-CD2 3.77Å
62D91.6Very high91Very high58 Ų5857.1 Ų57.131%0.3130%0.297SS..Hα-helixtrans-64-32.9-177.8-64.4-14000111.3C60 V64 L65 L66 K88C60-D62 VanDerWaalsContact C-N 3.27Å; C60-D62 PolarHBondContact O-N 3.27Å; D62-V64 PolarHBondContact O-N 2.82Å; D62-L65 PolarHBondContact O-N 2.89Å; D62-L66 VanDerWaalsContact O-CB 3.29Å; D62-L66 WeakPolarHBondContact O-CB 3.29Å; D62-L66 WeakPolarHBondContact O-CG 3.38Å; D62-L66 PolarHBondContact O-N 3.07Å; D62-K88 VanDerWaalsContact CG-NZ 3.31Å; D62-K88 WeakPolarHBondContact OD1-CD 3.33Å; D62-K88 IonicContact OD1-NZ 2.8Å; D62-K88 PolarHBondContact OD1-NZ 2.93Å; D62-K88 IonicContact OD2-NZ 2.98Å; D62-K88 PolarHBondContact OD2-NZ 2.68Å
63E91.8Very high91.1Very high102 Ų10255.7 Ų55.748%0.47729%0.289SS..Hα-helixtrans-62.4-33.4174.6-68.1179.5-156.400112.8F56 A58 C60 P61 R67F56-E63 HydrophobicContact CE1-CB 4.08Å; F56-E63 HydrophobicContact CZ-CB 4.02Å; A58-E63 HydrophobicContact CB-CB 3.98Å; A58-E63 WeakPolarHBondContact CB-OE2 3.46Å; C60-E63 HydrophobicContact CB-CG 3.97Å; C60-E63 PolarHBondContact O-N 3.44Å; P61-E63 VanDerWaalsContact C-N 3.26Å; P61-E63 PolarHBondContact O-N 3.32Å; E63-R67 VanDerWaalsContact O-CG 3.29Å; E63-R67 WeakPolarHBondContact O-CG 3.48Å
64V89.5Confident91Very high2 Ų248.5 Ų48.51%0.01225%0.251CS..Hα-helixtrans-80.1-44.3179-174.60000110.1I14 A36 W38 F56 A58 P61 D62 L66 R67I14-V64 HydrophobicContact CB-CG1 4.3Å; I14-V64 HydrophobicContact CD1-CB 4.2Å; I14-V64 HydrophobicContact CD1-CG1 3.19Å; I14-V64 HydrophobicContact CG1-CG1 3.36Å; I14-V64 HydrophobicContact CG2-CG1 3.97Å; A36-V64 HydrophobicContact CB-CB 4.47Å; A36-V64 HydrophobicContact CB-CG1 3.44Å; A36-V64 VanDerWaalsContact CB-CG1 3.44Å; W38-V64 HydrophobicContact CB-CG2 3.9Å; F56-V64 HydrophobicContact CD1-CG2 4.23Å; F56-V64 HydrophobicContact CE1-CG2 3.94Å; A58-V64 HydrophobicContact CB-CG2 3.75Å; P61-V64 WeakPolarHBondContact O-CB 3.37Å; P61-V64 PolarHBondContact O-N 2.93Å; D62-V64 PolarHBondContact O-N 2.82Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.83Å; V64-R67 PolarHBondContact O-N 2.91Å
65L91.3Very high91Very high8 Ų848.2 Ų48.24%0.04225%0.249CC..Hα-helixtrans-62.2-38.5178.3-70-179.2000112.6I14 P61 D62 R67 V73 L85 K88 A89 I92 K94I14-L65 HydrophobicContact CD1-CD2 4.19Å; P61-L65 WeakPolarHBondContact O-CG 3.48Å; P61-L65 PolarHBondContact O-N 2.83Å; D62-L65 PolarHBondContact O-N 2.89Å; L65-R67 VanDerWaalsContact C-N 3.26Å; L65-R67 PolarHBondContact O-N 3.34Å; L65-V73 HydrophobicContact CD2-CG1 4.05Å; L65-V73 HydrophobicContact CD2-CG2 3.74Å; L65-L85 HydrophobicContact CD1-CD2 4.46Å; L65-K88 HydrophobicContact CD1-CB 3.98Å; L65-A89 HydrophobicContact CD2-CB 3.79Å; L65-I92 HydrophobicContact CB-CD1 3.89Å; L65-I92 WeakPolarHBondContact O-CD1 3.19Å; L65-K94 WeakPolarHBondContact O-CE 3.38Å
66L93.2Very high90.7Very high129 Ų12944.7 Ų44.768%0.67523%0.227SC*.THydrogen-bonded Turntrans-77-5.9-178.1-69.5173.1000114D62 V64 K68D62-L66 VanDerWaalsContact O-CB 3.29Å; D62-L66 WeakPolarHBondContact O-CB 3.29Å; D62-L66 WeakPolarHBondContact O-CG 3.38Å; D62-L66 PolarHBondContact O-N 3.07Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.83Å; L66-K68 PolarHBondContact O-N 2.93Å
67R92.5Very high90.2Very high83 Ų8343.9 Ų43.931%0.31323%0.227SC..  trans-66.1129.3177.3-62.9-146.49394.6-1.3110.8F56 E63 V64 L65 E69 V70 K94F56-R67 HydrophobicContact CD1-CG 4.31Å; F56-R67 VanDerWaalsContact CD1-NH1 3.3Å; F56-R67 HydrophobicContact CE1-CG 4.43Å; F56-R67 VanDerWaalsContact CE1-NH1 3.28Å; E63-R67 VanDerWaalsContact O-CG 3.29Å; E63-R67 WeakPolarHBondContact O-CG 3.48Å; V64-R67 PolarHBondContact O-N 2.91Å; L65-R67 VanDerWaalsContact C-N 3.26Å; L65-R67 PolarHBondContact O-N 3.34Å; R67-E69 IonicContact NE-OE2 2.72Å; R67-E69 PolarHBondContact NE-OE2 3.19Å; R67-E69 PolarHBondContact O-N 2.87Å; R67-V70 HydrophobicContact CB-CG2 4.03Å; R67-V70 PolarHBondContact O-N 3.08Å; R67-K94 PolarHBondContact O-NZ 2.99Å
68K89.9Confident89.8Confident192 Ų19243.8 Ų43.884%0.83523%0.225SC*.SBendtrans-63.9-29.6176.3-68.2-175.3179.5-179.50112L66L66-K68 PolarHBondContact O-N 2.93Å
69E89.3Confident89.5Confident82 Ų8243.7 Ų43.738%0.38322%0.224SC..SBendtrans-65.4-45.5176.1-54.692-124.800110.5R12 K35 R67 Q71R12-E69 VanDerWaalsContact CD-C 3.42Å; R12-E69 WeakPolarHBondContact CD-O 3.13Å; R12-E69 PolarHBondContact NE-O 3.03Å; R12-E69 VanDerWaalsContact NH1-CA 3.31Å; R12-E69 PolarHBondContact NH1-O 2.84Å; K35-E69 HydrophobicContact CG-CB 4.45Å; R67-E69 IonicContact NE-OE2 2.72Å; R67-E69 PolarHBondContact NE-OE2 3.19Å; R67-E69 PolarHBondContact O-N 2.87Å; E69-Q71 PolarHBondContact O-N 3.14Å
70V90.3Very high89.2Confident1 Ų144.8 Ų44.81%0.00623%0.225CC..  trans-63125.9-173177.60000112I14 A36 R67 V73 K94I14-V70 HydrophobicContact CD1-CG1 3.79Å; I14-V70 HydrophobicContact CD1-CG2 4.5Å; I14-V70 HydrophobicContact CG1-CG1 4.03Å; I14-V70 HydrophobicContact CG1-CG2 4.39Å; A36-V70 HydrophobicContact CB-CG2 4.21Å; R67-V70 HydrophobicContact CB-CG2 4.03Å; R67-V70 PolarHBondContact O-N 3.08Å; V70-V73 HydrophobicContact CG1-CG2 4.26Å; V70-K94 WeakPolarHBondContact O-CD 3.34Å; V70-K94 WeakPolarHBondContact O-CE 3.49Å; V70-K94 PolarHBondContact O-NZ 3.26Å
71Q91.6Very high89.1Confident55 Ų5545.1 Ų45.126%0.25722%0.223SC..  trans-110.8-36.4175.6-65.9175.3-5700112.1C10 E69 H95 L347C10-Q71 PolarHBondContact O-OE1 2.68Å; E69-Q71 PolarHBondContact O-N 3.14Å; Q71-H95 WeakPolarHBondContact O-CB 3.46Å; Q71-H95 PolarHBondContact O-CD2 2.75Å; Q71-H95 PolarHBondContact O-N 3.35Å; Q71-L347 HydrophobicContact CB-CD2 4.09Å; Q71-L347 PolarHBondContact NE2-O 3.31Å
72L92.8Very high89.2Confident0 Ų043.9 Ų43.90%022%0.215CC..EExtended strand (participates in β ladder)trans-120.8128.8-177.8173.864000109.8I11 R12 I13 F32 V74 H95 I97 L347I11-L72 HydrophobicContact CG2-CB 4.49Å; I11-L72 HydrophobicContact CG2-CD2 4.26Å; R12-L72 CarbonylContact O-C 3.56Å; R12-L72 PolarHBondContact O-N 3.18Å; R12-L72 VanDerWaalsContact O-N 3.11Å; I13-L72 WeakPolarHBondContact CA-O 3.23Å; I13-L72 HydrophobicContact CG1-CD2 4.18Å; F32-L72 HydrophobicContact CD1-CD2 4.18Å; F32-L72 HydrophobicContact CE1-CD2 4.08Å; L72-V74 HydrophobicContact CD2-CG2 4.46Å; L72-V74 HydrophobicContact CG-CG2 4.33Å; L72-H95 CarbonylContact C-O 3.52Å; L72-H95 WeakPolarHBondContact CA-O 3.37Å; L72-H95 HydrophobicContact CB-CB 4.37Å; L72-H95 HydrophobicContact CD1-CB 3.73Å; L72-I97 HydrophobicContact CD1-CD1 4.12Å; L72-I97 HydrophobicContact CD1-CG1 4.1Å; L72-I97 HydrophobicContact CD2-CD1 4.15Å; L72-L347 HydrophobicContact CB-CD1 4.43Å; L72-L347 HydrophobicContact CB-CD2 4.5Å; L72-L347 HydrophobicContact CD2-CD1 4.39Å
73V92.5Very high89.2Confident5 Ų541.2 Ų41.23%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-104.9123.4176.1-1740000107.9I14 L65 V70 I75 A89 K94 H95 V96 I97I14-V73 HydrophobicContact CB-CG1 4.31Å; I14-V73 HydrophobicContact CD1-CB 4.29Å; I14-V73 HydrophobicContact CD1-CG1 3.83Å; I14-V73 HydrophobicContact CD1-CG2 3.95Å; L65-V73 HydrophobicContact CD2-CG1 4.05Å; L65-V73 HydrophobicContact CD2-CG2 3.74Å; V70-V73 HydrophobicContact CG1-CG2 4.26Å; V73-I75 HydrophobicContact CG1-CD1 4.13Å; V73-I75 HydrophobicContact CG1-CG1 3.62Å; V73-A89 HydrophobicContact CB-CB 4.32Å; V73-A89 HydrophobicContact CG2-CB 3.91Å; V73-K94 HydrophobicContact CG2-CB 3.96Å; V73-K94 HydrophobicContact CG2-CG 4.45Å; V73-H95 PolarHBondContact N-O 3.19Å; V73-V96 HydrophobicContact CB-CG2 4.43Å; V73-V96 WeakPolarHBondContact O-CA 3.36Å; V73-I97 PolarHBondContact O-N 2.79Å
74V91.9Very high89.3Confident2 Ų241.9 Ų41.91%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-106.2112.9171.8-176.50000108.3I13 I14 F23 L72 I97 L332I13-V74 HydrophobicContact CB-CG2 4.46Å; I13-V74 HydrophobicContact CD1-CG2 4.2Å; I13-V74 HydrophobicContact CG1-CG2 4.12Å; I13-V74 HydrophobicContact CG2-CB 3.98Å; I13-V74 HydrophobicContact CG2-CG2 3.7Å; I14-V74 CarbonylContact O-C 3.5Å; I14-V74 WeakPolarHBondContact O-CA 3Å; I14-V74 VanDerWaalsContact O-CB 3.27Å; I14-V74 WeakPolarHBondContact O-CB 3.26Å; I14-V74 PolarHBondContact O-N 2.79Å; F23-V74 HydrophobicContact CE1-CG1 4.42Å; F23-V74 HydrophobicContact CZ-CG1 4.43Å; L72-V74 HydrophobicContact CD2-CG2 4.46Å; L72-V74 HydrophobicContact CG-CG2 4.33Å; V74-I97 CarbonylContact C-O 3.59Å; V74-I97 WeakPolarHBondContact CA-O 3.42Å; V74-I97 HydrophobicContact CG2-CB 4.38Å; V74-L332 HydrophobicContact CG1-CD1 4.22Å; V74-L332 HydrophobicContact CG1-CD2 3.86Å; V74-L332 HydrophobicContact CG1-CG 4.47Å
75I90.4Very high89.4Confident6 Ų642.5 Ų42.53%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-103116.3-171.3-57.1170.4000108.2V73 A77 L85 S86 V96 I97 C98 D99V73-I75 HydrophobicContact CG1-CD1 4.13Å; V73-I75 HydrophobicContact CG1-CG1 3.62Å; I75-A77 HydrophobicContact CG2-CB 4.34Å; I75-L85 HydrophobicContact CD1-CB 3.77Å; I75-L85 HydrophobicContact CG1-CB 4.36Å; I75-L85 HydrophobicContact CG2-CB 4.31Å; I75-L85 HydrophobicContact CG2-CD1 4.21Å; I75-S86 WeakPolarHBondContact CD1-OG 3.37Å; I75-V96 HydrophobicContact CD1-CG1 3.85Å; I75-I97 PolarHBondContact N-O 3.45Å; I75-C98 HydrophobicContact CB-CB 4.49Å; I75-D99 VanDerWaalsContact O-CB 3.22Å; I75-D99 WeakPolarHBondContact O-CB 3.49Å; I75-D99 PolarHBondContact O-N 3.47Å
76T85.2Confident89.6Confident20 Ų2042.1 Ų42.112%0.12321%0.205CC..  trans-129.548.517635.60000109.7P16 L19 D99 L332P16-T76 WeakPolarHBondContact CD-OG1 3.46Å; P16-T76 WeakPolarHBondContact CG-O 3.27Å; P16-T76 WeakPolarHBondContact CG-OG1 3.37Å; L19-T76 HydrophobicContact CD1-CG2 3.9Å; T76-D99 HydrophobicContact CG2-CB 3.47Å; T76-D99 VanDerWaalsContact CG2-CB 3.47Å; T76-L332 HydrophobicContact CG2-CD2 3.45Å; T76-L332 VanDerWaalsContact CG2-CD2 3.45Å
77A82.8Confident89.7Confident25 Ų2538.5 Ų38.521%0.20719%0.186CC..SBendtrans-96.5176179.200000111.4W38 I75 I81 S82W38-A77 HydrophobicContact CZ3-CB 4.35Å; I75-A77 HydrophobicContact CG2-CB 4.34Å; A77-I81 HydrophobicContact CB-CB 4.18Å; A77-I81 HydrophobicContact CB-CG2 4.15Å; A77-S82 VanDerWaalsContact C-OG 3.29Å; A77-S82 PolarHBondContact O-OG 3.28Å
78C82.8Confident89.8Confident21 Ų2138.7 Ų38.714%0.14219%0.189CC..  trans-61149.1168.768.30000110.4M80 I81 S82 W170C78-M80 PolarHBondContact O-N 3.24Å; C78-I81 PolarHBondContact O-N 3.44Å; C78-S82 PolarHBondContact O-N 3.14Å; C78-S82 PolarHBondContact O-OG 3.19Å; C78-W170 HydrophobicContact CB-CB 4.43Å; C78-W170 VanDerWaalsContact CB-CD1 3.49Å; C78-W170 HydrophobicContact CB-CD2 3.95Å; C78-W170 HydrophobicContact CB-CG 3.73Å
79P84.4Confident90Very high0 Ų029.6 Ų29.60%015%0.149CC..Hα-helixtrans-56.4-30.9-173.916.9-30.3000113.8I81 S83 P101 L104 W170 S176P79-I81 VanDerWaalsContact C-N 3.27Å; P79-I81 PolarHBondContact O-N 3.33Å; P79-S83 PolarHBondContact O-N 3.05Å; P79-P101 HydrophobicContact CB-CB 4.28Å; P79-P101 HydrophobicContact CB-CG 4.17Å; P79-P101 WeakPolarHBondContact CB-O 3.37Å; P79-P101 HydrophobicContact CG-CG 3.94Å; P79-L104 HydrophobicContact CB-CD2 3.82Å; P79-L104 HydrophobicContact CB-CG 4.28Å; P79-L104 HydrophobicContact CG-CD2 3.64Å; P79-W170 HydrophobicContact CG-CE3 4.19Å; P79-W170 HydrophobicContact CG-CZ3 4.03Å; P79-S176 VanDerWaalsContact CG-O 3.31Å; P79-S176 WeakPolarHBondContact CG-O 3.49Å
80M81.6Confident90.3Very high77 Ų7725.7 Ų25.738%0.37913%0.131SC..Hα-helixtrans-56.3-39.6174-76-171.4-76.800113.4C78 L104C78-M80 PolarHBondContact O-N 3.24Å; M80-L104 HydrophobicContact CB-CD1 4.41Å; M80-L104 HydrophobicContact CG-CD1 3.26Å; M80-L104 HydrophobicContact CG-CD2 4.4Å; M80-L104 HydrophobicContact CG-CG 3.9Å; M80-L104 HydrophobicContact SD-CD1 4.22Å
81I87.5Confident90.6Very high52 Ų5227.6 Ų27.627%0.26715%0.151SC..Hα-helixtrans-94.3-35.4-175.9-62.9174.6000110W38 A77 C78 P79 S83 Q84 L85W38-I81 HydrophobicContact CH2-CD1 4.37Å; W38-I81 HydrophobicContact CH2-CG2 3.92Å; W38-I81 HydrophobicContact CZ3-CG2 4.41Å; A77-I81 HydrophobicContact CB-CB 4.18Å; A77-I81 HydrophobicContact CB-CG2 4.15Å; C78-I81 PolarHBondContact O-N 3.44Å; P79-I81 VanDerWaalsContact C-N 3.27Å; P79-I81 PolarHBondContact O-N 3.33Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 2.79Å; I81-Q84 PolarHBondContact O-N 2.82Å; I81-L85 HydrophobicContact CG2-CD1 3.55Å; I81-L85 HydrophobicContact CG2-CD2 4.46Å; I81-L85 HydrophobicContact CG2-CG 3.69Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.8Å
82S89.7Confident90.7Very high1 Ų128.9 Ų28.91%0.00716%0.159CC..Hα-helixtrans-56.9-41.3-176.9-67.10000113.1A77 C78 S86 S102A77-S82 VanDerWaalsContact C-OG 3.29Å; A77-S82 PolarHBondContact O-OG 3.28Å; C78-S82 PolarHBondContact O-N 3.14Å; C78-S82 PolarHBondContact O-OG 3.19Å; S82-S86 WeakPolarHBondContact O-CB 3.26Å; S82-S86 PolarHBondContact O-N 3.02Å; S82-S86 PolarHBondContact O-OG 3.42Å; S82-S102 WeakPolarHBondContact CB-O 3.24Å
83S92.5Very high90.7Very high2 Ų230.6 Ų30.61%0.01418%0.176CC..Hα-helixtrans-64.4-47177.862.50000112P79 I81 S86 I87 S102 E108 M112P79-S83 PolarHBondContact O-N 3.05Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 2.79Å; S83-S86 PolarHBondContact O-N 2.83Å; S83-I87 WeakPolarHBondContact O-CD1 3.38Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 2.88Å; S83-S102 PolarHBondContact N-O 2.63Å; S83-E108 PolarHBondContact OG-OE2 3.38Å; S83-M112 VanDerWaalsContact CA-SD 3.6Å; S83-M112 VanDerWaalsContact CB-SD 3.52Å
84Q92.8Very high90.8Very high117 Ų11731.7 Ų31.755%0.54718%0.181SC..Hα-helixtrans-63.3-44.9178.8-60.3-178.56.200112.2I81 S86 I87 K88I81-Q84 PolarHBondContact O-N 2.82Å; Q84-S86 VanDerWaalsContact C-N 3.34Å; Q84-I87 PolarHBondContact O-N 3.44Å; Q84-K88 WeakPolarHBondContact O-CB 3.26Å; Q84-K88 WeakPolarHBondContact O-CG 3.49Å; Q84-K88 PolarHBondContact O-N 2.97Å
85L93Very high90.9Very high14 Ų1432.9 Ų32.97%0.07319%0.186CC..Hα-helixtrans-64.8-39.1177.8-68.6-176.6000111.9W38 P61 L65 I75 I81 K88 A89W38-L85 HydrophobicContact CE3-CD1 4.35Å; W38-L85 HydrophobicContact CH2-CD1 4.4Å; W38-L85 HydrophobicContact CZ3-CD1 3.97Å; P61-L85 HydrophobicContact CB-CD2 3.37Å; P61-L85 HydrophobicContact CG-CD2 3.77Å; L65-L85 HydrophobicContact CD1-CD2 4.46Å; I75-L85 HydrophobicContact CD1-CB 3.77Å; I75-L85 HydrophobicContact CG1-CB 4.36Å; I75-L85 HydrophobicContact CG2-CB 4.31Å; I75-L85 HydrophobicContact CG2-CD1 4.21Å; I81-L85 HydrophobicContact CG2-CD1 3.55Å; I81-L85 HydrophobicContact CG2-CD2 4.46Å; I81-L85 HydrophobicContact CG2-CG 3.69Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 2.8Å; L85-K88 PolarHBondContact O-N 3.45Å; L85-A89 WeakPolarHBondContact O-CB 3.15Å; L85-A89 PolarHBondContact O-N 2.78Å
86S94.5Very high91.1Very high0 Ų032.6 Ų32.60%018%0.184CC..Hα-helixtrans-63.2-49178.1-58.80000110.7I75 S82 S83 Q84 A89 L90 C98 M112I75-S86 WeakPolarHBondContact CD1-OG 3.37Å; S82-S86 WeakPolarHBondContact O-CB 3.26Å; S82-S86 PolarHBondContact O-N 3.02Å; S82-S86 PolarHBondContact O-OG 3.42Å; S83-S86 PolarHBondContact O-N 2.83Å; Q84-S86 VanDerWaalsContact C-N 3.34Å; S86-A89 PolarHBondContact O-N 2.84Å; S86-L90 WeakPolarHBondContact O-CB 3.24Å; S86-L90 WeakPolarHBondContact O-CD1 3.47Å; S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.19Å; S86-L90 PolarHBondContact O-N 3Å; S86-C98 WeakPolarHBondContact OG-CB 3.18Å; S86-C98 PolarHBondContact OG-SG 2.8Å; S86-M112 WeakPolarHBondContact OG-CE 3.32Å
87I95.5Very high91.5Very high53 Ų5331.6 Ų31.627%0.27218%0.179SC..Hα-helixtrans-60.8-47.4178.3-66.6162.1000110.6S83 Q84 G91 R111 M112 A115S83-I87 WeakPolarHBondContact O-CD1 3.38Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.45Å; S83-I87 PolarHBondContact O-N 2.88Å; Q84-I87 PolarHBondContact O-N 3.44Å; I87-G91 PolarHBondContact O-N 2.82Å; I87-R111 HydrophobicContact CD1-CB 3.68Å; I87-M112 HydrophobicContact CD1-CG 4.1Å; I87-M112 HydrophobicContact CG1-CG 3.92Å; I87-A115 HydrophobicContact CB-CB 4.46Å; I87-A115 HydrophobicContact CG1-CB 4.31Å; I87-A115 HydrophobicContact CG2-CB 4.28Å
88K94.8Very high92Very high88 Ų8830.4 Ų30.438%0.38317%0.169SC..Hα-helixtrans-60-50.7178.2-78.5-178.3167.5-165.70111.8D62 L65 Q84 L85 G91 I92D62-K88 VanDerWaalsContact CG-NZ 3.31Å; D62-K88 WeakPolarHBondContact OD1-CD 3.33Å; D62-K88 IonicContact OD1-NZ 2.8Å; D62-K88 PolarHBondContact OD1-NZ 2.93Å; D62-K88 IonicContact OD2-NZ 2.98Å; D62-K88 PolarHBondContact OD2-NZ 2.68Å; L65-K88 HydrophobicContact CD1-CB 3.98Å; Q84-K88 WeakPolarHBondContact O-CB 3.26Å; Q84-K88 WeakPolarHBondContact O-CG 3.49Å; Q84-K88 PolarHBondContact O-N 2.97Å; L85-K88 PolarHBondContact O-N 3.45Å; K88-G91 PolarHBondContact O-N 2.79Å; K88-I92 WeakPolarHBondContact O-CG1 3.14Å; K88-I92 PolarHBondContact O-N 3.35Å; K88-I92 VanDerWaalsContact O-N 3.1Å
89A94.7Very high92.3Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-61.9-45.6-177.600000112.2L65 V73 L85 S86 I92 G93 K94 V96L65-A89 HydrophobicContact CD2-CB 3.79Å; V73-A89 HydrophobicContact CB-CB 4.32Å; V73-A89 HydrophobicContact CG2-CB 3.91Å; L85-A89 WeakPolarHBondContact O-CB 3.15Å; L85-A89 PolarHBondContact O-N 2.78Å; S86-A89 PolarHBondContact O-N 2.84Å; A89-I92 WeakPolarHBondContact O-CG1 3.22Å; A89-I92 PolarHBondContact O-N 3.11Å; A89-G93 PolarHBondContact O-N 3.21Å; A89-K94 HydrophobicContact CB-CB 4.34Å; A89-K94 WeakPolarHBondContact O-CB 3.25Å; A89-K94 PolarHBondContact O-N 2.91Å; A89-V96 HydrophobicContact CB-CG2 3.52Å
90L96Very high92.4Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-63-44.2174.7-70166.4000111.1S86 I92 G93 V96 A115 A116 Y119 L122 A124 F376S86-L90 WeakPolarHBondContact O-CB 3.24Å; S86-L90 WeakPolarHBondContact O-CD1 3.47Å; S86-L90 VanDerWaalsContact O-CG 3.29Å; S86-L90 WeakPolarHBondContact O-CG 3.19Å; S86-L90 PolarHBondContact O-N 3Å; L90-I92 PolarHBondContact O-N 2.89Å; L90-G93 PolarHBondContact O-N 3.44Å; L90-V96 HydrophobicContact CD2-CB 4.11Å; L90-V96 HydrophobicContact CD2-CG2 3.92Å; L90-V96 HydrophobicContact CG-CB 4.22Å; L90-V96 HydrophobicContact CG-CG2 3.76Å; L90-A115 HydrophobicContact CB-CB 4.21Å; L90-A115 HydrophobicContact CD1-CB 4.15Å; L90-A116 HydrophobicContact CD1-CB 4.03Å; L90-Y119 VanDerWaalsContact O-CD2 3.28Å; L90-Y119 WeakPolarHBondContact O-CD2 2.98Å; L90-L122 HydrophobicContact CD2-CB 4.41Å; L90-L122 HydrophobicContact CD2-CD1 4.21Å; L90-A124 HydrophobicContact CD2-CB 3.86Å; L90-F376 HydrophobicContact CD1-CD2 4.46Å; L90-F376 HydrophobicContact CD1-CE2 3.86Å; L90-F376 HydrophobicContact CD1-CZ 4.45Å
91G95.1Very high92.7Very high41 Ų4127.1 Ų27.142%0.42315%0.152SC..Hα-helixtrans-59.8-29.4-179.900000114.3I87 K88I87-G91 PolarHBondContact O-N 2.82Å; K88-G91 PolarHBondContact O-N 2.79Å
92I94.1Very high92.9Very high82 Ų8225 Ų2542%0.42114%0.142SC..THydrogen-bonded Turntrans-96.412.817567.1161.8000113.7L65 K88 A89 L90 K94L65-I92 HydrophobicContact CB-CD1 3.89Å; L65-I92 WeakPolarHBondContact O-CD1 3.19Å; K88-I92 WeakPolarHBondContact O-CG1 3.14Å; K88-I92 PolarHBondContact O-N 3.35Å; K88-I92 VanDerWaalsContact O-N 3.1Å; A89-I92 WeakPolarHBondContact O-CG1 3.22Å; A89-I92 PolarHBondContact O-N 3.11Å; L90-I92 PolarHBondContact O-N 2.89Å; I92-K94 HydrophobicContact CD1-CG 3.93Å; I92-K94 HydrophobicContact CG1-CG 3.88Å
93G93.4Very high93Very high36 Ų3625.3 Ų25.337%0.37114%0.144SC..THydrogen-bonded Turntrans82.825.3173.300000115.6A89 L90 L122A89-G93 PolarHBondContact O-N 3.21Å; L90-G93 PolarHBondContact O-N 3.44Å; G93-L122 WeakPolarHBondContact O-CD2 3.33Å
94K93.9Very high93Very high28 Ų2827.2 Ų27.212%0.12215%0.154CC..  trans-99.2146177-53.9-70.3-173.7171.90111.2L65 R67 V70 V73 A89 I92L65-K94 WeakPolarHBondContact O-CE 3.38Å; R67-K94 PolarHBondContact O-NZ 2.99Å; V70-K94 WeakPolarHBondContact O-CD 3.34Å; V70-K94 WeakPolarHBondContact O-CE 3.49Å; V70-K94 PolarHBondContact O-NZ 3.26Å; V73-K94 HydrophobicContact CG2-CB 3.96Å; V73-K94 HydrophobicContact CG2-CG 4.45Å; A89-K94 HydrophobicContact CB-CB 4.34Å; A89-K94 WeakPolarHBondContact O-CB 3.25Å; A89-K94 PolarHBondContact O-N 2.91Å; I92-K94 HydrophobicContact CD1-CG 3.93Å; I92-K94 HydrophobicContact CG1-CG 3.88Å
95H94.8Very high93.1Very high27 Ų2723.6 Ų23.613%0.12514%0.141CC..EExtended strand (participates in β ladder)trans-69144.3169.1-59.5-92.4000109.6Q71 L72 V73 V123 L347Q71-H95 WeakPolarHBondContact O-CB 3.46Å; Q71-H95 PolarHBondContact O-CD2 2.75Å; Q71-H95 PolarHBondContact O-N 3.35Å; L72-H95 CarbonylContact C-O 3.52Å; L72-H95 WeakPolarHBondContact CA-O 3.37Å; L72-H95 HydrophobicContact CB-CB 4.37Å; L72-H95 HydrophobicContact CD1-CB 3.73Å; V73-H95 PolarHBondContact N-O 3.19Å; H95-V123 CarbonylContact C-O 3.57Å; H95-V123 WeakPolarHBondContact CA-O 3.27Å; H95-V123 HydrophobicContact CB-CB 4.09Å; H95-V123 WeakPolarHBondContact ND1-CB 3.48Å; H95-V123 WeakPolarHBondContact ND1-CG2 3.35Å; H95-V123 PolarHBondContact ND1-N 3.27Å; H95-L347 HydrophobicContact CB-CD2 4.18Å; H95-L347 WeakPolarHBondContact CD2-CD2 3.4Å
96V94.4Very high93.2Very high0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-131.7134.2-176.9174.80000111.2V73 I75 A89 L90 C98 V123 L125 F376V73-V96 HydrophobicContact CB-CG2 4.43Å; V73-V96 WeakPolarHBondContact O-CA 3.36Å; I75-V96 HydrophobicContact CD1-CG1 3.85Å; A89-V96 HydrophobicContact CB-CG2 3.52Å; L90-V96 HydrophobicContact CD2-CB 4.11Å; L90-V96 HydrophobicContact CD2-CG2 3.92Å; L90-V96 HydrophobicContact CG-CB 4.22Å; L90-V96 HydrophobicContact CG-CG2 3.76Å; V96-C98 HydrophobicContact CG1-CB 4.11Å; V96-V123 PolarHBondContact N-O 2.9Å; V96-L125 PolarHBondContact O-N 2.84Å; V96-F376 HydrophobicContact CG1-CZ 4.18Å
97I94.1Very high93.3Very high0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-119.2115.5158.4-64.9165.4000106.6L72 V73 V74 I75 L125 L332 L335 L336 L343L72-I97 HydrophobicContact CD1-CD1 4.12Å; L72-I97 HydrophobicContact CD1-CG1 4.1Å; L72-I97 HydrophobicContact CD2-CD1 4.15Å; V73-I97 PolarHBondContact O-N 2.79Å; V74-I97 CarbonylContact C-O 3.59Å; V74-I97 WeakPolarHBondContact CA-O 3.42Å; V74-I97 HydrophobicContact CG2-CB 4.38Å; I75-I97 PolarHBondContact N-O 3.45Å; I97-L125 WeakPolarHBondContact CA-O 3.25Å; I97-L125 HydrophobicContact CG1-CB 4.18Å; I97-L125 HydrophobicContact CG1-CD1 4.41Å; I97-L332 HydrophobicContact CG2-CD1 3.88Å; I97-L335 HydrophobicContact CD1-CD2 3.98Å; I97-L335 HydrophobicContact CG2-CD2 4.02Å; I97-L336 HydrophobicContact CD1-CD2 3.48Å; I97-L336 VanDerWaalsContact CD1-CD2 3.48Å; I97-L343 HydrophobicContact CD1-CD1 4.17Å
98C92.5Very high93.2Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-109.9118.1-176.9-174.60000111I75 S86 V96 L125 V126 G127 F376I75-C98 HydrophobicContact CB-CB 4.49Å; S86-C98 WeakPolarHBondContact OG-CB 3.18Å; S86-C98 PolarHBondContact OG-SG 2.8Å; V96-C98 HydrophobicContact CG1-CB 4.11Å; C98-L125 PolarHBondContact N-O 3.4Å; C98-V126 CarbonylContact O-C 3.58Å; C98-V126 VanDerWaalsContact O-CA 3.29Å; C98-V126 WeakPolarHBondContact O-CA 3.39Å; C98-G127 PolarHBondContact O-N 3.32Å; C98-F376 HydrophobicContact CB-CE1 4.06Å; C98-F376 HydrophobicContact CB-CZ 3.98Å
99D88.4Confident93.3Very high12 Ų1227.2 Ų27.26%0.06416%0.158CC..  trans-67.1163.9178-162.521.9000112.3I75 T76 S102 H328I75-D99 VanDerWaalsContact O-CB 3.22Å; I75-D99 WeakPolarHBondContact O-CB 3.49Å; I75-D99 PolarHBondContact O-N 3.47Å; T76-D99 HydrophobicContact CG2-CB 3.47Å; T76-D99 VanDerWaalsContact CG2-CB 3.47Å; D99-S102 WeakPolarHBondContact O-CA 3.48Å; D99-H328 IonicContact OD2-ND1 3.36Å
100V87.7Confident93.4Very high6 Ų628.5 Ų28.54%0.03617%0.166CC..SBendtrans-104.8146-177-67.90000112.1V126 F128 H187 H328V100-V126 HydrophobicContact CG1-CG1 3.33Å; V100-F128 HydrophobicContact CB-CE1 4.33Å; V100-F128 HydrophobicContact CG1-CD1 3.96Å; V100-F128 HydrophobicContact CG1-CE1 3.67Å; V100-F128 HydrophobicContact CG1-CE2 4.29Å; V100-F128 HydrophobicContact CG1-CG 4.39Å; V100-F128 HydrophobicContact CG1-CZ 3.85Å; V100-F128 HydrophobicContact CG2-CD1 4.26Å; V100-F128 HydrophobicContact CG2-CE1 4.37Å; V100-H187 WeakPolarHBondContact CG2-CE1 3.22Å; V100-H187 WeakPolarHBondContact CG2-NE2 3.48Å; V100-H328 PolarHBondContact O-CE1 3.5Å; V100-H328 VanDerWaalsContact O-CE1 3.29Å
101P87.8Confident93.4Very high11 Ų1135 Ų357%0.07119%0.19CC..SBendcis-69.3132-3.528.7-34.4000112.2P79 W170P79-P101 HydrophobicContact CB-CB 4.28Å; P79-P101 HydrophobicContact CB-CG 4.17Å; P79-P101 WeakPolarHBondContact CB-O 3.37Å; P79-P101 HydrophobicContact CG-CG 3.94Å; P101-W170 HydrophobicContact CG-CH2 3.84Å; P101-W170 HydrophobicContact CG-CZ3 4Å
102S90.5Very high93.4Very high8 Ų833 Ų336%0.05617%0.17CC..  trans-87.1-18.5-169.7610000114.1S82 S83 D99S82-S102 WeakPolarHBondContact CB-O 3.24Å; S83-S102 PolarHBondContact N-O 2.63Å; D99-S102 WeakPolarHBondContact O-CA 3.48Å
103C92.9Very high93.5Very high6 Ų629.7 Ų29.74%0.04115%0.153CC..  trans-157.2163.3-177.458.90000111.9E108 M112C103-E108 HydrophobicContact CB-CB 3.73Å; C103-M112 HydrophobicContact CB-SD 3.76Å
104L92.9Very high93.6Very high42 Ų4230 Ų3022%0.2215%0.149CC..SBendtrans-90.5-27.8177.8-74.2-169.5000114.4P79 M80 E108 S176 K383P79-L104 HydrophobicContact CB-CD2 3.82Å; P79-L104 HydrophobicContact CB-CG 4.28Å; P79-L104 HydrophobicContact CG-CD2 3.64Å; M80-L104 HydrophobicContact CB-CD1 4.41Å; M80-L104 HydrophobicContact CG-CD1 3.26Å; M80-L104 HydrophobicContact CG-CD2 4.4Å; M80-L104 HydrophobicContact CG-CG 3.9Å; M80-L104 HydrophobicContact SD-CD1 4.22Å; L104-E108 PolarHBondContact N-OE2 3.25Å; L104-S176 VanDerWaalsContact CD2-C 3.43Å; L104-K383 VanDerWaalsContact C-CE 3.47Å; L104-K383 WeakPolarHBondContact O-CE 3.4Å; L104-K383 PolarHBondContact O-NZ 3.35Å
105S94.1Very high93.7Very high42 Ų4229 Ų2929%0.29415%0.146SC..SBendtrans-137.5157.6-170.267.50000112.2K107 E108 A109S105-K107 PolarHBondContact O-N 3.4Å; S105-E108 PolarHBondContact O-N 3.28Å; S105-E108 VanDerWaalsContact O-N 3.16Å; S105-E108 WeakPolarHBondContact OG-CG 3.48Å; S105-E108 PolarHBondContact OG-N 3.06Å; S105-A109 PolarHBondContact O-N 2.95Å
106L95.3Very high93.7Very high50 Ų5028.4 Ų28.426%0.26215%0.146SC..Hα-helixtrans-57.1-36.4170.9-77.2171000111.9E108 A109 V110 L380 K383 A384L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 2.82Å; L106-A109 PolarHBondContact O-N 3.14Å; L106-V110 WeakPolarHBondContact O-CG2 3.16Å; L106-V110 PolarHBondContact O-N 3.31Å; L106-L380 HydrophobicContact CD2-CD1 3.95Å; L106-K383 HydrophobicContact CD2-CB 4.16Å; L106-K383 HydrophobicContact CD2-CG 3.87Å; L106-K383 HydrophobicContact CG-CG 4.22Å; L106-A384 HydrophobicContact CD2-CB 3.9Å
107K95.5Very high93.7Very high137 Ų13733.1 Ų33.160%0.59617%0.168SC*.Hα-helixtrans-61.2-41.6176.3-175176.1-176.6174.10112.4S105 R111S105-K107 PolarHBondContact O-N 3.4Å; K107-R111 WeakPolarHBondContact O-CG 3.31Å; K107-R111 PolarHBondContact O-N 3.19Å
108E95.1Very high93.7Very high40 Ų4040.5 Ų40.519%0.18720%0.197CC..Hα-helixtrans-67.8-42.5174.6-76173.9-160.800111.8S83 C103 L104 S105 L106 V110 R111 M112S83-E108 PolarHBondContact OG-OE2 3.38Å; C103-E108 HydrophobicContact CB-CB 3.73Å; L104-E108 PolarHBondContact N-OE2 3.25Å; S105-E108 PolarHBondContact O-N 3.28Å; S105-E108 VanDerWaalsContact O-N 3.16Å; S105-E108 WeakPolarHBondContact OG-CG 3.48Å; S105-E108 PolarHBondContact OG-N 3.06Å; L106-E108 VanDerWaalsContact C-N 3.34Å; L106-E108 PolarHBondContact O-N 2.82Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.86Å; E108-R111 PolarHBondContact O-N 3.29Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-M112 VanDerWaalsContact O-CG 3.3Å; E108-M112 WeakPolarHBondContact O-CG 3.36Å; E108-M112 PolarHBondContact O-N 3.44Å
109A96Very high93.6Very high3 Ų344.1 Ų44.13%0.02521%0.212CC..Hα-helixtrans-58.2-43.6176.200000112.1S105 L106 R111 M112 L113 L380S105-A109 PolarHBondContact O-N 2.95Å; L106-A109 PolarHBondContact O-N 3.14Å; A109-R111 PolarHBondContact O-N 3.28Å; A109-M112 PolarHBondContact O-N 2.96Å; A109-L113 PolarHBondContact O-N 3.23Å; A109-L380 HydrophobicContact CB-CB 4.24Å; A109-L380 HydrophobicContact CB-CD1 3.53Å
110V96.6Very high93.6Very high28 Ų2848.8 Ų48.817%0.1724%0.242CC..Hα-helixtrans-59.4-47.1174.6171.30000110.8L106 E108 M112 L113 S114 L380 P404L106-V110 WeakPolarHBondContact O-CG2 3.16Å; L106-V110 PolarHBondContact O-N 3.31Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 2.86Å; V110-M112 VanDerWaalsContact C-N 3.32Å; V110-M112 PolarHBondContact O-N 3.37Å; V110-L113 PolarHBondContact O-N 3.22Å; V110-S114 PolarHBondContact O-N 3.13Å; V110-S114 PolarHBondContact O-OG 2.72Å; V110-S114 VanDerWaalsContact O-OG 3.08Å; V110-L380 HydrophobicContact CG2-CD1 3.81Å; V110-L380 HydrophobicContact CG2-CD2 4.23Å; V110-P404 HydrophobicContact CG2-CB 3.99Å; V110-P404 HydrophobicContact CG2-CG 3.47Å; V110-P404 VanDerWaalsContact CG2-CG 3.47Å
111R96.1Very high93.7Very high135 Ų13553.9 Ų53.951%0.50927%0.266SS..Hα-helixtrans-61.7-38.8178.5-71.9172.7173.3-178.6-6.9112.9I87 K107 E108 A109 S114 A115I87-R111 HydrophobicContact CD1-CB 3.68Å; K107-R111 WeakPolarHBondContact O-CG 3.31Å; K107-R111 PolarHBondContact O-N 3.19Å; E108-R111 PolarHBondContact O-N 3.29Å; E108-R111 VanDerWaalsContact O-N 3.16Å; A109-R111 PolarHBondContact O-N 3.28Å; R111-S114 PolarHBondContact O-N 3.46Å; R111-A115 WeakPolarHBondContact O-CB 2.8Å; R111-A115 PolarHBondContact O-N 2.88Å
112M95.7Very high94Very high1 Ų154.4 Ų54.41%0.00527%0.268CS..Hα-helixtrans-65.7-42.6176-66.616980.400111.3S83 S86 I87 C103 E108 A109 V110 A115 A116 F376S83-M112 VanDerWaalsContact CA-SD 3.6Å; S83-M112 VanDerWaalsContact CB-SD 3.52Å; S86-M112 WeakPolarHBondContact OG-CE 3.32Å; I87-M112 HydrophobicContact CD1-CG 4.1Å; I87-M112 HydrophobicContact CG1-CG 3.92Å; C103-M112 HydrophobicContact CB-SD 3.76Å; E108-M112 VanDerWaalsContact O-CG 3.3Å; E108-M112 WeakPolarHBondContact O-CG 3.36Å; E108-M112 PolarHBondContact O-N 3.44Å; A109-M112 PolarHBondContact O-N 2.96Å; V110-M112 VanDerWaalsContact C-N 3.32Å; V110-M112 PolarHBondContact O-N 3.37Å; M112-A115 PolarHBondContact O-N 2.81Å; M112-A116 WeakPolarHBondContact O-CB 3.43Å; M112-A116 PolarHBondContact O-N 3.2Å; M112-F376 HydrophobicContact CB-CD1 3.8Å; M112-F376 HydrophobicContact CB-CE1 4.17Å; M112-F376 HydrophobicContact CB-CG 4.31Å; M112-F376 HydrophobicContact CE-CD1 3.84Å; M112-F376 HydrophobicContact CE-CE1 3.24Å; M112-F376 HydrophobicContact CE-CZ 4.13Å
113L96.3Very high94.1Very high12 Ų1254.3 Ų54.36%0.06327%0.267CS..Hα-helixtrans-62.1-47174.5177.758.8000111.5A109 V110 A115 A116 Q117 F376 E377 L380A109-L113 PolarHBondContact O-N 3.23Å; V110-L113 PolarHBondContact O-N 3.22Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 2.92Å; L113-A116 WeakPolarHBondContact O-CB 3.39Å; L113-A116 PolarHBondContact O-N 3.5Å; L113-A116 VanDerWaalsContact O-N 3.13Å; L113-Q117 HydrophobicContact CD1-CG 4.07Å; L113-Q117 HydrophobicContact CG-CG 4.44Å; L113-Q117 WeakPolarHBondContact O-CG 2.85Å; L113-Q117 PolarHBondContact O-N 3.46Å; L113-F376 HydrophobicContact CB-CB 4.19Å; L113-F376 HydrophobicContact CD1-CB 4.15Å; L113-E377 HydrophobicContact CD1-CB 4.15Å; L113-E377 HydrophobicContact CD2-CG 4.38Å; L113-L380 HydrophobicContact CD2-CD2 3.73Å
114S96.1Very high94.2Very high41 Ų4154.7 Ų54.729%0.28727%0.271SS..Hα-helixtrans-58.8-43.6176.3-59.20000111.9V110 R111 A116 Q117 Y118V110-S114 PolarHBondContact O-N 3.13Å; V110-S114 PolarHBondContact O-OG 2.72Å; V110-S114 VanDerWaalsContact O-OG 3.08Å; R111-S114 PolarHBondContact O-N 3.46Å; S114-A116 VanDerWaalsContact C-N 3.3Å; S114-A116 PolarHBondContact O-N 2.84Å; S114-Q117 PolarHBondContact O-N 3.37Å; S114-Y118 PolarHBondContact O-N 3.41Å
115A95.6Very high94.4Very high7 Ų753.1 Ų53.16%0.05826%0.262CS..Hα-helixtrans-62.9-36.7176.300000112.5I87 L90 R111 M112 L113I87-A115 HydrophobicContact CB-CB 4.46Å; I87-A115 HydrophobicContact CG1-CB 4.31Å; I87-A115 HydrophobicContact CG2-CB 4.28Å; L90-A115 HydrophobicContact CB-CB 4.21Å; L90-A115 HydrophobicContact CD1-CB 4.15Å; R111-A115 WeakPolarHBondContact O-CB 2.8Å; R111-A115 PolarHBondContact O-N 2.88Å; M112-A115 PolarHBondContact O-N 2.81Å; L113-A115 VanDerWaalsContact C-N 3.33Å; L113-A115 PolarHBondContact O-N 2.92Å
116A95.1Very high94.4Very high16 Ų1651.1 Ų51.113%0.13225%0.248CC..Hα-helixtrans-69.9-38.917600000112.5L90 M112 L113 S114 Y118 A124 F376L90-A116 HydrophobicContact CD1-CB 4.03Å; M112-A116 WeakPolarHBondContact O-CB 3.43Å; M112-A116 PolarHBondContact O-N 3.2Å; L113-A116 WeakPolarHBondContact O-CB 3.39Å; L113-A116 PolarHBondContact O-N 3.5Å; L113-A116 VanDerWaalsContact O-N 3.13Å; S114-A116 VanDerWaalsContact C-N 3.3Å; S114-A116 PolarHBondContact O-N 2.84Å; A116-Y118 VanDerWaalsContact C-N 3.32Å; A116-A124 HydrophobicContact CB-CB 3.58Å; A116-F376 HydrophobicContact CB-CB 4.49Å; A116-F376 HydrophobicContact CB-CD2 3.61Å; A116-F376 HydrophobicContact CB-CE2 4.31Å; A116-F376 HydrophobicContact CB-CG 4.4Å
117Q94.3Very high94.2Very high98 Ų9848.7 Ų48.746%0.45824%0.236SC..Hα-helixtrans-70.7-27.5178.6-72.9174.9-31.300112.8L113 S114 Y119L113-Q117 HydrophobicContact CD1-CG 4.07Å; L113-Q117 HydrophobicContact CG-CG 4.44Å; L113-Q117 WeakPolarHBondContact O-CG 2.85Å; L113-Q117 PolarHBondContact O-N 3.46Å; S114-Q117 PolarHBondContact O-N 3.37Å; Q117-Y119 VanDerWaalsContact C-N 3.27Å; Q117-Y119 PolarHBondContact O-N 2.86Å
118Y93.7Very high94.1Very high156 Ų15642.3 Ų42.361%0.61221%0.208SC*.Hα-helixtrans-62.3-33.2-179.8-164.5-88.3000113S114 A116S114-Y118 PolarHBondContact O-N 3.41Å; A116-Y118 VanDerWaalsContact C-N 3.32Å
119Y90.8Very high93.8Very high76 Ų7640.4 Ų40.430%0.29820%0.199SC..  trans-126.679177.5-63.6-62.1000111.1L90 Q117 Q121 L122L90-Y119 VanDerWaalsContact O-CD2 3.28Å; L90-Y119 WeakPolarHBondContact O-CD2 2.98Å; Q117-Y119 VanDerWaalsContact C-N 3.27Å; Q117-Y119 PolarHBondContact O-N 2.86Å; Y119-Q121 VanDerWaalsContact C-OE1 3.27Å; Y119-Q121 PolarHBondContact O-N 2.91Å; Y119-L122 HydrophobicContact CD2-CD1 4.01Å; Y119-L122 HydrophobicContact CG-CD1 4.08Å; Y119-L122 WeakPolarHBondContact O-CB 3.49Å; Y119-L122 PolarHBondContact O-N 2.88Å
120P88.2Confident93.5Very high109 Ų10940.3 Ų40.371%0.70820%0.198SC*.THydrogen-bonded Turntrans-64.1-15.3-17326.7-35.7000114.2L122P120-L122 VanDerWaalsContact C-N 3.3Å
121Q89.5Confident93.3Very high113 Ų11339.6 Ų39.653%0.52819%0.192SC..THydrogen-bonded Turntrans-74.3-18.5173.171.7-80.811.300113.7Y119Y119-Q121 VanDerWaalsContact C-OE1 3.27Å; Y119-Q121 PolarHBondContact O-N 2.91Å
122L93.1Very high93Very high23 Ų2333.9 Ų33.912%0.1217%0.171CC..SBendtrans-78.2153.8177.8-61.5177.9000110.5L90 G93 Y119 P120L90-L122 HydrophobicContact CD2-CB 4.41Å; L90-L122 HydrophobicContact CD2-CD1 4.21Å; G93-L122 WeakPolarHBondContact O-CD2 3.33Å; Y119-L122 HydrophobicContact CD2-CD1 4.01Å; Y119-L122 HydrophobicContact CG-CD1 4.08Å; Y119-L122 WeakPolarHBondContact O-CB 3.49Å; Y119-L122 PolarHBondContact O-N 2.88Å; P120-L122 VanDerWaalsContact C-N 3.3Å
123V93.6Very high92.6Very high5 Ų533.9 Ų33.93%0.0317%0.171CC..  trans-88.1123.6170.7175.10000106.1H95 V96 L125 L343 R346 L370H95-V123 CarbonylContact C-O 3.57Å; H95-V123 WeakPolarHBondContact CA-O 3.27Å; H95-V123 HydrophobicContact CB-CB 4.09Å; H95-V123 WeakPolarHBondContact ND1-CB 3.48Å; H95-V123 WeakPolarHBondContact ND1-CG2 3.35Å; H95-V123 PolarHBondContact ND1-N 3.27Å; V96-V123 PolarHBondContact N-O 2.9Å; V123-L125 HydrophobicContact CG1-CD1 3.67Å; V123-L125 HydrophobicContact CG1-CG 3.63Å; V123-L343 HydrophobicContact CB-CD2 4.45Å; V123-L343 HydrophobicContact CG1-CD2 3.78Å; V123-L343 HydrophobicContact CG2-CD2 4.26Å; V123-R346 HydrophobicContact CG2-CB 4.27Å; V123-R346 HydrophobicContact CG2-CG 4.29Å; V123-L370 HydrophobicContact CG1-CD1 4.16Å; V123-L370 HydrophobicContact CG2-CD1 4.47Å; V123-L370 HydrophobicContact CG2-CD2 4.03Å
124A95.6Very high92.2Very high15 Ų1535 Ų3512%0.12418%0.183CC..EExtended strand (participates in β ladder)trans-135.682.4-174.100000108.7L90 A116 F376L90-A124 HydrophobicContact CD2-CB 3.86Å; A116-A124 HydrophobicContact CB-CB 3.58Å; A124-F376 HydrophobicContact CB-CD2 3.82Å; A124-F376 HydrophobicContact CB-CE2 3.75Å
125L95.7Very high92.1Very high8 Ų833.1 Ų33.14%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-112.4156.9-171.8-59.5177.1000112V96 I97 C98 V123 L339 L370 A373 A374V96-L125 PolarHBondContact O-N 2.84Å; I97-L125 WeakPolarHBondContact CA-O 3.25Å; I97-L125 HydrophobicContact CG1-CB 4.18Å; I97-L125 HydrophobicContact CG1-CD1 4.41Å; C98-L125 PolarHBondContact N-O 3.4Å; V123-L125 HydrophobicContact CG1-CD1 3.67Å; V123-L125 HydrophobicContact CG1-CG 3.63Å; L125-L339 HydrophobicContact CD1-CD1 3.51Å; L125-L370 HydrophobicContact CD1-CD1 4Å; L125-A373 HydrophobicContact CD1-CB 4.1Å; L125-A373 HydrophobicContact CD2-CB 3.77Å; L125-A374 WeakPolarHBondContact CA-O 3.36Å
126V94.6Very high92Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-113.4141175177.90000109.4C98 V100 F128 A374 N375 F376 A379C98-V126 CarbonylContact O-C 3.58Å; C98-V126 VanDerWaalsContact O-CA 3.29Å; C98-V126 WeakPolarHBondContact O-CA 3.39Å; V100-V126 HydrophobicContact CG1-CG1 3.33Å; V126-F128 HydrophobicContact CB-CD2 4.08Å; V126-F128 HydrophobicContact CB-CE2 4.26Å; V126-F128 HydrophobicContact CG1-CD2 3.61Å; V126-F128 HydrophobicContact CG1-CE2 3.58Å; V126-F128 HydrophobicContact CG1-CG 4.33Å; V126-F128 HydrophobicContact CG1-CZ 4.25Å; V126-F128 PolarHBondContact O-N 3.03Å; V126-A374 PolarHBondContact N-O 3.11Å; V126-N375 WeakPolarHBondContact CG2-O 3.5Å; V126-F376 HydrophobicContact CG2-CD1 3.59Å; V126-F376 HydrophobicContact CG2-CE1 3.66Å; V126-F376 HydrophobicContact CG2-CG 4.14Å; V126-F376 HydrophobicContact CG2-CZ 4.33Å; V126-A379 HydrophobicContact CB-CB 4.37Å; V126-A379 HydrophobicContact CG1-CB 4.11Å; V126-A379 HydrophobicContact CG2-CB 3.74Å
127G91.7Very high91.9Very high0 Ų035.3 Ų35.30%018%0.175CC..  trans-71.737-173.400000114.8C98 G129 H187C98-G127 PolarHBondContact O-N 3.32Å; G127-G129 PolarHBondContact O-N 3.2Å; G127-H187 PolarHBondContact O-CE1 3.37Å; G127-H187 VanDerWaalsContact O-CE1 3.29Å
128F93.2Very high91.9Very high3 Ų334 Ų341%0.01317%0.168CC..  trans-71.560.4170.7-68.4-62.4000111.6V100 V126 M130 R131 S186 H187 D190 A374 D378 A379 V382V100-F128 HydrophobicContact CB-CE1 4.33Å; V100-F128 HydrophobicContact CG1-CD1 3.96Å; V100-F128 HydrophobicContact CG1-CE1 3.67Å; V100-F128 HydrophobicContact CG1-CE2 4.29Å; V100-F128 HydrophobicContact CG1-CG 4.39Å; V100-F128 HydrophobicContact CG1-CZ 3.85Å; V100-F128 HydrophobicContact CG2-CD1 4.26Å; V100-F128 HydrophobicContact CG2-CE1 4.37Å; V126-F128 HydrophobicContact CB-CD2 4.08Å; V126-F128 HydrophobicContact CB-CE2 4.26Å; V126-F128 HydrophobicContact CG1-CD2 3.61Å; V126-F128 HydrophobicContact CG1-CE2 3.58Å; V126-F128 HydrophobicContact CG1-CG 4.33Å; V126-F128 HydrophobicContact CG1-CZ 4.25Å; V126-F128 PolarHBondContact O-N 3.03Å; F128-M130 PolarHBondContact O-N 3.21Å; F128-M130 VanDerWaalsContact O-N 3.11Å; F128-R131 PolarHBondContact O-N 3.34Å; F128-S186 VanDerWaalsContact CE1-O 3.3Å; F128-S186 WeakPolarHBondContact CE1-O 3.49Å; F128-H187 AromaticContact CD1-ND1 3.94Å; F128-D190 HydrophobicContact CB-CB 4.24Å; F128-D190 VanDerWaalsContact CB-OD2 3.23Å; F128-D190 WeakPolarHBondContact CB-OD2 3.38Å; F128-D190 HydrophobicContact CD1-CB 3.51Å; F128-D190 HydrophobicContact CD2-CB 4.16Å; F128-D190 WeakPolarHBondContact CD2-OD1 3.37Å; F128-D190 HydrophobicContact CE1-CB 3.76Å; F128-D190 HydrophobicContact CE2-CB 4.36Å; F128-D190 HydrophobicContact CG-CB 3.73Å; F128-D190 HydrophobicContact CZ-CB 4.19Å; F128-A374 HydrophobicContact CB-CB 3.87Å; F128-A374 HydrophobicContact CD2-CB 3.65Å; F128-A374 HydrophobicContact CG-CB 4.25Å; F128-D378 HydrophobicContact CE2-CB 4.44Å; F128-A379 HydrophobicContact CE2-CB 4.24Å; F128-V382 HydrophobicContact CE1-CG1 4.11Å; F128-V382 HydrophobicContact CE1-CG2 4.37Å; F128-V382 HydrophobicContact CE2-CG2 4.15Å; F128-V382 HydrophobicContact CZ-CB 3.82Å; F128-V382 HydrophobicContact CZ-CG1 3.79Å; F128-V382 HydrophobicContact CZ-CG2 3.73Å
129G88.3Confident92.1Very high0 Ų026.6 Ų26.60%014%0.139CC..G310 helixtrans-68.8-13.5-168.200000114.9G127 R131 H132 T331G127-G129 PolarHBondContact O-N 3.2Å; G129-R131 PolarHBondContact O-N 3.42Å; G129-H132 PolarHBondContact O-N 3.33Å; G129-T331 WeakPolarHBondContact CA-O 3.49Å
130M89.3Confident92.4Very high0 Ų023.6 Ų23.60%013%0.128CC..G310 helixtrans-59.4-30.5172.6-70.8-165.7-173.500112.1F128 H132 L133 I136 H187 F268 L327 T331F128-M130 PolarHBondContact O-N 3.21Å; F128-M130 VanDerWaalsContact O-N 3.11Å; M130-H132 PolarHBondContact O-N 3.45Å; M130-H132 VanDerWaalsContact O-N 3.14Å; M130-L133 HydrophobicContact CB-CD1 4.32Å; M130-L133 HydrophobicContact CG-CD1 4.41Å; M130-L133 WeakPolarHBondContact O-CG 3.49Å; M130-L133 PolarHBondContact O-N 2.71Å; M130-I136 WeakPolarHBondContact O-CB 3.42Å; M130-I136 WeakPolarHBondContact O-CG1 3.43Å; M130-H187 HydrophobicContact CE-CB 3.75Å; M130-H187 HydrophobicContact CG-CB 4.18Å; M130-H187 HydrophobicContact SD-CB 3.69Å; M130-F268 HydrophobicContact CE-CZ 4.24Å; M130-L327 HydrophobicContact CE-CD1 4.31Å; M130-L327 HydrophobicContact CE-CD2 3.78Å; M130-T331 HydrophobicContact CG-CG2 3.84Å
131R92Very high92.8Very high14 Ų1422.3 Ų22.35%0.05311%0.112CC..G310 helixtrans-53.7-33.6171.9-67.2-169.6-175.9-1680.6111.7F128 G129 Q137 D190 F194 E372 D378F128-R131 PolarHBondContact O-N 3.34Å; G129-R131 PolarHBondContact O-N 3.42Å; R131-Q137 WeakPolarHBondContact O-CG 3.3Å; R131-Q137 PolarHBondContact O-NE2 3.33Å; R131-D190 WeakPolarHBondContact CD-OD2 3.3Å; R131-D190 VanDerWaalsContact CG-OD2 3.28Å; R131-D190 WeakPolarHBondContact CG-OD2 3.46Å; R131-D190 IonicContact CZ-OD1 3.4Å; R131-D190 VanDerWaalsContact CZ-OD1 3.27Å; R131-D190 IonicContact CZ-OD2 2.77Å; R131-D190 VanDerWaalsContact NE-CG 3.34Å; R131-D190 IonicContact NE-OD1 2.71Å; R131-D190 PolarHBondContact NE-OD1 2.96Å; R131-D190 IonicContact NE-OD2 3.31Å; R131-D190 PolarHBondContact NE-OD2 2.93Å; R131-D190 IonicContact NH2-OD1 2.63Å; R131-D190 PolarHBondContact NH2-OD1 2.86Å; R131-D190 IonicContact NH2-OD2 2.64Å; R131-F194 HydrophobicContact CB-CD1 4.35Å; R131-F194 HydrophobicContact CB-CE1 4.37Å; R131-F194 HydrophobicContact CG-CB 4.13Å; R131-F194 HydrophobicContact CG-CD1 4.02Å; R131-F194 HydrophobicContact CG-CD2 4.21Å; R131-F194 HydrophobicContact CG-CG 3.85Å; R131-E372 PolarHBondContact NH1-O 3.14Å; R131-D378 IonicContact CZ-OD1 3.93Å; R131-D378 IonicContact NH1-OD1 3Å; R131-D378 IonicContact NH1-OD2 3.81Å; R131-D378 VanDerWaalsContact NH2-CG 3.29Å; R131-D378 IonicContact NH2-OD1 2.79Å; R131-D378 PolarHBondContact NH2-OD1 3Å; R131-D378 IonicContact NH2-OD2 3.05Å
132H89.9Confident93.1Very high15 Ų1517.6 Ų17.67%0.0699%0.091CC..G310 helixtrans-93.23.6-170.9-63-79.4000114.5G129 M130 S338G129-H132 PolarHBondContact O-N 3.33Å; M130-H132 PolarHBondContact O-N 3.45Å; M130-H132 VanDerWaalsContact O-N 3.14Å; H132-S338 VanDerWaalsContact ND1-CB 3.32Å; H132-S338 WeakPolarHBondContact ND1-CB 3.45Å; H132-S338 PolarHBondContact ND1-OG 2.86Å
133L87.7Confident93.4Very high1 Ų117.6 Ų17.61%0.0059%0.091CC..SBendtrans-67.3141.2170.4-59.8169000109.5M130 V135 I136 Q137 Y319 L330M130-L133 HydrophobicContact CB-CD1 4.32Å; M130-L133 HydrophobicContact CG-CD1 4.41Å; M130-L133 WeakPolarHBondContact O-CG 3.49Å; M130-L133 PolarHBondContact O-N 2.71Å; L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 HydrophobicContact CB-CG2 4.21Å; L133-V135 PolarHBondContact O-N 3.29Å; L133-I136 HydrophobicContact CB-CB 4.25Å; L133-I136 HydrophobicContact CB-CG1 4.06Å; L133-I136 HydrophobicContact CD1-CG1 4.24Å; L133-I136 PolarHBondContact O-N 3.09Å; L133-Q137 PolarHBondContact O-N 3.11Å; L133-Y319 WeakPolarHBondContact CD1-OH 3.38Å; L133-L330 HydrophobicContact CD2-CD2 4.33Å
134A88.9Confident93.5Very high36 Ų3624.5 Ų24.530%0.29812%0.116SC..Hα-helixtrans-62.1-39.8-174.400000111.6I136 K138 L304 E306A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.21Å; A134-K138 WeakPolarHBondContact O-CB 3.49Å; A134-K138 PolarHBondContact O-N 3.32Å; A134-L304 HydrophobicContact CB-CD2 3.97Å; A134-E306 HydrophobicContact CB-CB 4.43Å; A134-E306 VanDerWaalsContact CB-CD 3.48Å; A134-E306 HydrophobicContact CB-CG 4.01Å; A134-E306 PolarHBondContact N-OE1 3.38Å; A134-E306 VanDerWaalsContact N-OE1 3.16Å; A134-E306 PolarHBondContact N-OE2 3.44Å; A134-E306 VanDerWaalsContact N-OE2 3.07Å
135V92.5Very high93.5Very high1 Ų129.3 Ų29.31%0.00614%0.136CC..Hα-helixtrans-61.1-38.2174.5-67.60000113.2L133 T139 V283 F286 L288 L304 E306L133-V135 VanDerWaalsContact C-N 3.29Å; L133-V135 HydrophobicContact CB-CG2 4.21Å; L133-V135 PolarHBondContact O-N 3.29Å; V135-T139 WeakPolarHBondContact O-CB 3.24Å; V135-T139 PolarHBondContact O-N 3.21Å; V135-T139 PolarHBondContact O-OG1 3.24Å; V135-V283 HydrophobicContact CB-CG1 4.16Å; V135-V283 HydrophobicContact CG2-CG1 3.86Å; V135-F286 VanDerWaalsContact CG1-C 3.5Å; V135-F286 VanDerWaalsContact CG1-O 3.22Å; V135-F286 WeakPolarHBondContact CG1-O 3.4Å; V135-L288 HydrophobicContact CB-CB 4.43Å; V135-L288 HydrophobicContact CG1-CB 4.26Å; V135-L304 HydrophobicContact CG1-CD2 3.99Å; V135-L304 HydrophobicContact CG1-CG 4.43Å; V135-E306 HydrophobicContact CG1-CB 4.19Å; V135-E306 PolarHBondContact N-OE2 3.41Å
136I94.2Very high93.5Very high0 Ų033.2 Ų33.20%016%0.16CC..Hα-helixtrans-74-46-180-66.3-47.1000110.7M130 L133 A134 K138 T139 H140 L191 F194 L195 V283M130-I136 WeakPolarHBondContact O-CB 3.42Å; M130-I136 WeakPolarHBondContact O-CG1 3.43Å; L133-I136 HydrophobicContact CB-CB 4.25Å; L133-I136 HydrophobicContact CB-CG1 4.06Å; L133-I136 HydrophobicContact CD1-CG1 4.24Å; L133-I136 PolarHBondContact O-N 3.09Å; A134-I136 VanDerWaalsContact C-N 3.33Å; A134-I136 PolarHBondContact O-N 3.21Å; I136-K138 VanDerWaalsContact C-N 3.26Å; I136-K138 PolarHBondContact O-N 3.32Å; I136-T139 WeakPolarHBondContact O-CB 3.16Å; I136-T139 PolarHBondContact O-N 2.81Å; I136-T139 VanDerWaalsContact O-N 3.16Å; I136-H140 WeakPolarHBondContact O-CB 3.28Å; I136-H140 PolarHBondContact O-N 2.8Å; I136-L191 HydrophobicContact CB-CD1 4.21Å; I136-L191 HydrophobicContact CD1-CD1 3.87Å; I136-L191 HydrophobicContact CD1-CD2 4.12Å; I136-L191 HydrophobicContact CG1-CD1 3.87Å; I136-L191 HydrophobicContact CG2-CD1 3.28Å; I136-F194 HydrophobicContact CG2-CD1 4.17Å; I136-F194 HydrophobicContact CG2-CE1 4.01Å; I136-L195 HydrophobicContact CG2-CD2 4.39Å; I136-V283 HydrophobicContact CD1-CG1 4.2Å; I136-V283 HydrophobicContact CD1-CG2 4.24Å
137Q93.1Very high93.7Very high68 Ų6834.8 Ų34.832%0.31817%0.173SC..Hα-helixtrans-57-42.2174.1-74.4-66.8-32.100111.3R131 L133 Q141R131-Q137 WeakPolarHBondContact O-CG 3.3Å; R131-Q137 PolarHBondContact O-NE2 3.33Å; L133-Q137 PolarHBondContact O-N 3.11Å; Q137-Q141 WeakPolarHBondContact O-CB 3.45Å; Q137-Q141 PolarHBondContact O-N 2.97Å
138K95.2Very high93.9Very high72 Ų7234.8 Ų34.831%0.31317%0.173SC..Hα-helixtrans-67.9-39.9176.9-171.861.5179.51790112.5A134 I136 Q141 L142 L288 L304A134-K138 WeakPolarHBondContact O-CB 3.49Å; A134-K138 PolarHBondContact O-N 3.32Å; I136-K138 VanDerWaalsContact C-N 3.26Å; I136-K138 PolarHBondContact O-N 3.32Å; K138-Q141 WeakPolarHBondContact O-CB 3.42Å; K138-Q141 PolarHBondContact O-N 3.38Å; K138-L142 HydrophobicContact CG-CD1 4.19Å; K138-L142 VanDerWaalsContact O-CG 3.28Å; K138-L142 WeakPolarHBondContact O-CG 3.41Å; K138-L142 PolarHBondContact O-N 3.49Å; K138-L288 HydrophobicContact CB-CD2 3.69Å; K138-L288 HydrophobicContact CG-CD2 3.46Å; K138-L288 VanDerWaalsContact CG-CD2 3.46Å; K138-L304 HydrophobicContact CB-CD2 4.33Å
139T97.3Very high94.1Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-60-50.2174.9-58.40000110.6V135 I136 Q141 L142 L143 L195 L281 V283 L288V135-T139 WeakPolarHBondContact O-CB 3.24Å; V135-T139 PolarHBondContact O-N 3.21Å; V135-T139 PolarHBondContact O-OG1 3.24Å; I136-T139 WeakPolarHBondContact O-CB 3.16Å; I136-T139 PolarHBondContact O-N 2.81Å; I136-T139 VanDerWaalsContact O-N 3.16Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.21Å; T139-L142 PolarHBondContact O-N 3.11Å; T139-L142 VanDerWaalsContact O-N 3.12Å; T139-L143 HydrophobicContact CG2-CD1 4.2Å; T139-L143 HydrophobicContact CG2-CG 4.49Å; T139-L143 WeakPolarHBondContact O-CG 3.22Å; T139-L143 PolarHBondContact O-N 3.21Å; T139-L195 HydrophobicContact CG2-CD1 4.48Å; T139-L195 HydrophobicContact CG2-CD2 3.97Å; T139-L281 HydrophobicContact CG2-CB 4.32Å; T139-L281 HydrophobicContact CG2-CD1 3.89Å; T139-V283 HydrophobicContact CG2-CG2 4.37Å; T139-V283 WeakPolarHBondContact OG1-CG2 3.22Å; T139-L288 WeakPolarHBondContact OG1-CD1 3.3Å
140H96.6Very high94.5Very high13 Ų1341.2 Ų41.26%0.0621%0.205CC..Hα-helixtrans-56.5-44.5176178.9-122.3000112.2I136 L142 L143 R144 F194 L195I136-H140 WeakPolarHBondContact O-CB 3.28Å; I136-H140 PolarHBondContact O-N 2.8Å; H140-L142 PolarHBondContact O-N 3.3Å; H140-L143 PolarHBondContact O-N 3.07Å; H140-R144 PolarHBondContact CE1-NE 3.09Å; H140-R144 PolarHBondContact CE1-NH2 3.49Å; H140-R144 VanDerWaalsContact NE2-CZ 3.33Å; H140-R144 PolarHBondContact NE2-NE 2.88Å; H140-R144 PolarHBondContact NE2-NH2 2.85Å; H140-R144 PolarHBondContact O-N 3.35Å; H140-F194 HydrophobicContact CB-CD1 4.48Å; H140-F194 HydrophobicContact CB-CE1 3.68Å; H140-F194 HydrophobicContact CB-CZ 4.04Å; H140-F194 PolarHBondContact CD2-O 3.17Å; H140-F194 AromaticContact CE1-CE2 3.72Å; H140-F194 AromaticContact CE1-CZ 3.62Å; H140-F194 AromaticContact CG-CE1 3.66Å; H140-F194 AromaticContact CG-CZ 3.58Å; H140-F194 AromaticContact ND1-CE1 3.94Å; H140-F194 AromaticContact ND1-CE2 3.97Å; H140-F194 AromaticContact ND1-CZ 3.37Å; H140-F194 WeakPolarHBondContact ND1-CZ 3.35Å; H140-L195 HydrophobicContact CB-CD2 3.78Å
141Q96.1Very high94.8Very high81 Ų8142.9 Ų42.938%0.37921%0.214SC..Hα-helixtrans-58.3-46.4175-174.7-17117.800112Q137 K138 T139 R144 Q145Q137-Q141 WeakPolarHBondContact O-CB 3.45Å; Q137-Q141 PolarHBondContact O-N 2.97Å; K138-Q141 WeakPolarHBondContact O-CB 3.42Å; K138-Q141 PolarHBondContact O-N 3.38Å; T139-Q141 VanDerWaalsContact C-N 3.33Å; T139-Q141 PolarHBondContact O-N 3.21Å; Q141-R144 PolarHBondContact O-N 3.43Å; Q141-Q145 VanDerWaalsContact O-CG 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.32Å; Q141-Q145 PolarHBondContact O-N 3.26Å
142L97.8Very high95Very high14 Ų1445.8 Ų45.87%0.07323%0.23CC..Hα-helixtrans-68.5-36.5-178-70.4168.7000112.4K138 T139 H140 Q145 V146 A147 L281 L288 L303K138-L142 HydrophobicContact CG-CD1 4.19Å; K138-L142 VanDerWaalsContact O-CG 3.28Å; K138-L142 WeakPolarHBondContact O-CG 3.41Å; K138-L142 PolarHBondContact O-N 3.49Å; T139-L142 PolarHBondContact O-N 3.11Å; T139-L142 VanDerWaalsContact O-N 3.12Å; H140-L142 PolarHBondContact O-N 3.3Å; L142-Q145 CarbonylContact O-C 3.52Å; L142-Q145 PolarHBondContact O-N 2.99Å; L142-V146 PolarHBondContact O-N 3.06Å; L142-A147 HydrophobicContact CB-CB 3.97Å; L142-A147 HydrophobicContact CD2-CB 4.01Å; L142-A147 VanDerWaalsContact O-CB 3.26Å; L142-A147 WeakPolarHBondContact O-CB 3.36Å; L142-A147 PolarHBondContact O-N 3.27Å; L142-L281 HydrophobicContact CB-CD1 3.76Å; L142-L281 HydrophobicContact CB-CD2 4.32Å; L142-L281 HydrophobicContact CD1-CD1 4.42Å; L142-L281 HydrophobicContact CD1-CD2 3.73Å; L142-L288 HydrophobicContact CD1-CD2 4.03Å; L142-L303 HydrophobicContact CD1-CD1 3.43Å; L142-L303 VanDerWaalsContact CD1-CD1 3.43Å
143L97.5Very high95.4Very high23 Ų2346.5 Ų46.512%0.1224%0.236CC..Hα-helixtrans-63.2-45.7173.3-69.4175.4000111.1T139 H140 Q145 V146 I148 L151 L195 C274 L281T139-L143 HydrophobicContact CG2-CD1 4.2Å; T139-L143 HydrophobicContact CG2-CG 4.49Å; T139-L143 WeakPolarHBondContact O-CG 3.22Å; T139-L143 PolarHBondContact O-N 3.21Å; H140-L143 PolarHBondContact O-N 3.07Å; L143-Q145 PolarHBondContact O-N 2.92Å; L143-V146 PolarHBondContact O-N 3.44Å; L143-I148 HydrophobicContact CD2-CD1 3.62Å; L143-I148 HydrophobicContact CD2-CG1 4.03Å; L143-L151 HydrophobicContact CD1-CD2 4.42Å; L143-L151 HydrophobicContact CD2-CD1 4.04Å; L143-L151 HydrophobicContact CD2-CD2 4.48Å; L143-L195 HydrophobicContact CD1-CB 3.96Å; L143-L195 HydrophobicContact CD1-CD2 4.15Å; L143-C274 HydrophobicContact CD2-CB 4.35Å; L143-L281 HydrophobicContact CD2-CD1 3.83Å; L143-L281 HydrophobicContact CG-CD1 3.91Å
144R95.8Very high95.9Very high151 Ų15146.5 Ų46.557%0.5724%0.235SC*.Hα-helixtrans-61.8-30173.9-74.6-175174179.60.3113.1H140 Q141 V146 E372H140-R144 PolarHBondContact CE1-NE 3.09Å; H140-R144 PolarHBondContact CE1-NH2 3.49Å; H140-R144 VanDerWaalsContact NE2-CZ 3.33Å; H140-R144 PolarHBondContact NE2-NE 2.88Å; H140-R144 PolarHBondContact NE2-NH2 2.85Å; H140-R144 PolarHBondContact O-N 3.35Å; Q141-R144 PolarHBondContact O-N 3.43Å; R144-V146 PolarHBondContact O-N 3.01Å; R144-E372 IonicContact CZ-OE1 3.77Å; R144-E372 IonicContact NH1-OE1 2.64Å; R144-E372 PolarHBondContact NH1-OE1 3.49Å; R144-E372 IonicContact NH2-OE1 2.92Å; R144-E372 PolarHBondContact NH2-OE1 3.2Å
145Q96.7Very high96.4Very high116 Ų11647.2 Ų47.254%0.54223%0.234SC..THydrogen-bonded Turntrans-82.21.7175.1-71.5173.8-11.500113.4Q141 L142 L143 A147Q141-Q145 VanDerWaalsContact O-CG 3.28Å; Q141-Q145 WeakPolarHBondContact O-CG 3.32Å; Q141-Q145 PolarHBondContact O-N 3.26Å; L142-Q145 CarbonylContact O-C 3.52Å; L142-Q145 PolarHBondContact O-N 2.99Å; L143-Q145 PolarHBondContact O-N 2.92Å; Q145-A147 PolarHBondContact O-N 3.42Å
146V96.3Very high96.6Very high90 Ų9047.2 Ų47.255%0.54523%0.234SC..THydrogen-bonded Turntrans58.332.7-179.2-162.10000111.2L142 L143 R144 I148 G149L142-V146 PolarHBondContact O-N 3.06Å; L143-V146 PolarHBondContact O-N 3.44Å; R144-V146 PolarHBondContact O-N 3.01Å; V146-I148 PolarHBondContact O-N 2.86Å; V146-I148 VanDerWaalsContact O-N 3.1Å; V146-G149 WeakPolarHBondContact CG1-O 3.32Å; V146-G149 PolarHBondContact O-N 3.35Å
147A96.9Very high96.8Very high32 Ų3249.3 Ų49.326%0.26425%0.245SC..THydrogen-bonded Turntrans-64.1-19.4-173.500000113.9L142 Q145L142-A147 HydrophobicContact CB-CB 3.97Å; L142-A147 HydrophobicContact CD2-CB 4.01Å; L142-A147 VanDerWaalsContact O-CB 3.26Å; L142-A147 WeakPolarHBondContact O-CB 3.36Å; L142-A147 PolarHBondContact O-N 3.27Å; Q145-A147 PolarHBondContact O-N 3.42Å
148I97.5Very high96.8Very high1 Ų146.1 Ų46.11%0.00523%0.23CC..THydrogen-bonded Turntrans-117.515.5176.761.5171.7000112.6L143 V146 L151 C274 G276 T277 Q278 G279 L281 L290L143-I148 HydrophobicContact CD2-CD1 3.62Å; L143-I148 HydrophobicContact CD2-CG1 4.03Å; V146-I148 PolarHBondContact O-N 2.86Å; V146-I148 VanDerWaalsContact O-N 3.1Å; I148-L151 HydrophobicContact CD1-CD1 4.33Å; I148-C274 HydrophobicContact CD1-CB 4.11Å; I148-G276 CarbonylContact O-C 3.21Å; I148-G276 VanDerWaalsContact O-CA 3.27Å; I148-G276 WeakPolarHBondContact O-CA 3.34Å; I148-T277 PolarHBondContact O-N 3.22Å; I148-T277 VanDerWaalsContact O-N 3.15Å; I148-Q278 PolarHBondContact O-N 3.45Å; I148-G279 PolarHBondContact O-N 3.1Å; I148-L281 HydrophobicContact CD1-CD1 4.44Å; I148-L281 HydrophobicContact CD1-CG 4.28Å; I148-L281 HydrophobicContact CG2-CD2 4.23Å; I148-L281 HydrophobicContact CG2-CG 3.83Å; I148-L290 HydrophobicContact CG2-CD1 3.54Å
149G96.6Very high96.6Very high8 Ų848.6 Ų48.68%0.08224%0.238CC..SBendtrans77.7-153.1-17000000112.3V146 T277V146-G149 WeakPolarHBondContact CG1-O 3.32Å; V146-G149 PolarHBondContact O-N 3.35Å; G149-T277 WeakPolarHBondContact CA-OG1 3.4Å
150E95.8Very high95.9Very high129 Ų12948.6 Ų48.660%0.60324%0.238SC*.SBendtrans-71.1130.6174.1179.6179.1-168.900109.8L152 G276 T277E150-L152 HydrophobicContact CG-CD2 4.38Å; E150-G276 CarbonylContact O-C 3.58Å; E150-G276 WeakPolarHBondContact O-CA 3.32Å; E150-T277 HydrophobicContact CB-CG2 3.96Å; E150-T277 PolarHBondContact N-OG1 3.2Å; E150-T277 PolarHBondContact O-N 3.24Å
151L97.2Very high95Very high35 Ų3548.9 Ų48.918%0.18324%0.244CC..EExtended strand (participates in β ladder)trans-74123.2177.5177.568.3000110.1L143 I148 I154 V196 C274L143-L151 HydrophobicContact CD1-CD2 4.42Å; L143-L151 HydrophobicContact CD2-CD1 4.04Å; L143-L151 HydrophobicContact CD2-CD2 4.48Å; I148-L151 HydrophobicContact CD1-CD1 4.33Å; L151-I154 HydrophobicContact CD1-CG1 4.11Å; L151-I154 HydrophobicContact CD2-CD1 4.1Å; L151-I154 HydrophobicContact CD2-CG1 4.4Å; L151-V196 HydrophobicContact CD2-CG2 4.02Å; L151-C274 HydrophobicContact CD1-CB 3.79Å
152L96.4Very high93.8Very high76 Ų7647.3 Ų47.340%0.39825%0.245SC..EExtended strand (participates in β ladder)trans-107.6-45.3-173.1-59.4177.1000113.2E150 M254 W275 T277E150-L152 HydrophobicContact CG-CD2 4.38Å; L152-M254 WeakPolarHBondContact O-CG 3.08Å; L152-W275 PolarHBondContact N-O 2.81Å; L152-T277 HydrophobicContact CD1-CG2 3.9Å; L152-T277 HydrophobicContact CD2-CG2 3.95Å; L152-T277 HydrophobicContact CG-CG2 4.09Å
153V97.6Very high92.5Very high30 Ų3047.2 Ų47.218%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-145.9143.1-173.9-176.80000109.5H255 W275V153-H255 WeakPolarHBondContact CA-O 3.5Å; V153-W275 HydrophobicContact CB-CB 4.23Å; V153-W275 HydrophobicContact CB-CG 4.42Å; V153-W275 PolarHBondContact N-O 3.38Å; V153-W275 PolarHBondContact O-N 3.16Å
154I98.4Very high91Very high0 Ų047.7 Ų47.70%025%0.246CC..EExtended strand (participates in β ladder)trans-117.8124.7166-69.5178.4000109L151 I192 L195 V196 M254 H255 A256 S257 L272 L273 C274L151-I154 HydrophobicContact CD1-CG1 4.11Å; L151-I154 HydrophobicContact CD2-CD1 4.1Å; L151-I154 HydrophobicContact CD2-CG1 4.4Å; I154-I192 HydrophobicContact CD1-CG2 4.45Å; I154-I192 HydrophobicContact CG2-CG1 4.26Å; I154-L195 HydrophobicContact CD1-CB 4.41Å; I154-V196 HydrophobicContact CD1-CG2 3.65Å; I154-M254 HydrophobicContact CB-CE 3.89Å; I154-M254 HydrophobicContact CD1-CE 4.02Å; I154-M254 HydrophobicContact CG1-CE 3.64Å; I154-H255 PolarHBondContact N-O 3.43Å; I154-A256 HydrophobicContact CB-CB 4.01Å; I154-A256 HydrophobicContact CG2-CB 4.44Å; I154-A256 CarbonylContact O-C 3.54Å; I154-A256 WeakPolarHBondContact O-CA 3.4Å; I154-S257 PolarHBondContact O-N 2.82Å; I154-L272 HydrophobicContact CG2-CD1 3.33Å; I154-L272 HydrophobicContact CG2-CG 4.17Å; I154-L273 CarbonylContact C-O 3.28Å; I154-L273 WeakPolarHBondContact CA-O 3.28Å; I154-C274 HydrophobicContact CG1-CB 4.47Å
155D98.3Very high89.4Confident51 Ų5142.9 Ų42.927%0.27324%0.243SC..EExtended strand (participates in β ladder)trans-105.2123.7168-58.2-56.8000109.3S257 L272 L273 W275D155-S257 CarbonylContact C-O 3.56Å; D155-S257 WeakPolarHBondContact CA-O 3.22Å; D155-S257 WeakPolarHBondContact OD1-CB 3.48Å; D155-L272 CarbonylContact O-C 3.55Å; D155-L272 WeakPolarHBondContact O-CA 3.43Å; D155-L273 HydrophobicContact CB-CB 4.28Å; D155-L273 PolarHBondContact N-O 3.29Å; D155-L273 PolarHBondContact O-N 3.4Å; D155-W275 PolarHBondContact OD2-NE1 3.17Å
156A98.1Very high87.7Confident1 Ų144.1 Ų44.11%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-119.4125.1177.900000110.5V188 I192 S257 V258 N259 E271 L272A156-V188 HydrophobicContact CB-CG1 3.93Å; A156-I192 HydrophobicContact CB-CD1 4.42Å; A156-S257 PolarHBondContact N-O 2.98Å; A156-V258 HydrophobicContact CB-CG1 4.29Å; A156-V258 HydrophobicContact CB-CG2 4.21Å; A156-V258 CarbonylContact O-C 3.46Å; A156-V258 WeakPolarHBondContact O-CA 3.4Å; A156-N259 PolarHBondContact O-N 3.25Å; A156-E271 CarbonylContact C-O 3.58Å; A156-E271 WeakPolarHBondContact CA-O 3.45Å; A156-L272 HydrophobicContact CB-CD1 3.84Å
157I96.7Very high86.3Confident44 Ų4442.8 Ų42.823%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-120.5123.7173.7-60.2175.9000108R159 N259 F269 L270 E271I157-R159 HydrophobicContact CG2-CG 4.14Å; I157-N259 WeakPolarHBondContact CA-O 3.26Å; I157-N259 HydrophobicContact CG1-CB 4.47Å; I157-F269 HydrophobicContact CG2-CD1 4.4Å; I157-F269 HydrophobicContact CG2-CE1 4.25Å; I157-L270 WeakPolarHBondContact O-CA 3.3Å; I157-E271 HydrophobicContact CB-CB 4.44Å; I157-E271 PolarHBondContact N-O 3.11Å; I157-E271 PolarHBondContact O-N 3.03Å
158V93.4Very high85.1Confident1 Ų145.1 Ų45.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-122.2123.1170.7-171.60000110.3V184 V188 N259 L260 N261 F268 F269 L270V158-V184 HydrophobicContact CB-CG1 4.2Å; V158-V184 HydrophobicContact CG1-CG1 3.64Å; V158-V184 HydrophobicContact CG2-CG1 4.48Å; V158-V188 HydrophobicContact CG2-CG2 3.61Å; V158-N259 PolarHBondContact N-O 3.4Å; V158-L260 HydrophobicContact CB-CD2 3.74Å; V158-L260 HydrophobicContact CG2-CD2 3.9Å; V158-L260 CarbonylContact O-C 3.52Å; V158-L260 WeakPolarHBondContact O-CA 3.29Å; V158-N261 PolarHBondContact O-N 3.25Å; V158-F268 HydrophobicContact CG1-CD2 4.32Å; V158-F268 HydrophobicContact CG1-CE2 3.38Å; V158-F268 HydrophobicContact CG1-CZ 3.52Å; V158-F269 CarbonylContact C-O 3.58Å; V158-F269 VanDerWaalsContact CA-O 3.28Å; V158-F269 WeakPolarHBondContact CA-O 2.86Å; V158-L270 HydrophobicContact CG2-CD1 3.73Å
159R90.7Very high84.1Confident124 Ų12447.4 Ų47.447%0.46828%0.278SS..EExtended strand (participates in β ladder)trans-119136.4172.2-53.8175.4179.7166.60.5108.7I157 N261 A265 F268 F269I157-R159 HydrophobicContact CG2-CG 4.14Å; R159-N261 CarbonylContact C-O 3.44Å; R159-N261 VanDerWaalsContact CA-O 3.31Å; R159-N261 WeakPolarHBondContact CA-O 3.39Å; R159-N261 HydrophobicContact CG-CB 4.5Å; R159-A265 HydrophobicContact CB-CB 3.98Å; R159-F268 CarbonylContact O-C 3.57Å; R159-F268 WeakPolarHBondContact O-CA 2.7Å; R159-F269 HydrophobicContact CB-CB 4.2Å; R159-F269 HydrophobicContact CG-CD1 4.39Å; R159-F269 PolarHBondContact N-O 2.92Å; R159-F269 PolarHBondContact O-N 3.37Å
160T83.7Confident83.3Confident1 Ų149.3 Ų49.31%0.00628%0.283CS..  trans-137.6159.5178.9176.40000110.1L163 L180 N261 A262 A265T160-L163 HydrophobicContact CG2-CD2 4.15Å; T160-L180 HydrophobicContact CG2-CD1 3.92Å; T160-N261 PolarHBondContact N-O 2.99Å; T160-A262 HydrophobicContact CG2-CB 3.63Å; T160-A262 WeakPolarHBondContact O-CA 3.27Å; T160-A265 PolarHBondContact O-N 3.03Å
161G77.3Confident82.6Confident19 Ų1946 Ų4620%0.19627%0.265CS..SBendtrans-59.8173.6161.700000111.3L163 A265G161-L163 PolarHBondContact O-N 2.95Å; G161-A265 WeakPolarHBondContact CA-O 3.48Å; G161-A265 PolarHBondContact N-O 3.26Å
162A71.9Confident81.7Confident47 Ų4744.9 Ų44.939%0.38826%0.258SS..  trans-51.8132.6178.100000110.5H164A162-H164 PolarHBondContact O-N 2.95Å; A162-H164 VanDerWaalsContact O-N 3.16Å
163L69.9Low81.1Confident12 Ų1244.1 Ų44.16%0.06325%0.253CS..SBendtrans-67.9-10174.4-64.4173.6000112.7T160 G161 L180 V184 A262 C324T160-L163 HydrophobicContact CG2-CD2 4.15Å; G161-L163 PolarHBondContact O-N 2.95Å; L163-L180 VanDerWaalsContact CD1-CA 3.42Å; L163-L180 HydrophobicContact CD1-CB 3.62Å; L163-L180 HydrophobicContact CD1-CD1 3.91Å; L163-L180 HydrophobicContact CD1-CG 4.34Å; L163-L180 HydrophobicContact CD2-CD1 4.11Å; L163-L180 HydrophobicContact CG-CD1 4.39Å; L163-V184 HydrophobicContact CD2-CG2 4.45Å; L163-A262 HydrophobicContact CD1-CB 4.07Å; L163-A262 HydrophobicContact CD2-CB 4.49Å; L163-A262 HydrophobicContact CG-CB 3.8Å; L163-C324 HydrophobicContact CD2-CB 4.12Å
164H65.4Low80.5Confident34 Ų3446.2 Ų46.216%0.15726%0.261CS..  trans-94.5123.9-174.4-53.2114.4000109.5A162 F172 M238A162-H164 PolarHBondContact O-N 2.95Å; A162-H164 VanDerWaalsContact O-N 3.16Å; H164-F172 HydrophobicContact CB-CD1 4.43Å; H164-F172 HydrophobicContact CB-CE1 3.58Å; H164-F172 HydrophobicContact CB-CE2 4.19Å; H164-F172 HydrophobicContact CB-CZ 3.44Å; H164-F172 VanDerWaalsContact CB-CZ 3.44Å; H164-F172 AromaticContact CD2-CD1 3.44Å; H164-F172 VanDerWaalsContact CD2-CD1 3.44Å; H164-F172 WeakPolarHBondContact CD2-CD1 3.43Å; H164-F172 AromaticContact CD2-CD2 3.93Å; H164-F172 AromaticContact CD2-CE1 3.5Å; H164-F172 VanDerWaalsContact CD2-CE1 3.5Å; H164-F172 WeakPolarHBondContact CD2-CE1 3.48Å; H164-F172 AromaticContact CD2-CE2 3.99Å; H164-F172 AromaticContact CD2-CG 3.67Å; H164-F172 AromaticContact CD2-CZ 3.79Å; H164-F172 AromaticContact CG-CE1 3.72Å; H164-F172 AromaticContact CG-CZ 3.96Å; H164-M238 HydrophobicContact CB-CE 4.33Å; H164-M238 WeakPolarHBondContact CD2-CE 3.38Å; H164-M238 WeakPolarHBondContact CE1-CE 3.28Å; H164-M238 WeakPolarHBondContact ND1-CE 3.36Å; H164-M238 WeakPolarHBondContact NE2-CE 3.14Å
165G63.3Low80Confident49 Ų4953.4 Ų53.451%0.50530%0.298SS..  trans-76.1-176.6164.900000111.3A167G165-A167 PolarHBondContact O-N 3.45Å
166S60.8Low79.4Confident142 Ų14251.6 Ų51.699%0.99329%0.29SS*.SBendtrans-66.6-21.517351.80000113.4
167A67.2Low78.7Confident63 Ų6351.8 Ų51.852%0.52129%0.292SS..SBendtrans-111.7138179.300000111.8G165 F172G165-A167 PolarHBondContact O-N 3.45Å; A167-F172 VanDerWaalsContact O-CE2 3.31Å; A167-F172 WeakPolarHBondContact O-CE2 3.5Å; A167-F172 WeakPolarHBondContact O-CZ 3.28Å
168Y71.5Confident78.2Confident80 Ų8049.7 Ų49.731%0.31428%0.281SS..  trans-59.8132.6172.9-172-90.9000111F172 E173 R236Y168-F172 HydrophobicContact CD2-CB 3.95Å; Y168-F172 AromaticContact CD2-CD1 3.84Å; Y168-F172 HydrophobicContact CD2-CD1 3.84Å; Y168-F172 AromaticContact CD2-CG 3.9Å; Y168-F172 HydrophobicContact CD2-CG 3.9Å; Y168-F172 HydrophobicContact CE2-CB 3.66Å; Y168-F172 HydrophobicContact CE2-CD1 4.27Å; Y168-F172 HydrophobicContact CE2-CG 4.15Å; Y168-E173 WeakPolarHBondContact OH-CG 3.23Å; Y168-E173 PolarHBondContact OH-OE1 2.86Å; Y168-R236 HydrophobicContact CD2-CB 4.16Å; Y168-R236 HydrophobicContact CE2-CB 3.67Å; Y168-R236 HydrophobicContact CE2-CG 4.47Å
169N75.3Confident78Confident50 Ų5049.7 Ų49.727%0.26728%0.281SS..  trans-149.3-177.6174.76649.2000111.1R171 F172N169-R171 PolarHBondContact O-N 2.94Å; N169-R171 WeakPolarHBondContact OD1-CB 3.46Å; N169-R171 VanDerWaalsContact OD1-CG 3.29Å; N169-R171 WeakPolarHBondContact OD1-CG 3.4Å; N169-R171 PolarHBondContact OD1-N 3.04Å; N169-F172 VanDerWaalsContact N-CD2 3.29Å; N169-F172 WeakPolarHBondContact O-CB 3.33Å; N169-F172 VanDerWaalsContact O-CD2 3.26Å; N169-F172 WeakPolarHBondContact O-CD2 3.45Å; N169-F172 PolarHBondContact O-N 2.83Å; N169-F172 VanDerWaalsContact O-N 3.07Å
170W81.3Confident78.1Confident48 Ų4843.8 Ų43.818%0.18226%0.259CS..G310 helixtrans-55.4-23.7-178.167.3-96.3000114.5C78 P79 P101 F172 E173 G177 I183C78-W170 HydrophobicContact CB-CB 4.43Å; C78-W170 VanDerWaalsContact CB-CD1 3.49Å; C78-W170 HydrophobicContact CB-CD2 3.95Å; C78-W170 HydrophobicContact CB-CG 3.73Å; P79-W170 HydrophobicContact CG-CE3 4.19Å; P79-W170 HydrophobicContact CG-CZ3 4.03Å; P101-W170 HydrophobicContact CG-CH2 3.84Å; P101-W170 HydrophobicContact CG-CZ3 4Å; W170-F172 PolarHBondContact O-N 3.39Å; W170-E173 PolarHBondContact O-N 3.11Å; W170-G177 WeakPolarHBondContact CZ3-O 3.41Å; W170-I183 HydrophobicContact CH2-CG1 4.45Å
171R80.1Confident78.7Confident59 Ų5943.8 Ų43.822%0.22326%0.258CS..G310 helixtrans-67.5-18.7179.9-60.5177.7172.581.6-0.8113.2N169 E173 G178 G179 I183 A240N169-R171 PolarHBondContact O-N 2.94Å; N169-R171 WeakPolarHBondContact OD1-CB 3.46Å; N169-R171 VanDerWaalsContact OD1-CG 3.29Å; N169-R171 WeakPolarHBondContact OD1-CG 3.4Å; N169-R171 PolarHBondContact OD1-N 3.04Å; R171-E173 VanDerWaalsContact C-N 3.29Å; R171-G178 VanDerWaalsContact O-CA 3.3Å; R171-G178 WeakPolarHBondContact O-CA 3.16Å; R171-G179 PolarHBondContact O-N 2.88Å; R171-I183 HydrophobicContact CB-CD1 3.94Å; R171-I183 HydrophobicContact CG-CD1 3.83Å; R171-A240 WeakPolarHBondContact O-CB 3.35Å
172F78.1Confident79.4Confident12 Ų1243.1 Ų43.15%0.05325%0.251CS..G310 helixtrans-80.9-12.6-179.4-68.4-115.9000112.5H164 A167 Y168 N169 W170 M238 N239 A240H164-F172 HydrophobicContact CB-CD1 4.43Å; H164-F172 HydrophobicContact CB-CE1 3.58Å; H164-F172 HydrophobicContact CB-CE2 4.19Å; H164-F172 HydrophobicContact CB-CZ 3.44Å; H164-F172 VanDerWaalsContact CB-CZ 3.44Å; H164-F172 AromaticContact CD2-CD1 3.44Å; H164-F172 VanDerWaalsContact CD2-CD1 3.44Å; H164-F172 WeakPolarHBondContact CD2-CD1 3.43Å; H164-F172 AromaticContact CD2-CD2 3.93Å; H164-F172 AromaticContact CD2-CE1 3.5Å; H164-F172 VanDerWaalsContact CD2-CE1 3.5Å; H164-F172 WeakPolarHBondContact CD2-CE1 3.48Å; H164-F172 AromaticContact CD2-CE2 3.99Å; H164-F172 AromaticContact CD2-CG 3.67Å; H164-F172 AromaticContact CD2-CZ 3.79Å; H164-F172 AromaticContact CG-CE1 3.72Å; H164-F172 AromaticContact CG-CZ 3.96Å; A167-F172 VanDerWaalsContact O-CE2 3.31Å; A167-F172 WeakPolarHBondContact O-CE2 3.5Å; A167-F172 WeakPolarHBondContact O-CZ 3.28Å; Y168-F172 HydrophobicContact CD2-CB 3.95Å; Y168-F172 AromaticContact CD2-CD1 3.84Å; Y168-F172 HydrophobicContact CD2-CD1 3.84Å; Y168-F172 AromaticContact CD2-CG 3.9Å; Y168-F172 HydrophobicContact CD2-CG 3.9Å; Y168-F172 HydrophobicContact CE2-CB 3.66Å; Y168-F172 HydrophobicContact CE2-CD1 4.27Å; Y168-F172 HydrophobicContact CE2-CG 4.15Å; N169-F172 VanDerWaalsContact N-CD2 3.29Å; N169-F172 WeakPolarHBondContact O-CB 3.33Å; N169-F172 VanDerWaalsContact O-CD2 3.26Å; N169-F172 WeakPolarHBondContact O-CD2 3.45Å; N169-F172 PolarHBondContact O-N 2.83Å; N169-F172 VanDerWaalsContact O-N 3.07Å; W170-F172 PolarHBondContact O-N 3.39Å; F172-M238 HydrophobicContact CD1-CE 3.4Å; F172-M238 HydrophobicContact CD1-CG 3.81Å; F172-M238 HydrophobicContact CD1-SD 3.64Å; F172-M238 HydrophobicContact CE1-CE 3.69Å; F172-M238 HydrophobicContact CE1-SD 3.93Å; F172-M238 HydrophobicContact CG-CE 4.41Å; F172-N239 PolarHBondContact O-N 2.93Å; F172-A240 WeakPolarHBondContact O-CB 3.38Å; F172-A240 PolarHBondContact O-N 2.77Å
173E84.1Confident80.2Confident60 Ų6040.9 Ų40.928%0.2823%0.232SC..  trans-118123-175.4-68.1176.3-172.700111.3Y168 W170 R171 L175 S176 G178 N239Y168-E173 WeakPolarHBondContact OH-CG 3.23Å; Y168-E173 PolarHBondContact OH-OE1 2.86Å; W170-E173 PolarHBondContact O-N 3.11Å; R171-E173 VanDerWaalsContact C-N 3.29Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 2.73Å; E173-S176 PolarHBondContact O-N 2.93Å; E173-S176 VanDerWaalsContact O-N 3.17Å; E173-S176 PolarHBondContact OE2-OG 3.3Å; E173-G178 WeakPolarHBondContact O-CA 3.4Å; E173-G178 PolarHBondContact O-N 3.43Å; E173-N239 WeakPolarHBondContact CA-OD1 3.14Å
174Q86Confident81.2Confident74 Ų7440.3 Ų40.335%0.34623%0.229SC..THydrogen-bonded Turntrans-60.3-39.8178.5-171.4-178.74.800112.4S176 G177 N239Q174-S176 VanDerWaalsContact C-N 3.27Å; Q174-S176 PolarHBondContact O-N 3.46Å; Q174-G177 PolarHBondContact O-N 3.09Å; Q174-G177 VanDerWaalsContact O-N 3.15Å; Q174-N239 PolarHBondContact N-OD1 2.91Å
175L87.3Confident82.6Confident151 Ų15138.7 Ų38.779%0.79122%0.222SC*.THydrogen-bonded Turntrans-68.8-26.7179.5-67178.1000112.8E173 G177E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 2.73Å; L175-G177 PolarHBondContact O-N 2.95Å
176S85.2Confident84.1Confident13 Ų1336.9 Ų36.99%0.09120%0.201CC..THydrogen-bonded Turntrans-85.810175.9-62.10000112.4P79 L104 E173 Q174P79-S176 VanDerWaalsContact CG-O 3.31Å; P79-S176 WeakPolarHBondContact CG-O 3.49Å; L104-S176 VanDerWaalsContact CD2-C 3.43Å; E173-S176 PolarHBondContact O-N 2.93Å; E173-S176 VanDerWaalsContact O-N 3.17Å; E173-S176 PolarHBondContact OE2-OG 3.3Å; Q174-S176 VanDerWaalsContact C-N 3.27Å; Q174-S176 PolarHBondContact O-N 3.46Å
177G84.5Confident85.7Confident5 Ų530.1 Ų30.15%0.05215%0.154CC..THydrogen-bonded Turntrans84.19178.800000114.1W170 Q174 L175 N182W170-G177 WeakPolarHBondContact CZ3-O 3.41Å; Q174-G177 PolarHBondContact O-N 3.09Å; Q174-G177 VanDerWaalsContact O-N 3.15Å; L175-G177 PolarHBondContact O-N 2.95Å; G177-N182 VanDerWaalsContact O-CB 3.24Å; G177-N182 WeakPolarHBondContact O-CB 3.49Å; G177-N182 PolarHBondContact O-ND2 3.37Å
178G85.6Confident87Confident0 Ų027.2 Ų27.20%013%0.129CC..  trans-68.6-179.717300000113.6R171 E173 N182R171-G178 VanDerWaalsContact O-CA 3.3Å; R171-G178 WeakPolarHBondContact O-CA 3.16Å; E173-G178 WeakPolarHBondContact O-CA 3.4Å; E173-G178 PolarHBondContact O-N 3.43Å; G178-N182 PolarHBondContact O-ND2 2.85Å
179G89.7Confident88.3Confident0 Ų023.4 Ų23.40%011%0.114CC..SBendtrans97.1152.1-179.800000114.7R171 L181 N182 I183 D241R171-G179 PolarHBondContact O-N 2.88Å; G179-L181 VanDerWaalsContact C-N 3.33Å; G179-L181 PolarHBondContact O-N 2.85Å; G179-N182 PolarHBondContact O-N 3.28Å; G179-I183 WeakPolarHBondContact O-CB 3.33Å; G179-I183 VanDerWaalsContact O-CG1 3.3Å; G179-I183 WeakPolarHBondContact O-CG1 3.39Å; G179-I183 PolarHBondContact O-N 2.85Å; G179-D241 CarbonylContact C-O 3.59Å; G179-D241 WeakPolarHBondContact CA-O 3.29Å; G179-D241 VanDerWaalsContact CA-OD1 3.32Å; G179-D241 WeakPolarHBondContact CA-OD1 3.27Å
180L92.5Very high89.3Confident1 Ų121 Ų211%0.00510%0.102CC..Hα-helixtrans-61.7-40.8-173.9-175.357.3000112.4T160 L163 N182 I183 V184 G185 D241 N242 L260 A262T160-L180 HydrophobicContact CG2-CD1 3.92Å; L163-L180 VanDerWaalsContact CD1-CA 3.42Å; L163-L180 HydrophobicContact CD1-CB 3.62Å; L163-L180 HydrophobicContact CD1-CD1 3.91Å; L163-L180 HydrophobicContact CD1-CG 4.34Å; L163-L180 HydrophobicContact CD2-CD1 4.11Å; L163-L180 HydrophobicContact CG-CD1 4.39Å; L180-N182 PolarHBondContact O-N 3.45Å; L180-I183 PolarHBondContact O-N 2.76Å; L180-V184 HydrophobicContact CD1-CB 3.65Å; L180-V184 HydrophobicContact CD1-CG1 4.35Å; L180-V184 HydrophobicContact CD1-CG2 3.58Å; L180-V184 WeakPolarHBondContact O-CA 3.1Å; L180-V184 PolarHBondContact O-N 2.92Å; L180-G185 PolarHBondContact O-N 3.29Å; L180-D241 PolarHBondContact N-O 3.32Å; L180-D241 PolarHBondContact N-OD2 2.77Å; L180-D241 VanDerWaalsContact N-OD2 3.09Å; L180-N242 VanDerWaalsContact CD2-O 3.3Å; L180-N242 WeakPolarHBondContact CD2-O 3.35Å; L180-L260 VanDerWaalsContact CD2-C 3.41Å; L180-L260 HydrophobicContact CD2-CB 3.48Å; L180-L260 VanDerWaalsContact CD2-CB 3.48Å; L180-L260 HydrophobicContact CG-CB 3.82Å; L180-L260 HydrophobicContact CG-CD1 4.41Å; L180-A262 HydrophobicContact CD1-CB 4.1Å; L180-A262 HydrophobicContact CD2-CB 3.92Å; L180-A262 HydrophobicContact CG-CB 4.49Å
181L95.1Very high90Very high0 Ų018.8 Ų18.80%09%0.093CC..Iπ-helixtrans-62.3-42.6178.8178.660.4000112G179 G185 S186 I189 V207 D241 F246 V386 I389 K390G179-L181 VanDerWaalsContact C-N 3.33Å; G179-L181 PolarHBondContact O-N 2.85Å; L181-G185 CarbonylContact O-C 3.57Å; L181-G185 WeakPolarHBondContact O-CA 3.42Å; L181-G185 PolarHBondContact O-N 3.41Å; L181-G185 VanDerWaalsContact O-N 3.16Å; L181-S186 PolarHBondContact O-N 3.07Å; L181-I189 HydrophobicContact CD1-CD1 4.41Å; L181-V207 HydrophobicContact CD2-CG2 3.84Å; L181-D241 WeakPolarHBondContact CB-OD2 3.47Å; L181-D241 PolarHBondContact N-OD2 3.29Å; L181-F246 HydrophobicContact CD1-CE1 4.15Å; L181-V386 HydrophobicContact CD2-CG1 4.2Å; L181-V386 HydrophobicContact CG-CG1 4.14Å; L181-V386 HydrophobicContact CG-CG2 4.45Å; L181-I389 HydrophobicContact CD1-CD1 4.08Å; L181-I389 HydrophobicContact CD1-CG2 4.33Å; L181-I389 HydrophobicContact CD2-CB 4.16Å; L181-I389 HydrophobicContact CD2-CG2 3.77Å; L181-K390 HydrophobicContact CD2-CG 3.92Å
182N92.5Very high90.9Very high6 Ų616 Ų163%0.0328%0.083CC..Iπ-helixtrans-73.8-39.7178.6-69.6-44.7000111.9G177 G178 G179 L180 S186 V386 K390G177-N182 VanDerWaalsContact O-CB 3.24Å; G177-N182 WeakPolarHBondContact O-CB 3.49Å; G177-N182 PolarHBondContact O-ND2 3.37Å; G178-N182 PolarHBondContact O-ND2 2.85Å; G179-N182 PolarHBondContact O-N 3.28Å; L180-N182 PolarHBondContact O-N 3.45Å; N182-S186 WeakPolarHBondContact O-CB 3.31Å; N182-S186 PolarHBondContact O-OG 3.32Å; N182-V386 VanDerWaalsContact OD1-CG1 3.28Å; N182-V386 WeakPolarHBondContact OD1-CG1 3.37Å; N182-K390 PolarHBondContact OD1-NZ 3.33Å
183I88.5Confident91.8Very high0 Ų016 Ų160%08%0.084CC..Iπ-helixtrans-81.8-51.3-172.3-64171.1000111.2W170 R171 G179 L180 H187 C324W170-I183 HydrophobicContact CH2-CG1 4.45Å; R171-I183 HydrophobicContact CB-CD1 3.94Å; R171-I183 HydrophobicContact CG-CD1 3.83Å; G179-I183 WeakPolarHBondContact O-CB 3.33Å; G179-I183 VanDerWaalsContact O-CG1 3.3Å; G179-I183 WeakPolarHBondContact O-CG1 3.39Å; G179-I183 PolarHBondContact O-N 2.85Å; L180-I183 PolarHBondContact O-N 2.76Å; I183-H187 PolarHBondContact O-CD2 3.02Å; I183-C324 WeakPolarHBondContact CG2-SG 3.48Å
184V91Very high92.4Very high0 Ų014 Ų140%07%0.074CC..Iπ-helixtrans-101.8-40.9-176.7178.20000110.9V158 L163 L180 S186 H187 V188 L260V158-V184 HydrophobicContact CB-CG1 4.2Å; V158-V184 HydrophobicContact CG1-CG1 3.64Å; V158-V184 HydrophobicContact CG2-CG1 4.48Å; L163-V184 HydrophobicContact CD2-CG2 4.45Å; L180-V184 HydrophobicContact CD1-CB 3.65Å; L180-V184 HydrophobicContact CD1-CG1 4.35Å; L180-V184 HydrophobicContact CD1-CG2 3.58Å; L180-V184 WeakPolarHBondContact O-CA 3.1Å; L180-V184 PolarHBondContact O-N 2.92Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 2.64Å; V184-H187 WeakPolarHBondContact O-CB 3.43Å; V184-H187 PolarHBondContact O-N 3.45Å; V184-V188 HydrophobicContact CG1-CG2 4.35Å; V184-V188 PolarHBondContact O-N 3.2Å; V184-V188 VanDerWaalsContact O-N 3.17Å; V184-L260 HydrophobicContact CG1-CD2 4.49Å
185G94.7Very high92.9Very high0 Ų010.8 Ų10.80%06%0.06CC..Iπ-helixtrans-59.8-38.1-177.900000112.9L180 L181 H187 V188 I189 L260L180-G185 PolarHBondContact O-N 3.29Å; L181-G185 CarbonylContact O-C 3.57Å; L181-G185 WeakPolarHBondContact O-CA 3.42Å; L181-G185 PolarHBondContact O-N 3.41Å; L181-G185 VanDerWaalsContact O-N 3.16Å; G185-H187 VanDerWaalsContact C-N 3.31Å; G185-H187 PolarHBondContact O-N 2.95Å; G185-V188 PolarHBondContact O-N 2.98Å; G185-V188 VanDerWaalsContact O-N 3.09Å; G185-I189 WeakPolarHBondContact O-CB 3.48Å; G185-I189 WeakPolarHBondContact O-CD1 3.4Å; G185-I189 VanDerWaalsContact O-CG1 3.23Å; G185-I189 WeakPolarHBondContact O-CG1 3.46Å; G185-I189 PolarHBondContact O-N 3.18Å; G185-L260 VanDerWaalsContact CA-CD1 3.41Å
186S95.1Very high93.3Very high10 Ų104.9 Ų4.97%0.073%0.03CC..Hα-helixtrans-57.6-41.2173.9-64.40000112.9F128 L181 N182 V184 D190F128-S186 VanDerWaalsContact CE1-O 3.3Å; F128-S186 WeakPolarHBondContact CE1-O 3.49Å; L181-S186 PolarHBondContact O-N 3.07Å; N182-S186 WeakPolarHBondContact O-CB 3.31Å; N182-S186 PolarHBondContact O-OG 3.32Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 2.64Å; S186-D190 WeakPolarHBondContact O-CB 3.23Å; S186-D190 PolarHBondContact O-N 2.85Å; S186-D190 VanDerWaalsContact O-N 3.12Å
187H93.5Very high93.8Very high1 Ų17.2 Ų7.21%0.0056%0.056CC..Hα-helixtrans-65.2-39.4174.1-77.6-71.1000112.9V100 G127 F128 M130 I183 V184 G185 L191V100-H187 WeakPolarHBondContact CG2-CE1 3.22Å; V100-H187 WeakPolarHBondContact CG2-NE2 3.48Å; G127-H187 PolarHBondContact O-CE1 3.37Å; G127-H187 VanDerWaalsContact O-CE1 3.29Å; F128-H187 AromaticContact CD1-ND1 3.94Å; M130-H187 HydrophobicContact CE-CB 3.75Å; M130-H187 HydrophobicContact CG-CB 4.18Å; M130-H187 HydrophobicContact SD-CB 3.69Å; I183-H187 PolarHBondContact O-CD2 3.02Å; V184-H187 WeakPolarHBondContact O-CB 3.43Å; V184-H187 PolarHBondContact O-N 3.45Å; G185-H187 VanDerWaalsContact C-N 3.31Å; G185-H187 PolarHBondContact O-N 2.95Å; H187-L191 WeakPolarHBondContact O-CB 3.32Å; H187-L191 PolarHBondContact O-N 3.22Å
188V95.9Very high94.3Very high1 Ų110.9 Ų10.91%0.0067%0.071CC..Hα-helixtrans-71.3-41.2-178.6179.20000111.5A156 V158 V184 G185 L191 I192 V258 L260A156-V188 HydrophobicContact CB-CG1 3.93Å; V158-V188 HydrophobicContact CG2-CG2 3.61Å; V184-V188 HydrophobicContact CG1-CG2 4.35Å; V184-V188 PolarHBondContact O-N 3.2Å; V184-V188 VanDerWaalsContact O-N 3.17Å; G185-V188 PolarHBondContact O-N 2.98Å; G185-V188 VanDerWaalsContact O-N 3.09Å; V188-L191 WeakPolarHBondContact O-CB 3.23Å; V188-L191 PolarHBondContact O-N 3.43Å; V188-I192 HydrophobicContact CG1-CD1 3.87Å; V188-I192 HydrophobicContact CG1-CG1 4.46Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.19Å; V188-I192 PolarHBondContact O-N 2.77Å; V188-V258 HydrophobicContact CG1-CG1 3.69Å; V188-V258 HydrophobicContact CG1-CG2 4.24Å; V188-L260 HydrophobicContact CG2-CD2 4.04Å
189I97.9Very high94.8Very high0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-59.3-49.6174.9-68161.3000109.9L181 G185 L191 I192 C193 F246 M248 V382 V385 V386 I389L181-I189 HydrophobicContact CD1-CD1 4.41Å; G185-I189 WeakPolarHBondContact O-CB 3.48Å; G185-I189 WeakPolarHBondContact O-CD1 3.4Å; G185-I189 VanDerWaalsContact O-CG1 3.23Å; G185-I189 WeakPolarHBondContact O-CG1 3.46Å; G185-I189 PolarHBondContact O-N 3.18Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 3.5Å; I189-I192 PolarHBondContact O-N 2.76Å; I189-C193 PolarHBondContact O-N 2.77Å; I189-C193 VanDerWaalsContact O-N 3.07Å; I189-F246 HydrophobicContact CD1-CZ 4.27Å; I189-F246 HydrophobicContact CG1-CE2 3.97Å; I189-F246 HydrophobicContact CG1-CZ 3.79Å; I189-M248 HydrophobicContact CG1-SD 4.29Å; I189-M248 HydrophobicContact CG2-CE 3.98Å; I189-M248 HydrophobicContact CG2-SD 4.41Å; I189-V382 HydrophobicContact CB-CG1 4.34Å; I189-V382 HydrophobicContact CG2-CB 4.47Å; I189-V382 HydrophobicContact CG2-CG1 4.26Å; I189-V382 HydrophobicContact CG2-CG2 4.11Å; I189-V385 HydrophobicContact CD1-CB 4.36Å; I189-V385 HydrophobicContact CD1-CG1 3.85Å; I189-V385 HydrophobicContact CG1-CG1 4.13Å; I189-V385 HydrophobicContact CG2-CB 3.9Å; I189-V385 HydrophobicContact CG2-CG1 3.74Å; I189-V385 HydrophobicContact CG2-CG2 4.08Å; I189-V386 HydrophobicContact CD1-CG2 3.65Å; I189-I389 HydrophobicContact CD1-CD1 3.89Å
190D97.2Very high95.2Very high1 Ų115.4 Ų15.41%0.0059%0.089CC..Hα-helixtrans-57.5-47176177.780000112.1F128 R131 S186 I192 C193 F194 V382F128-D190 HydrophobicContact CB-CB 4.24Å; F128-D190 VanDerWaalsContact CB-OD2 3.23Å; F128-D190 WeakPolarHBondContact CB-OD2 3.38Å; F128-D190 HydrophobicContact CD1-CB 3.51Å; F128-D190 HydrophobicContact CD2-CB 4.16Å; F128-D190 WeakPolarHBondContact CD2-OD1 3.37Å; F128-D190 HydrophobicContact CE1-CB 3.76Å; F128-D190 HydrophobicContact CE2-CB 4.36Å; F128-D190 HydrophobicContact CG-CB 3.73Å; F128-D190 HydrophobicContact CZ-CB 4.19Å; R131-D190 WeakPolarHBondContact CD-OD2 3.3Å; R131-D190 VanDerWaalsContact CG-OD2 3.28Å; R131-D190 WeakPolarHBondContact CG-OD2 3.46Å; R131-D190 IonicContact CZ-OD1 3.4Å; R131-D190 VanDerWaalsContact CZ-OD1 3.27Å; R131-D190 IonicContact CZ-OD2 2.77Å; R131-D190 VanDerWaalsContact NE-CG 3.34Å; R131-D190 IonicContact NE-OD1 2.71Å; R131-D190 PolarHBondContact NE-OD1 2.96Å; R131-D190 IonicContact NE-OD2 3.31Å; R131-D190 PolarHBondContact NE-OD2 2.93Å; R131-D190 IonicContact NH2-OD1 2.63Å; R131-D190 PolarHBondContact NH2-OD1 2.86Å; R131-D190 IonicContact NH2-OD2 2.64Å; S186-D190 WeakPolarHBondContact O-CB 3.23Å; S186-D190 PolarHBondContact O-N 2.85Å; S186-D190 VanDerWaalsContact O-N 3.12Å; D190-I192 PolarHBondContact O-N 3.41Å; D190-C193 PolarHBondContact O-N 3.4Å; D190-F194 WeakPolarHBondContact O-CB 3.26Å; D190-F194 PolarHBondContact O-N 3.18Å; D190-V382 HydrophobicContact CB-CG2 3.94Å
191L96.1Very high95.5Very high1 Ų118.2 Ų18.21%0.00511%0.106CC..Hα-helixtrans-58.8-45.3179.5177.863.6000112.1I136 H187 V188 I189 F194 L195I136-L191 HydrophobicContact CB-CD1 4.21Å; I136-L191 HydrophobicContact CD1-CD1 3.87Å; I136-L191 HydrophobicContact CD1-CD2 4.12Å; I136-L191 HydrophobicContact CG1-CD1 3.87Å; I136-L191 HydrophobicContact CG2-CD1 3.28Å; H187-L191 WeakPolarHBondContact O-CB 3.32Å; H187-L191 PolarHBondContact O-N 3.22Å; V188-L191 WeakPolarHBondContact O-CB 3.23Å; V188-L191 PolarHBondContact O-N 3.43Å; I189-L191 VanDerWaalsContact C-N 3.34Å; I189-L191 PolarHBondContact O-N 3.5Å; L191-F194 PolarHBondContact O-N 2.87Å; L191-L195 HydrophobicContact CD1-CD1 4.06Å; L191-L195 HydrophobicContact CD1-CG 4.26Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.06Å; L191-L195 PolarHBondContact O-N 2.81Å
192I97.8Very high95.6Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-62.9-48.6178.2-69.7164.6000109.9I154 A156 V188 I189 D190 F194 L195 V196 M248 F250 A256 V258I154-I192 HydrophobicContact CD1-CG2 4.45Å; I154-I192 HydrophobicContact CG2-CG1 4.26Å; A156-I192 HydrophobicContact CB-CD1 4.42Å; V188-I192 HydrophobicContact CG1-CD1 3.87Å; V188-I192 HydrophobicContact CG1-CG1 4.46Å; V188-I192 VanDerWaalsContact O-CG1 3.29Å; V188-I192 WeakPolarHBondContact O-CG1 3.19Å; V188-I192 PolarHBondContact O-N 2.77Å; I189-I192 PolarHBondContact O-N 2.76Å; D190-I192 PolarHBondContact O-N 3.41Å; I192-F194 VanDerWaalsContact C-N 3.29Å; I192-F194 PolarHBondContact O-N 3.11Å; I192-L195 PolarHBondContact O-N 2.9Å; I192-V196 HydrophobicContact CG2-CG2 4.21Å; I192-V196 WeakPolarHBondContact O-CB 3.3Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.47Å; I192-V196 PolarHBondContact O-N 2.85Å; I192-M248 HydrophobicContact CD1-SD 4.13Å; I192-M248 HydrophobicContact CG2-CE 4.49Å; I192-M248 HydrophobicContact CG2-SD 4.36Å; I192-F250 HydrophobicContact CG2-CE2 4.32Å; I192-F250 HydrophobicContact CG2-CZ 3.96Å; I192-A256 HydrophobicContact CD1-CB 3.96Å; I192-A256 HydrophobicContact CG1-CB 4.46Å; I192-A256 HydrophobicContact CG2-CB 3.64Å; I192-V258 HydrophobicContact CD1-CG2 3.4Å
193C97.1Very high95.9Very high12 Ų1218 Ų188%0.08111%0.105CC..Hα-helixtrans-60.3-39.6177.5-75.80000112.6I189 D190 G197 K198 Y381I189-C193 PolarHBondContact O-N 2.77Å; I189-C193 VanDerWaalsContact O-N 3.07Å; D190-C193 PolarHBondContact O-N 3.4Å; C193-G197 WeakPolarHBondContact O-CA 3.08Å; C193-G197 PolarHBondContact O-N 3.01Å; C193-K198 WeakPolarHBondContact CA-O 3.43Å; C193-K198 WeakPolarHBondContact CB-O 3.5Å; C193-K198 PolarHBondContact O-N 3.25Å; C193-K198 PolarHBondContact SG-O 3.25Å; C193-K198 VanDerWaalsContact SG-O 3.41Å; C193-Y381 VanDerWaalsContact SG-CE1 3.51Å
194F96.4Very high96.3Very high17 Ų1721.3 Ų21.38%0.07512%0.12CC..Hα-helixtrans-62-45174.9173.7-109.5000112.2R131 I136 H140 D190 L191 I192 G197R131-F194 HydrophobicContact CB-CD1 4.35Å; R131-F194 HydrophobicContact CB-CE1 4.37Å; R131-F194 HydrophobicContact CG-CB 4.13Å; R131-F194 HydrophobicContact CG-CD1 4.02Å; R131-F194 HydrophobicContact CG-CD2 4.21Å; R131-F194 HydrophobicContact CG-CG 3.85Å; I136-F194 HydrophobicContact CG2-CD1 4.17Å; I136-F194 HydrophobicContact CG2-CE1 4.01Å; H140-F194 HydrophobicContact CB-CD1 4.48Å; H140-F194 HydrophobicContact CB-CE1 3.68Å; H140-F194 HydrophobicContact CB-CZ 4.04Å; H140-F194 PolarHBondContact CD2-O 3.17Å; H140-F194 AromaticContact CE1-CE2 3.72Å; H140-F194 AromaticContact CE1-CZ 3.62Å; H140-F194 AromaticContact CG-CE1 3.66Å; H140-F194 AromaticContact CG-CZ 3.58Å; H140-F194 AromaticContact ND1-CE1 3.94Å; H140-F194 AromaticContact ND1-CE2 3.97Å; H140-F194 AromaticContact ND1-CZ 3.37Å; H140-F194 WeakPolarHBondContact ND1-CZ 3.35Å; D190-F194 WeakPolarHBondContact O-CB 3.26Å; D190-F194 PolarHBondContact O-N 3.18Å; L191-F194 PolarHBondContact O-N 2.87Å; I192-F194 VanDerWaalsContact C-N 3.29Å; I192-F194 PolarHBondContact O-N 3.11Å; F194-G197 PolarHBondContact O-N 2.99Å
195L97Very high96.6Very high8 Ų822.1 Ų22.14%0.04213%0.129CC..Hα-helixtrans-72.4-39.2-178.4-70.1174.6000113.4I136 T139 H140 L143 I154 L191 I192 G197 L272I136-L195 HydrophobicContact CG2-CD2 4.39Å; T139-L195 HydrophobicContact CG2-CD1 4.48Å; T139-L195 HydrophobicContact CG2-CD2 3.97Å; H140-L195 HydrophobicContact CB-CD2 3.78Å; L143-L195 HydrophobicContact CD1-CB 3.96Å; L143-L195 HydrophobicContact CD1-CD2 4.15Å; I154-L195 HydrophobicContact CD1-CB 4.41Å; L191-L195 HydrophobicContact CD1-CD1 4.06Å; L191-L195 HydrophobicContact CD1-CG 4.26Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.06Å; L191-L195 PolarHBondContact O-N 2.81Å; I192-L195 PolarHBondContact O-N 2.9Å; L195-G197 VanDerWaalsContact C-N 3.33Å; L195-L272 HydrophobicContact CD1-CD2 3.17Å; L195-L272 HydrophobicContact CD1-CG 4.48Å
196V95.9Very high96.8Very high26 Ų2625.5 Ų25.516%0.15815%0.149CC..Hα-helixtrans-73.5-29.9176.21800000110.7L151 I154 I192 K198 F250 M254L151-V196 HydrophobicContact CD2-CG2 4.02Å; I154-V196 HydrophobicContact CD1-CG2 3.65Å; I192-V196 HydrophobicContact CG2-CG2 4.21Å; I192-V196 WeakPolarHBondContact O-CB 3.3Å; I192-V196 VanDerWaalsContact O-CG2 3.27Å; I192-V196 WeakPolarHBondContact O-CG2 3.47Å; I192-V196 PolarHBondContact O-N 2.85Å; V196-K198 VanDerWaalsContact C-N 3.26Å; V196-K198 HydrophobicContact CG1-CB 3.85Å; V196-K198 HydrophobicContact CG1-CD 4.23Å; V196-K198 HydrophobicContact CG1-CG 4.07Å; V196-F250 HydrophobicContact CB-CE1 4.17Å; V196-F250 HydrophobicContact CB-CZ 4.26Å; V196-F250 HydrophobicContact CG1-CD1 4.03Å; V196-F250 HydrophobicContact CG1-CE1 3.84Å; V196-F250 HydrophobicContact CG1-CZ 4.22Å; V196-F250 HydrophobicContact CG2-CE1 4.41Å; V196-F250 HydrophobicContact CG2-CE2 4.41Å; V196-F250 HydrophobicContact CG2-CZ 4.01Å; V196-M254 HydrophobicContact CG1-SD 4.47Å; V196-M254 HydrophobicContact CG2-CE 4Å; V196-M254 HydrophobicContact CG2-SD 4.1Å
197G95.1Very high96.9Very high63 Ų6326.2 Ų26.265%0.64915%0.153SC*.THydrogen-bonded Turntrans72.719.8-172.700000113.2C193 F194 L195C193-G197 WeakPolarHBondContact O-CA 3.08Å; C193-G197 PolarHBondContact O-N 3.01Å; F194-G197 PolarHBondContact O-N 2.99Å; L195-G197 VanDerWaalsContact C-N 3.33Å
198K95.6Very high96.9Very high82 Ų8230.5 Ų30.536%0.35717%0.173SC..SBendtrans-139.5168-178.1-59.4-177.2179.3-173.80111.3C193 V196 F250 D251 D252C193-K198 WeakPolarHBondContact CA-O 3.43Å; C193-K198 WeakPolarHBondContact CB-O 3.5Å; C193-K198 PolarHBondContact O-N 3.25Å; C193-K198 PolarHBondContact SG-O 3.25Å; C193-K198 VanDerWaalsContact SG-O 3.41Å; V196-K198 VanDerWaalsContact C-N 3.26Å; V196-K198 HydrophobicContact CG1-CB 3.85Å; V196-K198 HydrophobicContact CG1-CD 4.23Å; V196-K198 HydrophobicContact CG1-CG 4.07Å; K198-F250 HydrophobicContact CB-CD1 3.78Å; K198-F250 HydrophobicContact CB-CE1 4.04Å; K198-D251 IonicContact NZ-OD1 3.19Å; K198-D252 IonicContact NZ-OD2 3.85Å; K198-D252 PolarHBondContact NZ-OD2 2.64Å
199R96.9Very high96.7Very high90 Ų9033.6 Ų33.634%0.3420%0.195SC..  trans-103.7133.7171-73.9178.7174.1167.39.6109E377 Y381R199-E377 IonicContact CZ-OE1 3.44Å; R199-E377 VanDerWaalsContact CZ-OE1 3.29Å; R199-E377 IonicContact NH1-OE1 2.9Å; R199-E377 PolarHBondContact NH1-OE1 3.11Å; R199-E377 IonicContact NH2-OE1 3.66Å; R199-E377 PolarHBondContact NH2-OE1 2.87Å; R199-Y381 HydrophobicContact CB-CD2 4.24Å; R199-Y381 HydrophobicContact CB-CE1 4.14Å; R199-Y381 HydrophobicContact CB-CE2 3.56Å; R199-Y381 VanDerWaalsContact CD-CD2 3.41Å; R199-Y381 HydrophobicContact CG-CD1 4.01Å; R199-Y381 HydrophobicContact CG-CD2 3.86Å; R199-Y381 HydrophobicContact CG-CE1 3.84Å; R199-Y381 HydrophobicContact CG-CE2 3.67Å; R199-Y381 HydrophobicContact CG-CG 4.02Å
200A97.8Very high96.2Very high4 Ų436.6 Ų36.63%0.03321%0.21CC..  trans-63.7149.6167.800000110.7M248 R249 F250 Y381 I401A200-M248 HydrophobicContact CB-CB 3.87Å; A200-M248 HydrophobicContact CB-CE 3.75Å; A200-R249 CarbonylContact C-O 3.47Å; A200-R249 WeakPolarHBondContact CA-O 3.21Å; A200-R249 WeakPolarHBondContact CB-O 3.3Å; A200-F250 HydrophobicContact CB-CD1 4.36Å; A200-F250 HydrophobicContact CB-CD2 4.5Å; A200-F250 HydrophobicContact CB-CE1 4.16Å; A200-F250 HydrophobicContact CB-CE2 4.29Å; A200-F250 HydrophobicContact CB-CZ 4.11Å; A200-Y381 WeakPolarHBondContact CA-OH 3.36Å; A200-Y381 WeakPolarHBondContact CB-OH 3.45Å; A200-Y381 PolarHBondContact N-OH 3.27Å; A200-Y381 PolarHBondContact O-OH 2.95Å; A200-I401 HydrophobicContact CB-CD1 3.88Å; A200-I401 WeakPolarHBondContact O-CD1 3.23Å
201V97.9Very high95.4Very high61 Ų6142.5 Ų42.537%0.3725%0.249SC..SBendtrans-104-22.1-178.6-63.10000112.9R249 D251 H400 I401V201-R249 WeakPolarHBondContact CG2-O 3.49Å; V201-R249 PolarHBondContact N-O 3.34Å; V201-D251 HydrophobicContact CG1-CB 4.17Å; V201-H400 PolarHBondContact O-ND1 3.02Å; V201-I401 PolarHBondContact O-N 2.99Å
202C97.7Very high94Very high0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-149.7149.9-177.6-179.60000110.8R249 V399C202-R249 HydrophobicContact CB-CB 4.45Å; C202-R249 PolarHBondContact N-O 3.12Å; C202-R249 PolarHBondContact O-N 2.9Å; C202-R249 PolarHBondContact SG-NH2 3.09Å; C202-V399 WeakPolarHBondContact CA-O 3.1Å; C202-V399 PolarHBondContact SG-O 2.98Å
203V98.4Very high91.9Very high0 Ų050.3 Ų50.30%030%0.302CS..EExtended strand (participates in β ladder)trans-131.5153.4174.6-66.90000111.6L247 M248 V385 A388 I389 V399 I401V203-L247 VanDerWaalsContact CA-O 3.23Å; V203-L247 WeakPolarHBondContact CA-O 3.43Å; V203-M248 HydrophobicContact CG1-CG 4.1Å; V203-V385 HydrophobicContact CG1-CG1 3.98Å; V203-A388 HydrophobicContact CG2-CB 3.51Å; V203-I389 HydrophobicContact CB-CG1 3.94Å; V203-I389 HydrophobicContact CG1-CG1 4.08Å; V203-I389 HydrophobicContact CG2-CG1 3.92Å; V203-V399 PolarHBondContact N-O 3.38Å; V203-V399 PolarHBondContact O-N 3.21Å; V203-I401 HydrophobicContact CG1-CD1 3.92Å; V203-I401 HydrophobicContact CG1-CG1 4.23Å; V203-I401 HydrophobicContact CG2-CG1 4.46Å
204Q97.7Very high89.6Confident70 Ų7054 Ų5433%0.32733%0.328SS..EExtended strand (participates in β ladder)trans-136.7153.4164.257.7175.4-50.600108.1F246 L247 D398Q204-F246 CarbonylContact O-C 3.54Å; Q204-F246 WeakPolarHBondContact O-CA 3.36Å; Q204-F246 VanDerWaalsContact O-CB 3.24Å; Q204-F246 WeakPolarHBondContact O-CB 3.22Å; Q204-L247 HydrophobicContact CG-CB 3.69Å; Q204-L247 HydrophobicContact CG-CD1 3.94Å; Q204-L247 HydrophobicContact CG-CG 4.32Å; Q204-L247 PolarHBondContact N-O 2.85Å; Q204-L247 VanDerWaalsContact N-O 3.12Å; Q204-L247 PolarHBondContact O-N 2.73Å; Q204-D398 WeakPolarHBondContact CB-OD1 3.48Å
205G97.7Very high87.2Confident18 Ų1861.5 Ų61.519%0.18637%0.368CS..EExtended strand (participates in β ladder)trans172.1176.9177.500000114.6S245 S393G205-S245 CarbonylContact C-O 3.55Å; G205-S245 WeakPolarHBondContact CA-O 3.23Å; G205-S393 WeakPolarHBondContact O-CA 3.49Å; G205-S393 WeakPolarHBondContact O-CB 3.24Å; G205-S393 PolarHBondContact O-N 3.17Å
206V97.6Very high84.4Confident70 Ų7069 Ų6942%0.42440%0.403SS..EExtended strand (participates in β ladder)trans-126130.4179.8176.40000107.9Q208 C244 S245V206-Q208 HydrophobicContact CG1-CG 3.69Å; V206-C244 CarbonylContact O-C 3.54Å; V206-C244 VanDerWaalsContact O-CA 3.28Å; V206-C244 WeakPolarHBondContact O-CA 3.42Å; V206-S245 PolarHBondContact N-O 2.92Å; V206-S245 PolarHBondContact O-N 3.19Å
207V97Very high81.3Confident25 Ų2572.7 Ų72.715%0.15243%0.43CS..EExtended strand (participates in β ladder)trans-122.8121.8177-176.40000107.5L181 D241 I389 S393L181-V207 HydrophobicContact CD2-CG2 3.84Å; V207-D241 HydrophobicContact CG1-CB 3.45Å; V207-D241 VanDerWaalsContact CG1-CB 3.45Å; V207-I389 HydrophobicContact CG2-CG2 3.75Å; V207-S393 PolarHBondContact N-OG 3.38Å
208Q94.2Very high78.3Confident91 Ų9174.4 Ų74.443%0.42543%0.432SS..EExtended strand (participates in β ladder)trans-135.5140.1-172.7-73.7176.1-36.100112V206 L210 D241 N242 V243V206-Q208 HydrophobicContact CG1-CG 3.69Å; Q208-L210 HydrophobicContact CB-CD2 4.01Å; Q208-L210 HydrophobicContact CB-CG 4.14Å; Q208-D241 WeakPolarHBondContact O-CA 3.41Å; Q208-N242 PolarHBondContact O-N 2.82Å; Q208-N242 PolarHBondContact O-OD1 3.12Å; Q208-V243 PolarHBondContact N-O 3.47Å; Q208-V243 PolarHBondContact O-N 2.8Å; Q208-V243 VanDerWaalsContact O-N 3.1Å
209S91.5Very high75.2Confident66 Ų6676 Ų7646%0.46245%0.453SS..  trans-99.695.5163.6169.60000107.9A240S209-A240 PolarHBondContact OG-O 3.29Å
210L88Confident72.3Confident63 Ų6376.2 Ų76.233%0.3347%0.469SS..  trans-91154.6176.3-58.2-174.8000110.8Q208 S212 N242 V243 L263Q208-L210 HydrophobicContact CB-CD2 4.01Å; Q208-L210 HydrophobicContact CB-CG 4.14Å; L210-S212 PolarHBondContact O-N 3.13Å; L210-N242 PolarHBondContact N-OD1 2.97Å; L210-N242 PolarHBondContact O-ND2 3.35Å; L210-V243 HydrophobicContact CD1-CB 4.2Å; L210-V243 HydrophobicContact CD1-CG2 3.75Å; L210-V243 HydrophobicContact CG-CB 4.49Å; L210-V243 HydrophobicContact CG-CG2 4.23Å; L210-L263 HydrophobicContact CB-CD2 3.99Å; L210-L263 HydrophobicContact CD1-CD1 4.4Å; L210-L263 HydrophobicContact CD1-CD2 4.47Å
211P79.7Confident69.1Low126 Ų12681.9 Ų81.982%0.81851%0.508SS*.  trans-57.2126.9169.1-21.733.4000110.1
212S67.6Low66.2Low35 Ų3583.2 Ų83.225%0.24552%0.52CS..  trans-112.4143.7169.255.60000107.8L210 S214L210-S212 PolarHBondContact O-N 3.13Å; S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.13Å
213C52.6Low63Low130 Ų13089 Ų8988%0.87856%0.561SS**  trans-61.599.5170.6-68.80000107.4L215C213-L215 PolarHBondContact O-N 3.44Å
214S50.1Low60.1Low90 Ų9094.5 Ų94.563%0.62960%0.599SS**  trans-59.7133.9160.652.90000106S212 Q216S212-S214 VanDerWaalsContact C-N 3.32Å; S212-S214 PolarHBondContact O-N 3.13Å; S214-Q216 PolarHBondContact O-N 2.92Å
215L45.9Very low56.9Low174 Ų17497 Ų9791%0.91163%0.625SS**  trans-58.789.5156.4-82.7137.2000105.1C213 S217C213-L215 PolarHBondContact O-N 3.44Å; L215-S217 PolarHBondContact O-N 3.21Å; L215-S217 VanDerWaalsContact O-N 3.11Å
216Q36.9Very low54Low165 Ų165101.1 Ų101.177%0.77165%0.65SS**  trans-47.8122153.6-71.5-178.7-7.400103.7S214 S218S214-Q216 PolarHBondContact O-N 2.92Å; Q216-S218 VanDerWaalsContact C-N 3.28Å; Q216-S218 PolarHBondContact O-N 3.48Å
217S31.6Very low50.9Low103 Ų103103.1 Ų103.172%0.7267%0.668SS**  trans-41.5104.8166.936.10000106L215 S219L215-S217 PolarHBondContact O-N 3.21Å; L215-S217 VanDerWaalsContact O-N 3.11Å; S217-S219 PolarHBondContact O-N 3.3Å
218S31.2Very low47.5Very low99 Ų99108 Ų10869%0.69270%0.701SS**  trans-58.4104.9172.638.30000103.7Q216 S220Q216-S218 VanDerWaalsContact C-N 3.28Å; Q216-S218 PolarHBondContact O-N 3.48Å; S218-S220 PolarHBondContact O-N 2.89Å
219S31.2Very low44.6Very low115 Ų115108.3 Ų108.380%0.80471%0.713SS**  trans-54.483.6159.932.90000105.6S217 S221S217-S219 PolarHBondContact O-N 3.3Å; S219-S221 PolarHBondContact O-N 2.94Å
220S35.9Very low41.6Very low96 Ų96113.6 Ų113.667%0.67173%0.731SS**  trans-61.693164.728.30000106.1S218 S222S218-S220 PolarHBondContact O-N 2.89Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.78Å
221S30.2Very low38.9Very low122 Ų122121.3 Ų121.385%0.85376%0.755SS**  trans-28.186.8148.634.90000112.3S219S219-S221 PolarHBondContact O-N 2.94Å
222S37.4Very low36.4Very low89 Ų89124.1 Ų124.162%0.62276%0.758SS**  trans-165.987.515937.50000110.2S220S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.78Å
223S31.9Very low35Very low122 Ų122129.9 Ų129.985%0.85378%0.781SS**  43.888.8127.7-37.40000118.7
224S36.3Very low34.3Very low116 Ų116130.4 Ų130.481%0.81177%0.77SS**  trans-177.7124.2134.939.80000111.7
225S30.8Very low34.4Very low123 Ų123136 Ų13686%0.8678%0.784SS**  trans-70114.7178.846.20000113
226S36.7Very low35.1Very low104 Ų104134 Ų13473%0.72776%0.764SS**  trans-164116.3158.349.60000112
227S32.2Very low36.3Very low112 Ų112137.1 Ų137.178%0.78377%0.769SS**  trans44.797.3165.267.50000118.7S229S227-S229 PolarHBondContact O-N 2.95Å; S227-S229 VanDerWaalsContact O-N 3.09Å
228C26.5Very low38.4Very low127 Ų127135.7 Ų135.786%0.85875%0.751SS**  trans-72.390.3166.9-171.70000110.5
229S32.1Very low41Very low97 Ų97134.1 Ų134.168%0.67874%0.736SS**  trans-84.8107.5157.253.40000107.7S227 R231S227-S229 PolarHBondContact O-N 2.95Å; S227-S229 VanDerWaalsContact O-N 3.09Å; S229-R231 PolarHBondContact O-N 2.8Å
230Q28.7Very low43.8Very low177 Ų177128.8 Ų128.883%0.82770%0.698SS**  trans-53.596.7174.7-71.3171.4-22.700110.3Q232Q230-Q232 PolarHBondContact O-N 3.09Å
231R30.9Very low46.5Very low225 Ų225124.4 Ų124.485%0.84967%0.668SS**  trans-75.4104.2159.5-74.8-175.8-173.8176.52.3105.8S229 E233S229-R231 PolarHBondContact O-N 2.8Å; R231-E233 PolarHBondContact O-N 3.06Å
232Q28.2Very low49.4Very low186 Ų186118.8 Ų118.887%0.86963%0.628SS**  trans-57.8102.1165.2-80.7175.3-45.900107.5Q230 E234Q230-Q232 PolarHBondContact O-N 3.09Å; Q232-E234 PolarHBondContact O-N 3.06Å; Q232-E234 VanDerWaalsContact O-N 3.09Å
233E37.5Very low52.2Low155 Ų155115.3 Ų115.372%0.72460%0.603SS**  trans-69101.4165.3-69.2-176.4168.600106.7R231 F235R231-E233 PolarHBondContact O-N 3.06Å; E233-F235 PolarHBondContact O-N 3.42Å
234E39.1Very low55.3Low142 Ų142109.5 Ų109.566%0.66456%0.562SS**  trans-56.1108.9167.8-87.6-171.6154.100108.1Q232 R236Q232-E234 PolarHBondContact O-N 3.06Å; Q232-E234 VanDerWaalsContact O-N 3.09Å; E234-R236 VanDerWaalsContact C-N 3.25Å; E234-R236 HydrophobicContact CB-CG 4.33Å; E234-R236 PolarHBondContact O-N 2.94Å; E234-R236 IonicContact OE2-CZ 3.46Å; E234-R236 IonicContact OE2-NE 3.11Å; E234-R236 PolarHBondContact OE2-NE 3.31Å; E234-R236 VanDerWaalsContact OE2-NE 3.11Å; E234-R236 IonicContact OE2-NH2 2.89Å; E234-R236 PolarHBondContact OE2-NH2 3.17Å
235F51.9Low58.2Low207 Ų207106 Ų10691%0.90854%0.538SS*.  trans-63.988.8167.4-78.8-87000108.8E233E233-F235 PolarHBondContact O-N 3.42Å
236R59.6Low61.4Low133 Ų133100.5 Ų100.550%0.50250%0.498SS..  trans-81123.5172.2-69.3-170.4-177.9-170.3-0109.4Y168 E234 M238Y168-R236 HydrophobicContact CD2-CB 4.16Å; Y168-R236 HydrophobicContact CE2-CB 3.67Å; Y168-R236 HydrophobicContact CE2-CG 4.47Å; E234-R236 VanDerWaalsContact C-N 3.25Å; E234-R236 HydrophobicContact CB-CG 4.33Å; E234-R236 PolarHBondContact O-N 2.94Å; E234-R236 IonicContact OE2-CZ 3.46Å; E234-R236 IonicContact OE2-NE 3.11Å; E234-R236 PolarHBondContact OE2-NE 3.31Å; E234-R236 VanDerWaalsContact OE2-NE 3.11Å; E234-R236 IonicContact OE2-NH2 2.89Å; E234-R236 PolarHBondContact OE2-NH2 3.17Å; R236-M238 PolarHBondContact O-N 3.16Å
237R62.8Low64.4Low229 Ų22997.8 Ų97.886%0.86448%0.476SS*.  trans-69.5112.6176.8-173.9175.6-178.51700.3109.2
238M75.9Confident67.5Low73 Ų7392.5 Ų92.536%0.3644%0.438SS..  trans-75.7125.8171.6-5617248.100108.4H164 F172 R236H164-M238 HydrophobicContact CB-CE 4.33Å; H164-M238 WeakPolarHBondContact CD2-CE 3.38Å; H164-M238 WeakPolarHBondContact CE1-CE 3.28Å; H164-M238 WeakPolarHBondContact ND1-CE 3.36Å; H164-M238 WeakPolarHBondContact NE2-CE 3.14Å; F172-M238 HydrophobicContact CD1-CE 3.4Å; F172-M238 HydrophobicContact CD1-CG 3.81Å; F172-M238 HydrophobicContact CD1-SD 3.64Å; F172-M238 HydrophobicContact CE1-CE 3.69Å; F172-M238 HydrophobicContact CE1-SD 3.93Å; F172-M238 HydrophobicContact CG-CE 4.41Å; R236-M238 PolarHBondContact O-N 3.16Å
239N86.2Confident70.9Confident67 Ų6791 Ų9136%0.35842%0.415SS..  trans-122.9-0.1179.671.4-8.1000113.4F172 E173 Q174F172-N239 PolarHBondContact O-N 2.93Å; E173-N239 WeakPolarHBondContact CA-OD1 3.14Å; Q174-N239 PolarHBondContact N-OD1 2.91Å
240A88.7Confident74Confident3 Ų386.7 Ų86.73%0.02538%0.384CS..  trans-62.9136.8173.600000111.5R171 F172 S209R171-A240 WeakPolarHBondContact O-CB 3.35Å; F172-A240 WeakPolarHBondContact O-CB 3.38Å; F172-A240 PolarHBondContact O-N 2.77Å; S209-A240 PolarHBondContact OG-O 3.29Å
241D92.9Very high77.1Confident4 Ų484 Ų842%0.02138%0.375CS..  trans-67.8146.4176.363.9-77.9000111.8G179 L180 L181 V207 Q208G179-D241 CarbonylContact C-O 3.59Å; G179-D241 WeakPolarHBondContact CA-O 3.29Å; G179-D241 VanDerWaalsContact CA-OD1 3.32Å; G179-D241 WeakPolarHBondContact CA-OD1 3.27Å; L180-D241 PolarHBondContact N-O 3.32Å; L180-D241 PolarHBondContact N-OD2 2.77Å; L180-D241 VanDerWaalsContact N-OD2 3.09Å; L181-D241 WeakPolarHBondContact CB-OD2 3.47Å; L181-D241 PolarHBondContact N-OD2 3.29Å; V207-D241 HydrophobicContact CG1-CB 3.45Å; V207-D241 VanDerWaalsContact CG1-CB 3.45Å; Q208-D241 WeakPolarHBondContact O-CA 3.41Å
242N91.7Very high80Confident4 Ų477.3 Ų77.32%0.02136%0.356CS..  trans-132.1-1.4176.764.21.3000113.1L180 Q208 L210 A262L180-N242 VanDerWaalsContact CD2-O 3.3Å; L180-N242 WeakPolarHBondContact CD2-O 3.35Å; Q208-N242 PolarHBondContact O-N 2.82Å; Q208-N242 PolarHBondContact O-OD1 3.12Å; L210-N242 PolarHBondContact N-OD1 2.97Å; L210-N242 PolarHBondContact O-ND2 3.35Å; N242-A262 HydrophobicContact CB-CB 4.21Å; N242-A262 PolarHBondContact O-N 3.31Å
243V94.9Very high83Confident16 Ų1671.3 Ų71.310%0.09734%0.344CS..EExtended strand (participates in β ladder)trans-137.1131.8169.81780000108.3Q208 L210 L260 L263Q208-V243 PolarHBondContact N-O 3.47Å; Q208-V243 PolarHBondContact O-N 2.8Å; Q208-V243 VanDerWaalsContact O-N 3.1Å; L210-V243 HydrophobicContact CD1-CB 4.2Å; L210-V243 HydrophobicContact CD1-CG2 3.75Å; L210-V243 HydrophobicContact CG-CB 4.49Å; L210-V243 HydrophobicContact CG-CG2 4.23Å; V243-L260 WeakPolarHBondContact CA-O 3.22Å; V243-L263 HydrophobicContact CG2-CD1 3.88Å; V243-L263 HydrophobicContact CG2-CD2 3.78Å; V243-L263 HydrophobicContact CG2-CG 3.68Å
244C97.1Very high85.8Confident0 Ų064.4 Ų64.40%031%0.312CS..EExtended strand (participates in β ladder)trans-142.1138.6175.1-1770000109.9V206 F246 L260V206-C244 CarbonylContact O-C 3.54Å; V206-C244 VanDerWaalsContact O-CA 3.28Å; V206-C244 WeakPolarHBondContact O-CA 3.42Å; C244-F246 VanDerWaalsContact SG-CD1 3.58Å; C244-L260 HydrophobicContact CB-CB 4.25Å; C244-L260 HydrophobicContact CB-CD1 4.29Å; C244-L260 PolarHBondContact N-O 2.84Å; C244-L260 PolarHBondContact O-N 3.33Å
245S98.1Very high88.5Confident43 Ų4361 Ų6130%0.30130%0.296SS..EExtended strand (participates in β ladder)trans-137.4125.7172.4-630000108.8G205 V206 V258 N259G205-S245 CarbonylContact C-O 3.55Å; G205-S245 WeakPolarHBondContact CA-O 3.23Å; V206-S245 PolarHBondContact N-O 2.92Å; V206-S245 PolarHBondContact O-N 3.19Å; S245-V258 CarbonylContact C-O 3.47Å; S245-V258 VanDerWaalsContact CA-O 3.26Å; S245-V258 WeakPolarHBondContact CA-O 3.11Å; S245-N259 PolarHBondContact OG-ND2 2.79Å
246F98.6Very high90.7Very high6 Ų651.1 Ų51.13%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-147.8156.8-175.962.9-89.5000112.3L181 I189 Q204 C244 M248 V258 L260 I389L181-F246 HydrophobicContact CD1-CE1 4.15Å; I189-F246 HydrophobicContact CD1-CZ 4.27Å; I189-F246 HydrophobicContact CG1-CE2 3.97Å; I189-F246 HydrophobicContact CG1-CZ 3.79Å; Q204-F246 CarbonylContact O-C 3.54Å; Q204-F246 WeakPolarHBondContact O-CA 3.36Å; Q204-F246 VanDerWaalsContact O-CB 3.24Å; Q204-F246 WeakPolarHBondContact O-CB 3.22Å; C244-F246 VanDerWaalsContact SG-CD1 3.58Å; F246-M248 HydrophobicContact CD2-CG 3.93Å; F246-M248 HydrophobicContact CD2-SD 4.5Å; F246-M248 HydrophobicContact CE2-CG 3.86Å; F246-M248 HydrophobicContact CE2-SD 3.82Å; F246-V258 HydrophobicContact CD1-CB 3.98Å; F246-V258 HydrophobicContact CD1-CG1 4.26Å; F246-V258 HydrophobicContact CD2-CB 4Å; F246-V258 HydrophobicContact CD2-CG2 4.06Å; F246-V258 HydrophobicContact CE1-CB 3.62Å; F246-V258 HydrophobicContact CE1-CG1 3.5Å; F246-V258 HydrophobicContact CE1-CG2 4.32Å; F246-V258 HydrophobicContact CE2-CB 3.63Å; F246-V258 HydrophobicContact CE2-CG1 4.17Å; F246-V258 HydrophobicContact CE2-CG2 3.45Å; F246-V258 VanDerWaalsContact CE2-CG2 3.45Å; F246-V258 HydrophobicContact CG-CB 4.18Å; F246-V258 HydrophobicContact CZ-CB 3.44Å; F246-V258 VanDerWaalsContact CZ-CB 3.44Å; F246-V258 HydrophobicContact CZ-CG1 3.46Å; F246-V258 VanDerWaalsContact CZ-CG1 3.46Å; F246-V258 HydrophobicContact CZ-CG2 3.62Å; F246-V258 PolarHBondContact N-O 3.27Å; F246-V258 PolarHBondContact O-N 3.48Å; F246-L260 HydrophobicContact CE1-CD1 3.98Å; F246-L260 HydrophobicContact CE1-CG 4.31Å; F246-I389 HydrophobicContact CB-CD1 4.25Å; F246-I389 HydrophobicContact CB-CG1 4.26Å; F246-I389 HydrophobicContact CB-CG2 4.11Å; F246-I389 HydrophobicContact CD1-CD1 4.05Å; F246-I389 HydrophobicContact CD2-CD1 3.56Å; F246-I389 HydrophobicContact CD2-CG1 4.29Å; F246-I389 HydrophobicContact CE1-CD1 4.23Å; F246-I389 HydrophobicContact CE2-CD1 3.76Å; F246-I389 HydrophobicContact CG-CD1 3.7Å; F246-I389 HydrophobicContact CG-CG1 4.25Å; F246-I389 HydrophobicContact CG-CG2 4.43Å; F246-I389 HydrophobicContact CZ-CD1 4.09Å
247L98.3Very high92.6Very high48 Ų4847 Ų4725%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-114.2138.6171.7-69158.6000109V203 Q204 A256V203-L247 VanDerWaalsContact CA-O 3.23Å; V203-L247 WeakPolarHBondContact CA-O 3.43Å; Q204-L247 HydrophobicContact CG-CB 3.69Å; Q204-L247 HydrophobicContact CG-CD1 3.94Å; Q204-L247 HydrophobicContact CG-CG 4.32Å; Q204-L247 PolarHBondContact N-O 2.85Å; Q204-L247 VanDerWaalsContact N-O 3.12Å; Q204-L247 PolarHBondContact O-N 2.73Å; L247-A256 CarbonylContact C-O 3.58Å; L247-A256 VanDerWaalsContact CA-O 3.27Å; L247-A256 WeakPolarHBondContact CA-O 3.35Å
248M98.4Very high94.3Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-111.4123.1171.5-63.6173.764.500108.5I189 I192 A200 V203 F246 F250 H255 A256 V385I189-M248 HydrophobicContact CG1-SD 4.29Å; I189-M248 HydrophobicContact CG2-CE 3.98Å; I189-M248 HydrophobicContact CG2-SD 4.41Å; I192-M248 HydrophobicContact CD1-SD 4.13Å; I192-M248 HydrophobicContact CG2-CE 4.49Å; I192-M248 HydrophobicContact CG2-SD 4.36Å; A200-M248 HydrophobicContact CB-CB 3.87Å; A200-M248 HydrophobicContact CB-CE 3.75Å; V203-M248 HydrophobicContact CG1-CG 4.1Å; F246-M248 HydrophobicContact CD2-CG 3.93Å; F246-M248 HydrophobicContact CD2-SD 4.5Å; F246-M248 HydrophobicContact CE2-CG 3.86Å; F246-M248 HydrophobicContact CE2-SD 3.82Å; M248-F250 HydrophobicContact CB-CE2 4.33Å; M248-F250 HydrophobicContact CE-CZ 4.48Å; M248-H255 CarbonylContact O-C 3.42Å; M248-H255 WeakPolarHBondContact O-CA 3.45Å; M248-H255 WeakPolarHBondContact O-CB 3.38Å; M248-A256 HydrophobicContact CB-CB 4.38Å; M248-A256 PolarHBondContact N-O 3.12Å; M248-A256 PolarHBondContact O-N 2.93Å; M248-V385 HydrophobicContact CE-CG1 4.41Å
249R97.9Very high95.3Very high95 Ų9535.5 Ų35.536%0.35820%0.202SC..EExtended strand (participates in β ladder)trans-104.3132.7177.5-62.6-166.5-72.2121-7.2110.4A200 V201 C202 H255 D398A200-R249 CarbonylContact C-O 3.47Å; A200-R249 WeakPolarHBondContact CA-O 3.21Å; A200-R249 WeakPolarHBondContact CB-O 3.3Å; V201-R249 WeakPolarHBondContact CG2-O 3.49Å; V201-R249 PolarHBondContact N-O 3.34Å; C202-R249 HydrophobicContact CB-CB 4.45Å; C202-R249 PolarHBondContact N-O 3.12Å; C202-R249 PolarHBondContact O-N 2.9Å; C202-R249 PolarHBondContact SG-NH2 3.09Å; R249-H255 HydrophobicContact CG-CB 4.46Å; R249-D398 IonicContact CZ-OD2 3.56Å; R249-D398 VanDerWaalsContact CZ-OD2 3.31Å; R249-D398 IonicContact NE-OD2 3.32Å; R249-D398 PolarHBondContact NE-OD2 2.85Å; R249-D398 IonicContact NH2-OD2 2.92Å; R249-D398 PolarHBondContact NH2-OD2 2.7Å
250F97.3Very high95.8Very high7 Ų732.3 Ų32.33%0.03118%0.184CC..  trans-98.7167.4175.9-64.4-98.9000110.6I192 V196 K198 A200 M248 D252 G253 M254 A256I192-F250 HydrophobicContact CG2-CE2 4.32Å; I192-F250 HydrophobicContact CG2-CZ 3.96Å; V196-F250 HydrophobicContact CB-CE1 4.17Å; V196-F250 HydrophobicContact CB-CZ 4.26Å; V196-F250 HydrophobicContact CG1-CD1 4.03Å; V196-F250 HydrophobicContact CG1-CE1 3.84Å; V196-F250 HydrophobicContact CG1-CZ 4.22Å; V196-F250 HydrophobicContact CG2-CE1 4.41Å; V196-F250 HydrophobicContact CG2-CE2 4.41Å; V196-F250 HydrophobicContact CG2-CZ 4.01Å; K198-F250 HydrophobicContact CB-CD1 3.78Å; K198-F250 HydrophobicContact CB-CE1 4.04Å; A200-F250 HydrophobicContact CB-CD1 4.36Å; A200-F250 HydrophobicContact CB-CD2 4.5Å; A200-F250 HydrophobicContact CB-CE1 4.16Å; A200-F250 HydrophobicContact CB-CE2 4.29Å; A200-F250 HydrophobicContact CB-CZ 4.11Å; M248-F250 HydrophobicContact CB-CE2 4.33Å; M248-F250 HydrophobicContact CE-CZ 4.48Å; F250-D252 VanDerWaalsContact C-N 3.32Å; F250-D252 WeakPolarHBondContact CB-OD1 3.4Å; F250-D252 PolarHBondContact O-N 2.9Å; F250-G253 PolarHBondContact O-N 2.92Å; F250-M254 HydrophobicContact CB-CB 4.29Å; F250-M254 WeakPolarHBondContact CD2-O 3.38Å; F250-M254 HydrophobicContact CD2-SD 3.25Å; F250-M254 WeakPolarHBondContact CD2-SD 3.34Å; F250-M254 HydrophobicContact CE2-CE 4.5Å; F250-M254 HydrophobicContact CE2-SD 3.48Å; F250-M254 WeakPolarHBondContact CE2-SD 3.35Å; F250-M254 HydrophobicContact CG-SD 4.04Å; F250-M254 HydrophobicContact CZ-SD 4.41Å; F250-M254 PolarHBondContact N-O 2.78Å; F250-A256 HydrophobicContact CE2-CB 4.47Å
251D93.9Very high96Very high120 Ų12034.1 Ų34.164%0.64219%0.194SC*.THydrogen-bonded Turntrans-67.3-29.5-174.260-18.2000113.9K198 V201 G253K198-D251 IonicContact NZ-OD1 3.19Å; V201-D251 HydrophobicContact CG1-CB 4.17Å; D251-G253 VanDerWaalsContact C-N 3.33Å
252D92Very high95.8Very high86 Ų8634 Ų3446%0.4619%0.193SC..THydrogen-bonded Turntrans-84.70.1178.161.20.5000114.4K198 F250 M254K198-D252 IonicContact NZ-OD2 3.85Å; K198-D252 PolarHBondContact NZ-OD2 2.64Å; F250-D252 VanDerWaalsContact C-N 3.32Å; F250-D252 WeakPolarHBondContact CB-OD1 3.4Å; F250-D252 PolarHBondContact O-N 2.9Å; D252-M254 WeakPolarHBondContact OD1-CB 3.45Å; D252-M254 PolarHBondContact OD1-N 3.37Å
253G91Very high95.5Very high60 Ų6037.1 Ų37.162%0.61921%0.209SC*.SBendtrans89.2-4.3-177.400000114.8F250 D251F250-G253 PolarHBondContact O-N 2.92Å; D251-G253 VanDerWaalsContact C-N 3.33Å
254M94.9Very high94.5Very high9 Ų938.6 Ų38.64%0.04423%0.228CC..  trans-59.9145.3166.6-176.3-81.616400109.3L152 I154 V196 F250 D252 A256L152-M254 WeakPolarHBondContact O-CG 3.08Å; I154-M254 HydrophobicContact CB-CE 3.89Å; I154-M254 HydrophobicContact CD1-CE 4.02Å; I154-M254 HydrophobicContact CG1-CE 3.64Å; V196-M254 HydrophobicContact CG1-SD 4.47Å; V196-M254 HydrophobicContact CG2-CE 4Å; V196-M254 HydrophobicContact CG2-SD 4.1Å; F250-M254 HydrophobicContact CB-CB 4.29Å; F250-M254 WeakPolarHBondContact CD2-O 3.38Å; F250-M254 HydrophobicContact CD2-SD 3.25Å; F250-M254 WeakPolarHBondContact CD2-SD 3.34Å; F250-M254 HydrophobicContact CE2-CE 4.5Å; F250-M254 HydrophobicContact CE2-SD 3.48Å; F250-M254 WeakPolarHBondContact CE2-SD 3.35Å; F250-M254 HydrophobicContact CG-SD 4.04Å; F250-M254 HydrophobicContact CZ-SD 4.41Å; F250-M254 PolarHBondContact N-O 2.78Å; D252-M254 WeakPolarHBondContact OD1-CB 3.45Å; D252-M254 PolarHBondContact OD1-N 3.37Å; M254-A256 HydrophobicContact CE-CB 4.39Å
255H96.6Very high93.3Very high71 Ų7139.8 Ų39.833%0.32924%0.238SC..EExtended strand (participates in β ladder)trans-139.1153.5172.767.4-80.9000112.5V153 I154 M248 R249V153-H255 WeakPolarHBondContact CA-O 3.5Å; I154-H255 PolarHBondContact N-O 3.43Å; M248-H255 CarbonylContact O-C 3.42Å; M248-H255 WeakPolarHBondContact O-CA 3.45Å; M248-H255 WeakPolarHBondContact O-CB 3.38Å; R249-H255 HydrophobicContact CG-CB 4.46Å
256A98.5Very high91.8Very high0 Ų043.5 Ų43.50%026%0.261CS..EExtended strand (participates in β ladder)trans-116.2133.4171.100000110.6I154 I192 L247 M248 F250 M254I154-A256 HydrophobicContact CB-CB 4.01Å; I154-A256 HydrophobicContact CG2-CB 4.44Å; I154-A256 CarbonylContact O-C 3.54Å; I154-A256 WeakPolarHBondContact O-CA 3.4Å; I192-A256 HydrophobicContact CD1-CB 3.96Å; I192-A256 HydrophobicContact CG1-CB 4.46Å; I192-A256 HydrophobicContact CG2-CB 3.64Å; L247-A256 CarbonylContact C-O 3.58Å; L247-A256 VanDerWaalsContact CA-O 3.27Å; L247-A256 WeakPolarHBondContact CA-O 3.35Å; M248-A256 HydrophobicContact CB-CB 4.38Å; M248-A256 PolarHBondContact N-O 3.12Å; M248-A256 PolarHBondContact O-N 2.93Å; F250-A256 HydrophobicContact CE2-CB 4.47Å; M254-A256 HydrophobicContact CE-CB 4.39Å
257S98.4Very high90.5Very high46 Ų4645.9 Ų45.932%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-103.4130.5173.4-174.50000109.8I154 D155 A156I154-S257 PolarHBondContact O-N 2.82Å; D155-S257 CarbonylContact C-O 3.56Å; D155-S257 WeakPolarHBondContact CA-O 3.22Å; D155-S257 WeakPolarHBondContact OD1-CB 3.48Å; A156-S257 PolarHBondContact N-O 2.98Å
258V98.6Very high89.7Confident1 Ų143.8 Ų43.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-129.2128.9-176-172.40000110.6A156 V188 I192 S245 F246 L260A156-V258 HydrophobicContact CB-CG1 4.29Å; A156-V258 HydrophobicContact CB-CG2 4.21Å; A156-V258 CarbonylContact O-C 3.46Å; A156-V258 WeakPolarHBondContact O-CA 3.4Å; V188-V258 HydrophobicContact CG1-CG1 3.69Å; V188-V258 HydrophobicContact CG1-CG2 4.24Å; I192-V258 HydrophobicContact CD1-CG2 3.4Å; S245-V258 CarbonylContact C-O 3.47Å; S245-V258 VanDerWaalsContact CA-O 3.26Å; S245-V258 WeakPolarHBondContact CA-O 3.11Å; F246-V258 HydrophobicContact CD1-CB 3.98Å; F246-V258 HydrophobicContact CD1-CG1 4.26Å; F246-V258 HydrophobicContact CD2-CB 4Å; F246-V258 HydrophobicContact CD2-CG2 4.06Å; F246-V258 HydrophobicContact CE1-CB 3.62Å; F246-V258 HydrophobicContact CE1-CG1 3.5Å; F246-V258 HydrophobicContact CE1-CG2 4.32Å; F246-V258 HydrophobicContact CE2-CB 3.63Å; F246-V258 HydrophobicContact CE2-CG1 4.17Å; F246-V258 HydrophobicContact CE2-CG2 3.45Å; F246-V258 VanDerWaalsContact CE2-CG2 3.45Å; F246-V258 HydrophobicContact CG-CB 4.18Å; F246-V258 HydrophobicContact CZ-CB 3.44Å; F246-V258 VanDerWaalsContact CZ-CB 3.44Å; F246-V258 HydrophobicContact CZ-CG1 3.46Å; F246-V258 VanDerWaalsContact CZ-CG1 3.46Å; F246-V258 HydrophobicContact CZ-CG2 3.62Å; F246-V258 PolarHBondContact N-O 3.27Å; F246-V258 PolarHBondContact O-N 3.48Å; V258-L260 HydrophobicContact CG1-CD2 3.64Å; V258-L260 HydrophobicContact CG1-CG 3.97Å
259N97.9Very high89.2Confident60 Ų6046.5 Ų46.532%0.32128%0.275SS..EExtended strand (participates in β ladder)trans-122.7117.9172.2-166.6-75.8000110.3A156 I157 V158 S245A156-N259 PolarHBondContact O-N 3.25Å; I157-N259 WeakPolarHBondContact CA-O 3.26Å; I157-N259 HydrophobicContact CG1-CB 4.47Å; V158-N259 PolarHBondContact N-O 3.4Å; S245-N259 PolarHBondContact OG-ND2 2.79Å
260L95.9Very high88.9Confident0 Ų042 Ų420%026%0.258CS..EExtended strand (participates in β ladder)trans-114.2128.7178.2-47.9179.3000109.4V158 L180 V184 G185 V188 V243 C244 F246 V258V158-L260 HydrophobicContact CB-CD2 3.74Å; V158-L260 HydrophobicContact CG2-CD2 3.9Å; V158-L260 CarbonylContact O-C 3.52Å; V158-L260 WeakPolarHBondContact O-CA 3.29Å; L180-L260 VanDerWaalsContact CD2-C 3.41Å; L180-L260 HydrophobicContact CD2-CB 3.48Å; L180-L260 VanDerWaalsContact CD2-CB 3.48Å; L180-L260 HydrophobicContact CG-CB 3.82Å; L180-L260 HydrophobicContact CG-CD1 4.41Å; V184-L260 HydrophobicContact CG1-CD2 4.49Å; G185-L260 VanDerWaalsContact CA-CD1 3.41Å; V188-L260 HydrophobicContact CG2-CD2 4.04Å; V243-L260 WeakPolarHBondContact CA-O 3.22Å; C244-L260 HydrophobicContact CB-CB 4.25Å; C244-L260 HydrophobicContact CB-CD1 4.29Å; C244-L260 PolarHBondContact N-O 2.84Å; C244-L260 PolarHBondContact O-N 3.33Å; F246-L260 HydrophobicContact CE1-CD1 3.98Å; F246-L260 HydrophobicContact CE1-CG 4.31Å; V258-L260 HydrophobicContact CG1-CD2 3.64Å; V258-L260 HydrophobicContact CG1-CG 3.97Å
261N92.7Very high88.7Confident41 Ų4144 Ų4422%0.21927%0.267CS..EExtended strand (participates in β ladder)trans-138.8126179.6-170.9-45.7000112.4V158 R159 T160 L263V158-N261 PolarHBondContact O-N 3.25Å; R159-N261 CarbonylContact C-O 3.44Å; R159-N261 VanDerWaalsContact CA-O 3.31Å; R159-N261 WeakPolarHBondContact CA-O 3.39Å; R159-N261 HydrophobicContact CG-CB 4.5Å; T160-N261 PolarHBondContact N-O 2.99Å; N261-L263 WeakPolarHBondContact OD1-CB 3.3Å; N261-L263 VanDerWaalsContact OD1-CG 3.23Å; N261-L263 WeakPolarHBondContact OD1-CG 3.48Å; N261-L263 PolarHBondContact OD1-N 3.45Å
262A89Confident88.9Confident2 Ų238.2 Ų38.22%0.01724%0.237CC..  trans-120.829.7176.200000113.4T160 L163 L180 N242 G264T160-A262 HydrophobicContact CG2-CB 3.63Å; T160-A262 WeakPolarHBondContact O-CA 3.27Å; L163-A262 HydrophobicContact CD1-CB 4.07Å; L163-A262 HydrophobicContact CD2-CB 4.49Å; L163-A262 HydrophobicContact CG-CB 3.8Å; L180-A262 HydrophobicContact CD1-CB 4.1Å; L180-A262 HydrophobicContact CD2-CB 3.92Å; L180-A262 HydrophobicContact CG-CB 4.49Å; N242-A262 HydrophobicContact CB-CB 4.21Å; N242-A262 PolarHBondContact O-N 3.31Å; A262-G264 PolarHBondContact O-N 2.97Å; A262-G264 VanDerWaalsContact O-N 3.11Å
263L85.2Confident89.2Confident68 Ų6835.5 Ų35.536%0.35622%0.222SC..SBendtrans-74.48.7-179.6-62.4178.7000114.2L210 V243 N261L210-L263 HydrophobicContact CB-CD2 3.99Å; L210-L263 HydrophobicContact CD1-CD1 4.4Å; L210-L263 HydrophobicContact CD1-CD2 4.47Å; V243-L263 HydrophobicContact CG2-CD1 3.88Å; V243-L263 HydrophobicContact CG2-CD2 3.78Å; V243-L263 HydrophobicContact CG2-CG 3.68Å; N261-L263 WeakPolarHBondContact OD1-CB 3.3Å; N261-L263 VanDerWaalsContact OD1-CG 3.23Å; N261-L263 WeakPolarHBondContact OD1-CG 3.48Å; N261-L263 PolarHBondContact OD1-N 3.45Å
264G73.4Confident89.6Confident47 Ų4732.7 Ų32.749%0.48519%0.192SC..  trans103.141.4177.900000113.5A262A262-G264 PolarHBondContact O-N 2.97Å; A262-G264 VanDerWaalsContact O-N 3.11Å
265A73.2Confident89.7Confident25 Ų2536.8 Ų36.821%0.20721%0.207CC..  trans-55.3137.2161.900000107.7R159 T160 G161 N267R159-A265 HydrophobicContact CB-CB 3.98Å; T160-A265 PolarHBondContact O-N 3.03Å; G161-A265 WeakPolarHBondContact CA-O 3.48Å; G161-A265 PolarHBondContact N-O 3.26Å; A265-N267 PolarHBondContact O-N 3.2Å
266P67.2Low89.7Confident122 Ų12233.5 Ų33.579%0.79219%0.193SC*.SBendtrans-57.5-27.6179.724-33.3000110.7
267N71.3Confident89.6Confident56 Ų5636.9 Ų36.930%0.29921%0.214SC..SBendtrans-140.3146.2-160.8-77-3.7000112.2A265 F269 A320 N321A265-N267 PolarHBondContact O-N 3.2Å; N267-F269 PolarHBondContact O-N 2.92Å; N267-A320 CarbonylContact C-O 3.57Å; N267-A320 WeakPolarHBondContact CA-O 3.44Å; N267-A320 VanDerWaalsContact CB-C 3.5Å; N267-A320 HydrophobicContact CB-CB 4.24Å; N267-A320 WeakPolarHBondContact CB-O 3.49Å; N267-A320 VanDerWaalsContact OD1-C 3.32Å; N267-A320 PolarHBondContact OD1-O 3.43Å; N267-N321 PolarHBondContact OD1-OD1 2.89Å
268F80.4Confident89.6Confident3 Ų340.7 Ų40.71%0.01323%0.226CC..  trans-68.1134.2169.2-175.4-87.4000109.6M130 V158 R159 L270 Y319 A320 L327M130-F268 HydrophobicContact CE-CZ 4.24Å; V158-F268 HydrophobicContact CG1-CD2 4.32Å; V158-F268 HydrophobicContact CG1-CE2 3.38Å; V158-F268 HydrophobicContact CG1-CZ 3.52Å; R159-F268 CarbonylContact O-C 3.57Å; R159-F268 WeakPolarHBondContact O-CA 2.7Å; F268-L270 HydrophobicContact CE1-CB 3.66Å; F268-L270 HydrophobicContact CZ-CB 4.21Å; F268-Y319 HydrophobicContact CB-CD1 4.33Å; F268-Y319 WeakPolarHBondContact CB-O 3.29Å; F268-Y319 AromaticContact CD1-CD1 3.26Å; F268-Y319 HydrophobicContact CD1-CD1 3.26Å; F268-Y319 HydrophobicContact CD1-CD2 4.37Å; F268-Y319 AromaticContact CD1-CE1 3.96Å; F268-Y319 HydrophobicContact CD1-CE1 3.96Å; F268-Y319 AromaticContact CD1-CG 3.51Å; F268-Y319 HydrophobicContact CD1-CG 3.51Å; F268-Y319 AromaticContact CE1-CD1 3.71Å; F268-Y319 HydrophobicContact CE1-CD1 3.71Å; F268-Y319 AromaticContact CE1-CE1 3.94Å; F268-Y319 HydrophobicContact CE1-CE1 3.94Å; F268-Y319 HydrophobicContact CE1-CG 4.07Å; F268-Y319 AromaticContact CG-CD1 3.97Å; F268-Y319 HydrophobicContact CG-CD1 3.97Å; F268-Y319 HydrophobicContact CG-CG 4.44Å; F268-Y319 PolarHBondContact N-O 2.94Å; F268-A320 PolarHBondContact N-O 2.87Å; F268-L327 HydrophobicContact CD1-CD1 3.67Å; F268-L327 HydrophobicContact CD2-CD1 3.5Å; F268-L327 HydrophobicContact CE1-CD1 3.38Å; F268-L327 HydrophobicContact CE2-CD1 3.26Å; F268-L327 HydrophobicContact CG-CD1 3.71Å; F268-L327 HydrophobicContact CZ-CD1 3.18Å
269F87.8Confident89.5Confident57 Ų5740.7 Ų40.725%0.2523%0.227CC..EExtended strand (participates in β ladder)trans-137123179.1176.1-95.1000108.6I157 V158 R159 N267 E271 N285I157-F269 HydrophobicContact CG2-CD1 4.4Å; I157-F269 HydrophobicContact CG2-CE1 4.25Å; V158-F269 CarbonylContact C-O 3.58Å; V158-F269 VanDerWaalsContact CA-O 3.28Å; V158-F269 WeakPolarHBondContact CA-O 2.86Å; R159-F269 HydrophobicContact CB-CB 4.2Å; R159-F269 HydrophobicContact CG-CD1 4.39Å; R159-F269 PolarHBondContact N-O 2.92Å; R159-F269 PolarHBondContact O-N 3.37Å; N267-F269 PolarHBondContact O-N 2.92Å; F269-E271 HydrophobicContact CE1-CB 3.56Å; F269-E271 HydrophobicContact CZ-CB 3.66Å; F269-N285 WeakPolarHBondContact CA-OD1 3.35Å
270L91Very high89.5Confident1 Ų139 Ų391%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-117.5124169.3168.366.5000108.3I157 V158 F268 N285I157-L270 WeakPolarHBondContact O-CA 3.3Å; V158-L270 HydrophobicContact CG2-CD1 3.73Å; F268-L270 HydrophobicContact CE1-CB 3.66Å; F268-L270 HydrophobicContact CZ-CB 4.21Å; L270-N285 PolarHBondContact N-OD1 3.29Å; L270-N285 PolarHBondContact O-N 3.1Å
271E95.1Very high89.6Confident48 Ų4839 Ų3922%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-122.5131.3165.1-179171.980.700109A156 I157 F269 V283 Q284A156-E271 CarbonylContact C-O 3.58Å; A156-E271 WeakPolarHBondContact CA-O 3.45Å; I157-E271 HydrophobicContact CB-CB 4.44Å; I157-E271 PolarHBondContact N-O 3.11Å; I157-E271 PolarHBondContact O-N 3.03Å; F269-E271 HydrophobicContact CE1-CB 3.56Å; F269-E271 HydrophobicContact CZ-CB 3.66Å; E271-V283 CarbonylContact C-O 3.47Å; E271-V283 VanDerWaalsContact CA-O 3.27Å; E271-V283 WeakPolarHBondContact CA-O 3.43Å; E271-Q284 HydrophobicContact CB-CG 4.49Å; E271-Q284 HydrophobicContact CG-CG 4.03Å; E271-Q284 PolarHBondContact OE2-NE2 2.86Å
272L97.3Very high89.9Confident0 Ų038 Ų380%021%0.211CC..EExtended strand (participates in β ladder)trans-130.6117.7173.9-176.384.3000108.3I154 D155 A156 L195 V283I154-L272 HydrophobicContact CG2-CD1 3.33Å; I154-L272 HydrophobicContact CG2-CG 4.17Å; D155-L272 CarbonylContact O-C 3.55Å; D155-L272 WeakPolarHBondContact O-CA 3.43Å; A156-L272 HydrophobicContact CB-CD1 3.84Å; L195-L272 HydrophobicContact CD1-CD2 3.17Å; L195-L272 HydrophobicContact CD1-CG 4.48Å; L272-V283 HydrophobicContact CB-CB 4.1Å; L272-V283 HydrophobicContact CD2-CG2 4.49Å; L272-V283 PolarHBondContact N-O 3.08Å; L272-V283 PolarHBondContact O-N 3.38Å
273L98.1Very high90.3Very high29 Ų2937.9 Ų37.915%0.15221%0.21CC..EExtended strand (participates in β ladder)trans-111.8111.4178.8178.561.8000109I154 D155 W275 Q280 I282I154-L273 CarbonylContact C-O 3.28Å; I154-L273 WeakPolarHBondContact CA-O 3.28Å; D155-L273 HydrophobicContact CB-CB 4.28Å; D155-L273 PolarHBondContact N-O 3.29Å; D155-L273 PolarHBondContact O-N 3.4Å; L273-W275 VanDerWaalsContact CD2-CE2 3.47Å; L273-W275 HydrophobicContact CD2-CZ2 3.57Å; L273-W275 HydrophobicContact CG-CZ2 4.4Å; L273-Q280 HydrophobicContact CD1-CB 4.11Å; L273-Q280 HydrophobicContact CD1-CG 4.5Å; L273-I282 HydrophobicContact CD1-CB 4.37Å; L273-I282 HydrophobicContact CD1-CD1 4.03Å; L273-I282 HydrophobicContact CD1-CG1 3.62Å; L273-I282 HydrophobicContact CD1-CG2 4.36Å
274C98.4Very high90.6Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-97.3115.6173.8-53.60000108.9L143 I148 L151 I154 Q280 L281L143-C274 HydrophobicContact CD2-CB 4.35Å; I148-C274 HydrophobicContact CD1-CB 4.11Å; L151-C274 HydrophobicContact CD1-CB 3.79Å; I154-C274 HydrophobicContact CG1-CB 4.47Å; C274-Q280 CarbonylContact O-C 3.56Å; C274-Q280 WeakPolarHBondContact O-CA 3.45Å; C274-L281 HydrophobicContact CB-CB 4.16Å; C274-L281 PolarHBondContact N-O 3.06Å; C274-L281 PolarHBondContact O-N 3.42Å
275W97.6Very high91.3Very high95 Ų9536.6 Ų36.636%0.3619%0.191SC..EExtended strand (participates in β ladder)trans-92.5128.5176.2-66.287.6000110.5L152 V153 D155 L273 Q280L152-W275 PolarHBondContact N-O 2.81Å; V153-W275 HydrophobicContact CB-CB 4.23Å; V153-W275 HydrophobicContact CB-CG 4.42Å; V153-W275 PolarHBondContact N-O 3.38Å; V153-W275 PolarHBondContact O-N 3.16Å; D155-W275 PolarHBondContact OD2-NE1 3.17Å; L273-W275 VanDerWaalsContact CD2-CE2 3.47Å; L273-W275 HydrophobicContact CD2-CZ2 3.57Å; L273-W275 HydrophobicContact CG-CZ2 4.4Å; W275-Q280 HydrophobicContact CD2-CG 4.34Å; W275-Q280 HydrophobicContact CE3-CG 3.97Å; W275-Q280 HydrophobicContact CZ3-CG 4.38Å
276G97.3Very high91.8Very high3 Ų335.7 Ų35.73%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-126.4171.8170.700000112.9I148 E150 Q278 G279I148-G276 CarbonylContact O-C 3.21Å; I148-G276 VanDerWaalsContact O-CA 3.27Å; I148-G276 WeakPolarHBondContact O-CA 3.34Å; E150-G276 CarbonylContact O-C 3.58Å; E150-G276 WeakPolarHBondContact O-CA 3.32Å; G276-Q278 PolarHBondContact O-N 3.22Å; G276-G279 CarbonylContact C-O 3.52Å; G276-G279 WeakPolarHBondContact CA-O 3.27Å; G276-G279 PolarHBondContact N-O 3.17Å; G276-G279 VanDerWaalsContact O-O 3.14Å
277T96.5Very high93Very high70 Ų7033.3 Ų33.343%0.42916%0.158SC..SBendtrans-64.2-20.1-177.952.90000114.2I148 G149 E150 L152I148-T277 PolarHBondContact O-N 3.22Å; I148-T277 VanDerWaalsContact O-N 3.15Å; G149-T277 WeakPolarHBondContact CA-OG1 3.4Å; E150-T277 HydrophobicContact CB-CG2 3.96Å; E150-T277 PolarHBondContact N-OG1 3.2Å; E150-T277 PolarHBondContact O-N 3.24Å; L152-T277 HydrophobicContact CD1-CG2 3.9Å; L152-T277 HydrophobicContact CD2-CG2 3.95Å; L152-T277 HydrophobicContact CG-CG2 4.09Å
278Q97Very high94.3Very high126 Ų12630.7 Ų30.759%0.58914%0.144SC*.SBendtrans-123.3-0.8-175.9-57.7-178.65.100113.8I148 G276 F293I148-Q278 PolarHBondContact O-N 3.45Å; G276-Q278 PolarHBondContact O-N 3.22Å; Q278-F293 PolarHBondContact O-N 3.5Å
279G97.6Very high95.1Very high1 Ų132.6 Ų32.61%0.0115%0.152CC..EExtended strand (participates in β ladder)trans173.1-165.7-178.600000114I148 G276 V291I148-G279 PolarHBondContact O-N 3.1Å; G276-G279 CarbonylContact C-O 3.52Å; G276-G279 WeakPolarHBondContact CA-O 3.27Å; G276-G279 PolarHBondContact N-O 3.17Å; G276-G279 VanDerWaalsContact O-O 3.14Å; G279-V291 CarbonylContact C-O 3.38Å; G279-V291 WeakPolarHBondContact CA-O 3.43Å
280Q98.2Very high95.6Very high24 Ų2430.5 Ų30.511%0.11214%0.143CC..EExtended strand (participates in β ladder)trans-138.6147.1178.1-51.5164.8-48.200110.9L273 C274 W275 I282 L290 V291 F293L273-Q280 HydrophobicContact CD1-CB 4.11Å; L273-Q280 HydrophobicContact CD1-CG 4.5Å; C274-Q280 CarbonylContact O-C 3.56Å; C274-Q280 WeakPolarHBondContact O-CA 3.45Å; W275-Q280 HydrophobicContact CD2-CG 4.34Å; W275-Q280 HydrophobicContact CE3-CG 3.97Å; W275-Q280 HydrophobicContact CZ3-CG 4.38Å; Q280-I282 HydrophobicContact CB-CG1 4.49Å; Q280-L290 WeakPolarHBondContact O-CA 3.11Å; Q280-V291 HydrophobicContact CB-CB 4.09Å; Q280-V291 HydrophobicContact CB-CG2 4.48Å; Q280-V291 PolarHBondContact N-O 3.09Å; Q280-V291 PolarHBondContact O-N 2.84Å; Q280-F293 HydrophobicContact CG-CE1 4.01Å; Q280-F293 HydrophobicContact CG-CZ 3.71Å
281L98.6Very high95.9Very high0 Ų030.8 Ų30.80%014%0.144CC..EExtended strand (participates in β ladder)trans-106.7131.6161.5-63.8170.9000108.2T139 L142 L143 I148 C274 L288 Y289 L290T139-L281 HydrophobicContact CG2-CB 4.32Å; T139-L281 HydrophobicContact CG2-CD1 3.89Å; L142-L281 HydrophobicContact CB-CD1 3.76Å; L142-L281 HydrophobicContact CB-CD2 4.32Å; L142-L281 HydrophobicContact CD1-CD1 4.42Å; L142-L281 HydrophobicContact CD1-CD2 3.73Å; L143-L281 HydrophobicContact CD2-CD1 3.83Å; L143-L281 HydrophobicContact CG-CD1 3.91Å; I148-L281 HydrophobicContact CD1-CD1 4.44Å; I148-L281 HydrophobicContact CD1-CG 4.28Å; I148-L281 HydrophobicContact CG2-CD2 4.23Å; I148-L281 HydrophobicContact CG2-CG 3.83Å; C274-L281 HydrophobicContact CB-CB 4.16Å; C274-L281 PolarHBondContact N-O 3.06Å; C274-L281 PolarHBondContact O-N 3.42Å; L281-L288 HydrophobicContact CB-CD1 4.37Å; L281-L288 HydrophobicContact CD2-CD1 4.39Å; L281-Y289 WeakPolarHBondContact CA-O 3.41Å; L281-L290 HydrophobicContact CD2-CB 4.12Å; L281-L290 HydrophobicContact CD2-CD1 3.74Å
282I98.2Very high96Very high20 Ų2033.7 Ų33.710%0.10316%0.157CC..EExtended strand (participates in β ladder)trans-122.2109.6179.5-38.8-172.3000107.9L273 Q280 Q284 L288 Y289 V291L273-I282 HydrophobicContact CD1-CB 4.37Å; L273-I282 HydrophobicContact CD1-CD1 4.03Å; L273-I282 HydrophobicContact CD1-CG1 3.62Å; L273-I282 HydrophobicContact CD1-CG2 4.36Å; Q280-I282 HydrophobicContact CB-CG1 4.49Å; I282-Q284 HydrophobicContact CG2-CG 3.99Å; I282-L288 WeakPolarHBondContact O-CA 3.28Å; I282-Y289 HydrophobicContact CB-CD2 4.34Å; I282-Y289 PolarHBondContact N-O 3.41Å; I282-Y289 PolarHBondContact O-N 3.3Å; I282-V291 HydrophobicContact CD1-CG2 3.82Å; I282-V291 HydrophobicContact CG1-CG2 4.28Å
283V96.5Very high95.9Very high0 Ų038.2 Ų38.20%018%0.176CC..EExtended strand (participates in β ladder)trans-93120.5166.6-177.50000107.5V135 I136 T139 E271 L272 Y287 L288V135-V283 HydrophobicContact CB-CG1 4.16Å; V135-V283 HydrophobicContact CG2-CG1 3.86Å; I136-V283 HydrophobicContact CD1-CG1 4.2Å; I136-V283 HydrophobicContact CD1-CG2 4.24Å; T139-V283 HydrophobicContact CG2-CG2 4.37Å; T139-V283 WeakPolarHBondContact OG1-CG2 3.22Å; E271-V283 CarbonylContact C-O 3.47Å; E271-V283 VanDerWaalsContact CA-O 3.27Å; E271-V283 WeakPolarHBondContact CA-O 3.43Å; L272-V283 HydrophobicContact CB-CB 4.1Å; L272-V283 HydrophobicContact CD2-CG2 4.49Å; L272-V283 PolarHBondContact N-O 3.08Å; L272-V283 PolarHBondContact O-N 3.38Å; V283-Y287 CarbonylContact C-O 3.59Å; V283-Y287 WeakPolarHBondContact CA-O 3.4Å; V283-L288 HydrophobicContact CG2-CD1 3.91Å
284Q93Very high95.7Very high56 Ų5639.4 Ų39.426%0.26219%0.185SC..EExtended strand (participates in β ladder)trans-124.3101.5171.4-77.5174.5-27.900107.3E271 I282 F286 Y287E271-Q284 HydrophobicContact CB-CG 4.49Å; E271-Q284 HydrophobicContact CG-CG 4.03Å; E271-Q284 PolarHBondContact OE2-NE2 2.86Å; I282-Q284 HydrophobicContact CG2-CG 3.99Å; Q284-F286 PolarHBondContact O-N 2.86Å; Q284-Y287 PolarHBondContact N-O 3.46Å; Q284-Y287 WeakPolarHBondContact O-CD2 3.32Å; Q284-Y287 PolarHBondContact O-N 3Å
285N87Confident95.4Very high32 Ų3245.2 Ų45.217%0.17123%0.226CC..THydrogen-bonded Turntrans51.3-106.4-170.8-64.1-37.1000111.7F269 L270 Y319F269-N285 WeakPolarHBondContact CA-OD1 3.35Å; L270-N285 PolarHBondContact N-OD1 3.29Å; L270-N285 PolarHBondContact O-N 3.1Å; N285-Y319 HydrophobicContact CB-CD2 4.11Å
286F84.4Confident95.2Very high7 Ų748.1 Ų48.13%0.03125%0.248CC..THydrogen-bonded Turntrans-99.55.3-177.7-61.5-59.4000114V135 Q284 N305 E306 E307 Y319 L330V135-F286 VanDerWaalsContact CG1-C 3.5Å; V135-F286 VanDerWaalsContact CG1-O 3.22Å; V135-F286 WeakPolarHBondContact CG1-O 3.4Å; Q284-F286 PolarHBondContact O-N 2.86Å; F286-N305 WeakPolarHBondContact O-CA 3.41Å; F286-E306 HydrophobicContact CB-CB 4.05Å; F286-E306 HydrophobicContact CD1-CB 4.14Å; F286-E306 HydrophobicContact CD1-CG 4.18Å; F286-E306 HydrophobicContact CG-CB 4.48Å; F286-E306 PolarHBondContact O-N 2.8Å; F286-E307 HydrophobicContact CB-CB 4.33Å; F286-E307 HydrophobicContact CD2-CB 4.31Å; F286-Y319 HydrophobicContact CD1-CD2 4.27Å; F286-Y319 HydrophobicContact CD1-CE2 4.05Å; F286-Y319 HydrophobicContact CD2-CD2 4.23Å; F286-Y319 AromaticContact CE1-CD2 3.67Å; F286-Y319 HydrophobicContact CE1-CD2 3.67Å; F286-Y319 AromaticContact CE1-CE2 3.34Å; F286-Y319 HydrophobicContact CE1-CE2 3.34Å; F286-Y319 AromaticContact CE2-CD2 3.64Å; F286-Y319 HydrophobicContact CE2-CD2 3.64Å; F286-Y319 HydrophobicContact CE2-CE2 4.22Å; F286-Y319 HydrophobicContact CE2-CG 4.24Å; F286-Y319 VanDerWaalsContact CE2-N 3.3Å; F286-Y319 AromaticContact CZ-CD2 3.31Å; F286-Y319 HydrophobicContact CZ-CD2 3.31Å; F286-Y319 AromaticContact CZ-CE2 3.44Å; F286-Y319 HydrophobicContact CZ-CE2 3.44Å; F286-Y319 VanDerWaalsContact CZ-CE2 3.44Å; F286-Y319 AromaticContact CZ-CG 3.99Å; F286-Y319 HydrophobicContact CZ-CG 3.99Å; F286-L330 HydrophobicContact CZ-CD2 4.43Å
287Y92.9Very high95Very high72 Ų7249.3 Ų49.328%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-104129.3179.1-59.1-91.8000109.7V283 Q284 Y289 L302 L304 N305V283-Y287 CarbonylContact C-O 3.59Å; V283-Y287 WeakPolarHBondContact CA-O 3.4Å; Q284-Y287 PolarHBondContact N-O 3.46Å; Q284-Y287 WeakPolarHBondContact O-CD2 3.32Å; Q284-Y287 PolarHBondContact O-N 3Å; Y287-Y289 VanDerWaalsContact CB-CE2 3.46Å; Y287-Y289 HydrophobicContact CG-CE2 4.4Å; Y287-L302 HydrophobicContact CD1-CD1 3.97Å; Y287-L304 WeakPolarHBondContact CA-O 3.49Å; Y287-N305 HydrophobicContact CD1-CB 4.25Å; Y287-N305 HydrophobicContact CE1-CB 4.22Å; Y287-N305 WeakPolarHBondContact CE1-ND2 3.34Å
288L96.8Very high94.8Very high0 Ų050.5 Ų50.50%027%0.269CS..EExtended strand (participates in β ladder)trans-112.2122.6169.5173.559.4000109.5V135 K138 T139 L142 L281 I282 V283 L303 L304V135-L288 HydrophobicContact CB-CB 4.43Å; V135-L288 HydrophobicContact CG1-CB 4.26Å; K138-L288 HydrophobicContact CB-CD2 3.69Å; K138-L288 HydrophobicContact CG-CD2 3.46Å; K138-L288 VanDerWaalsContact CG-CD2 3.46Å; T139-L288 WeakPolarHBondContact OG1-CD1 3.3Å; L142-L288 HydrophobicContact CD1-CD2 4.03Å; L281-L288 HydrophobicContact CB-CD1 4.37Å; L281-L288 HydrophobicContact CD2-CD1 4.39Å; I282-L288 WeakPolarHBondContact O-CA 3.28Å; V283-L288 HydrophobicContact CG2-CD1 3.91Å; L288-L303 HydrophobicContact CD2-CB 4.45Å; L288-L303 HydrophobicContact CG-CB 4.27Å; L288-L303 PolarHBondContact O-N 3.34Å; L288-L304 HydrophobicContact CB-CB 4.12Å; L288-L304 PolarHBondContact N-O 3.42Å; L288-L304 PolarHBondContact O-N 3.41Å
289Y98Very high94.8Very high44 Ų4449.4 Ų49.417%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-112.1144.9174-53.9-89.9000111L281 I282 Y287 K300 Q301 L302L281-Y289 WeakPolarHBondContact CA-O 3.41Å; I282-Y289 HydrophobicContact CB-CD2 4.34Å; I282-Y289 PolarHBondContact N-O 3.41Å; I282-Y289 PolarHBondContact O-N 3.3Å; Y287-Y289 VanDerWaalsContact CB-CE2 3.46Å; Y287-Y289 HydrophobicContact CG-CE2 4.4Å; Y289-K300 HydrophobicContact CD1-CD 4.29Å; Y289-K300 HydrophobicContact CD1-CG 4.17Å; Y289-K300 HydrophobicContact CG-CD 4.5Å; Y289-K300 HydrophobicContact CG-CG 4.47Å; Y289-Q301 CarbonylContact C-O 3.53Å; Y289-Q301 VanDerWaalsContact CA-O 3.23Å; Y289-Q301 WeakPolarHBondContact CA-O 3.43Å; Y289-L302 HydrophobicContact CD1-CB 4.02Å; Y289-L302 HydrophobicContact CD1-CD1 3.85Å; Y289-L302 HydrophobicContact CE1-CB 3.99Å; Y289-L302 HydrophobicContact CE1-CD1 3.5Å; Y289-L302 VanDerWaalsContact CE1-CD1 3.5Å; Y289-L302 HydrophobicContact CE1-CG 4.3Å; Y289-L302 HydrophobicContact CE2-CD1 4.48Å; Y289-L302 HydrophobicContact CG-CD1 4.48Å
290L98Very high94.7Very high12 Ų1254.7 Ų54.76%0.06329%0.289CS..EExtended strand (participates in β ladder)trans-110.8125.5165.2170.764.8000108.6I148 Q280 L281 K292 Q301 L303I148-L290 HydrophobicContact CG2-CD1 3.54Å; Q280-L290 WeakPolarHBondContact O-CA 3.11Å; L281-L290 HydrophobicContact CD2-CB 4.12Å; L281-L290 HydrophobicContact CD2-CD1 3.74Å; L290-K292 HydrophobicContact CD1-CG 4.38Å; L290-K292 HydrophobicContact CD2-CD 4.46Å; L290-K292 HydrophobicContact CD2-CG 4.16Å; L290-K292 HydrophobicContact CG-CG 4.06Å; L290-Q301 PolarHBondContact N-O 2.93Å; L290-Q301 PolarHBondContact O-N 3.13Å; L290-L303 HydrophobicContact CB-CD1 3.52Å; L290-L303 HydrophobicContact CB-CD2 4.21Å; L290-L303 HydrophobicContact CB-CG 3.81Å; L290-L303 HydrophobicContact CD2-CD1 4.23Å; L290-L303 HydrophobicContact CG-CD1 4.5Å
291V97.9Very high94.7Very high7 Ų758.6 Ų58.64%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-105.8115.8170.4-175.60000107.6G279 Q280 I282 F293 P298 I299 K300G279-V291 CarbonylContact C-O 3.38Å; G279-V291 WeakPolarHBondContact CA-O 3.43Å; Q280-V291 HydrophobicContact CB-CB 4.09Å; Q280-V291 HydrophobicContact CB-CG2 4.48Å; Q280-V291 PolarHBondContact N-O 3.09Å; Q280-V291 PolarHBondContact O-N 2.84Å; I282-V291 HydrophobicContact CD1-CG2 3.82Å; I282-V291 HydrophobicContact CG1-CG2 4.28Å; V291-F293 HydrophobicContact CG1-CD1 4.46Å; V291-F293 HydrophobicContact CG1-CE1 4.27Å; V291-P298 HydrophobicContact CG1-CB 3.55Å; V291-I299 WeakPolarHBondContact CA-O 3.44Å; V291-K300 HydrophobicContact CG2-CB 4.03Å; V291-K300 HydrophobicContact CG2-CD 4.43Å; V291-K300 HydrophobicContact CG2-CG 3.97Å
292K96.7Very high94.6Very high110 Ų11062.6 Ų62.648%0.47833%0.328SS..EExtended strand (participates in β ladder)trans-96133.9173.5-68.1-172.4178.2-177.80110.1L290 T294 P298 I299L290-K292 HydrophobicContact CD1-CG 4.38Å; L290-K292 HydrophobicContact CD2-CD 4.46Å; L290-K292 HydrophobicContact CD2-CG 4.16Å; L290-K292 HydrophobicContact CG-CG 4.06Å; K292-T294 HydrophobicContact CB-CG2 4.47Å; K292-P298 WeakPolarHBondContact O-CA 2.68Å; K292-I299 PolarHBondContact N-O 3.29Å; K292-I299 PolarHBondContact O-N 3.03Å
293F95.7Very high94.4Very high94 Ų9464.3 Ų64.341%0.41234%0.337SS..EExtended strand (participates in β ladder)trans-80.6120.4172.3-58.8-24.7000109.3Q278 Q280 V291 P298Q278-F293 PolarHBondContact O-N 3.5Å; Q280-F293 HydrophobicContact CG-CE1 4.01Å; Q280-F293 HydrophobicContact CG-CZ 3.71Å; V291-F293 HydrophobicContact CG1-CD1 4.46Å; V291-F293 HydrophobicContact CG1-CE1 4.27Å; F293-P298 HydrophobicContact CD1-CB 4.24Å
294T93.5Very high94.2Very high55 Ų5566 Ų6634%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-125.5164.9178.880.10000110.3K292 N296 G297 I299K292-T294 HydrophobicContact CB-CG2 4.47Å; T294-N296 PolarHBondContact O-N 3.46Å; T294-N296 VanDerWaalsContact O-N 3.13Å; T294-N296 PolarHBondContact OG1-N 2.87Å; T294-G297 PolarHBondContact N-O 2.78Å; T294-G297 PolarHBondContact O-N 3.29Å; T294-G297 PolarHBondContact OG1-O 2.85Å; T294-I299 HydrophobicContact CG2-CD1 3.8Å; T294-I299 HydrophobicContact CG2-CG1 4.11Å
295S92.8Very high94Very high122 Ų12265 Ų6585%0.85334%0.343SS*.THydrogen-bonded Turntrans-59.2-23.6176.458.80000113.6
296N92.6Very high93.6Very high155 Ų15564.5 Ų64.583%0.82934%0.339SS*.THydrogen-bonded Turntrans-95.87.7-179.5-61.7-18000112.7T294T294-N296 PolarHBondContact O-N 3.46Å; T294-N296 VanDerWaalsContact O-N 3.13Å; T294-N296 PolarHBondContact OG1-N 2.87Å
297G92.2Very high92.9Very high28 Ų2867.2 Ų67.229%0.28935%0.352SS..EExtended strand (participates in β ladder)trans109174.6-175.700000113.6T294T294-G297 PolarHBondContact N-O 2.78Å; T294-G297 PolarHBondContact O-N 3.29Å; T294-G297 PolarHBondContact OG1-O 2.85Å
298P94.1Very high91.3Very high95 Ų9567.1 Ų67.162%0.61737%0.366SS*.EExtended strand (participates in β ladder)trans-70.5130.3179.427.5-32.6000111.3V291 K292 F293V291-P298 HydrophobicContact CG1-CB 3.55Å; K292-P298 WeakPolarHBondContact O-CA 2.68Å; F293-P298 HydrophobicContact CD1-CB 4.24Å
299I95.9Very high89.4Confident103 Ų10372.6 Ų72.653%0.52840%0.396SS..EExtended strand (participates in β ladder)trans-106.7114.4175.2-57177.6000108.6V291 K292 T294V291-I299 WeakPolarHBondContact CA-O 3.44Å; K292-I299 PolarHBondContact N-O 3.29Å; K292-I299 PolarHBondContact O-N 3.03Å; T294-I299 HydrophobicContact CG2-CD1 3.8Å; T294-I299 HydrophobicContact CG2-CG1 4.11Å
300K96.8Very high87.5Confident112 Ų11271.6 Ų71.649%0.48740%0.396SS..EExtended strand (participates in β ladder)trans-91.1125177.4-176.2172.9179.3177.10110.7Y289 V291Y289-K300 HydrophobicContact CD1-CD 4.29Å; Y289-K300 HydrophobicContact CD1-CG 4.17Å; Y289-K300 HydrophobicContact CG-CD 4.5Å; Y289-K300 HydrophobicContact CG-CG 4.47Å; V291-K300 HydrophobicContact CG2-CB 4.03Å; V291-K300 HydrophobicContact CG2-CD 4.43Å; V291-K300 HydrophobicContact CG2-CG 3.97Å
301Q96.4Very high85.3Confident107 Ų10774.3 Ų74.350%0.541%0.414SS..EExtended strand (participates in β ladder)trans-122.3133.3176.5-178.3-177.9-8.100110Y289 L290 L303Y289-Q301 CarbonylContact C-O 3.53Å; Y289-Q301 VanDerWaalsContact CA-O 3.23Å; Y289-Q301 WeakPolarHBondContact CA-O 3.43Å; L290-Q301 PolarHBondContact N-O 2.93Å; L290-Q301 PolarHBondContact O-N 3.13Å; Q301-L303 HydrophobicContact CG-CD2 4.08Å
302L96.6Very high82.9Confident83 Ų8381.1 Ų81.144%0.43545%0.449SS..EExtended strand (participates in β ladder)trans-75.4125167.1179.668.6000109.1Y287 Y289 L304Y287-L302 HydrophobicContact CD1-CD1 3.97Å; Y289-L302 HydrophobicContact CD1-CB 4.02Å; Y289-L302 HydrophobicContact CD1-CD1 3.85Å; Y289-L302 HydrophobicContact CE1-CB 3.99Å; Y289-L302 HydrophobicContact CE1-CD1 3.5Å; Y289-L302 VanDerWaalsContact CE1-CD1 3.5Å; Y289-L302 HydrophobicContact CE1-CG 4.3Å; Y289-L302 HydrophobicContact CE2-CD1 4.48Å; Y289-L302 HydrophobicContact CG-CD1 4.48Å; L302-L304 WeakPolarHBondContact CD1-O 3.24Å
303L95.1Very high80.6Confident56 Ų5682.7 Ų82.729%0.29346%0.463SS..EExtended strand (participates in β ladder)trans-102.2-34.8179.9-64.4-170.2000113.5L142 L288 L290 Q301L142-L303 HydrophobicContact CD1-CD1 3.43Å; L142-L303 VanDerWaalsContact CD1-CD1 3.43Å; L288-L303 HydrophobicContact CD2-CB 4.45Å; L288-L303 HydrophobicContact CG-CB 4.27Å; L288-L303 PolarHBondContact O-N 3.34Å; L290-L303 HydrophobicContact CB-CD1 3.52Å; L290-L303 HydrophobicContact CB-CD2 4.21Å; L290-L303 HydrophobicContact CB-CG 3.81Å; L290-L303 HydrophobicContact CD2-CD1 4.23Å; L290-L303 HydrophobicContact CG-CD1 4.5Å; Q301-L303 HydrophobicContact CG-CD2 4.08Å
304L92.4Very high78.4Confident37 Ų3781.1 Ų81.119%0.19446%0.457CS..EExtended strand (participates in β ladder)trans-150.6140.4-177.3-174.765.3000110.6A134 V135 K138 Y287 L288 L302 D309A134-L304 HydrophobicContact CB-CD2 3.97Å; V135-L304 HydrophobicContact CG1-CD2 3.99Å; V135-L304 HydrophobicContact CG1-CG 4.43Å; K138-L304 HydrophobicContact CB-CD2 4.33Å; Y287-L304 WeakPolarHBondContact CA-O 3.49Å; L288-L304 HydrophobicContact CB-CB 4.12Å; L288-L304 PolarHBondContact N-O 3.42Å; L288-L304 PolarHBondContact O-N 3.41Å; L302-L304 WeakPolarHBondContact CD1-O 3.24Å; L304-D309 WeakPolarHBondContact CD1-OD2 3.48Å
305N88.5Confident76.1Confident34 Ų3481 Ų8118%0.18246%0.458CS..EExtended strand (participates in β ladder)trans-126.994.3166.9179.7-0.4000108.8F286 Y287 E307 A308 D309F286-N305 WeakPolarHBondContact O-CA 3.41Å; Y287-N305 HydrophobicContact CD1-CB 4.25Å; Y287-N305 HydrophobicContact CE1-CB 4.22Å; Y287-N305 WeakPolarHBondContact CE1-ND2 3.34Å; N305-E307 PolarHBondContact O-N 3.23Å; N305-E307 PolarHBondContact OD1-N 3.34Å; N305-A308 HydrophobicContact CB-CB 4.2Å; N305-A308 WeakPolarHBondContact ND2-CB 3.38Å; N305-A308 PolarHBondContact O-N 3.25Å; N305-A308 PolarHBondContact OD1-N 3.49Å; N305-D309 PolarHBondContact O-N 3.33Å
306E77.4Confident74.1Confident22 Ų2276.2 Ų76.210%0.10342%0.422CS..Hα-helixtrans-62.8-26.1-175.4178.1168.8-169.600112.9A134 V135 F286 A310A134-E306 HydrophobicContact CB-CB 4.43Å; A134-E306 VanDerWaalsContact CB-CD 3.48Å; A134-E306 HydrophobicContact CB-CG 4.01Å; A134-E306 PolarHBondContact N-OE1 3.38Å; A134-E306 VanDerWaalsContact N-OE1 3.16Å; A134-E306 PolarHBondContact N-OE2 3.44Å; A134-E306 VanDerWaalsContact N-OE2 3.07Å; V135-E306 HydrophobicContact CG1-CB 4.19Å; V135-E306 PolarHBondContact N-OE2 3.41Å; F286-E306 HydrophobicContact CB-CB 4.05Å; F286-E306 HydrophobicContact CD1-CB 4.14Å; F286-E306 HydrophobicContact CD1-CG 4.18Å; F286-E306 HydrophobicContact CG-CB 4.48Å; F286-E306 PolarHBondContact O-N 2.8Å; E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.11Å
307E70.2Confident71.7Confident64 Ų6471.5 Ų71.530%0.29940%0.404SS..Hα-helixtrans-72.6-39.1178.2-173.4170.8-150.100112.2F286 N305 A317 G318F286-E307 HydrophobicContact CB-CB 4.33Å; F286-E307 HydrophobicContact CD2-CB 4.31Å; N305-E307 PolarHBondContact O-N 3.23Å; N305-E307 PolarHBondContact OD1-N 3.34Å; E307-A317 WeakPolarHBondContact OE1-CA 3.36Å; E307-G318 PolarHBondContact OE1-N 2.71Å
308A59.2Low69.6Low70 Ų7070.7 Ų70.758%0.57940%0.396SS*.Hα-helixtrans-73.8-29.117800000112.6N305N305-A308 HydrophobicContact CB-CB 4.2Å; N305-A308 WeakPolarHBondContact ND2-CB 3.38Å; N305-A308 PolarHBondContact O-N 3.25Å; N305-A308 PolarHBondContact OD1-N 3.49Å
309D57.8Low67.6Low115 Ų11566.2 Ų66.262%0.61537%0.367SS*.Hα-helixtrans-90-8.6-177.6-64.8-33.2000113.2L304 N305L304-D309 WeakPolarHBondContact CD1-OD2 3.48Å; N305-D309 PolarHBondContact O-N 3.33Å
310A57.7Low65.1Low23 Ų2362.9 Ų62.919%0.1936%0.355CS..SBendtrans-74135.3176.600000110.9E306 I312E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.11Å; A310-I312 PolarHBondContact O-N 3.38Å
311P51.3Low62.7Low68 Ų6863.8 Ų63.844%0.44237%0.365SS..  trans-51.5139.8170.7-21.428.5000110.3D313 E314 S315P311-D313 PolarHBondContact O-N 3Å; P311-E314 HydrophobicContact CB-CB 4.09Å; P311-E314 HydrophobicContact CB-CG 4.19Å; P311-E314 HydrophobicContact CG-CB 4.15Å; P311-E314 HydrophobicContact CG-CG 4.21Å; P311-E314 CarbonylContact O-C 3.56Å; P311-E314 VanDerWaalsContact O-C 3.28Å; P311-E314 VanDerWaalsContact O-CA 3.31Å; P311-E314 WeakPolarHBondContact O-CA 3.49Å; P311-E314 PolarHBondContact O-N 2.8Å; P311-S315 PolarHBondContact O-N 3.2Å
312I48.3Very low60.9Low150 Ų15060.6 Ų60.677%0.76935%0.348SS*.G310 helixtrans-51.3-39.8-175.1-61.9169.1000112A310 E314 S315A310-I312 PolarHBondContact O-N 3.38Å; I312-E314 VanDerWaalsContact C-N 3.31Å; I312-E314 PolarHBondContact O-N 3.35Å; I312-S315 WeakPolarHBondContact O-CB 3.33Å; I312-S315 PolarHBondContact O-N 2.91Å; I312-S315 PolarHBondContact O-OG 3.26Å
313D47.1Very low59.2Low143 Ų14359.5 Ų59.577%0.76535%0.348SS*.G310 helixtrans-75.9-14.8177.9-70.9-7.7000114.6P311P311-D313 PolarHBondContact O-N 3Å
314E50.4Low57.8Low62 Ų6257.5 Ų57.529%0.2934%0.338SS..G310 helixtrans-108-0.4174.6-64.4-168.1179.400112.3P311 I312 F316 R337P311-E314 HydrophobicContact CB-CB 4.09Å; P311-E314 HydrophobicContact CB-CG 4.19Å; P311-E314 HydrophobicContact CG-CB 4.15Å; P311-E314 HydrophobicContact CG-CG 4.21Å; P311-E314 CarbonylContact O-C 3.56Å; P311-E314 VanDerWaalsContact O-C 3.28Å; P311-E314 VanDerWaalsContact O-CA 3.31Å; P311-E314 WeakPolarHBondContact O-CA 3.49Å; P311-E314 PolarHBondContact O-N 2.8Å; I312-E314 VanDerWaalsContact C-N 3.31Å; I312-E314 PolarHBondContact O-N 3.35Å; E314-F316 WeakPolarHBondContact O-CD2 3.5Å; E314-F316 PolarHBondContact O-N 2.93Å; E314-R337 IonicContact OE2-NH1 3.9Å; E314-R337 PolarHBondContact OE2-NH1 3.45Å
315S45.7Very low56.4Low52 Ų5257.8 Ų57.836%0.36435%0.346SS..  trans-61.8100.6-177.766.60000108.5P311 I312 A317P311-S315 PolarHBondContact O-N 3.2Å; I312-S315 WeakPolarHBondContact O-CB 3.33Å; I312-S315 PolarHBondContact O-N 2.91Å; I312-S315 PolarHBondContact O-OG 3.26Å; S315-A317 PolarHBondContact O-N 3.34Å
316F49.8Very low55.4Low22 Ų2259.7 Ų59.710%0.09635%0.354CS..  trans-75.260.8165.5-75.7-96.3000107.4E314 G318 R322 L330 F333E314-F316 WeakPolarHBondContact O-CD2 3.5Å; E314-F316 PolarHBondContact O-N 2.93Å; F316-G318 PolarHBondContact O-N 3.32Å; F316-G318 VanDerWaalsContact O-N 3.11Å; F316-R322 VanDerWaalsContact C-NH2 3.32Å; F316-L330 HydrophobicContact CB-CD1 3.49Å; F316-L330 VanDerWaalsContact CB-CD1 3.49Å; F316-L330 HydrophobicContact CD1-CB 3.91Å; F316-L330 HydrophobicContact CD1-CD1 3.15Å; F316-L330 HydrophobicContact CD1-CG 4.09Å; F316-L330 HydrophobicContact CD2-CD1 3.45Å; F316-L330 VanDerWaalsContact CD2-CD1 3.45Å; F316-L330 HydrophobicContact CE1-CB 3.81Å; F316-L330 HydrophobicContact CE1-CD1 3.56Å; F316-L330 HydrophobicContact CE1-CG 4.3Å; F316-L330 HydrophobicContact CE2-CD1 3.85Å; F316-L330 HydrophobicContact CG-CD1 3.09Å; F316-L330 HydrophobicContact CG-CG 4.4Å; F316-L330 HydrophobicContact CZ-CD1 3.9Å; F316-F333 AromaticContact CE2-CD1 3.55Å; F316-F333 HydrophobicContact CE2-CD1 3.55Å; F316-F333 AromaticContact CE2-CE1 3.87Å; F316-F333 HydrophobicContact CE2-CE1 3.87Å; F316-F333 HydrophobicContact CZ-CB 4.34Å; F316-F333 AromaticContact CZ-CD1 3.64Å; F316-F333 HydrophobicContact CZ-CD1 3.64Å; F316-F333 HydrophobicContact CZ-CE1 4.3Å; F316-F333 HydrophobicContact CZ-CG 4.19Å
317A43.5Very low55Low55 Ų5558.7 Ų58.746%0.45535%0.349SS..  trans-51.2125.3179.900000108.6E307 S315 R322E307-A317 WeakPolarHBondContact OE1-CA 3.36Å; S315-A317 PolarHBondContact O-N 3.34Å; A317-R322 PolarHBondContact O-NH2 3.49Å
318G47.5Very low55.2Low12 Ų1256.2 Ų56.212%0.12434%0.338CS..  trans51.2120.5-179.400000117.5E307 F316 A320 R322E307-G318 PolarHBondContact OE1-N 2.71Å; F316-G318 PolarHBondContact O-N 3.32Å; F316-G318 VanDerWaalsContact O-N 3.11Å; G318-A320 PolarHBondContact O-N 3.5Å; G318-R322 WeakPolarHBondContact O-CD 3.48Å; G318-R322 WeakPolarHBondContact O-CG 3.36Å; G318-R322 PolarHBondContact O-NE 3.32Å; G318-R322 VanDerWaalsContact O-NE 3.11Å
319Y51Low55.9Low1 Ų154 Ų540%0.00432%0.315CS..SBendtrans-53.7-31.3143.2-88.4-61.5000110.8L133 F268 N285 F286 N321 R322 L327 L330L133-Y319 WeakPolarHBondContact CD1-OH 3.38Å; F268-Y319 HydrophobicContact CB-CD1 4.33Å; F268-Y319 WeakPolarHBondContact CB-O 3.29Å; F268-Y319 AromaticContact CD1-CD1 3.26Å; F268-Y319 HydrophobicContact CD1-CD1 3.26Å; F268-Y319 HydrophobicContact CD1-CD2 4.37Å; F268-Y319 AromaticContact CD1-CE1 3.96Å; F268-Y319 HydrophobicContact CD1-CE1 3.96Å; F268-Y319 AromaticContact CD1-CG 3.51Å; F268-Y319 HydrophobicContact CD1-CG 3.51Å; F268-Y319 AromaticContact CE1-CD1 3.71Å; F268-Y319 HydrophobicContact CE1-CD1 3.71Å; F268-Y319 AromaticContact CE1-CE1 3.94Å; F268-Y319 HydrophobicContact CE1-CE1 3.94Å; F268-Y319 HydrophobicContact CE1-CG 4.07Å; F268-Y319 AromaticContact CG-CD1 3.97Å; F268-Y319 HydrophobicContact CG-CD1 3.97Å; F268-Y319 HydrophobicContact CG-CG 4.44Å; F268-Y319 PolarHBondContact N-O 2.94Å; N285-Y319 HydrophobicContact CB-CD2 4.11Å; F286-Y319 HydrophobicContact CD1-CD2 4.27Å; F286-Y319 HydrophobicContact CD1-CE2 4.05Å; F286-Y319 HydrophobicContact CD2-CD2 4.23Å; F286-Y319 AromaticContact CE1-CD2 3.67Å; F286-Y319 HydrophobicContact CE1-CD2 3.67Å; F286-Y319 AromaticContact CE1-CE2 3.34Å; F286-Y319 HydrophobicContact CE1-CE2 3.34Å; F286-Y319 AromaticContact CE2-CD2 3.64Å; F286-Y319 HydrophobicContact CE2-CD2 3.64Å; F286-Y319 HydrophobicContact CE2-CE2 4.22Å; F286-Y319 HydrophobicContact CE2-CG 4.24Å; F286-Y319 VanDerWaalsContact CE2-N 3.3Å; F286-Y319 AromaticContact CZ-CD2 3.31Å; F286-Y319 HydrophobicContact CZ-CD2 3.31Å; F286-Y319 AromaticContact CZ-CE2 3.44Å; F286-Y319 HydrophobicContact CZ-CE2 3.44Å; F286-Y319 VanDerWaalsContact CZ-CE2 3.44Å; F286-Y319 AromaticContact CZ-CG 3.99Å; F286-Y319 HydrophobicContact CZ-CG 3.99Å; Y319-N321 PolarHBondContact O-N 3.25Å; Y319-R322 WeakPolarHBondContact O-CB 3.42Å; Y319-R322 PolarHBondContact O-N 2.82Å; Y319-L327 HydrophobicContact CD1-CD1 3.66Å; Y319-L327 HydrophobicContact CD1-CG 4.47Å; Y319-L327 HydrophobicContact CE1-CD1 3.26Å; Y319-L327 HydrophobicContact CE1-CG 3.81Å; Y319-L330 HydrophobicContact CD1-CD2 4.29Å; Y319-L330 HydrophobicContact CE1-CD2 3.4Å; Y319-L330 VanDerWaalsContact CE1-CD2 3.4Å; Y319-L330 HydrophobicContact CE2-CD2 4.23Å; Y319-L330 VanDerWaalsContact OH-CD2 3.24Å; Y319-L330 WeakPolarHBondContact OH-CD2 3.43Å
320A43.6Very low56.8Low32 Ų3248.7 Ų48.726%0.26429%0.287SS..THydrogen-bonded Turntrans-41.2-62.5-178.200000110.3N267 F268 G318 R322N267-A320 CarbonylContact C-O 3.57Å; N267-A320 WeakPolarHBondContact CA-O 3.44Å; N267-A320 VanDerWaalsContact CB-C 3.5Å; N267-A320 HydrophobicContact CB-CB 4.24Å; N267-A320 WeakPolarHBondContact CB-O 3.49Å; N267-A320 VanDerWaalsContact OD1-C 3.32Å; N267-A320 PolarHBondContact OD1-O 3.43Å; F268-A320 PolarHBondContact N-O 2.87Å; G318-A320 PolarHBondContact O-N 3.5Å; A320-R322 VanDerWaalsContact C-N 3.29Å; A320-R322 PolarHBondContact O-N 3.47Å; A320-R322 VanDerWaalsContact O-N 3.09Å
321N47.1Very low57.9Low131 Ų13147.6 Ų47.670%0.70128%0.278SS*.THydrogen-bonded Turntrans-89.722.6-173.1-59.3-27.3000114.9N267 Y319N267-N321 PolarHBondContact OD1-OD1 2.89Å; Y319-N321 PolarHBondContact O-N 3.25Å
322R57.8Low59.5Low40 Ų4044.5 Ų44.515%0.15126%0.257CS..  trans-104135.8-170.8-70.4-176.7-166-102-7.8114.5F316 A317 G318 Y319 A320 Q326F316-R322 VanDerWaalsContact C-NH2 3.32Å; A317-R322 PolarHBondContact O-NH2 3.49Å; G318-R322 WeakPolarHBondContact O-CD 3.48Å; G318-R322 WeakPolarHBondContact O-CG 3.36Å; G318-R322 PolarHBondContact O-NE 3.32Å; G318-R322 VanDerWaalsContact O-NE 3.11Å; Y319-R322 WeakPolarHBondContact O-CB 3.42Å; Y319-R322 PolarHBondContact O-N 2.82Å; A320-R322 VanDerWaalsContact C-N 3.29Å; A320-R322 PolarHBondContact O-N 3.47Å; A320-R322 VanDerWaalsContact O-N 3.09Å; R322-Q326 HydrophobicContact CB-CB 3.93Å; R322-Q326 HydrophobicContact CG-CB 4Å
323S62.7Low61.3Low61 Ų6137.7 Ų37.743%0.42722%0.222SC..  trans-70158.6164.372.60000110.7A325 Q326 L327S323-A325 PolarHBondContact O-N 2.99Å; S323-Q326 WeakPolarHBondContact O-CB 3.39Å; S323-Q326 PolarHBondContact O-N 2.7Å; S323-Q326 PolarHBondContact OG-N 3.01Å; S323-L327 PolarHBondContact O-N 3Å; S323-L327 VanDerWaalsContact O-N 3.11Å
324C63.6Low63.1Low13 Ų1331.1 Ų31.19%0.08819%0.187CC..Hα-helixtrans-54-35.2174176.30000112.4L163 I183 Q326 L327 H328L163-C324 HydrophobicContact CD2-CB 4.12Å; I183-C324 WeakPolarHBondContact CG2-SG 3.48Å; C324-Q326 PolarHBondContact O-N 3.13Å; C324-L327 WeakPolarHBondContact O-CB 3.5Å; C324-L327 PolarHBondContact O-N 3.01Å; C324-H328 PolarHBondContact O-CD2 3.26Å; C324-H328 VanDerWaalsContact O-CD2 3.3Å; C324-H328 PolarHBondContact O-N 3.4Å; C324-H328 VanDerWaalsContact O-N 3.13Å
325A64.8Low65Low44 Ų4428.2 Ų28.236%0.36417%0.174SC..Hα-helixtrans-63.2-41.1175.100000112.7S323 L327 H328 Q329S323-A325 PolarHBondContact O-N 2.99Å; A325-L327 VanDerWaalsContact C-N 3.27Å; A325-L327 PolarHBondContact O-N 3.41Å; A325-H328 PolarHBondContact O-N 2.86Å; A325-Q329 WeakPolarHBondContact O-CG 3.26Å; A325-Q329 PolarHBondContact O-N 3.2Å
326Q66.4Low67Low74 Ų7425.7 Ų25.735%0.34616%0.157SC..Hα-helixtrans-69.2-27.9176.7-71.2169.7-40.200112.2R322 S323 C324 L330R322-Q326 HydrophobicContact CB-CB 3.93Å; R322-Q326 HydrophobicContact CG-CB 4Å; S323-Q326 WeakPolarHBondContact O-CB 3.39Å; S323-Q326 PolarHBondContact O-N 2.7Å; S323-Q326 PolarHBondContact OG-N 3.01Å; C324-Q326 PolarHBondContact O-N 3.13Å; Q326-L330 PolarHBondContact O-N 3.34Å; Q326-L330 VanDerWaalsContact O-N 3.09Å
327L70.3Confident68.9Low1 Ų129 Ų291%0.00517%0.169CC..Hα-helixtrans-66.9-45.8173.1-178.1139000111.7M130 F268 Y319 S323 C324 A325 Q329 L330 T331M130-L327 HydrophobicContact CE-CD1 4.31Å; M130-L327 HydrophobicContact CE-CD2 3.78Å; F268-L327 HydrophobicContact CD1-CD1 3.67Å; F268-L327 HydrophobicContact CD2-CD1 3.5Å; F268-L327 HydrophobicContact CE1-CD1 3.38Å; F268-L327 HydrophobicContact CE2-CD1 3.26Å; F268-L327 HydrophobicContact CG-CD1 3.71Å; F268-L327 HydrophobicContact CZ-CD1 3.18Å; Y319-L327 HydrophobicContact CD1-CD1 3.66Å; Y319-L327 HydrophobicContact CD1-CG 4.47Å; Y319-L327 HydrophobicContact CE1-CD1 3.26Å; Y319-L327 HydrophobicContact CE1-CG 3.81Å; S323-L327 PolarHBondContact O-N 3Å; S323-L327 VanDerWaalsContact O-N 3.11Å; C324-L327 WeakPolarHBondContact O-CB 3.5Å; C324-L327 PolarHBondContact O-N 3.01Å; A325-L327 VanDerWaalsContact C-N 3.27Å; A325-L327 PolarHBondContact O-N 3.41Å; L327-Q329 VanDerWaalsContact C-N 3.28Å; L327-Q329 PolarHBondContact O-N 2.97Å; L327-L330 WeakPolarHBondContact O-CB 3.26Å; L327-L330 PolarHBondContact O-N 3.03Å; L327-T331 HydrophobicContact CD2-CG2 4.21Å; L327-T331 HydrophobicContact CG-CG2 4.39Å; L327-T331 WeakPolarHBondContact O-CG2 3.44Å; L327-T331 PolarHBondContact O-N 3.4Å; L327-T331 PolarHBondContact O-OG1 2.9Å; L327-T331 VanDerWaalsContact O-OG1 3.13Å
328H74.5Confident71Confident12 Ų1228.7 Ų28.76%0.05616%0.163CC..Hα-helixtrans-59.7-40.4175.8-75.7-142.8000111.6D99 V100 C324 A325 L330 T331 L332D99-H328 IonicContact OD2-ND1 3.36Å; V100-H328 PolarHBondContact O-CE1 3.5Å; V100-H328 VanDerWaalsContact O-CE1 3.29Å; C324-H328 PolarHBondContact O-CD2 3.26Å; C324-H328 VanDerWaalsContact O-CD2 3.3Å; C324-H328 PolarHBondContact O-N 3.4Å; C324-H328 VanDerWaalsContact O-N 3.13Å; A325-H328 PolarHBondContact O-N 2.86Å; H328-L330 PolarHBondContact O-N 3.28Å; H328-T331 WeakPolarHBondContact CA-OG1 3.35Å; H328-T331 PolarHBondContact O-N 3.3Å; H328-T331 PolarHBondContact O-OG1 2.71Å; H328-T331 VanDerWaalsContact O-OG1 3.06Å; H328-L332 VanDerWaalsContact O-CB 3.23Å; H328-L332 WeakPolarHBondContact O-CB 3.5Å; H328-L332 PolarHBondContact O-N 2.84Å
329Q72.4Confident72.9Confident23 Ų2328.1 Ų28.111%0.10716%0.157CC..Hα-helixtrans-61.8-44.3175.2-69.6175.4-10.200112.4L19 T22 A325 L327 F333L19-Q329 HydrophobicContact CD2-CG 3.78Å; T22-Q329 VanDerWaalsContact OG1-CD 3.3Å; T22-Q329 PolarHBondContact OG1-NE2 3.15Å; T22-Q329 PolarHBondContact OG1-OE1 3.38Å; A325-Q329 WeakPolarHBondContact O-CG 3.26Å; A325-Q329 PolarHBondContact O-N 3.2Å; L327-Q329 VanDerWaalsContact C-N 3.28Å; L327-Q329 PolarHBondContact O-N 2.97Å; Q329-F333 WeakPolarHBondContact O-CB 3.3Å; Q329-F333 PolarHBondContact O-N 2.93Å
330L76.2Confident74.7Confident4 Ų429.4 Ų29.42%0.02116%0.164CC..Hα-helixtrans-61.3-50.3177166.581.5000111L133 F286 F316 Y319 Q326 L327 H328 F333 S334L133-L330 HydrophobicContact CD2-CD2 4.33Å; F286-L330 HydrophobicContact CZ-CD2 4.43Å; F316-L330 HydrophobicContact CB-CD1 3.49Å; F316-L330 VanDerWaalsContact CB-CD1 3.49Å; F316-L330 HydrophobicContact CD1-CB 3.91Å; F316-L330 HydrophobicContact CD1-CD1 3.15Å; F316-L330 HydrophobicContact CD1-CG 4.09Å; F316-L330 HydrophobicContact CD2-CD1 3.45Å; F316-L330 VanDerWaalsContact CD2-CD1 3.45Å; F316-L330 HydrophobicContact CE1-CB 3.81Å; F316-L330 HydrophobicContact CE1-CD1 3.56Å; F316-L330 HydrophobicContact CE1-CG 4.3Å; F316-L330 HydrophobicContact CE2-CD1 3.85Å; F316-L330 HydrophobicContact CG-CD1 3.09Å; F316-L330 HydrophobicContact CG-CG 4.4Å; F316-L330 HydrophobicContact CZ-CD1 3.9Å; Y319-L330 HydrophobicContact CD1-CD2 4.29Å; Y319-L330 HydrophobicContact CE1-CD2 3.4Å; Y319-L330 VanDerWaalsContact CE1-CD2 3.4Å; Y319-L330 HydrophobicContact CE2-CD2 4.23Å; Y319-L330 VanDerWaalsContact OH-CD2 3.24Å; Y319-L330 WeakPolarHBondContact OH-CD2 3.43Å; Q326-L330 PolarHBondContact O-N 3.34Å; Q326-L330 VanDerWaalsContact O-N 3.09Å; L327-L330 WeakPolarHBondContact O-CB 3.26Å; L327-L330 PolarHBondContact O-N 3.03Å; H328-L330 PolarHBondContact O-N 3.28Å; L330-F333 PolarHBondContact O-N 3.48Å; L330-S334 WeakPolarHBondContact O-CB 3.32Å; L330-S334 PolarHBondContact O-N 3.16Å; L330-S334 PolarHBondContact O-OG 3.24Å
331T82Confident76.8Confident0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-67.4-42.8-174.754.80000110.6G129 M130 L327 H328 S334 L335G129-T331 WeakPolarHBondContact CA-O 3.49Å; M130-T331 HydrophobicContact CG-CG2 3.84Å; L327-T331 HydrophobicContact CD2-CG2 4.21Å; L327-T331 HydrophobicContact CG-CG2 4.39Å; L327-T331 WeakPolarHBondContact O-CG2 3.44Å; L327-T331 PolarHBondContact O-N 3.4Å; L327-T331 PolarHBondContact O-OG1 2.9Å; L327-T331 VanDerWaalsContact O-OG1 3.13Å; H328-T331 WeakPolarHBondContact CA-OG1 3.35Å; H328-T331 PolarHBondContact O-N 3.3Å; H328-T331 PolarHBondContact O-OG1 2.71Å; H328-T331 VanDerWaalsContact O-OG1 3.06Å; T331-S334 PolarHBondContact O-N 2.75Å; T331-L335 PolarHBondContact O-N 3.39Å
332L85.3Confident78.8Confident2 Ų229.8 Ų29.81%0.0115%0.154CC..Hα-helixtrans-64.8-41.5175.7-17663000112.4F23 V74 T76 I97 H328 S334 L335 L336F23-L332 HydrophobicContact CE1-CD2 4.3Å; F23-L332 HydrophobicContact CE2-CB 4.23Å; F23-L332 HydrophobicContact CE2-CD2 3.71Å; F23-L332 HydrophobicContact CE2-CG 3.77Å; F23-L332 HydrophobicContact CZ-CD2 3.52Å; F23-L332 HydrophobicContact CZ-CG 3.73Å; V74-L332 HydrophobicContact CG1-CD1 4.22Å; V74-L332 HydrophobicContact CG1-CD2 3.86Å; V74-L332 HydrophobicContact CG1-CG 4.47Å; T76-L332 HydrophobicContact CG2-CD2 3.45Å; T76-L332 VanDerWaalsContact CG2-CD2 3.45Å; I97-L332 HydrophobicContact CG2-CD1 3.88Å; H328-L332 VanDerWaalsContact O-CB 3.23Å; H328-L332 WeakPolarHBondContact O-CB 3.5Å; H328-L332 PolarHBondContact O-N 2.84Å; L332-S334 VanDerWaalsContact C-N 3.34Å; L332-L335 WeakPolarHBondContact O-CB 3.29Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-L336 PolarHBondContact O-N 2.93Å
333F85Confident80.3Confident7 Ų728 Ų283%0.03115%0.147CC..Hα-helixtrans-62.9-42.1173.6176.5-103000111.6F23 R26 L30 F316 Q329 L330 L335 L336 R337F23-F333 HydrophobicContact CE2-CB 4.44Å; R26-F333 HydrophobicContact CB-CD2 3.72Å; R26-F333 HydrophobicContact CB-CE2 3.53Å; R26-F333 HydrophobicContact CB-CZ 4.3Å; R26-F333 HydrophobicContact CG-CE2 4.48Å; L30-F333 HydrophobicContact CD1-CD2 4.09Å; L30-F333 HydrophobicContact CD1-CE2 3.47Å; L30-F333 VanDerWaalsContact CD1-CE2 3.47Å; L30-F333 HydrophobicContact CD1-CZ 4.06Å; L30-F333 HydrophobicContact CG-CE2 3.94Å; L30-F333 HydrophobicContact CG-CZ 4.34Å; F316-F333 AromaticContact CE2-CD1 3.55Å; F316-F333 HydrophobicContact CE2-CD1 3.55Å; F316-F333 AromaticContact CE2-CE1 3.87Å; F316-F333 HydrophobicContact CE2-CE1 3.87Å; F316-F333 HydrophobicContact CZ-CB 4.34Å; F316-F333 AromaticContact CZ-CD1 3.64Å; F316-F333 HydrophobicContact CZ-CD1 3.64Å; F316-F333 HydrophobicContact CZ-CE1 4.3Å; F316-F333 HydrophobicContact CZ-CG 4.19Å; Q329-F333 WeakPolarHBondContact O-CB 3.3Å; Q329-F333 PolarHBondContact O-N 2.93Å; L330-F333 PolarHBondContact O-N 3.48Å; F333-L335 VanDerWaalsContact C-N 3.31Å; F333-L335 PolarHBondContact O-N 2.94Å; F333-L336 PolarHBondContact O-N 3Å; F333-R337 WeakPolarHBondContact O-CB 3.25Å; F333-R337 PolarHBondContact O-N 3.37Å
334S85.3Confident81.4Confident5 Ų528.2 Ų28.24%0.03514%0.142CC..Hα-helixtrans-61.7-39.8177.8-590000111.7L330 T331 L332 R337 S338L330-S334 WeakPolarHBondContact O-CB 3.32Å; L330-S334 PolarHBondContact O-N 3.16Å; L330-S334 PolarHBondContact O-OG 3.24Å; T331-S334 PolarHBondContact O-N 2.75Å; L332-S334 VanDerWaalsContact C-N 3.34Å; S334-R337 PolarHBondContact O-N 2.96Å; S334-S338 VanDerWaalsContact O-CB 3.24Å; S334-S338 WeakPolarHBondContact O-CB 3.45Å; S334-S338 PolarHBondContact O-N 2.86Å
335L89.9Confident82.5Confident1 Ų129.6 Ų29.61%0.00515%0.154CC..Hα-helixtrans-59.6-52.5171.7178.2151000111.5I97 T331 L332 F333 R337 S338 L339I97-L335 HydrophobicContact CD1-CD2 3.98Å; I97-L335 HydrophobicContact CG2-CD2 4.02Å; T331-L335 PolarHBondContact O-N 3.39Å; L332-L335 WeakPolarHBondContact O-CB 3.29Å; L332-L335 PolarHBondContact O-N 2.95Å; F333-L335 VanDerWaalsContact C-N 3.31Å; F333-L335 PolarHBondContact O-N 2.94Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.14Å; L335-S338 PolarHBondContact O-N 3.44Å; L335-L339 HydrophobicContact CD2-CD1 3.96Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 WeakPolarHBondContact O-CB 3.13Å; L335-L339 WeakPolarHBondContact O-CG 3.34Å; L335-L339 PolarHBondContact O-N 2.84Å
336L89Confident83.4Confident0 Ų032.2 Ų32.20%016%0.155CC..Hα-helixtrans-62.4-37.9179.2-75.5175.1000112.4I13 F23 V27 L30 F32 I97 L332 F333 L339 N340 L343I13-L336 HydrophobicContact CD1-CD1 4.19Å; F23-L336 HydrophobicContact CE1-CD1 4.24Å; F23-L336 HydrophobicContact CE2-CD1 4.13Å; F23-L336 HydrophobicContact CZ-CD1 3.43Å; F23-L336 VanDerWaalsContact CZ-CD1 3.43Å; V27-L336 HydrophobicContact CB-CD1 4.39Å; V27-L336 HydrophobicContact CG1-CD1 3.45Å; V27-L336 VanDerWaalsContact CG1-CD1 3.45Å; L30-L336 HydrophobicContact CD1-CB 4.27Å; F32-L336 HydrophobicContact CE1-CD2 4.27Å; F32-L336 HydrophobicContact CZ-CD2 4.33Å; I97-L336 HydrophobicContact CD1-CD2 3.48Å; I97-L336 VanDerWaalsContact CD1-CD2 3.48Å; L332-L336 PolarHBondContact O-N 2.93Å; F333-L336 PolarHBondContact O-N 3Å; L336-L339 CarbonylContact O-C 3.58Å; L336-N340 VanDerWaalsContact O-CA 3.32Å; L336-N340 WeakPolarHBondContact O-CA 3.41Å; L336-N340 WeakPolarHBondContact O-CB 3.24Å; L336-N340 PolarHBondContact O-N 3.41Å; L336-L343 HydrophobicContact CD2-CD1 4.07Å
337R88.1Confident84.3Confident92 Ų9229 Ų2935%0.34714%0.14SC..Hα-helixtrans-63.7-50.3175.5-172.4177.480.9165.20.7110.9L30 E314 F333 S334 L335 L339 N340L30-R337 HydrophobicContact CD1-CB 4.06Å; L30-R337 HydrophobicContact CD2-CB 4.38Å; L30-R337 HydrophobicContact CD2-CG 4.09Å; E314-R337 IonicContact OE2-NH1 3.9Å; E314-R337 PolarHBondContact OE2-NH1 3.45Å; F333-R337 WeakPolarHBondContact O-CB 3.25Å; F333-R337 PolarHBondContact O-N 3.37Å; S334-R337 PolarHBondContact O-N 2.96Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.14Å; R337-L339 VanDerWaalsContact C-N 3.29Å; R337-L339 PolarHBondContact O-N 3.29Å; R337-N340 WeakPolarHBondContact O-CB 3.32Å; R337-N340 PolarHBondContact O-N 2.98Å
338S87.5Confident84.8Confident48 Ų4829.8 Ų29.834%0.33615%0.146SC..Hα-helixtrans-61.6-37.6179.6-177.90000112H132 S334 L335H132-S338 VanDerWaalsContact ND1-CB 3.32Å; H132-S338 WeakPolarHBondContact ND1-CB 3.45Å; H132-S338 PolarHBondContact ND1-OG 2.86Å; S334-S338 VanDerWaalsContact O-CB 3.24Å; S334-S338 WeakPolarHBondContact O-CB 3.45Å; S334-S338 PolarHBondContact O-N 2.86Å; L335-S338 PolarHBondContact O-N 3.44Å
339L89.1Confident84.3Confident0 Ų034.2 Ų34.20%018%0.176CC..THydrogen-bonded Turntrans-97.28.4-176.9-59.6-179.9000113.3L125 L335 L336 R337 K341 P342 L343 T369 A373L125-L339 HydrophobicContact CD1-CD1 3.51Å; L335-L339 HydrophobicContact CD2-CD1 3.96Å; L335-L339 HydrophobicContact CG-CD1 3.93Å; L335-L339 WeakPolarHBondContact O-CB 3.13Å; L335-L339 WeakPolarHBondContact O-CG 3.34Å; L335-L339 PolarHBondContact O-N 2.84Å; L336-L339 CarbonylContact O-C 3.58Å; R337-L339 VanDerWaalsContact C-N 3.29Å; R337-L339 PolarHBondContact O-N 3.29Å; L339-K341 PolarHBondContact O-N 3.44Å; L339-P342 HydrophobicContact CB-CG 4.36Å; L339-P342 HydrophobicContact CD2-CG 4.34Å; L339-P342 WeakPolarHBondContact O-CD 3.39Å; L339-P342 VanDerWaalsContact O-CG 3.25Å; L339-P342 WeakPolarHBondContact O-CG 2.89Å; L339-L343 HydrophobicContact CB-CD1 3.69Å; L339-L343 HydrophobicContact CB-CG 3.95Å; L339-L343 VanDerWaalsContact O-CB 3.22Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CD1 3.4Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.95Å; L339-T369 HydrophobicContact CD2-CG2 3.95Å; L339-A373 HydrophobicContact CD1-CB 3.67Å; L339-A373 HydrophobicContact CD2-CB 4.15Å
340N88.9Confident83.5Confident28 Ų2838.9 Ų38.915%0.1521%0.21CC..Hα-helixtrans-54.4-62.6-173.3-172.62.5000111.5L30 F32 L336 R337 L343 Q344L30-N340 PolarHBondContact O-ND2 2.93Å; L30-N340 PolarHBondContact O-OD1 3.14Å; F32-N340 HydrophobicContact CE2-CB 4.19Å; F32-N340 VanDerWaalsContact CE2-OD1 3.26Å; F32-N340 WeakPolarHBondContact CE2-OD1 3.45Å; F32-N340 HydrophobicContact CZ-CB 4.49Å; L336-N340 VanDerWaalsContact O-CA 3.32Å; L336-N340 WeakPolarHBondContact O-CA 3.41Å; L336-N340 WeakPolarHBondContact O-CB 3.24Å; L336-N340 PolarHBondContact O-N 3.41Å; R337-N340 WeakPolarHBondContact O-CB 3.32Å; R337-N340 PolarHBondContact O-N 2.98Å; N340-L343 PolarHBondContact O-N 3.44Å; N340-Q344 WeakPolarHBondContact O-CG 3.33Å; N340-Q344 PolarHBondContact O-N 3.35Å; N340-Q344 VanDerWaalsContact OD1-CG 3.24Å; N340-Q344 WeakPolarHBondContact OD1-CG 3.4Å; N340-Q344 PolarHBondContact OD1-NE2 3.14Å
341K86.8Confident82.2Confident162 Ų16242.3 Ų42.370%0.70424%0.235SC*.Hα-helixtrans-55-49.7-179.3-68.7-177.9-179.8176.60114.1L339 Q344 A345L339-K341 PolarHBondContact O-N 3.44Å; K341-Q344 PolarHBondContact O-N 2.88Å; K341-A345 PolarHBondContact O-N 3.12Å; K341-A345 VanDerWaalsContact O-N 3.13Å
342P88.5Confident80.4Confident9 Ų945.4 Ų45.46%0.05826%0.256CS..Hα-helixtrans-66.6-36.6178.323.2-32.1000113.1L339 A345 R346 K366 L370L339-P342 HydrophobicContact CB-CG 4.36Å; L339-P342 HydrophobicContact CD2-CG 4.34Å; L339-P342 WeakPolarHBondContact O-CD 3.39Å; L339-P342 VanDerWaalsContact O-CG 3.25Å; L339-P342 WeakPolarHBondContact O-CG 2.89Å; P342-A345 PolarHBondContact O-N 3.06Å; P342-R346 PolarHBondContact O-N 2.75Å; P342-K366 HydrophobicContact CB-CB 4.1Å; P342-K366 VanDerWaalsContact CB-O 3.31Å; P342-K366 WeakPolarHBondContact CB-O 3.31Å; P342-L370 HydrophobicContact CB-CB 4.31Å
343L89.2Confident78.2Confident1 Ų151.1 Ų51.11%0.00530%0.296CS..Hα-helixtrans-63.1-46.5173.8-71.3170.9000111.3F32 I97 V123 L336 L339 N340 A345 R346 L347 L370F32-L343 HydrophobicContact CE1-CB 4.23Å; F32-L343 HydrophobicContact CE1-CD1 4.06Å; F32-L343 HydrophobicContact CZ-CB 4.21Å; F32-L343 HydrophobicContact CZ-CD1 3.95Å; I97-L343 HydrophobicContact CD1-CD1 4.17Å; V123-L343 HydrophobicContact CB-CD2 4.45Å; V123-L343 HydrophobicContact CG1-CD2 3.78Å; V123-L343 HydrophobicContact CG2-CD2 4.26Å; L336-L343 HydrophobicContact CD2-CD1 4.07Å; L339-L343 HydrophobicContact CB-CD1 3.69Å; L339-L343 HydrophobicContact CB-CG 3.95Å; L339-L343 VanDerWaalsContact O-CB 3.22Å; L339-L343 WeakPolarHBondContact O-CB 3.46Å; L339-L343 WeakPolarHBondContact O-CD1 3.4Å; L339-L343 WeakPolarHBondContact O-CG 3.46Å; L339-L343 PolarHBondContact O-N 2.95Å; N340-L343 PolarHBondContact O-N 3.44Å; L343-A345 VanDerWaalsContact C-N 3.27Å; L343-A345 PolarHBondContact O-N 2.9Å; L343-R346 PolarHBondContact O-N 3.08Å; L343-L347 HydrophobicContact CB-CD1 4.33Å; L343-L347 WeakPolarHBondContact O-CB 3.29Å; L343-L347 WeakPolarHBondContact O-CD1 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.38Å; L343-L347 PolarHBondContact O-N 3.15Å; L343-L370 HydrophobicContact CD2-CD1 4.07Å
344Q86.8Confident76.5Confident66 Ų6653.3 Ų53.331%0.30831%0.313SS..Hα-helixtrans-59-41.6177.9-41.7-148.4-3400111.5I11 L30 N340 K341 L347 S348I11-Q344 HydrophobicContact CD1-CB 3.82Å; I11-Q344 HydrophobicContact CD1-CG 3.51Å; L30-Q344 PolarHBondContact O-NE2 2.93Å; N340-Q344 WeakPolarHBondContact O-CG 3.33Å; N340-Q344 PolarHBondContact O-N 3.35Å; N340-Q344 VanDerWaalsContact OD1-CG 3.24Å; N340-Q344 WeakPolarHBondContact OD1-CG 3.4Å; N340-Q344 PolarHBondContact OD1-NE2 3.14Å; K341-Q344 PolarHBondContact O-N 2.88Å; Q344-L347 PolarHBondContact O-N 3.36Å; Q344-S348 WeakPolarHBondContact O-CB 3.33Å; Q344-S348 PolarHBondContact O-N 3.33Å
345A86.1Confident74.7Confident43 Ų4355.9 Ų55.936%0.35533%0.331SS..Hα-helixtrans-64.7-40.5179.200000112.5K341 P342 L343 K366K341-A345 PolarHBondContact O-N 3.12Å; K341-A345 VanDerWaalsContact O-N 3.13Å; P342-A345 PolarHBondContact O-N 3.06Å; L343-A345 VanDerWaalsContact C-N 3.27Å; L343-A345 PolarHBondContact O-N 2.9Å; A345-K366 HydrophobicContact CB-CD 4.23Å
346R84.8Confident72.7Confident99 Ų9963.2 Ų63.237%0.37437%0.365SS..Hα-helixtrans-67.9-40175.5-81.1-69.4-170.3-155-6112.8V123 P342 L343 E367 L370V123-R346 HydrophobicContact CG2-CB 4.27Å; V123-R346 HydrophobicContact CG2-CG 4.29Å; P342-R346 PolarHBondContact O-N 2.75Å; L343-R346 PolarHBondContact O-N 3.08Å; R346-E367 IonicContact CZ-OE1 3.32Å; R346-E367 IonicContact NH1-OE1 3.29Å; R346-E367 PolarHBondContact NH1-OE1 3.04Å; R346-E367 IonicContact NH2-OE1 3.2Å; R346-E367 PolarHBondContact NH2-OE1 2.94Å; R346-L370 HydrophobicContact CG-CD2 3.77Å
347L84.5Confident70.8Confident6 Ų668.4 Ų68.43%0.03140%0.397CS..Hα-helixtrans-80.8-20.7-174.5-65.3167000113.3I11 Q71 L72 H95 L343 Q344I11-L347 HydrophobicContact CB-CD1 4.17Å; I11-L347 HydrophobicContact CD1-CD1 4.06Å; I11-L347 HydrophobicContact CG1-CB 4.27Å; I11-L347 HydrophobicContact CG1-CD1 3.77Å; I11-L347 HydrophobicContact CG2-CD1 3.42Å; I11-L347 VanDerWaalsContact CG2-CD1 3.42Å; Q71-L347 HydrophobicContact CB-CD2 4.09Å; Q71-L347 PolarHBondContact NE2-O 3.31Å; L72-L347 HydrophobicContact CB-CD1 4.43Å; L72-L347 HydrophobicContact CB-CD2 4.5Å; L72-L347 HydrophobicContact CD2-CD1 4.39Å; H95-L347 HydrophobicContact CB-CD2 4.18Å; H95-L347 WeakPolarHBondContact CD2-CD2 3.4Å; L343-L347 HydrophobicContact CB-CD1 4.33Å; L343-L347 WeakPolarHBondContact O-CB 3.29Å; L343-L347 WeakPolarHBondContact O-CD1 3.32Å; L343-L347 WeakPolarHBondContact O-CG 3.38Å; L343-L347 PolarHBondContact O-N 3.15Å; Q344-L347 PolarHBondContact O-N 3.36Å
348S80.7Confident69Low18 Ų1868.4 Ų68.413%0.12640%0.404CS..  trans-128.870179.3-610000111.4S9 Q344 S350S9-S348 WeakPolarHBondContact CB-OG 3.38Å; Q344-S348 WeakPolarHBondContact O-CB 3.33Å; Q344-S348 PolarHBondContact O-N 3.33Å; S348-S350 PolarHBondContact O-N 3.37Å; S348-S350 VanDerWaalsContact O-N 3.11Å
349P64.9Low67.1Low105 Ų10570.6 Ų70.668%0.68241%0.405SS*.THydrogen-bonded Turntrans-64.8-16.8-175.123.7-32.7000114.2
350S54.8Low65.2Low120 Ų12078.2 Ų78.284%0.83944%0.438SS*.THydrogen-bonded Turntrans-89.9-0-168.552.50000116.5S348S348-S350 PolarHBondContact O-N 3.37Å; S348-S350 VanDerWaalsContact O-N 3.11Å
351S48.8Very low63.2Low76 Ų7680 Ų8053%0.53145%0.452SS..  trans-107.910.6-168.571.50000116.9
352S43.8Very low61.7Low65 Ų6575.3 Ų75.346%0.45544%0.437SS..  trans-100111178.462.70000111.8R359S352-R359 PolarHBondContact O-NH2 2.95Å
353S39.2Very low60.3Low122 Ų12278 Ų7885%0.85345%0.454SS*.  trans-103.431.5171.554.80000112.2
354S49Very low59.1Low54 Ų5481.1 Ų81.138%0.37848%0.476SS..SBendtrans-85.2158.4175.149.30000112.4R359S354-R359 PolarHBondContact O-NE 3.45Å; S354-R359 PolarHBondContact O-NH2 3.33Å; S354-R359 VanDerWaalsContact OG-CG 3.23Å; S354-R359 WeakPolarHBondContact OG-CG 3.46Å
355S47.8Very low57.9Low58 Ų5880.7 Ų80.741%0.40648%0.483SS..  trans-53.2145.2172.750.60000112.1T357 D358 R359S355-T357 VanDerWaalsContact C-N 3.26Å; S355-T357 PolarHBondContact O-N 2.97Å; S355-D358 PolarHBondContact O-N 2.69Å; S355-D358 PolarHBondContact OG-OD2 3.29Å; S355-R359 WeakPolarHBondContact O-CG 3.38Å; S355-R359 PolarHBondContact O-N 2.9Å
356E47.6Very low57.2Low156 Ų15682.2 Ų82.273%0.72948%0.482SS*.Hα-helixtrans-57.7-32.8-175.6-90.8-176.9145.400114.6K360E356-K360 PolarHBondContact O-N 2.96Å
357T49.6Very low56.5Low108 Ų10880.6 Ų80.666%0.66348%0.479SS*.Hα-helixtrans-72.1-45.2179.634.80000112.2S355 R359 K360 S361S355-T357 VanDerWaalsContact C-N 3.26Å; S355-T357 PolarHBondContact O-N 2.97Å; T357-R359 VanDerWaalsContact C-N 3.29Å; T357-R359 PolarHBondContact O-N 2.76Å; T357-K360 PolarHBondContact O-N 2.97Å; T357-S361 PolarHBondContact O-N 3.32Å
358D51.6Low56Low93 Ų9385.2 Ų85.250%0.49750%0.5SS..Hα-helixtrans-69.8-28.6176.2-68.1-33000111.9S355 S361 T362S355-D358 PolarHBondContact O-N 2.69Å; S355-D358 PolarHBondContact OG-OD2 3.29Å; D358-S361 PolarHBondContact O-OG 3.48Å; D358-T362 WeakPolarHBondContact O-CB 3.1Å; D358-T362 PolarHBondContact O-N 3.21Å; D358-T362 VanDerWaalsContact O-N 3.1Å; D358-T362 PolarHBondContact O-OG1 3.1Å
359R46.6Very low55.8Low94 Ų9487 Ų8736%0.35551%0.51SS..Hα-helixtrans-60.2-49.6170.6-76.2-174.3-161.5-175.48.3111.2S352 S354 S355 T357 S361 T362 V363S352-R359 PolarHBondContact O-NH2 2.95Å; S354-R359 PolarHBondContact O-NE 3.45Å; S354-R359 PolarHBondContact O-NH2 3.33Å; S354-R359 VanDerWaalsContact OG-CG 3.23Å; S354-R359 WeakPolarHBondContact OG-CG 3.46Å; S355-R359 WeakPolarHBondContact O-CG 3.38Å; S355-R359 PolarHBondContact O-N 2.9Å; T357-R359 VanDerWaalsContact C-N 3.29Å; T357-R359 PolarHBondContact O-N 2.76Å; R359-S361 PolarHBondContact O-N 2.84Å; R359-T362 PolarHBondContact O-N 2.92Å; R359-V363 WeakPolarHBondContact O-CB 3.43Å; R359-V363 WeakPolarHBondContact O-CG2 3.09Å; R359-V363 PolarHBondContact O-N 2.72Å
360K50Low56.7Low159 Ų15982.7 Ų82.769%0.69148%0.481SS*.Hα-helixtrans-63.4-44.5-173.7-73.6-179-177.7-179.90112.7E356 T357 S364E356-K360 PolarHBondContact O-N 2.96Å; T357-K360 PolarHBondContact O-N 2.97Å; K360-S364 WeakPolarHBondContact O-CB 3.39Å; K360-S364 PolarHBondContact O-N 3.43Å; K360-S364 PolarHBondContact O-OG 2.89Å
361S46.6Very low57.9Low65 Ų6582.5 Ų82.546%0.45547%0.471SS..Hα-helixtrans-69.8-40.2178.760.40000112.8T357 D358 R359 S364 A365T357-S361 PolarHBondContact O-N 3.32Å; D358-S361 PolarHBondContact O-OG 3.48Å; R359-S361 PolarHBondContact O-N 2.84Å; S361-S364 PolarHBondContact O-OG 3.44Å; S361-A365 PolarHBondContact O-N 3.43Å; S361-A365 VanDerWaalsContact O-N 3.14Å
362T55.8Low59.6Low64 Ų6481.5 Ų81.539%0.39346%0.458SS..Hα-helixtrans-74.3-36.7-179.3-54.60000111.6D358 R359 K366D358-T362 WeakPolarHBondContact O-CB 3.1Å; D358-T362 PolarHBondContact O-N 3.21Å; D358-T362 VanDerWaalsContact O-N 3.1Å; D358-T362 PolarHBondContact O-OG1 3.1Å; R359-T362 PolarHBondContact O-N 2.92Å; T362-K366 HydrophobicContact CG2-CD 4.11Å; T362-K366 WeakPolarHBondContact O-CB 3.41Å; T362-K366 WeakPolarHBondContact O-CD 3.39Å; T362-K366 WeakPolarHBondContact O-CG 3.2Å; T362-K366 PolarHBondContact O-N 2.95Å; T362-K366 VanDerWaalsContact O-N 3.14Å
363V58.8Low62Low66 Ų6678.5 Ų78.540%0.444%0.436SS..Hα-helixtrans-66.8-45.2175.1171.30000109.6R359 A365 K366 E367R359-V363 WeakPolarHBondContact O-CB 3.43Å; R359-V363 WeakPolarHBondContact O-CG2 3.09Å; R359-V363 PolarHBondContact O-N 2.72Å; V363-A365 PolarHBondContact O-N 3.26Å; V363-K366 PolarHBondContact O-N 3.47Å; V363-E367 HydrophobicContact CG1-CG 4.07Å; V363-E367 WeakPolarHBondContact O-CB 3.42Å; V363-E367 VanDerWaalsContact O-CG 3.29Å; V363-E367 WeakPolarHBondContact O-CG 3.08Å; V363-E367 PolarHBondContact O-N 2.98Å
364S62.6Low64.7Low67 Ų6772.7 Ų72.747%0.46940%0.396SS..Hα-helixtrans-62.4-42.4179.469.70000112.7K360 S361 E367 H368K360-S364 WeakPolarHBondContact O-CB 3.39Å; K360-S364 PolarHBondContact O-N 3.43Å; K360-S364 PolarHBondContact O-OG 2.89Å; S361-S364 PolarHBondContact O-OG 3.44Å; S364-E367 PolarHBondContact O-N 3.03Å; S364-H368 WeakPolarHBondContact O-CB 3.35Å; S364-H368 PolarHBondContact O-N 3.16Å
365A62.2Low66.9Low57 Ų5772.6 Ų72.647%0.47139%0.391SS..Hα-helixtrans-64.2-41.3176.600000112.3S361 V363 H368 T369S361-A365 PolarHBondContact O-N 3.43Å; S361-A365 VanDerWaalsContact O-N 3.14Å; V363-A365 PolarHBondContact O-N 3.26Å; A365-H368 PolarHBondContact O-N 3.48Å; A365-T369 PolarHBondContact O-N 3.32Å; A365-T369 PolarHBondContact O-OG1 3.16Å
366K71Confident69.1Low74 Ų7470 Ų7032%0.32237%0.373SS..Hα-helixtrans-67-42.5177-74.8172.1-178.3175.60112.1P342 A345 T362 V363 H368 T369 L370P342-K366 HydrophobicContact CB-CB 4.1Å; P342-K366 VanDerWaalsContact CB-O 3.31Å; P342-K366 WeakPolarHBondContact CB-O 3.31Å; A345-K366 HydrophobicContact CB-CD 4.23Å; T362-K366 HydrophobicContact CG2-CD 4.11Å; T362-K366 WeakPolarHBondContact O-CB 3.41Å; T362-K366 WeakPolarHBondContact O-CD 3.39Å; T362-K366 WeakPolarHBondContact O-CG 3.2Å; T362-K366 PolarHBondContact O-N 2.95Å; T362-K366 VanDerWaalsContact O-N 3.14Å; V363-K366 PolarHBondContact O-N 3.47Å; K366-H368 VanDerWaalsContact C-N 3.32Å; K366-T369 PolarHBondContact O-N 3.45Å; K366-L370 PolarHBondContact O-N 3.36Å
367E70.7Confident71.4Confident66 Ų6666.6 Ų66.631%0.30836%0.357SS..Hα-helixtrans-64.7-39.3176-73-176.3149.900111R346 V363 S364 T369 L370 N371R346-E367 IonicContact CZ-OE1 3.32Å; R346-E367 IonicContact NH1-OE1 3.29Å; R346-E367 PolarHBondContact NH1-OE1 3.04Å; R346-E367 IonicContact NH2-OE1 3.2Å; R346-E367 PolarHBondContact NH2-OE1 2.94Å; V363-E367 HydrophobicContact CG1-CG 4.07Å; V363-E367 WeakPolarHBondContact O-CB 3.42Å; V363-E367 VanDerWaalsContact O-CG 3.29Å; V363-E367 WeakPolarHBondContact O-CG 3.08Å; V363-E367 PolarHBondContact O-N 2.98Å; S364-E367 PolarHBondContact O-N 3.03Å; E367-T369 PolarHBondContact O-N 2.92Å; E367-L370 PolarHBondContact O-N 2.95Å; E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 PolarHBondContact O-N 2.87Å; E367-N371 PolarHBondContact O-ND2 3.25Å; E367-N371 PolarHBondContact O-OD1 3.38Å
368H73.4Confident73.6Confident103 Ų10362.8 Ų62.848%0.47733%0.332SS..Hα-helixtrans-58.4-48.6175.3-172.9-79000112.2S364 A365 K366 L370 N371 E372S364-H368 WeakPolarHBondContact O-CB 3.35Å; S364-H368 PolarHBondContact O-N 3.16Å; A365-H368 PolarHBondContact O-N 3.48Å; K366-H368 VanDerWaalsContact C-N 3.32Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.22Å; H368-N371 PolarHBondContact O-N 2.98Å; H368-N371 VanDerWaalsContact O-N 3.14Å; H368-E372 IonicContact CE1-OE1 3.33Å; H368-E372 PolarHBondContact CE1-OE1 3.41Å; H368-E372 IonicContact CE1-OE2 3.89Å; H368-E372 PolarHBondContact CE1-OE2 2.89Å; H368-E372 IonicContact ND1-OE1 3.28Å; H368-E372 IonicContact ND1-OE2 3.27Å; H368-E372 PolarHBondContact ND1-OE2 3.08Å; H368-E372 PolarHBondContact O-N 3.3Å
369T77.8Confident75.8Confident55 Ų5558.6 Ų58.634%0.33731%0.311SS..Hα-helixtrans-61.6-36.9178.1-50.10000112.3L339 A365 K366 E367 A373L339-T369 HydrophobicContact CD2-CG2 3.95Å; A365-T369 PolarHBondContact O-N 3.32Å; A365-T369 PolarHBondContact O-OG1 3.16Å; K366-T369 PolarHBondContact O-N 3.45Å; E367-T369 PolarHBondContact O-N 2.92Å; T369-A373 PolarHBondContact O-N 3.37Å
370L82.4Confident78.2Confident14 Ų1454.4 Ų54.47%0.07330%0.295CS..Hα-helixtrans-69.5-36.7176.4-170.968.3000111.9V123 L125 P342 L343 R346 K366 E367 H368 E372 A373V123-L370 HydrophobicContact CG1-CD1 4.16Å; V123-L370 HydrophobicContact CG2-CD1 4.47Å; V123-L370 HydrophobicContact CG2-CD2 4.03Å; L125-L370 HydrophobicContact CD1-CD1 4Å; P342-L370 HydrophobicContact CB-CB 4.31Å; L343-L370 HydrophobicContact CD2-CD1 4.07Å; R346-L370 HydrophobicContact CG-CD2 3.77Å; K366-L370 PolarHBondContact O-N 3.36Å; E367-L370 PolarHBondContact O-N 2.95Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.22Å; L370-E372 VanDerWaalsContact C-N 3.35Å; L370-A373 WeakPolarHBondContact O-CB 3.28Å; L370-A373 PolarHBondContact O-N 2.76Å
371N80.6Confident80.4Confident116 Ų11647.2 Ų47.262%0.6226%0.264SS*.Hα-helixtrans-73.9-24.9179-66-13.9000112.7E367 H368 A373E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 PolarHBondContact O-N 2.87Å; E367-N371 PolarHBondContact O-ND2 3.25Å; E367-N371 PolarHBondContact O-OD1 3.38Å; H368-N371 PolarHBondContact O-N 2.98Å; H368-N371 VanDerWaalsContact O-N 3.14Å; N371-A373 VanDerWaalsContact C-N 3.34Å
372E85.2Confident82.9Confident56 Ų5644.3 Ų44.326%0.26224%0.243SC..THydrogen-bonded Turntrans-80.7-14172.7-73.4-172.5134.700113.3R131 R144 H368 L370R131-E372 PolarHBondContact NH1-O 3.14Å; R144-E372 IonicContact CZ-OE1 3.77Å; R144-E372 IonicContact NH1-OE1 2.64Å; R144-E372 PolarHBondContact NH1-OE1 3.49Å; R144-E372 IonicContact NH2-OE1 2.92Å; R144-E372 PolarHBondContact NH2-OE1 3.2Å; H368-E372 IonicContact CE1-OE1 3.33Å; H368-E372 PolarHBondContact CE1-OE1 3.41Å; H368-E372 IonicContact CE1-OE2 3.89Å; H368-E372 PolarHBondContact CE1-OE2 2.89Å; H368-E372 IonicContact ND1-OE1 3.28Å; H368-E372 IonicContact ND1-OE2 3.27Å; H368-E372 PolarHBondContact ND1-OE2 3.08Å; H368-E372 PolarHBondContact O-N 3.3Å; L370-E372 VanDerWaalsContact C-N 3.35Å
373A93Very high84.8Confident1 Ų142.1 Ų42.11%0.00823%0.228CC..SBendtrans-68.8146.2174.400000110.6L125 L339 T369 L370 N371 N375L125-A373 HydrophobicContact CD1-CB 4.1Å; L125-A373 HydrophobicContact CD2-CB 3.77Å; L339-A373 HydrophobicContact CD1-CB 3.67Å; L339-A373 HydrophobicContact CD2-CB 4.15Å; T369-A373 PolarHBondContact O-N 3.37Å; L370-A373 WeakPolarHBondContact O-CB 3.28Å; L370-A373 PolarHBondContact O-N 2.76Å; N371-A373 VanDerWaalsContact C-N 3.34Å; A373-N375 PolarHBondContact O-N 2.88Å
374A95.4Very high86.7Confident1 Ų139.1 Ų39.11%0.00821%0.211CC..  trans-65.9134.2-176.100000111.5L125 V126 F128 D378L125-A374 WeakPolarHBondContact CA-O 3.36Å; V126-A374 PolarHBondContact N-O 3.11Å; F128-A374 HydrophobicContact CB-CB 3.87Å; F128-A374 HydrophobicContact CD2-CB 3.65Å; F128-A374 HydrophobicContact CG-CB 4.25Å; A374-D378 VanDerWaalsContact CA-OD2 3.28Å; A374-D378 WeakPolarHBondContact CA-OD2 3.44Å; A374-D378 HydrophobicContact CB-CB 4.28Å
375N95.3Very high88.4Confident51 Ų5136 Ų3627%0.27319%0.189SC..BIsolated β-bridgetrans-119.3-173.7-175.767.342.3000111.7V126 A373 E377 D378 A379V126-N375 WeakPolarHBondContact CG2-O 3.5Å; A373-N375 PolarHBondContact O-N 2.88Å; N375-E377 PolarHBondContact O-N 2.72Å; N375-E377 WeakPolarHBondContact OD1-CA 3.28Å; N375-E377 WeakPolarHBondContact OD1-CB 3.42Å; N375-E377 PolarHBondContact OD1-N 2.75Å; N375-D378 PolarHBondContact N-OD2 3.49Å; N375-D378 WeakPolarHBondContact O-CB 3.49Å; N375-D378 PolarHBondContact O-N 3.34Å; N375-D378 PolarHBondContact OD1-N 3.38Å; N375-D378 PolarHBondContact OD1-OD2 2.91Å; N375-A379 PolarHBondContact O-N 2.94Å; N375-A379 VanDerWaalsContact O-N 3.12Å
376F95.7Very high90Very high3 Ų333.2 Ų33.21%0.01317%0.166CC..Hα-helixtrans-69.6-17.4-179.2-71.2-68.6000114.4L90 V96 C98 M112 L113 A116 A124 V126 L380L90-F376 HydrophobicContact CD1-CD2 4.46Å; L90-F376 HydrophobicContact CD1-CE2 3.86Å; L90-F376 HydrophobicContact CD1-CZ 4.45Å; V96-F376 HydrophobicContact CG1-CZ 4.18Å; C98-F376 HydrophobicContact CB-CE1 4.06Å; C98-F376 HydrophobicContact CB-CZ 3.98Å; M112-F376 HydrophobicContact CB-CD1 3.8Å; M112-F376 HydrophobicContact CB-CE1 4.17Å; M112-F376 HydrophobicContact CB-CG 4.31Å; M112-F376 HydrophobicContact CE-CD1 3.84Å; M112-F376 HydrophobicContact CE-CE1 3.24Å; M112-F376 HydrophobicContact CE-CZ 4.13Å; L113-F376 HydrophobicContact CB-CB 4.19Å; L113-F376 HydrophobicContact CD1-CB 4.15Å; A116-F376 HydrophobicContact CB-CB 4.49Å; A116-F376 HydrophobicContact CB-CD2 3.61Å; A116-F376 HydrophobicContact CB-CE2 4.31Å; A116-F376 HydrophobicContact CB-CG 4.4Å; A124-F376 HydrophobicContact CB-CD2 3.82Å; A124-F376 HydrophobicContact CB-CE2 3.75Å; V126-F376 HydrophobicContact CG2-CD1 3.59Å; V126-F376 HydrophobicContact CG2-CE1 3.66Å; V126-F376 HydrophobicContact CG2-CG 4.14Å; V126-F376 HydrophobicContact CG2-CZ 4.33Å; F376-L380 WeakPolarHBondContact O-CB 3.38Å; F376-L380 PolarHBondContact O-N 2.8Å
377E95.4Very high91.2Very high85 Ų8532.3 Ų32.340%0.39716%0.163SC..Hα-helixtrans-72.5-42.7170.9-157.7-161139.700110.7L113 R199 N375 A379 L380 Y381L113-E377 HydrophobicContact CD1-CB 4.15Å; L113-E377 HydrophobicContact CD2-CG 4.38Å; R199-E377 IonicContact CZ-OE1 3.44Å; R199-E377 VanDerWaalsContact CZ-OE1 3.29Å; R199-E377 IonicContact NH1-OE1 2.9Å; R199-E377 PolarHBondContact NH1-OE1 3.11Å; R199-E377 IonicContact NH2-OE1 3.66Å; R199-E377 PolarHBondContact NH2-OE1 2.87Å; N375-E377 PolarHBondContact O-N 2.72Å; N375-E377 WeakPolarHBondContact OD1-CA 3.28Å; N375-E377 WeakPolarHBondContact OD1-CB 3.42Å; N375-E377 PolarHBondContact OD1-N 2.75Å; E377-A379 VanDerWaalsContact C-N 3.33Å; E377-A379 PolarHBondContact O-N 3.33Å; E377-L380 PolarHBondContact O-N 2.74Å; E377-Y381 PolarHBondContact O-N 2.63Å
378D96.4Very high92.5Very high28 Ų2829.5 Ų29.515%0.1515%0.151CC..Hα-helixtrans-59.1-45.4171.6-63.7-72.2000110.8F128 R131 A374 N375 L380 Y381 V382F128-D378 HydrophobicContact CE2-CB 4.44Å; R131-D378 IonicContact CZ-OD1 3.93Å; R131-D378 IonicContact NH1-OD1 3Å; R131-D378 IonicContact NH1-OD2 3.81Å; R131-D378 VanDerWaalsContact NH2-CG 3.29Å; R131-D378 IonicContact NH2-OD1 2.79Å; R131-D378 PolarHBondContact NH2-OD1 3Å; R131-D378 IonicContact NH2-OD2 3.05Å; A374-D378 VanDerWaalsContact CA-OD2 3.28Å; A374-D378 WeakPolarHBondContact CA-OD2 3.44Å; A374-D378 HydrophobicContact CB-CB 4.28Å; N375-D378 PolarHBondContact N-OD2 3.49Å; N375-D378 WeakPolarHBondContact O-CB 3.49Å; N375-D378 PolarHBondContact O-N 3.34Å; N375-D378 PolarHBondContact OD1-N 3.38Å; N375-D378 PolarHBondContact OD1-OD2 2.91Å; D378-L380 PolarHBondContact O-N 3.12Å; D378-Y381 PolarHBondContact O-N 3.12Å; D378-V382 WeakPolarHBondContact O-CB 3.18Å; D378-V382 VanDerWaalsContact O-CG2 3.27Å; D378-V382 WeakPolarHBondContact O-CG2 3.3Å; D378-V382 PolarHBondContact O-N 2.89Å
379A96Very high93.7Very high5 Ų524.6 Ų24.64%0.04113%0.128CC..Hα-helixtrans-63.2-39.6177.500000113.4V126 F128 N375 E377 Y381 K383V126-A379 HydrophobicContact CB-CB 4.37Å; V126-A379 HydrophobicContact CG1-CB 4.11Å; V126-A379 HydrophobicContact CG2-CB 3.74Å; F128-A379 HydrophobicContact CE2-CB 4.24Å; N375-A379 PolarHBondContact O-N 2.94Å; N375-A379 VanDerWaalsContact O-N 3.12Å; E377-A379 VanDerWaalsContact C-N 3.33Å; E377-A379 PolarHBondContact O-N 3.33Å; A379-Y381 VanDerWaalsContact C-N 3.34Å; A379-K383 VanDerWaalsContact O-CB 3.24Å; A379-K383 WeakPolarHBondContact O-CB 3.47Å; A379-K383 PolarHBondContact O-N 3.07Å
380L97.2Very high94.5Very high6 Ų623.1 Ų23.13%0.03112%0.117CC..Hα-helixtrans-60.5-46.6174.5176.462.1000110.9L106 A109 V110 L113 F376 E377 D378 K383 A384 M403 P404L106-L380 HydrophobicContact CD2-CD1 3.95Å; A109-L380 HydrophobicContact CB-CB 4.24Å; A109-L380 HydrophobicContact CB-CD1 3.53Å; V110-L380 HydrophobicContact CG2-CD1 3.81Å; V110-L380 HydrophobicContact CG2-CD2 4.23Å; L113-L380 HydrophobicContact CD2-CD2 3.73Å; F376-L380 WeakPolarHBondContact O-CB 3.38Å; F376-L380 PolarHBondContact O-N 2.8Å; E377-L380 PolarHBondContact O-N 2.74Å; D378-L380 PolarHBondContact O-N 3.12Å; L380-K383 PolarHBondContact O-N 3.24Å; L380-A384 PolarHBondContact O-N 3.09Å; L380-M403 HydrophobicContact CD2-CE 3.95Å; L380-M403 HydrophobicContact CG-CE 3.74Å; L380-P404 HydrophobicContact CD1-CG 3.79Å; L380-P404 HydrophobicContact CD2-CG 4.32Å; L380-P404 HydrophobicContact CG-CG 4.45Å
381Y97.6Very high95.2Very high8 Ų826 Ų263%0.03113%0.132CC..Hα-helixtrans-63-50.6177.9176.1-98.4000112C193 R199 A200 E377 D378 A379 K383 A384 V385 I401 M403C193-Y381 VanDerWaalsContact SG-CE1 3.51Å; R199-Y381 HydrophobicContact CB-CD2 4.24Å; R199-Y381 HydrophobicContact CB-CE1 4.14Å; R199-Y381 HydrophobicContact CB-CE2 3.56Å; R199-Y381 VanDerWaalsContact CD-CD2 3.41Å; R199-Y381 HydrophobicContact CG-CD1 4.01Å; R199-Y381 HydrophobicContact CG-CD2 3.86Å; R199-Y381 HydrophobicContact CG-CE1 3.84Å; R199-Y381 HydrophobicContact CG-CE2 3.67Å; R199-Y381 HydrophobicContact CG-CG 4.02Å; A200-Y381 WeakPolarHBondContact CA-OH 3.36Å; A200-Y381 WeakPolarHBondContact CB-OH 3.45Å; A200-Y381 PolarHBondContact N-OH 3.27Å; A200-Y381 PolarHBondContact O-OH 2.95Å; E377-Y381 PolarHBondContact O-N 2.63Å; D378-Y381 PolarHBondContact O-N 3.12Å; A379-Y381 VanDerWaalsContact C-N 3.34Å; Y381-K383 PolarHBondContact O-N 3.3Å; Y381-A384 WeakPolarHBondContact O-CA 3.45Å; Y381-A384 WeakPolarHBondContact O-CB 3.31Å; Y381-A384 PolarHBondContact O-N 3.36Å; Y381-V385 HydrophobicContact CD1-CG2 4.06Å; Y381-V385 HydrophobicContact CE1-CG2 3.44Å; Y381-V385 VanDerWaalsContact CE1-CG2 3.44Å; Y381-V385 HydrophobicContact CE2-CG2 4Å; Y381-V385 VanDerWaalsContact CZ-CG2 3.4Å; Y381-V385 WeakPolarHBondContact O-CG2 3.26Å; Y381-V385 PolarHBondContact O-N 3.49Å; Y381-I401 HydrophobicContact CE2-CG2 4.02Å; Y381-M403 HydrophobicContact CD2-CE 4.41Å; Y381-M403 HydrophobicContact CD2-SD 3.7Å
382V97.4Very high96.1Very high4 Ų420.4 Ų20.42%0.02410%0.102CC..Hα-helixtrans-57.8-39.5178.21710000110.7F128 I189 D190 D378 A384 V385 V386F128-V382 HydrophobicContact CE1-CG1 4.11Å; F128-V382 HydrophobicContact CE1-CG2 4.37Å; F128-V382 HydrophobicContact CE2-CG2 4.15Å; F128-V382 HydrophobicContact CZ-CB 3.82Å; F128-V382 HydrophobicContact CZ-CG1 3.79Å; F128-V382 HydrophobicContact CZ-CG2 3.73Å; I189-V382 HydrophobicContact CB-CG1 4.34Å; I189-V382 HydrophobicContact CG2-CB 4.47Å; I189-V382 HydrophobicContact CG2-CG1 4.26Å; I189-V382 HydrophobicContact CG2-CG2 4.11Å; D190-V382 HydrophobicContact CB-CG2 3.94Å; D378-V382 WeakPolarHBondContact O-CB 3.18Å; D378-V382 VanDerWaalsContact O-CG2 3.27Å; D378-V382 WeakPolarHBondContact O-CG2 3.3Å; D378-V382 PolarHBondContact O-N 2.89Å; V382-A384 PolarHBondContact O-N 3.01Å; V382-V385 PolarHBondContact O-N 3.3Å; V382-V386 HydrophobicContact CG1-CG2 4.47Å; V382-V386 WeakPolarHBondContact O-CG2 3.38Å; V382-V386 PolarHBondContact O-N 3.36Å
383K97Very high96.6Very high18 Ų1819.4 Ų19.48%0.07810%0.101CC..Hα-helixtrans-62.7-41.4174.8-176.755.1171.2171.50111.8L104 L106 A379 L380 Y381 V386 E387L104-K383 VanDerWaalsContact C-CE 3.47Å; L104-K383 WeakPolarHBondContact O-CE 3.4Å; L104-K383 PolarHBondContact O-NZ 3.35Å; L106-K383 HydrophobicContact CD2-CB 4.16Å; L106-K383 HydrophobicContact CD2-CG 3.87Å; L106-K383 HydrophobicContact CG-CG 4.22Å; A379-K383 VanDerWaalsContact O-CB 3.24Å; A379-K383 WeakPolarHBondContact O-CB 3.47Å; A379-K383 PolarHBondContact O-N 3.07Å; L380-K383 PolarHBondContact O-N 3.24Å; Y381-K383 PolarHBondContact O-N 3.3Å; K383-V386 PolarHBondContact O-N 3.2Å; K383-E387 HydrophobicContact CD-CG 4.34Å; K383-E387 WeakPolarHBondContact CE-OE1 3.38Å; K383-E387 IonicContact NZ-OE1 2.76Å; K383-E387 PolarHBondContact NZ-OE1 2.62Å; K383-E387 WeakPolarHBondContact O-CG 3.22Å; K383-E387 PolarHBondContact O-N 3.36Å
384A97.7Very high96.8Very high4 Ų426.2 Ų26.23%0.03314%0.137CC..Hα-helixtrans-62.1-43.5175.300000111.8L106 L380 Y381 V382 V386 E387 A388 I401 M403L106-A384 HydrophobicContact CD2-CB 3.9Å; L380-A384 PolarHBondContact O-N 3.09Å; Y381-A384 WeakPolarHBondContact O-CA 3.45Å; Y381-A384 WeakPolarHBondContact O-CB 3.31Å; Y381-A384 PolarHBondContact O-N 3.36Å; V382-A384 PolarHBondContact O-N 3.01Å; A384-V386 PolarHBondContact O-N 3.17Å; A384-E387 PolarHBondContact O-N 3.25Å; A384-A388 WeakPolarHBondContact O-CB 3.35Å; A384-A388 PolarHBondContact O-N 3.37Å; A384-I401 HydrophobicContact CB-CG2 4Å; A384-M403 HydrophobicContact CB-SD 3.76Å
385V97.9Very high96.9Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-60.8-45.7175.2-178.90000111.2I189 V203 M248 Y381 V382 E387 A388 I389 I401I189-V385 HydrophobicContact CD1-CB 4.36Å; I189-V385 HydrophobicContact CD1-CG1 3.85Å; I189-V385 HydrophobicContact CG1-CG1 4.13Å; I189-V385 HydrophobicContact CG2-CB 3.9Å; I189-V385 HydrophobicContact CG2-CG1 3.74Å; I189-V385 HydrophobicContact CG2-CG2 4.08Å; V203-V385 HydrophobicContact CG1-CG1 3.98Å; M248-V385 HydrophobicContact CE-CG1 4.41Å; Y381-V385 HydrophobicContact CD1-CG2 4.06Å; Y381-V385 HydrophobicContact CE1-CG2 3.44Å; Y381-V385 VanDerWaalsContact CE1-CG2 3.44Å; Y381-V385 HydrophobicContact CE2-CG2 4Å; Y381-V385 VanDerWaalsContact CZ-CG2 3.4Å; Y381-V385 WeakPolarHBondContact O-CG2 3.26Å; Y381-V385 PolarHBondContact O-N 3.49Å; V382-V385 PolarHBondContact O-N 3.3Å; V385-E387 PolarHBondContact O-N 2.91Å; V385-A388 PolarHBondContact O-N 3.39Å; V385-I389 HydrophobicContact CG1-CD1 3.84Å; V385-I389 HydrophobicContact CG1-CG1 4.37Å; V385-I389 VanDerWaalsContact O-CG1 3.3Å; V385-I389 WeakPolarHBondContact O-CG1 3.28Å; V385-I389 PolarHBondContact O-N 2.91Å; V385-I401 HydrophobicContact CG2-CD1 3.81Å; V385-I401 HydrophobicContact CG2-CG1 4.32Å; V385-I401 HydrophobicContact CG2-CG2 4.2Å
386V96.9Very high96.9Very high0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-60.1-44.7178.2165.40000111.7L181 N182 I189 V382 K383 A384 I389 K390L181-V386 HydrophobicContact CD2-CG1 4.2Å; L181-V386 HydrophobicContact CG-CG1 4.14Å; L181-V386 HydrophobicContact CG-CG2 4.45Å; N182-V386 VanDerWaalsContact OD1-CG1 3.28Å; N182-V386 WeakPolarHBondContact OD1-CG1 3.37Å; I189-V386 HydrophobicContact CD1-CG2 3.65Å; V382-V386 HydrophobicContact CG1-CG2 4.47Å; V382-V386 WeakPolarHBondContact O-CG2 3.38Å; V382-V386 PolarHBondContact O-N 3.36Å; K383-V386 PolarHBondContact O-N 3.2Å; A384-V386 PolarHBondContact O-N 3.17Å; V386-I389 PolarHBondContact O-N 3.36Å; V386-K390 HydrophobicContact CG1-CD 4.48Å; V386-K390 WeakPolarHBondContact O-CG 3.4Å; V386-K390 PolarHBondContact O-N 3.15Å; V386-K390 VanDerWaalsContact O-N 3.13Å
387E96.3Very high96.9Very high55 Ų5539.3 Ų39.326%0.25721%0.209SC..Hα-helixtrans-67.1-39.2176.7-64.7-50.9129.300111.8K383 A384 V385 I389 K390 L391K383-E387 HydrophobicContact CD-CG 4.34Å; K383-E387 WeakPolarHBondContact CE-OE1 3.38Å; K383-E387 IonicContact NZ-OE1 2.76Å; K383-E387 PolarHBondContact NZ-OE1 2.62Å; K383-E387 WeakPolarHBondContact O-CG 3.22Å; K383-E387 PolarHBondContact O-N 3.36Å; A384-E387 PolarHBondContact O-N 3.25Å; V385-E387 PolarHBondContact O-N 2.91Å; E387-I389 PolarHBondContact O-N 2.93Å; E387-K390 PolarHBondContact O-N 3.42Å; E387-K390 IonicContact OE1-NZ 3.74Å; E387-K390 PolarHBondContact OE1-NZ 3.05Å; E387-L391 WeakPolarHBondContact O-CG 3.29Å; E387-L391 PolarHBondContact O-N 3.32Å
388A97.8Very high97Very high6 Ų638.4 Ų38.45%0.0521%0.207CC..Hα-helixtrans-62.7-39.9174.900000112.3V203 A384 V385 L391 A392 V399 I401V203-A388 HydrophobicContact CG2-CB 3.51Å; A384-A388 WeakPolarHBondContact O-CB 3.35Å; A384-A388 PolarHBondContact O-N 3.37Å; V385-A388 PolarHBondContact O-N 3.39Å; A388-L391 PolarHBondContact O-N 2.77Å; A388-A392 WeakPolarHBondContact O-CB 3.4Å; A388-A392 PolarHBondContact O-N 2.8Å; A388-V399 HydrophobicContact CB-CG1 4.03Å; A388-I401 HydrophobicContact CB-CG1 4.16Å
389I97.9Very high97.1Very high0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-64.1-43.1175.6-69.3164.2000110.9L181 I189 V203 V207 F246 V385 V386 E387 L391 A392 S393L181-I389 HydrophobicContact CD1-CD1 4.08Å; L181-I389 HydrophobicContact CD1-CG2 4.33Å; L181-I389 HydrophobicContact CD2-CB 4.16Å; L181-I389 HydrophobicContact CD2-CG2 3.77Å; I189-I389 HydrophobicContact CD1-CD1 3.89Å; V203-I389 HydrophobicContact CB-CG1 3.94Å; V203-I389 HydrophobicContact CG1-CG1 4.08Å; V203-I389 HydrophobicContact CG2-CG1 3.92Å; V207-I389 HydrophobicContact CG2-CG2 3.75Å; F246-I389 HydrophobicContact CB-CD1 4.25Å; F246-I389 HydrophobicContact CB-CG1 4.26Å; F246-I389 HydrophobicContact CB-CG2 4.11Å; F246-I389 HydrophobicContact CD1-CD1 4.05Å; F246-I389 HydrophobicContact CD2-CD1 3.56Å; F246-I389 HydrophobicContact CD2-CG1 4.29Å; F246-I389 HydrophobicContact CE1-CD1 4.23Å; F246-I389 HydrophobicContact CE2-CD1 3.76Å; F246-I389 HydrophobicContact CG-CD1 3.7Å; F246-I389 HydrophobicContact CG-CG1 4.25Å; F246-I389 HydrophobicContact CG-CG2 4.43Å; F246-I389 HydrophobicContact CZ-CD1 4.09Å; V385-I389 HydrophobicContact CG1-CD1 3.84Å; V385-I389 HydrophobicContact CG1-CG1 4.37Å; V385-I389 VanDerWaalsContact O-CG1 3.3Å; V385-I389 WeakPolarHBondContact O-CG1 3.28Å; V385-I389 PolarHBondContact O-N 2.91Å; V386-I389 PolarHBondContact O-N 3.36Å; E387-I389 PolarHBondContact O-N 2.93Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 3.06Å; I389-A392 PolarHBondContact O-N 3.39Å; I389-S393 PolarHBondContact O-N 3.3Å
390K96.2Very high97.1Very high24 Ų2443.6 Ų43.610%0.10423%0.23CC..Hα-helixtrans-61.1-44.1175.8-69.3171-170.1164.90111L181 N182 V386 E387 S393 L394L181-K390 HydrophobicContact CD2-CG 3.92Å; N182-K390 PolarHBondContact OD1-NZ 3.33Å; V386-K390 HydrophobicContact CG1-CD 4.48Å; V386-K390 WeakPolarHBondContact O-CG 3.4Å; V386-K390 PolarHBondContact O-N 3.15Å; V386-K390 VanDerWaalsContact O-N 3.13Å; E387-K390 PolarHBondContact O-N 3.42Å; E387-K390 IonicContact OE1-NZ 3.74Å; E387-K390 PolarHBondContact OE1-NZ 3.05Å; K390-S393 PolarHBondContact O-N 2.99Å; K390-L394 WeakPolarHBondContact O-CG 3.33Å; K390-L394 PolarHBondContact O-N 2.98Å; K390-L394 VanDerWaalsContact O-N 3.08Å
391L97Very high97.2Very high74 Ų7444.4 Ų44.439%0.38723%0.234SC..Hα-helixtrans-63.8-43.8176.1-72175.1000112E387 A388 I389 S393 L394 R395 V399E387-L391 WeakPolarHBondContact O-CG 3.29Å; E387-L391 PolarHBondContact O-N 3.32Å; A388-L391 PolarHBondContact O-N 2.77Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 3.06Å; L391-S393 VanDerWaalsContact C-N 3.31Å; L391-S393 PolarHBondContact O-N 3.18Å; L391-L394 PolarHBondContact O-N 2.51Å; L391-L394 VanDerWaalsContact O-N 3.15Å; L391-R395 WeakPolarHBondContact O-CG 3.18Å; L391-R395 PolarHBondContact O-N 2.91Å; L391-V399 HydrophobicContact CB-CG1 4.38Å; L391-V399 HydrophobicContact CB-CG2 4.35Å
392A98Very high97Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-59.2-43.5176.500000111.4A388 I389 L394 R395 G396 E397 V399A388-A392 WeakPolarHBondContact O-CB 3.4Å; A388-A392 PolarHBondContact O-N 2.8Å; I389-A392 PolarHBondContact O-N 3.39Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.92Å; A392-R395 PolarHBondContact O-N 3.18Å; A392-G396 WeakPolarHBondContact O-CA 3.47Å; A392-G396 PolarHBondContact O-N 3Å; A392-E397 WeakPolarHBondContact CA-O 3.49Å; A392-E397 WeakPolarHBondContact CB-O 3.37Å; A392-V399 HydrophobicContact CB-CB 4.1Å; A392-V399 HydrophobicContact CB-CG2 3.76Å
393S97.4Very high96.9Very high34 Ų3454.8 Ų54.824%0.23828%0.284CS..Hα-helixtrans-65.2-33.3176.2-178.20000113.6G205 V207 I389 K390 L391G205-S393 WeakPolarHBondContact O-CA 3.49Å; G205-S393 WeakPolarHBondContact O-CB 3.24Å; G205-S393 PolarHBondContact O-N 3.17Å; V207-S393 PolarHBondContact N-OG 3.38Å; I389-S393 PolarHBondContact O-N 3.3Å; K390-S393 PolarHBondContact O-N 2.99Å; L391-S393 VanDerWaalsContact C-N 3.31Å; L391-S393 PolarHBondContact O-N 3.18Å
394L96.3Very high96.5Very high145 Ų14556 Ų5676%0.75929%0.293SS*.Hα-helixtrans-75.1-36178.3-73.6170.3000112.1K390 L391 A392K390-L394 WeakPolarHBondContact O-CG 3.33Å; K390-L394 PolarHBondContact O-N 2.98Å; K390-L394 VanDerWaalsContact O-N 3.08Å; L391-L394 PolarHBondContact O-N 2.51Å; L391-L394 VanDerWaalsContact O-N 3.15Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.92Å
395R96.7Very high95.2Very high156 Ų15661.7 Ų61.759%0.58933%0.327SS*.Hα-helixtrans-90.4-23.7-176.8-64.1-174.6-172.8177.21.8113.7L391 A392 E397L391-R395 WeakPolarHBondContact O-CG 3.18Å; L391-R395 PolarHBondContact O-N 2.91Å; A392-R395 PolarHBondContact O-N 3.18Å; R395-E397 VanDerWaalsContact C-N 3.32Å; R395-E397 HydrophobicContact CB-CG 3.74Å; R395-E397 WeakPolarHBondContact CD-OE1 3.41Å; R395-E397 IonicContact NH1-OE1 3.36Å; R395-E397 PolarHBondContact NH1-OE1 3.34Å
396G96.1Very high93.4Very high72 Ų7265.8 Ų65.874%0.74235%0.346SS*.THydrogen-bonded Turntrans70.427.4-173.900000113.3A392A392-G396 WeakPolarHBondContact O-CA 3.47Å; A392-G396 PolarHBondContact O-N 3Å
397E96.1Very high90.9Very high101 Ų10170 Ų7047%0.47238%0.375SS..SBendtrans-136.3166.5-177.773.6-174.1178.600111.4A392 R395 V399A392-E397 WeakPolarHBondContact CA-O 3.49Å; A392-E397 WeakPolarHBondContact CB-O 3.37Å; R395-E397 VanDerWaalsContact C-N 3.32Å; R395-E397 HydrophobicContact CB-CG 3.74Å; R395-E397 WeakPolarHBondContact CD-OE1 3.41Å; R395-E397 IonicContact NH1-OE1 3.36Å; R395-E397 PolarHBondContact NH1-OE1 3.34Å; E397-V399 HydrophobicContact CG-CG2 4.46Å
398D96.5Very high88.5Confident67 Ų6775.2 Ų75.236%0.35840%0.404SS..  trans-66.8130171.3-78.223.4000110.6Q204 R249Q204-D398 WeakPolarHBondContact CB-OD1 3.48Å; R249-D398 IonicContact CZ-OD2 3.56Å; R249-D398 VanDerWaalsContact CZ-OD2 3.31Å; R249-D398 IonicContact NE-OD2 3.32Å; R249-D398 PolarHBondContact NE-OD2 2.85Å; R249-D398 IonicContact NH2-OD2 2.92Å; R249-D398 PolarHBondContact NH2-OD2 2.7Å
399V98.2Very high85.8Confident14 Ų1481.7 Ų81.79%0.08544%0.438CS..EExtended strand (participates in β ladder)trans-118128179.8176.10000109.9C202 V203 A388 L391 A392 E397C202-V399 WeakPolarHBondContact CA-O 3.1Å; C202-V399 PolarHBondContact SG-O 2.98Å; V203-V399 PolarHBondContact N-O 3.38Å; V203-V399 PolarHBondContact O-N 3.21Å; A388-V399 HydrophobicContact CB-CG1 4.03Å; L391-V399 HydrophobicContact CB-CG1 4.38Å; L391-V399 HydrophobicContact CB-CG2 4.35Å; A392-V399 HydrophobicContact CB-CB 4.1Å; A392-V399 HydrophobicContact CB-CG2 3.76Å; E397-V399 HydrophobicContact CG-CG2 4.46Å
400H97.7Very high82.7Confident127 Ų12785.2 Ų85.259%0.58848%0.475SS*.EExtended strand (participates in β ladder)trans-71.2140.5172.6-80.1-76.9000111V201 E402V201-H400 PolarHBondContact O-ND1 3.02Å; H400-E402 PolarHBondContact O-N 3.09Å
401I97.4Very high79.7Confident23 Ų2393.8 Ų93.812%0.11852%0.521CS..  trans-80.4107.8177.8-62.1157.5000108.2A200 V201 V203 Y381 A384 V385 A388A200-I401 HydrophobicContact CB-CD1 3.88Å; A200-I401 WeakPolarHBondContact O-CD1 3.23Å; V201-I401 PolarHBondContact O-N 2.99Å; V203-I401 HydrophobicContact CG1-CD1 3.92Å; V203-I401 HydrophobicContact CG1-CG1 4.23Å; V203-I401 HydrophobicContact CG2-CG1 4.46Å; Y381-I401 HydrophobicContact CE2-CG2 4.02Å; A384-I401 HydrophobicContact CB-CG2 4Å; V385-I401 HydrophobicContact CG2-CD1 3.81Å; V385-I401 HydrophobicContact CG2-CG1 4.32Å; V385-I401 HydrophobicContact CG2-CG2 4.2Å; A388-I401 HydrophobicContact CB-CG1 4.16Å
402E94.2Very high78.9Confident158 Ų15894.8 Ų94.874%0.73853%0.528SS*.PPolyproline II helixtrans-94122.8177.5-66.9-179.7-178.900110.5H400H400-E402 PolarHBondContact O-N 3.09Å
403M94.6Very high77.9Confident73 Ų7399.8 Ų99.836%0.3656%0.555SS.*PPolyproline II helixtrans-88.4134.5172.1-65.9-60.4-68.100109.4L380 Y381 A384 V405L380-M403 HydrophobicContact CD2-CE 3.95Å; L380-M403 HydrophobicContact CG-CE 3.74Å; Y381-M403 HydrophobicContact CD2-CE 4.41Å; Y381-M403 HydrophobicContact CD2-SD 3.7Å; A384-M403 HydrophobicContact CB-SD 3.76Å; M403-V405 PolarHBondContact O-N 2.81Å
404P88.6Confident76.8Confident42 Ų42103.4 Ų103.427%0.27357%0.573SS.*PPolyproline II helixtrans-63.8134.2175.226-31.4000109.7V110 L380 Q406V110-P404 HydrophobicContact CG2-CB 3.99Å; V110-P404 HydrophobicContact CG2-CG 3.47Å; V110-P404 VanDerWaalsContact CG2-CG 3.47Å; L380-P404 HydrophobicContact CD1-CG 3.79Å; L380-P404 HydrophobicContact CD2-CG 4.32Å; L380-P404 HydrophobicContact CG-CG 4.45Å; P404-Q406 PolarHBondContact O-N 3.11Å
405V71.9Confident75.6Confident125 Ų125101 Ų10176%0.75856%0.562SS**PPolyproline II helixtrans-62.8124.8168.5-175.80000107.1M403 C407M403-V405 PolarHBondContact O-N 2.81Å; V405-C407 VanDerWaalsContact C-N 3.3Å; V405-C407 PolarHBondContact O-N 2.89Å
406Q59.2Low74.3Confident85 Ų8597.6 Ų97.640%0.39756%0.56SS.*  trans-65.297.2168.3-71.5-174.1-52.500106.8P404 D408P404-Q406 PolarHBondContact O-N 3.11Å; Q406-D408 PolarHBondContact O-N 2.95Å
407C45.3Very low72.9Confident89 Ų8999.3 Ų99.360%0.60155%0.548SS*.  trans-68.5122.4164-66.70000106.6V405 D409V405-C407 VanDerWaalsContact C-N 3.3Å; V405-C407 PolarHBondContact O-N 2.89Å; C407-D409 PolarHBondContact O-N 3.09Å
408D45.6Very low71.2Confident164 Ų16499.1 Ų99.188%0.87755%0.554SS**  trans-66.251.8167.1-79.5-31.1000110.6Q406 G410Q406-D408 PolarHBondContact O-N 2.95Å; D408-G410 VanDerWaalsContact C-N 3.31Å; D408-G410 PolarHBondContact O-N 2.88Å
409D40.5Very low69.3Low142 Ų142101.6 Ų101.676%0.75957%0.569SS**  trans-75.993.6169.6-71.4-22.2000106.4C407 L411C407-D409 PolarHBondContact O-N 3.09Å; D409-L411 PolarHBondContact O-N 3.25Å
410G33.5Very low66.9Low75 Ų75108.9 Ų108.977%0.77361%0.609SS**  trans-43124.4-179.100000112.6D408D408-G410 VanDerWaalsContact C-N 3.31Å; D408-G410 PolarHBondContact O-N 2.88Å
411L33.8Very low64.1Low204 Ų204107.3 Ų107.3100%1.06861%0.611SS**  trans-67.40164.6-106.6156000110.9D409D409-L411 PolarHBondContact O-N 3.25Å

Retrieved 411 of 411 residues in 221.4 ms (Link to these results)

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