G4LX07_SCHMA Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon AlphaSync

AlphaFold DB , UniProt , Accession G4LX07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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
1M51.6Low75.1Confident188 Ų18892.1 Ų92.193%0.92644%0.442SS*.  0-50.50-162.3175.2-97.600112.6N3 Y4 L5M1-N3 PolarHBondContact O-N 3.28Å; M1-Y4 PolarHBondContact O-N 3.25Å; M1-L5 HydrophobicContact CG-CD1 4.17Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2A69.1Low75.7Confident62 Ų6285.5 Ų85.551%0.51241%0.412SS..Hα-helixtrans-57.5-42.1-178.100000115L5 K6A2-L5 PolarHBondContact O-N 3.08Å; A2-K6 VanDerWaalsContact O-CG 3.32Å; A2-K6 WeakPolarHBondContact O-CG 3.39Å; A2-K6 PolarHBondContact O-N 3.42Å; A2-K6 VanDerWaalsContact O-N 3.12Å
3N73.9Confident76.4Confident91 Ų9180.3 Ų80.349%0.48739%0.387SS..Hα-helixtrans-67.1-38.2178.7-71.5-6.6000113.1M1 K6 Q7M1-N3 PolarHBondContact O-N 3.28Å; N3-K6 PolarHBondContact O-N 3.02Å; N3-Q7 WeakPolarHBondContact O-CG 3.4Å; N3-Q7 PolarHBondContact O-N 2.76Å; N3-Q7 VanDerWaalsContact O-N 3.11Å
4Y77Confident77.1Confident180 Ų18081.4 Ų81.471%0.70640%0.401SS*.Hα-helixtrans-64.7-40.6175.5-68.8-71.5000111.9M1 Q7 Y8M1-Y4 PolarHBondContact O-N 3.25Å; Y4-Q7 PolarHBondContact O-N 3.03Å; Y4-Y8 VanDerWaalsContact O-CB 3.24Å; Y4-Y8 WeakPolarHBondContact O-CB 3.15Å; Y4-Y8 PolarHBondContact O-N 3.08Å
5L77Confident77.9Confident81 Ų8183.5 Ų83.542%0.42441%0.407SS..Hα-helixtrans-61.8-43.9175.8-74.4165.6000111.7M1 A2 Y8 F9M1-L5 HydrophobicContact CG-CD1 4.17Å; M1-L5 PolarHBondContact O-N 3.44Å; M1-L5 VanDerWaalsContact O-N 3.14Å; A2-L5 PolarHBondContact O-N 3.08Å; L5-Y8 PolarHBondContact O-N 3.45Å; L5-F9 HydrophobicContact CB-CD2 4.5Å; L5-F9 HydrophobicContact CD2-CE2 4.22Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.33Å
6K78.2Confident78.9Confident22 Ų2278.4 Ų78.410%0.09638%0.382CS..Hα-helixtrans-58-51177.1-71.9168.9-172.5-169.50112.1A2 N3 G10 M60 N61 Q250A2-K6 VanDerWaalsContact O-CG 3.32Å; A2-K6 WeakPolarHBondContact O-CG 3.39Å; A2-K6 PolarHBondContact O-N 3.42Å; A2-K6 VanDerWaalsContact O-N 3.12Å; N3-K6 PolarHBondContact O-N 3.02Å; K6-G10 PolarHBondContact O-N 3.42Å; K6-M60 WeakPolarHBondContact CE-O 3.48Å; K6-M60 HydrophobicContact CG-CB 3.87Å; K6-M60 HydrophobicContact CG-SD 4.32Å; K6-M60 PolarHBondContact NZ-O 3.25Å; K6-M60 VanDerWaalsContact NZ-O 3.14Å; K6-N61 WeakPolarHBondContact CD-OD1 3.44Å; K6-Q250 VanDerWaalsContact NZ-CD 3.34Å; K6-Q250 VanDerWaalsContact NZ-CG 3.33Å
7Q79.9Confident79.7Confident64 Ų6475.1 Ų75.130%0.29937%0.368SS..Hα-helixtrans-62.2-47.5178.9-70.9177.7200110.7N3 Y4 F9 G10 F11 L247N3-Q7 WeakPolarHBondContact O-CG 3.4Å; N3-Q7 PolarHBondContact O-N 2.76Å; N3-Q7 VanDerWaalsContact O-N 3.11Å; Y4-Q7 PolarHBondContact O-N 3.03Å; Q7-F9 PolarHBondContact O-N 3.41Å; Q7-G10 PolarHBondContact O-N 2.94Å; Q7-F11 HydrophobicContact CB-CD2 4.25Å; Q7-F11 HydrophobicContact CB-CE2 4.03Å; Q7-F11 WeakPolarHBondContact O-CD2 3.3Å; Q7-F11 WeakPolarHBondContact O-CG 3.45Å; Q7-F11 PolarHBondContact O-N 3.4Å; Q7-L247 HydrophobicContact CG-CB 4.47Å; Q7-L247 WeakPolarHBondContact CG-O 3.02Å
8Y80.4Confident80.5Confident135 Ų13571.1 Ų71.153%0.52935%0.349SS..Hα-helixtrans-53.2-58.7176.9-179.5-94.6000111.1Y4 L5 G10 F11 T12Y4-Y8 VanDerWaalsContact O-CB 3.24Å; Y4-Y8 WeakPolarHBondContact O-CB 3.15Å; Y4-Y8 PolarHBondContact O-N 3.08Å; L5-Y8 PolarHBondContact O-N 3.45Å; Y8-G10 VanDerWaalsContact C-N 3.29Å; Y8-G10 PolarHBondContact O-N 3.41Å; Y8-F11 PolarHBondContact O-N 2.9Å; Y8-T12 HydrophobicContact CD1-CG2 4.24Å; Y8-T12 HydrophobicContact CD2-CG2 4.19Å; Y8-T12 HydrophobicContact CE1-CG2 3.97Å; Y8-T12 HydrophobicContact CE2-CG2 3.92Å; Y8-T12 HydrophobicContact CG-CG2 4.34Å; Y8-T12 WeakPolarHBondContact O-CB 3.29Å; Y8-T12 VanDerWaalsContact O-CG2 3.27Å; Y8-T12 WeakPolarHBondContact O-CG2 3.23Å; Y8-T12 PolarHBondContact O-N 2.97Å; Y8-T12 PolarHBondContact O-OG1 2.85Å
9F80.2Confident81.3Confident45 Ų4567.5 Ų67.520%0.19733%0.331CS..Hα-helixtrans-60.5-37.8-179.5-77.9-61.2000113.2L5 Q7 T12 I13 I56 M60 Y386L5-F9 HydrophobicContact CB-CD2 4.5Å; L5-F9 HydrophobicContact CD2-CE2 4.22Å; L5-F9 WeakPolarHBondContact O-CD2 3.32Å; L5-F9 PolarHBondContact O-N 3.33Å; Q7-F9 PolarHBondContact O-N 3.41Å; F9-T12 WeakPolarHBondContact CA-OG1 3.4Å; F9-T12 PolarHBondContact O-N 2.85Å; F9-T12 PolarHBondContact O-OG1 3.34Å; F9-I13 PolarHBondContact O-N 2.93Å; F9-I13 VanDerWaalsContact O-N 3.16Å; F9-I56 HydrophobicContact CB-CD1 4.18Å; F9-I56 HydrophobicContact CB-CG1 4.03Å; F9-I56 HydrophobicContact CB-CG2 4.22Å; F9-M60 HydrophobicContact CB-CE 3.79Å; F9-M60 HydrophobicContact CD2-CE 3.57Å; F9-M60 HydrophobicContact CD2-SD 4.02Å; F9-M60 HydrophobicContact CE2-CE 4.37Å; F9-M60 HydrophobicContact CG-CE 3.83Å; F9-Y386 HydrophobicContact CD1-CD2 4.19Å; F9-Y386 HydrophobicContact CD1-CE1 4.05Å; F9-Y386 AromaticContact CD1-CE2 3.59Å; F9-Y386 HydrophobicContact CD1-CE2 3.59Å; F9-Y386 AromaticContact CD1-CZ 3.52Å; F9-Y386 HydrophobicContact CE1-CD1 4.41Å; F9-Y386 HydrophobicContact CE1-CD2 4.02Å; F9-Y386 HydrophobicContact CE1-CE1 4.31Å; F9-Y386 AromaticContact CE1-CE2 3.91Å; F9-Y386 HydrophobicContact CE1-CE2 3.91Å; F9-Y386 HydrophobicContact CE1-CG 4.28Å; F9-Y386 PolarHBondContact O-OH 2.86Å; F9-Y386 VanDerWaalsContact O-OH 3.05Å
10G78.7Confident82Confident8 Ų864.3 Ų64.38%0.08232%0.315CS..Hα-helixtrans-63.8-41.417700000113.6K6 Q7 Y8 I13K6-G10 PolarHBondContact O-N 3.42Å; Q7-G10 PolarHBondContact O-N 2.94Å; Y8-G10 VanDerWaalsContact C-N 3.29Å; Y8-G10 PolarHBondContact O-N 3.41Å; G10-I13 WeakPolarHBondContact O-CG2 3.23Å
11F79.8Confident82.6Confident137 Ų13762.1 Ų62.160%0.60131%0.305SS*.Hα-helixtrans-77.6-30.7176.9-67-57.1000112.4Q7 Y8 L247Q7-F11 HydrophobicContact CB-CD2 4.25Å; Q7-F11 HydrophobicContact CB-CE2 4.03Å; Q7-F11 WeakPolarHBondContact O-CD2 3.3Å; Q7-F11 WeakPolarHBondContact O-CG 3.45Å; Q7-F11 PolarHBondContact O-N 3.4Å; Y8-F11 PolarHBondContact O-N 2.9Å; F11-L247 HydrophobicContact CE1-CD1 4.38Å; F11-L247 HydrophobicContact CZ-CD1 4.43Å
12T82.8Confident84.7Confident13 Ų1356.7 Ų56.78%0.0828%0.278CS..Hα-helixtrans-83.2-10.6-177.557.40000114.5Y8 F9 V14 F15 Y386Y8-T12 HydrophobicContact CD1-CG2 4.24Å; Y8-T12 HydrophobicContact CD2-CG2 4.19Å; Y8-T12 HydrophobicContact CE1-CG2 3.97Å; Y8-T12 HydrophobicContact CE2-CG2 3.92Å; Y8-T12 HydrophobicContact CG-CG2 4.34Å; Y8-T12 WeakPolarHBondContact O-CB 3.29Å; Y8-T12 VanDerWaalsContact O-CG2 3.27Å; Y8-T12 WeakPolarHBondContact O-CG2 3.23Å; Y8-T12 PolarHBondContact O-N 2.97Å; Y8-T12 PolarHBondContact O-OG1 2.85Å; F9-T12 WeakPolarHBondContact CA-OG1 3.4Å; F9-T12 PolarHBondContact O-N 2.85Å; F9-T12 PolarHBondContact O-OG1 3.34Å; T12-V14 PolarHBondContact O-N 3.45Å; T12-V14 VanDerWaalsContact O-N 3.12Å; T12-F15 HydrophobicContact CG2-CD2 3.95Å; T12-F15 HydrophobicContact CG2-CE2 4.16Å; T12-F15 WeakPolarHBondContact O-CA 3.29Å; T12-F15 VanDerWaalsContact O-CB 3.29Å; T12-F15 WeakPolarHBondContact O-CB 3.38Å; T12-F15 PolarHBondContact O-N 2.88Å; T12-Y386 WeakPolarHBondContact OG1-CE1 3.12Å; T12-Y386 PolarHBondContact OG1-OH 3.48Å
13I84.8Confident86Confident18 Ų1856.3 Ų56.39%0.09227%0.267CS..G310 helixtrans-58.2-30.1-179.9-158.5178000112.7F9 G10 F15 L16 F53 I56 F57 Y386F9-I13 PolarHBondContact O-N 2.93Å; F9-I13 VanDerWaalsContact O-N 3.16Å; G10-I13 WeakPolarHBondContact O-CG2 3.23Å; I13-F15 PolarHBondContact O-N 2.81Å; I13-L16 HydrophobicContact CG1-CD1 4.11Å; I13-L16 WeakPolarHBondContact O-CB 3.36Å; I13-L16 PolarHBondContact O-N 2.93Å; I13-F53 HydrophobicContact CD1-CB 4.34Å; I13-F53 HydrophobicContact CD1-CD2 3.26Å; I13-F53 HydrophobicContact CD1-CE2 3.79Å; I13-F53 HydrophobicContact CD1-CG 4.13Å; I13-I56 HydrophobicContact CB-CD1 4.13Å; I13-I56 HydrophobicContact CD1-CD1 3.83Å; I13-I56 HydrophobicContact CG1-CD1 3.96Å; I13-F57 HydrophobicContact CD1-CE2 4.3Å; I13-Y386 PolarHBondContact N-OH 2.85Å
14V86.3Confident87Confident95 Ų9553.1 Ų53.158%0.57625%0.248SC*.G310 helixtrans-63.9-29.6175.7-179.80000111.2T12 L16 T17T12-V14 PolarHBondContact O-N 3.45Å; T12-V14 VanDerWaalsContact O-N 3.12Å; V14-L16 PolarHBondContact O-N 3.07Å; V14-T17 WeakPolarHBondContact O-CB 3.18Å; V14-T17 WeakPolarHBondContact O-CG2 3.28Å; V14-T17 PolarHBondContact O-N 2.91Å; V14-T17 VanDerWaalsContact O-N 3.15Å; V14-T17 PolarHBondContact O-OG1 3.31Å
15F89.3Confident87.9Confident114 Ų11447.9 Ų47.950%0.523%0.232SC..G310 helixtrans-72.2-9.5175.1-58.2-56.1000113.5T12 I13 T17 P18 T389 Y404T12-F15 HydrophobicContact CG2-CD2 3.95Å; T12-F15 HydrophobicContact CG2-CE2 4.16Å; T12-F15 WeakPolarHBondContact O-CA 3.29Å; T12-F15 VanDerWaalsContact O-CB 3.29Å; T12-F15 WeakPolarHBondContact O-CB 3.38Å; T12-F15 PolarHBondContact O-N 2.88Å; I13-F15 PolarHBondContact O-N 2.81Å; F15-T17 PolarHBondContact O-N 2.97Å; F15-P18 WeakPolarHBondContact O-CD 3.28Å; F15-T389 WeakPolarHBondContact O-CG2 3.48Å; F15-Y404 WeakPolarHBondContact CA-OH 3.32Å; F15-Y404 WeakPolarHBondContact CB-OH 3.31Å; F15-Y404 PolarHBondContact O-OH 3.41Å
16L93.2Very high88.8Confident1 Ų146.8 Ų46.81%0.00523%0.231CC..G310 helixtrans-77.9-14.9171.4-54.4-178000111.8I13 V14 T19 I20 T52 F385 Y386 T389I13-L16 HydrophobicContact CG1-CD1 4.11Å; I13-L16 WeakPolarHBondContact O-CB 3.36Å; I13-L16 PolarHBondContact O-N 2.93Å; V14-L16 PolarHBondContact O-N 3.07Å; L16-T19 WeakPolarHBondContact O-CB 3.16Å; L16-T19 PolarHBondContact O-N 3.33Å; L16-T19 VanDerWaalsContact O-N 3.09Å; L16-I20 HydrophobicContact CB-CD1 4.41Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 2.77Å; L16-T52 HydrophobicContact CD1-CG2 3.79Å; L16-F385 HydrophobicContact CD1-CB 4.04Å; L16-F385 HydrophobicContact CD2-CB 4.2Å; L16-Y386 HydrophobicContact CD1-CD2 4.38Å; L16-Y386 HydrophobicContact CD1-CE2 3.91Å; L16-Y386 HydrophobicContact CD2-CD1 3.99Å; L16-Y386 HydrophobicContact CD2-CD2 4.41Å; L16-Y386 HydrophobicContact CD2-CE1 4Å; L16-Y386 HydrophobicContact CD2-CE2 4.43Å; L16-Y386 HydrophobicContact CD2-CG 4.19Å; L16-T389 HydrophobicContact CD2-CG2 4.38Å; L16-T389 WeakPolarHBondContact CD2-OG1 3.42Å
17T92.6Very high89.7Confident22 Ų2246.8 Ų46.814%0.13523%0.232CC..Hα-helixtrans-61.5-42.9-17257.50000114.5V14 F15 T19 I20 L21V14-T17 WeakPolarHBondContact O-CB 3.18Å; V14-T17 WeakPolarHBondContact O-CG2 3.28Å; V14-T17 PolarHBondContact O-N 2.91Å; V14-T17 VanDerWaalsContact O-N 3.15Å; V14-T17 PolarHBondContact O-OG1 3.31Å; F15-T17 PolarHBondContact O-N 2.97Å; T17-T19 VanDerWaalsContact C-N 3.27Å; T17-T19 PolarHBondContact O-N 2.87Å; T17-I20 PolarHBondContact O-N 2.84Å; T17-L21 PolarHBondContact O-N 2.76Å
18P95.1Very high90.4Very high4 Ų446.9 Ų46.93%0.02623%0.23CC..Hα-helixtrans-66.4-32.2175.5-21.237.1000111.9F15 L21 M22 I122 W392 Y404 A407F15-P18 WeakPolarHBondContact O-CD 3.28Å; P18-L21 PolarHBondContact O-N 2.91Å; P18-M22 WeakPolarHBondContact O-CG 3.22Å; P18-M22 PolarHBondContact O-N 3.14Å; P18-I122 HydrophobicContact CB-CD1 4.31Å; P18-I122 HydrophobicContact CG-CD1 3.88Å; P18-W392 HydrophobicContact CB-CH2 4.15Å; P18-W392 HydrophobicContact CB-CZ3 4.07Å; P18-Y404 HydrophobicContact CB-CD2 4.08Å; P18-Y404 HydrophobicContact CB-CE2 3.72Å; P18-Y404 WeakPolarHBondContact CD-OH 3.49Å; P18-Y404 HydrophobicContact CG-CD2 4.3Å; P18-Y404 HydrophobicContact CG-CE1 4.39Å; P18-Y404 HydrophobicContact CG-CE2 3.57Å; P18-A407 HydrophobicContact CB-CB 4.47Å
19T95.3Very high91.2Very high2 Ų245.6 Ų45.61%0.01223%0.231CC..Hα-helixtrans-65.2-44176.2-60.70000111L16 T17 L21 M22 L23 F385 I388 T389L16-T19 WeakPolarHBondContact O-CB 3.16Å; L16-T19 PolarHBondContact O-N 3.33Å; L16-T19 VanDerWaalsContact O-N 3.09Å; T17-T19 VanDerWaalsContact C-N 3.27Å; T17-T19 PolarHBondContact O-N 2.87Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 2.88Å; T19-M22 PolarHBondContact O-N 3.26Å; T19-L23 HydrophobicContact CG2-CD1 4.06Å; T19-L23 HydrophobicContact CG2-CG 4.45Å; T19-L23 WeakPolarHBondContact O-CB 3.48Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 3.31Å; T19-F385 HydrophobicContact CG2-CD1 4.27Å; T19-I388 HydrophobicContact CG2-CB 4.14Å; T19-I388 HydrophobicContact CG2-CG2 3.55Å; T19-T389 WeakPolarHBondContact CB-OG1 3.44Å; T19-T389 PolarHBondContact OG1-OG1 3.3Å
20I94.2Very high92Very high3 Ų350.1 Ų50.12%0.01526%0.257CS..Hα-helixtrans-60.1-44.1175.1-63.1160.1000110.7L16 T17 M22 L23 W24 L45 F49 Y126 F385L16-I20 HydrophobicContact CB-CD1 4.41Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 2.77Å; T17-I20 PolarHBondContact O-N 2.84Å; I20-M22 PolarHBondContact O-N 3.35Å; I20-L23 PolarHBondContact O-N 3.3Å; I20-W24 VanDerWaalsContact O-CB 3.31Å; I20-W24 WeakPolarHBondContact O-CB 3.3Å; I20-W24 PolarHBondContact O-N 3.44Å; I20-L45 HydrophobicContact CG2-CD2 4.45Å; I20-F49 HydrophobicContact CD1-CD2 3.16Å; I20-F49 HydrophobicContact CD1-CE2 3.28Å; I20-F49 HydrophobicContact CD1-CG 3.85Å; I20-F49 HydrophobicContact CD1-CZ 4.06Å; I20-F49 HydrophobicContact CG1-CD2 4.07Å; I20-Y126 HydrophobicContact CG2-CD2 4.25Å; I20-Y126 HydrophobicContact CG2-CE2 4.27Å; I20-Y126 HydrophobicContact CG2-CG 4.46Å; I20-F385 HydrophobicContact CG1-CD1 4.32Å; I20-F385 HydrophobicContact CG1-CE1 3.67Å; I20-F385 HydrophobicContact CG1-CZ 4.36Å
21L95.1Very high92.8Very high20 Ų2050.1 Ų50.111%0.10526%0.255CS..Hα-helixtrans-60.7-45.3178.4-178.764.4000112.1T17 P18 T19 W24 L25 I122 F125 G411T17-L21 PolarHBondContact O-N 2.76Å; P18-L21 PolarHBondContact O-N 2.91Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 2.88Å; L21-W24 HydrophobicContact CD1-CE3 4.09Å; L21-W24 HydrophobicContact CD1-CZ3 4.49Å; L21-W24 PolarHBondContact O-N 3.42Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 PolarHBondContact O-N 3.36Å; L21-I122 HydrophobicContact CB-CG2 3.72Å; L21-I122 HydrophobicContact CD1-CG2 4.36Å; L21-I122 HydrophobicContact CD2-CG1 4.41Å; L21-I122 HydrophobicContact CD2-CG2 4.13Å; L21-I122 HydrophobicContact CG-CG2 4.29Å; L21-F125 HydrophobicContact CD1-CD1 4.04Å; L21-F125 HydrophobicContact CD1-CE1 4.01Å; L21-G411 VanDerWaalsContact CD2-CA 3.41Å
22M95.5Very high93.5Very high74 Ų7449.4 Ų49.437%0.36526%0.257SS..Hα-helixtrans-66.5-42.6178.8-69.4-52.6-62.900112P18 T19 I20 W24 L25 S26 W392 A407P18-M22 WeakPolarHBondContact O-CG 3.22Å; P18-M22 PolarHBondContact O-N 3.14Å; T19-M22 PolarHBondContact O-N 3.26Å; I20-M22 PolarHBondContact O-N 3.35Å; M22-W24 VanDerWaalsContact C-N 3.33Å; M22-W24 PolarHBondContact O-N 3.39Å; M22-L25 HydrophobicContact CE-CD2 4.46Å; M22-L25 PolarHBondContact O-N 2.97Å; M22-S26 PolarHBondContact O-N 2.88Å; M22-S26 PolarHBondContact O-OG 2.86Å; M22-S26 VanDerWaalsContact O-OG 3.09Å; M22-W392 HydrophobicContact CB-CH2 4.45Å; M22-W392 HydrophobicContact CB-CZ3 4.44Å; M22-W392 HydrophobicContact CG-CH2 3.4Å; M22-W392 VanDerWaalsContact CG-CH2 3.4Å; M22-W392 HydrophobicContact CG-CZ2 4.23Å; M22-W392 HydrophobicContact CG-CZ3 3.82Å; M22-A407 HydrophobicContact SD-CB 4.42Å
23L95.9Very high93.9Very high54 Ų5457.8 Ų57.828%0.28330%0.295SS..Hα-helixtrans-61.9-42.1174.7-70.4173.6000111.6T19 I20 S26 I27 L45 F385 I388T19-L23 HydrophobicContact CG2-CD1 4.06Å; T19-L23 HydrophobicContact CG2-CG 4.45Å; T19-L23 WeakPolarHBondContact O-CB 3.48Å; T19-L23 VanDerWaalsContact O-CG 3.3Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 3.31Å; I20-L23 PolarHBondContact O-N 3.3Å; L23-S26 PolarHBondContact O-N 3.11Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.33Å; L23-L45 HydrophobicContact CB-CD1 3.91Å; L23-L45 HydrophobicContact CB-CD2 4.28Å; L23-L45 HydrophobicContact CD1-CD1 3.98Å; L23-F385 HydrophobicContact CD1-CD1 4.43Å; L23-F385 HydrophobicContact CD1-CE1 3.81Å; L23-F385 HydrophobicContact CD1-CZ 4.45Å; L23-I388 HydrophobicContact CD1-CD1 4.5Å
24W95.7Very high94.3Very high23 Ų2359.2 Ų59.29%0.08731%0.306CS..Hα-helixtrans-61.6-44.3174.217183.6000111.7I20 L21 M22 S26 I27 R28 Y38 L45 F125 Y126 Q129I20-W24 VanDerWaalsContact O-CB 3.31Å; I20-W24 WeakPolarHBondContact O-CB 3.3Å; I20-W24 PolarHBondContact O-N 3.44Å; L21-W24 HydrophobicContact CD1-CE3 4.09Å; L21-W24 HydrophobicContact CD1-CZ3 4.49Å; L21-W24 PolarHBondContact O-N 3.42Å; M22-W24 VanDerWaalsContact C-N 3.33Å; M22-W24 PolarHBondContact O-N 3.39Å; W24-S26 PolarHBondContact O-N 3.37Å; W24-I27 WeakPolarHBondContact O-CB 3.43Å; W24-I27 PolarHBondContact O-N 2.94Å; W24-R28 HydrophobicContact CH2-CG 4.24Å; W24-R28 HydrophobicContact CZ2-CG 3.75Å; W24-R28 PolarHBondContact O-N 2.89Å; W24-Y38 AromaticContact NE1-CE2 3.77Å; W24-Y38 AromaticContact NE1-CZ 3.86Å; W24-Y38 PolarHBondContact NE1-OH 2.93Å; W24-L45 HydrophobicContact CB-CD2 3.8Å; W24-F125 HydrophobicContact CE3-CE1 4.13Å; W24-F125 AromaticContact CH2-CE1 3.69Å; W24-F125 HydrophobicContact CH2-CE1 3.69Å; W24-F125 AromaticContact CH2-CZ 3.56Å; W24-F125 HydrophobicContact CH2-CZ 3.56Å; W24-F125 HydrophobicContact CZ2-CE1 4.24Å; W24-F125 HydrophobicContact CZ2-CZ 4.21Å; W24-F125 AromaticContact CZ3-CE1 3.62Å; W24-F125 HydrophobicContact CZ3-CE1 3.62Å; W24-F125 AromaticContact CZ3-CZ 3.9Å; W24-F125 HydrophobicContact CZ3-CZ 3.9Å; W24-Y126 HydrophobicContact CB-CD2 4.17Å; W24-Y126 HydrophobicContact CB-CE2 4.03Å; W24-Y126 AromaticContact CD1-CD2 3.93Å; W24-Y126 AromaticContact CD1-CE2 3.63Å; W24-Y126 HydrophobicContact CG-CD2 4.01Å; W24-Y126 AromaticContact CG-CE2 3.98Å; W24-Y126 HydrophobicContact CG-CE2 3.98Å; W24-Q129 HydrophobicContact CH2-CG 4.49Å; W24-Q129 HydrophobicContact CZ2-CB 4.35Å; W24-Q129 HydrophobicContact CZ2-CG 3.74Å
25L95.6Very high94.4Very high71 Ų7159 Ų5937%0.37230%0.299SS..Hα-helixtrans-62.4-43.7177.9-179.661.4000111L21 M22 R28 L29L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 PolarHBondContact O-N 3.36Å; M22-L25 HydrophobicContact CE-CD2 4.46Å; M22-L25 PolarHBondContact O-N 2.97Å; L25-R28 PolarHBondContact O-N 2.97Å; L25-R28 VanDerWaalsContact O-N 3.16Å; L25-L29 HydrophobicContact CD1-CG 4.47Å; L25-L29 HydrophobicContact CG-CD1 4.27Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.46Å
26S96.6Very high94.4Very high57 Ų5761.3 Ų61.340%0.39931%0.312SS..Hα-helixtrans-59.7-45.9174-61.20000111.7M22 L23 W24 R28 L29 L30M22-S26 PolarHBondContact O-N 2.88Å; M22-S26 PolarHBondContact O-OG 2.86Å; M22-S26 VanDerWaalsContact O-OG 3.09Å; L23-S26 PolarHBondContact O-N 3.11Å; W24-S26 PolarHBondContact O-N 3.37Å; S26-R28 VanDerWaalsContact C-N 3.29Å; S26-R28 PolarHBondContact O-N 2.92Å; S26-L29 PolarHBondContact O-N 3.49Å; S26-L30 WeakPolarHBondContact O-CB 3.24Å; S26-L30 WeakPolarHBondContact O-CG 3.38Å; S26-L30 PolarHBondContact O-N 3.37Å
27I96.6Very high94.4Very high22 Ų2263 Ų6311%0.11333%0.326CS..Hα-helixtrans-57.5-45.1174-73.2167.2000110.2L23 W24 L29 L30 T31 Y38 L41 L45L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.38Å; L23-I27 PolarHBondContact O-N 3.33Å; W24-I27 WeakPolarHBondContact O-CB 3.43Å; W24-I27 PolarHBondContact O-N 2.94Å; I27-L29 PolarHBondContact O-N 2.75Å; I27-L30 PolarHBondContact O-N 3.09Å; I27-T31 WeakPolarHBondContact O-CB 3.33Å; I27-T31 WeakPolarHBondContact O-CG2 3.35Å; I27-T31 PolarHBondContact O-N 2.93Å; I27-T31 PolarHBondContact O-OG1 3.37Å; I27-Y38 HydrophobicContact CG2-CD2 3.97Å; I27-Y38 HydrophobicContact CG2-CE2 4.43Å; I27-L41 HydrophobicContact CB-CB 4.49Å; I27-L41 HydrophobicContact CD1-CB 4.12Å; I27-L41 HydrophobicContact CG1-CB 4.11Å; I27-L41 HydrophobicContact CG1-CD1 4.49Å; I27-L41 HydrophobicContact CG2-CB 3.59Å; I27-L41 HydrophobicContact CG2-CD1 4.28Å; I27-L45 HydrophobicContact CD1-CB 3.84Å; I27-L45 HydrophobicContact CD1-CD2 3.93Å; I27-L45 HydrophobicContact CD1-CG 4.38Å
28R95.3Very high94.5Very high67 Ų6762.4 Ų62.425%0.25332%0.321SS..Hα-helixtrans-62.3-43179.5-102.1-49.4-164.3-164.77.8113.2W24 L25 S26 T31 L32 Y38W24-R28 HydrophobicContact CH2-CG 4.24Å; W24-R28 HydrophobicContact CZ2-CG 3.75Å; W24-R28 PolarHBondContact O-N 2.89Å; L25-R28 PolarHBondContact O-N 2.97Å; L25-R28 VanDerWaalsContact O-N 3.16Å; S26-R28 VanDerWaalsContact C-N 3.29Å; S26-R28 PolarHBondContact O-N 2.92Å; R28-T31 PolarHBondContact O-N 2.88Å; R28-L32 PolarHBondContact O-N 3.28Å; R28-Y38 VanDerWaalsContact CD-CD2 3.42Å; R28-Y38 VanDerWaalsContact CD-CE2 3.44Å; R28-Y38 HydrophobicContact CG-CD2 3.97Å; R28-Y38 HydrophobicContact CG-CE2 3.6Å; R28-Y38 VanDerWaalsContact CZ-CD1 3.42Å; R28-Y38 VanDerWaalsContact CZ-CE1 3.48Å
29L96.6Very high94.2Very high107 Ų10765.3 Ų65.356%0.5633%0.332SS*.Hα-helixtrans-65.6-40.6176.4-67.9172.1000112.1L25 S26 I27 T31 L32L25-L29 HydrophobicContact CD1-CG 4.47Å; L25-L29 HydrophobicContact CG-CD1 4.27Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.46Å; S26-L29 PolarHBondContact O-N 3.49Å; I27-L29 PolarHBondContact O-N 2.75Å; L29-T31 PolarHBondContact O-N 3.19Å; L29-L32 WeakPolarHBondContact O-CD1 3.48Å; L29-L32 WeakPolarHBondContact O-CG 3.44Å
30L96.7Very high94Very high141 Ų14172.2 Ų72.274%0.73836%0.358SS*.Hα-helixtrans-68.6-23.8178.4-70.6170.3000113S26 I27S26-L30 WeakPolarHBondContact O-CB 3.24Å; S26-L30 WeakPolarHBondContact O-CG 3.38Å; S26-L30 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.09Å
31T96.1Very high94Very high7 Ų774.7 Ų74.74%0.04337%0.372CS..THydrogen-bonded Turntrans-114.217.1-171.459.10000113.7I27 R28 L29 H33 S34 A37 Y38 L41I27-T31 WeakPolarHBondContact O-CB 3.33Å; I27-T31 WeakPolarHBondContact O-CG2 3.35Å; I27-T31 PolarHBondContact O-N 2.93Å; I27-T31 PolarHBondContact O-OG1 3.37Å; R28-T31 PolarHBondContact O-N 2.88Å; L29-T31 PolarHBondContact O-N 3.19Å; T31-H33 PolarHBondContact O-N 3.04Å; T31-S34 CarbonylContact O-C 3.45Å; T31-S34 PolarHBondContact O-N 2.87Å; T31-A37 HydrophobicContact CG2-CB 3.73Å; T31-Y38 WeakPolarHBondContact OG1-CA 3.44Å; T31-Y38 VanDerWaalsContact OG1-CB 3.28Å; T31-Y38 WeakPolarHBondContact OG1-CB 3.42Å; T31-L41 HydrophobicContact CG2-CD1 3.74Å
32L93.4Very high93.9Very high122 Ų12274 Ų7464%0.63937%0.368SS*.THydrogen-bonded Turntrans-48.8-38.4-178.9-74.2168.6000113.6R28 L29R28-L32 PolarHBondContact O-N 3.28Å; L29-L32 WeakPolarHBondContact O-CD1 3.48Å; L29-L32 WeakPolarHBondContact O-CG 3.44Å
33H92.9Very high93.8Very high190 Ų19071.5 Ų71.588%0.8836%0.355SS*.THydrogen-bonded Turntrans-92.6-2.5-177.1-54.7101.9000114.1T31T31-H33 PolarHBondContact O-N 3.04Å
34S92.7Very high93.7Very high47 Ų4772 Ų7233%0.32936%0.358SS..  trans-143.1101.2-177179.30000111.8T31 Q36 A37 Y38T31-S34 CarbonylContact O-C 3.45Å; T31-S34 PolarHBondContact O-N 2.87Å; S34-Q36 PolarHBondContact O-N 3.33Å; S34-A37 PolarHBondContact O-N 3.12Å; S34-A37 WeakPolarHBondContact OG-CB 3.27Å; S34-A37 PolarHBondContact OG-N 2.74Å; S34-A37 VanDerWaalsContact OG-N 3.1Å; S34-Y38 PolarHBondContact O-N 2.97Å
35Q88.5Confident93.6Very high92 Ų9271.5 Ų71.543%0.4336%0.357SS..Hα-helixtrans-62.5-31.3174.4-174.764-9.500111.8R39Q35-R39 WeakPolarHBondContact O-CB 3.41Å; Q35-R39 WeakPolarHBondContact O-CD 3.48Å; Q35-R39 WeakPolarHBondContact O-CG 2.97Å; Q35-R39 PolarHBondContact O-N 2.84Å
36Q89.2Confident93.5Very high162 Ų16268.2 Ų68.276%0.75734%0.339SS*.Hα-helixtrans-67.2-42.9175.1-172177.310.100111.7S34 R39 Y40S34-Q36 PolarHBondContact O-N 3.33Å; Q36-R39 PolarHBondContact O-N 3.48Å; Q36-Y40 PolarHBondContact O-N 2.77Å
37A93.1Very high93.4Very high37 Ų3766.3 Ų66.331%0.30633%0.326SS..Hα-helixtrans-64.8-42.3175.700000111.3T31 S34 R39 Y40 L41T31-A37 HydrophobicContact CG2-CB 3.73Å; S34-A37 PolarHBondContact O-N 3.12Å; S34-A37 WeakPolarHBondContact OG-CB 3.27Å; S34-A37 PolarHBondContact OG-N 2.74Å; S34-A37 VanDerWaalsContact OG-N 3.1Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 3.49Å; A37-Y40 PolarHBondContact O-N 3.35Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 WeakPolarHBondContact O-CG 3.17Å; A37-L41 PolarHBondContact O-N 3.39Å
38Y93.5Very high93.3Very high9 Ų967.8 Ų67.84%0.03533%0.332CS..Hα-helixtrans-54.3-51173.5169-113.4000111.2W24 I27 R28 T31 S34 Y40 L41 N42W24-Y38 AromaticContact NE1-CE2 3.77Å; W24-Y38 AromaticContact NE1-CZ 3.86Å; W24-Y38 PolarHBondContact NE1-OH 2.93Å; I27-Y38 HydrophobicContact CG2-CD2 3.97Å; I27-Y38 HydrophobicContact CG2-CE2 4.43Å; R28-Y38 VanDerWaalsContact CD-CD2 3.42Å; R28-Y38 VanDerWaalsContact CD-CE2 3.44Å; R28-Y38 HydrophobicContact CG-CD2 3.97Å; R28-Y38 HydrophobicContact CG-CE2 3.6Å; R28-Y38 VanDerWaalsContact CZ-CD1 3.42Å; R28-Y38 VanDerWaalsContact CZ-CE1 3.48Å; T31-Y38 WeakPolarHBondContact OG1-CA 3.44Å; T31-Y38 VanDerWaalsContact OG1-CB 3.28Å; T31-Y38 WeakPolarHBondContact OG1-CB 3.42Å; S34-Y38 PolarHBondContact O-N 2.97Å; Y38-Y40 PolarHBondContact O-N 2.73Å; Y38-L41 PolarHBondContact O-N 3.47Å; Y38-N42 HydrophobicContact CE2-CB 4.16Å; Y38-N42 WeakPolarHBondContact O-CB 3.29Å; Y38-N42 PolarHBondContact O-N 2.93Å
39R89.2Confident93.2Very high65 Ų6565.2 Ų65.225%0.24532%0.323CS..Hα-helixtrans-59.6-49.6-177.7-74.4160.1166.4-151.62.2111.2Q35 Q36 A37 L41 N42 E43 L155Q35-R39 WeakPolarHBondContact O-CB 3.41Å; Q35-R39 WeakPolarHBondContact O-CD 3.48Å; Q35-R39 WeakPolarHBondContact O-CG 2.97Å; Q35-R39 PolarHBondContact O-N 2.84Å; Q36-R39 PolarHBondContact O-N 3.48Å; A37-R39 VanDerWaalsContact C-N 3.32Å; A37-R39 PolarHBondContact O-N 3.49Å; R39-L41 PolarHBondContact O-N 2.92Å; R39-N42 PolarHBondContact O-N 3.41Å; R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.29Å; R39-E43 PolarHBondContact O-N 2.89Å; R39-L155 HydrophobicContact CB-CD2 4.15Å; R39-L155 HydrophobicContact CG-CD2 3.76Å; R39-L155 VanDerWaalsContact CZ-CD2 3.44Å; R39-L155 VanDerWaalsContact NH1-CG 3.34Å
40Y91.4Very high93Very high146 Ų14660.2 Ų60.257%0.57330%0.297SS*.Hα-helixtrans-59.1-48.8178.4176.8-99.9000112.3Q36 A37 Y38 E43 L44Q36-Y40 PolarHBondContact O-N 2.77Å; A37-Y40 PolarHBondContact O-N 3.35Å; Y38-Y40 PolarHBondContact O-N 2.73Å; Y40-E43 PolarHBondContact O-N 3.19Å; Y40-L44 PolarHBondContact O-N 3.14Å
41L94.4Very high92.8Very high56 Ų5655.9 Ų55.929%0.29327%0.27SS..Hα-helixtrans-69.1-34.3180-68.3-178.2000112.5I27 T31 A37 Y38 R39 L44 L45I27-L41 HydrophobicContact CB-CB 4.49Å; I27-L41 HydrophobicContact CD1-CB 4.12Å; I27-L41 HydrophobicContact CG1-CB 4.11Å; I27-L41 HydrophobicContact CG1-CD1 4.49Å; I27-L41 HydrophobicContact CG2-CB 3.59Å; I27-L41 HydrophobicContact CG2-CD1 4.28Å; T31-L41 HydrophobicContact CG2-CD1 3.74Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 WeakPolarHBondContact O-CG 3.17Å; A37-L41 PolarHBondContact O-N 3.39Å; Y38-L41 PolarHBondContact O-N 3.47Å; R39-L41 PolarHBondContact O-N 2.92Å; L41-L44 WeakPolarHBondContact O-CB 3.41Å; L41-L44 PolarHBondContact O-N 3.39Å; L41-L45 WeakPolarHBondContact O-CB 3.44Å; L41-L45 PolarHBondContact O-N 3.29Å
42N93.7Very high92.7Very high5 Ų555.6 Ų55.63%0.02727%0.268CS..Hα-helixtrans-68.6-41.9175.2-172.262.6000111.9Y38 R39 L44 L45 F46 Y126 D130Y38-N42 HydrophobicContact CE2-CB 4.16Å; Y38-N42 WeakPolarHBondContact O-CB 3.29Å; Y38-N42 PolarHBondContact O-N 2.93Å; R39-N42 PolarHBondContact O-N 3.41Å; N42-L44 PolarHBondContact O-N 3.12Å; N42-L45 PolarHBondContact O-N 3.01Å; N42-F46 WeakPolarHBondContact O-CB 3.05Å; N42-F46 PolarHBondContact O-N 3.31Å; N42-Y126 PolarHBondContact OD1-OH 2.8Å; N42-Y126 VanDerWaalsContact OD1-OH 3.11Å; N42-D130 PolarHBondContact ND2-OD1 3.31Å; N42-D130 VanDerWaalsContact ND2-OD1 3.08Å
43E92.8Very high92.6Very high21 Ų2150.2 Ų50.210%0.09824%0.24CC..Hα-helixtrans-59-39.2172-73.9-178.7-176.900111.1R39 Y40 S47 G107 R108R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.29Å; R39-E43 PolarHBondContact O-N 2.89Å; Y40-E43 PolarHBondContact O-N 3.19Å; E43-S47 VanDerWaalsContact O-CB 3.25Å; E43-S47 WeakPolarHBondContact O-CB 3.36Å; E43-S47 PolarHBondContact O-N 3.39Å; E43-G107 VanDerWaalsContact O-CA 3.25Å; E43-G107 WeakPolarHBondContact O-CA 3.49Å; E43-R108 HydrophobicContact CG-CG 4.25Å; E43-R108 WeakPolarHBondContact OE2-CG 3.4Å; E43-R108 IonicContact OE2-CZ 3.51Å; E43-R108 IonicContact OE2-NE 2.89Å; E43-R108 PolarHBondContact OE2-NE 3.13Å; E43-R108 IonicContact OE2-NH2 3.34Å
44L93.6Very high92.6Very high65 Ų6541.2 Ų41.234%0.3420%0.198SC..Hα-helixtrans-65.7-47.8176.1-169.468.5000111.7Y40 L41 N42 F46 S47 F48Y40-L44 PolarHBondContact O-N 3.14Å; L41-L44 WeakPolarHBondContact O-CB 3.41Å; L41-L44 PolarHBondContact O-N 3.39Å; N42-L44 PolarHBondContact O-N 3.12Å; L44-F46 PolarHBondContact O-N 3.4Å; L44-S47 WeakPolarHBondContact O-CB 3.05Å; L44-S47 PolarHBondContact O-N 2.94Å; L44-F48 HydrophobicContact CD1-CD1 4.05Å; L44-F48 HydrophobicContact CD1-CE1 3.29Å; L44-F48 HydrophobicContact CD1-CZ 3.7Å; L44-F48 HydrophobicContact CD2-CE1 4.45Å; L44-F48 HydrophobicContact CD2-CZ 4.07Å; L44-F48 HydrophobicContact CG-CD1 4.19Å; L44-F48 HydrophobicContact CG-CE1 3.66Å; L44-F48 HydrophobicContact CG-CE2 4.32Å; L44-F48 HydrophobicContact CG-CZ 3.74Å; L44-F48 WeakPolarHBondContact O-CD1 3.43Å; L44-F48 WeakPolarHBondContact O-CG 3.32Å; L44-F48 PolarHBondContact O-N 3.29Å
45L94.8Very high92.5Very high12 Ų1239.6 Ų39.66%0.06319%0.185CC..Hα-helixtrans-58.1-48176.8177.263.4000111.1I20 L23 W24 I27 L41 N42 S47 F48 F49 Y126 F385I20-L45 HydrophobicContact CG2-CD2 4.45Å; L23-L45 HydrophobicContact CB-CD1 3.91Å; L23-L45 HydrophobicContact CB-CD2 4.28Å; L23-L45 HydrophobicContact CD1-CD1 3.98Å; W24-L45 HydrophobicContact CB-CD2 3.8Å; I27-L45 HydrophobicContact CD1-CB 3.84Å; I27-L45 HydrophobicContact CD1-CD2 3.93Å; I27-L45 HydrophobicContact CD1-CG 4.38Å; L41-L45 WeakPolarHBondContact O-CB 3.44Å; L41-L45 PolarHBondContact O-N 3.29Å; N42-L45 PolarHBondContact O-N 3.01Å; L45-S47 PolarHBondContact O-N 3.09Å; L45-F48 PolarHBondContact O-N 2.93Å; L45-F49 PolarHBondContact O-N 3.16Å; L45-Y126 HydrophobicContact CD2-CE2 4.08Å; L45-F385 HydrophobicContact CD1-CE1 4.34Å; L45-F385 HydrophobicContact CD1-CZ 3.92Å
46F93.4Very high92.6Very high2 Ų235.2 Ų35.21%0.00917%0.165CC..Hα-helixtrans-62.9-43.8177.7-171.5-123.7000111.1N42 L44 F48 F49 M50 F111 Y126N42-F46 WeakPolarHBondContact O-CB 3.05Å; N42-F46 PolarHBondContact O-N 3.31Å; L44-F46 PolarHBondContact O-N 3.4Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 3.05Å; F46-F49 PolarHBondContact O-N 3.46Å; F46-M50 HydrophobicContact CD1-CG 4.13Å; F46-M50 HydrophobicContact CD2-CG 4.03Å; F46-M50 HydrophobicContact CE1-CG 3.83Å; F46-M50 HydrophobicContact CE1-SD 4.33Å; F46-M50 HydrophobicContact CE2-CG 3.75Å; F46-M50 HydrophobicContact CE2-SD 3.76Å; F46-M50 HydrophobicContact CG-CG 4.22Å; F46-M50 HydrophobicContact CZ-CE 4.12Å; F46-M50 HydrophobicContact CZ-CG 3.65Å; F46-M50 HydrophobicContact CZ-SD 3.62Å; F46-M50 WeakPolarHBondContact O-CB 3.43Å; F46-M50 WeakPolarHBondContact O-CG 3.3Å; F46-M50 PolarHBondContact O-N 2.97Å; F46-F111 HydrophobicContact CZ-CE2 4.28Å; F46-Y126 AromaticContact CD2-CE1 3.79Å; F46-Y126 HydrophobicContact CD2-CE1 3.79Å; F46-Y126 HydrophobicContact CE2-CE1 4.43Å
47S93.6Very high92.6Very high17 Ų1727.6 Ų27.612%0.11913%0.129CC..Hα-helixtrans-58.2-43175.5-174.30000111.8E43 L44 L45 M50 R51E43-S47 VanDerWaalsContact O-CB 3.25Å; E43-S47 WeakPolarHBondContact O-CB 3.36Å; E43-S47 PolarHBondContact O-N 3.39Å; L44-S47 WeakPolarHBondContact O-CB 3.05Å; L44-S47 PolarHBondContact O-N 2.94Å; L45-S47 PolarHBondContact O-N 3.09Å; S47-M50 PolarHBondContact O-N 3.26Å; S47-R51 WeakPolarHBondContact O-CB 3.41Å; S47-R51 VanDerWaalsContact O-CG 3.26Å; S47-R51 WeakPolarHBondContact O-CG 3.34Å; S47-R51 PolarHBondContact O-N 2.99Å
48F94.1Very high92.4Very high54 Ų5425.8 Ų25.824%0.23711%0.114CC..Hα-helixtrans-66.6-41.6179.8-72.111.4000111.1L44 L45 F46 R51 T52 Y381 L384 F385L44-F48 HydrophobicContact CD1-CD1 4.05Å; L44-F48 HydrophobicContact CD1-CE1 3.29Å; L44-F48 HydrophobicContact CD1-CZ 3.7Å; L44-F48 HydrophobicContact CD2-CE1 4.45Å; L44-F48 HydrophobicContact CD2-CZ 4.07Å; L44-F48 HydrophobicContact CG-CD1 4.19Å; L44-F48 HydrophobicContact CG-CE1 3.66Å; L44-F48 HydrophobicContact CG-CE2 4.32Å; L44-F48 HydrophobicContact CG-CZ 3.74Å; L44-F48 WeakPolarHBondContact O-CD1 3.43Å; L44-F48 WeakPolarHBondContact O-CG 3.32Å; L44-F48 PolarHBondContact O-N 3.29Å; L45-F48 PolarHBondContact O-N 2.93Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 3.05Å; F48-R51 PolarHBondContact O-N 3.44Å; F48-T52 PolarHBondContact O-N 3.44Å; F48-T52 PolarHBondContact O-OG1 3.39Å; F48-Y381 HydrophobicContact CB-CD1 3.9Å; F48-Y381 AromaticContact CD1-CD1 3.58Å; F48-Y381 HydrophobicContact CD1-CD1 3.58Å; F48-Y381 AromaticContact CD1-CE1 3.36Å; F48-Y381 HydrophobicContact CD1-CE1 3.36Å; F48-Y381 HydrophobicContact CD2-CD1 4.13Å; F48-Y381 HydrophobicContact CD2-CE1 4.42Å; F48-Y381 HydrophobicContact CE1-CD1 4.07Å; F48-Y381 AromaticContact CE1-CE1 3.45Å; F48-Y381 HydrophobicContact CE1-CE1 3.45Å; F48-Y381 VanDerWaalsContact CE1-CE1 3.45Å; F48-Y381 HydrophobicContact CE2-CE1 4.48Å; F48-Y381 AromaticContact CG-CD1 3.61Å; F48-Y381 HydrophobicContact CG-CD1 3.61Å; F48-Y381 AromaticContact CG-CE1 3.89Å; F48-Y381 HydrophobicContact CG-CE1 3.89Å; F48-Y381 HydrophobicContact CZ-CE1 4.02Å; F48-L384 HydrophobicContact CD2-CD2 3.93Å; F48-L384 HydrophobicContact CE2-CD2 4.16Å; F48-F385 HydrophobicContact CB-CE2 3.7Å; F48-F385 HydrophobicContact CB-CZ 4.32Å
49F93Very high92.2Very high13 Ų1328.5 Ų28.56%0.05713%0.125CC..Hα-helixtrans-62.3-47.7175.7173.8-110.1000111.2I20 L45 F46 R51 T52 F53 F123 F385I20-F49 HydrophobicContact CD1-CD2 3.16Å; I20-F49 HydrophobicContact CD1-CE2 3.28Å; I20-F49 HydrophobicContact CD1-CG 3.85Å; I20-F49 HydrophobicContact CD1-CZ 4.06Å; I20-F49 HydrophobicContact CG1-CD2 4.07Å; L45-F49 PolarHBondContact O-N 3.16Å; F46-F49 PolarHBondContact O-N 3.46Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 2.85Å; F49-T52 WeakPolarHBondContact O-CA 3.38Å; F49-T52 VanDerWaalsContact O-CB 3.3Å; F49-T52 WeakPolarHBondContact O-CB 3.48Å; F49-T52 PolarHBondContact O-N 2.95Å; F49-F53 PolarHBondContact O-N 2.9Å; F49-F123 HydrophobicContact CD1-CE2 4.18Å; F49-F123 HydrophobicContact CE1-CD2 4.4Å; F49-F123 AromaticContact CE1-CE2 3.51Å; F49-F123 HydrophobicContact CE1-CE2 3.51Å; F49-F123 AromaticContact CE1-CZ 3.97Å; F49-F123 HydrophobicContact CE1-CZ 3.97Å; F49-F123 HydrophobicContact CZ-CE2 4.12Å; F49-F385 HydrophobicContact CB-CE2 4.33Å; F49-F385 HydrophobicContact CB-CZ 4.13Å
50M92.6Very high92.1Very high2 Ų226.3 Ų26.31%0.0112%0.118CC..Hα-helixtrans-63.9-33.7178.9-66-64.9-77.700112F46 S47 F53 L54 W93 S97 L106 F111F46-M50 HydrophobicContact CD1-CG 4.13Å; F46-M50 HydrophobicContact CD2-CG 4.03Å; F46-M50 HydrophobicContact CE1-CG 3.83Å; F46-M50 HydrophobicContact CE1-SD 4.33Å; F46-M50 HydrophobicContact CE2-CG 3.75Å; F46-M50 HydrophobicContact CE2-SD 3.76Å; F46-M50 HydrophobicContact CG-CG 4.22Å; F46-M50 HydrophobicContact CZ-CE 4.12Å; F46-M50 HydrophobicContact CZ-CG 3.65Å; F46-M50 HydrophobicContact CZ-SD 3.62Å; F46-M50 WeakPolarHBondContact O-CB 3.43Å; F46-M50 WeakPolarHBondContact O-CG 3.3Å; F46-M50 PolarHBondContact O-N 2.97Å; S47-M50 PolarHBondContact O-N 3.26Å; M50-F53 WeakPolarHBondContact O-CB 3.27Å; M50-F53 PolarHBondContact O-N 3.49Å; M50-L54 WeakPolarHBondContact O-CG 3.36Å; M50-L54 PolarHBondContact O-N 3.32Å; M50-W93 HydrophobicContact CE-CE3 3.92Å; M50-W93 HydrophobicContact CE-CZ3 3.61Å; M50-W93 HydrophobicContact SD-CZ3 3.76Å; M50-S97 WeakPolarHBondContact CE-OG 3.21Å; M50-L106 HydrophobicContact CB-CD1 4.23Å; M50-L106 HydrophobicContact CB-CD2 3.46Å; M50-L106 VanDerWaalsContact CB-CD2 3.46Å; M50-L106 HydrophobicContact CB-CG 3.63Å; M50-L106 HydrophobicContact CG-CG 4.42Å; M50-F111 HydrophobicContact CE-CZ 4.46Å
51R93.8Very high92Very high50 Ų5019.4 Ų19.419%0.1899%0.091CC..Hα-helixtrans-66.6-37.7171.1-74.8177.8-178-89.80.2112.5S47 F48 F49 F53 L54 F55 L106 D377 F378 Y381S47-R51 WeakPolarHBondContact O-CB 3.41Å; S47-R51 VanDerWaalsContact O-CG 3.26Å; S47-R51 WeakPolarHBondContact O-CG 3.34Å; S47-R51 PolarHBondContact O-N 2.99Å; F48-R51 PolarHBondContact O-N 3.44Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 2.85Å; R51-F53 VanDerWaalsContact C-N 3.29Å; R51-F53 PolarHBondContact O-N 3.4Å; R51-L54 PolarHBondContact O-N 3.3Å; R51-F55 PolarHBondContact O-N 2.88Å; R51-L106 HydrophobicContact CG-CD2 3.83Å; R51-D377 PolarHBondContact NH1-O 3.13Å; R51-F378 HydrophobicContact CB-CD1 3.94Å; R51-F378 HydrophobicContact CG-CD1 4.05Å; R51-F378 HydrophobicContact CG-CE1 4.28Å; R51-F378 WeakPolarHBondContact O-CD1 3.47Å; R51-Y381 HydrophobicContact CB-CD1 4.35Å; R51-Y381 HydrophobicContact CB-CD2 3.74Å; R51-Y381 HydrophobicContact CB-CE2 4.32Å; R51-Y381 HydrophobicContact CB-CG 3.75Å; R51-Y381 HydrophobicContact CG-CD2 4.28Å; R51-Y381 HydrophobicContact CG-CE2 4.36Å
52T93.1Very high91.9Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-63.1-39.4171.6-56.80000111L16 F48 F49 F55 I56 Y381 A382 F385 Y386L16-T52 HydrophobicContact CD1-CG2 3.79Å; F48-T52 PolarHBondContact O-N 3.44Å; F48-T52 PolarHBondContact O-OG1 3.39Å; F49-T52 WeakPolarHBondContact O-CA 3.38Å; F49-T52 VanDerWaalsContact O-CB 3.3Å; F49-T52 WeakPolarHBondContact O-CB 3.48Å; F49-T52 PolarHBondContact O-N 2.95Å; T52-F55 WeakPolarHBondContact O-CB 3.41Å; T52-F55 PolarHBondContact O-N 3.47Å; T52-I56 HydrophobicContact CG2-CD1 4.47Å; T52-I56 WeakPolarHBondContact O-CG1 3.31Å; T52-I56 PolarHBondContact O-N 2.92Å; T52-Y381 PolarHBondContact OG1-O 3.45Å; T52-A382 HydrophobicContact CG2-CB 4.13Å; T52-F385 VanDerWaalsContact OG1-CD2 3.27Å; T52-F385 WeakPolarHBondContact OG1-CD2 3.34Å; T52-Y386 HydrophobicContact CG2-CE2 4.35Å
53F91.3Very high91.8Very high10 Ų1021.7 Ų21.74%0.04410%0.096CC..Hα-helixtrans-62.8-44.5173.4-161.3-82.1000112I13 F49 M50 R51 F55 I56 F57 W93 F94 L243I13-F53 HydrophobicContact CD1-CB 4.34Å; I13-F53 HydrophobicContact CD1-CD2 3.26Å; I13-F53 HydrophobicContact CD1-CE2 3.79Å; I13-F53 HydrophobicContact CD1-CG 4.13Å; F49-F53 PolarHBondContact O-N 2.9Å; M50-F53 WeakPolarHBondContact O-CB 3.27Å; M50-F53 PolarHBondContact O-N 3.49Å; R51-F53 VanDerWaalsContact C-N 3.29Å; R51-F53 PolarHBondContact O-N 3.4Å; F53-F55 VanDerWaalsContact C-N 3.35Å; F53-F55 PolarHBondContact O-N 3.38Å; F53-I56 PolarHBondContact O-N 3.16Å; F53-I56 VanDerWaalsContact O-N 3.16Å; F53-F57 HydrophobicContact CD1-CB 4.12Å; F53-F57 AromaticContact CD1-CD2 3.59Å; F53-F57 HydrophobicContact CD1-CD2 3.59Å; F53-F57 HydrophobicContact CD1-CE2 4.44Å; F53-F57 HydrophobicContact CD1-CG 4.2Å; F53-F57 AromaticContact CD2-CD2 3.99Å; F53-F57 HydrophobicContact CD2-CD2 3.99Å; F53-F57 HydrophobicContact CD2-CE2 4.08Å; F53-F57 HydrophobicContact CE1-CB 3.73Å; F53-F57 AromaticContact CE1-CD2 3.12Å; F53-F57 HydrophobicContact CE1-CD2 3.12Å; F53-F57 AromaticContact CE1-CE2 3.83Å; F53-F57 HydrophobicContact CE1-CE2 3.83Å; F53-F57 AromaticContact CE1-CG 3.55Å; F53-F57 HydrophobicContact CE1-CG 3.55Å; F53-F57 AromaticContact CE2-CD2 3.57Å; F53-F57 HydrophobicContact CE2-CD2 3.57Å; F53-F57 AromaticContact CE2-CE2 3.42Å; F53-F57 HydrophobicContact CE2-CE2 3.42Å; F53-F57 VanDerWaalsContact CE2-CE2 3.42Å; F53-F57 HydrophobicContact CE2-CZ 4.42Å; F53-F57 AromaticContact CG-CD2 3.99Å; F53-F57 HydrophobicContact CG-CD2 3.99Å; F53-F57 HydrophobicContact CZ-CB 4.48Å; F53-F57 AromaticContact CZ-CD2 3.11Å; F53-F57 HydrophobicContact CZ-CD2 3.11Å; F53-F57 AromaticContact CZ-CE2 3.27Å; F53-F57 HydrophobicContact CZ-CE2 3.27Å; F53-F57 AromaticContact CZ-CG 3.81Å; F53-F57 HydrophobicContact CZ-CG 3.81Å; F53-F57 HydrophobicContact CZ-CZ 4.1Å; F53-F57 PolarHBondContact O-N 3.15Å; F53-W93 AromaticContact CD1-CH2 3.57Å; F53-W93 HydrophobicContact CD1-CH2 3.57Å; F53-W93 HydrophobicContact CD1-CZ2 4.16Å; F53-W93 AromaticContact CD1-CZ3 3.96Å; F53-W93 HydrophobicContact CD1-CZ3 3.96Å; F53-W93 AromaticContact CD2-CH2 3.33Å; F53-W93 HydrophobicContact CD2-CH2 3.33Å; F53-W93 AromaticContact CD2-CZ2 3.93Å; F53-W93 HydrophobicContact CD2-CZ2 3.93Å; F53-W93 HydrophobicContact CD2-CZ3 4.3Å; F53-W93 AromaticContact CE1-CH2 3.45Å; F53-W93 HydrophobicContact CE1-CH2 3.45Å; F53-W93 VanDerWaalsContact CE1-CH2 3.45Å; F53-W93 AromaticContact CE1-CZ2 3.55Å; F53-W93 HydrophobicContact CE1-CZ2 3.55Å; F53-W93 HydrophobicContact CE1-CZ3 4.09Å; F53-W93 AromaticContact CE2-CH2 3.22Å; F53-W93 HydrophobicContact CE2-CH2 3.22Å; F53-W93 AromaticContact CE2-CZ2 3.29Å; F53-W93 HydrophobicContact CE2-CZ2 3.29Å; F53-W93 HydrophobicContact CE2-CZ3 4.43Å; F53-W93 AromaticContact CG-CH2 3.52Å; F53-W93 HydrophobicContact CG-CH2 3.52Å; F53-W93 HydrophobicContact CG-CZ2 4.34Å; F53-W93 HydrophobicContact CG-CZ3 4.08Å; F53-W93 AromaticContact CZ-CH2 3.28Å; F53-W93 HydrophobicContact CZ-CH2 3.28Å; F53-W93 AromaticContact CZ-CZ2 3.05Å; F53-W93 HydrophobicContact CZ-CZ2 3.05Å; F53-W93 HydrophobicContact CZ-CZ3 4.32Å; F53-F94 HydrophobicContact CD1-CB 3.77Å; F53-F94 HydrophobicContact CE1-CB 3.39Å; F53-F94 HydrophobicContact CE1-CD1 4.16Å; F53-F94 AromaticContact CE1-CG 3.97Å; F53-F94 HydrophobicContact CE1-CG 3.97Å; F53-F94 HydrophobicContact CZ-CB 4.49Å; F53-L243 HydrophobicContact CE1-CD1 4.39Å; F53-L243 HydrophobicContact CZ-CD1 3.91Å; F53-L243 HydrophobicContact CZ-CD2 4.04Å
54L92.3Very high91.7Very high0 Ų023.5 Ų23.50%010%0.103CC..Iπ-helixtrans-68.3-29.4177-71.4175.8000113.1M50 R51 I56 G58 Y59 M98 L106 F378M50-L54 WeakPolarHBondContact O-CG 3.36Å; M50-L54 PolarHBondContact O-N 3.32Å; R51-L54 PolarHBondContact O-N 3.3Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.7Å; L54-G58 CarbonylContact O-C 3.51Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 3.49Å; L54-Y59 PolarHBondContact O-N 3.24Å; L54-M98 HydrophobicContact CD2-CB 3.86Å; L54-M98 HydrophobicContact CD2-CG 4.38Å; L54-L106 HydrophobicContact CD1-CD2 3.87Å; L54-F378 HydrophobicContact CB-CD1 3.74Å; L54-F378 HydrophobicContact CB-CE1 3.68Å; L54-F378 HydrophobicContact CB-CG 4.38Å; L54-F378 HydrophobicContact CB-CZ 4.32Å; L54-F378 HydrophobicContact CD1-CD1 4.46Å; L54-F378 HydrophobicContact CD1-CE1 3.7Å; L54-F378 HydrophobicContact CD1-CZ 4.32Å; L54-F378 HydrophobicContact CG-CE1 4.36Å
55F92.1Very high91.7Very high13 Ų1320.7 Ų20.76%0.0579%0.088CC..Iπ-helixtrans-58.2-47.7168.2177.9-115.6000110.5R51 T52 F53 Y59 M60 L375 F378 L379 A382R51-F55 PolarHBondContact O-N 2.88Å; T52-F55 WeakPolarHBondContact O-CB 3.41Å; T52-F55 PolarHBondContact O-N 3.47Å; F53-F55 VanDerWaalsContact C-N 3.35Å; F53-F55 PolarHBondContact O-N 3.38Å; F55-Y59 AromaticContact CD2-CD1 3.99Å; F55-Y59 HydrophobicContact CD2-CD1 3.99Å; F55-Y59 HydrophobicContact CD2-CG 4.43Å; F55-Y59 AromaticContact CE2-CD1 3.77Å; F55-Y59 HydrophobicContact CE2-CD1 3.77Å; F55-Y59 HydrophobicContact CE2-CE1 4.21Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; F55-M60 HydrophobicContact CD1-CE 3.57Å; F55-M60 HydrophobicContact CE1-CE 3.34Å; F55-M60 HydrophobicContact CE1-SD 4.35Å; F55-M60 HydrophobicContact CG-CE 4.37Å; F55-M60 HydrophobicContact CZ-CE 3.95Å; F55-M60 HydrophobicContact CZ-SD 4.43Å; F55-M60 WeakPolarHBondContact O-CG 3.32Å; F55-M60 PolarHBondContact O-N 3.24Å; F55-L375 HydrophobicContact CE2-CD1 3.71Å; F55-F378 HydrophobicContact CB-CB 3.63Å; F55-F378 HydrophobicContact CD2-CB 4.2Å; F55-F378 HydrophobicContact CG-CB 4.38Å; F55-L379 HydrophobicContact CD2-CB 4.37Å; F55-L379 HydrophobicContact CE1-CD1 4.27Å; F55-L379 HydrophobicContact CE2-CB 4.09Å; F55-L379 HydrophobicContact CE2-CD1 3.77Å; F55-L379 HydrophobicContact CZ-CD1 3.58Å; F55-A382 HydrophobicContact CB-CB 4.24Å; F55-A382 HydrophobicContact CD1-CB 3.37Å; F55-A382 HydrophobicContact CE1-CB 3.86Å; F55-A382 HydrophobicContact CG-CB 3.9Å
56I88.9Confident91.7Very high0 Ų020.1 Ų20.10%09%0.086CC..Iπ-helixtrans-73.9-58.9-175.5-59.2167.9000111.1F9 I13 T52 F53 L54 M60 N61 L247 Y386F9-I56 HydrophobicContact CB-CD1 4.18Å; F9-I56 HydrophobicContact CB-CG1 4.03Å; F9-I56 HydrophobicContact CB-CG2 4.22Å; I13-I56 HydrophobicContact CB-CD1 4.13Å; I13-I56 HydrophobicContact CD1-CD1 3.83Å; I13-I56 HydrophobicContact CG1-CD1 3.96Å; T52-I56 HydrophobicContact CG2-CD1 4.47Å; T52-I56 WeakPolarHBondContact O-CG1 3.31Å; T52-I56 PolarHBondContact O-N 2.92Å; F53-I56 PolarHBondContact O-N 3.16Å; F53-I56 VanDerWaalsContact O-N 3.16Å; L54-I56 VanDerWaalsContact C-N 3.31Å; L54-I56 PolarHBondContact O-N 2.7Å; I56-M60 HydrophobicContact CB-CE 4.08Å; I56-M60 HydrophobicContact CG1-CE 3.78Å; I56-M60 HydrophobicContact CG2-CE 4.31Å; I56-M60 WeakPolarHBondContact O-CB 3.33Å; I56-N61 PolarHBondContact O-ND2 3.17Å; I56-L247 HydrophobicContact CG2-CD2 4.36Å; I56-Y386 HydrophobicContact CD1-CE2 4.24Å
57F89.2Confident91.8Very high2 Ų220 Ų201%0.0099%0.085CC..Iπ-helixtrans-87.7-29.6-172.1-68.8-80000113.5I13 F53 N61 V62 F94 L243 W246 L247I13-F57 HydrophobicContact CD1-CE2 4.3Å; F53-F57 HydrophobicContact CD1-CB 4.12Å; F53-F57 AromaticContact CD1-CD2 3.59Å; F53-F57 HydrophobicContact CD1-CD2 3.59Å; F53-F57 HydrophobicContact CD1-CE2 4.44Å; F53-F57 HydrophobicContact CD1-CG 4.2Å; F53-F57 AromaticContact CD2-CD2 3.99Å; F53-F57 HydrophobicContact CD2-CD2 3.99Å; F53-F57 HydrophobicContact CD2-CE2 4.08Å; F53-F57 HydrophobicContact CE1-CB 3.73Å; F53-F57 AromaticContact CE1-CD2 3.12Å; F53-F57 HydrophobicContact CE1-CD2 3.12Å; F53-F57 AromaticContact CE1-CE2 3.83Å; F53-F57 HydrophobicContact CE1-CE2 3.83Å; F53-F57 AromaticContact CE1-CG 3.55Å; F53-F57 HydrophobicContact CE1-CG 3.55Å; F53-F57 AromaticContact CE2-CD2 3.57Å; F53-F57 HydrophobicContact CE2-CD2 3.57Å; F53-F57 AromaticContact CE2-CE2 3.42Å; F53-F57 HydrophobicContact CE2-CE2 3.42Å; F53-F57 VanDerWaalsContact CE2-CE2 3.42Å; F53-F57 HydrophobicContact CE2-CZ 4.42Å; F53-F57 AromaticContact CG-CD2 3.99Å; F53-F57 HydrophobicContact CG-CD2 3.99Å; F53-F57 HydrophobicContact CZ-CB 4.48Å; F53-F57 AromaticContact CZ-CD2 3.11Å; F53-F57 HydrophobicContact CZ-CD2 3.11Å; F53-F57 AromaticContact CZ-CE2 3.27Å; F53-F57 HydrophobicContact CZ-CE2 3.27Å; F53-F57 AromaticContact CZ-CG 3.81Å; F53-F57 HydrophobicContact CZ-CG 3.81Å; F53-F57 HydrophobicContact CZ-CZ 4.1Å; F53-F57 PolarHBondContact O-N 3.15Å; F57-N61 WeakPolarHBondContact O-CB 3.31Å; F57-V62 WeakPolarHBondContact O-CG2 3.41Å; F57-F94 HydrophobicContact CB-CD1 4.32Å; F57-F94 HydrophobicContact CB-CD2 4.3Å; F57-F94 HydrophobicContact CB-CE1 4.43Å; F57-F94 HydrophobicContact CB-CE2 4.45Å; F57-F94 HydrophobicContact CB-CG 4.29Å; F57-L243 HydrophobicContact CD1-CD1 3.35Å; F57-L243 HydrophobicContact CD1-CG 4.06Å; F57-L243 HydrophobicContact CD2-CD1 4.33Å; F57-L243 HydrophobicContact CE1-CD1 3.23Å; F57-L243 HydrophobicContact CE1-CD2 4.13Å; F57-L243 HydrophobicContact CE1-CG 3.38Å; F57-L243 HydrophobicContact CE2-CD1 4.21Å; F57-L243 HydrophobicContact CE2-CD2 4.36Å; F57-L243 HydrophobicContact CE2-CG 4.43Å; F57-L243 HydrophobicContact CG-CD1 3.91Å; F57-L243 HydrophobicContact CZ-CD1 3.68Å; F57-L243 HydrophobicContact CZ-CD2 3.8Å; F57-L243 HydrophobicContact CZ-CG 3.59Å; F57-W246 HydrophobicContact CD1-CB 4.32Å; F57-L247 HydrophobicContact CD1-CD2 4.13Å; F57-L247 HydrophobicContact CE1-CD1 4.49Å; F57-L247 HydrophobicContact CE1-CD2 3.46Å; F57-L247 VanDerWaalsContact CE1-CD2 3.46Å; F57-L247 HydrophobicContact CE1-CG 3.93Å; F57-L247 HydrophobicContact CZ-CD2 3.93Å; F57-L247 HydrophobicContact CZ-CG 4.47Å
58G89.4Confident91.9Very high0 Ų019.3 Ų19.30%08%0.08CC..Iπ-helixtrans-80.6-79.1173.900000111.1L54 M60 N61 V62L54-G58 CarbonylContact O-C 3.51Å; L54-G58 WeakPolarHBondContact O-CA 3.43Å; L54-G58 PolarHBondContact O-N 3.49Å; G58-M60 PolarHBondContact O-N 2.97Å; G58-N61 PolarHBondContact O-N 3.05Å; G58-V62 WeakPolarHBondContact O-CA 3.38Å; G58-V62 VanDerWaalsContact O-CB 3.23Å; G58-V62 WeakPolarHBondContact O-CB 3.33Å; G58-V62 PolarHBondContact O-N 2.69Å
59Y89.5Confident92Very high66 Ų6616.7 Ų16.726%0.2597%0.068SC..Iπ-helixtrans-56.2-46.4-171.8173.5-98.3000113.6L54 F55 F373 L375L54-Y59 PolarHBondContact O-N 3.24Å; F55-Y59 AromaticContact CD2-CD1 3.99Å; F55-Y59 HydrophobicContact CD2-CD1 3.99Å; F55-Y59 HydrophobicContact CD2-CG 4.43Å; F55-Y59 AromaticContact CE2-CD1 3.77Å; F55-Y59 HydrophobicContact CE2-CD1 3.77Å; F55-Y59 HydrophobicContact CE2-CE1 4.21Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; Y59-F373 HydrophobicContact CD2-CB 4.25Å; Y59-F373 WeakPolarHBondContact CD2-O 3.36Å; Y59-F373 WeakPolarHBondContact CE2-O 3.26Å; Y59-L375 HydrophobicContact CD1-CD1 4.07Å; Y59-L375 HydrophobicContact CE1-CD1 3.37Å; Y59-L375 HydrophobicContact CE2-CB 3.96Å; Y59-L375 HydrophobicContact CE2-CD1 4.3Å
60M88Confident92.2Very high19 Ų1917.3 Ų17.39%0.0947%0.072CC..THydrogen-bonded Turntrans-80.9-27.8-176.6-56.6-169.1-107.200114.2K6 F9 F55 I56 G58 Q250K6-M60 WeakPolarHBondContact CE-O 3.48Å; K6-M60 HydrophobicContact CG-CB 3.87Å; K6-M60 HydrophobicContact CG-SD 4.32Å; K6-M60 PolarHBondContact NZ-O 3.25Å; K6-M60 VanDerWaalsContact NZ-O 3.14Å; F9-M60 HydrophobicContact CB-CE 3.79Å; F9-M60 HydrophobicContact CD2-CE 3.57Å; F9-M60 HydrophobicContact CD2-SD 4.02Å; F9-M60 HydrophobicContact CE2-CE 4.37Å; F9-M60 HydrophobicContact CG-CE 3.83Å; F55-M60 HydrophobicContact CD1-CE 3.57Å; F55-M60 HydrophobicContact CE1-CE 3.34Å; F55-M60 HydrophobicContact CE1-SD 4.35Å; F55-M60 HydrophobicContact CG-CE 4.37Å; F55-M60 HydrophobicContact CZ-CE 3.95Å; F55-M60 HydrophobicContact CZ-SD 4.43Å; F55-M60 WeakPolarHBondContact O-CG 3.32Å; F55-M60 PolarHBondContact O-N 3.24Å; I56-M60 HydrophobicContact CB-CE 4.08Å; I56-M60 HydrophobicContact CG1-CE 3.78Å; I56-M60 HydrophobicContact CG2-CE 4.31Å; I56-M60 WeakPolarHBondContact O-CB 3.33Å; G58-M60 PolarHBondContact O-N 2.97Å; M60-Q250 PolarHBondContact O-NE2 3.5Å
61N89.4Confident92.2Very high0 Ų018.4 Ų18.40%08%0.079CC..THydrogen-bonded Turntrans-118.8-14.3-167.1-66.7-55.1000115.2K6 I56 F57 G58 W246 Q250 R251K6-N61 WeakPolarHBondContact CD-OD1 3.44Å; I56-N61 PolarHBondContact O-ND2 3.17Å; F57-N61 WeakPolarHBondContact O-CB 3.31Å; G58-N61 PolarHBondContact O-N 3.05Å; N61-W246 HydrophobicContact CB-CE3 4.3Å; N61-W246 VanDerWaalsContact CB-O 3.26Å; N61-W246 WeakPolarHBondContact CB-O 3.19Å; N61-W246 PolarHBondContact OD1-O 3.2Å; N61-Q250 VanDerWaalsContact O-CA 3.26Å; N61-Q250 WeakPolarHBondContact O-CA 3.45Å; N61-R251 PolarHBondContact O-N 3.41Å
62V91.4Very high92.2Very high6 Ų618.7 Ų18.74%0.0368%0.084CC..EExtended strand (participates in β ladder)trans-90.9126.5168.3179.50000109.2F57 G58 I65 F94 M98 W246 R251 L253F57-V62 WeakPolarHBondContact O-CG2 3.41Å; G58-V62 WeakPolarHBondContact O-CA 3.38Å; G58-V62 VanDerWaalsContact O-CB 3.23Å; G58-V62 WeakPolarHBondContact O-CB 3.33Å; G58-V62 PolarHBondContact O-N 2.69Å; V62-I65 HydrophobicContact CG1-CD1 3.9Å; V62-I65 HydrophobicContact CG1-CG1 3.45Å; V62-I65 VanDerWaalsContact CG1-CG1 3.45Å; V62-F94 HydrophobicContact CG2-CE2 4.17Å; V62-M98 HydrophobicContact CG2-SD 4.42Å; V62-W246 HydrophobicContact CB-CZ3 4.43Å; V62-W246 HydrophobicContact CG2-CE3 4.4Å; V62-W246 HydrophobicContact CG2-CH2 4.23Å; V62-W246 HydrophobicContact CG2-CZ3 3.57Å; V62-R251 CarbonylContact C-O 3.57Å; V62-R251 WeakPolarHBondContact CA-O 3.4Å; V62-L253 HydrophobicContact CG1-CD1 4.48Å; V62-L253 HydrophobicContact CG2-CD1 4.32Å
63R91.5Very high92.2Very high104 Ų10418.7 Ų18.739%0.3928%0.084SC..EExtended strand (participates in β ladder)trans-83.9-53.9177.5-178.859.9-177.4116.5-5.3111.8Q250 R251R63-Q250 HydrophobicContact CB-CB 4.18Å; R63-R251 PolarHBondContact N-O 2.91Å
64K91.6Very high92.1Very high59 Ų5920.6 Ų20.626%0.2579%0.094SC..EExtended strand (participates in β ladder)trans-148.7149.7-179-74.8-169.5172.2-1480111.1Y66 S252 L253 E369K64-Y66 HydrophobicContact CB-CE1 4.34Å; K64-Y66 HydrophobicContact CB-CE2 4.13Å; K64-Y66 HydrophobicContact CD-CE1 4.17Å; K64-Y66 WeakPolarHBondContact CD-OH 3.4Å; K64-S252 CarbonylContact O-C 3.36Å; K64-S252 VanDerWaalsContact O-CA 3.25Å; K64-S252 WeakPolarHBondContact O-CA 3.18Å; K64-L253 PolarHBondContact O-N 3.23Å; K64-E369 WeakPolarHBondContact CD-OE1 3.25Å; K64-E369 WeakPolarHBondContact CE-OE1 3.24Å; K64-E369 IonicContact NZ-OE1 3.65Å; K64-E369 PolarHBondContact NZ-OE1 2.7Å
65I93.3Very high92.1Very high5 Ų528.7 Ų28.73%0.02613%0.13CC..EExtended strand (participates in β ladder)trans-129.5124176.6-51.2150.1000108.1V62 V67 M98 L253 I255 L370 F373V62-I65 HydrophobicContact CG1-CD1 3.9Å; V62-I65 HydrophobicContact CG1-CG1 3.45Å; V62-I65 VanDerWaalsContact CG1-CG1 3.45Å; I65-V67 HydrophobicContact CG2-CG2 4.25Å; I65-M98 HydrophobicContact CB-CE 4.49Å; I65-M98 HydrophobicContact CD1-CE 3.49Å; I65-M98 VanDerWaalsContact CD1-CE 3.49Å; I65-M98 HydrophobicContact CD1-CG 4.31Å; I65-M98 HydrophobicContact CD1-SD 3.3Å; I65-M98 WeakPolarHBondContact CD1-SD 3.23Å; I65-M98 HydrophobicContact CG1-CE 3.83Å; I65-M98 HydrophobicContact CG1-SD 4.04Å; I65-M98 HydrophobicContact CG2-CE 3.85Å; I65-L253 CarbonylContact C-O 3.51Å; I65-L253 WeakPolarHBondContact CA-O 3.35Å; I65-L253 HydrophobicContact CG1-CB 4.5Å; I65-L253 HydrophobicContact CG2-CB 4.28Å; I65-I255 HydrophobicContact CG2-CD1 3.76Å; I65-I255 HydrophobicContact CG2-CG1 4.34Å; I65-L370 HydrophobicContact CB-CB 4.26Å; I65-L370 HydrophobicContact CB-CD1 4.19Å; I65-L370 HydrophobicContact CD1-CD1 4.47Å; I65-L370 HydrophobicContact CG2-CD1 3.81Å; I65-L370 HydrophobicContact CG2-CG 4.49Å; I65-L370 PolarHBondContact O-N 3.38Å; I65-F373 HydrophobicContact CD1-CE2 4.13Å
66Y94.4Very high92.1Very high1 Ų132 Ų320%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-110.5115176.8-51-70.2000108.4K64 L253 Y254 I255 L348 E369K64-Y66 HydrophobicContact CB-CE1 4.34Å; K64-Y66 HydrophobicContact CB-CE2 4.13Å; K64-Y66 HydrophobicContact CD-CE1 4.17Å; K64-Y66 WeakPolarHBondContact CD-OH 3.4Å; Y66-L253 PolarHBondContact N-O 3.42Å; Y66-Y254 AromaticContact CD2-CD1 3.75Å; Y66-Y254 HydrophobicContact CD2-CD1 3.75Å; Y66-Y254 HydrophobicContact CD2-CD2 4.13Å; Y66-Y254 AromaticContact CD2-CE1 3.41Å; Y66-Y254 HydrophobicContact CD2-CE1 3.41Å; Y66-Y254 VanDerWaalsContact CD2-CE1 3.41Å; Y66-Y254 AromaticContact CD2-CE2 3.81Å; Y66-Y254 HydrophobicContact CD2-CE2 3.81Å; Y66-Y254 HydrophobicContact CD2-CG 4.06Å; Y66-Y254 AromaticContact CD2-CZ 3.43Å; Y66-Y254 VanDerWaalsContact CD2-CZ 3.43Å; Y66-Y254 AromaticContact CE2-CE1 3.98Å; Y66-Y254 HydrophobicContact CE2-CE1 3.98Å; Y66-Y254 AromaticContact CE2-CE2 4Å; Y66-Y254 HydrophobicContact CE2-CE2 4Å; Y66-Y254 AromaticContact CE2-CZ 3.58Å; Y66-Y254 WeakPolarHBondContact CE2-OH 3.43Å; Y66-Y254 HydrophobicContact CG-CD1 4.18Å; Y66-Y254 AromaticContact CG-CE1 3.98Å; Y66-Y254 HydrophobicContact CG-CE1 3.98Å; Y66-Y254 WeakPolarHBondContact O-CA 3.21Å; Y66-I255 PolarHBondContact O-N 2.9Å; Y66-L348 HydrophobicContact CE2-CD1 4.48Å; Y66-L348 VanDerWaalsContact OH-CD1 3.26Å; Y66-L348 WeakPolarHBondContact OH-CD1 3.27Å; Y66-L348 WeakPolarHBondContact OH-CD2 3.4Å; Y66-E369 HydrophobicContact CD1-CB 4.17Å; Y66-E369 HydrophobicContact CD1-CG 3.94Å; Y66-E369 HydrophobicContact CE1-CG 3.89Å
67V95.4Very high92.1Very high0 Ų037.7 Ų37.70%017%0.166CC..EExtended strand (participates in β ladder)trans-100.5136.7175.7-176.30000109.9I65 V71 F73 L99 I255 L257 C367 L368 L370I65-V67 HydrophobicContact CG2-CG2 4.25Å; V67-V71 HydrophobicContact CG1-CG1 4.48Å; V67-F73 HydrophobicContact CB-CE1 4.44Å; V67-F73 HydrophobicContact CG1-CD1 4.38Å; V67-F73 HydrophobicContact CG1-CE1 3.78Å; V67-F73 HydrophobicContact CG2-CE1 4.34Å; V67-L99 HydrophobicContact CG2-CD2 4.45Å; V67-I255 CarbonylContact C-O 3.51Å; V67-I255 VanDerWaalsContact CA-O 3.25Å; V67-I255 WeakPolarHBondContact CA-O 3.41Å; V67-I255 HydrophobicContact CG2-CB 4.32Å; V67-L257 HydrophobicContact CG1-CB 4.38Å; V67-C367 CarbonylContact O-C 3.53Å; V67-C367 WeakPolarHBondContact O-CA 3.33Å; V67-L368 PolarHBondContact N-O 2.74Å; V67-L368 PolarHBondContact O-N 3.3Å; V67-L370 HydrophobicContact CG2-CD1 3.5Å; V67-L370 HydrophobicContact CG2-CD2 4.26Å; V67-L370 HydrophobicContact CG2-CG 3.7Å
68Y96.3Very high92Very high1 Ų141.7 Ų41.70%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-128.2161.3178.2-59.4-97.9000110.8Y254 I255 L257 F355 L356 F359 Q366 C367Y68-Y254 AromaticContact CE2-CD1 3.65Å; Y68-Y254 HydrophobicContact CE2-CD1 3.65Å; Y68-Y254 HydrophobicContact CE2-CE1 4.41Å; Y68-I255 PolarHBondContact N-O 3.46Å; Y68-L257 PolarHBondContact O-N 2.89Å; Y68-F355 HydrophobicContact CD2-CE1 4.09Å; Y68-F355 HydrophobicContact CE1-CD1 4.41Å; Y68-F355 HydrophobicContact CE2-CD1 4.03Å; Y68-F355 AromaticContact CE2-CE1 3.75Å; Y68-F355 HydrophobicContact CE2-CE1 3.75Å; Y68-F355 AromaticContact CZ-CD1 3.87Å; Y68-L356 HydrophobicContact CD1-CD2 3.66Å; Y68-L356 HydrophobicContact CE1-CD2 3.49Å; Y68-L356 VanDerWaalsContact CE1-CD2 3.49Å; Y68-L356 HydrophobicContact CE1-CG 3.97Å; Y68-F359 HydrophobicContact CD1-CE2 4.14Å; Y68-F359 AromaticContact CD1-CZ 3.66Å; Y68-F359 HydrophobicContact CD1-CZ 3.66Å; Y68-F359 HydrophobicContact CD2-CZ 4.28Å; Y68-F359 HydrophobicContact CE1-CZ 4.38Å; Y68-F359 HydrophobicContact CG-CE2 4.2Å; Y68-F359 AromaticContact CG-CZ 3.59Å; Y68-F359 HydrophobicContact CG-CZ 3.59Å; Y68-Q366 CarbonylContact C-O 3.56Å; Y68-Q366 WeakPolarHBondContact CA-O 3.02Å; Y68-C367 HydrophobicContact CD1-CB 3.6Å; Y68-C367 HydrophobicContact CE1-CB 3.61Å; Y68-C367 WeakPolarHBondContact CE1-SG 3.46Å
69G96.4Very high92.2Very high0 Ų042.3 Ų42.30%019%0.191CC..EExtended strand (participates in β ladder)trans91.6-126.4-179.800000111.8V71 L257 Q366G69-V71 VanDerWaalsContact C-N 3.25Å; G69-V71 PolarHBondContact O-N 3.16Å; G69-L257 WeakPolarHBondContact CA-O 3.42Å; G69-Q366 PolarHBondContact N-O 2.65Å; G69-Q366 WeakPolarHBondContact O-CB 3.26Å; G69-Q366 PolarHBondContact O-OE1 3.36Å
70D96.2Very high92.4Very high25 Ų2541.3 Ų41.313%0.13419%0.186CC..  trans-80.872-177.9-59.9-44.5000110.4D72 F73 L257 K258 R259D70-D72 PolarHBondContact O-N 3.42Å; D70-F73 PolarHBondContact O-N 3.17Å; D70-L257 HydrophobicContact CB-CD2 4.14Å; D70-L257 PolarHBondContact N-O 3.34Å; D70-K258 VanDerWaalsContact CG-NZ 3.34Å; D70-K258 IonicContact OD1-NZ 3.77Å; D70-K258 PolarHBondContact OD1-NZ 2.78Å; D70-K258 WeakPolarHBondContact OD2-CA 3.3Å; D70-K258 VanDerWaalsContact OD2-CD 3.26Å; D70-K258 WeakPolarHBondContact OD2-CD 3.45Å; D70-K258 VanDerWaalsContact OD2-CE 3.28Å; D70-K258 WeakPolarHBondContact OD2-CE 3.49Å; D70-K258 IonicContact OD2-NZ 2.78Å; D70-K258 PolarHBondContact OD2-NZ 3.01Å; D70-R259 HydrophobicContact CB-CB 4.13Å; D70-R259 PolarHBondContact OD2-N 3.36Å
71V93.8Very high92.8Very high26 Ų2640.4 Ų40.416%0.15818%0.182CC..G310 helixtrans-66.9-14.4-176-61.80000113.4V67 G69 F73 I74 Q366 L368V67-V71 HydrophobicContact CG1-CG1 4.48Å; G69-V71 VanDerWaalsContact C-N 3.25Å; G69-V71 PolarHBondContact O-N 3.16Å; V71-F73 PolarHBondContact O-N 2.91Å; V71-F73 VanDerWaalsContact O-N 3.17Å; V71-I74 WeakPolarHBondContact O-CG1 3.5Å; V71-Q366 HydrophobicContact CG2-CB 4.33Å; V71-L368 HydrophobicContact CB-CB 3.8Å; V71-L368 HydrophobicContact CB-CD2 4.29Å; V71-L368 HydrophobicContact CG1-CB 3.65Å
72D93.2Very high93.1Very high56 Ų5640.4 Ų40.430%0.29918%0.182SC..G310 helixtrans-65.6-11.3174.271.1-47.4000112.9D70 I74 K75 R76D70-D72 PolarHBondContact O-N 3.42Å; D72-I74 PolarHBondContact O-N 3.17Å; D72-I74 VanDerWaalsContact O-N 3.08Å; D72-K75 WeakPolarHBondContact O-CB 3.32Å; D72-K75 PolarHBondContact O-N 3.32Å; D72-R76 IonicContact OD2-CZ 2.74Å; D72-R76 IonicContact OD2-NE 4Å; D72-R76 PolarHBondContact OD2-NE 3.26Å; D72-R76 VanDerWaalsContact OD2-NE 3.07Å; D72-R76 IonicContact OD2-NH2 3.04Å; D72-R76 PolarHBondContact OD2-NH2 3.16Å
73F92.2Very high93.4Very high0 Ų040.2 Ų40.20%018%0.181CC..G310 helixtrans-53-31.1177.293-81.9000113.5V67 D70 V71 K75 R76 L99 Q103 Y220 L257V67-F73 HydrophobicContact CB-CE1 4.44Å; V67-F73 HydrophobicContact CG1-CD1 4.38Å; V67-F73 HydrophobicContact CG1-CE1 3.78Å; V67-F73 HydrophobicContact CG2-CE1 4.34Å; D70-F73 PolarHBondContact O-N 3.17Å; V71-F73 PolarHBondContact O-N 2.91Å; V71-F73 VanDerWaalsContact O-N 3.17Å; F73-K75 PolarHBondContact O-N 3.49Å; F73-R76 WeakPolarHBondContact O-CB 3.36Å; F73-R76 PolarHBondContact O-N 3.32Å; F73-R76 VanDerWaalsContact O-N 3.15Å; F73-L99 HydrophobicContact CE2-CB 4.43Å; F73-L99 HydrophobicContact CE2-CD2 4.25Å; F73-L99 HydrophobicContact CZ-CD2 3.88Å; F73-Q103 PolarHBondContact O-NE2 2.94Å; F73-Y220 HydrophobicContact CB-CE2 3.9Å; F73-Y220 HydrophobicContact CD2-CE2 4.19Å; F73-Y220 HydrophobicContact CG-CE2 4.37Å; F73-L257 HydrophobicContact CB-CD1 4.33Å; F73-L257 HydrophobicContact CB-CD2 4.09Å; F73-L257 HydrophobicContact CD1-CD1 3.94Å; F73-L257 HydrophobicContact CD2-CD1 3.97Å; F73-L257 HydrophobicContact CE1-CD1 4.29Å; F73-L257 HydrophobicContact CE2-CD1 4.3Å; F73-L257 HydrophobicContact CG-CD1 3.78Å; F73-L257 HydrophobicContact CG-CD2 4.35Å; F73-L257 HydrophobicContact CZ-CD1 4.45Å
74I90.3Very high93.7Very high49 Ų4935.3 Ų35.325%0.25116%0.162SC..G310 helixtrans-65.4-26.717862.1160000112.9V71 D72 Y102 L368 L370V71-I74 WeakPolarHBondContact O-CG1 3.5Å; D72-I74 PolarHBondContact O-N 3.17Å; D72-I74 VanDerWaalsContact O-N 3.08Å; I74-Y102 HydrophobicContact CG2-CD1 4.43Å; I74-Y102 HydrophobicContact CG2-CG 4.5Å; I74-L368 HydrophobicContact CD1-CD2 3.58Å; I74-L368 HydrophobicContact CG1-CD2 4.13Å; I74-L368 HydrophobicContact CG2-CD2 4.11Å; I74-L370 HydrophobicContact CG2-CD2 3.97Å
75K91.5Very high94Very high171 Ų17132.6 Ų32.674%0.74315%0.151SC*.G310 helixtrans-83.9-19.2179.2-57.1-175.5-178.7176.20111D72 F73D72-K75 WeakPolarHBondContact O-CB 3.32Å; D72-K75 PolarHBondContact O-N 3.32Å; F73-K75 PolarHBondContact O-N 3.49Å
76R91.8Very high94.2Very high83 Ų8332.3 Ų32.331%0.31315%0.149SC..  trans-78.1135.2177.2-60.2178.7177.8-82.3-9.6109.2D72 F73 E79 Q103D72-R76 IonicContact OD2-CZ 2.74Å; D72-R76 IonicContact OD2-NE 4Å; D72-R76 PolarHBondContact OD2-NE 3.26Å; D72-R76 VanDerWaalsContact OD2-NE 3.07Å; D72-R76 IonicContact OD2-NH2 3.04Å; D72-R76 PolarHBondContact OD2-NH2 3.16Å; F73-R76 WeakPolarHBondContact O-CB 3.36Å; F73-R76 PolarHBondContact O-N 3.32Å; F73-R76 VanDerWaalsContact O-N 3.15Å; R76-E79 HydrophobicContact CB-CG 4.29Å; R76-E79 VanDerWaalsContact CD-OE2 3.31Å; R76-E79 WeakPolarHBondContact CD-OE2 3.35Å; R76-E79 IonicContact NH1-OE1 2.69Å; R76-Q103 WeakPolarHBondContact O-CG 3.48Å
77K89.9Confident94.4Very high119 Ų11934 Ų3452%0.51716%0.157SC..  trans-125.7152.2176.7-57.9-63.2176.1-176.60107.8E79 Y102K77-E79 PolarHBondContact O-N 3.37Å; K77-Y102 PolarHBondContact NZ-O 3.5Å
78N87.3Confident94.4Very high86 Ų8634.6 Ų34.646%0.4616%0.16SC..SBendtrans61.228.1166-72.4-42.9000115.1N158N78-N158 HydrophobicContact CB-CB 4.43Å; N78-N158 WeakPolarHBondContact CB-ND2 3.37Å; N78-N158 WeakPolarHBondContact O-CB 3.41Å; N78-N158 PolarHBondContact O-ND2 2.84Å; N78-N158 PolarHBondContact O-OD1 2.82Å; N78-N158 PolarHBondContact OD1-ND2 2.87Å
79E92.4Very high94.3Very high13 Ų1334.7 Ų34.76%0.06116%0.161CC..  trans-79.2148.8173.8-65-170.7119.500111.8R76 K77 V81 Q103 W160 D217 Y220 R259R76-E79 HydrophobicContact CB-CG 4.29Å; R76-E79 VanDerWaalsContact CD-OE2 3.31Å; R76-E79 WeakPolarHBondContact CD-OE2 3.35Å; R76-E79 IonicContact NH1-OE1 2.69Å; K77-E79 PolarHBondContact O-N 3.37Å; E79-V81 HydrophobicContact CB-CG2 3.65Å; E79-Q103 PolarHBondContact OE2-NE2 2.84Å; E79-W160 PolarHBondContact O-NE1 2.92Å; E79-D217 WeakPolarHBondContact CA-OD2 3.34Å; E79-D217 HydrophobicContact CB-CB 4.46Å; E79-Y220 PolarHBondContact OE2-OH 3.21Å; E79-R259 IonicContact OE1-CZ 3.71Å; E79-R259 IonicContact OE1-NE 2.66Å; E79-R259 PolarHBondContact OE1-NE 3.18Å; E79-R259 IonicContact OE1-NH2 3.52Å; E79-R259 PolarHBondContact OE1-NH2 3.09Å; E79-R259 IonicContact OE2-NE 3.43Å
80R94.1Very high94.1Very high44 Ų4440.9 Ų40.917%0.16619%0.188CC..  trans-93.2114.1165.1-69.9177.4-179.4-17314.5109Q156 S157 N158 T159 C215 L216 D217 A218R80-Q156 PolarHBondContact NH2-O 3.2Å; R80-S157 PolarHBondContact NE-O 2.81Å; R80-S157 VanDerWaalsContact NE-O 3.1Å; R80-N158 HydrophobicContact CG-CB 4.45Å; R80-T159 WeakPolarHBondContact CA-O 3.26Å; R80-C215 WeakPolarHBondContact CB-O 3.26Å; R80-C215 WeakPolarHBondContact CD-O 3.44Å; R80-L216 HydrophobicContact CB-CD2 4.32Å; R80-D217 PolarHBondContact N-OD2 3.03Å; R80-D217 PolarHBondContact O-N 2.66Å; R80-A218 PolarHBondContact O-N 2.64Å
81V95.5Very high93.9Very high0 Ų039.7 Ų39.70%018%0.182CC..EExtended strand (participates in β ladder)trans-126.4135.6-166.8174.20000111.2E79 T159 W160 M161 A218 Y220E79-V81 HydrophobicContact CB-CG2 3.65Å; V81-T159 PolarHBondContact N-O 3.24Å; V81-W160 HydrophobicContact CB-CD2 3.81Å; V81-W160 HydrophobicContact CB-CE3 4.38Å; V81-W160 HydrophobicContact CB-CG 4.04Å; V81-W160 HydrophobicContact CB-CZ2 4.13Å; V81-W160 HydrophobicContact CG1-CD2 4.11Å; V81-W160 HydrophobicContact CG1-CE3 4.16Å; V81-W160 HydrophobicContact CG1-CH2 4.4Å; V81-W160 HydrophobicContact CG1-CZ2 4.22Å; V81-W160 HydrophobicContact CG1-CZ3 4.38Å; V81-W160 HydrophobicContact CG2-CD2 4.35Å; V81-W160 HydrophobicContact CG2-CZ2 3.87Å; V81-W160 CarbonylContact O-C 3.58Å; V81-W160 WeakPolarHBondContact O-CA 3.39Å; V81-M161 PolarHBondContact O-N 2.99Å; V81-A218 WeakPolarHBondContact CA-O 3.48Å; V81-Y220 HydrophobicContact CB-CD1 4.39Å; V81-Y220 HydrophobicContact CG1-CD1 3.44Å; V81-Y220 VanDerWaalsContact CG1-CD1 3.44Å; V81-Y220 HydrophobicContact CG1-CD2 4.34Å; V81-Y220 HydrophobicContact CG1-CE1 4.11Å; V81-Y220 HydrophobicContact CG1-CG 3.58Å; V81-Y220 HydrophobicContact CG2-CD1 4.01Å; V81-Y220 HydrophobicContact CG2-CE1 3.8Å
82L97Very high93.9Very high0 Ų038.6 Ų38.60%018%0.175CC..EExtended strand (participates in β ladder)trans-90.7114.6158.4175.653.6000108.3I84 M161 I163 I205 I208 L209 L216 A218 L219 Y220L82-I84 HydrophobicContact CG-CG2 4.42Å; L82-M161 HydrophobicContact CD1-CB 4.31Å; L82-M161 HydrophobicContact CD1-CG 4.32Å; L82-M161 WeakPolarHBondContact CD1-O 3.25Å; L82-I163 HydrophobicContact CD1-CG2 3.77Å; L82-I205 HydrophobicContact CD2-CG2 4.3Å; L82-I208 HydrophobicContact CD1-CD1 4.16Å; L82-I208 HydrophobicContact CD1-CG2 4.1Å; L82-I208 HydrophobicContact CD2-CG2 4.2Å; L82-L209 HydrophobicContact CD2-CD2 3.82Å; L82-L209 HydrophobicContact CD2-CG 4.11Å; L82-L216 HydrophobicContact CB-CD1 4.05Å; L82-A218 PolarHBondContact N-O 3.04Å; L82-L219 HydrophobicContact CB-CG 4.49Å; L82-L219 HydrophobicContact CD2-CD1 3.96Å; L82-L219 HydrophobicContact CG-CD1 4.17Å; L82-L219 HydrophobicContact CG-CG 4.41Å; L82-L219 CarbonylContact O-C 3.49Å; L82-L219 VanDerWaalsContact O-CA 3.24Å; L82-L219 WeakPolarHBondContact O-CA 3.49Å; L82-Y220 PolarHBondContact O-N 2.84Å
83F97.5Very high93.7Very high3 Ų339.2 Ų39.21%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-98.5127.3179.3179.9-80.8000110.2C96 L99 W160 M161 V162 I163 V222F83-C96 HydrophobicContact CE1-CB 3.99Å; F83-C96 HydrophobicContact CE2-CB 4.47Å; F83-C96 HydrophobicContact CZ-CB 3.94Å; F83-L99 HydrophobicContact CE2-CD1 4.06Å; F83-L99 HydrophobicContact CZ-CD1 4.47Å; F83-W160 HydrophobicContact CB-CE3 4.16Å; F83-W160 HydrophobicContact CB-CZ3 4.49Å; F83-W160 HydrophobicContact CD2-CE3 4.05Å; F83-W160 AromaticContact CD2-CZ3 3.6Å; F83-W160 HydrophobicContact CD2-CZ3 3.6Å; F83-W160 HydrophobicContact CE2-CZ3 4.26Å; F83-W160 HydrophobicContact CG-CE3 4.48Å; F83-W160 HydrophobicContact CG-CZ3 4.45Å; F83-M161 PolarHBondContact N-O 2.77Å; F83-V162 HydrophobicContact CB-CG2 4.23Å; F83-V162 HydrophobicContact CD1-CG1 3.82Å; F83-V162 HydrophobicContact CE1-CG1 4.4Å; F83-I163 PolarHBondContact O-N 3.49Å; F83-V222 HydrophobicContact CD2-CG2 4.1Å; F83-V222 HydrophobicContact CE2-CB 3.93Å; F83-V222 HydrophobicContact CE2-CG1 4.39Å; F83-V222 HydrophobicContact CE2-CG2 3.42Å; F83-V222 VanDerWaalsContact CE2-CG2 3.42Å; F83-V222 HydrophobicContact CZ-CB 3.81Å; F83-V222 HydrophobicContact CZ-CG1 4.1Å; F83-V222 HydrophobicContact CZ-CG2 3.87Å
84I98.1Very high93.6Very high0 Ų039.2 Ų39.20%017%0.173CC..EExtended strand (participates in β ladder)trans-124.3142.5171.670.9173.8000110.2L82 I163 P165 I205 L219 Y220 D221 V222 W275 L276L82-I84 HydrophobicContact CG-CG2 4.42Å; I84-I163 WeakPolarHBondContact CA-O 3.46Å; I84-I163 HydrophobicContact CG2-CG2 3.78Å; I84-P165 HydrophobicContact CB-CG 4.07Å; I84-P165 HydrophobicContact CG2-CG 4.05Å; I84-I205 HydrophobicContact CG2-CD1 4.2Å; I84-I205 HydrophobicContact CG2-CG1 4.4Å; I84-L219 HydrophobicContact CD1-CD1 4.38Å; I84-L219 HydrophobicContact CD1-CD2 3.87Å; I84-L219 HydrophobicContact CG1-CD2 3.96Å; I84-L219 HydrophobicContact CG2-CD1 4.4Å; I84-Y220 PolarHBondContact N-O 3.23Å; I84-D221 HydrophobicContact CD1-CB 4.19Å; I84-D221 HydrophobicContact CG1-CB 4.05Å; I84-D221 WeakPolarHBondContact CG1-OD1 3.49Å; I84-V222 PolarHBondContact O-N 3.06Å; I84-W275 HydrophobicContact CD1-CH2 4.21Å; I84-W275 HydrophobicContact CD1-CZ3 4.38Å; I84-L276 HydrophobicContact CD1-CD1 4.27Å
85S98.1Very high93.6Very high2 Ų237 Ų371%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-149164.2174.9-1640000113.2V222 Y280S85-V222 WeakPolarHBondContact CA-O 3.05Å; S85-V222 WeakPolarHBondContact CB-O 3.45Å; S85-V222 PolarHBondContact OG-O 3.16Å; S85-Y280 PolarHBondContact O-OH 3.2Å
86N98Very high93.7Very high0 Ų028.9 Ų28.90%013%0.126CC..  trans-63.5142.116462.1-44.2000109.3L88 E166 V197 V222 T223 T224 K283N86-L88 VanDerWaalsContact ND2-CD1 3.29Å; N86-L88 WeakPolarHBondContact ND2-CD1 3.41Å; N86-E166 WeakPolarHBondContact CA-OE1 3.33Å; N86-V197 HydrophobicContact CB-CG1 4.23Å; N86-V222 PolarHBondContact N-O 3.42Å; N86-T223 WeakPolarHBondContact OD1-CA 3.2Å; N86-T224 PolarHBondContact ND2-O 3.47Å; N86-T224 PolarHBondContact OD1-N 2.86Å; N86-K283 HydrophobicContact CB-CD 4.34Å
87H97.3Very high93.8Very high35 Ų3525 Ų2516%0.16211%0.112CC..  trans-110.1110.2-174.4-160.220.9000109.9D92 Y164 E166 T168 R169 Y170H87-D92 WeakPolarHBondContact CA-OD2 3.44Å; H87-D92 IonicContact CE1-OD2 2.74Å; H87-D92 IonicContact CG-OD2 2.73Å; H87-D92 IonicContact ND1-OD2 3.16Å; H87-D92 PolarHBondContact ND1-OD2 3.25Å; H87-Y164 HydrophobicContact CB-CD1 3.64Å; H87-Y164 HydrophobicContact CB-CG 4.04Å; H87-Y164 AromaticContact CG-CD1 3.63Å; H87-Y164 AromaticContact CG-CG 3.7Å; H87-Y164 AromaticContact ND1-CD1 3.57Å; H87-Y164 AromaticContact ND1-CE1 3.88Å; H87-Y164 AromaticContact ND1-CG 3.76Å; H87-E166 HydrophobicContact CB-CB 4.49Å; H87-E166 PolarHBondContact N-OE1 3.27Å; H87-T168 VanDerWaalsContact CD2-C 3.49Å; H87-R169 VanDerWaalsContact CE1-CG 3.44Å; H87-R169 WeakPolarHBondContact CE1-CG 3.28Å; H87-R169 WeakPolarHBondContact NE2-CG 3.35Å; H87-R169 CarbonylContact O-C 3.59Å; H87-R169 VanDerWaalsContact O-CA 3.23Å; H87-R169 WeakPolarHBondContact O-CA 3.37Å; H87-Y170 PolarHBondContact O-N 3.37Å
88L96.4Very high93.8Very high13 Ų1319.3 Ų19.37%0.0689%0.087CC..  trans-119-41.1-171.3-63.6-177.9000111.8N86 D92 Y170 T224 F226 A240N86-L88 VanDerWaalsContact ND2-CD1 3.29Å; N86-L88 WeakPolarHBondContact ND2-CD1 3.41Å; L88-D92 PolarHBondContact N-OD2 2.92Å; L88-Y170 HydrophobicContact CD2-CD1 4.47Å; L88-T224 WeakPolarHBondContact CD1-O 3.4Å; L88-F226 HydrophobicContact CB-CD2 4.46Å; L88-F226 HydrophobicContact CB-CE2 3.72Å; L88-F226 HydrophobicContact CD1-CD2 3.7Å; L88-F226 HydrophobicContact CD1-CE2 3.55Å; L88-F226 HydrophobicContact CG-CE2 4.23Å; L88-A240 HydrophobicContact CB-CB 3.75Å
89S94.1Very high94Very high3 Ų315.2 Ų15.22%0.0217%0.065CC..  trans-144.3165.7-169.6-179.80000113.5A91 D92 P241 G242S89-A91 PolarHBondContact O-N 3.37Å; S89-A91 PolarHBondContact OG-N 2.97Å; S89-A91 VanDerWaalsContact OG-N 3.13Å; S89-D92 PolarHBondContact N-OD1 3.49Å; S89-D92 PolarHBondContact N-OD2 3.05Å; S89-D92 PolarHBondContact O-N 3.25Å; S89-D92 VanDerWaalsContact O-OD2 3.09Å; S89-P241 WeakPolarHBondContact CB-O 3.47Å; S89-P241 PolarHBondContact OG-O 3.41Å; S89-G242 WeakPolarHBondContact OG-CA 3.39Å
90K91.3Very high94Very high131 Ų13114.6 Ų14.657%0.576%0.062SC*.THydrogen-bonded Turntrans-62.7-10163.3-66.1-177.5-178.6177.70111.9W93K90-W93 PolarHBondContact O-NE1 3.34Å
91A91.4Very high93.9Very high0 Ų013.3 Ų13.30%06%0.061CC..THydrogen-bonded Turntrans-74.6-25.2174.200000113.7S89 W93 F94 I95 F226S89-A91 PolarHBondContact O-N 3.37Å; S89-A91 PolarHBondContact OG-N 2.97Å; S89-A91 VanDerWaalsContact OG-N 3.13Å; A91-W93 VanDerWaalsContact C-N 3.25Å; A91-W93 PolarHBondContact O-N 3.36Å; A91-W93 VanDerWaalsContact O-N 3.09Å; A91-F94 HydrophobicContact CB-CD1 3.92Å; A91-F94 HydrophobicContact CB-CE1 3.35Å; A91-F94 HydrophobicContact CB-CZ 4.19Å; A91-F94 WeakPolarHBondContact O-CD1 3.42Å; A91-F94 WeakPolarHBondContact O-CE1 3.36Å; A91-F94 WeakPolarHBondContact O-CG 3.39Å; A91-F94 PolarHBondContact O-N 3.33Å; A91-I95 HydrophobicContact CB-CD1 4.41Å; A91-I95 PolarHBondContact O-N 3.48Å; A91-F226 HydrophobicContact CB-CE1 3.97Å; A91-F226 HydrophobicContact CB-CZ 4.21Å
92D93.8Very high93.4Very high3 Ų315.6 Ų15.62%0.0167%0.07CC..Hα-helixtrans-59.5-35.3-164.9-54.5-12000113.3H87 L88 S89 F94 I95 C96 Y164H87-D92 WeakPolarHBondContact CA-OD2 3.44Å; H87-D92 IonicContact CE1-OD2 2.74Å; H87-D92 IonicContact CG-OD2 2.73Å; H87-D92 IonicContact ND1-OD2 3.16Å; H87-D92 PolarHBondContact ND1-OD2 3.25Å; L88-D92 PolarHBondContact N-OD2 2.92Å; S89-D92 PolarHBondContact N-OD1 3.49Å; S89-D92 PolarHBondContact N-OD2 3.05Å; S89-D92 PolarHBondContact O-N 3.25Å; S89-D92 VanDerWaalsContact O-OD2 3.09Å; D92-F94 VanDerWaalsContact C-N 3.34Å; D92-F94 PolarHBondContact O-N 2.61Å; D92-I95 PolarHBondContact O-N 3.26Å; D92-C96 PolarHBondContact O-N 2.86Å; D92-Y164 HydrophobicContact CB-CE1 3.75Å; D92-Y164 VanDerWaalsContact CB-OH 3.3Å; D92-Y164 WeakPolarHBondContact CB-OH 3.43Å; D92-Y164 PolarHBondContact O-OH 3.25Å; D92-Y164 VanDerWaalsContact O-OH 3.1Å
93W90.7Very high93Very high68 Ų6815.7 Ų15.726%0.2587%0.07SC..Hα-helixtrans-66.2-34.1179.171.4-91.1000112.7M50 F53 K90 A91 S97 F111M50-W93 HydrophobicContact CE-CE3 3.92Å; M50-W93 HydrophobicContact CE-CZ3 3.61Å; M50-W93 HydrophobicContact SD-CZ3 3.76Å; F53-W93 AromaticContact CD1-CH2 3.57Å; F53-W93 HydrophobicContact CD1-CH2 3.57Å; F53-W93 HydrophobicContact CD1-CZ2 4.16Å; F53-W93 AromaticContact CD1-CZ3 3.96Å; F53-W93 HydrophobicContact CD1-CZ3 3.96Å; F53-W93 AromaticContact CD2-CH2 3.33Å; F53-W93 HydrophobicContact CD2-CH2 3.33Å; F53-W93 AromaticContact CD2-CZ2 3.93Å; F53-W93 HydrophobicContact CD2-CZ2 3.93Å; F53-W93 HydrophobicContact CD2-CZ3 4.3Å; F53-W93 AromaticContact CE1-CH2 3.45Å; F53-W93 HydrophobicContact CE1-CH2 3.45Å; F53-W93 VanDerWaalsContact CE1-CH2 3.45Å; F53-W93 AromaticContact CE1-CZ2 3.55Å; F53-W93 HydrophobicContact CE1-CZ2 3.55Å; F53-W93 HydrophobicContact CE1-CZ3 4.09Å; F53-W93 AromaticContact CE2-CH2 3.22Å; F53-W93 HydrophobicContact CE2-CH2 3.22Å; F53-W93 AromaticContact CE2-CZ2 3.29Å; F53-W93 HydrophobicContact CE2-CZ2 3.29Å; F53-W93 HydrophobicContact CE2-CZ3 4.43Å; F53-W93 AromaticContact CG-CH2 3.52Å; F53-W93 HydrophobicContact CG-CH2 3.52Å; F53-W93 HydrophobicContact CG-CZ2 4.34Å; F53-W93 HydrophobicContact CG-CZ3 4.08Å; F53-W93 AromaticContact CZ-CH2 3.28Å; F53-W93 HydrophobicContact CZ-CH2 3.28Å; F53-W93 AromaticContact CZ-CZ2 3.05Å; F53-W93 HydrophobicContact CZ-CZ2 3.05Å; F53-W93 HydrophobicContact CZ-CZ3 4.32Å; K90-W93 PolarHBondContact O-NE1 3.34Å; A91-W93 VanDerWaalsContact C-N 3.25Å; A91-W93 PolarHBondContact O-N 3.36Å; A91-W93 VanDerWaalsContact O-N 3.09Å; W93-S97 WeakPolarHBondContact O-CB 3.44Å; W93-S97 PolarHBondContact O-N 2.74Å; W93-S97 PolarHBondContact O-OG 2.9Å; W93-F111 HydrophobicContact CB-CE1 4.02Å; W93-F111 HydrophobicContact CB-CZ 4.5Å
94F88.8Confident92.3Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-75.3-31.717689-109.9000111F53 F57 V62 A91 D92 C96 S97 M98 L243 W246F53-F94 HydrophobicContact CD1-CB 3.77Å; F53-F94 HydrophobicContact CE1-CB 3.39Å; F53-F94 HydrophobicContact CE1-CD1 4.16Å; F53-F94 AromaticContact CE1-CG 3.97Å; F53-F94 HydrophobicContact CE1-CG 3.97Å; F53-F94 HydrophobicContact CZ-CB 4.49Å; F57-F94 HydrophobicContact CB-CD1 4.32Å; F57-F94 HydrophobicContact CB-CD2 4.3Å; F57-F94 HydrophobicContact CB-CE1 4.43Å; F57-F94 HydrophobicContact CB-CE2 4.45Å; F57-F94 HydrophobicContact CB-CG 4.29Å; V62-F94 HydrophobicContact CG2-CE2 4.17Å; A91-F94 HydrophobicContact CB-CD1 3.92Å; A91-F94 HydrophobicContact CB-CE1 3.35Å; A91-F94 HydrophobicContact CB-CZ 4.19Å; A91-F94 WeakPolarHBondContact O-CD1 3.42Å; A91-F94 WeakPolarHBondContact O-CE1 3.36Å; A91-F94 WeakPolarHBondContact O-CG 3.39Å; A91-F94 PolarHBondContact O-N 3.33Å; D92-F94 VanDerWaalsContact C-N 3.34Å; D92-F94 PolarHBondContact O-N 2.61Å; F94-C96 VanDerWaalsContact C-N 3.35Å; F94-S97 CarbonylContact O-C 3.58Å; F94-S97 WeakPolarHBondContact O-CB 3.2Å; F94-S97 PolarHBondContact O-N 2.83Å; F94-M98 WeakPolarHBondContact O-CB 3.22Å; F94-M98 PolarHBondContact O-N 3.01Å; F94-L243 HydrophobicContact CD1-CD1 4.09Å; F94-L243 HydrophobicContact CE1-CD1 4.25Å; F94-W246 HydrophobicContact CE1-CD2 4.18Å; F94-W246 HydrophobicContact CE1-CG 4.47Å; F94-W246 HydrophobicContact CE1-CZ2 4.43Å; F94-W246 AromaticContact CZ-CD2 3.83Å; F94-W246 HydrophobicContact CZ-CD2 3.83Å; F94-W246 AromaticContact CZ-CE2 3.79Å; F94-W246 AromaticContact CZ-CE3 3.88Å; F94-W246 HydrophobicContact CZ-CE3 3.88Å; F94-W246 AromaticContact CZ-CH2 3.87Å; F94-W246 HydrophobicContact CZ-CH2 3.87Å; F94-W246 AromaticContact CZ-CZ2 3.8Å; F94-W246 HydrophobicContact CZ-CZ2 3.8Å; F94-W246 AromaticContact CZ-CZ3 3.91Å; F94-W246 HydrophobicContact CZ-CZ3 3.91Å
95I91.8Very high91.7Very high2 Ų218.2 Ų18.21%0.0110%0.096CC..Hα-helixtrans-65.1-42.1173.9-60172.9000109.8A91 D92 M98 L99 T224 F226 L253 I255A91-I95 HydrophobicContact CB-CD1 4.41Å; A91-I95 PolarHBondContact O-N 3.48Å; D92-I95 PolarHBondContact O-N 3.26Å; I95-M98 HydrophobicContact CG2-CE 4.25Å; I95-M98 VanDerWaalsContact O-CB 3.27Å; I95-M98 WeakPolarHBondContact O-CB 3.33Å; I95-M98 PolarHBondContact O-N 3.47Å; I95-L99 WeakPolarHBondContact O-CG 3.41Å; I95-L99 PolarHBondContact O-N 3.43Å; I95-L99 VanDerWaalsContact O-N 3.13Å; I95-T224 HydrophobicContact CD1-CG2 3.83Å; I95-T224 HydrophobicContact CG2-CG2 4.27Å; I95-F226 HydrophobicContact CD1-CE1 3.71Å; I95-F226 HydrophobicContact CD1-CZ 3.66Å; I95-L253 HydrophobicContact CD1-CD1 4.1Å; I95-L253 HydrophobicContact CD1-CD2 3.75Å; I95-L253 HydrophobicContact CG1-CD1 3.94Å; I95-L253 HydrophobicContact CG2-CD1 4.29Å; I95-I255 HydrophobicContact CG2-CD1 3.78Å
96C93.6Very high91.4Very high1 Ų118.2 Ų18.21%0.00710%0.096CC..Hα-helixtrans-59.9-49.1170.8-177.20000111.1F83 D92 F94 M98 L99 I100 V162F83-C96 HydrophobicContact CE1-CB 3.99Å; F83-C96 HydrophobicContact CE2-CB 4.47Å; F83-C96 HydrophobicContact CZ-CB 3.94Å; D92-C96 PolarHBondContact O-N 2.86Å; F94-C96 VanDerWaalsContact C-N 3.35Å; C96-M98 PolarHBondContact O-N 3.02Å; C96-L99 WeakPolarHBondContact O-CB 3.47Å; C96-L99 PolarHBondContact O-N 3.46Å; C96-L99 VanDerWaalsContact O-N 3.09Å; C96-I100 VanDerWaalsContact O-CG1 3.27Å; C96-I100 WeakPolarHBondContact O-CG1 3.31Å; C96-I100 PolarHBondContact O-N 3.44Å; C96-V162 WeakPolarHBondContact SG-CG2 3.34Å
97S92.6Very high91Very high1 Ų118.4 Ų18.41%0.00710%0.098CC..Hα-helixtrans-58-36.7177.9-57.50000112.7M50 W93 F94 I100 S101 L106M50-S97 WeakPolarHBondContact CE-OG 3.21Å; W93-S97 WeakPolarHBondContact O-CB 3.44Å; W93-S97 PolarHBondContact O-N 2.74Å; W93-S97 PolarHBondContact O-OG 2.9Å; F94-S97 CarbonylContact O-C 3.58Å; F94-S97 WeakPolarHBondContact O-CB 3.2Å; F94-S97 PolarHBondContact O-N 2.83Å; S97-I100 PolarHBondContact O-N 2.9Å; S97-S101 PolarHBondContact O-N 2.84Å; S97-L106 WeakPolarHBondContact O-CD1 3.26Å
98M91.1Very high90.8Very high0 Ų019.8 Ų19.80%010%0.102CC..Hα-helixtrans-62.1-48.5175.7-171.9-175.474.800110.9L54 V62 I65 F94 I95 C96 S101 Y102 L253 I255 F373L54-M98 HydrophobicContact CD2-CB 3.86Å; L54-M98 HydrophobicContact CD2-CG 4.38Å; V62-M98 HydrophobicContact CG2-SD 4.42Å; I65-M98 HydrophobicContact CB-CE 4.49Å; I65-M98 HydrophobicContact CD1-CE 3.49Å; I65-M98 VanDerWaalsContact CD1-CE 3.49Å; I65-M98 HydrophobicContact CD1-CG 4.31Å; I65-M98 HydrophobicContact CD1-SD 3.3Å; I65-M98 WeakPolarHBondContact CD1-SD 3.23Å; I65-M98 HydrophobicContact CG1-CE 3.83Å; I65-M98 HydrophobicContact CG1-SD 4.04Å; I65-M98 HydrophobicContact CG2-CE 3.85Å; F94-M98 WeakPolarHBondContact O-CB 3.22Å; F94-M98 PolarHBondContact O-N 3.01Å; I95-M98 HydrophobicContact CG2-CE 4.25Å; I95-M98 VanDerWaalsContact O-CB 3.27Å; I95-M98 WeakPolarHBondContact O-CB 3.33Å; I95-M98 PolarHBondContact O-N 3.47Å; C96-M98 PolarHBondContact O-N 3.02Å; M98-S101 WeakPolarHBondContact O-CB 3.37Å; M98-S101 PolarHBondContact O-N 3.27Å; M98-S101 PolarHBondContact O-OG 3.19Å; M98-Y102 VanDerWaalsContact O-CD2 3.27Å; M98-Y102 WeakPolarHBondContact O-CD2 3.34Å; M98-L253 HydrophobicContact CE-CD1 3.89Å; M98-L253 HydrophobicContact SD-CD1 4.33Å; M98-I255 HydrophobicContact CE-CD1 3.75Å; M98-F373 HydrophobicContact CB-CZ 4.37Å; M98-F373 HydrophobicContact CG-CE1 4.5Å; M98-F373 HydrophobicContact CG-CE2 3.34Å; M98-F373 HydrophobicContact CG-CZ 3.19Å; M98-F373 HydrophobicContact SD-CE2 3.76Å; M98-F373 HydrophobicContact SD-CZ 4.15Å
99L91.7Very high90.6Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-62.7-42175-64174000111.8V67 F73 F83 I95 C96 S101 Y102 V222 I255V67-L99 HydrophobicContact CG2-CD2 4.45Å; F73-L99 HydrophobicContact CE2-CB 4.43Å; F73-L99 HydrophobicContact CE2-CD2 4.25Å; F73-L99 HydrophobicContact CZ-CD2 3.88Å; F83-L99 HydrophobicContact CE2-CD1 4.06Å; F83-L99 HydrophobicContact CZ-CD1 4.47Å; I95-L99 WeakPolarHBondContact O-CG 3.41Å; I95-L99 PolarHBondContact O-N 3.43Å; I95-L99 VanDerWaalsContact O-N 3.13Å; C96-L99 WeakPolarHBondContact O-CB 3.47Å; C96-L99 PolarHBondContact O-N 3.46Å; C96-L99 VanDerWaalsContact O-N 3.09Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.04Å; L99-Y102 WeakPolarHBondContact O-CB 3.26Å; L99-Y102 PolarHBondContact O-N 2.75Å; L99-V222 HydrophobicContact CD1-CG1 4.31Å; L99-I255 HydrophobicContact CD1-CD1 4.3Å; L99-I255 HydrophobicContact CD1-CG2 4Å; L99-I255 HydrophobicContact CD2-CD1 3.88Å; L99-I255 HydrophobicContact CD2-CG2 4.36Å; L99-I255 HydrophobicContact CG-CD1 4.26Å
100I92Very high90.6Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-62.5-33.8177.9-65.5169.8000111.7C96 S97 Y102 Q103 G104 V105 L106 T109 W160 V162C96-I100 VanDerWaalsContact O-CG1 3.27Å; C96-I100 WeakPolarHBondContact O-CG1 3.31Å; C96-I100 PolarHBondContact O-N 3.44Å; S97-I100 PolarHBondContact O-N 2.9Å; I100-Y102 PolarHBondContact O-N 2.89Å; I100-Q103 PolarHBondContact O-N 3.08Å; I100-G104 PolarHBondContact O-N 3.37Å; I100-V105 HydrophobicContact CG2-CG2 3.88Å; I100-L106 HydrophobicContact CB-CD1 4.19Å; I100-L106 HydrophobicContact CG2-CB 4.5Å; I100-L106 HydrophobicContact CG2-CD1 4.13Å; I100-T109 HydrophobicContact CD1-CG2 3.44Å; I100-T109 VanDerWaalsContact CD1-CG2 3.44Å; I100-T109 WeakPolarHBondContact CD1-OG1 3.47Å; I100-W160 HydrophobicContact CD1-CB 3.89Å; I100-W160 HydrophobicContact CD1-CD2 3.96Å; I100-W160 HydrophobicContact CD1-CE3 3.58Å; I100-W160 HydrophobicContact CD1-CG 4.12Å; I100-W160 HydrophobicContact CD1-CZ3 4.3Å; I100-W160 HydrophobicContact CG1-CB 4.38Å; I100-W160 HydrophobicContact CG1-CD2 3.55Å; I100-W160 HydrophobicContact CG1-CE3 3.2Å; I100-W160 HydrophobicContact CG1-CG 4.07Å; I100-W160 HydrophobicContact CG1-CH2 4.27Å; I100-W160 HydrophobicContact CG1-CZ3 3.54Å; I100-V162 HydrophobicContact CD1-CG2 4.39Å
101S90.5Very high90.7Very high18 Ų1813.7 Ų13.713%0.1267%0.074CC..Hα-helixtrans-58.6-32.4179.679.80000112.4S97 M98 L99 Q103 G104S97-S101 PolarHBondContact O-N 2.84Å; M98-S101 WeakPolarHBondContact O-CB 3.37Å; M98-S101 PolarHBondContact O-N 3.27Å; M98-S101 PolarHBondContact O-OG 3.19Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.04Å; S101-Q103 VanDerWaalsContact C-N 3.26Å; S101-Q103 PolarHBondContact O-N 2.72Å; S101-G104 PolarHBondContact O-N 2.84Å
102Y86.9Confident90.9Very high48 Ų4815.1 Ų15.119%0.1888%0.083CC..THydrogen-bonded Turntrans-68.1-22.1174.2-71-84.6000113.2I74 K77 M98 L99 I100 L370 E371 F373I74-Y102 HydrophobicContact CG2-CD1 4.43Å; I74-Y102 HydrophobicContact CG2-CG 4.5Å; K77-Y102 PolarHBondContact NZ-O 3.5Å; M98-Y102 VanDerWaalsContact O-CD2 3.27Å; M98-Y102 WeakPolarHBondContact O-CD2 3.34Å; L99-Y102 WeakPolarHBondContact O-CB 3.26Å; L99-Y102 PolarHBondContact O-N 2.75Å; I100-Y102 PolarHBondContact O-N 2.89Å; Y102-L370 HydrophobicContact CD2-CD1 4.44Å; Y102-L370 HydrophobicContact CE1-CD2 4.33Å; Y102-L370 HydrophobicContact CE2-CD1 3.73Å; Y102-E371 PolarHBondContact OH-O 3.41Å; Y102-F373 AromaticContact CE2-CE1 3.71Å; Y102-F373 HydrophobicContact CE2-CE1 3.71Å; Y102-F373 AromaticContact CE2-CZ 3.82Å; Y102-F373 HydrophobicContact CE2-CZ 3.82Å; Y102-F373 AromaticContact CZ-CE1 3.71Å; Y102-F373 WeakPolarHBondContact OH-CE1 3.46Å
103Q87.3Confident90.9Very high1 Ų116.1 Ų16.11%0.0059%0.088CC..THydrogen-bonded Turntrans-92.4-7.4176.6-67.4-148.5-22.500114.5F73 R76 E79 I100 S101 V105 W160 Y220F73-Q103 PolarHBondContact O-NE2 2.94Å; R76-Q103 WeakPolarHBondContact O-CG 3.48Å; E79-Q103 PolarHBondContact OE2-NE2 2.84Å; I100-Q103 PolarHBondContact O-N 3.08Å; S101-Q103 VanDerWaalsContact C-N 3.26Å; S101-Q103 PolarHBondContact O-N 2.72Å; Q103-V105 HydrophobicContact CB-CG2 4.17Å; Q103-W160 HydrophobicContact CG-CZ2 4.07Å; Q103-W160 VanDerWaalsContact OE1-CE2 3.26Å; Q103-Y220 PolarHBondContact NE2-OH 3.35Å
104G83Confident90.9Very high53 Ų5316.5 Ų16.555%0.5469%0.093SC..THydrogen-bonded Turntrans7912.4176.600000115.5I100 S101I100-G104 PolarHBondContact O-N 3.37Å; S101-G104 PolarHBondContact O-N 2.84Å
105V85.6Confident91Very high4 Ų420.1 Ų20.12%0.02411%0.108CC..  trans-117.828.4-173.6-63.40000113.7I100 Q103 G107 R108 N158 W160I100-V105 HydrophobicContact CG2-CG2 3.88Å; Q103-V105 HydrophobicContact CB-CG2 4.17Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 2.84Å; V105-G107 VanDerWaalsContact O-N 3.16Å; V105-R108 HydrophobicContact CB-CB 4.38Å; V105-R108 WeakPolarHBondContact O-CA 3.37Å; V105-R108 WeakPolarHBondContact O-CB 3.5Å; V105-R108 PolarHBondContact O-N 3.28Å; V105-N158 HydrophobicContact CG1-CB 4.17Å; V105-W160 HydrophobicContact CG2-CG 4.5Å
106L90.8Very high91Very high2 Ų224.3 Ų24.31%0.0113%0.131CC..G310 helixtrans-55.4-38.4-172.9-166.961.9000114.3M50 R51 L54 S97 I100 R108 T109M50-L106 HydrophobicContact CB-CD1 4.23Å; M50-L106 HydrophobicContact CB-CD2 3.46Å; M50-L106 VanDerWaalsContact CB-CD2 3.46Å; M50-L106 HydrophobicContact CB-CG 3.63Å; M50-L106 HydrophobicContact CG-CG 4.42Å; R51-L106 HydrophobicContact CG-CD2 3.83Å; L54-L106 HydrophobicContact CD1-CD2 3.87Å; S97-L106 WeakPolarHBondContact O-CD1 3.26Å; I100-L106 HydrophobicContact CB-CD1 4.19Å; I100-L106 HydrophobicContact CG2-CB 4.5Å; I100-L106 HydrophobicContact CG2-CD1 4.13Å; L106-R108 PolarHBondContact O-N 2.96Å; L106-T109 PolarHBondContact O-N 2.79Å; L106-T109 PolarHBondContact O-OG1 3.13Å
107G91.6Very high90.9Very high4 Ų427.8 Ų27.84%0.04115%0.149CC..G310 helixtrans-67.4-12.217600000115.3E43 V105 R110E43-G107 VanDerWaalsContact O-CA 3.25Å; E43-G107 WeakPolarHBondContact O-CA 3.49Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 2.84Å; V105-G107 VanDerWaalsContact O-N 3.16Å; G107-R110 PolarHBondContact O-NH1 3.14Å; G107-R110 VanDerWaalsContact O-NH1 3.1Å
108R92.2Very high90.9Very high63 Ų6329 Ų2924%0.23815%0.154CC..G310 helixtrans-10618.7-178.2-58.5174.6179163.11112E43 V105 L106 N158 T159 W160E43-R108 HydrophobicContact CG-CG 4.25Å; E43-R108 WeakPolarHBondContact OE2-CG 3.4Å; E43-R108 IonicContact OE2-CZ 3.51Å; E43-R108 IonicContact OE2-NE 2.89Å; E43-R108 PolarHBondContact OE2-NE 3.13Å; E43-R108 IonicContact OE2-NH2 3.34Å; V105-R108 HydrophobicContact CB-CB 4.38Å; V105-R108 WeakPolarHBondContact O-CA 3.37Å; V105-R108 WeakPolarHBondContact O-CB 3.5Å; V105-R108 PolarHBondContact O-N 3.28Å; L106-R108 PolarHBondContact O-N 2.96Å; R108-N158 WeakPolarHBondContact CB-O 3.39Å; R108-N158 WeakPolarHBondContact CD-O 3.26Å; R108-N158 PolarHBondContact NH1-ND2 3.23Å; R108-T159 WeakPolarHBondContact O-CA 3.04Å; R108-T159 WeakPolarHBondContact O-CG2 3.25Å; R108-W160 PolarHBondContact O-N 3.46Å
109T92.9Very high91Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-79.7128173.3-45.30000108.7I100 L106 F111 V162I100-T109 HydrophobicContact CD1-CG2 3.44Å; I100-T109 VanDerWaalsContact CD1-CG2 3.44Å; I100-T109 WeakPolarHBondContact CD1-OG1 3.47Å; L106-T109 PolarHBondContact O-N 2.79Å; L106-T109 PolarHBondContact O-OG1 3.13Å; T109-F111 HydrophobicContact CG2-CD2 4.25Å; T109-F111 HydrophobicContact CG2-CE1 3.94Å; T109-F111 HydrophobicContact CG2-CE2 3.54Å; T109-F111 HydrophobicContact CG2-CZ 3.36Å; T109-V162 HydrophobicContact CG2-CG2 3.64Å
110R93.5Very high91.1Very high6 Ų635.2 Ų35.22%0.02318%0.184CC..EExtended strand (participates in β ladder)trans-119.3142.1173.4-59.3-64.7178.1-97.2-2.2108G107 D130 I152 T159 W160 M161 V162G107-R110 PolarHBondContact O-NH1 3.14Å; G107-R110 VanDerWaalsContact O-NH1 3.1Å; R110-D130 WeakPolarHBondContact CD-O 3.44Å; R110-D130 IonicContact CZ-OD1 3.14Å; R110-D130 IonicContact CZ-OD2 3.41Å; R110-D130 PolarHBondContact NE-O 3.22Å; R110-D130 IonicContact NE-OD1 2.84Å; R110-D130 IonicContact NE-OD2 2.77Å; R110-D130 IonicContact NH1-OD1 3.54Å; R110-D130 PolarHBondContact NH1-OD1 3.42Å; R110-D130 IonicContact NH1-OD2 2.88Å; R110-D130 PolarHBondContact NH1-OD2 2.99Å; R110-D130 IonicContact NH2-OD1 2.65Å; R110-I152 HydrophobicContact CB-CD1 4.3Å; R110-I152 HydrophobicContact CG-CD1 4.08Å; R110-I152 HydrophobicContact CG-CG1 4.46Å; R110-T159 HydrophobicContact CB-CG2 4.1Å; R110-T159 HydrophobicContact CG-CG2 3.6Å; R110-W160 PolarHBondContact N-O 2.64Å; R110-M161 HydrophobicContact CB-CE 3.66Å; R110-M161 HydrophobicContact CB-SD 4.09Å; R110-M161 WeakPolarHBondContact O-CE 3.3Å; R110-V162 PolarHBondContact O-N 3.42Å
111F93.9Very high91.1Very high14 Ų1438.5 Ų38.56%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-118.3142.3-176.7-63.8-86.8000111.5F46 M50 W93 T109 L113 I133 M161 V162F46-F111 HydrophobicContact CZ-CE2 4.28Å; M50-F111 HydrophobicContact CE-CZ 4.46Å; W93-F111 HydrophobicContact CB-CE1 4.02Å; W93-F111 HydrophobicContact CB-CZ 4.5Å; T109-F111 HydrophobicContact CG2-CD2 4.25Å; T109-F111 HydrophobicContact CG2-CE1 3.94Å; T109-F111 HydrophobicContact CG2-CE2 3.54Å; T109-F111 HydrophobicContact CG2-CZ 3.36Å; F111-L113 HydrophobicContact CB-CD1 4.32Å; F111-L113 HydrophobicContact CB-CD2 3.44Å; F111-L113 VanDerWaalsContact CB-CD2 3.44Å; F111-L113 HydrophobicContact CB-CG 3.66Å; F111-L113 HydrophobicContact CG-CD2 4.23Å; F111-I133 PolarHBondContact O-N 3.48Å; F111-M161 VanDerWaalsContact C-CE 3.48Å; F111-V162 HydrophobicContact CD1-CB 3.61Å; F111-V162 HydrophobicContact CD1-CG1 3.76Å; F111-V162 HydrophobicContact CD1-CG2 4.11Å; F111-V162 HydrophobicContact CE1-CB 3.91Å; F111-V162 HydrophobicContact CE1-CG1 3.9Å; F111-V162 HydrophobicContact CE1-CG2 3.95Å; F111-V162 HydrophobicContact CG-CB 4.44Å
112V94.7Very high91.2Very high30 Ų3037.9 Ų37.918%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-84.1110.7158.7-176.40000107.7I133 V135 M161 V162 I163 I208V112-I133 CarbonylContact C-O 3.42Å; V112-I133 WeakPolarHBondContact CA-O 3.24Å; V112-V135 HydrophobicContact CG1-CB 4.48Å; V112-V135 HydrophobicContact CG1-CG2 3.35Å; V112-M161 HydrophobicContact CG2-CE 3.85Å; V112-V162 PolarHBondContact N-O 3.28Å; V112-I163 HydrophobicContact CB-CB 4.14Å; V112-I163 HydrophobicContact CB-CD1 4.38Å; V112-I163 HydrophobicContact CB-CG1 3.96Å; V112-I163 HydrophobicContact CG1-CD1 4.28Å; V112-I163 HydrophobicContact CG1-CG1 4.2Å; V112-I163 HydrophobicContact CG2-CB 3.85Å; V112-I163 HydrophobicContact CG2-CD1 4.07Å; V112-I163 HydrophobicContact CG2-CG1 3.96Å; V112-I208 HydrophobicContact CG2-CD1 3.95Å
113L93.2Very high91.3Very high24 Ų2437.8 Ų37.813%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-112.7149.1-168.6-63.9176.7000111.5F111 L117 L127 C132 I133 F134 V135F111-L113 HydrophobicContact CB-CD1 4.32Å; F111-L113 HydrophobicContact CB-CD2 3.44Å; F111-L113 VanDerWaalsContact CB-CD2 3.44Å; F111-L113 HydrophobicContact CB-CG 3.66Å; F111-L113 HydrophobicContact CG-CD2 4.23Å; L113-L117 HydrophobicContact CB-CD1 4.06Å; L113-L117 HydrophobicContact CD2-CD1 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.47Å; L113-L127 HydrophobicContact CD1-CB 4.44Å; L113-L127 HydrophobicContact CD1-CD1 3.82Å; L113-C132 HydrophobicContact CD1-CB 3.84Å; L113-I133 PolarHBondContact N-O 3.38Å; L113-F134 HydrophobicContact CB-CD1 3.96Å; L113-F134 HydrophobicContact CB-CE1 4.15Å; L113-F134 HydrophobicContact CD1-CD1 4.46Å; L113-F134 HydrophobicContact CD1-CE1 3.85Å; L113-F134 HydrophobicContact CD1-CZ 4.32Å; L113-F134 CarbonylContact O-C 3.59Å; L113-F134 WeakPolarHBondContact O-CA 3.25Å; L113-V135 PolarHBondContact O-N 3.43Å
114H92Very high91.5Very high76 Ų7637.8 Ų37.835%0.35220%0.201SC..EExtended strand (participates in β ladder)trans-65.7137.6169.4-175.9-90.4000110.8N116 L117H114-N116 PolarHBondContact ND1-N 3.4Å; H114-N116 PolarHBondContact O-N 3.17Å; H114-L117 HydrophobicContact CB-CD1 4.37Å; H114-L117 HydrophobicContact CB-CG 4.47Å; H114-L117 WeakPolarHBondContact O-CB 3.22Å; H114-L117 PolarHBondContact O-N 3.1Å
115K91.2Very high92.1Very high75 Ų7536.4 Ų36.433%0.32618%0.18SC..G310 helixtrans-47.4-41.8-175.779.6-174.9-178.3175.40114.2L117 K118 V135 D136K115-L117 PolarHBondContact O-N 3.3Å; K115-L117 VanDerWaalsContact O-N 3.12Å; K115-K118 WeakPolarHBondContact O-CG 3.38Å; K115-K118 PolarHBondContact O-N 3.35Å; K115-K118 VanDerWaalsContact O-N 3.16Å; K115-V135 PolarHBondContact N-O 3.31Å; K115-D136 HydrophobicContact CB-CB 4.47Å; K115-D136 HydrophobicContact CD-CB 3.71Å; K115-D136 VanDerWaalsContact CD-OD2 3.24Å; K115-D136 WeakPolarHBondContact CD-OD2 3.44Å; K115-D136 WeakPolarHBondContact CE-OD2 3.48Å; K115-D136 VanDerWaalsContact NZ-CG 3.31Å; K115-D136 IonicContact NZ-OD1 2.9Å; K115-D136 PolarHBondContact NZ-OD1 3.1Å; K115-D136 IonicContact NZ-OD2 3.37Å; K115-D136 PolarHBondContact NZ-OD2 3.04Å
116N91.9Very high92.4Very high91 Ų9136.3 Ų36.349%0.48718%0.179SC..G310 helixtrans-66.9-16.3-176-65.5-7.4000113.5H114 K118 Y119H114-N116 PolarHBondContact ND1-N 3.4Å; H114-N116 PolarHBondContact O-N 3.17Å; N116-K118 PolarHBondContact O-N 3.27Å; N116-Y119 PolarHBondContact O-N 3.35Å; N116-Y119 VanDerWaalsContact O-N 3.14Å
117L91.7Very high92.4Very high73 Ų7336.7 Ų36.738%0.38218%0.181SC..G310 helixtrans-66.3-22.2176.3-69.8173.5000112.3L113 H114 K115 Y119 T120 G124L113-L117 HydrophobicContact CB-CD1 4.06Å; L113-L117 HydrophobicContact CD2-CD1 3.85Å; L113-L117 HydrophobicContact CG-CD1 4.47Å; H114-L117 HydrophobicContact CB-CD1 4.37Å; H114-L117 HydrophobicContact CB-CG 4.47Å; H114-L117 WeakPolarHBondContact O-CB 3.22Å; H114-L117 PolarHBondContact O-N 3.1Å; K115-L117 PolarHBondContact O-N 3.3Å; K115-L117 VanDerWaalsContact O-N 3.12Å; L117-Y119 PolarHBondContact O-N 2.91Å; L117-T120 WeakPolarHBondContact O-CB 3.28Å; L117-T120 PolarHBondContact O-N 2.87Å; L117-T120 VanDerWaalsContact O-N 3.13Å; L117-T120 PolarHBondContact O-OG1 3.36Å; L117-G124 WeakPolarHBondContact O-CA 3.42Å
118K91.6Very high92.3Very high27 Ų2737.4 Ų37.412%0.11719%0.186CC..G310 helixtrans-62-22.8173.182.3-172.8-179.3159.50113.1K115 N116 G124 F134 V419 I423K115-K118 WeakPolarHBondContact O-CG 3.38Å; K115-K118 PolarHBondContact O-N 3.35Å; K115-K118 VanDerWaalsContact O-N 3.16Å; N116-K118 PolarHBondContact O-N 3.27Å; K118-G124 CarbonylContact O-C 3.55Å; K118-G124 VanDerWaalsContact O-C 3.26Å; K118-G124 WeakPolarHBondContact O-CA 3.26Å; K118-F134 HydrophobicContact CB-CD1 3.94Å; K118-F134 HydrophobicContact CB-CE1 3.64Å; K118-F134 HydrophobicContact CB-CE2 4.35Å; K118-F134 HydrophobicContact CB-CG 4.41Å; K118-F134 HydrophobicContact CB-CZ 3.86Å; K118-V419 HydrophobicContact CB-CB 4.15Å; K118-V419 HydrophobicContact CB-CG1 4.33Å; K118-V419 HydrophobicContact CB-CG2 4.43Å; K118-V419 HydrophobicContact CD-CB 4.16Å; K118-V419 WeakPolarHBondContact CE-O 3.38Å; K118-V419 HydrophobicContact CG-CB 3.95Å; K118-V419 HydrophobicContact CG-CG2 4Å; K118-V419 PolarHBondContact NZ-O 2.81Å; K118-V419 WeakPolarHBondContact O-CG2 3.46Å; K118-I423 HydrophobicContact CD-CG2 4.24Å; K118-I423 VanDerWaalsContact NZ-C 3.31Å; K118-I423 PolarHBondContact NZ-O 2.83Å; K118-I423 PolarHBondContact NZ-OXT 3.35Å
119Y93.8Very high92.2Very high80 Ų8036.3 Ų36.331%0.31418%0.183SC..G310 helixtrans-90.52.9178.2-61.9-70.8000114.4N116 L117 Q416 V419 H420N116-Y119 PolarHBondContact O-N 3.35Å; N116-Y119 VanDerWaalsContact O-N 3.14Å; L117-Y119 PolarHBondContact O-N 2.91Å; Y119-Q416 PolarHBondContact O-NE2 3.33Å; Y119-V419 HydrophobicContact CD1-CG2 3.77Å; Y119-V419 HydrophobicContact CE1-CG2 3.84Å; Y119-H420 HydrophobicContact CE1-CB 4.22Å; Y119-H420 PolarHBondContact OH-ND1 3.27Å
120T92.4Very high91.7Very high51 Ų5136.5 Ų36.531%0.31318%0.184SC..SBendtrans-59.6127.8173.7-520000108.9L117 I122 F123 G124L117-T120 WeakPolarHBondContact O-CB 3.28Å; L117-T120 PolarHBondContact O-N 2.87Å; L117-T120 VanDerWaalsContact O-N 3.13Å; L117-T120 PolarHBondContact O-OG1 3.36Å; T120-I122 PolarHBondContact O-N 3.43Å; T120-F123 HydrophobicContact CG2-CB 4.06Å; T120-G124 WeakPolarHBondContact O-CA 3.44Å; T120-G124 PolarHBondContact O-N 2.89Å
121P92.2Very high91.3Very high68 Ų6837.6 Ų37.644%0.44219%0.193SC..THydrogen-bonded Turntrans-50.5123.4-177-29.635.8000112.1F123 T412P121-F123 PolarHBondContact O-N 2.88Å; P121-T412 HydrophobicContact CB-CG2 3.81Å; P121-T412 HydrophobicContact CG-CG2 4.29Å
122I92.6Very high91.1Very high6 Ų637.3 Ų37.33%0.03119%0.192CC..THydrogen-bonded Turntrans61.6-52.7-176.5-59.8172000114.3P18 L21 T120 G124 F125 Y126P18-I122 HydrophobicContact CB-CD1 4.31Å; P18-I122 HydrophobicContact CG-CD1 3.88Å; L21-I122 HydrophobicContact CB-CG2 3.72Å; L21-I122 HydrophobicContact CD1-CG2 4.36Å; L21-I122 HydrophobicContact CD2-CG1 4.41Å; L21-I122 HydrophobicContact CD2-CG2 4.13Å; L21-I122 HydrophobicContact CG-CG2 4.29Å; T120-I122 PolarHBondContact O-N 3.43Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.28Å; I122-F125 WeakPolarHBondContact O-CB 3.49Å; I122-F125 PolarHBondContact O-N 3.46Å; I122-Y126 PolarHBondContact O-N 3.04Å
123F90Very high90.9Very high46 Ų4636.3 Ų36.320%0.20219%0.186CC..Hα-helixtrans-64.1-34.1-175.4-167-113.3000112.8F49 T120 P121 Y126 L127F49-F123 HydrophobicContact CD1-CE2 4.18Å; F49-F123 HydrophobicContact CE1-CD2 4.4Å; F49-F123 AromaticContact CE1-CE2 3.51Å; F49-F123 HydrophobicContact CE1-CE2 3.51Å; F49-F123 AromaticContact CE1-CZ 3.97Å; F49-F123 HydrophobicContact CE1-CZ 3.97Å; F49-F123 HydrophobicContact CZ-CE2 4.12Å; T120-F123 HydrophobicContact CG2-CB 4.06Å; P121-F123 PolarHBondContact O-N 2.88Å; F123-Y126 HydrophobicContact CD2-CD1 4.42Å; F123-Y126 HydrophobicContact CE2-CD1 4.34Å; F123-Y126 PolarHBondContact O-N 3.23Å; F123-L127 HydrophobicContact CD1-CD1 3.55Å; F123-L127 HydrophobicContact CD1-CG 3.99Å; F123-L127 HydrophobicContact CE1-CD1 3.33Å; F123-L127 HydrophobicContact CE1-CD2 4.07Å; F123-L127 HydrophobicContact CE1-CG 3.75Å; F123-L127 HydrophobicContact CE2-CD2 4.5Å; F123-L127 HydrophobicContact CE2-CG 4.46Å; F123-L127 HydrophobicContact CG-CD1 4.44Å; F123-L127 HydrophobicContact CG-CG 4.47Å; F123-L127 HydrophobicContact CZ-CD1 4.05Å; F123-L127 HydrophobicContact CZ-CD2 3.91Å; F123-L127 HydrophobicContact CZ-CG 3.99Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 VanDerWaalsContact O-CG 3.28Å; F123-L127 WeakPolarHBondContact O-CG 3.22Å; F123-L127 PolarHBondContact O-N 2.86Å
124G91.7Very high90.8Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-66.2-38.3176.700000112.6L117 K118 T120 I122 S128L117-G124 WeakPolarHBondContact O-CA 3.42Å; K118-G124 CarbonylContact O-C 3.55Å; K118-G124 VanDerWaalsContact O-C 3.26Å; K118-G124 WeakPolarHBondContact O-CA 3.26Å; T120-G124 WeakPolarHBondContact O-CA 3.44Å; T120-G124 PolarHBondContact O-N 2.89Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.28Å; G124-S128 PolarHBondContact O-N 3.49Å
125F93.7Very high90.7Very high25 Ų2535.3 Ų35.311%0.1118%0.182CC..Hα-helixtrans-64.7-48.8168.7167.9-98.1000111.1L21 W24 I122 L127 S128 Q129 Y418 V419L21-F125 HydrophobicContact CD1-CD1 4.04Å; L21-F125 HydrophobicContact CD1-CE1 4.01Å; W24-F125 HydrophobicContact CE3-CE1 4.13Å; W24-F125 AromaticContact CH2-CE1 3.69Å; W24-F125 HydrophobicContact CH2-CE1 3.69Å; W24-F125 AromaticContact CH2-CZ 3.56Å; W24-F125 HydrophobicContact CH2-CZ 3.56Å; W24-F125 HydrophobicContact CZ2-CE1 4.24Å; W24-F125 HydrophobicContact CZ2-CZ 4.21Å; W24-F125 AromaticContact CZ3-CE1 3.62Å; W24-F125 HydrophobicContact CZ3-CE1 3.62Å; W24-F125 AromaticContact CZ3-CZ 3.9Å; W24-F125 HydrophobicContact CZ3-CZ 3.9Å; I122-F125 WeakPolarHBondContact O-CB 3.49Å; I122-F125 PolarHBondContact O-N 3.46Å; F125-L127 VanDerWaalsContact C-N 3.32Å; F125-L127 PolarHBondContact O-N 3.35Å; F125-S128 PolarHBondContact O-N 3Å; F125-S128 PolarHBondContact O-OG 3.34Å; F125-Q129 HydrophobicContact CE1-CG 4.15Å; F125-Q129 HydrophobicContact CE2-CG 4.34Å; F125-Q129 HydrophobicContact CZ-CG 4.01Å; F125-Q129 WeakPolarHBondContact O-CG 3.4Å; F125-Q129 PolarHBondContact O-N 3.38Å; F125-Y418 AromaticContact CD2-CD1 3.47Å; F125-Y418 HydrophobicContact CD2-CD1 3.47Å; F125-Y418 VanDerWaalsContact CD2-CD1 3.47Å; F125-Y418 HydrophobicContact CD2-CE1 4.1Å; F125-Y418 AromaticContact CD2-CG 3.85Å; F125-Y418 HydrophobicContact CD2-CG 3.85Å; F125-Y418 AromaticContact CE2-CD1 3.58Å; F125-Y418 HydrophobicContact CE2-CD1 3.58Å; F125-Y418 HydrophobicContact CE2-CD2 4.22Å; F125-Y418 AromaticContact CE2-CE1 3.94Å; F125-Y418 HydrophobicContact CE2-CE1 3.94Å; F125-Y418 AromaticContact CE2-CG 3.72Å; F125-Y418 HydrophobicContact CE2-CG 3.72Å; F125-V419 HydrophobicContact CB-CG1 4.43Å
126Y93.2Very high90.5Very high2 Ų233.7 Ų33.71%0.00818%0.177CC..Hα-helixtrans-57.1-44.4179179.7-99.6000112.5I20 W24 N42 L45 F46 I122 F123 S128 Q129 D130I20-Y126 HydrophobicContact CG2-CD2 4.25Å; I20-Y126 HydrophobicContact CG2-CE2 4.27Å; I20-Y126 HydrophobicContact CG2-CG 4.46Å; W24-Y126 HydrophobicContact CB-CD2 4.17Å; W24-Y126 HydrophobicContact CB-CE2 4.03Å; W24-Y126 AromaticContact CD1-CD2 3.93Å; W24-Y126 AromaticContact CD1-CE2 3.63Å; W24-Y126 HydrophobicContact CG-CD2 4.01Å; W24-Y126 AromaticContact CG-CE2 3.98Å; W24-Y126 HydrophobicContact CG-CE2 3.98Å; N42-Y126 PolarHBondContact OD1-OH 2.8Å; N42-Y126 VanDerWaalsContact OD1-OH 3.11Å; L45-Y126 HydrophobicContact CD2-CE2 4.08Å; F46-Y126 AromaticContact CD2-CE1 3.79Å; F46-Y126 HydrophobicContact CD2-CE1 3.79Å; F46-Y126 HydrophobicContact CE2-CE1 4.43Å; I122-Y126 PolarHBondContact O-N 3.04Å; F123-Y126 HydrophobicContact CD2-CD1 4.42Å; F123-Y126 HydrophobicContact CE2-CD1 4.34Å; F123-Y126 PolarHBondContact O-N 3.23Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.9Å; Y126-Q129 WeakPolarHBondContact O-CA 2.88Å; Y126-Q129 WeakPolarHBondContact O-CB 3.17Å; Y126-Q129 PolarHBondContact O-N 3.44Å; Y126-D130 PolarHBondContact O-N 2.97Å
127L91.3Very high89.9Confident10 Ų1036.7 Ų36.75%0.05218%0.182CC..Hα-helixtrans-64.3-29.6175.9-72.7175.2000113.2L113 F123 F125 Q129 D130 F134L113-L127 HydrophobicContact CD1-CB 4.44Å; L113-L127 HydrophobicContact CD1-CD1 3.82Å; F123-L127 HydrophobicContact CD1-CD1 3.55Å; F123-L127 HydrophobicContact CD1-CG 3.99Å; F123-L127 HydrophobicContact CE1-CD1 3.33Å; F123-L127 HydrophobicContact CE1-CD2 4.07Å; F123-L127 HydrophobicContact CE1-CG 3.75Å; F123-L127 HydrophobicContact CE2-CD2 4.5Å; F123-L127 HydrophobicContact CE2-CG 4.46Å; F123-L127 HydrophobicContact CG-CD1 4.44Å; F123-L127 HydrophobicContact CG-CG 4.47Å; F123-L127 HydrophobicContact CZ-CD1 4.05Å; F123-L127 HydrophobicContact CZ-CD2 3.91Å; F123-L127 HydrophobicContact CZ-CG 3.99Å; F123-L127 WeakPolarHBondContact O-CB 3.42Å; F123-L127 VanDerWaalsContact O-CG 3.28Å; F123-L127 WeakPolarHBondContact O-CG 3.22Å; F123-L127 PolarHBondContact O-N 2.86Å; F125-L127 VanDerWaalsContact C-N 3.32Å; F125-L127 PolarHBondContact O-N 3.35Å; L127-Q129 PolarHBondContact O-N 3.38Å; L127-D130 PolarHBondContact O-N 3.41Å; L127-F134 HydrophobicContact CB-CZ 4.17Å
128S89.8Confident89.3Confident19 Ų1936.8 Ų36.813%0.13320%0.2CC..Hα-helixtrans-70.9-19172.978.90000113G124 F125 Y126G124-S128 PolarHBondContact O-N 3.49Å; F125-S128 PolarHBondContact O-N 3Å; F125-S128 PolarHBondContact O-OG 3.34Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.9Å
129Q88.7Confident88.9Confident40 Ų4041.6 Ų41.619%0.18723%0.227CC..Hα-helixtrans-85.2-15171.7-50-51.7-65.900113.3W24 F125 Y126 L127 Y418W24-Q129 HydrophobicContact CH2-CG 4.49Å; W24-Q129 HydrophobicContact CZ2-CB 4.35Å; W24-Q129 HydrophobicContact CZ2-CG 3.74Å; F125-Q129 HydrophobicContact CE1-CG 4.15Å; F125-Q129 HydrophobicContact CE2-CG 4.34Å; F125-Q129 HydrophobicContact CZ-CG 4.01Å; F125-Q129 WeakPolarHBondContact O-CG 3.4Å; F125-Q129 PolarHBondContact O-N 3.38Å; Y126-Q129 WeakPolarHBondContact O-CA 2.88Å; Y126-Q129 WeakPolarHBondContact O-CB 3.17Å; Y126-Q129 PolarHBondContact O-N 3.44Å; L127-Q129 PolarHBondContact O-N 3.38Å; Q129-Y418 PolarHBondContact NE2-OH 3.5Å
130D82.9Confident88.5Confident3 Ų339.2 Ų39.22%0.01622%0.219CC..THydrogen-bonded Turntrans-103.339.1-172.5-166.851.6000114.4N42 R110 Y126 L127 C132N42-D130 PolarHBondContact ND2-OD1 3.31Å; N42-D130 VanDerWaalsContact ND2-OD1 3.08Å; R110-D130 WeakPolarHBondContact CD-O 3.44Å; R110-D130 IonicContact CZ-OD1 3.14Å; R110-D130 IonicContact CZ-OD2 3.41Å; R110-D130 PolarHBondContact NE-O 3.22Å; R110-D130 IonicContact NE-OD1 2.84Å; R110-D130 IonicContact NE-OD2 2.77Å; R110-D130 IonicContact NH1-OD1 3.54Å; R110-D130 PolarHBondContact NH1-OD1 3.42Å; R110-D130 IonicContact NH1-OD2 2.88Å; R110-D130 PolarHBondContact NH1-OD2 2.99Å; R110-D130 IonicContact NH2-OD1 2.65Å; Y126-D130 PolarHBondContact O-N 2.97Å; L127-D130 PolarHBondContact O-N 3.41Å; D130-C132 PolarHBondContact O-N 3.19Å
131S84.3Confident88.2Confident30 Ų3041.2 Ų41.221%0.2123%0.227CC..THydrogen-bonded Turntrans45.832.4177.4-56.30000114.9T148S131-T148 VanDerWaalsContact O-CG2 3.22Å; S131-T148 WeakPolarHBondContact O-CG2 3.38Å
132C90Very high88.1Confident7 Ų739.5 Ų39.55%0.04722%0.219CC..PPolyproline II helixtrans-82.8150.2172.4-73.10000110.4L113 D130L113-C132 HydrophobicContact CD1-CB 3.84Å; D130-C132 PolarHBondContact O-N 3.19Å
133I91.9Very high88.1Confident9 Ų947.4 Ų47.45%0.04625%0.253CS..EExtended strand (participates in β ladder)trans-101.3116.8-177.8-61171.6000108.9F111 V112 L113 V135 A145 T148 L149 M161F111-I133 PolarHBondContact O-N 3.48Å; V112-I133 CarbonylContact C-O 3.42Å; V112-I133 WeakPolarHBondContact CA-O 3.24Å; L113-I133 PolarHBondContact N-O 3.38Å; I133-V135 HydrophobicContact CG2-CG2 4.23Å; I133-A145 HydrophobicContact CG2-CB 3.87Å; I133-T148 HydrophobicContact CG1-CG2 3.81Å; I133-L149 HydrophobicContact CD1-CD1 4.19Å; I133-L149 HydrophobicContact CD1-CD2 3.62Å; I133-L149 HydrophobicContact CD1-CG 3.69Å; I133-M161 HydrophobicContact CD1-SD 4.22Å
134F90.9Very high88.1Confident42 Ų4247.5 Ų47.518%0.18426%0.262CS..EExtended strand (participates in β ladder)trans-88.6129173.6-62.6-79.1000111.1L113 K118 L127 I423L113-F134 HydrophobicContact CB-CD1 3.96Å; L113-F134 HydrophobicContact CB-CE1 4.15Å; L113-F134 HydrophobicContact CD1-CD1 4.46Å; L113-F134 HydrophobicContact CD1-CE1 3.85Å; L113-F134 HydrophobicContact CD1-CZ 4.32Å; L113-F134 CarbonylContact O-C 3.59Å; L113-F134 WeakPolarHBondContact O-CA 3.25Å; K118-F134 HydrophobicContact CB-CD1 3.94Å; K118-F134 HydrophobicContact CB-CE1 3.64Å; K118-F134 HydrophobicContact CB-CE2 4.35Å; K118-F134 HydrophobicContact CB-CG 4.41Å; K118-F134 HydrophobicContact CB-CZ 3.86Å; L127-F134 HydrophobicContact CB-CZ 4.17Å; F134-I423 HydrophobicContact CD2-CG2 4.23Å
135V89.6Confident88.1Confident37 Ų3747.7 Ų47.722%0.22426%0.264CS..EExtended strand (participates in β ladder)trans-114.4124.7-176.3179.10000110.5V112 L113 K115 I133 F140V112-V135 HydrophobicContact CG1-CB 4.48Å; V112-V135 HydrophobicContact CG1-CG2 3.35Å; L113-V135 PolarHBondContact O-N 3.43Å; K115-V135 PolarHBondContact N-O 3.31Å; I133-V135 HydrophobicContact CG2-CG2 4.23Å; V135-F140 HydrophobicContact CG1-CD2 3.93Å; V135-F140 HydrophobicContact CG1-CE2 4.34Å; V135-F140 HydrophobicContact CG2-CD2 4.42Å; V135-F140 HydrophobicContact CG2-CE2 4.05Å
136D86.3Confident88.1Confident41 Ų4149.5 Ų49.522%0.21927%0.274CS..  trans-97.7128162.2-167.8-16.9000109.7K115 G138 F140K115-D136 HydrophobicContact CB-CB 4.47Å; K115-D136 HydrophobicContact CD-CB 3.71Å; K115-D136 VanDerWaalsContact CD-OD2 3.24Å; K115-D136 WeakPolarHBondContact CD-OD2 3.44Å; K115-D136 WeakPolarHBondContact CE-OD2 3.48Å; K115-D136 VanDerWaalsContact NZ-CG 3.31Å; K115-D136 IonicContact NZ-OD1 2.9Å; K115-D136 PolarHBondContact NZ-OD1 3.1Å; K115-D136 IonicContact NZ-OD2 3.37Å; K115-D136 PolarHBondContact NZ-OD2 3.04Å; D136-G138 VanDerWaalsContact C-N 3.32Å; D136-G138 PolarHBondContact OD1-N 3.04Å; D136-F140 PolarHBondContact O-N 2.93Å
137R79.5Confident88.1Confident155 Ų15552.4 Ų52.459%0.58529%0.294SS*.SBendtrans-71.1-29177.1-61.1-175.4-170.6161.49.2112.3G167 T168R137-G167 PolarHBondContact NH2-O 3.06Å; R137-T168 PolarHBondContact NH2-OG1 3.27Å
138G78.8Confident88.1Confident74 Ų7453.2 Ų53.276%0.76330%0.3SS*.SBendtrans-87.2-35-179.100000113.6D136D136-G138 VanDerWaalsContact C-N 3.32Å; D136-G138 PolarHBondContact OD1-N 3.04Å
139N83.7Confident88.3Confident128 Ų12852.3 Ų52.368%0.68429%0.294SS*.SBendtrans-139.272.5-176.9-172.227.2000111.6D141N139-D141 PolarHBondContact O-N 3.22Å
140F84.5Confident88.5Confident31 Ų3152.9 Ų52.914%0.13630%0.298CS..  trans-70.4112.6-178.4178.6-109000112V135 D136 A142 A145 L207V135-F140 HydrophobicContact CG1-CD2 3.93Å; V135-F140 HydrophobicContact CG1-CE2 4.34Å; V135-F140 HydrophobicContact CG2-CD2 4.42Å; V135-F140 HydrophobicContact CG2-CE2 4.05Å; D136-F140 PolarHBondContact O-N 2.93Å; F140-A142 HydrophobicContact CD1-CB 4.12Å; F140-A142 HydrophobicContact CE1-CB 3.78Å; F140-A142 PolarHBondContact O-N 2.95Å; F140-A142 VanDerWaalsContact O-N 3.17Å; F140-A145 HydrophobicContact CE2-CB 4.25Å; F140-A145 HydrophobicContact CZ-CB 3.78Å; F140-L207 HydrophobicContact CE1-CD1 3.51Å; F140-L207 HydrophobicContact CZ-CD1 3.71Å
141D86.9Confident88.8Confident92 Ų9255.6 Ų55.649%0.49231%0.312SS..  trans-79.293.6172.1-170.8-13.9000111.2N139 K143 A144 A145N139-D141 PolarHBondContact O-N 3.22Å; D141-K143 VanDerWaalsContact C-N 3.28Å; D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 WeakPolarHBondContact OD1-CB 3.47Å; D141-K143 PolarHBondContact OD1-N 3.05Å; D141-A144 HydrophobicContact CB-CB 4.17Å; D141-A144 PolarHBondContact OD1-N 2.98Å; D141-A145 PolarHBondContact O-N 3.07Å
142A90.1Very high89Confident32 Ų3254.2 Ų54.226%0.26430%0.303SS..Hα-helixtrans-65.8-29.1176.900000112.9F140 I146 L207F140-A142 HydrophobicContact CD1-CB 4.12Å; F140-A142 HydrophobicContact CE1-CB 3.78Å; F140-A142 PolarHBondContact O-N 2.95Å; F140-A142 VanDerWaalsContact O-N 3.17Å; A142-I146 WeakPolarHBondContact O-CB 3.37Å; A142-I146 WeakPolarHBondContact O-CD1 2.93Å; A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 2.87Å; A142-L207 HydrophobicContact CB-CD1 3.99Å
143K91.5Very high89Confident173 Ų17356.6 Ų56.675%0.75231%0.312SS*.Hα-helixtrans-71.5-46.1-177.1-68.4-178.2179179.10110.6D141 A145 I146 S147D141-K143 VanDerWaalsContact C-N 3.28Å; D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 WeakPolarHBondContact OD1-CB 3.47Å; D141-K143 PolarHBondContact OD1-N 3.05Å; K143-A145 VanDerWaalsContact C-N 3.31Å; K143-A145 PolarHBondContact O-N 3.03Å; K143-I146 PolarHBondContact O-N 3.11Å; K143-S147 PolarHBondContact O-N 3.08Å
144A90Very high88.6Confident48 Ų4862.8 Ų62.840%0.39734%0.341SS..Hα-helixtrans-60.2-42.5175.300000111.7D141 S147 T148D141-A144 HydrophobicContact CB-CB 4.17Å; D141-A144 PolarHBondContact OD1-N 2.98Å; A144-S147 PolarHBondContact O-N 3.46Å; A144-T148 PolarHBondContact O-N 2.74Å; A144-T148 PolarHBondContact O-OG1 3.36Å
145A92.9Very high88.1Confident4 Ų462.2 Ų62.23%0.03334%0.34CS..Hα-helixtrans-62.3-46.1175.600000112.2I133 F140 D141 K143 S147 T148 L149 L207I133-A145 HydrophobicContact CG2-CB 3.87Å; F140-A145 HydrophobicContact CE2-CB 4.25Å; F140-A145 HydrophobicContact CZ-CB 3.78Å; D141-A145 PolarHBondContact O-N 3.07Å; K143-A145 VanDerWaalsContact C-N 3.31Å; K143-A145 PolarHBondContact O-N 3.03Å; A145-S147 PolarHBondContact O-N 2.98Å; A145-T148 PolarHBondContact O-N 3.44Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.35Å; A145-L149 PolarHBondContact O-N 2.99Å; A145-L207 HydrophobicContact CB-CD1 4.33Å; A145-L207 HydrophobicContact CB-CD2 4.03Å
146I94.2Very high87.3Confident62 Ų6267.5 Ų67.532%0.31836%0.362SS..Hα-helixtrans-62.5-42.4177-71.2165000111.1A142 K143 T148 L149 N150 L207A142-I146 WeakPolarHBondContact O-CB 3.37Å; A142-I146 WeakPolarHBondContact O-CD1 2.93Å; A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 2.87Å; K143-I146 PolarHBondContact O-N 3.11Å; I146-T148 VanDerWaalsContact C-N 3.34Å; I146-T148 PolarHBondContact O-N 2.91Å; I146-L149 PolarHBondContact O-N 3.37Å; I146-N150 WeakPolarHBondContact O-CB 3.47Å; I146-N150 PolarHBondContact O-N 3.43Å; I146-N150 PolarHBondContact O-ND2 2.87Å; I146-L207 HydrophobicContact CG1-CD1 4.27Å; I146-L207 HydrophobicContact CG1-CD2 4.09Å; I146-L207 HydrophobicContact CG1-CG 4.24Å
147S92.5Very high87Confident63 Ų6366.1 Ų66.144%0.44136%0.356SS..Hα-helixtrans-58-47.8175.8-167.80000111.3K143 A144 A145 L149 N150 D151K143-S147 PolarHBondContact O-N 3.08Å; A144-S147 PolarHBondContact O-N 3.46Å; A145-S147 PolarHBondContact O-N 2.98Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 2.88Å; S147-N150 WeakPolarHBondContact O-CB 3.43Å; S147-N150 PolarHBondContact O-N 3.45Å; S147-D151 PolarHBondContact O-N 2.6Å
148T91.7Very high87.4Confident27 Ų2760.5 Ų60.517%0.16634%0.337CS..Hα-helixtrans-61.7-42.3178.8-54.50000111.6S131 I133 A144 A145 I146 N150 D151 I152S131-T148 VanDerWaalsContact O-CG2 3.22Å; S131-T148 WeakPolarHBondContact O-CG2 3.38Å; I133-T148 HydrophobicContact CG1-CG2 3.81Å; A144-T148 PolarHBondContact O-N 2.74Å; A144-T148 PolarHBondContact O-OG1 3.36Å; A145-T148 PolarHBondContact O-N 3.44Å; I146-T148 VanDerWaalsContact C-N 3.34Å; I146-T148 PolarHBondContact O-N 2.91Å; T148-N150 VanDerWaalsContact C-N 3.34Å; T148-N150 PolarHBondContact O-N 3.34Å; T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.22Å; T148-I152 HydrophobicContact CG2-CD1 4.31Å; T148-I152 WeakPolarHBondContact O-CG1 3.47Å; T148-I152 PolarHBondContact O-N 3.02Å
149L93.8Very high88.1Confident0 Ų057.1 Ų57.10%030%0.302CS..Hα-helixtrans-67.2-34.3177.3-68.5165.7000112.5I133 A145 I146 S147 I152 K153 M161 L207 I208 Q211 M212I133-L149 HydrophobicContact CD1-CD1 4.19Å; I133-L149 HydrophobicContact CD1-CD2 3.62Å; I133-L149 HydrophobicContact CD1-CG 3.69Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.35Å; A145-L149 PolarHBondContact O-N 2.99Å; I146-L149 PolarHBondContact O-N 3.37Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-L149 PolarHBondContact O-N 2.88Å; L149-I152 HydrophobicContact CD2-CD1 4.43Å; L149-I152 PolarHBondContact O-N 3.17Å; L149-K153 WeakPolarHBondContact O-CB 3.33Å; L149-K153 PolarHBondContact O-N 3.32Å; L149-M161 HydrophobicContact CD2-SD 4.14Å; L149-L207 HydrophobicContact CD1-CD2 3.17Å; L149-I208 HydrophobicContact CD1-CG1 4.3Å; L149-I208 HydrophobicContact CD2-CG1 4.15Å; L149-I208 HydrophobicContact CD2-CG2 4.48Å; L149-Q211 HydrophobicContact CB-CB 4.14Å; L149-Q211 HydrophobicContact CB-CG 3.71Å; L149-Q211 HydrophobicContact CD1-CB 4.1Å; L149-Q211 HydrophobicContact CD1-CG 4.48Å; L149-M212 HydrophobicContact CB-CG 4.44Å; L149-M212 HydrophobicContact CD2-CG 4.11Å; L149-M212 HydrophobicContact CD2-SD 3.38Å; L149-M212 WeakPolarHBondContact CD2-SD 3.27Å
150N92.2Very high88.6Confident52 Ų5251 Ų5128%0.27827%0.269SS..Hα-helixtrans-64-42171.9-78.1-33.7000111.6I146 S147 T148 I152 K153 Q154 Q211I146-N150 WeakPolarHBondContact O-CB 3.47Å; I146-N150 PolarHBondContact O-N 3.43Å; I146-N150 PolarHBondContact O-ND2 2.87Å; S147-N150 WeakPolarHBondContact O-CB 3.43Å; S147-N150 PolarHBondContact O-N 3.45Å; T148-N150 VanDerWaalsContact C-N 3.34Å; T148-N150 PolarHBondContact O-N 3.34Å; N150-I152 VanDerWaalsContact C-N 3.33Å; N150-I152 PolarHBondContact O-N 3.41Å; N150-K153 PolarHBondContact O-N 3.25Å; N150-Q154 WeakPolarHBondContact O-CB 3.45Å; N150-Q154 VanDerWaalsContact O-CG 3.28Å; N150-Q154 WeakPolarHBondContact O-CG 3.19Å; N150-Q154 PolarHBondContact O-N 3.42Å; N150-Q211 VanDerWaalsContact OD1-CD 3.24Å; N150-Q211 PolarHBondContact OD1-NE2 3.33Å
151D88.6Confident89.1Confident60 Ų6049.5 Ų49.532%0.32126%0.262SS..Hα-helixtrans-61.6-42.6175.3-66.1-26000111.3S147 T148 Q154 L155S147-D151 PolarHBondContact O-N 2.6Å; T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.22Å; D151-Q154 PolarHBondContact O-N 3.13Å; D151-L155 WeakPolarHBondContact O-CB 3.41Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.47Å; D151-L155 PolarHBondContact O-N 3.17Å
152I89.4Confident89.5Confident2 Ų245.2 Ų45.21%0.0124%0.239CC..Hα-helixtrans-62.3-41.8174.1-64.9166.3000111.5R110 T148 L149 N150 L155 T159 M161 M212R110-I152 HydrophobicContact CB-CD1 4.3Å; R110-I152 HydrophobicContact CG-CD1 4.08Å; R110-I152 HydrophobicContact CG-CG1 4.46Å; T148-I152 HydrophobicContact CG2-CD1 4.31Å; T148-I152 WeakPolarHBondContact O-CG1 3.47Å; T148-I152 PolarHBondContact O-N 3.02Å; L149-I152 HydrophobicContact CD2-CD1 4.43Å; L149-I152 PolarHBondContact O-N 3.17Å; N150-I152 VanDerWaalsContact C-N 3.33Å; N150-I152 PolarHBondContact O-N 3.41Å; I152-L155 WeakPolarHBondContact O-CB 3.49Å; I152-L155 PolarHBondContact O-N 3.31Å; I152-T159 HydrophobicContact CG2-CG2 3.77Å; I152-M161 HydrophobicContact CD1-SD 4.21Å; I152-M212 HydrophobicContact CB-CE 4.46Å; I152-M212 HydrophobicContact CG2-CE 3.57Å; I152-M212 HydrophobicContact CG2-SD 4.39Å
153K89Confident89.9Confident57 Ų5744.1 Ų44.125%0.24823%0.229CC..Hα-helixtrans-66.3-43.9178.5-175.7171.3179.5166.50111.6L149 N150 L155 Q156 Q211 D214L149-K153 WeakPolarHBondContact O-CB 3.33Å; L149-K153 PolarHBondContact O-N 3.32Å; N150-K153 PolarHBondContact O-N 3.25Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.16Å; K153-Q156 PolarHBondContact O-N 3.12Å; K153-Q211 PolarHBondContact NZ-O 3.03Å; K153-D214 WeakPolarHBondContact CE-OD1 3.2Å; K153-D214 VanDerWaalsContact CE-OD2 3.22Å; K153-D214 WeakPolarHBondContact CE-OD2 3.26Å; K153-D214 IonicContact NZ-OD1 2.64Å; K153-D214 PolarHBondContact NZ-OD1 2.78Å; K153-D214 IonicContact NZ-OD2 3.88Å; K153-D214 PolarHBondContact NZ-OD2 3.11Å
154Q85.3Confident90.1Very high139 Ų13937.2 Ų37.265%0.6520%0.198SC*.Hα-helixtrans-66.5-30.1176.8-72.8178.310.600112.9N150 D151 Q156N150-Q154 WeakPolarHBondContact O-CB 3.45Å; N150-Q154 VanDerWaalsContact O-CG 3.28Å; N150-Q154 WeakPolarHBondContact O-CG 3.19Å; N150-Q154 PolarHBondContact O-N 3.42Å; D151-Q154 PolarHBondContact O-N 3.13Å; Q154-Q156 PolarHBondContact O-N 3.32Å; Q154-Q156 VanDerWaalsContact O-N 3.15Å
155L79.2Confident90.4Very high29 Ų2935.1 Ų35.115%0.15218%0.181CC..THydrogen-bonded Turntrans-57.3-25.3174.5-88.3163.1000112.8R39 D151 I152 K153 S157R39-L155 HydrophobicContact CB-CD2 4.15Å; R39-L155 HydrophobicContact CG-CD2 3.76Å; R39-L155 VanDerWaalsContact CZ-CD2 3.44Å; R39-L155 VanDerWaalsContact NH1-CG 3.34Å; D151-L155 WeakPolarHBondContact O-CB 3.41Å; D151-L155 VanDerWaalsContact O-CG 3.25Å; D151-L155 WeakPolarHBondContact O-CG 3.47Å; D151-L155 PolarHBondContact O-N 3.17Å; I152-L155 WeakPolarHBondContact O-CB 3.49Å; I152-L155 PolarHBondContact O-N 3.31Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.16Å; L155-S157 PolarHBondContact O-N 2.9Å
156Q74Confident90.6Very high149 Ų14935.3 Ų35.370%0.69618%0.181SC*.THydrogen-bonded Turntrans48.422.7-171.8-64.5-172.2-18.300113.7R80 K153 Q154R80-Q156 PolarHBondContact NH2-O 3.2Å; K153-Q156 PolarHBondContact O-N 3.12Å; Q154-Q156 PolarHBondContact O-N 3.32Å; Q154-Q156 VanDerWaalsContact O-N 3.15Å
157S78.9Confident90.5Very high12 Ų1234.2 Ų34.28%0.08419%0.185CC..  trans-83.7152.5179.765.50000110.4R80 L155 T159R80-S157 PolarHBondContact NE-O 2.81Å; R80-S157 VanDerWaalsContact NE-O 3.1Å; L155-S157 PolarHBondContact O-N 2.9Å; S157-T159 PolarHBondContact O-N 3.31Å; S157-T159 PolarHBondContact OG-OG1 3.19Å
158N89.1Confident90.6Very high37 Ų3732.5 Ų32.520%0.19817%0.172CC..  trans-75.472.3177.5-56.3-29000110.2N78 R80 V105 R108N78-N158 HydrophobicContact CB-CB 4.43Å; N78-N158 WeakPolarHBondContact CB-ND2 3.37Å; N78-N158 WeakPolarHBondContact O-CB 3.41Å; N78-N158 PolarHBondContact O-ND2 2.84Å; N78-N158 PolarHBondContact O-OD1 2.82Å; N78-N158 PolarHBondContact OD1-ND2 2.87Å; R80-N158 HydrophobicContact CG-CB 4.45Å; V105-N158 HydrophobicContact CG1-CB 4.17Å; R108-N158 WeakPolarHBondContact CB-O 3.39Å; R108-N158 WeakPolarHBondContact CD-O 3.26Å; R108-N158 PolarHBondContact NH1-ND2 3.23Å
159T92Very high90.7Very high2 Ų235.6 Ų35.61%0.01218%0.18CC..  trans-82.8137.6-170.9-690000111.7R80 V81 R108 R110 I152 S157R80-T159 WeakPolarHBondContact CA-O 3.26Å; V81-T159 PolarHBondContact N-O 3.24Å; R108-T159 WeakPolarHBondContact O-CA 3.04Å; R108-T159 WeakPolarHBondContact O-CG2 3.25Å; R110-T159 HydrophobicContact CB-CG2 4.1Å; R110-T159 HydrophobicContact CG-CG2 3.6Å; I152-T159 HydrophobicContact CG2-CG2 3.77Å; S157-T159 PolarHBondContact O-N 3.31Å; S157-T159 PolarHBondContact OG-OG1 3.19Å
160W94.5Very high90.9Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-100.2106.5165.5-85.453.6000109.2E79 V81 F83 I100 Q103 V105 R108 R110 Y220E79-W160 PolarHBondContact O-NE1 2.92Å; V81-W160 HydrophobicContact CB-CD2 3.81Å; V81-W160 HydrophobicContact CB-CE3 4.38Å; V81-W160 HydrophobicContact CB-CG 4.04Å; V81-W160 HydrophobicContact CB-CZ2 4.13Å; V81-W160 HydrophobicContact CG1-CD2 4.11Å; V81-W160 HydrophobicContact CG1-CE3 4.16Å; V81-W160 HydrophobicContact CG1-CH2 4.4Å; V81-W160 HydrophobicContact CG1-CZ2 4.22Å; V81-W160 HydrophobicContact CG1-CZ3 4.38Å; V81-W160 HydrophobicContact CG2-CD2 4.35Å; V81-W160 HydrophobicContact CG2-CZ2 3.87Å; V81-W160 CarbonylContact O-C 3.58Å; V81-W160 WeakPolarHBondContact O-CA 3.39Å; F83-W160 HydrophobicContact CB-CE3 4.16Å; F83-W160 HydrophobicContact CB-CZ3 4.49Å; F83-W160 HydrophobicContact CD2-CE3 4.05Å; F83-W160 AromaticContact CD2-CZ3 3.6Å; F83-W160 HydrophobicContact CD2-CZ3 3.6Å; F83-W160 HydrophobicContact CE2-CZ3 4.26Å; F83-W160 HydrophobicContact CG-CE3 4.48Å; F83-W160 HydrophobicContact CG-CZ3 4.45Å; I100-W160 HydrophobicContact CD1-CB 3.89Å; I100-W160 HydrophobicContact CD1-CD2 3.96Å; I100-W160 HydrophobicContact CD1-CE3 3.58Å; I100-W160 HydrophobicContact CD1-CG 4.12Å; I100-W160 HydrophobicContact CD1-CZ3 4.3Å; I100-W160 HydrophobicContact CG1-CB 4.38Å; I100-W160 HydrophobicContact CG1-CD2 3.55Å; I100-W160 HydrophobicContact CG1-CE3 3.2Å; I100-W160 HydrophobicContact CG1-CG 4.07Å; I100-W160 HydrophobicContact CG1-CH2 4.27Å; I100-W160 HydrophobicContact CG1-CZ3 3.54Å; Q103-W160 HydrophobicContact CG-CZ2 4.07Å; Q103-W160 VanDerWaalsContact OE1-CE2 3.26Å; V105-W160 HydrophobicContact CG2-CG 4.5Å; R108-W160 PolarHBondContact O-N 3.46Å; R110-W160 PolarHBondContact N-O 2.64Å; W160-Y220 AromaticContact CH2-CD2 3.45Å; W160-Y220 HydrophobicContact CH2-CD2 3.45Å; W160-Y220 VanDerWaalsContact CH2-CD2 3.45Å; W160-Y220 AromaticContact CH2-CE2 3.55Å; W160-Y220 HydrophobicContact CH2-CE2 3.55Å; W160-Y220 HydrophobicContact CH2-CG 4.26Å; W160-Y220 HydrophobicContact CZ2-CD2 4.08Å; W160-Y220 AromaticContact CZ2-CE2 3.83Å; W160-Y220 HydrophobicContact CZ2-CE2 3.83Å; W160-Y220 HydrophobicContact CZ3-CD2 4.15Å
161M95.5Very high91.1Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-86.9109.4175-171.874.2-98.500109.1V81 L82 F83 R110 F111 V112 I133 L149 I152 I208V81-M161 PolarHBondContact O-N 2.99Å; L82-M161 HydrophobicContact CD1-CB 4.31Å; L82-M161 HydrophobicContact CD1-CG 4.32Å; L82-M161 WeakPolarHBondContact CD1-O 3.25Å; F83-M161 PolarHBondContact N-O 2.77Å; R110-M161 HydrophobicContact CB-CE 3.66Å; R110-M161 HydrophobicContact CB-SD 4.09Å; R110-M161 WeakPolarHBondContact O-CE 3.3Å; F111-M161 VanDerWaalsContact C-CE 3.48Å; V112-M161 HydrophobicContact CG2-CE 3.85Å; I133-M161 HydrophobicContact CD1-SD 4.22Å; L149-M161 HydrophobicContact CD2-SD 4.14Å; I152-M161 HydrophobicContact CD1-SD 4.21Å; M161-I208 HydrophobicContact CG-CD1 3.84Å; M161-I208 HydrophobicContact CG-CG1 4.35Å; M161-I208 HydrophobicContact CG-CG2 4.11Å
162V96.2Very high91.4Very high1 Ų133.5 Ų33.51%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-98.3122-176-177.10000110.3F83 C96 I100 T109 R110 F111 V112 Y164F83-V162 HydrophobicContact CB-CG2 4.23Å; F83-V162 HydrophobicContact CD1-CG1 3.82Å; F83-V162 HydrophobicContact CE1-CG1 4.4Å; C96-V162 WeakPolarHBondContact SG-CG2 3.34Å; I100-V162 HydrophobicContact CD1-CG2 4.39Å; T109-V162 HydrophobicContact CG2-CG2 3.64Å; R110-V162 PolarHBondContact O-N 3.42Å; F111-V162 HydrophobicContact CD1-CB 3.61Å; F111-V162 HydrophobicContact CD1-CG1 3.76Å; F111-V162 HydrophobicContact CD1-CG2 4.11Å; F111-V162 HydrophobicContact CE1-CB 3.91Å; F111-V162 HydrophobicContact CE1-CG1 3.9Å; F111-V162 HydrophobicContact CE1-CG2 3.95Å; F111-V162 HydrophobicContact CG-CB 4.44Å; V112-V162 PolarHBondContact N-O 3.28Å; V162-Y164 HydrophobicContact CG1-CE2 3.86Å
163I96.7Very high91.7Very high9 Ų939.7 Ų39.75%0.04619%0.192CC..EExtended strand (participates in β ladder)trans-132.7146174-172.1171.1000110.5L82 F83 I84 V112 P165 I205 I208L82-I163 HydrophobicContact CD1-CG2 3.77Å; F83-I163 PolarHBondContact O-N 3.49Å; I84-I163 WeakPolarHBondContact CA-O 3.46Å; I84-I163 HydrophobicContact CG2-CG2 3.78Å; V112-I163 HydrophobicContact CB-CB 4.14Å; V112-I163 HydrophobicContact CB-CD1 4.38Å; V112-I163 HydrophobicContact CB-CG1 3.96Å; V112-I163 HydrophobicContact CG1-CD1 4.28Å; V112-I163 HydrophobicContact CG1-CG1 4.2Å; V112-I163 HydrophobicContact CG2-CB 3.85Å; V112-I163 HydrophobicContact CG2-CD1 4.07Å; V112-I163 HydrophobicContact CG2-CG1 3.96Å; I163-P165 HydrophobicContact CG2-CG 4.49Å; I163-P165 WeakPolarHBondContact O-CD 3.27Å; I163-I205 HydrophobicContact CD1-CG1 4.32Å; I163-I205 HydrophobicContact CG2-CG1 4.07Å; I163-I208 HydrophobicContact CB-CD1 4.39Å; I163-I208 HydrophobicContact CD1-CD1 4.03Å; I163-I208 HydrophobicContact CG2-CD1 4.42Å
164Y97Very high92Very high28 Ų2841.7 Ų41.711%0.1120%0.201CC..  trans-111.194.6170.3-67.9-85.6000108.8H87 D92 V162 E166 G167H87-Y164 HydrophobicContact CB-CD1 3.64Å; H87-Y164 HydrophobicContact CB-CG 4.04Å; H87-Y164 AromaticContact CG-CD1 3.63Å; H87-Y164 AromaticContact CG-CG 3.7Å; H87-Y164 AromaticContact ND1-CD1 3.57Å; H87-Y164 AromaticContact ND1-CE1 3.88Å; H87-Y164 AromaticContact ND1-CG 3.76Å; D92-Y164 HydrophobicContact CB-CE1 3.75Å; D92-Y164 VanDerWaalsContact CB-OH 3.3Å; D92-Y164 WeakPolarHBondContact CB-OH 3.43Å; D92-Y164 PolarHBondContact O-OH 3.25Å; D92-Y164 VanDerWaalsContact O-OH 3.1Å; V162-Y164 HydrophobicContact CG1-CE2 3.86Å; Y164-E166 PolarHBondContact O-N 2.91Å; Y164-E166 VanDerWaalsContact O-N 3.12Å; Y164-G167 PolarHBondContact O-N 2.64Å
165P96.4Very high92.4Very high4 Ų440.8 Ų40.83%0.02620%0.196CC..THydrogen-bonded Turntrans-58.7-25.4-171.7-29.736.6000115.5I84 I163 G167 P200 R201 I205 L276 Y280I84-P165 HydrophobicContact CB-CG 4.07Å; I84-P165 HydrophobicContact CG2-CG 4.05Å; I163-P165 HydrophobicContact CG2-CG 4.49Å; I163-P165 WeakPolarHBondContact O-CD 3.27Å; P165-G167 PolarHBondContact O-N 3.09Å; P165-G167 VanDerWaalsContact O-N 3.14Å; P165-P200 HydrophobicContact CB-CB 3.59Å; P165-R201 PolarHBondContact O-N 3.35Å; P165-I205 HydrophobicContact CB-CD1 3.75Å; P165-I205 HydrophobicContact CG-CD1 3.28Å; P165-I205 HydrophobicContact CG-CG1 4.01Å; P165-L276 HydrophobicContact CB-CD1 4.46Å; P165-L276 HydrophobicContact CB-CD2 4.46Å; P165-L276 HydrophobicContact CG-CD1 4.46Å; P165-Y280 HydrophobicContact CB-CE2 4.29Å; P165-Y280 WeakPolarHBondContact CD-OH 3.2Å; P165-Y280 HydrophobicContact CG-CE2 4.35Å
166E96.4Very high93.3Very high9 Ų944.9 Ų44.94%0.04222%0.218CC..THydrogen-bonded Turntrans-57.4-24.2172.3-66.8-178-10900112.5N86 H87 Y164 T168 L198 Y280N86-E166 WeakPolarHBondContact CA-OE1 3.33Å; H87-E166 HydrophobicContact CB-CB 4.49Å; H87-E166 PolarHBondContact N-OE1 3.27Å; Y164-E166 PolarHBondContact O-N 2.91Å; Y164-E166 VanDerWaalsContact O-N 3.12Å; E166-T168 WeakPolarHBondContact CB-O 3.43Å; E166-T168 PolarHBondContact O-N 3.13Å; E166-L198 HydrophobicContact CB-CB 4.05Å; E166-L198 HydrophobicContact CB-CD1 4.5Å; E166-L198 HydrophobicContact CG-CB 3.99Å; E166-L198 VanDerWaalsContact OE2-CB 3.27Å; E166-L198 WeakPolarHBondContact OE2-CB 3.18Å; E166-L198 WeakPolarHBondContact OE2-CG 3.48Å; E166-L198 PolarHBondContact OE2-N 2.89Å; E166-Y280 HydrophobicContact CG-CD1 4.35Å; E166-Y280 HydrophobicContact CG-CE1 3.46Å; E166-Y280 VanDerWaalsContact CG-CE1 3.46Å
167G92Very high94.4Very high38 Ų3839.4 Ų39.439%0.39220%0.195SC..SBendtrans75.4-20.8178.600000113.8R137 Y164 P165R137-G167 PolarHBondContact NH2-O 3.06Å; Y164-G167 PolarHBondContact O-N 2.64Å; P165-G167 PolarHBondContact O-N 3.09Å; P165-G167 VanDerWaalsContact O-N 3.14Å
168T93.9Very high95.3Very high28 Ų2839.8 Ų39.817%0.17220%0.196CC..SBendtrans-142.3163174.6-162.70000110.2H87 R137 E166 V177 L198H87-T168 VanDerWaalsContact CD2-C 3.49Å; R137-T168 PolarHBondContact NH2-OG1 3.27Å; E166-T168 WeakPolarHBondContact CB-O 3.43Å; E166-T168 PolarHBondContact O-N 3.13Å; T168-V177 HydrophobicContact CG2-CG1 3.65Å; T168-L198 HydrophobicContact CG2-CD1 3.26Å
169R95.4Very high95.7Very high91 Ų9142.4 Ų42.434%0.34321%0.21SC..  trans-73.1132.6174.5-69.3166.5-76.7126.5-0.2110.2H87 N171H87-R169 VanDerWaalsContact CE1-CG 3.44Å; H87-R169 WeakPolarHBondContact CE1-CG 3.28Å; H87-R169 WeakPolarHBondContact NE2-CG 3.35Å; H87-R169 CarbonylContact O-C 3.59Å; H87-R169 VanDerWaalsContact O-CA 3.23Å; H87-R169 WeakPolarHBondContact O-CA 3.37Å; R169-N171 PolarHBondContact O-N 3.34Å
170Y97.5Very high96Very high20 Ų2045.1 Ų45.18%0.07823%0.232CC..  trans-61.3129.6162-178.6-81.1000108.8H87 L88 P172 I178 K195 L198 H236H87-Y170 PolarHBondContact O-N 3.37Å; L88-Y170 HydrophobicContact CD2-CD1 4.47Å; Y170-P172 HydrophobicContact CE1-CB 4.23Å; Y170-I178 HydrophobicContact CE2-CD1 4.08Å; Y170-I178 HydrophobicContact CE2-CG1 4.18Å; Y170-K195 WeakPolarHBondContact CE2-O 3.5Å; Y170-K195 PolarHBondContact OH-O 2.93Å; Y170-L198 HydrophobicContact CD2-CD2 3.94Å; Y170-L198 HydrophobicContact CD2-CG 4.15Å; Y170-H236 AromaticContact CD1-CE1 3.37Å; Y170-H236 WeakPolarHBondContact CD1-CE1 3.38Å; Y170-H236 AromaticContact CD1-ND1 3.99Å; Y170-H236 AromaticContact CE1-CE1 3.16Å; Y170-H236 WeakPolarHBondContact CE1-CE1 3.3Å; Y170-H236 AromaticContact CE1-ND1 3.3Å; Y170-H236 VanDerWaalsContact CE1-ND1 3.3Å; Y170-H236 WeakPolarHBondContact CE1-ND1 3.4Å; Y170-H236 AromaticContact CZ-CE1 3.74Å; Y170-H236 AromaticContact CZ-ND1 3.73Å
171N96.5Very high96.1Very high35 Ų3545.4 Ų45.419%0.18724%0.235CC..  trans-143.8119.1174.4-179.8-43.7000107.5R169 W173 K174 I178R169-N171 PolarHBondContact O-N 3.34Å; N171-W173 PolarHBondContact O-N 3.16Å; N171-W173 VanDerWaalsContact O-N 3.11Å; N171-W173 WeakPolarHBondContact OD1-CB 3.2Å; N171-W173 PolarHBondContact OD1-N 2.9Å; N171-K174 HydrophobicContact CB-CB 4.27Å; N171-K174 HydrophobicContact CB-CD 4.22Å; N171-K174 HydrophobicContact CB-CG 4.01Å; N171-K174 PolarHBondContact O-N 2.88Å; N171-I178 WeakPolarHBondContact O-CD1 3.42Å
172P94.8Very high96.3Very high14 Ų1448.3 Ų48.39%0.09125%0.248CC..THydrogen-bonded Turntrans-64.1-17.8-174.826-34.3000113.8Y170 H175 H236 S237 I238 P239Y170-P172 HydrophobicContact CE1-CB 4.23Å; P172-H175 PolarHBondContact O-CE1 3.25Å; P172-H236 WeakPolarHBondContact CB-O 3.42Å; P172-H236 WeakPolarHBondContact CG-O 3.49Å; P172-S237 WeakPolarHBondContact CB-O 3.33Å; P172-S237 VanDerWaalsContact CG-C 3.42Å; P172-S237 VanDerWaalsContact CG-O 3.25Å; P172-S237 WeakPolarHBondContact CG-O 3.22Å; P172-I238 VanDerWaalsContact CG-C 3.41Å; P172-P239 HydrophobicContact CG-CG 4.2Å
173W94.7Very high96.3Very high132 Ų13254 Ų5450%0.527%0.273SS..THydrogen-bonded Turntrans-88-5.6175-58-17.3000113.5N171 H175 I238 P239 N336N171-W173 PolarHBondContact O-N 3.16Å; N171-W173 VanDerWaalsContact O-N 3.11Å; N171-W173 WeakPolarHBondContact OD1-CB 3.2Å; N171-W173 PolarHBondContact OD1-N 2.9Å; W173-H175 PolarHBondContact O-N 3.02Å; W173-I238 HydrophobicContact CZ2-CG2 4.44Å; W173-P239 HydrophobicContact CD2-CG 3.34Å; W173-P239 HydrophobicContact CE3-CG 3.41Å; W173-P239 VanDerWaalsContact CE3-CG 3.41Å; W173-P239 HydrophobicContact CG-CG 3.9Å; W173-P239 HydrophobicContact CH2-CG 3.9Å; W173-P239 HydrophobicContact CZ2-CG 3.86Å; W173-P239 HydrophobicContact CZ3-CG 3.68Å; W173-N336 HydrophobicContact CH2-CB 4.07Å; W173-N336 HydrophobicContact CZ2-CB 3.76Å
174K95.3Very high96.4Very high98 Ų9856.2 Ų56.243%0.42628%0.282SS..  trans-98.670175.8-67.7-166172.2-159.30110.9N171 D176 V177 I178N171-K174 HydrophobicContact CB-CB 4.27Å; N171-K174 HydrophobicContact CB-CD 4.22Å; N171-K174 HydrophobicContact CB-CG 4.01Å; N171-K174 PolarHBondContact O-N 2.88Å; K174-D176 VanDerWaalsContact C-N 3.25Å; K174-D176 PolarHBondContact O-N 2.93Å; K174-V177 HydrophobicContact CB-CB 4.17Å; K174-V177 HydrophobicContact CB-CG2 4.1Å; K174-V177 HydrophobicContact CD-CG2 4.28Å; K174-V177 PolarHBondContact O-N 3.34Å; K174-V177 VanDerWaalsContact O-N 3.11Å; K174-I178 PolarHBondContact O-N 3.01Å; K174-I178 VanDerWaalsContact O-N 3.17Å
175H95.7Very high96.4Very high120 Ų12054.9 Ų54.956%0.55628%0.277SS*.Hα-helixtrans-55.4-40.2-178.6-60.9-65.4000112.2P172 W173 V177 I178 D179P172-H175 PolarHBondContact O-CE1 3.25Å; W173-H175 PolarHBondContact O-N 3.02Å; H175-V177 VanDerWaalsContact C-N 3.3Å; H175-V177 PolarHBondContact O-N 3.1Å; H175-I178 PolarHBondContact O-N 2.87Å; H175-I178 VanDerWaalsContact O-N 3.16Å; H175-D179 WeakPolarHBondContact O-CB 3.13Å; H175-D179 PolarHBondContact O-N 2.9Å
176D97.3Very high96.5Very high115 Ų11559 Ų5962%0.61530%0.302SS*.Hα-helixtrans-55.4-41.9176.665.2-52.3000113.3K174 A180K174-D176 VanDerWaalsContact C-N 3.25Å; K174-D176 PolarHBondContact O-N 2.93Å; D176-A180 VanDerWaalsContact O-CB 3.26Å; D176-A180 WeakPolarHBondContact O-CB 3.38Å; D176-A180 PolarHBondContact O-N 3.02Å; D176-A180 VanDerWaalsContact O-N 3.1Å
177V96.5Very high96.5Very high35 Ų3564.2 Ų64.221%0.21233%0.326CS..Hα-helixtrans-72.5-40.9179.2176.90000111.1T168 K174 H175 S181 L198T168-V177 HydrophobicContact CG2-CG1 3.65Å; K174-V177 HydrophobicContact CB-CB 4.17Å; K174-V177 HydrophobicContact CB-CG2 4.1Å; K174-V177 HydrophobicContact CD-CG2 4.28Å; K174-V177 PolarHBondContact O-N 3.34Å; K174-V177 VanDerWaalsContact O-N 3.11Å; H175-V177 VanDerWaalsContact C-N 3.3Å; H175-V177 PolarHBondContact O-N 3.1Å; V177-S181 WeakPolarHBondContact O-CB 3.19Å; V177-S181 PolarHBondContact O-N 2.91Å; V177-L198 HydrophobicContact CG1-CD1 3.78Å; V177-L198 HydrophobicContact CG1-CD2 4.18Å
178I97.7Very high96.7Very high19 Ų1969.9 Ų69.910%0.09734%0.34CS..Hα-helixtrans-66.3-49.5178.9-67171000109.8Y170 N171 K174 H175 A180 S181 Q182 L198Y170-I178 HydrophobicContact CE2-CD1 4.08Å; Y170-I178 HydrophobicContact CE2-CG1 4.18Å; N171-I178 WeakPolarHBondContact O-CD1 3.42Å; K174-I178 PolarHBondContact O-N 3.01Å; K174-I178 VanDerWaalsContact O-N 3.17Å; H175-I178 PolarHBondContact O-N 2.87Å; H175-I178 VanDerWaalsContact O-N 3.16Å; I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 2.89Å; I178-S181 CarbonylContact O-C 3.58Å; I178-S181 WeakPolarHBondContact O-CA 3.29Å; I178-S181 WeakPolarHBondContact O-CB 3.46Å; I178-S181 PolarHBondContact O-N 3.34Å; I178-Q182 HydrophobicContact CG2-CG 4.28Å; I178-Q182 WeakPolarHBondContact O-CG 3.19Å; I178-Q182 PolarHBondContact O-N 2.76Å; I178-L198 HydrophobicContact CG1-CD2 4.35Å
179D97.8Very high96.7Very high93 Ų9369.6 Ų69.650%0.49734%0.34SS..Hα-helixtrans-60.3-43.6179.6-65.7-16.4000111.1H175 S181 Q182 K183H175-D179 WeakPolarHBondContact O-CB 3.13Å; H175-D179 PolarHBondContact O-N 2.9Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 3.23Å; D179-Q182 PolarHBondContact O-N 3.25Å; D179-K183 VanDerWaalsContact O-CB 3.23Å; D179-K183 WeakPolarHBondContact O-CB 3.31Å; D179-K183 PolarHBondContact O-N 3.26Å
180A97.5Very high96.7Very high58 Ų5868.4 Ų68.448%0.47936%0.357SS..Hα-helixtrans-63.1-37175.300000112.6D176 I178 F184D176-A180 VanDerWaalsContact O-CB 3.26Å; D176-A180 WeakPolarHBondContact O-CB 3.38Å; D176-A180 PolarHBondContact O-N 3.02Å; D176-A180 VanDerWaalsContact O-N 3.1Å; I178-A180 VanDerWaalsContact C-N 3.34Å; I178-A180 PolarHBondContact O-N 2.89Å; A180-F184 WeakPolarHBondContact O-CB 3.27Å; A180-F184 PolarHBondContact O-N 2.94Å; A180-F184 VanDerWaalsContact O-N 3.08Å
181S97.9Very high96.7Very high7 Ų769.5 Ų69.55%0.04936%0.364CS..Hα-helixtrans-67.3-45.7175.3177.80000111.7V177 I178 D179 F184 A185 L198 V199V177-S181 WeakPolarHBondContact O-CB 3.19Å; V177-S181 PolarHBondContact O-N 2.91Å; I178-S181 CarbonylContact O-C 3.58Å; I178-S181 WeakPolarHBondContact O-CA 3.29Å; I178-S181 WeakPolarHBondContact O-CB 3.46Å; I178-S181 PolarHBondContact O-N 3.34Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 3.23Å; S181-F184 WeakPolarHBondContact O-CB 3.39Å; S181-F184 PolarHBondContact O-N 3.38Å; S181-A185 PolarHBondContact O-N 3.2Å; S181-L198 WeakPolarHBondContact OG-CA 3.44Å; S181-V199 WeakPolarHBondContact O-CG2 3.14Å; S181-V199 PolarHBondContact OG-N 3Å
182Q98.3Very high96.7Very high61 Ų6174.1 Ų74.129%0.28538%0.382SS..Hα-helixtrans-67.1-42.1178.6-70-176.6-14.600112.1I178 D179 F184 A185 V186 P193 F194I178-Q182 HydrophobicContact CG2-CG 4.28Å; I178-Q182 WeakPolarHBondContact O-CG 3.19Å; I178-Q182 PolarHBondContact O-N 2.76Å; D179-Q182 PolarHBondContact O-N 3.25Å; Q182-F184 VanDerWaalsContact C-N 3.3Å; Q182-F184 PolarHBondContact O-N 3.34Å; Q182-A185 WeakPolarHBondContact O-CA 3.38Å; Q182-A185 WeakPolarHBondContact O-CB 3.21Å; Q182-A185 PolarHBondContact O-N 3.31Å; Q182-A185 VanDerWaalsContact O-N 3.07Å; Q182-V186 PolarHBondContact O-N 3.26Å; Q182-V186 VanDerWaalsContact O-N 3.13Å; Q182-P193 HydrophobicContact CB-CB 4Å; Q182-P193 HydrophobicContact CG-CB 3.89Å; Q182-F194 PolarHBondContact NE2-O 2.97Å; Q182-F194 VanDerWaalsContact NE2-O 3.08Å
183K98.1Very high96.9Very high120 Ų12075.7 Ų75.752%0.52239%0.392SS..Hα-helixtrans-57.5-44.7172.1-175.2176.5-174.9176.10111.3D179 A185 V186 E187D179-K183 VanDerWaalsContact O-CB 3.23Å; D179-K183 WeakPolarHBondContact O-CB 3.31Å; D179-K183 PolarHBondContact O-N 3.26Å; K183-A185 VanDerWaalsContact C-N 3.32Å; K183-A185 PolarHBondContact O-N 2.87Å; K183-V186 PolarHBondContact O-N 2.65Å; K183-E187 WeakPolarHBondContact CE-OE1 3.37Å; K183-E187 WeakPolarHBondContact CE-OE2 2.97Å; K183-E187 VanDerWaalsContact CG-CD 3.47Å; K183-E187 HydrophobicContact CG-CG 4.16Å; K183-E187 WeakPolarHBondContact CG-OE1 3.18Å; K183-E187 IonicContact NZ-OE1 2.68Å; K183-E187 WeakPolarHBondContact O-CB 3.37Å; K183-E187 WeakPolarHBondContact O-CG 3.25Å; K183-E187 PolarHBondContact O-N 2.83Å
184F97.4Very high97.1Very high56 Ų5670 Ų7025%0.24637%0.371CS..Hα-helixtrans-62.2-38.9174.6178.6-88.7000112.5A180 S181 Q182 V186 K188 A189 V199A180-F184 WeakPolarHBondContact O-CB 3.27Å; A180-F184 PolarHBondContact O-N 2.94Å; A180-F184 VanDerWaalsContact O-N 3.08Å; S181-F184 WeakPolarHBondContact O-CB 3.39Å; S181-F184 PolarHBondContact O-N 3.38Å; Q182-F184 VanDerWaalsContact C-N 3.3Å; Q182-F184 PolarHBondContact O-N 3.34Å; F184-V186 VanDerWaalsContact C-N 3.33Å; F184-V186 PolarHBondContact O-N 3.47Å; F184-K188 HydrophobicContact CD2-CB 3.65Å; F184-K188 HydrophobicContact CD2-CG 3.86Å; F184-K188 HydrophobicContact CE2-CB 3.54Å; F184-K188 HydrophobicContact CE2-CG 4.03Å; F184-K188 HydrophobicContact CG-CB 4.26Å; F184-K188 HydrophobicContact CZ-CB 4.06Å; F184-K188 PolarHBondContact O-N 3.1Å; F184-A189 HydrophobicContact CD1-CB 4.31Å; F184-A189 HydrophobicContact CE1-CB 3.98Å; F184-A189 PolarHBondContact O-N 3.04Å; F184-V199 HydrophobicContact CD1-CB 4.05Å; F184-V199 HydrophobicContact CD1-CG1 3.69Å; F184-V199 HydrophobicContact CD1-CG2 4.48Å; F184-V199 HydrophobicContact CE1-CG1 3.72Å
185A97.9Very high97.1Very high0 Ų069.4 Ų69.40%037%0.368CS..Iπ-helixtrans-55.4-48.6176.900000111.3S181 Q182 K183 A189 G190 I191 V199S181-A185 PolarHBondContact O-N 3.2Å; Q182-A185 WeakPolarHBondContact O-CA 3.38Å; Q182-A185 WeakPolarHBondContact O-CB 3.21Å; Q182-A185 PolarHBondContact O-N 3.31Å; Q182-A185 VanDerWaalsContact O-N 3.07Å; K183-A185 VanDerWaalsContact C-N 3.32Å; K183-A185 PolarHBondContact O-N 2.87Å; A185-A189 CarbonylContact O-C 3.56Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-G190 PolarHBondContact O-N 2.93Å; A185-I191 CarbonylContact C-O 3.47Å; A185-I191 HydrophobicContact CB-CG1 3.96Å; A185-I191 PolarHBondContact O-N 2.89Å; A185-V199 HydrophobicContact CB-CG2 3.72Å
186V97.8Very high97.2Very high90 Ų9064.5 Ų64.555%0.54535%0.346SS..Iπ-helixtrans-74.3-55.6-178.7-1790000111.7Q182 K183 F184 P193Q182-V186 PolarHBondContact O-N 3.26Å; Q182-V186 VanDerWaalsContact O-N 3.13Å; K183-V186 PolarHBondContact O-N 2.65Å; F184-V186 VanDerWaalsContact C-N 3.33Å; F184-V186 PolarHBondContact O-N 3.47Å; V186-P193 HydrophobicContact CG2-CG 3.62Å
187E97.4Very high97.3Very high118 Ų11859.1 Ų59.155%0.55132%0.317SS*.Iπ-helixtrans-79.5-28.9-166-65.3-178.6174.400114.1K183K183-E187 WeakPolarHBondContact CE-OE1 3.37Å; K183-E187 WeakPolarHBondContact CE-OE2 2.97Å; K183-E187 VanDerWaalsContact CG-CD 3.47Å; K183-E187 HydrophobicContact CG-CG 4.16Å; K183-E187 WeakPolarHBondContact CG-OE1 3.18Å; K183-E187 IonicContact NZ-OE1 2.68Å; K183-E187 WeakPolarHBondContact O-CB 3.37Å; K183-E187 WeakPolarHBondContact O-CG 3.25Å; K183-E187 PolarHBondContact O-N 2.83Å
188K94.8Very high97.4Very high157 Ų15757.8 Ų57.868%0.68331%0.308SS*.Iπ-helixtrans-118.9-39.3-171.8-60.9-60-179.4-169.10113.1F184F184-K188 HydrophobicContact CD2-CB 3.65Å; F184-K188 HydrophobicContact CD2-CG 3.86Å; F184-K188 HydrophobicContact CE2-CB 3.54Å; F184-K188 HydrophobicContact CE2-CG 4.03Å; F184-K188 HydrophobicContact CG-CB 4.26Å; F184-K188 HydrophobicContact CZ-CB 4.06Å; F184-K188 PolarHBondContact O-N 3.1Å
189A94.8Very high97.4Very high22 Ų2256.9 Ų56.918%0.18230%0.304CS..Iπ-helixtrans-88.4-25.6-178.900000113.1F184 A185 I191 Y277F184-A189 HydrophobicContact CD1-CB 4.31Å; F184-A189 HydrophobicContact CE1-CB 3.98Å; F184-A189 PolarHBondContact O-N 3.04Å; A185-A189 CarbonylContact O-C 3.56Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A189-I191 VanDerWaalsContact C-N 3.33Å; A189-I191 HydrophobicContact CB-CD1 4.06Å; A189-I191 HydrophobicContact CB-CG1 3.87Å; A189-Y277 HydrophobicContact CB-CD2 4.31Å; A189-Y277 HydrophobicContact CB-CE2 3.48Å; A189-Y277 VanDerWaalsContact CB-CE2 3.48Å
190G95.5Very high97.4Very high67 Ų6752.5 Ų52.569%0.69128%0.281SS*.  trans66.233.5-176.700000113A185A185-G190 PolarHBondContact O-N 2.93Å
191I97.5Very high97.2Very high43 Ų4354.6 Ų54.622%0.22128%0.276CS..SBendtrans-120.9160.4-179.366-179.5000110.8A185 A189 F194 V199 Y277A185-I191 CarbonylContact C-O 3.47Å; A185-I191 HydrophobicContact CB-CG1 3.96Å; A185-I191 PolarHBondContact O-N 2.89Å; A189-I191 VanDerWaalsContact C-N 3.33Å; A189-I191 HydrophobicContact CB-CD1 4.06Å; A189-I191 HydrophobicContact CB-CG1 3.87Å; I191-F194 HydrophobicContact CD1-CE1 4.41Å; I191-F194 HydrophobicContact CD1-CE2 3.9Å; I191-F194 HydrophobicContact CD1-CZ 3.69Å; I191-V199 HydrophobicContact CD1-CG1 4.29Å; I191-V199 HydrophobicContact CD1-CG2 4.5Å; I191-Y277 HydrophobicContact CD1-CD1 4.19Å; I191-Y277 HydrophobicContact CD1-CD2 4.02Å; I191-Y277 HydrophobicContact CD1-CE2 4.49Å; I191-Y277 HydrophobicContact CD1-CG 3.86Å; I191-Y277 HydrophobicContact CG2-CD2 3.92Å
192K97Very high96.9Very high132 Ų13259.6 Ų59.657%0.57429%0.294SS*.PPolyproline II helixtrans-56.7133171.3-178.6-174.2170.3-164.80109.6F194K192-F194 PolarHBondContact O-N 3.42Å
193P97.9Very high96.6Very high47 Ų4763.7 Ų63.731%0.30531%0.307SS..PPolyproline II helixtrans-56.2128.7173-24.132.9000111.6Q182 V186Q182-P193 HydrophobicContact CB-CB 4Å; Q182-P193 HydrophobicContact CG-CB 3.89Å; V186-P193 HydrophobicContact CG2-CG 3.62Å
194F98.3Very high96.3Very high11 Ų1159.1 Ų59.15%0.04829%0.294CS..PPolyproline II helixtrans-74.5146.3172.5-60.9-36.1000110.9Q182 I191 K192 V197 V199 R281 D284Q182-F194 PolarHBondContact NE2-O 2.97Å; Q182-F194 VanDerWaalsContact NE2-O 3.08Å; I191-F194 HydrophobicContact CD1-CE1 4.41Å; I191-F194 HydrophobicContact CD1-CE2 3.9Å; I191-F194 HydrophobicContact CD1-CZ 3.69Å; K192-F194 PolarHBondContact O-N 3.42Å; F194-V197 HydrophobicContact CB-CG2 3.9Å; F194-V197 WeakPolarHBondContact CB-O 3.35Å; F194-V197 HydrophobicContact CD2-CG2 3.88Å; F194-V197 HydrophobicContact CG-CG2 3.93Å; F194-V199 HydrophobicContact CD2-CG2 3.87Å; F194-V199 HydrophobicContact CE2-CG2 4.18Å; F194-R281 HydrophobicContact CE1-CB 3.88Å; F194-R281 HydrophobicContact CE1-CG 4.42Å; F194-R281 HydrophobicContact CZ-CB 4.27Å; F194-D284 WeakPolarHBondContact CA-OD2 3.35Å; F194-D284 HydrophobicContact CB-CB 4.35Å; F194-D284 HydrophobicContact CD1-CB 3.89Å; F194-D284 HydrophobicContact CG-CB 4.28Å
195K96.9Very high96.1Very high87 Ų8756.5 Ų56.538%0.37828%0.282SS..SBendtrans-99.8-39-177.5-63.9176.8-176.61710112.6Y170 D284 D288Y170-K195 WeakPolarHBondContact CE2-O 3.5Å; Y170-K195 PolarHBondContact OH-O 2.93Å; K195-D284 PolarHBondContact N-OD1 3.21Å; K195-D284 PolarHBondContact N-OD2 2.75Å; K195-D284 VanDerWaalsContact N-OD2 3.08Å; K195-D288 VanDerWaalsContact CD-OD1 3.27Å; K195-D288 WeakPolarHBondContact CD-OD1 3.34Å; K195-D288 IonicContact NZ-OD1 3.59Å; K195-D288 PolarHBondContact NZ-OD1 3.45Å; K195-D288 IonicContact NZ-OD2 3.6Å; K195-D288 PolarHBondContact NZ-OD2 3.26Å
196H97.8Very high95.9Very high17 Ų1757.4 Ų57.48%0.07929%0.286CS..SBendtrans-117.7-6.1-167.9-62.6-73.9000113.5H236 D284 I287 D288H196-H236 AromaticContact CG-ND1 3.88Å; H196-H236 AromaticContact ND1-CG 3.46Å; H196-H236 AromaticContact ND1-ND1 3.21Å; H196-H236 PolarHBondContact ND1-ND1 2.82Å; H196-H236 PolarHBondContact O-CE1 3.02Å; H196-D284 WeakPolarHBondContact CA-OD1 3.48Å; H196-D284 PolarHBondContact N-OD1 3.09Å; H196-I287 HydrophobicContact CB-CB 3.77Å; H196-I287 HydrophobicContact CB-CD1 4.4Å; H196-I287 HydrophobicContact CB-CG2 3.49Å; H196-I287 VanDerWaalsContact CB-CG2 3.49Å; H196-D288 IonicContact CD2-OD1 3.62Å; H196-D288 IonicContact NE2-OD1 3.98Å; H196-D288 PolarHBondContact NE2-OD1 3.1Å
197V98.3Very high95.7Very high2 Ų254.3 Ų54.31%0.01227%0.266CS..SBendtrans-134.5159171.8-61.60000110.5N86 F194 Y280 K283 D284 I287N86-V197 HydrophobicContact CB-CG1 4.23Å; F194-V197 HydrophobicContact CB-CG2 3.9Å; F194-V197 WeakPolarHBondContact CB-O 3.35Å; F194-V197 HydrophobicContact CD2-CG2 3.88Å; F194-V197 HydrophobicContact CG-CG2 3.93Å; V197-Y280 HydrophobicContact CB-CD1 4.08Å; V197-Y280 HydrophobicContact CG2-CD1 3.9Å; V197-K283 HydrophobicContact CG1-CB 4.19Å; V197-D284 HydrophobicContact CG2-CB 3.85Å; V197-D284 PolarHBondContact N-OD1 3.26Å; V197-I287 HydrophobicContact CG1-CD1 4.03Å
198L98.4Very high95.6Very high6 Ų648.8 Ų48.83%0.03124%0.241CC..PPolyproline II helixtrans-85.9154.5171.4-53.3176.1000110.6E166 T168 Y170 V177 I178 S181 P200E166-L198 HydrophobicContact CB-CB 4.05Å; E166-L198 HydrophobicContact CB-CD1 4.5Å; E166-L198 HydrophobicContact CG-CB 3.99Å; E166-L198 VanDerWaalsContact OE2-CB 3.27Å; E166-L198 WeakPolarHBondContact OE2-CB 3.18Å; E166-L198 WeakPolarHBondContact OE2-CG 3.48Å; E166-L198 PolarHBondContact OE2-N 2.89Å; T168-L198 HydrophobicContact CG2-CD1 3.26Å; Y170-L198 HydrophobicContact CD2-CD2 3.94Å; Y170-L198 HydrophobicContact CD2-CG 4.15Å; V177-L198 HydrophobicContact CG1-CD1 3.78Å; V177-L198 HydrophobicContact CG1-CD2 4.18Å; I178-L198 HydrophobicContact CG1-CD2 4.35Å; S181-L198 WeakPolarHBondContact OG-CA 3.44Å; L198-P200 WeakPolarHBondContact O-CD 3.48Å
199V98.1Very high95.6Very high1 Ų141.4 Ų41.41%0.00621%0.209CC..PPolyproline II helixtrans-67.6121177.2-1780000109S181 F184 A185 I191 F194 Y277S181-V199 WeakPolarHBondContact O-CG2 3.14Å; S181-V199 PolarHBondContact OG-N 3Å; F184-V199 HydrophobicContact CD1-CB 4.05Å; F184-V199 HydrophobicContact CD1-CG1 3.69Å; F184-V199 HydrophobicContact CD1-CG2 4.48Å; F184-V199 HydrophobicContact CE1-CG1 3.72Å; A185-V199 HydrophobicContact CB-CG2 3.72Å; I191-V199 HydrophobicContact CD1-CG1 4.29Å; I191-V199 HydrophobicContact CD1-CG2 4.5Å; F194-V199 HydrophobicContact CD2-CG2 3.87Å; F194-V199 HydrophobicContact CE2-CG2 4.18Å; V199-Y277 HydrophobicContact CG1-CD1 4.12Å; V199-Y277 HydrophobicContact CG1-CE1 3.62Å
200P97.3Very high95.6Very high1 Ų145.4 Ų45.41%0.00623%0.227CC..PPolyproline II helixtrans-69.3148.9-176.132.1-40.4000111.9P165 L198 L276 Y277 Y280P165-P200 HydrophobicContact CB-CB 3.59Å; L198-P200 WeakPolarHBondContact O-CD 3.48Å; P200-L276 HydrophobicContact CB-CD1 4.17Å; P200-L276 HydrophobicContact CB-CD2 3.8Å; P200-L276 HydrophobicContact CB-CG 3.77Å; P200-L276 HydrophobicContact CG-CD1 4.27Å; P200-L276 HydrophobicContact CG-CD2 4.02Å; P200-L276 HydrophobicContact CG-CG 3.59Å; P200-Y277 HydrophobicContact CG-CD1 3.98Å; P200-Y277 HydrophobicContact CG-CE1 4.38Å; P200-Y280 HydrophobicContact CB-CD1 4.31Å; P200-Y280 HydrophobicContact CB-CD2 3.77Å; P200-Y280 HydrophobicContact CB-CE1 4.27Å; P200-Y280 HydrophobicContact CB-CE2 3.67Å; P200-Y280 HydrophobicContact CB-CG 4.07Å; P200-Y280 HydrophobicContact CG-CD1 4.17Å; P200-Y280 HydrophobicContact CG-CD2 3.5Å; P200-Y280 HydrophobicContact CG-CE2 3.97Å; P200-Y280 HydrophobicContact CG-CG 3.6Å
201R93.6Very high95.4Very high102 Ų10244.4 Ų44.439%0.38520%0.204SC..PPolyproline II helixtrans-102.4118.9-178.9-53.1-56.1-178.7177.7-2.7110.7P165 R203P165-R201 PolarHBondContact O-N 3.35Å; R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.15Å
202R92.6Very high95.3Very high111 Ų11142.6 Ų42.642%0.41920%0.195SC..Hα-helixtrans-61.5-33.5-175.172.7-176.2176.985-5.3115.4G204 I205 Q206 T273R202-G204 VanDerWaalsContact C-N 3.34Å; R202-G204 PolarHBondContact O-N 3.01Å; R202-I205 PolarHBondContact O-N 2.77Å; R202-Q206 VanDerWaalsContact O-CB 3.3Å; R202-Q206 WeakPolarHBondContact O-CB 3.45Å; R202-Q206 PolarHBondContact O-N 3.41Å; R202-T273 WeakPolarHBondContact CD-OG1 3.46Å
203R91.4Very high95.1Very high148 Ų14838.7 Ų38.756%0.55818%0.179SC*.Hα-helixtrans-57.3-43.3-162.4-172.4176.5-177.2174-0.3113.1R201 L207R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.15Å; R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 PolarHBondContact O-N 3.29Å; R203-L207 VanDerWaalsContact O-N 3.08Å
204G91.6Very high94.9Very high24 Ų2441.9 Ų41.925%0.24719%0.194CC..Hα-helixtrans-67.7-50.9-179.400000112.5R202 Q206 L207 I208R202-G204 VanDerWaalsContact C-N 3.34Å; R202-G204 PolarHBondContact O-N 3.01Å; G204-Q206 VanDerWaalsContact C-N 3.33Å; G204-Q206 PolarHBondContact O-N 2.72Å; G204-L207 PolarHBondContact O-N 2.69Å; G204-I208 WeakPolarHBondContact O-CG1 3.44Å; G204-I208 PolarHBondContact O-N 3.05Å; G204-I208 VanDerWaalsContact O-N 3.14Å
205I93.6Very high94.7Very high0 Ų042.3 Ų42.30%020%0.198CC..Hα-helixtrans-59-47.3176.5-72.2164.9000110.6L82 I84 I163 P165 R202 L207 I208 L209 I272 L276L82-I205 HydrophobicContact CD2-CG2 4.3Å; I84-I205 HydrophobicContact CG2-CD1 4.2Å; I84-I205 HydrophobicContact CG2-CG1 4.4Å; I163-I205 HydrophobicContact CD1-CG1 4.32Å; I163-I205 HydrophobicContact CG2-CG1 4.07Å; P165-I205 HydrophobicContact CB-CD1 3.75Å; P165-I205 HydrophobicContact CG-CD1 3.28Å; P165-I205 HydrophobicContact CG-CG1 4.01Å; R202-I205 PolarHBondContact O-N 2.77Å; I205-L207 VanDerWaalsContact C-N 3.31Å; I205-L207 PolarHBondContact O-N 2.82Å; I205-I208 PolarHBondContact O-N 3.18Å; I205-L209 HydrophobicContact CG2-CD1 3.53Å; I205-L209 HydrophobicContact CG2-CG 3.99Å; I205-L209 WeakPolarHBondContact O-CG 3.39Å; I205-L209 PolarHBondContact O-N 2.88Å; I205-I272 HydrophobicContact CG2-CD1 4.31Å; I205-I272 HydrophobicContact CG2-CG1 4.33Å; I205-L276 HydrophobicContact CD1-CD1 3.51Å; I205-L276 HydrophobicContact CD1-CD2 3.59Å; I205-L276 HydrophobicContact CD1-CG 4.18Å
206Q93.8Very high94.6Very high20 Ų2038.4 Ų38.49%0.09318%0.181CC..Hα-helixtrans-61.4-41-177.4-176.4171.425.100111.9R202 G204 L209 N210 S269R202-Q206 VanDerWaalsContact O-CB 3.3Å; R202-Q206 WeakPolarHBondContact O-CB 3.45Å; R202-Q206 PolarHBondContact O-N 3.41Å; G204-Q206 VanDerWaalsContact C-N 3.33Å; G204-Q206 PolarHBondContact O-N 2.72Å; Q206-L209 PolarHBondContact O-N 2.83Å; Q206-N210 VanDerWaalsContact O-CB 3.3Å; Q206-N210 WeakPolarHBondContact O-CB 3.49Å; Q206-N210 PolarHBondContact O-N 2.83Å; Q206-N210 PolarHBondContact O-OD1 2.5Å; Q206-S269 VanDerWaalsContact NE2-CA 3.32Å; Q206-S269 PolarHBondContact NE2-OG 2.83Å
207L93.3Very high94.5Very high24 Ų2440.9 Ų40.913%0.12620%0.195CC..Hα-helixtrans-63.8-43.1176.9-171153.3000111.3F140 A142 A145 I146 L149 R203 G204 I205 Q211F140-L207 HydrophobicContact CE1-CD1 3.51Å; F140-L207 HydrophobicContact CZ-CD1 3.71Å; A142-L207 HydrophobicContact CB-CD1 3.99Å; A145-L207 HydrophobicContact CB-CD1 4.33Å; A145-L207 HydrophobicContact CB-CD2 4.03Å; I146-L207 HydrophobicContact CG1-CD1 4.27Å; I146-L207 HydrophobicContact CG1-CD2 4.09Å; I146-L207 HydrophobicContact CG1-CG 4.24Å; L149-L207 HydrophobicContact CD1-CD2 3.17Å; R203-L207 WeakPolarHBondContact O-CB 3.44Å; R203-L207 PolarHBondContact O-N 3.29Å; R203-L207 VanDerWaalsContact O-N 3.08Å; G204-L207 PolarHBondContact O-N 2.69Å; I205-L207 VanDerWaalsContact C-N 3.31Å; I205-L207 PolarHBondContact O-N 2.82Å; L207-Q211 PolarHBondContact O-N 3.05Å
208I94.9Very high94.4Very high3 Ų340.8 Ų40.82%0.01519%0.194CC..Hα-helixtrans-61.3-49.5175.8-65.7163.7000110.6L82 V112 L149 M161 I163 G204 I205 Q211 M212L82-I208 HydrophobicContact CD1-CD1 4.16Å; L82-I208 HydrophobicContact CD1-CG2 4.1Å; L82-I208 HydrophobicContact CD2-CG2 4.2Å; V112-I208 HydrophobicContact CG2-CD1 3.95Å; L149-I208 HydrophobicContact CD1-CG1 4.3Å; L149-I208 HydrophobicContact CD2-CG1 4.15Å; L149-I208 HydrophobicContact CD2-CG2 4.48Å; M161-I208 HydrophobicContact CG-CD1 3.84Å; M161-I208 HydrophobicContact CG-CG1 4.35Å; M161-I208 HydrophobicContact CG-CG2 4.11Å; I163-I208 HydrophobicContact CB-CD1 4.39Å; I163-I208 HydrophobicContact CD1-CD1 4.03Å; I163-I208 HydrophobicContact CG2-CD1 4.42Å; G204-I208 WeakPolarHBondContact O-CG1 3.44Å; G204-I208 PolarHBondContact O-N 3.05Å; G204-I208 VanDerWaalsContact O-N 3.14Å; I205-I208 PolarHBondContact O-N 3.18Å; I208-Q211 PolarHBondContact O-N 3.21Å; I208-M212 HydrophobicContact CG2-SD 4.21Å; I208-M212 WeakPolarHBondContact O-CB 3.44Å; I208-M212 PolarHBondContact O-N 2.78Å
209L95.3Very high94.4Very high2 Ų240.5 Ų40.51%0.0119%0.193CC..Hα-helixtrans-61.7-46179.9-70.6175.6000111.5L82 I205 Q206 Q211 M212 H213 L216 I262 I265 I272L82-L209 HydrophobicContact CD2-CD2 3.82Å; L82-L209 HydrophobicContact CD2-CG 4.11Å; I205-L209 HydrophobicContact CG2-CD1 3.53Å; I205-L209 HydrophobicContact CG2-CG 3.99Å; I205-L209 WeakPolarHBondContact O-CG 3.39Å; I205-L209 PolarHBondContact O-N 2.88Å; Q206-L209 PolarHBondContact O-N 2.83Å; L209-Q211 PolarHBondContact O-N 3.48Å; L209-Q211 VanDerWaalsContact O-N 3.11Å; L209-M212 PolarHBondContact O-N 2.68Å; L209-H213 WeakPolarHBondContact O-CA 3.25Å; L209-H213 WeakPolarHBondContact O-CB 3.45Å; L209-H213 PolarHBondContact O-N 2.96Å; L209-L216 HydrophobicContact CD2-CD1 4.43Å; L209-I262 HydrophobicContact CD2-CD1 3.7Å; L209-I265 HydrophobicContact CD1-CG2 3.74Å; L209-I265 HydrophobicContact CD2-CG2 4.35Å; L209-I272 HydrophobicContact CD1-CD1 3.58Å; L209-I272 HydrophobicContact CD1-CG1 4.05Å
210N93.8Very high94.4Very high106 Ų10640.5 Ų40.557%0.56719%0.192SC*.Hα-helixtrans-55.9-33.6178-73.1-4000112.6Q206Q206-N210 VanDerWaalsContact O-CB 3.3Å; Q206-N210 WeakPolarHBondContact O-CB 3.49Å; Q206-N210 PolarHBondContact O-N 2.83Å; Q206-N210 PolarHBondContact O-OD1 2.5Å
211Q93Very high94.4Very high45 Ų4540.5 Ų40.521%0.2119%0.193CC..Hα-helixtrans-92.7-33.1-177-163.455.253.200114L149 N150 K153 L207 I208 L209L149-Q211 HydrophobicContact CB-CB 4.14Å; L149-Q211 HydrophobicContact CB-CG 3.71Å; L149-Q211 HydrophobicContact CD1-CB 4.1Å; L149-Q211 HydrophobicContact CD1-CG 4.48Å; N150-Q211 VanDerWaalsContact OD1-CD 3.24Å; N150-Q211 PolarHBondContact OD1-NE2 3.33Å; K153-Q211 PolarHBondContact NZ-O 3.03Å; L207-Q211 PolarHBondContact O-N 3.05Å; I208-Q211 PolarHBondContact O-N 3.21Å; L209-Q211 PolarHBondContact O-N 3.48Å; L209-Q211 VanDerWaalsContact O-N 3.11Å
212M93.5Very high94.7Very high5 Ų535.7 Ų35.73%0.02517%0.174CC..Hα-helixtrans-118.9-4.6-167.3-61.7-171.370.100114.8L149 I152 I208 L209 D214 C215 L216L149-M212 HydrophobicContact CB-CG 4.44Å; L149-M212 HydrophobicContact CD2-CG 4.11Å; L149-M212 HydrophobicContact CD2-SD 3.38Å; L149-M212 WeakPolarHBondContact CD2-SD 3.27Å; I152-M212 HydrophobicContact CB-CE 4.46Å; I152-M212 HydrophobicContact CG2-CE 3.57Å; I152-M212 HydrophobicContact CG2-SD 4.39Å; I208-M212 HydrophobicContact CG2-SD 4.21Å; I208-M212 WeakPolarHBondContact O-CB 3.44Å; I208-M212 PolarHBondContact O-N 2.78Å; L209-M212 PolarHBondContact O-N 2.68Å; M212-D214 PolarHBondContact O-N 2.88Å; M212-D214 VanDerWaalsContact O-N 3.12Å; M212-C215 PolarHBondContact O-N 2.94Å; M212-C215 PolarHBondContact O-SG 3.43Å; M212-L216 HydrophobicContact CB-CD1 3.99Å; M212-L216 HydrophobicContact CB-CG 4.06Å; M212-L216 HydrophobicContact CE-CD2 4.34Å; M212-L216 WeakPolarHBondContact O-CG 3.37Å; M212-L216 PolarHBondContact O-N 3.43Å; M212-L216 VanDerWaalsContact O-N 3.08Å
213H94.4Very high94.9Very high50 Ų5030.6 Ų30.623%0.23116%0.155CC..G310 helixtrans-53.3-37.4-175.3175.6-77.4000113.1L209 C215 I262 C267L209-H213 WeakPolarHBondContact O-CA 3.25Å; L209-H213 WeakPolarHBondContact O-CB 3.45Å; L209-H213 PolarHBondContact O-N 2.96Å; H213-C215 PolarHBondContact O-N 2.95Å; H213-I262 PolarHBondContact NE2-O 3.5Å; H213-C267 PolarHBondContact CD2-SG 3.39Å
214D93Very high95.2Very high115 Ų11523.7 Ų23.762%0.61513%0.13SC*.G310 helixtrans-70.8-12.1179.565-39.4000114.6K153 M212K153-D214 WeakPolarHBondContact CE-OD1 3.2Å; K153-D214 VanDerWaalsContact CE-OD2 3.22Å; K153-D214 WeakPolarHBondContact CE-OD2 3.26Å; K153-D214 IonicContact NZ-OD1 2.64Å; K153-D214 PolarHBondContact NZ-OD1 2.78Å; K153-D214 IonicContact NZ-OD2 3.88Å; K153-D214 PolarHBondContact NZ-OD2 3.11Å; M212-D214 PolarHBondContact O-N 2.88Å; M212-D214 VanDerWaalsContact O-N 3.12Å
215C93.2Very high95.5Very high20 Ų2023.2 Ų23.214%0.13512%0.122CC..G310 helixtrans-124.3-2-175.980.10000114R80 M212 H213R80-C215 WeakPolarHBondContact CB-O 3.26Å; R80-C215 WeakPolarHBondContact CD-O 3.44Å; M212-C215 PolarHBondContact O-N 2.94Å; M212-C215 PolarHBondContact O-SG 3.43Å; H213-C215 PolarHBondContact O-N 2.95Å
216L95.7Very high95.6Very high5 Ų523.6 Ų23.63%0.02612%0.124CC..  trans-86.5147.1172.6-70.4168.5000109.6R80 L82 L209 M212 I262R80-L216 HydrophobicContact CB-CD2 4.32Å; L82-L216 HydrophobicContact CB-CD1 4.05Å; L209-L216 HydrophobicContact CD2-CD1 4.43Å; M212-L216 HydrophobicContact CB-CD1 3.99Å; M212-L216 HydrophobicContact CB-CG 4.06Å; M212-L216 HydrophobicContact CE-CD2 4.34Å; M212-L216 WeakPolarHBondContact O-CG 3.37Å; M212-L216 PolarHBondContact O-N 3.43Å; M212-L216 VanDerWaalsContact O-N 3.08Å; L216-I262 HydrophobicContact CB-CB 4.27Å; L216-I262 HydrophobicContact CB-CD1 3.91Å; L216-I262 HydrophobicContact CB-CG1 3.87Å; L216-I262 HydrophobicContact CD1-CD1 3.86Å; L216-I262 HydrophobicContact CD1-CG1 4.47Å; L216-I262 WeakPolarHBondContact O-CG2 3.23Å
217D95.8Very high95.7Very high69 Ų6922.7 Ų22.737%0.36912%0.12SC..  trans-90.1-39.5173.9-61.6-54.1000111.1E79 R80 I262E79-D217 WeakPolarHBondContact CA-OD2 3.34Å; E79-D217 HydrophobicContact CB-CB 4.46Å; R80-D217 PolarHBondContact N-OD2 3.03Å; R80-D217 PolarHBondContact O-N 2.66Å; D217-I262 PolarHBondContact O-N 2.65Å; D217-I262 VanDerWaalsContact O-N 3.1Å
218A96.9Very high95.8Very high0 Ų022.2 Ų22.20%012%0.117CC..EExtended strand (participates in β ladder)trans-157.4162.1-17500000113.2R80 V81 L82 Y220 R259 I260R80-A218 PolarHBondContact O-N 2.64Å; V81-A218 WeakPolarHBondContact CA-O 3.48Å; L82-A218 PolarHBondContact N-O 3.04Å; A218-Y220 HydrophobicContact CB-CD1 4.2Å; A218-Y220 HydrophobicContact CB-CE1 4.05Å; A218-R259 HydrophobicContact CB-CG 3.91Å; A218-I260 CarbonylContact C-O 3.51Å; A218-I260 VanDerWaalsContact CA-O 3.26Å; A218-I260 WeakPolarHBondContact CA-O 3.49Å; A218-I260 WeakPolarHBondContact CB-O 3.24Å
219L97.7Very high95.6Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-102.9130.9161.4-179.8153.8000109L82 I84 D221 I260 I265 W275L82-L219 HydrophobicContact CB-CG 4.49Å; L82-L219 HydrophobicContact CD2-CD1 3.96Å; L82-L219 HydrophobicContact CG-CD1 4.17Å; L82-L219 HydrophobicContact CG-CG 4.41Å; L82-L219 CarbonylContact O-C 3.49Å; L82-L219 VanDerWaalsContact O-CA 3.24Å; L82-L219 WeakPolarHBondContact O-CA 3.49Å; I84-L219 HydrophobicContact CD1-CD1 4.38Å; I84-L219 HydrophobicContact CD1-CD2 3.87Å; I84-L219 HydrophobicContact CG1-CD2 3.96Å; I84-L219 HydrophobicContact CG2-CD1 4.4Å; L219-D221 HydrophobicContact CD2-CB 3.9Å; L219-I260 HydrophobicContact CD2-CD1 4.48Å; L219-I260 PolarHBondContact N-O 3.37Å; L219-I260 PolarHBondContact O-N 2.96Å; L219-I265 HydrophobicContact CB-CD1 4.1Å; L219-I265 HydrophobicContact CB-CG1 4.14Å; L219-I265 HydrophobicContact CD1-CD1 4.3Å; L219-W275 HydrophobicContact CD1-CH2 3.67Å; L219-W275 HydrophobicContact CD1-CZ3 4.12Å; L219-W275 HydrophobicContact CD2-CH2 3.69Å; L219-W275 HydrophobicContact CD2-CZ2 4.31Å; L219-W275 HydrophobicContact CG-CH2 4.33Å
220Y97.7Very high95.5Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-101.8110.4174.2-82.940.2000108.4F73 E79 V81 L82 I84 Q103 W160 A218 L257 R259F73-Y220 HydrophobicContact CB-CE2 3.9Å; F73-Y220 HydrophobicContact CD2-CE2 4.19Å; F73-Y220 HydrophobicContact CG-CE2 4.37Å; E79-Y220 PolarHBondContact OE2-OH 3.21Å; V81-Y220 HydrophobicContact CB-CD1 4.39Å; V81-Y220 HydrophobicContact CG1-CD1 3.44Å; V81-Y220 VanDerWaalsContact CG1-CD1 3.44Å; V81-Y220 HydrophobicContact CG1-CD2 4.34Å; V81-Y220 HydrophobicContact CG1-CE1 4.11Å; V81-Y220 HydrophobicContact CG1-CG 3.58Å; V81-Y220 HydrophobicContact CG2-CD1 4.01Å; V81-Y220 HydrophobicContact CG2-CE1 3.8Å; L82-Y220 PolarHBondContact O-N 2.84Å; I84-Y220 PolarHBondContact N-O 3.23Å; Q103-Y220 PolarHBondContact NE2-OH 3.35Å; W160-Y220 AromaticContact CH2-CD2 3.45Å; W160-Y220 HydrophobicContact CH2-CD2 3.45Å; W160-Y220 VanDerWaalsContact CH2-CD2 3.45Å; W160-Y220 AromaticContact CH2-CE2 3.55Å; W160-Y220 HydrophobicContact CH2-CE2 3.55Å; W160-Y220 HydrophobicContact CH2-CG 4.26Å; W160-Y220 HydrophobicContact CZ2-CD2 4.08Å; W160-Y220 AromaticContact CZ2-CE2 3.83Å; W160-Y220 HydrophobicContact CZ2-CE2 3.83Å; W160-Y220 HydrophobicContact CZ3-CD2 4.15Å; A218-Y220 HydrophobicContact CB-CD1 4.2Å; A218-Y220 HydrophobicContact CB-CE1 4.05Å; Y220-L257 HydrophobicContact CD2-CD1 3.75Å; Y220-L257 HydrophobicContact CD2-CD2 4.05Å; Y220-L257 HydrophobicContact CD2-CG 4.1Å; Y220-L257 HydrophobicContact CE2-CD1 4Å; Y220-L257 HydrophobicContact CE2-CD2 4.12Å; Y220-R259 HydrophobicContact CD1-CB 4.27Å; Y220-R259 HydrophobicContact CD1-CG 4Å; Y220-R259 HydrophobicContact CE1-CB 4.01Å; Y220-R259 HydrophobicContact CE1-CG 3.49Å; Y220-R259 VanDerWaalsContact CE1-CG 3.49Å
221D98.2Very high95.5Very high2 Ų224.8 Ų24.81%0.01113%0.128CC..EExtended strand (participates in β ladder)trans-97.1107.7176.1-179.429.2000110I84 L219 K258 R279 K283I84-D221 HydrophobicContact CD1-CB 4.19Å; I84-D221 HydrophobicContact CG1-CB 4.05Å; I84-D221 WeakPolarHBondContact CG1-OD1 3.49Å; L219-D221 HydrophobicContact CD2-CB 3.9Å; D221-K258 HydrophobicContact CB-CB 4.38Å; D221-K258 PolarHBondContact N-O 3.07Å; D221-K258 PolarHBondContact O-N 3.45Å; D221-R279 IonicContact OD2-CZ 2.82Å; D221-R279 IonicContact OD2-NE 2.93Å; D221-R279 PolarHBondContact OD2-NE 3.25Å; D221-R279 IonicContact OD2-NH2 3.94Å; D221-R279 PolarHBondContact OD2-NH2 3.5Å; D221-K283 WeakPolarHBondContact OD1-CE 3.25Å; D221-K283 IonicContact OD1-NZ 2.65Å; D221-K283 PolarHBondContact OD1-NZ 2.89Å
222V98.2Very high95.7Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-112.4138.1-171.1177.60000111.4F83 I84 S85 N86 L99 I255 Y256 L257 K283F83-V222 HydrophobicContact CD2-CG2 4.1Å; F83-V222 HydrophobicContact CE2-CB 3.93Å; F83-V222 HydrophobicContact CE2-CG1 4.39Å; F83-V222 HydrophobicContact CE2-CG2 3.42Å; F83-V222 VanDerWaalsContact CE2-CG2 3.42Å; F83-V222 HydrophobicContact CZ-CB 3.81Å; F83-V222 HydrophobicContact CZ-CG1 4.1Å; F83-V222 HydrophobicContact CZ-CG2 3.87Å; I84-V222 PolarHBondContact O-N 3.06Å; S85-V222 WeakPolarHBondContact CA-O 3.05Å; S85-V222 WeakPolarHBondContact CB-O 3.45Å; S85-V222 PolarHBondContact OG-O 3.16Å; N86-V222 PolarHBondContact N-O 3.42Å; L99-V222 HydrophobicContact CD1-CG1 4.31Å; V222-I255 HydrophobicContact CG1-CG2 3.66Å; V222-Y256 CarbonylContact C-O 3.55Å; V222-Y256 VanDerWaalsContact CA-O 3.28Å; V222-Y256 WeakPolarHBondContact CA-O 3.3Å; V222-L257 HydrophobicContact CG2-CB 4.34Å; V222-L257 HydrophobicContact CG2-CD1 4.22Å; V222-L257 HydrophobicContact CG2-CG 4.03Å; V222-K283 PolarHBondContact O-NZ 2.85Å
223T98.2Very high95.9Very high4 Ų422.6 Ų22.63%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-119.6119.7168.7-50.80000109.3N86 I255 Y256 K283 F286 I287N86-T223 WeakPolarHBondContact OD1-CA 3.2Å; T223-I255 WeakPolarHBondContact O-CA 3.26Å; T223-Y256 PolarHBondContact N-O 3.42Å; T223-Y256 PolarHBondContact O-N 3Å; T223-K283 HydrophobicContact CG2-CB 4.27Å; T223-K283 HydrophobicContact CG2-CD 4.45Å; T223-K283 HydrophobicContact CG2-CG 4.39Å; T223-K283 WeakPolarHBondContact OG1-CD 3.46Å; T223-K283 VanDerWaalsContact OG1-CG 3.3Å; T223-K283 WeakPolarHBondContact OG1-CG 3.45Å; T223-F286 HydrophobicContact CG2-CD1 4.07Å; T223-F286 HydrophobicContact CG2-CE1 4.3Å; T223-I287 HydrophobicContact CG2-CD1 4.2Å; T223-I287 HydrophobicContact CG2-CG1 4.48Å
224T97.6Very high95.9Very high4 Ų423.2 Ų23.23%0.02512%0.119CC..EExtended strand (participates in β ladder)trans-101.4129.9178.8-55.20000109.5N86 L88 I95 F226 L253N86-T224 PolarHBondContact ND2-O 3.47Å; N86-T224 PolarHBondContact OD1-N 2.86Å; L88-T224 WeakPolarHBondContact CD1-O 3.4Å; I95-T224 HydrophobicContact CD1-CG2 3.83Å; I95-T224 HydrophobicContact CG2-CG2 4.27Å; T224-F226 HydrophobicContact CG2-CD2 4.38Å; T224-F226 HydrophobicContact CG2-CE2 4Å; T224-F226 HydrophobicContact CG2-CZ 4.31Å; T224-L253 HydrophobicContact CG2-CD2 4.13Å
225V97.6Very high96Very high14 Ų1417.8 Ų17.89%0.0859%0.09CC..EExtended strand (participates in β ladder)trans-122.7121.9171.3178.20000107.9P233 Y254 F286 L290 F355V225-P233 HydrophobicContact CG1-CB 4.07Å; V225-Y254 PolarHBondContact N-O 2.77Å; V225-Y254 PolarHBondContact O-N 2.98Å; V225-F286 HydrophobicContact CG2-CE1 4.06Å; V225-L290 HydrophobicContact CG1-CD1 4.14Å; V225-L290 HydrophobicContact CG2-CD1 3.79Å; V225-F355 HydrophobicContact CB-CE2 4.45Å; V225-F355 HydrophobicContact CG1-CE2 4.29Å
226F96.4Very high96Very high8 Ų818.1 Ų18.14%0.0359%0.09CC..EExtended strand (participates in β ladder)trans-80.9143.3177.9-64.6-101.9000109.5L88 A91 I95 T224 Y234 A240 P241 W246 L253L88-F226 HydrophobicContact CB-CD2 4.46Å; L88-F226 HydrophobicContact CB-CE2 3.72Å; L88-F226 HydrophobicContact CD1-CD2 3.7Å; L88-F226 HydrophobicContact CD1-CE2 3.55Å; L88-F226 HydrophobicContact CG-CE2 4.23Å; A91-F226 HydrophobicContact CB-CE1 3.97Å; A91-F226 HydrophobicContact CB-CZ 4.21Å; I95-F226 HydrophobicContact CD1-CE1 3.71Å; I95-F226 HydrophobicContact CD1-CZ 3.66Å; T224-F226 HydrophobicContact CG2-CD2 4.38Å; T224-F226 HydrophobicContact CG2-CE2 4Å; T224-F226 HydrophobicContact CG2-CZ 4.31Å; F226-Y234 VanDerWaalsContact C-CD2 3.44Å; F226-Y234 HydrophobicContact CB-CD2 3.58Å; F226-Y234 HydrophobicContact CB-CE2 4.09Å; F226-Y234 WeakPolarHBondContact O-CD2 3.25Å; F226-Y234 PolarHBondContact O-N 3.33Å; F226-A240 HydrophobicContact CD2-CB 4.02Å; F226-A240 HydrophobicContact CE2-CB 4.09Å; F226-P241 HydrophobicContact CB-CG 4.41Å; F226-P241 HydrophobicContact CD1-CG 3.73Å; F226-P241 HydrophobicContact CE1-CG 4.33Å; F226-P241 HydrophobicContact CG-CG 4.25Å; F226-W246 HydrophobicContact CD1-CH2 4.5Å; F226-W246 AromaticContact CD1-CZ2 3.55Å; F226-W246 HydrophobicContact CD1-CZ2 3.55Å; F226-W246 AromaticContact CE1-CZ2 3.51Å; F226-W246 HydrophobicContact CE1-CZ2 3.51Å; F226-L253 HydrophobicContact CD1-CD2 3.93Å; F226-L253 HydrophobicContact CE1-CD2 4.22Å; F226-L253 HydrophobicContact CG-CD2 4.39Å
227A96.2Very high95.8Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-136.2161.9176.800000111.4Y232 Y234 R251 S252 Y254A227-Y232 CarbonylContact C-O 3.26Å; A227-Y232 WeakPolarHBondContact CA-O 3.44Å; A227-Y232 VanDerWaalsContact CB-O 3.31Å; A227-Y232 WeakPolarHBondContact CB-O 3.46Å; A227-Y234 WeakPolarHBondContact O-CE2 3.44Å; A227-R251 WeakPolarHBondContact O-CB 3.29Å; A227-S252 PolarHBondContact N-O 3.21Å; A227-S252 PolarHBondContact O-N 2.79Å; A227-Y254 HydrophobicContact CB-CD2 3.85Å; A227-Y254 HydrophobicContact CB-CE2 3.61Å
228D94.6Very high95.7Very high14 Ų1419.9 Ų19.98%0.07510%0.102CC..  trans-69.6177.7172.971.820000112.7N230 G231 Y232 Y234 S252 R342D228-N230 PolarHBondContact O-N 2.94Å; D228-N230 WeakPolarHBondContact OD1-CA 3.5Å; D228-N230 WeakPolarHBondContact OD1-CB 3.43Å; D228-N230 PolarHBondContact OD1-N 2.93Å; D228-G231 PolarHBondContact O-N 3.3Å; D228-G231 PolarHBondContact OD1-N 2.83Å; D228-Y232 PolarHBondContact N-O 3.01Å; D228-Y232 PolarHBondContact OD1-N 2.84Å; D228-Y232 WeakPolarHBondContact OD2-CB 3.47Å; D228-Y234 VanDerWaalsContact CA-OH 3.24Å; D228-Y234 WeakPolarHBondContact CA-OH 3.34Å; D228-Y234 HydrophobicContact CB-CE1 4.06Å; D228-S252 VanDerWaalsContact O-CB 3.26Å; D228-S252 WeakPolarHBondContact O-CB 3.49Å; D228-S252 PolarHBondContact O-N 2.83Å; D228-S252 PolarHBondContact O-OG 2.8Å; D228-R342 IonicContact OD2-CZ 3.07Å; D228-R342 IonicContact OD2-NH1 3.4Å; D228-R342 PolarHBondContact OD2-NH1 2.83Å; D228-R342 IonicContact OD2-NH2 2.98Å; D228-R342 PolarHBondContact OD2-NH2 3.4Å
229E91.3Very high95.5Very high91 Ų9121.2 Ų21.243%0.42511%0.111SC..THydrogen-bonded Turntrans-61-22.5179.559.1-169.1-163.200113.5
230N92.5Very high95.4Very high75 Ų7522.4 Ų22.440%0.40112%0.121SC..THydrogen-bonded Turntrans-90.1-9.4177-58.2-48.1000112.4D228 N346D228-N230 PolarHBondContact O-N 2.94Å; D228-N230 WeakPolarHBondContact OD1-CA 3.5Å; D228-N230 WeakPolarHBondContact OD1-CB 3.43Å; D228-N230 PolarHBondContact OD1-N 2.93Å; N230-N346 WeakPolarHBondContact CB-OD1 3.46Å; N230-N346 PolarHBondContact ND2-ND2 3.34Å
231G94.4Very high95.1Very high0 Ų022.8 Ų22.80%012%0.123CC..  trans94.65.8-17900000113.7D228 P233 Y254 I351D228-G231 PolarHBondContact O-N 3.3Å; D228-G231 PolarHBondContact OD1-N 2.83Å; G231-P233 VanDerWaalsContact O-CD 3.29Å; G231-P233 WeakPolarHBondContact O-CD 3.42Å; G231-Y254 WeakPolarHBondContact O-CE2 3.49Å; G231-Y254 PolarHBondContact O-OH 2.91Å; G231-I351 WeakPolarHBondContact O-CG2 3.27Å
232Y96.5Very high94.7Very high0 Ų023.7 Ų23.70%013%0.132CC..PPolyproline II helixtrans-70.4119.2175.8-155.8-81.5000109.5A227 D228 Y234 F294 Y295 R342 C343 L344 I351A227-Y232 CarbonylContact C-O 3.26Å; A227-Y232 WeakPolarHBondContact CA-O 3.44Å; A227-Y232 VanDerWaalsContact CB-O 3.31Å; A227-Y232 WeakPolarHBondContact CB-O 3.46Å; D228-Y232 PolarHBondContact N-O 3.01Å; D228-Y232 PolarHBondContact OD1-N 2.84Å; D228-Y232 WeakPolarHBondContact OD2-CB 3.47Å; Y232-Y234 PolarHBondContact O-N 2.87Å; Y232-F294 HydrophobicContact CD1-CD1 4.45Å; Y232-F294 HydrophobicContact CE1-CB 4.1Å; Y232-F294 AromaticContact CE1-CD1 3.91Å; Y232-F294 HydrophobicContact CE1-CD1 3.91Å; Y232-F294 HydrophobicContact CE2-CD1 4.09Å; Y232-F294 AromaticContact CZ-CD1 3.71Å; Y232-F294 PolarHBondContact OH-O 2.93Å; Y232-Y295 HydrophobicContact CD1-CE2 4.49Å; Y232-Y295 HydrophobicContact CE1-CE1 4.13Å; Y232-Y295 AromaticContact CE1-CE2 3.95Å; Y232-Y295 HydrophobicContact CE1-CE2 3.95Å; Y232-Y295 AromaticContact CE1-CZ 3.61Å; Y232-R342 VanDerWaalsContact CB-NH1 3.34Å; Y232-R342 HydrophobicContact CD1-CG 4.33Å; Y232-R342 HydrophobicContact CE1-CB 4.15Å; Y232-R342 HydrophobicContact CE1-CG 3.7Å; Y232-R342 HydrophobicContact CE2-CB 4.35Å; Y232-R342 HydrophobicContact CE2-CG 4.47Å; Y232-R342 WeakPolarHBondContact OH-CA 3.39Å; Y232-R342 WeakPolarHBondContact OH-CB 3.33Å; Y232-C343 PolarHBondContact OH-N 3.44Å; Y232-L344 HydrophobicContact CE2-CB 4.12Å; Y232-L344 WeakPolarHBondContact CE2-O 3.37Å; Y232-L344 PolarHBondContact OH-N 2.81Å; Y232-I351 HydrophobicContact CD2-CD1 3.82Å; Y232-I351 HydrophobicContact CD2-CG1 4.08Å; Y232-I351 HydrophobicContact CG-CD1 4.46Å
233P96.9Very high94.2Very high4 Ų425.8 Ų25.83%0.02614%0.144CC..BIsolated β-bridgetrans-57137.1178.5-23.934.4000110.9V225 G231 F294 Y295 F355V225-P233 HydrophobicContact CG1-CB 4.07Å; G231-P233 VanDerWaalsContact O-CD 3.29Å; G231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-F294 HydrophobicContact CG-CD1 4.1Å; P233-F294 HydrophobicContact CG-CD2 4.48Å; P233-F294 HydrophobicContact CG-CE1 3.93Å; P233-F294 HydrophobicContact CG-CE2 4.32Å; P233-F294 HydrophobicContact CG-CG 4.38Å; P233-F294 HydrophobicContact CG-CZ 4.04Å; P233-Y295 VanDerWaalsContact O-CE2 3.25Å; P233-Y295 WeakPolarHBondContact O-CE2 3.48Å; P233-Y295 PolarHBondContact O-OH 3.43Å; P233-F355 HydrophobicContact CG-CD2 3.94Å; P233-F355 HydrophobicContact CG-CE2 4.27Å
234Y95.4Very high93.6Very high62 Ų6227.5 Ų27.524%0.24316%0.162CC..PPolyproline II helixtrans-68.7148.7178.1-73.4-64.1000112.2F226 A227 D228 Y232 H236 P241 R251F226-Y234 VanDerWaalsContact C-CD2 3.44Å; F226-Y234 HydrophobicContact CB-CD2 3.58Å; F226-Y234 HydrophobicContact CB-CE2 4.09Å; F226-Y234 WeakPolarHBondContact O-CD2 3.25Å; F226-Y234 PolarHBondContact O-N 3.33Å; A227-Y234 WeakPolarHBondContact O-CE2 3.44Å; D228-Y234 VanDerWaalsContact CA-OH 3.24Å; D228-Y234 WeakPolarHBondContact CA-OH 3.34Å; D228-Y234 HydrophobicContact CB-CE1 4.06Å; Y232-Y234 PolarHBondContact O-N 2.87Å; Y234-H236 PolarHBondContact O-N 3.24Å; Y234-P241 HydrophobicContact CE2-CG 4.33Å; Y234-R251 PolarHBondContact OH-NH1 3.33Å
235D94.8Very high93.2Very high2 Ų231.1 Ų31.11%0.01118%0.181CC..PPolyproline II helixtrans-62.2123169.4-175.6-12.5000110.5S237 I238 Q291 Y295 S338 N340D235-S237 PolarHBondContact O-N 2.7Å; D235-S237 VanDerWaalsContact OD1-CB 3.26Å; D235-S237 WeakPolarHBondContact OD1-CB 3.14Å; D235-S237 PolarHBondContact OD1-N 2.95Å; D235-S237 PolarHBondContact OD1-OG 3.46Å; D235-S237 PolarHBondContact OD2-OG 3.39Å; D235-I238 HydrophobicContact CB-CD1 4.25Å; D235-I238 HydrophobicContact CB-CG1 4.45Å; D235-I238 PolarHBondContact O-N 3.49Å; D235-Q291 PolarHBondContact OD1-NE2 3.01Å; D235-Q291 PolarHBondContact OD1-OE1 3.06Å; D235-Y295 HydrophobicContact CB-CD1 3.99Å; D235-Y295 HydrophobicContact CB-CD2 4Å; D235-Y295 HydrophobicContact CB-CE1 3.74Å; D235-Y295 HydrophobicContact CB-CE2 3.75Å; D235-Y295 HydrophobicContact CB-CG 4.11Å; D235-Y295 VanDerWaalsContact N-CZ 3.28Å; D235-Y295 PolarHBondContact N-OH 2.8Å; D235-Y295 VanDerWaalsContact N-OH 3.15Å; D235-S338 WeakPolarHBondContact OD2-CB 3.27Å; D235-S338 PolarHBondContact OD2-OG 2.78Å; D235-N340 PolarHBondContact OD1-ND2 2.89Å; D235-N340 WeakPolarHBondContact OD2-CB 3.34Å; D235-N340 PolarHBondContact OD2-ND2 2.79Å
236H94.2Very high92.7Very high27 Ų2730.5 Ų30.513%0.12518%0.177CC..THydrogen-bonded Turntrans-72.9-7.7-178.2-147.7-92.4000113.9Y170 P172 H196 Y234 I238 I287Y170-H236 AromaticContact CD1-CE1 3.37Å; Y170-H236 WeakPolarHBondContact CD1-CE1 3.38Å; Y170-H236 AromaticContact CD1-ND1 3.99Å; Y170-H236 AromaticContact CE1-CE1 3.16Å; Y170-H236 WeakPolarHBondContact CE1-CE1 3.3Å; Y170-H236 AromaticContact CE1-ND1 3.3Å; Y170-H236 VanDerWaalsContact CE1-ND1 3.3Å; Y170-H236 WeakPolarHBondContact CE1-ND1 3.4Å; Y170-H236 AromaticContact CZ-CE1 3.74Å; Y170-H236 AromaticContact CZ-ND1 3.73Å; P172-H236 WeakPolarHBondContact CB-O 3.42Å; P172-H236 WeakPolarHBondContact CG-O 3.49Å; H196-H236 AromaticContact CG-ND1 3.88Å; H196-H236 AromaticContact ND1-CG 3.46Å; H196-H236 AromaticContact ND1-ND1 3.21Å; H196-H236 PolarHBondContact ND1-ND1 2.82Å; H196-H236 PolarHBondContact O-CE1 3.02Å; Y234-H236 PolarHBondContact O-N 3.24Å; H236-I238 VanDerWaalsContact C-N 3.26Å; H236-I287 HydrophobicContact CB-CG2 4.34Å
237S91.4Very high92.2Very high47 Ų4730.4 Ų30.433%0.32918%0.177SC..THydrogen-bonded Turntrans-77.9-9.9168.880.10000113.4P172 D235 N340P172-S237 WeakPolarHBondContact CB-O 3.33Å; P172-S237 VanDerWaalsContact CG-C 3.42Å; P172-S237 VanDerWaalsContact CG-O 3.25Å; P172-S237 WeakPolarHBondContact CG-O 3.22Å; D235-S237 PolarHBondContact O-N 2.7Å; D235-S237 VanDerWaalsContact OD1-CB 3.26Å; D235-S237 WeakPolarHBondContact OD1-CB 3.14Å; D235-S237 PolarHBondContact OD1-N 2.95Å; D235-S237 PolarHBondContact OD1-OG 3.46Å; D235-S237 PolarHBondContact OD2-OG 3.39Å; S237-N340 PolarHBondContact OG-ND2 3.26Å
238I92Very high91.8Very high63 Ų6334.1 Ų34.132%0.32320%0.2SC..SBendtrans-105.8141.4172.1-57.3168.8000109P172 W173 D235 H236 A240P172-I238 VanDerWaalsContact CG-C 3.41Å; W173-I238 HydrophobicContact CZ2-CG2 4.44Å; D235-I238 HydrophobicContact CB-CD1 4.25Å; D235-I238 HydrophobicContact CB-CG1 4.45Å; D235-I238 PolarHBondContact O-N 3.49Å; H236-I238 VanDerWaalsContact C-N 3.26Å; I238-A240 PolarHBondContact O-N 3.36Å
239P94.2Very high91.4Very high29 Ų2938 Ų3819%0.18821%0.214CC..PPolyproline II helixtrans-58.8139.4175.5-24.634000112.8P172 W173P172-P239 HydrophobicContact CG-CG 4.2Å; W173-P239 HydrophobicContact CD2-CG 3.34Å; W173-P239 HydrophobicContact CE3-CG 3.41Å; W173-P239 VanDerWaalsContact CE3-CG 3.41Å; W173-P239 HydrophobicContact CG-CG 3.9Å; W173-P239 HydrophobicContact CH2-CG 3.9Å; W173-P239 HydrophobicContact CZ2-CG 3.86Å; W173-P239 HydrophobicContact CZ3-CG 3.68Å
240A94.6Very high91.4Very high25 Ų2536 Ų3621%0.20720%0.204CC..PPolyproline II helixtrans-58.1143.4172.500000111.2L88 F226 I238 G242L88-A240 HydrophobicContact CB-CB 3.75Å; F226-A240 HydrophobicContact CD2-CB 4.02Å; F226-A240 HydrophobicContact CE2-CB 4.09Å; I238-A240 PolarHBondContact O-N 3.36Å; A240-G242 PolarHBondContact O-N 2.9Å
241P92.6Very high91.4Very high8 Ų833.8 Ų33.85%0.05219%0.19CC..PPolyproline II helixtrans-61.9128.1-17523.6-33.4000111.7S89 F226 Y234 D245 W246S89-P241 WeakPolarHBondContact CB-O 3.47Å; S89-P241 PolarHBondContact OG-O 3.41Å; F226-P241 HydrophobicContact CB-CG 4.41Å; F226-P241 HydrophobicContact CD1-CG 3.73Å; F226-P241 HydrophobicContact CE1-CG 4.33Å; F226-P241 HydrophobicContact CG-CG 4.25Å; Y234-P241 HydrophobicContact CE2-CG 4.33Å; P241-D245 HydrophobicContact CB-CB 3.81Å; P241-W246 PolarHBondContact O-NE1 3.46Å
242G90Very high91.4Very high20 Ų2033.8 Ų33.821%0.20619%0.19CC..PPolyproline II helixtrans-74.9166.6173.500000111.9S89 A240 G244 D245 W246S89-G242 WeakPolarHBondContact OG-CA 3.39Å; A240-G242 PolarHBondContact O-N 2.9Å; G242-G244 PolarHBondContact O-N 3.1Å; G242-G244 VanDerWaalsContact O-N 3.08Å; G242-D245 WeakPolarHBondContact CA-OD2 3.45Å; G242-D245 PolarHBondContact N-OD2 2.77Å; G242-D245 WeakPolarHBondContact O-CB 3.36Å; G242-D245 PolarHBondContact O-N 2.94Å; G242-W246 VanDerWaalsContact O-CD1 3.26Å; G242-W246 PolarHBondContact O-N 2.88Å
243L86.5Confident91.3Very high45 Ų4533.8 Ų33.824%0.23619%0.19CC..Hα-helixtrans-54.4-34-174.9-167.267000114.1F53 F57 F94 W246F53-L243 HydrophobicContact CE1-CD1 4.39Å; F53-L243 HydrophobicContact CZ-CD1 3.91Å; F53-L243 HydrophobicContact CZ-CD2 4.04Å; F57-L243 HydrophobicContact CD1-CD1 3.35Å; F57-L243 HydrophobicContact CD1-CG 4.06Å; F57-L243 HydrophobicContact CD2-CD1 4.33Å; F57-L243 HydrophobicContact CE1-CD1 3.23Å; F57-L243 HydrophobicContact CE1-CD2 4.13Å; F57-L243 HydrophobicContact CE1-CG 3.38Å; F57-L243 HydrophobicContact CE2-CD1 4.21Å; F57-L243 HydrophobicContact CE2-CD2 4.36Å; F57-L243 HydrophobicContact CE2-CG 4.43Å; F57-L243 HydrophobicContact CG-CD1 3.91Å; F57-L243 HydrophobicContact CZ-CD1 3.68Å; F57-L243 HydrophobicContact CZ-CD2 3.8Å; F57-L243 HydrophobicContact CZ-CG 3.59Å; F94-L243 HydrophobicContact CD1-CD1 4.09Å; F94-L243 HydrophobicContact CE1-CD1 4.25Å; L243-W246 WeakPolarHBondContact O-CB 3.47Å; L243-W246 PolarHBondContact O-N 2.99Å
244G86.6Confident91.3Very high40 Ų4033.7 Ų33.741%0.41219%0.189SC..Hα-helixtrans-67.7-35.9175.100000113.3G242 W246 L247G242-G244 PolarHBondContact O-N 3.1Å; G242-G244 VanDerWaalsContact O-N 3.08Å; G244-W246 PolarHBondContact O-N 2.9Å; G244-L247 WeakPolarHBondContact O-CB 3.29Å; G244-L247 PolarHBondContact O-N 3.31Å
245D88.9Confident91.4Very high80 Ų8030.7 Ų30.743%0.42818%0.178SC..Hα-helixtrans-67.4-23.4179.7-54.8-51.2000112.5P241 G242 L247 R249 R251P241-D245 HydrophobicContact CB-CB 3.81Å; G242-D245 WeakPolarHBondContact CA-OD2 3.45Å; G242-D245 PolarHBondContact N-OD2 2.77Å; G242-D245 WeakPolarHBondContact O-CB 3.36Å; G242-D245 PolarHBondContact O-N 2.94Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-R249 PolarHBondContact O-N 3.01Å; D245-R251 PolarHBondContact O-NE 3.36Å; D245-R251 PolarHBondContact O-NH2 3.22Å
246W87.3Confident91.5Very high0 Ų030.9 Ų30.90%018%0.178CC..Hα-helixtrans-71.5-26.2172.6-76.382.9000112.6F57 N61 V62 F94 F226 P241 G242 L243 G244 V248 R251 L253F57-W246 HydrophobicContact CD1-CB 4.32Å; N61-W246 HydrophobicContact CB-CE3 4.3Å; N61-W246 VanDerWaalsContact CB-O 3.26Å; N61-W246 WeakPolarHBondContact CB-O 3.19Å; N61-W246 PolarHBondContact OD1-O 3.2Å; V62-W246 HydrophobicContact CB-CZ3 4.43Å; V62-W246 HydrophobicContact CG2-CE3 4.4Å; V62-W246 HydrophobicContact CG2-CH2 4.23Å; V62-W246 HydrophobicContact CG2-CZ3 3.57Å; F94-W246 HydrophobicContact CE1-CD2 4.18Å; F94-W246 HydrophobicContact CE1-CG 4.47Å; F94-W246 HydrophobicContact CE1-CZ2 4.43Å; F94-W246 AromaticContact CZ-CD2 3.83Å; F94-W246 HydrophobicContact CZ-CD2 3.83Å; F94-W246 AromaticContact CZ-CE2 3.79Å; F94-W246 AromaticContact CZ-CE3 3.88Å; F94-W246 HydrophobicContact CZ-CE3 3.88Å; F94-W246 AromaticContact CZ-CH2 3.87Å; F94-W246 HydrophobicContact CZ-CH2 3.87Å; F94-W246 AromaticContact CZ-CZ2 3.8Å; F94-W246 HydrophobicContact CZ-CZ2 3.8Å; F94-W246 AromaticContact CZ-CZ3 3.91Å; F94-W246 HydrophobicContact CZ-CZ3 3.91Å; F226-W246 HydrophobicContact CD1-CH2 4.5Å; F226-W246 AromaticContact CD1-CZ2 3.55Å; F226-W246 HydrophobicContact CD1-CZ2 3.55Å; F226-W246 AromaticContact CE1-CZ2 3.51Å; F226-W246 HydrophobicContact CE1-CZ2 3.51Å; P241-W246 PolarHBondContact O-NE1 3.46Å; G242-W246 VanDerWaalsContact O-CD1 3.26Å; G242-W246 PolarHBondContact O-N 2.88Å; L243-W246 WeakPolarHBondContact O-CB 3.47Å; L243-W246 PolarHBondContact O-N 2.99Å; G244-W246 PolarHBondContact O-N 2.9Å; W246-V248 VanDerWaalsContact C-N 3.29Å; W246-R251 HydrophobicContact CE3-CB 4.08Å; W246-R251 HydrophobicContact CE3-CG 4.35Å; W246-R251 HydrophobicContact CH2-CB 3.76Å; W246-R251 HydrophobicContact CZ2-CB 4.26Å; W246-R251 HydrophobicContact CZ3-CB 3.65Å; W246-R251 HydrophobicContact CZ3-CG 4.4Å; W246-L253 HydrophobicContact CH2-CD1 3.94Å; W246-L253 HydrophobicContact CH2-CD2 3.82Å; W246-L253 HydrophobicContact CH2-CG 3.87Å; W246-L253 HydrophobicContact CZ2-CD2 4.07Å
247L86.5Confident91.7Very high6 Ų629.6 Ų29.63%0.03117%0.172CC..THydrogen-bonded Turntrans-78.7-15.7178.1-58.6177.3000113Q7 F11 I56 F57 G244 D245Q7-L247 HydrophobicContact CG-CB 4.47Å; Q7-L247 WeakPolarHBondContact CG-O 3.02Å; F11-L247 HydrophobicContact CE1-CD1 4.38Å; F11-L247 HydrophobicContact CZ-CD1 4.43Å; I56-L247 HydrophobicContact CG2-CD2 4.36Å; F57-L247 HydrophobicContact CD1-CD2 4.13Å; F57-L247 HydrophobicContact CE1-CD1 4.49Å; F57-L247 HydrophobicContact CE1-CD2 3.46Å; F57-L247 VanDerWaalsContact CE1-CD2 3.46Å; F57-L247 HydrophobicContact CE1-CG 3.93Å; F57-L247 HydrophobicContact CZ-CD2 3.93Å; F57-L247 HydrophobicContact CZ-CG 4.47Å; G244-L247 WeakPolarHBondContact O-CB 3.29Å; G244-L247 PolarHBondContact O-N 3.31Å; D245-L247 VanDerWaalsContact C-N 3.33Å
248V86.8Confident92Very high79 Ų7930.1 Ų30.148%0.47917%0.169SC..THydrogen-bonded Turntrans-94.4-45.5-176-177.30000111.4W246W246-V248 VanDerWaalsContact C-N 3.29Å
249R87.1Confident92.3Very high96 Ų9629.1 Ų29.136%0.36216%0.161SC..SBendtrans-131.5142.1-179.6-65.8-167.3-178.1-172.54110.3D245 D330D245-R249 PolarHBondContact O-N 3.01Å; R249-D330 IonicContact CZ-OD1 3.81Å; R249-D330 IonicContact NH1-OD1 2.9Å; R249-D330 PolarHBondContact NH1-OD1 3.41Å; R249-D330 IonicContact NH2-OD1 3.8Å
250Q90.6Very high92.4Very high49 Ų4928.3 Ų28.323%0.22916%0.155CC..  trans-68.1152.6170.1-67.8-173.8-42.300110.1K6 M60 N61 R63K6-Q250 VanDerWaalsContact NZ-CD 3.34Å; K6-Q250 VanDerWaalsContact NZ-CG 3.33Å; M60-Q250 PolarHBondContact O-NE2 3.5Å; N61-Q250 VanDerWaalsContact O-CA 3.26Å; N61-Q250 WeakPolarHBondContact O-CA 3.45Å; R63-Q250 HydrophobicContact CB-CB 4.18Å
251R92.1Very high92.6Very high27 Ų2728.8 Ų28.810%0.10216%0.156CC..EExtended strand (participates in β ladder)trans-138.9151.6-177-58.3-178.1-174.5-90.6-9.4110.8N61 V62 R63 A227 Y234 D245 W246N61-R251 PolarHBondContact O-N 3.41Å; V62-R251 CarbonylContact C-O 3.57Å; V62-R251 WeakPolarHBondContact CA-O 3.4Å; R63-R251 PolarHBondContact N-O 2.91Å; A227-R251 WeakPolarHBondContact O-CB 3.29Å; Y234-R251 PolarHBondContact OH-NH1 3.33Å; D245-R251 PolarHBondContact O-NE 3.36Å; D245-R251 PolarHBondContact O-NH2 3.22Å; W246-R251 HydrophobicContact CE3-CB 4.08Å; W246-R251 HydrophobicContact CE3-CG 4.35Å; W246-R251 HydrophobicContact CH2-CB 3.76Å; W246-R251 HydrophobicContact CZ2-CB 4.26Å; W246-R251 HydrophobicContact CZ3-CB 3.65Å; W246-R251 HydrophobicContact CZ3-CG 4.4Å
252S94.7Very high92.8Very high1 Ų128.4 Ų28.41%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-101.4156.8172.8-55.20000110.3K64 A227 D228K64-S252 CarbonylContact O-C 3.36Å; K64-S252 VanDerWaalsContact O-CA 3.25Å; K64-S252 WeakPolarHBondContact O-CA 3.18Å; A227-S252 PolarHBondContact N-O 3.21Å; A227-S252 PolarHBondContact O-N 2.79Å; D228-S252 VanDerWaalsContact O-CB 3.26Å; D228-S252 WeakPolarHBondContact O-CB 3.49Å; D228-S252 PolarHBondContact O-N 2.83Å; D228-S252 PolarHBondContact O-OG 2.8Å
253L95.3Very high93.1Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-127.5133.3-179.8-69.8169.4000109.9V62 K64 I65 Y66 I95 M98 T224 F226 W246 I255V62-L253 HydrophobicContact CG1-CD1 4.48Å; V62-L253 HydrophobicContact CG2-CD1 4.32Å; K64-L253 PolarHBondContact O-N 3.23Å; I65-L253 CarbonylContact C-O 3.51Å; I65-L253 WeakPolarHBondContact CA-O 3.35Å; I65-L253 HydrophobicContact CG1-CB 4.5Å; I65-L253 HydrophobicContact CG2-CB 4.28Å; Y66-L253 PolarHBondContact N-O 3.42Å; I95-L253 HydrophobicContact CD1-CD1 4.1Å; I95-L253 HydrophobicContact CD1-CD2 3.75Å; I95-L253 HydrophobicContact CG1-CD1 3.94Å; I95-L253 HydrophobicContact CG2-CD1 4.29Å; M98-L253 HydrophobicContact CE-CD1 3.89Å; M98-L253 HydrophobicContact SD-CD1 4.33Å; T224-L253 HydrophobicContact CG2-CD2 4.13Å; F226-L253 HydrophobicContact CD1-CD2 3.93Å; F226-L253 HydrophobicContact CE1-CD2 4.22Å; F226-L253 HydrophobicContact CG-CD2 4.39Å; W246-L253 HydrophobicContact CH2-CD1 3.94Å; W246-L253 HydrophobicContact CH2-CD2 3.82Å; W246-L253 HydrophobicContact CH2-CG 3.87Å; W246-L253 HydrophobicContact CZ2-CD2 4.07Å; L253-I255 HydrophobicContact CB-CG1 4.36Å
254Y96.6Very high93.6Very high1 Ų138.4 Ų38.40%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-107.3126.1163.4-63.7-104.4000108Y66 Y68 V225 A227 G231 I351 F355Y66-Y254 AromaticContact CD2-CD1 3.75Å; Y66-Y254 HydrophobicContact CD2-CD1 3.75Å; Y66-Y254 HydrophobicContact CD2-CD2 4.13Å; Y66-Y254 AromaticContact CD2-CE1 3.41Å; Y66-Y254 HydrophobicContact CD2-CE1 3.41Å; Y66-Y254 VanDerWaalsContact CD2-CE1 3.41Å; Y66-Y254 AromaticContact CD2-CE2 3.81Å; Y66-Y254 HydrophobicContact CD2-CE2 3.81Å; Y66-Y254 HydrophobicContact CD2-CG 4.06Å; Y66-Y254 AromaticContact CD2-CZ 3.43Å; Y66-Y254 VanDerWaalsContact CD2-CZ 3.43Å; Y66-Y254 AromaticContact CE2-CE1 3.98Å; Y66-Y254 HydrophobicContact CE2-CE1 3.98Å; Y66-Y254 AromaticContact CE2-CE2 4Å; Y66-Y254 HydrophobicContact CE2-CE2 4Å; Y66-Y254 AromaticContact CE2-CZ 3.58Å; Y66-Y254 WeakPolarHBondContact CE2-OH 3.43Å; Y66-Y254 HydrophobicContact CG-CD1 4.18Å; Y66-Y254 AromaticContact CG-CE1 3.98Å; Y66-Y254 HydrophobicContact CG-CE1 3.98Å; Y66-Y254 WeakPolarHBondContact O-CA 3.21Å; Y68-Y254 AromaticContact CE2-CD1 3.65Å; Y68-Y254 HydrophobicContact CE2-CD1 3.65Å; Y68-Y254 HydrophobicContact CE2-CE1 4.41Å; V225-Y254 PolarHBondContact N-O 2.77Å; V225-Y254 PolarHBondContact O-N 2.98Å; A227-Y254 HydrophobicContact CB-CD2 3.85Å; A227-Y254 HydrophobicContact CB-CE2 3.61Å; G231-Y254 WeakPolarHBondContact O-CE2 3.49Å; G231-Y254 PolarHBondContact O-OH 2.91Å; Y254-I351 WeakPolarHBondContact OH-CG2 3.36Å; Y254-F355 AromaticContact CD1-CD1 3.66Å; Y254-F355 HydrophobicContact CD1-CD1 3.66Å; Y254-F355 AromaticContact CD1-CD2 3.74Å; Y254-F355 HydrophobicContact CD1-CD2 3.74Å; Y254-F355 AromaticContact CD1-CE1 3.51Å; Y254-F355 HydrophobicContact CD1-CE1 3.51Å; Y254-F355 AromaticContact CD1-CE2 3.61Å; Y254-F355 HydrophobicContact CD1-CE2 3.61Å; Y254-F355 AromaticContact CD1-CG 3.78Å; Y254-F355 HydrophobicContact CD1-CG 3.78Å; Y254-F355 AromaticContact CD1-CZ 3.49Å; Y254-F355 HydrophobicContact CD1-CZ 3.49Å; Y254-F355 VanDerWaalsContact CD1-CZ 3.49Å; Y254-F355 HydrophobicContact CD2-CE2 4.15Å; Y254-F355 HydrophobicContact CD2-CZ 4.49Å; Y254-F355 HydrophobicContact CE1-CB 4.44Å; Y254-F355 HydrophobicContact CE1-CD1 4.15Å; Y254-F355 HydrophobicContact CE1-CD2 4.01Å; Y254-F355 HydrophobicContact CE1-CE1 4.43Å; Y254-F355 HydrophobicContact CE1-CE2 4.31Å; Y254-F355 AromaticContact CE1-CG 3.94Å; Y254-F355 HydrophobicContact CE1-CG 3.94Å; Y254-F355 HydrophobicContact CG-CD2 4.09Å; Y254-F355 HydrophobicContact CG-CE1 4.01Å; Y254-F355 AromaticContact CG-CE2 3.55Å; Y254-F355 HydrophobicContact CG-CE2 3.55Å; Y254-F355 AromaticContact CG-CZ 3.51Å; Y254-F355 HydrophobicContact CG-CZ 3.51Å
255I96.7Very high94.1Very high0 Ų036.7 Ų36.70%018%0.175CC..EExtended strand (participates in β ladder)trans-126.3113.4-175.4-60.2179.2000107.3I65 Y66 V67 Y68 I95 M98 L99 V222 T223 L253I65-I255 HydrophobicContact CG2-CD1 3.76Å; I65-I255 HydrophobicContact CG2-CG1 4.34Å; Y66-I255 PolarHBondContact O-N 2.9Å; V67-I255 CarbonylContact C-O 3.51Å; V67-I255 VanDerWaalsContact CA-O 3.25Å; V67-I255 WeakPolarHBondContact CA-O 3.41Å; V67-I255 HydrophobicContact CG2-CB 4.32Å; Y68-I255 PolarHBondContact N-O 3.46Å; I95-I255 HydrophobicContact CG2-CD1 3.78Å; M98-I255 HydrophobicContact CE-CD1 3.75Å; L99-I255 HydrophobicContact CD1-CD1 4.3Å; L99-I255 HydrophobicContact CD1-CG2 4Å; L99-I255 HydrophobicContact CD2-CD1 3.88Å; L99-I255 HydrophobicContact CD2-CG2 4.36Å; L99-I255 HydrophobicContact CG-CD1 4.26Å; V222-I255 HydrophobicContact CG1-CG2 3.66Å; T223-I255 WeakPolarHBondContact O-CA 3.26Å; L253-I255 HydrophobicContact CB-CG1 4.36Å
256Y97.8Very high94.3Very high6 Ų634.4 Ų34.42%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-91.1127.1165.7-176.9-94.6000109V222 T223 K258 F359 M363 S364V222-Y256 CarbonylContact C-O 3.55Å; V222-Y256 VanDerWaalsContact CA-O 3.28Å; V222-Y256 WeakPolarHBondContact CA-O 3.3Å; T223-Y256 PolarHBondContact N-O 3.42Å; T223-Y256 PolarHBondContact O-N 3Å; Y256-K258 HydrophobicContact CE1-CB 4.09Å; Y256-F359 HydrophobicContact CD2-CD2 4.44Å; Y256-F359 AromaticContact CD2-CE2 3.64Å; Y256-F359 HydrophobicContact CD2-CE2 3.64Å; Y256-F359 AromaticContact CD2-CZ 3.94Å; Y256-F359 HydrophobicContact CD2-CZ 3.94Å; Y256-F359 HydrophobicContact CE2-CD2 4.29Å; Y256-F359 AromaticContact CE2-CE2 3.79Å; Y256-F359 HydrophobicContact CE2-CE2 3.79Å; Y256-M363 HydrophobicContact CD1-CE 3.68Å; Y256-M363 HydrophobicContact CD2-CE 3.29Å; Y256-M363 HydrophobicContact CE1-CE 3.96Å; Y256-M363 HydrophobicContact CE1-CG 4.14Å; Y256-M363 HydrophobicContact CE2-CB 3.8Å; Y256-M363 HydrophobicContact CE2-CE 3.62Å; Y256-M363 HydrophobicContact CE2-CG 4.13Å; Y256-M363 HydrophobicContact CG-CE 3.33Å; Y256-M363 VanDerWaalsContact OH-CA 3.25Å; Y256-M363 WeakPolarHBondContact OH-CA 3.5Å; Y256-S364 PolarHBondContact OH-N 3.32Å
257L97.4Very high94.3Very high0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-123.3122.6-179-175.4154.9000109.5V67 Y68 G69 D70 F73 Y220 V222 R259V67-L257 HydrophobicContact CG1-CB 4.38Å; Y68-L257 PolarHBondContact O-N 2.89Å; G69-L257 WeakPolarHBondContact CA-O 3.42Å; D70-L257 HydrophobicContact CB-CD2 4.14Å; D70-L257 PolarHBondContact N-O 3.34Å; F73-L257 HydrophobicContact CB-CD1 4.33Å; F73-L257 HydrophobicContact CB-CD2 4.09Å; F73-L257 HydrophobicContact CD1-CD1 3.94Å; F73-L257 HydrophobicContact CD2-CD1 3.97Å; F73-L257 HydrophobicContact CE1-CD1 4.29Å; F73-L257 HydrophobicContact CE2-CD1 4.3Å; F73-L257 HydrophobicContact CG-CD1 3.78Å; F73-L257 HydrophobicContact CG-CD2 4.35Å; F73-L257 HydrophobicContact CZ-CD1 4.45Å; Y220-L257 HydrophobicContact CD2-CD1 3.75Å; Y220-L257 HydrophobicContact CD2-CD2 4.05Å; Y220-L257 HydrophobicContact CD2-CG 4.1Å; Y220-L257 HydrophobicContact CE2-CD1 4Å; Y220-L257 HydrophobicContact CE2-CD2 4.12Å; V222-L257 HydrophobicContact CG2-CB 4.34Å; V222-L257 HydrophobicContact CG2-CD1 4.22Å; V222-L257 HydrophobicContact CG2-CG 4.03Å; L257-R259 HydrophobicContact CD2-CB 4.32Å
258K97.8Very high94.6Very high58 Ų5840.5 Ų40.525%0.25220%0.2SC..EExtended strand (participates in β ladder)trans-111.9116168.1-171.775.9-156.2146.10109.7D70 D221 Y256 I260D70-K258 VanDerWaalsContact CG-NZ 3.34Å; D70-K258 IonicContact OD1-NZ 3.77Å; D70-K258 PolarHBondContact OD1-NZ 2.78Å; D70-K258 WeakPolarHBondContact OD2-CA 3.3Å; D70-K258 VanDerWaalsContact OD2-CD 3.26Å; D70-K258 WeakPolarHBondContact OD2-CD 3.45Å; D70-K258 VanDerWaalsContact OD2-CE 3.28Å; D70-K258 WeakPolarHBondContact OD2-CE 3.49Å; D70-K258 IonicContact OD2-NZ 2.78Å; D70-K258 PolarHBondContact OD2-NZ 3.01Å; D221-K258 HydrophobicContact CB-CB 4.38Å; D221-K258 PolarHBondContact N-O 3.07Å; D221-K258 PolarHBondContact O-N 3.45Å; Y256-K258 HydrophobicContact CE1-CB 4.09Å; K258-I260 HydrophobicContact CG-CD1 4.12Å; K258-I260 HydrophobicContact CG-CG1 3.81Å
259R97.4Very high94.8Very high41 Ų4139.4 Ų39.416%0.15520%0.196CC..EExtended strand (participates in β ladder)trans-88.1123.1170.5178.5179-177.7-64.9-3.6108.9D70 E79 A218 Y220 L257D70-R259 HydrophobicContact CB-CB 4.13Å; D70-R259 PolarHBondContact OD2-N 3.36Å; E79-R259 IonicContact OE1-CZ 3.71Å; E79-R259 IonicContact OE1-NE 2.66Å; E79-R259 PolarHBondContact OE1-NE 3.18Å; E79-R259 IonicContact OE1-NH2 3.52Å; E79-R259 PolarHBondContact OE1-NH2 3.09Å; E79-R259 IonicContact OE2-NE 3.43Å; A218-R259 HydrophobicContact CB-CG 3.91Å; Y220-R259 HydrophobicContact CD1-CB 4.27Å; Y220-R259 HydrophobicContact CD1-CG 4Å; Y220-R259 HydrophobicContact CE1-CB 4.01Å; Y220-R259 HydrophobicContact CE1-CG 3.49Å; Y220-R259 VanDerWaalsContact CE1-CG 3.49Å; L257-R259 HydrophobicContact CD2-CB 4.32Å
260I97.7Very high95.1Very high12 Ų1241.1 Ų41.16%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-121.1116.7-179.6-54.8171.3000107.5A218 L219 K258 I262 Q264 I265 W275A218-I260 CarbonylContact C-O 3.51Å; A218-I260 VanDerWaalsContact CA-O 3.26Å; A218-I260 WeakPolarHBondContact CA-O 3.49Å; A218-I260 WeakPolarHBondContact CB-O 3.24Å; L219-I260 HydrophobicContact CD2-CD1 4.48Å; L219-I260 PolarHBondContact N-O 3.37Å; L219-I260 PolarHBondContact O-N 2.96Å; K258-I260 HydrophobicContact CG-CD1 4.12Å; K258-I260 HydrophobicContact CG-CG1 3.81Å; I260-I262 PolarHBondContact O-N 3.28Å; I260-Q264 HydrophobicContact CG2-CB 3.95Å; I260-I265 HydrophobicContact CB-CD1 3.99Å; I260-I265 HydrophobicContact CG2-CD1 3.45Å; I260-I265 VanDerWaalsContact CG2-CD1 3.45Å; I260-I265 HydrophobicContact CG2-CG1 4.3Å; I260-W275 HydrophobicContact CD1-CZ2 3.71Å
261P97.8Very high95.3Very high35 Ų3541.1 Ų41.123%0.22721%0.214CC..EExtended strand (participates in β ladder)trans-51.3137.8174.6-25.533.9000110.9Q263 Q264P261-Q263 PolarHBondContact O-N 3.41Å; P261-Q263 VanDerWaalsContact O-N 3.09Å; P261-Q264 HydrophobicContact CB-CG 4.34Å; P261-Q264 WeakPolarHBondContact O-CB 3.44Å; P261-Q264 PolarHBondContact O-N 3.35Å
262I97.3Very high95.5Very high0 Ų039.9 Ų39.90%021%0.209CC..G310 helixtrans-59.2-32.5-171.1-162.669.8000112L209 H213 L216 D217 I260 Q264 I265L209-I262 HydrophobicContact CD2-CD1 3.7Å; H213-I262 PolarHBondContact NE2-O 3.5Å; L216-I262 HydrophobicContact CB-CB 4.27Å; L216-I262 HydrophobicContact CB-CD1 3.91Å; L216-I262 HydrophobicContact CB-CG1 3.87Å; L216-I262 HydrophobicContact CD1-CD1 3.86Å; L216-I262 HydrophobicContact CD1-CG1 4.47Å; L216-I262 WeakPolarHBondContact O-CG2 3.23Å; D217-I262 PolarHBondContact O-N 2.65Å; D217-I262 VanDerWaalsContact O-N 3.1Å; I260-I262 PolarHBondContact O-N 3.28Å; I262-Q264 PolarHBondContact O-N 3.33Å; I262-Q264 VanDerWaalsContact O-N 3.12Å; I262-I265 HydrophobicContact CD1-CG1 4.23Å; I262-I265 VanDerWaalsContact O-CB 3.29Å; I262-I265 WeakPolarHBondContact O-CB 3.16Å; I262-I265 WeakPolarHBondContact O-CG1 3.37Å; I262-I265 PolarHBondContact O-N 3.09Å
263Q96.7Very high95.5Very high142 Ų14240.8 Ų40.866%0.66422%0.215SC*.G310 helixtrans-65.2-17.2-179.1-60.377.215.800113.1P261P261-Q263 PolarHBondContact O-N 3.41Å; P261-Q263 VanDerWaalsContact O-N 3.09Å
264Q96.9Very high95.6Very high133 Ų13347.1 Ų47.162%0.62124%0.242SC*.G310 helixtrans-88.5-5.9175-61.4-179.66.800112.5I260 P261 I262I260-Q264 HydrophobicContact CG2-CB 3.95Å; P261-Q264 HydrophobicContact CB-CG 4.34Å; P261-Q264 WeakPolarHBondContact O-CB 3.44Å; P261-Q264 PolarHBondContact O-N 3.35Å; I262-Q264 PolarHBondContact O-N 3.33Å; I262-Q264 VanDerWaalsContact O-N 3.12Å
265I96.7Very high95.6Very high5 Ų549.2 Ų49.23%0.02625%0.25CS..SBendtrans-89.5123.9179.3-52.1-61.4000108.7L209 L219 I260 I262 I272 W275L209-I265 HydrophobicContact CD1-CG2 3.74Å; L209-I265 HydrophobicContact CD2-CG2 4.35Å; L219-I265 HydrophobicContact CB-CD1 4.1Å; L219-I265 HydrophobicContact CB-CG1 4.14Å; L219-I265 HydrophobicContact CD1-CD1 4.3Å; I260-I265 HydrophobicContact CB-CD1 3.99Å; I260-I265 HydrophobicContact CG2-CD1 3.45Å; I260-I265 VanDerWaalsContact CG2-CD1 3.45Å; I260-I265 HydrophobicContact CG2-CG1 4.3Å; I262-I265 HydrophobicContact CD1-CG1 4.23Å; I262-I265 VanDerWaalsContact O-CB 3.29Å; I262-I265 WeakPolarHBondContact O-CB 3.16Å; I262-I265 WeakPolarHBondContact O-CG1 3.37Å; I262-I265 PolarHBondContact O-N 3.09Å; I265-I272 HydrophobicContact CG2-CD1 3.72Å; I265-W275 HydrophobicContact CD1-CH2 3.79Å; I265-W275 HydrophobicContact CD1-CZ2 3.28Å
266P94.4Very high95.7Very high32 Ų3249.2 Ų49.221%0.20825%0.25CS..  trans-67.9140.3178.126.1-33.3000111.9I272 W275P266-I272 HydrophobicContact CG-CD1 4.36Å; P266-I272 WeakPolarHBondContact O-CD1 3.32Å; P266-W275 HydrophobicContact CG-CB 3.75Å; P266-W275 HydrophobicContact CG-CG 4.02Å
267C86.7Confident95.7Very high52 Ų5250.4 Ų50.435%0.35126%0.255SS..  trans-96.1-24.1179-65.10000113.7H213H213-C267 PolarHBondContact CD2-SG 3.39Å
268D92.3Very high95.7Very high81 Ų8154.5 Ų54.543%0.43327%0.274SS..SBendtrans-72.1147.8-178.978.3-95.1000111.6Q270 S271 I272D268-Q270 VanDerWaalsContact C-N 3.27Å; D268-Q270 PolarHBondContact O-N 3.15Å; D268-Q270 PolarHBondContact OD2-N 3.24Å; D268-Q270 VanDerWaalsContact OD2-N 3.13Å; D268-S271 VanDerWaalsContact CG-CB 3.49Å; D268-S271 PolarHBondContact O-N 3.26Å; D268-S271 WeakPolarHBondContact OD1-CB 3.46Å; D268-S271 PolarHBondContact OD1-OG 3.4Å; D268-S271 WeakPolarHBondContact OD2-CB 3.5Å; D268-S271 PolarHBondContact OD2-N 3.48Å; D268-S271 PolarHBondContact OD2-OG 3.35Å; D268-I272 WeakPolarHBondContact O-CB 3.48Å; D268-I272 VanDerWaalsContact O-CG2 3.25Å; D268-I272 WeakPolarHBondContact O-CG2 3.38Å; D268-I272 PolarHBondContact O-N 2.66Å
269S90.8Very high95.7Very high57 Ų5753.2 Ų53.240%0.39927%0.268SS..Hα-helixtrans-57-37.1-172-58.10000114Q206 I272 T273Q206-S269 VanDerWaalsContact NE2-CA 3.32Å; Q206-S269 PolarHBondContact NE2-OG 2.83Å; S269-I272 WeakPolarHBondContact O-CG2 3.44Å; S269-T273 WeakPolarHBondContact O-CB 3.26Å; S269-T273 PolarHBondContact O-N 3.4Å; S269-T273 PolarHBondContact O-OG1 3.3Å
270Q93.4Very high95.8Very high132 Ų13251.3 Ų51.362%0.61726%0.26SS*.Hα-helixtrans-81.8-44.6-173.3-170.3177.37.200110.4D268 T273 K274D268-Q270 VanDerWaalsContact C-N 3.27Å; D268-Q270 PolarHBondContact O-N 3.15Å; D268-Q270 PolarHBondContact OD2-N 3.24Å; D268-Q270 VanDerWaalsContact OD2-N 3.13Å; Q270-T273 WeakPolarHBondContact O-CB 3.41Å; Q270-T273 PolarHBondContact O-N 3.19Å; Q270-K274 PolarHBondContact O-N 2.78Å
271S95Very high95.8Very high48 Ų4853.5 Ų53.534%0.33627%0.268SS..Hα-helixtrans-67.6-40.8178.6-54.80000111.8D268 T273 K274 W275D268-S271 VanDerWaalsContact CG-CB 3.49Å; D268-S271 PolarHBondContact O-N 3.26Å; D268-S271 WeakPolarHBondContact OD1-CB 3.46Å; D268-S271 PolarHBondContact OD1-OG 3.4Å; D268-S271 WeakPolarHBondContact OD2-CB 3.5Å; D268-S271 PolarHBondContact OD2-N 3.48Å; D268-S271 PolarHBondContact OD2-OG 3.35Å; S271-T273 PolarHBondContact O-N 2.68Å; S271-K274 PolarHBondContact O-N 3.42Å; S271-W275 WeakPolarHBondContact O-CB 3.44Å; S271-W275 PolarHBondContact O-N 3.16Å
272I95.7Very high95.8Very high1 Ų152.2 Ų52.21%0.00526%0.259CS..Hα-helixtrans-62.2-35.3175.1-167.859000111.8I205 L209 I265 P266 D268 S269 W275 L276I205-I272 HydrophobicContact CG2-CD1 4.31Å; I205-I272 HydrophobicContact CG2-CG1 4.33Å; L209-I272 HydrophobicContact CD1-CD1 3.58Å; L209-I272 HydrophobicContact CD1-CG1 4.05Å; I265-I272 HydrophobicContact CG2-CD1 3.72Å; P266-I272 HydrophobicContact CG-CD1 4.36Å; P266-I272 WeakPolarHBondContact O-CD1 3.32Å; D268-I272 WeakPolarHBondContact O-CB 3.48Å; D268-I272 VanDerWaalsContact O-CG2 3.25Å; D268-I272 WeakPolarHBondContact O-CG2 3.38Å; D268-I272 PolarHBondContact O-N 2.66Å; S269-I272 WeakPolarHBondContact O-CG2 3.44Å; I272-W275 HydrophobicContact CD1-CD2 4.5Å; I272-W275 HydrophobicContact CD1-CE3 3.77Å; I272-W275 HydrophobicContact CD1-CZ3 4.27Å; I272-L276 WeakPolarHBondContact O-CB 3.38Å; I272-L276 PolarHBondContact O-N 3.1Å
273T96.3Very high95.9Very high21 Ų2152.2 Ų52.213%0.12926%0.259CS..Hα-helixtrans-66-51177.3-58.90000110.9R202 S269 Q270 S271 W275 L276 Y277R202-T273 WeakPolarHBondContact CD-OG1 3.46Å; S269-T273 WeakPolarHBondContact O-CB 3.26Å; S269-T273 PolarHBondContact O-N 3.4Å; S269-T273 PolarHBondContact O-OG1 3.3Å; Q270-T273 WeakPolarHBondContact O-CB 3.41Å; Q270-T273 PolarHBondContact O-N 3.19Å; S271-T273 PolarHBondContact O-N 2.68Å; T273-W275 PolarHBondContact O-N 3.28Å; T273-L276 PolarHBondContact O-N 2.88Å; T273-Y277 HydrophobicContact CG2-CD2 4.08Å; T273-Y277 HydrophobicContact CG2-CE1 4.13Å; T273-Y277 HydrophobicContact CG2-CE2 3.4Å; T273-Y277 VanDerWaalsContact CG2-CE2 3.4Å; T273-Y277 VanDerWaalsContact CG2-CZ 3.43Å; T273-Y277 VanDerWaalsContact O-CG 3.28Å; T273-Y277 PolarHBondContact O-N 3.17Å
274K96.6Very high96Very high133 Ų13345.6 Ų45.658%0.57823%0.228SC*.Hα-helixtrans-60.7-46.2177.7-71.2179.8179.2179.60111.5Q270 S271 L276 Y277 E278Q270-K274 PolarHBondContact O-N 2.78Å; S271-K274 PolarHBondContact O-N 3.42Å; K274-L276 VanDerWaalsContact C-N 3.34Å; K274-L276 PolarHBondContact O-N 2.79Å; K274-Y277 PolarHBondContact O-N 3.33Å; K274-E278 PolarHBondContact O-N 2.92Å
275W97.3Very high96.1Very high44 Ų4440.9 Ų40.917%0.16721%0.207CC..Hα-helixtrans-58.3-46177.3177.191.3000111.4I84 L219 I260 I265 P266 S271 I272 T273 Y277 E278 R279I84-W275 HydrophobicContact CD1-CH2 4.21Å; I84-W275 HydrophobicContact CD1-CZ3 4.38Å; L219-W275 HydrophobicContact CD1-CH2 3.67Å; L219-W275 HydrophobicContact CD1-CZ3 4.12Å; L219-W275 HydrophobicContact CD2-CH2 3.69Å; L219-W275 HydrophobicContact CD2-CZ2 4.31Å; L219-W275 HydrophobicContact CG-CH2 4.33Å; I260-W275 HydrophobicContact CD1-CZ2 3.71Å; I265-W275 HydrophobicContact CD1-CH2 3.79Å; I265-W275 HydrophobicContact CD1-CZ2 3.28Å; P266-W275 HydrophobicContact CG-CB 3.75Å; P266-W275 HydrophobicContact CG-CG 4.02Å; S271-W275 WeakPolarHBondContact O-CB 3.44Å; S271-W275 PolarHBondContact O-N 3.16Å; I272-W275 HydrophobicContact CD1-CD2 4.5Å; I272-W275 HydrophobicContact CD1-CE3 3.77Å; I272-W275 HydrophobicContact CD1-CZ3 4.27Å; T273-W275 PolarHBondContact O-N 3.28Å; W275-Y277 PolarHBondContact O-N 3.17Å; W275-E278 WeakPolarHBondContact O-CB 3.47Å; W275-E278 PolarHBondContact O-N 3.11Å; W275-R279 HydrophobicContact CD2-CG 3.99Å; W275-R279 HydrophobicContact CE3-CG 4.06Å; W275-R279 HydrophobicContact CH2-CG 3.63Å; W275-R279 HydrophobicContact CZ2-CG 3.56Å; W275-R279 HydrophobicContact CZ3-CG 3.9Å; W275-R279 WeakPolarHBondContact O-CG 3.21Å; W275-R279 PolarHBondContact O-N 3.08Å
276L97.6Very high96.1Very high1 Ų140.7 Ų40.71%0.00521%0.206CC..Hα-helixtrans-66.1-38.9-179.6-17660.7000112.2I84 P165 P200 I205 I272 T273 K274 E278 R279 Y280I84-L276 HydrophobicContact CD1-CD1 4.27Å; P165-L276 HydrophobicContact CB-CD1 4.46Å; P165-L276 HydrophobicContact CB-CD2 4.46Å; P165-L276 HydrophobicContact CG-CD1 4.46Å; P200-L276 HydrophobicContact CB-CD1 4.17Å; P200-L276 HydrophobicContact CB-CD2 3.8Å; P200-L276 HydrophobicContact CB-CG 3.77Å; P200-L276 HydrophobicContact CG-CD1 4.27Å; P200-L276 HydrophobicContact CG-CD2 4.02Å; P200-L276 HydrophobicContact CG-CG 3.59Å; I205-L276 HydrophobicContact CD1-CD1 3.51Å; I205-L276 HydrophobicContact CD1-CD2 3.59Å; I205-L276 HydrophobicContact CD1-CG 4.18Å; I272-L276 WeakPolarHBondContact O-CB 3.38Å; I272-L276 PolarHBondContact O-N 3.1Å; T273-L276 PolarHBondContact O-N 2.88Å; K274-L276 VanDerWaalsContact C-N 3.34Å; K274-L276 PolarHBondContact O-N 2.79Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-R279 PolarHBondContact O-N 3.4Å; L276-Y280 HydrophobicContact CD1-CD2 4.04Å; L276-Y280 HydrophobicContact CD1-CE2 3.91Å; L276-Y280 WeakPolarHBondContact O-CD2 3.44Å; L276-Y280 PolarHBondContact O-N 3.24Å; L276-Y280 VanDerWaalsContact O-N 3.12Å
277Y98.1Very high96.3Very high30 Ų3039.5 Ų39.512%0.11820%0.198CC..Hα-helixtrans-63.4-40.7172.9-64.1-18.8000111.8A189 I191 V199 P200 T273 K274 W275 Y280 R281A189-Y277 HydrophobicContact CB-CD2 4.31Å; A189-Y277 HydrophobicContact CB-CE2 3.48Å; A189-Y277 VanDerWaalsContact CB-CE2 3.48Å; I191-Y277 HydrophobicContact CD1-CD1 4.19Å; I191-Y277 HydrophobicContact CD1-CD2 4.02Å; I191-Y277 HydrophobicContact CD1-CE2 4.49Å; I191-Y277 HydrophobicContact CD1-CG 3.86Å; I191-Y277 HydrophobicContact CG2-CD2 3.92Å; V199-Y277 HydrophobicContact CG1-CD1 4.12Å; V199-Y277 HydrophobicContact CG1-CE1 3.62Å; P200-Y277 HydrophobicContact CG-CD1 3.98Å; P200-Y277 HydrophobicContact CG-CE1 4.38Å; T273-Y277 HydrophobicContact CG2-CD2 4.08Å; T273-Y277 HydrophobicContact CG2-CE1 4.13Å; T273-Y277 HydrophobicContact CG2-CE2 3.4Å; T273-Y277 VanDerWaalsContact CG2-CE2 3.4Å; T273-Y277 VanDerWaalsContact CG2-CZ 3.43Å; T273-Y277 VanDerWaalsContact O-CG 3.28Å; T273-Y277 PolarHBondContact O-N 3.17Å; K274-Y277 PolarHBondContact O-N 3.33Å; W275-Y277 PolarHBondContact O-N 3.17Å; Y277-Y280 PolarHBondContact O-N 3.39Å; Y277-R281 PolarHBondContact O-N 3.08Å
278E97.7Very high96.9Very high86 Ų8638.3 Ų38.340%0.40219%0.188SC..Hα-helixtrans-63.6-42.4176.5-175.752.5-142.700111.8K274 W275 L276 Y280 R281 I282K274-E278 PolarHBondContact O-N 2.92Å; W275-E278 WeakPolarHBondContact O-CB 3.47Å; W275-E278 PolarHBondContact O-N 3.11Å; L276-E278 VanDerWaalsContact C-N 3.34Å; E278-Y280 VanDerWaalsContact C-N 3.29Å; E278-Y280 PolarHBondContact O-N 3.36Å; E278-R281 PolarHBondContact O-N 3.41Å; E278-R281 IonicContact OE1-CZ 3.73Å; E278-R281 IonicContact OE1-NE 2.85Å; E278-R281 PolarHBondContact OE1-NE 3.42Å; E278-R281 IonicContact OE1-NH2 3.35Å; E278-R281 PolarHBondContact OE1-NH2 3.15Å; E278-R281 IonicContact OE2-NE 3.91Å; E278-I282 WeakPolarHBondContact O-CG1 3.25Å; E278-I282 PolarHBondContact O-N 3.47Å; E278-I282 VanDerWaalsContact O-N 3.13Å
279R98.1Very high97.1Very high32 Ų3237.6 Ų37.612%0.12118%0.184CC..Hα-helixtrans-57.4-44173.9-63.2-42.9-59.9169.12.7111.7D221 W275 L276 I282 K283D221-R279 IonicContact OD2-CZ 2.82Å; D221-R279 IonicContact OD2-NE 2.93Å; D221-R279 PolarHBondContact OD2-NE 3.25Å; D221-R279 IonicContact OD2-NH2 3.94Å; D221-R279 PolarHBondContact OD2-NH2 3.5Å; W275-R279 HydrophobicContact CD2-CG 3.99Å; W275-R279 HydrophobicContact CE3-CG 4.06Å; W275-R279 HydrophobicContact CH2-CG 3.63Å; W275-R279 HydrophobicContact CZ2-CG 3.56Å; W275-R279 HydrophobicContact CZ3-CG 3.9Å; W275-R279 WeakPolarHBondContact O-CG 3.21Å; W275-R279 PolarHBondContact O-N 3.08Å; L276-R279 PolarHBondContact O-N 3.4Å; R279-I282 PolarHBondContact O-N 3.15Å; R279-K283 WeakPolarHBondContact O-CG 3.48Å; R279-K283 PolarHBondContact O-N 2.84Å
280Y98.5Very high97.5Very high0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-75.6-29.3-179.3-88.9-104000113.8S85 P165 E166 V197 P200 L276 Y277 E278 I282 K283 D284S85-Y280 PolarHBondContact O-OH 3.2Å; P165-Y280 HydrophobicContact CB-CE2 4.29Å; P165-Y280 WeakPolarHBondContact CD-OH 3.2Å; P165-Y280 HydrophobicContact CG-CE2 4.35Å; E166-Y280 HydrophobicContact CG-CD1 4.35Å; E166-Y280 HydrophobicContact CG-CE1 3.46Å; E166-Y280 VanDerWaalsContact CG-CE1 3.46Å; V197-Y280 HydrophobicContact CB-CD1 4.08Å; V197-Y280 HydrophobicContact CG2-CD1 3.9Å; P200-Y280 HydrophobicContact CB-CD1 4.31Å; P200-Y280 HydrophobicContact CB-CD2 3.77Å; P200-Y280 HydrophobicContact CB-CE1 4.27Å; P200-Y280 HydrophobicContact CB-CE2 3.67Å; P200-Y280 HydrophobicContact CB-CG 4.07Å; P200-Y280 HydrophobicContact CG-CD1 4.17Å; P200-Y280 HydrophobicContact CG-CD2 3.5Å; P200-Y280 HydrophobicContact CG-CE2 3.97Å; P200-Y280 HydrophobicContact CG-CG 3.6Å; L276-Y280 HydrophobicContact CD1-CD2 4.04Å; L276-Y280 HydrophobicContact CD1-CE2 3.91Å; L276-Y280 WeakPolarHBondContact O-CD2 3.44Å; L276-Y280 PolarHBondContact O-N 3.24Å; L276-Y280 VanDerWaalsContact O-N 3.12Å; Y277-Y280 PolarHBondContact O-N 3.39Å; E278-Y280 VanDerWaalsContact C-N 3.29Å; E278-Y280 PolarHBondContact O-N 3.36Å; Y280-I282 VanDerWaalsContact C-N 3.35Å; Y280-K283 HydrophobicContact CE1-CD 4.5Å; Y280-K283 PolarHBondContact O-N 2.8Å; Y280-D284 WeakPolarHBondContact O-CB 3.25Å; Y280-D284 PolarHBondContact O-N 2.52Å
281R98.4Very high97.6Very high58 Ų5830.3 Ų30.322%0.21914%0.144CC..Hα-helixtrans-59.6-45.9169.1-177.4-139.154106.6-13.5111F194 Y277 E278 K283 D284 D285 E362F194-R281 HydrophobicContact CE1-CB 3.88Å; F194-R281 HydrophobicContact CE1-CG 4.42Å; F194-R281 HydrophobicContact CZ-CB 4.27Å; Y277-R281 PolarHBondContact O-N 3.08Å; E278-R281 PolarHBondContact O-N 3.41Å; E278-R281 IonicContact OE1-CZ 3.73Å; E278-R281 IonicContact OE1-NE 2.85Å; E278-R281 PolarHBondContact OE1-NE 3.42Å; E278-R281 IonicContact OE1-NH2 3.35Å; E278-R281 PolarHBondContact OE1-NH2 3.15Å; E278-R281 IonicContact OE2-NE 3.91Å; R281-K283 VanDerWaalsContact C-N 3.27Å; R281-K283 PolarHBondContact O-N 2.99Å; R281-D284 PolarHBondContact O-N 3.46Å; R281-D284 VanDerWaalsContact O-N 3.13Å; R281-D285 IonicContact CZ-OD2 2.71Å; R281-D285 IonicContact NE-OD2 2.85Å; R281-D285 IonicContact NH1-OD2 3.58Å; R281-D285 PolarHBondContact NH1-OD2 3.1Å; R281-D285 PolarHBondContact O-N 2.8Å; R281-E362 IonicContact CZ-OE1 3.6Å; R281-E362 IonicContact NH1-OE1 3.72Å; R281-E362 IonicContact NH2-OE1 2.68Å; R281-E362 PolarHBondContact NH2-OE1 3.38Å; R281-E362 IonicContact NH2-OE2 3.21Å
282I98.4Very high97.6Very high8 Ų832.3 Ų32.34%0.04116%0.155CC..Hα-helixtrans-56.4-43.1175.9-65.6163.7000110.9E278 R279 Y280 F286 E362 M363E278-I282 WeakPolarHBondContact O-CG1 3.25Å; E278-I282 PolarHBondContact O-N 3.47Å; E278-I282 VanDerWaalsContact O-N 3.13Å; R279-I282 PolarHBondContact O-N 3.15Å; Y280-I282 VanDerWaalsContact C-N 3.35Å; I282-F286 WeakPolarHBondContact O-CB 2.89Å; I282-F286 PolarHBondContact O-N 2.74Å; I282-E362 HydrophobicContact CD1-CB 4.05Å; I282-E362 HydrophobicContact CD1-CG 4.29Å; I282-E362 HydrophobicContact CG1-CB 4.47Å; I282-M363 HydrophobicContact CG2-CG 3.97Å; I282-M363 HydrophobicContact CG2-SD 4.16Å
283K98.5Very high97.6Very high1 Ų136.8 Ų36.80%0.00417%0.172CC..Hα-helixtrans-64.3-44.8176.8-51.5-168.5-175.4-167.70111.9N86 V197 D221 V222 T223 R279 Y280 R281 F286 I287N86-K283 HydrophobicContact CB-CD 4.34Å; V197-K283 HydrophobicContact CG1-CB 4.19Å; D221-K283 WeakPolarHBondContact OD1-CE 3.25Å; D221-K283 IonicContact OD1-NZ 2.65Å; D221-K283 PolarHBondContact OD1-NZ 2.89Å; V222-K283 PolarHBondContact O-NZ 2.85Å; T223-K283 HydrophobicContact CG2-CB 4.27Å; T223-K283 HydrophobicContact CG2-CD 4.45Å; T223-K283 HydrophobicContact CG2-CG 4.39Å; T223-K283 WeakPolarHBondContact OG1-CD 3.46Å; T223-K283 VanDerWaalsContact OG1-CG 3.3Å; T223-K283 WeakPolarHBondContact OG1-CG 3.45Å; R279-K283 WeakPolarHBondContact O-CG 3.48Å; R279-K283 PolarHBondContact O-N 2.84Å; Y280-K283 HydrophobicContact CE1-CD 4.5Å; Y280-K283 PolarHBondContact O-N 2.8Å; R281-K283 VanDerWaalsContact C-N 3.27Å; R281-K283 PolarHBondContact O-N 2.99Å; K283-F286 PolarHBondContact O-N 3.22Å; K283-I287 WeakPolarHBondContact O-CD1 3.49Å; K283-I287 VanDerWaalsContact O-CG1 3.22Å; K283-I287 WeakPolarHBondContact O-CG1 3.48Å; K283-I287 PolarHBondContact O-N 2.72Å
284D98.6Very high97.6Very high2 Ų235.9 Ų35.91%0.01117%0.166CC..Hα-helixtrans-61.9-51.3-178.9-162.362.4000111.1F194 K195 H196 V197 Y280 R281 F286 I287 D288F194-D284 WeakPolarHBondContact CA-OD2 3.35Å; F194-D284 HydrophobicContact CB-CB 4.35Å; F194-D284 HydrophobicContact CD1-CB 3.89Å; F194-D284 HydrophobicContact CG-CB 4.28Å; K195-D284 PolarHBondContact N-OD1 3.21Å; K195-D284 PolarHBondContact N-OD2 2.75Å; K195-D284 VanDerWaalsContact N-OD2 3.08Å; H196-D284 WeakPolarHBondContact CA-OD1 3.48Å; H196-D284 PolarHBondContact N-OD1 3.09Å; V197-D284 HydrophobicContact CG2-CB 3.85Å; V197-D284 PolarHBondContact N-OD1 3.26Å; Y280-D284 WeakPolarHBondContact O-CB 3.25Å; Y280-D284 PolarHBondContact O-N 2.52Å; R281-D284 PolarHBondContact O-N 3.46Å; R281-D284 VanDerWaalsContact O-N 3.13Å; D284-F286 VanDerWaalsContact C-N 3.33Å; D284-F286 PolarHBondContact O-N 3.15Å; D284-I287 PolarHBondContact O-N 2.84Å; D284-D288 WeakPolarHBondContact O-CB 3.39Å; D284-D288 PolarHBondContact O-N 3.03Å
285D98.5Very high97.6Very high34 Ų3430.4 Ų30.418%0.18214%0.141CC..Hα-helixtrans-63.9-39.7-179.7-70.4-21.9000111.1R281 D288 N289 T360R281-D285 IonicContact CZ-OD2 2.71Å; R281-D285 IonicContact NE-OD2 2.85Å; R281-D285 IonicContact NH1-OD2 3.58Å; R281-D285 PolarHBondContact NH1-OD2 3.1Å; R281-D285 PolarHBondContact O-N 2.8Å; D285-D288 PolarHBondContact O-N 3.3Å; D285-N289 WeakPolarHBondContact O-CB 3.28Å; D285-N289 PolarHBondContact O-N 2.83Å; D285-N289 PolarHBondContact O-ND2 3.24Å; D285-T360 HydrophobicContact CB-CG2 3.95Å
286F98.4Very high97.2Very high1 Ų132.9 Ų32.90%0.00415%0.154CC..Hα-helixtrans-60.4-46.4173.6170.9-129.7000112.2T223 V225 I282 K283 D284 N289 L290 F355 C358 F359 T360 M363T223-F286 HydrophobicContact CG2-CD1 4.07Å; T223-F286 HydrophobicContact CG2-CE1 4.3Å; V225-F286 HydrophobicContact CG2-CE1 4.06Å; I282-F286 WeakPolarHBondContact O-CB 2.89Å; I282-F286 PolarHBondContact O-N 2.74Å; K283-F286 PolarHBondContact O-N 3.22Å; D284-F286 VanDerWaalsContact C-N 3.33Å; D284-F286 PolarHBondContact O-N 3.15Å; F286-N289 PolarHBondContact O-N 3.37Å; F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CD2-CD1 4.3Å; F286-L290 HydrophobicContact CD2-CG 4.3Å; F286-L290 HydrophobicContact CE1-CD1 3.98Å; F286-L290 HydrophobicContact CE2-CD1 3.77Å; F286-L290 HydrophobicContact CE2-CD2 4.19Å; F286-L290 HydrophobicContact CE2-CG 3.91Å; F286-L290 HydrophobicContact CZ-CD1 3.61Å; F286-L290 HydrophobicContact CZ-CG 4.27Å; F286-L290 WeakPolarHBondContact O-CG 3.37Å; F286-L290 PolarHBondContact O-N 3.29Å; F286-F355 HydrophobicContact CE1-CZ 4.34Å; F286-F355 HydrophobicContact CE2-CE1 4.35Å; F286-F355 HydrophobicContact CE2-CZ 4.31Å; F286-F355 AromaticContact CZ-CE1 3.73Å; F286-F355 HydrophobicContact CZ-CE1 3.73Å; F286-F355 HydrophobicContact CZ-CE2 4.23Å; F286-F355 AromaticContact CZ-CZ 3.48Å; F286-F355 HydrophobicContact CZ-CZ 3.48Å; F286-F355 VanDerWaalsContact CZ-CZ 3.48Å; F286-C358 HydrophobicContact CD2-CB 4.43Å; F286-C358 HydrophobicContact CE2-CB 4.33Å; F286-F359 HydrophobicContact CD2-CD1 4.08Å; F286-F359 HydrophobicContact CD2-CE1 4.46Å; F286-F359 AromaticContact CE2-CD1 3.47Å; F286-F359 HydrophobicContact CE2-CD1 3.47Å; F286-F359 VanDerWaalsContact CE2-CD1 3.47Å; F286-F359 AromaticContact CE2-CE1 3.51Å; F286-F359 HydrophobicContact CE2-CE1 3.51Å; F286-F359 HydrophobicContact CZ-CD1 4.16Å; F286-F359 AromaticContact CZ-CE1 3.72Å; F286-F359 HydrophobicContact CZ-CE1 3.72Å; F286-T360 HydrophobicContact CB-CG2 4.38Å; F286-M363 HydrophobicContact CB-CE 4.37Å; F286-M363 HydrophobicContact CB-SD 3.87Å; F286-M363 HydrophobicContact CD1-CE 3.86Å; F286-M363 HydrophobicContact CD1-SD 4.46Å; F286-M363 HydrophobicContact CD2-CE 3.99Å; F286-M363 HydrophobicContact CD2-SD 4.06Å; F286-M363 HydrophobicContact CE1-CE 4.07Å; F286-M363 HydrophobicContact CE2-CE 4.21Å; F286-M363 HydrophobicContact CG-CE 3.8Å; F286-M363 HydrophobicContact CG-SD 3.88Å; F286-M363 HydrophobicContact CZ-CE 4.22Å
287I98.2Very high96.3Very high7 Ų734.5 Ų34.54%0.03617%0.165CC..Hα-helixtrans-71.4-34.3179.6-61.4163.5000111.1H196 V197 T223 H236 K283 D284 L290 Q291H196-I287 HydrophobicContact CB-CB 3.77Å; H196-I287 HydrophobicContact CB-CD1 4.4Å; H196-I287 HydrophobicContact CB-CG2 3.49Å; H196-I287 VanDerWaalsContact CB-CG2 3.49Å; V197-I287 HydrophobicContact CG1-CD1 4.03Å; T223-I287 HydrophobicContact CG2-CD1 4.2Å; T223-I287 HydrophobicContact CG2-CG1 4.48Å; H236-I287 HydrophobicContact CB-CG2 4.34Å; K283-I287 WeakPolarHBondContact O-CD1 3.49Å; K283-I287 VanDerWaalsContact O-CG1 3.22Å; K283-I287 WeakPolarHBondContact O-CG1 3.48Å; K283-I287 PolarHBondContact O-N 2.72Å; D284-I287 PolarHBondContact O-N 2.84Å; I287-L290 WeakPolarHBondContact O-CB 3.28Å; I287-L290 PolarHBondContact O-N 3.29Å; I287-Q291 WeakPolarHBondContact O-CB 3.28Å; I287-Q291 PolarHBondContact O-N 2.87Å
288D97.8Very high94.9Very high28 Ų2835 Ų3515%0.1517%0.173CC..Hα-helixtrans-63.2-41.3173.6-166.149.4000111K195 H196 D284 D285 Q291 T292K195-D288 VanDerWaalsContact CD-OD1 3.27Å; K195-D288 WeakPolarHBondContact CD-OD1 3.34Å; K195-D288 IonicContact NZ-OD1 3.59Å; K195-D288 PolarHBondContact NZ-OD1 3.45Å; K195-D288 IonicContact NZ-OD2 3.6Å; K195-D288 PolarHBondContact NZ-OD2 3.26Å; H196-D288 IonicContact CD2-OD1 3.62Å; H196-D288 IonicContact NE2-OD1 3.98Å; H196-D288 PolarHBondContact NE2-OD1 3.1Å; D284-D288 WeakPolarHBondContact O-CB 3.39Å; D284-D288 PolarHBondContact O-N 3.03Å; D285-D288 PolarHBondContact O-N 3.3Å; D288-Q291 PolarHBondContact O-N 2.82Å; D288-T292 WeakPolarHBondContact O-CB 3.41Å; D288-T292 PolarHBondContact O-N 2.82Å; D288-T292 PolarHBondContact O-OG1 3.22Å
289N97.9Very high93Very high65 Ų6537 Ų3735%0.34818%0.182SC..Hα-helixtrans-62.9-41.8173.5-70.7-19.7000111.6D285 F286 R293 C358D285-N289 WeakPolarHBondContact O-CB 3.28Å; D285-N289 PolarHBondContact O-N 2.83Å; D285-N289 PolarHBondContact O-ND2 3.24Å; F286-N289 PolarHBondContact O-N 3.37Å; N289-R293 WeakPolarHBondContact O-CB 3.33Å; N289-R293 PolarHBondContact O-N 3.39Å; N289-C358 HydrophobicContact CB-CB 3.79Å; N289-C358 WeakPolarHBondContact CB-O 3.31Å; N289-C358 PolarHBondContact ND2-O 3.28Å; N289-C358 PolarHBondContact O-SG 2.91Å; N289-C358 VanDerWaalsContact O-SG 3.38Å
290L97.6Very high91.1Very high9 Ų939.3 Ų39.35%0.04720%0.2CC..Hα-helixtrans-63.9-48.3174.7-71.3173.6000111V225 F286 I287 T292 R293 F294 F355 C358V225-L290 HydrophobicContact CG1-CD1 4.14Å; V225-L290 HydrophobicContact CG2-CD1 3.79Å; F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CD2-CD1 4.3Å; F286-L290 HydrophobicContact CD2-CG 4.3Å; F286-L290 HydrophobicContact CE1-CD1 3.98Å; F286-L290 HydrophobicContact CE2-CD1 3.77Å; F286-L290 HydrophobicContact CE2-CD2 4.19Å; F286-L290 HydrophobicContact CE2-CG 3.91Å; F286-L290 HydrophobicContact CZ-CD1 3.61Å; F286-L290 HydrophobicContact CZ-CG 4.27Å; F286-L290 WeakPolarHBondContact O-CG 3.37Å; F286-L290 PolarHBondContact O-N 3.29Å; I287-L290 WeakPolarHBondContact O-CB 3.28Å; I287-L290 PolarHBondContact O-N 3.29Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.45Å; L290-R293 PolarHBondContact O-N 2.86Å; L290-F294 HydrophobicContact CD2-CD2 4.13Å; L290-F294 HydrophobicContact CD2-CE2 3.75Å; L290-F294 WeakPolarHBondContact O-CB 3.15Å; L290-F294 VanDerWaalsContact O-CD2 3.31Å; L290-F294 WeakPolarHBondContact O-CD2 3.31Å; L290-F294 PolarHBondContact O-N 2.87Å; L290-F355 HydrophobicContact CD1-CD2 4.38Å; L290-F355 HydrophobicContact CD1-CE2 3.7Å; L290-F355 HydrophobicContact CD1-CZ 4.19Å; L290-F355 HydrophobicContact CD2-CD2 3.4Å; L290-F355 VanDerWaalsContact CD2-CD2 3.4Å; L290-F355 HydrophobicContact CD2-CE2 3.6Å; L290-F355 HydrophobicContact CD2-CG 4.1Å; L290-F355 HydrophobicContact CD2-CZ 4.43Å; L290-F355 HydrophobicContact CG-CE2 4.34Å; L290-C358 HydrophobicContact CD2-CB 3.65Å; L290-C358 HydrophobicContact CG-CB 4Å
291Q96.4Very high88.8Confident28 Ų2841.1 Ų41.113%0.13121%0.209CC..Hα-helixtrans-56.5-49.5179.1-177.66526.700110.7D235 I287 D288 R293 Y295 N340D235-Q291 PolarHBondContact OD1-NE2 3.01Å; D235-Q291 PolarHBondContact OD1-OE1 3.06Å; I287-Q291 WeakPolarHBondContact O-CB 3.28Å; I287-Q291 PolarHBondContact O-N 2.87Å; D288-Q291 PolarHBondContact O-N 2.82Å; Q291-R293 VanDerWaalsContact C-N 3.35Å; Q291-R293 PolarHBondContact O-N 3.21Å; Q291-Y295 WeakPolarHBondContact O-CA 3.4Å; Q291-Y295 WeakPolarHBondContact O-CB 3.48Å; Q291-Y295 PolarHBondContact O-N 3.1Å; Q291-N340 PolarHBondContact NE2-ND2 3.17Å
292T95.2Very high86.3Confident90 Ų9044.2 Ų44.255%0.55223%0.226SC*.Hα-helixtrans-67.4-34.3-178-55.70000112.5D288 L290D288-T292 WeakPolarHBondContact O-CB 3.41Å; D288-T292 PolarHBondContact O-N 2.82Å; D288-T292 PolarHBondContact O-OG1 3.22Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.45Å
293R96.2Very high83.6Confident95 Ų9549.6 Ų49.636%0.35826%0.255SS..Hα-helixtrans-76.6-41.4-179.7179.668.480.9169.85.8112.5N289 L290 Q291 L344 N354 C358N289-R293 WeakPolarHBondContact O-CB 3.33Å; N289-R293 PolarHBondContact O-N 3.39Å; L290-R293 PolarHBondContact O-N 2.86Å; Q291-R293 VanDerWaalsContact C-N 3.35Å; Q291-R293 PolarHBondContact O-N 3.21Å; R293-L344 HydrophobicContact CG-CD1 4.25Å; R293-N354 WeakPolarHBondContact CD-OD1 3.38Å; R293-N354 HydrophobicContact CG-CB 4.2Å; R293-C358 VanDerWaalsContact CB-SG 3.53Å
294F96.5Very high80.9Confident1 Ų154.3 Ų54.30%0.00428%0.277CS..Hα-helixtrans-95.7-19.1-171.4-74.4-95.5000113.5Y232 P233 L290 R342 C343 L344 I351 N354 F355Y232-F294 HydrophobicContact CD1-CD1 4.45Å; Y232-F294 HydrophobicContact CE1-CB 4.1Å; Y232-F294 AromaticContact CE1-CD1 3.91Å; Y232-F294 HydrophobicContact CE1-CD1 3.91Å; Y232-F294 HydrophobicContact CE2-CD1 4.09Å; Y232-F294 AromaticContact CZ-CD1 3.71Å; Y232-F294 PolarHBondContact OH-O 2.93Å; P233-F294 HydrophobicContact CG-CD1 4.1Å; P233-F294 HydrophobicContact CG-CD2 4.48Å; P233-F294 HydrophobicContact CG-CE1 3.93Å; P233-F294 HydrophobicContact CG-CE2 4.32Å; P233-F294 HydrophobicContact CG-CG 4.38Å; P233-F294 HydrophobicContact CG-CZ 4.04Å; L290-F294 HydrophobicContact CD2-CD2 4.13Å; L290-F294 HydrophobicContact CD2-CE2 3.75Å; L290-F294 WeakPolarHBondContact O-CB 3.15Å; L290-F294 VanDerWaalsContact O-CD2 3.31Å; L290-F294 WeakPolarHBondContact O-CD2 3.31Å; L290-F294 PolarHBondContact O-N 2.87Å; F294-R342 WeakPolarHBondContact O-CA 3.4Å; F294-C343 PolarHBondContact O-N 3.41Å; F294-L344 HydrophobicContact CD1-CD1 3.82Å; F294-L344 HydrophobicContact CE1-CD1 3.66Å; F294-L344 HydrophobicContact CE2-CD1 4.47Å; F294-L344 HydrophobicContact CG-CD1 4.3Å; F294-L344 HydrophobicContact CZ-CD1 4.02Å; F294-I351 HydrophobicContact CE1-CB 4.41Å; F294-I351 HydrophobicContact CE1-CG1 4.36Å; F294-I351 HydrophobicContact CE1-CG2 3.97Å; F294-I351 HydrophobicContact CZ-CG2 4.32Å; F294-N354 HydrophobicContact CE2-CB 4.29Å; F294-N354 HydrophobicContact CZ-CB 3.91Å; F294-F355 HydrophobicContact CZ-CB 4.31Å
295Y95.4Very high77.9Confident18 Ų1857.8 Ų57.87%0.07130%0.301CS..EExtended strand (participates in β ladder)trans-138.3141.5-174.8-67.7-79.3000112.8Y232 P233 D235 Q291 N340 I341 R342Y232-Y295 HydrophobicContact CD1-CE2 4.49Å; Y232-Y295 HydrophobicContact CE1-CE1 4.13Å; Y232-Y295 AromaticContact CE1-CE2 3.95Å; Y232-Y295 HydrophobicContact CE1-CE2 3.95Å; Y232-Y295 AromaticContact CE1-CZ 3.61Å; P233-Y295 VanDerWaalsContact O-CE2 3.25Å; P233-Y295 WeakPolarHBondContact O-CE2 3.48Å; P233-Y295 PolarHBondContact O-OH 3.43Å; D235-Y295 HydrophobicContact CB-CD1 3.99Å; D235-Y295 HydrophobicContact CB-CD2 4Å; D235-Y295 HydrophobicContact CB-CE1 3.74Å; D235-Y295 HydrophobicContact CB-CE2 3.75Å; D235-Y295 HydrophobicContact CB-CG 4.11Å; D235-Y295 VanDerWaalsContact N-CZ 3.28Å; D235-Y295 PolarHBondContact N-OH 2.8Å; D235-Y295 VanDerWaalsContact N-OH 3.15Å; Q291-Y295 WeakPolarHBondContact O-CA 3.4Å; Q291-Y295 WeakPolarHBondContact O-CB 3.48Å; Q291-Y295 PolarHBondContact O-N 3.1Å; Y295-N340 HydrophobicContact CD1-CB 4.17Å; Y295-N340 HydrophobicContact CG-CB 4.45Å; Y295-I341 WeakPolarHBondContact CA-O 3.32Å; Y295-R342 HydrophobicContact CE1-CG 3.87Å
296K89.5Confident74.9Confident97 Ų9764.2 Ų64.242%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-130.1142.9171.8-82.4174.5-174.8-178.30110.2S298 N340 I341 C343K296-S298 PolarHBondContact O-N 2.82Å; K296-N340 CarbonylContact O-C 3.48Å; K296-N340 WeakPolarHBondContact O-CA 3.42Å; K296-N340 WeakPolarHBondContact O-CB 3.22Å; K296-I341 PolarHBondContact N-O 3.06Å; K296-I341 VanDerWaalsContact N-O 3.1Å; K296-I341 PolarHBondContact O-N 2.84Å; K296-C343 VanDerWaalsContact CB-SG 3.58Å; K296-C343 WeakPolarHBondContact CG-SG 3.28Å; K296-C343 PolarHBondContact N-SG 3.08Å; K296-C343 VanDerWaalsContact N-SG 3.36Å
297S79.4Confident71.8Confident35 Ų3567.8 Ų67.825%0.24535%0.352CS..EExtended strand (participates in β ladder)trans-63134.7175.8172.50000111.4Q299 T300 N340S297-Q299 PolarHBondContact O-N 3.48Å; S297-Q299 PolarHBondContact OG-N 2.87Å; S297-T300 WeakPolarHBondContact O-CB 3.39Å; S297-T300 PolarHBondContact O-N 2.91Å; S297-T300 VanDerWaalsContact O-N 3.15Å; S297-N340 VanDerWaalsContact CA-OD1 3.29Å; S297-N340 WeakPolarHBondContact CA-OD1 3.12Å
298S68.9Low68.5Low40 Ų4074.3 Ų74.328%0.2839%0.387SS..Hα-helixtrans-59.9-28.5174.7-56.80000112.5K296 T300 L301 Q302 K339 I341K296-S298 PolarHBondContact O-N 2.82Å; S298-T300 VanDerWaalsContact C-N 3.34Å; S298-L301 PolarHBondContact O-N 2.83Å; S298-Q302 PolarHBondContact O-N 2.9Å; S298-K339 VanDerWaalsContact CB-O 3.27Å; S298-K339 WeakPolarHBondContact CB-O 3.3Å; S298-K339 PolarHBondContact N-O 3.28Å; S298-K339 PolarHBondContact OG-O 2.88Å; S298-I341 WeakPolarHBondContact OG-CD1 3.34Å
299Q57.8Low65.5Low129 Ų12982.1 Ų82.160%0.60342%0.422SS*.Hα-helixtrans-69.7-31.1178.6-66.1178.8-16.500112.5S297 L301 Q302 N303S297-Q299 PolarHBondContact O-N 3.48Å; S297-Q299 PolarHBondContact OG-N 2.87Å; Q299-L301 PolarHBondContact O-N 2.99Å; Q299-Q302 PolarHBondContact O-N 3.19Å; Q299-N303 PolarHBondContact O-N 3.39Å
300T56.7Low62.3Low79 Ų7987 Ų8749%0.48544%0.443SS..Hα-helixtrans-67-29.4177.5-490000111.6S297 S298S297-T300 WeakPolarHBondContact O-CB 3.39Å; S297-T300 PolarHBondContact O-N 2.91Å; S297-T300 VanDerWaalsContact O-N 3.15Å; S298-T300 VanDerWaalsContact C-N 3.34Å
301L50.4Low59.1Low39 Ų3992.6 Ų92.620%0.20447%0.473CS..Hα-helixtrans-79.5-39.5178.2-74.6151.1000112.6S298 Q299 N303 H304 S305 I341S298-L301 PolarHBondContact O-N 2.83Å; Q299-L301 PolarHBondContact O-N 2.99Å; L301-N303 VanDerWaalsContact C-N 3.32Å; L301-N303 PolarHBondContact O-N 3.45Å; L301-H304 PolarHBondContact O-N 3Å; L301-H304 VanDerWaalsContact O-N 3.09Å; L301-S305 PolarHBondContact O-N 3.22Å; L301-S305 VanDerWaalsContact O-N 3.09Å; L301-I341 HydrophobicContact CD1-CD1 3.54Å
302Q46.1Very low56Low122 Ų12292.8 Ų92.857%0.5748%0.476SS*.Hα-helixtrans-62.5-38.9177.8-72.1-180-8.900112.2S298 Q299 H304 S305S298-Q302 PolarHBondContact O-N 2.9Å; Q299-Q302 PolarHBondContact O-N 3.19Å; Q302-H304 PolarHBondContact O-N 3.19Å; Q302-S305 WeakPolarHBondContact CA-OG 3.32Å; Q302-S305 PolarHBondContact O-N 3.39Å; Q302-S305 PolarHBondContact O-OG 3.46Å
303N41.7Very low52.8Low122 Ų12296.6 Ų96.665%0.65249%0.485SS*.Hα-helixtrans-67.3-20.4176-72.8-7.5000113.5Q299 L301Q299-N303 PolarHBondContact O-N 3.39Å; L301-N303 VanDerWaalsContact C-N 3.32Å; L301-N303 PolarHBondContact O-N 3.45Å
304H42.2Very low49.5Very low100 Ų10098.3 Ų98.346%0.46350%0.497SS..Hα-helixtrans-89.7-22.3173-76.4-16.7000113.4L301 Q302 H306 T307 T312L301-H304 PolarHBondContact O-N 3Å; L301-H304 VanDerWaalsContact O-N 3.09Å; Q302-H304 PolarHBondContact O-N 3.19Å; H304-H306 VanDerWaalsContact C-N 3.33Å; H304-T307 PolarHBondContact O-OG1 2.91Å; H304-T312 HydrophobicContact CB-CG2 4.06Å
305S36.5Very low46.5Very low75 Ų75101.3 Ų101.352%0.52452%0.518SS..Hα-helixtrans-74.6-19.1176.363.40000114.5L301 Q302L301-S305 PolarHBondContact O-N 3.22Å; L301-S305 VanDerWaalsContact O-N 3.09Å; Q302-S305 WeakPolarHBondContact CA-OG 3.32Å; Q302-S305 PolarHBondContact O-N 3.39Å; Q302-S305 PolarHBondContact O-OG 3.46Å
306H34.7Very low43.7Very low169 Ų169104.6 Ų104.678%0.78254%0.536SS*.THydrogen-bonded Turntrans-91.30.9176.9-76.7-64.8000114.5H304H304-H306 VanDerWaalsContact C-N 3.33Å
307T32Very low40.9Very low76 Ų76103 Ų10347%0.46654%0.535SS..SBendtrans-115.510717647.20000110.5H304 T312H304-T307 PolarHBondContact O-OG1 2.91Å; T307-T312 PolarHBondContact O-OG1 3.38Å
308D29.4Very low38.7Very low144 Ų144106.3 Ų106.377%0.7755%0.554SS**  trans45113.3163-61.6-31.4000119.4Q310 T312D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.46Å; D308-T312 PolarHBondContact O-OG1 2.91Å
309H36Very low37.3Very low192 Ų192110.7 Ų110.789%0.88957%0.573SS**THydrogen-bonded Turntrans-66.916.9-167.8-96.2-65.3000118.5
310Q29.2Very low36.4Very low167 Ų167106.2 Ų106.278%0.7855%0.553SS**THydrogen-bonded Turntrans-134.4-32-178.8-71.8-175.9-2000116.2D308D308-Q310 VanDerWaalsContact C-N 3.27Å; D308-Q310 PolarHBondContact O-N 3.46Å
311N30.2Very low35.8Very low127 Ų127109.5 Ų109.568%0.67957%0.568SS**Hα-helixtrans-92.5-16-177.9-71.8-15.4000114.2S315N311-S315 PolarHBondContact O-N 3.37Å; N311-S315 PolarHBondContact O-OG 3.25Å
312T31.8Very low35.4Very low31 Ų31113 Ų11319%0.1958%0.579CS.*Hα-helixtrans-80.1-25.9-177-43.70000112.3H304 T307 D308 S315 I316H304-T312 HydrophobicContact CB-CG2 4.06Å; T307-T312 PolarHBondContact O-OG1 3.38Å; D308-T312 PolarHBondContact O-OG1 2.91Å; T312-S315 WeakPolarHBondContact CA-OG 3.39Å; T312-S315 PolarHBondContact O-OG 2.98Å; T312-I316 HydrophobicContact CG2-CD1 3.93Å; T312-I316 HydrophobicContact CG2-CG1 4.44Å; T312-I316 WeakPolarHBondContact O-CD1 3.15Å; T312-I316 VanDerWaalsContact O-CG1 3.27Å; T312-I316 WeakPolarHBondContact O-CG1 3.47Å; T312-I316 PolarHBondContact O-N 2.8Å
313F28.9Very low35.1Very low171 Ų171114.2 Ų114.275%0.7559%0.59SS**Hα-helixtrans-63.3-45.5175.6-151.9-95.3000110.4I316 T317F313-I316 PolarHBondContact O-N 3.04Å; F313-T317 PolarHBondContact O-N 3.41Å; F313-T317 PolarHBondContact O-OG1 3.2Å
314E27.5Very low35.2Very low131 Ų131110.7 Ų110.761%0.61257%0.572SS**Hα-helixtrans-67.8-40.1179.2-73.1-174.6160.600113.4I316 T317 T318E314-I316 VanDerWaalsContact C-N 3.28Å; E314-I316 PolarHBondContact O-N 3.24Å; E314-T317 WeakPolarHBondContact CA-OG1 3.41Å; E314-T317 PolarHBondContact O-N 2.8Å; E314-T317 PolarHBondContact O-OG1 2.98Å; E314-T317 VanDerWaalsContact O-OG1 3.1Å; E314-T318 WeakPolarHBondContact O-CB 3.38Å; E314-T318 VanDerWaalsContact O-CG2 3.22Å; E314-T318 WeakPolarHBondContact O-CG2 3.37Å; E314-T318 PolarHBondContact O-N 2.93Å; E314-T318 PolarHBondContact O-OG1 2.99Å
315S31.9Very low35.2Very low64 Ų64108.8 Ų108.845%0.44857%0.566SS.*Hα-helixtrans-72.2-20.9-179.134.70000113.3N311 T312 T318N311-S315 PolarHBondContact O-N 3.37Å; N311-S315 PolarHBondContact O-OG 3.25Å; T312-S315 WeakPolarHBondContact CA-OG 3.39Å; T312-S315 PolarHBondContact O-OG 2.98Å; S315-T318 WeakPolarHBondContact CA-OG1 3.5Å; S315-T318 PolarHBondContact O-OG1 3.5Å
316I36.3Very low35.4Very low86 Ų86111.4 Ų111.444%0.44157%0.565SS.*Hα-helixtrans-82.5-41.5172.3-66.6170.2000111.1T312 F313 E314 T318T312-I316 HydrophobicContact CG2-CD1 3.93Å; T312-I316 HydrophobicContact CG2-CG1 4.44Å; T312-I316 WeakPolarHBondContact O-CD1 3.15Å; T312-I316 VanDerWaalsContact O-CG1 3.27Å; T312-I316 WeakPolarHBondContact O-CG1 3.47Å; T312-I316 PolarHBondContact O-N 2.8Å; F313-I316 PolarHBondContact O-N 3.04Å; E314-I316 VanDerWaalsContact C-N 3.28Å; E314-I316 PolarHBondContact O-N 3.24Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3.29Å
317T30.6Very low35.3Very low64 Ų64110.5 Ų110.539%0.39357%0.566SS.*Hα-helixtrans-66.9-28.6174.124.70000114.2F313 E314 N320F313-T317 PolarHBondContact O-N 3.41Å; F313-T317 PolarHBondContact O-OG1 3.2Å; E314-T317 WeakPolarHBondContact CA-OG1 3.41Å; E314-T317 PolarHBondContact O-N 2.8Å; E314-T317 PolarHBondContact O-OG1 2.98Å; E314-T317 VanDerWaalsContact O-OG1 3.1Å; T317-N320 CarbonylContact O-C 3.53Å
318T34.7Very low35.5Very low105 Ų105110.2 Ų110.264%0.64456%0.562SS**THydrogen-bonded Turntrans-80.1-21.5-170.540.80000114.8E314 S315 I316E314-T318 WeakPolarHBondContact O-CB 3.38Å; E314-T318 VanDerWaalsContact O-CG2 3.22Å; E314-T318 WeakPolarHBondContact O-CG2 3.37Å; E314-T318 PolarHBondContact O-N 2.93Å; E314-T318 PolarHBondContact O-OG1 2.99Å; S315-T318 WeakPolarHBondContact CA-OG1 3.5Å; S315-T318 PolarHBondContact O-OG1 3.5Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3.29Å
319L38.9Very low35.8Very low131 Ų131108.7 Ų108.769%0.68655%0.553SS**THydrogen-bonded Turntrans-86.1-27.7-178.5-99.3148.4000113.9
320N37.8Very low35.9Very low36 Ų36103.7 Ų103.719%0.19353%0.533CS..  trans-146.3119171.8-72.7-32000106.3T317 Y322T317-N320 CarbonylContact O-C 3.53Å; N320-Y322 PolarHBondContact O-N 2.88Å
321N45.4Very low35.8Very low147 Ų147103 Ų10379%0.78654%0.535SS*.SBendtrans-65.533.3173.1-76.1-13.7000113.2
322Y41.3Very low35.8Very low112 Ų112102.7 Ų102.744%0.43953%0.533SS..SBendtrans-133.8130-179.2-62.5-70.4000109.8N320 V324 P345 I350N320-Y322 PolarHBondContact O-N 2.88Å; Y322-V324 PolarHBondContact O-N 3.39Å; Y322-P345 HydrophobicContact CD1-CG 3.71Å; Y322-P345 HydrophobicContact CD2-CG 4.23Å; Y322-P345 HydrophobicContact CE1-CG 4.19Å; Y322-P345 HydrophobicContact CG-CG 3.74Å; Y322-I350 HydrophobicContact CD1-CD1 4.26Å; Y322-I350 HydrophobicContact CE1-CD1 3.43Å; Y322-I350 VanDerWaalsContact CE1-CD1 3.43Å; Y322-I350 HydrophobicContact CE2-CD1 4.04Å; Y322-I350 HydrophobicContact CE2-CG2 4.23Å; Y322-I350 VanDerWaalsContact OH-CD1 3.25Å; Y322-I350 WeakPolarHBondContact OH-CD1 3.39Å
323D39.3Very low35.8Very low149 Ų149108.4 Ų108.480%0.79756%0.562SS**  trans-59130.8170.9-65.8-46000110.1D325D323-D325 PolarHBondContact O-N 2.91Å
324V44.5Very low35.9Very low47 Ų47107.5 Ų107.529%0.28557%0.566SS.*  trans-66.5119.5175.8175.10000108.6Y322 Y326 I341Y322-V324 PolarHBondContact O-N 3.39Å; V324-Y326 HydrophobicContact CB-CD2 4.37Å; V324-Y326 HydrophobicContact CB-CE2 4.12Å; V324-Y326 HydrophobicContact CG1-CD2 4.12Å; V324-Y326 HydrophobicContact CG1-CE2 3.91Å; V324-Y326 WeakPolarHBondContact O-CD2 3.42Å; V324-Y326 PolarHBondContact O-N 3.28Å; V324-I341 HydrophobicContact CG1-CG2 3.43Å; V324-I341 VanDerWaalsContact CG1-CG2 3.43Å
325D41.2Very low36.4Very low60 Ų60108.8 Ų108.832%0.32158%0.577SS.*  trans-77.189.4-178.1-166.57.2000110.9D323 N327D323-D325 PolarHBondContact O-N 2.91Å; D325-N327 VanDerWaalsContact C-N 3.26Å; D325-N327 PolarHBondContact O-N 3.16Å; D325-N327 PolarHBondContact OD1-N 3.45Å
326Y40.9Very low37Very low130 Ų130110.6 Ų110.651%0.5158%0.581SS.*THydrogen-bonded Turntrans-71-18.1177.3-83.6-86.4000113.6V324 N328 I341V324-Y326 HydrophobicContact CB-CD2 4.37Å; V324-Y326 HydrophobicContact CB-CE2 4.12Å; V324-Y326 HydrophobicContact CG1-CD2 4.12Å; V324-Y326 HydrophobicContact CG1-CE2 3.91Å; V324-Y326 WeakPolarHBondContact O-CD2 3.42Å; V324-Y326 PolarHBondContact O-N 3.28Å; Y326-N328 VanDerWaalsContact C-N 3.35Å; Y326-N328 PolarHBondContact O-N 3.35Å; Y326-I341 HydrophobicContact CD1-CD1 4.27Å; Y326-I341 HydrophobicContact CE1-CD1 3.62Å
327N32.8Very low37.8Very low151 Ų151111.2 Ų111.281%0.80759%0.593SS**THydrogen-bonded Turntrans-86.4-2.2-168.2-79.2-26.6000114.6D325 N329D325-N327 VanDerWaalsContact C-N 3.26Å; D325-N327 PolarHBondContact O-N 3.16Å; D325-N327 PolarHBondContact OD1-N 3.45Å; N327-N329 VanDerWaalsContact C-N 3.35Å; N327-N329 PolarHBondContact O-N 3.26Å
328N36.7Very low39.1Very low70 Ų70109.6 Ų109.637%0.37458%0.584SS.*  trans-98.950.8178.6-121.9-16.8000112.2Y326 D330Y326-N328 VanDerWaalsContact C-N 3.35Å; Y326-N328 PolarHBondContact O-N 3.35Å; N328-D330 PolarHBondContact O-N 2.71Å
329N36.4Very low40.9Very low112 Ų112112.1 Ų112.160%0.59959%0.586SS**  trans-68.7104.7151.2-82.4-26.1000105.9N327 N331N327-N329 VanDerWaalsContact C-N 3.35Å; N327-N329 PolarHBondContact O-N 3.26Å; N329-N331 VanDerWaalsContact C-N 3.26Å; N329-N331 PolarHBondContact O-N 3.14Å
330D37.2Very low43.2Very low86 Ų86107.4 Ų107.446%0.4656%0.562SS.*  trans-5196.2167.4-98.7-58000108R249 N328 N332R249-D330 IonicContact CZ-OD1 3.81Å; R249-D330 IonicContact NH1-OD1 2.9Å; R249-D330 PolarHBondContact NH1-OD1 3.41Å; R249-D330 IonicContact NH2-OD1 3.8Å; N328-D330 PolarHBondContact O-N 2.71Å; D330-N332 PolarHBondContact O-N 2.81Å
331N28.3Very low45.6Very low152 Ų152107 Ų10781%0.81356%0.559SS**  trans-72.428.9-173.1-98.6-22000113.2N329N329-N331 VanDerWaalsContact C-N 3.26Å; N329-N331 PolarHBondContact O-N 3.14Å
332N29.7Very low47.9Very low121 Ų121101 Ų10165%0.64753%0.526SS*.  trans-146.875-176.9-89.1-37.7000111.8D330D330-N332 PolarHBondContact O-N 2.81Å
333N30.8Very low50.3Low151 Ų15196 Ų9681%0.80751%0.507SS*.SBend170.4125.4126.1-91.4-26.1000109.8
334N31.9Very low52.8Low153 Ų15389 Ų8982%0.81847%0.47SS*.THydrogen-bonded Turntrans-26.8126.3174.7-67.4-30.1000116N336N334-N336 PolarHBondContact O-N 2.91Å
335N38.1Very low55.1Low157 Ų15788 Ų8884%0.8446%0.464SS*.THydrogen-bonded Turntrans74.61.1152.8-67.1-6.3000122.3
336N43.4Very low57.4Low102 Ų10287.9 Ų87.955%0.54546%0.464SS..  trans-139.354.3174-76.7-32.6000113W173 N334W173-N336 HydrophobicContact CH2-CB 4.07Å; W173-N336 HydrophobicContact CZ2-CB 3.76Å; N334-N336 PolarHBondContact O-N 2.91Å
337S53.2Low60Low99 Ų9984.9 Ų84.969%0.69246%0.456SS*.  trans-61.2143170.863.60000110.3K339S337-K339 PolarHBondContact O-N 3.12Å
338S58.3Low62.8Low30 Ų3079.7 Ų79.721%0.2143%0.428CS..  trans-50.6135.1169.61770000109.4D235 N340D235-S338 WeakPolarHBondContact OD2-CB 3.27Å; D235-S338 PolarHBondContact OD2-OG 2.78Å; S338-N340 PolarHBondContact O-N 2.93Å; S338-N340 WeakPolarHBondContact OG-CA 3.46Å; S338-N340 WeakPolarHBondContact OG-CB 3.46Å; S338-N340 PolarHBondContact OG-N 2.9Å; S338-N340 PolarHBondContact OG-O 3.27Å
339K72.9Confident65.5Low158 Ų15880.8 Ų80.869%0.68744%0.439SS*.SBendtrans-74.9-6.2168.3-67.5-178.7179.9176.80112S298 S337S298-K339 VanDerWaalsContact CB-O 3.27Å; S298-K339 WeakPolarHBondContact CB-O 3.3Å; S298-K339 PolarHBondContact N-O 3.28Å; S298-K339 PolarHBondContact OG-O 2.88Å; S337-K339 PolarHBondContact O-N 3.12Å
340N86.4Confident68.3Low33 Ų3376.6 Ų76.618%0.17642%0.416CS..EExtended strand (participates in β ladder)trans-106.2145.7-176.8-51.1-46.5000111.8D235 S237 Q291 Y295 K296 S297 S338D235-N340 PolarHBondContact OD1-ND2 2.89Å; D235-N340 WeakPolarHBondContact OD2-CB 3.34Å; D235-N340 PolarHBondContact OD2-ND2 2.79Å; S237-N340 PolarHBondContact OG-ND2 3.26Å; Q291-N340 PolarHBondContact NE2-ND2 3.17Å; Y295-N340 HydrophobicContact CD1-CB 4.17Å; Y295-N340 HydrophobicContact CG-CB 4.45Å; K296-N340 CarbonylContact O-C 3.48Å; K296-N340 WeakPolarHBondContact O-CA 3.42Å; K296-N340 WeakPolarHBondContact O-CB 3.22Å; S297-N340 VanDerWaalsContact CA-OD1 3.29Å; S297-N340 WeakPolarHBondContact CA-OD1 3.12Å; S338-N340 PolarHBondContact O-N 2.93Å; S338-N340 WeakPolarHBondContact OG-CA 3.46Å; S338-N340 WeakPolarHBondContact OG-CB 3.46Å; S338-N340 PolarHBondContact OG-N 2.9Å; S338-N340 PolarHBondContact OG-O 3.27Å
341I89.5Confident71.1Confident26 Ų2672.5 Ų72.513%0.13340%0.395CS..EExtended strand (participates in β ladder)trans-101.4142.4-180-62.3156.9000109.1Y295 K296 S298 L301 V324 Y326 C343Y295-I341 WeakPolarHBondContact CA-O 3.32Å; K296-I341 PolarHBondContact N-O 3.06Å; K296-I341 VanDerWaalsContact N-O 3.1Å; K296-I341 PolarHBondContact O-N 2.84Å; S298-I341 WeakPolarHBondContact OG-CD1 3.34Å; L301-I341 HydrophobicContact CD1-CD1 3.54Å; V324-I341 HydrophobicContact CG1-CG2 3.43Å; V324-I341 VanDerWaalsContact CG1-CG2 3.43Å; Y326-I341 HydrophobicContact CD1-CD1 4.27Å; Y326-I341 HydrophobicContact CE1-CD1 3.62Å; I341-C343 PolarHBondContact O-N 3.05Å
342R92.9Very high74.2Confident23 Ų2367.6 Ų67.69%0.08737%0.366CS..EExtended strand (participates in β ladder)trans-63.5125.5174-67.3-173-172.7-147.70.5109.6D228 Y232 F294 Y295D228-R342 IonicContact OD2-CZ 3.07Å; D228-R342 IonicContact OD2-NH1 3.4Å; D228-R342 PolarHBondContact OD2-NH1 2.83Å; D228-R342 IonicContact OD2-NH2 2.98Å; D228-R342 PolarHBondContact OD2-NH2 3.4Å; Y232-R342 VanDerWaalsContact CB-NH1 3.34Å; Y232-R342 HydrophobicContact CD1-CG 4.33Å; Y232-R342 HydrophobicContact CE1-CB 4.15Å; Y232-R342 HydrophobicContact CE1-CG 3.7Å; Y232-R342 HydrophobicContact CE2-CB 4.35Å; Y232-R342 HydrophobicContact CE2-CG 4.47Å; Y232-R342 WeakPolarHBondContact OH-CA 3.39Å; Y232-R342 WeakPolarHBondContact OH-CB 3.33Å; F294-R342 WeakPolarHBondContact O-CA 3.4Å; Y295-R342 HydrophobicContact CE1-CG 3.87Å
343C91.8Very high77.3Confident6 Ų668.8 Ų68.84%0.04137%0.365CS..  trans-91.5-13.5-176.5-66.80000114.5Y232 F294 K296 I341Y232-C343 PolarHBondContact OH-N 3.44Å; F294-C343 PolarHBondContact O-N 3.41Å; K296-C343 VanDerWaalsContact CB-SG 3.58Å; K296-C343 WeakPolarHBondContact CG-SG 3.28Å; K296-C343 PolarHBondContact N-SG 3.08Å; K296-C343 VanDerWaalsContact N-SG 3.36Å; I341-C343 PolarHBondContact O-N 3.05Å
344L92.7Very high80.4Confident2 Ų262.4 Ų62.41%0.0133%0.331CS..SBendtrans-122151.2-175.5-64.8177.1000109.7Y232 R293 F294 N354Y232-L344 HydrophobicContact CE2-CB 4.12Å; Y232-L344 WeakPolarHBondContact CE2-O 3.37Å; Y232-L344 PolarHBondContact OH-N 2.81Å; R293-L344 HydrophobicContact CG-CD1 4.25Å; F294-L344 HydrophobicContact CD1-CD1 3.82Å; F294-L344 HydrophobicContact CE1-CD1 3.66Å; F294-L344 HydrophobicContact CE2-CD1 4.47Å; F294-L344 HydrophobicContact CG-CD1 4.3Å; F294-L344 HydrophobicContact CZ-CD1 4.02Å; L344-N354 HydrophobicContact CD1-CB 3.53Å; L344-N354 VanDerWaalsContact CD1-CG 3.44Å
345P91.7Very high83.5Confident25 Ų2555.2 Ų55.216%0.16229%0.293CS..  trans-65.8155.3174.830-36.4000110.4Y322 D347 I350Y322-P345 HydrophobicContact CD1-CG 3.71Å; Y322-P345 HydrophobicContact CD2-CG 4.23Å; Y322-P345 HydrophobicContact CE1-CG 4.19Å; Y322-P345 HydrophobicContact CG-CG 3.74Å; P345-D347 PolarHBondContact O-N 3.37Å; P345-I350 HydrophobicContact CG-CB 4.48Å; P345-I350 HydrophobicContact CG-CD1 3.67Å; P345-I350 HydrophobicContact CG-CG2 4.03Å
346N90.9Very high86.1Confident59 Ų5949.9 Ų49.932%0.31626%0.264SS..SBendtrans-7959.3176.9-165.729.7000111.8N230N230-N346 WeakPolarHBondContact CB-OD1 3.46Å; N230-N346 PolarHBondContact ND2-ND2 3.34Å
347D93.9Very high88.6Confident66 Ų6648.7 Ų48.735%0.35326%0.258SS..  trans-121.3119.4-179176.7-60.6000109.3P345 P349 I350 I351P345-D347 PolarHBondContact O-N 3.37Å; D347-P349 WeakPolarHBondContact OD1-CB 3.39Å; D347-P349 WeakPolarHBondContact OD1-CD 3.16Å; D347-I350 HydrophobicContact CB-CB 4.1Å; D347-I350 HydrophobicContact CB-CD1 3.76Å; D347-I350 HydrophobicContact CB-CG1 4.1Å; D347-I350 PolarHBondContact O-N 3.07Å; D347-I350 VanDerWaalsContact O-N 3.16Å; D347-I350 PolarHBondContact OD1-N 2.97Å; D347-I351 WeakPolarHBondContact O-CB 3.21Å; D347-I351 WeakPolarHBondContact O-CD1 3.4Å; D347-I351 WeakPolarHBondContact O-CG1 3.46Å; D347-I351 PolarHBondContact O-N 3.47Å
348L92.6Very high90.7Very high42 Ų4244.1 Ų44.122%0.2223%0.226CC..Hα-helixtrans-62.6-46.9-170.8179.165.6000113.8Y66 I350 I351 K352Y66-L348 HydrophobicContact CE2-CD1 4.48Å; Y66-L348 VanDerWaalsContact OH-CD1 3.26Å; Y66-L348 WeakPolarHBondContact OH-CD1 3.27Å; Y66-L348 WeakPolarHBondContact OH-CD2 3.4Å; L348-I350 VanDerWaalsContact C-N 3.31Å; L348-I350 PolarHBondContact O-N 3.4Å; L348-I351 PolarHBondContact O-N 3.2Å; L348-K352 HydrophobicContact CD1-CD 4.39Å; L348-K352 HydrophobicContact CD1-CG 4.02Å; L348-K352 HydrophobicContact CG-CD 4.33Å; L348-K352 HydrophobicContact CG-CG 4.37Å; L348-K352 WeakPolarHBondContact O-CB 3.43Å; L348-K352 WeakPolarHBondContact O-CG 3.33Å; L348-K352 PolarHBondContact O-N 3.37Å
349P93.8Very high92.5Very high93 Ų9343.5 Ų43.560%0.60422%0.219SC*.Hα-helixtrans-50.5-46.4169.3-29.531.3000114.1D347 K352 K353D347-P349 WeakPolarHBondContact OD1-CB 3.39Å; D347-P349 WeakPolarHBondContact OD1-CD 3.16Å; P349-K352 PolarHBondContact O-N 2.93Å; P349-K353 PolarHBondContact O-N 2.85Å; P349-K353 VanDerWaalsContact O-N 3.08Å
350I94.7Very high93.6Very high24 Ų2436.8 Ų36.812%0.12319%0.192CC..Hα-helixtrans-64.7-45.4178.9-65.7171.6000110.5Y322 P345 D347 L348 K353 N354Y322-I350 HydrophobicContact CD1-CD1 4.26Å; Y322-I350 HydrophobicContact CE1-CD1 3.43Å; Y322-I350 VanDerWaalsContact CE1-CD1 3.43Å; Y322-I350 HydrophobicContact CE2-CD1 4.04Å; Y322-I350 HydrophobicContact CE2-CG2 4.23Å; Y322-I350 VanDerWaalsContact OH-CD1 3.25Å; Y322-I350 WeakPolarHBondContact OH-CD1 3.39Å; P345-I350 HydrophobicContact CG-CB 4.48Å; P345-I350 HydrophobicContact CG-CD1 3.67Å; P345-I350 HydrophobicContact CG-CG2 4.03Å; D347-I350 HydrophobicContact CB-CB 4.1Å; D347-I350 HydrophobicContact CB-CD1 3.76Å; D347-I350 HydrophobicContact CB-CG1 4.1Å; D347-I350 PolarHBondContact O-N 3.07Å; D347-I350 VanDerWaalsContact O-N 3.16Å; D347-I350 PolarHBondContact OD1-N 2.97Å; L348-I350 VanDerWaalsContact C-N 3.31Å; L348-I350 PolarHBondContact O-N 3.4Å; I350-K353 PolarHBondContact O-N 2.85Å; I350-N354 PolarHBondContact O-N 2.84Å; I350-N354 PolarHBondContact O-ND2 2.88Å
351I95.8Very high94Very high0 Ų040.9 Ų40.90%022%0.223CC..Hα-helixtrans-59-50.2177.5-70.3162.5000110.5G231 Y232 Y254 F294 D347 L348 K353 N354 F355G231-I351 WeakPolarHBondContact O-CG2 3.27Å; Y232-I351 HydrophobicContact CD2-CD1 3.82Å; Y232-I351 HydrophobicContact CD2-CG1 4.08Å; Y232-I351 HydrophobicContact CG-CD1 4.46Å; Y254-I351 WeakPolarHBondContact OH-CG2 3.36Å; F294-I351 HydrophobicContact CE1-CB 4.41Å; F294-I351 HydrophobicContact CE1-CG1 4.36Å; F294-I351 HydrophobicContact CE1-CG2 3.97Å; F294-I351 HydrophobicContact CZ-CG2 4.32Å; D347-I351 WeakPolarHBondContact O-CB 3.21Å; D347-I351 WeakPolarHBondContact O-CD1 3.4Å; D347-I351 WeakPolarHBondContact O-CG1 3.46Å; D347-I351 PolarHBondContact O-N 3.47Å; L348-I351 PolarHBondContact O-N 3.2Å; I351-K353 VanDerWaalsContact C-N 3.35Å; I351-K353 PolarHBondContact O-N 2.65Å; I351-N354 PolarHBondContact O-N 3.16Å; I351-F355 VanDerWaalsContact O-CB 3.28Å; I351-F355 WeakPolarHBondContact O-CB 3.46Å; I351-F355 PolarHBondContact O-N 2.84Å
352K94.1Very high94.3Very high50 Ų5043.6 Ų43.622%0.21724%0.235CC..Hα-helixtrans-61.5-41.5-178.7-76.7-175.5175.1-170.90112.4L348 P349 F355 L356 E369L348-K352 HydrophobicContact CD1-CD 4.39Å; L348-K352 HydrophobicContact CD1-CG 4.02Å; L348-K352 HydrophobicContact CG-CD 4.33Å; L348-K352 HydrophobicContact CG-CG 4.37Å; L348-K352 WeakPolarHBondContact O-CB 3.43Å; L348-K352 WeakPolarHBondContact O-CG 3.33Å; L348-K352 PolarHBondContact O-N 3.37Å; P349-K352 PolarHBondContact O-N 2.93Å; K352-F355 PolarHBondContact O-N 2.89Å; K352-L356 PolarHBondContact O-N 2.73Å; K352-L356 VanDerWaalsContact O-N 3.15Å; K352-E369 IonicContact NZ-OE2 2.65Å; K352-E369 PolarHBondContact NZ-OE2 2.76Å
353K94.4Very high94.5Very high145 Ų14543.2 Ų43.263%0.6323%0.234SC*.Hα-helixtrans-61.4-51.7176-177.8-177.5176.2-177.20110.9P349 I350 I351 F355 L356 D357P349-K353 PolarHBondContact O-N 2.85Å; P349-K353 VanDerWaalsContact O-N 3.08Å; I350-K353 PolarHBondContact O-N 2.85Å; I351-K353 VanDerWaalsContact C-N 3.35Å; I351-K353 PolarHBondContact O-N 2.65Å; K353-F355 VanDerWaalsContact C-N 3.29Å; K353-F355 PolarHBondContact O-N 2.84Å; K353-L356 PolarHBondContact O-N 3.46Å; K353-D357 PolarHBondContact O-N 3.21Å; K353-D357 VanDerWaalsContact O-N 3.16Å
354N95.8Very high94.6Very high17 Ų1744.7 Ų44.79%0.09125%0.245CC..Hα-helixtrans-64.2-34.4179.7-79.4-85.4000112.5R293 F294 L344 I350 I351 D357 C358R293-N354 WeakPolarHBondContact CD-OD1 3.38Å; R293-N354 HydrophobicContact CG-CB 4.2Å; F294-N354 HydrophobicContact CE2-CB 4.29Å; F294-N354 HydrophobicContact CZ-CB 3.91Å; L344-N354 HydrophobicContact CD1-CB 3.53Å; L344-N354 VanDerWaalsContact CD1-CG 3.44Å; I350-N354 PolarHBondContact O-N 2.84Å; I350-N354 PolarHBondContact O-ND2 2.88Å; I351-N354 PolarHBondContact O-N 3.16Å; N354-D357 PolarHBondContact O-N 3.46Å; N354-C358 PolarHBondContact O-N 3.42Å; N354-C358 PolarHBondContact O-SG 3.07Å
355F95.7Very high94.5Very high2 Ų250.6 Ų50.61%0.00927%0.27CS..Hα-helixtrans-61.8-43.7175.3-168.8-87.7000111.9Y68 V225 P233 Y254 F286 L290 F294 I351 K352 K353 D357 C358 F359Y68-F355 HydrophobicContact CD2-CE1 4.09Å; Y68-F355 HydrophobicContact CE1-CD1 4.41Å; Y68-F355 HydrophobicContact CE2-CD1 4.03Å; Y68-F355 AromaticContact CE2-CE1 3.75Å; Y68-F355 HydrophobicContact CE2-CE1 3.75Å; Y68-F355 AromaticContact CZ-CD1 3.87Å; V225-F355 HydrophobicContact CB-CE2 4.45Å; V225-F355 HydrophobicContact CG1-CE2 4.29Å; P233-F355 HydrophobicContact CG-CD2 3.94Å; P233-F355 HydrophobicContact CG-CE2 4.27Å; Y254-F355 AromaticContact CD1-CD1 3.66Å; Y254-F355 HydrophobicContact CD1-CD1 3.66Å; Y254-F355 AromaticContact CD1-CD2 3.74Å; Y254-F355 HydrophobicContact CD1-CD2 3.74Å; Y254-F355 AromaticContact CD1-CE1 3.51Å; Y254-F355 HydrophobicContact CD1-CE1 3.51Å; Y254-F355 AromaticContact CD1-CE2 3.61Å; Y254-F355 HydrophobicContact CD1-CE2 3.61Å; Y254-F355 AromaticContact CD1-CG 3.78Å; Y254-F355 HydrophobicContact CD1-CG 3.78Å; Y254-F355 AromaticContact CD1-CZ 3.49Å; Y254-F355 HydrophobicContact CD1-CZ 3.49Å; Y254-F355 VanDerWaalsContact CD1-CZ 3.49Å; Y254-F355 HydrophobicContact CD2-CE2 4.15Å; Y254-F355 HydrophobicContact CD2-CZ 4.49Å; Y254-F355 HydrophobicContact CE1-CB 4.44Å; Y254-F355 HydrophobicContact CE1-CD1 4.15Å; Y254-F355 HydrophobicContact CE1-CD2 4.01Å; Y254-F355 HydrophobicContact CE1-CE1 4.43Å; Y254-F355 HydrophobicContact CE1-CE2 4.31Å; Y254-F355 AromaticContact CE1-CG 3.94Å; Y254-F355 HydrophobicContact CE1-CG 3.94Å; Y254-F355 HydrophobicContact CG-CD2 4.09Å; Y254-F355 HydrophobicContact CG-CE1 4.01Å; Y254-F355 AromaticContact CG-CE2 3.55Å; Y254-F355 HydrophobicContact CG-CE2 3.55Å; Y254-F355 AromaticContact CG-CZ 3.51Å; Y254-F355 HydrophobicContact CG-CZ 3.51Å; F286-F355 HydrophobicContact CE1-CZ 4.34Å; F286-F355 HydrophobicContact CE2-CE1 4.35Å; F286-F355 HydrophobicContact CE2-CZ 4.31Å; F286-F355 AromaticContact CZ-CE1 3.73Å; F286-F355 HydrophobicContact CZ-CE1 3.73Å; F286-F355 HydrophobicContact CZ-CE2 4.23Å; F286-F355 AromaticContact CZ-CZ 3.48Å; F286-F355 HydrophobicContact CZ-CZ 3.48Å; F286-F355 VanDerWaalsContact CZ-CZ 3.48Å; L290-F355 HydrophobicContact CD1-CD2 4.38Å; L290-F355 HydrophobicContact CD1-CE2 3.7Å; L290-F355 HydrophobicContact CD1-CZ 4.19Å; L290-F355 HydrophobicContact CD2-CD2 3.4Å; L290-F355 VanDerWaalsContact CD2-CD2 3.4Å; L290-F355 HydrophobicContact CD2-CE2 3.6Å; L290-F355 HydrophobicContact CD2-CG 4.1Å; L290-F355 HydrophobicContact CD2-CZ 4.43Å; L290-F355 HydrophobicContact CG-CE2 4.34Å; F294-F355 HydrophobicContact CZ-CB 4.31Å; I351-F355 VanDerWaalsContact O-CB 3.28Å; I351-F355 WeakPolarHBondContact O-CB 3.46Å; I351-F355 PolarHBondContact O-N 2.84Å; K352-F355 PolarHBondContact O-N 2.89Å; K353-F355 VanDerWaalsContact C-N 3.29Å; K353-F355 PolarHBondContact O-N 2.84Å; F355-D357 VanDerWaalsContact C-N 3.29Å; F355-D357 PolarHBondContact O-N 2.85Å; F355-C358 WeakPolarHBondContact O-CB 3.38Å; F355-C358 PolarHBondContact O-N 2.82Å; F355-F359 AromaticContact CD1-CE1 3.78Å; F355-F359 HydrophobicContact CD1-CE1 3.78Å; F355-F359 HydrophobicContact CD1-CZ 4.46Å; F355-F359 AromaticContact CE1-CE1 3.65Å; F355-F359 HydrophobicContact CE1-CE1 3.65Å; F355-F359 HydrophobicContact CE1-CZ 4.17Å; F355-F359 WeakPolarHBondContact O-CD1 3.23Å
356L94.4Very high94.5Very high45 Ų4554.6 Ų54.624%0.23629%0.287CS..Hα-helixtrans-65.3-31.1175.3-78.7170000113Y68 K352 K353 C358 F359 K365Y68-L356 HydrophobicContact CD1-CD2 3.66Å; Y68-L356 HydrophobicContact CE1-CD2 3.49Å; Y68-L356 VanDerWaalsContact CE1-CD2 3.49Å; Y68-L356 HydrophobicContact CE1-CG 3.97Å; K352-L356 PolarHBondContact O-N 2.73Å; K352-L356 VanDerWaalsContact O-N 3.15Å; K353-L356 PolarHBondContact O-N 3.46Å; L356-C358 VanDerWaalsContact C-N 3.25Å; L356-C358 PolarHBondContact O-N 2.81Å; L356-F359 HydrophobicContact CD2-CE2 4.44Å; L356-F359 HydrophobicContact CD2-CZ 4.39Å; L356-F359 WeakPolarHBondContact O-CB 3.41Å; L356-F359 PolarHBondContact O-N 3.08Å; L356-K365 HydrophobicContact CD2-CB 4.36Å
357D95Very high94.4Very high77 Ų7754.6 Ų54.641%0.41229%0.291SS..Hα-helixtrans-74.5-15.2177.7-69.1-22.9000113K353 N354 F355 F359K353-D357 PolarHBondContact O-N 3.21Å; K353-D357 VanDerWaalsContact O-N 3.16Å; N354-D357 PolarHBondContact O-N 3.46Å; F355-D357 VanDerWaalsContact C-N 3.29Å; F355-D357 PolarHBondContact O-N 2.85Å; D357-F359 VanDerWaalsContact C-N 3.31Å
358C97Very high94.3Very high4 Ų453.9 Ų53.93%0.02729%0.287CS..THydrogen-bonded Turntrans-82.2-7.1174.9-67.40000113.7F286 N289 L290 R293 N354 F355 L356F286-C358 HydrophobicContact CD2-CB 4.43Å; F286-C358 HydrophobicContact CE2-CB 4.33Å; N289-C358 HydrophobicContact CB-CB 3.79Å; N289-C358 WeakPolarHBondContact CB-O 3.31Å; N289-C358 PolarHBondContact ND2-O 3.28Å; N289-C358 PolarHBondContact O-SG 2.91Å; N289-C358 VanDerWaalsContact O-SG 3.38Å; L290-C358 HydrophobicContact CD2-CB 3.65Å; L290-C358 HydrophobicContact CG-CB 4Å; R293-C358 VanDerWaalsContact CB-SG 3.53Å; N354-C358 PolarHBondContact O-N 3.42Å; N354-C358 PolarHBondContact O-SG 3.07Å; F355-C358 WeakPolarHBondContact O-CB 3.38Å; F355-C358 PolarHBondContact O-N 2.82Å; L356-C358 VanDerWaalsContact C-N 3.25Å; L356-C358 PolarHBondContact O-N 2.81Å
359F96.9Very high94Very high17 Ų1755.6 Ų55.68%0.07529%0.294CS..  trans-67139.5-177.8-81.733.8000110.8Y68 Y256 F286 F355 L356 D357 M363 S364 K365Y68-F359 HydrophobicContact CD1-CE2 4.14Å; Y68-F359 AromaticContact CD1-CZ 3.66Å; Y68-F359 HydrophobicContact CD1-CZ 3.66Å; Y68-F359 HydrophobicContact CD2-CZ 4.28Å; Y68-F359 HydrophobicContact CE1-CZ 4.38Å; Y68-F359 HydrophobicContact CG-CE2 4.2Å; Y68-F359 AromaticContact CG-CZ 3.59Å; Y68-F359 HydrophobicContact CG-CZ 3.59Å; Y256-F359 HydrophobicContact CD2-CD2 4.44Å; Y256-F359 AromaticContact CD2-CE2 3.64Å; Y256-F359 HydrophobicContact CD2-CE2 3.64Å; Y256-F359 AromaticContact CD2-CZ 3.94Å; Y256-F359 HydrophobicContact CD2-CZ 3.94Å; Y256-F359 HydrophobicContact CE2-CD2 4.29Å; Y256-F359 AromaticContact CE2-CE2 3.79Å; Y256-F359 HydrophobicContact CE2-CE2 3.79Å; F286-F359 HydrophobicContact CD2-CD1 4.08Å; F286-F359 HydrophobicContact CD2-CE1 4.46Å; F286-F359 AromaticContact CE2-CD1 3.47Å; F286-F359 HydrophobicContact CE2-CD1 3.47Å; F286-F359 VanDerWaalsContact CE2-CD1 3.47Å; F286-F359 AromaticContact CE2-CE1 3.51Å; F286-F359 HydrophobicContact CE2-CE1 3.51Å; F286-F359 HydrophobicContact CZ-CD1 4.16Å; F286-F359 AromaticContact CZ-CE1 3.72Å; F286-F359 HydrophobicContact CZ-CE1 3.72Å; F355-F359 AromaticContact CD1-CE1 3.78Å; F355-F359 HydrophobicContact CD1-CE1 3.78Å; F355-F359 HydrophobicContact CD1-CZ 4.46Å; F355-F359 AromaticContact CE1-CE1 3.65Å; F355-F359 HydrophobicContact CE1-CE1 3.65Å; F355-F359 HydrophobicContact CE1-CZ 4.17Å; F355-F359 WeakPolarHBondContact O-CD1 3.23Å; L356-F359 HydrophobicContact CD2-CE2 4.44Å; L356-F359 HydrophobicContact CD2-CZ 4.39Å; L356-F359 WeakPolarHBondContact O-CB 3.41Å; L356-F359 PolarHBondContact O-N 3.08Å; D357-F359 VanDerWaalsContact C-N 3.31Å; F359-M363 HydrophobicContact CB-CB 4.03Å; F359-M363 HydrophobicContact CB-SD 4.32Å; F359-M363 HydrophobicContact CD1-CE 4.24Å; F359-M363 HydrophobicContact CD2-CB 3.67Å; F359-M363 HydrophobicContact CD2-CE 4.06Å; F359-M363 HydrophobicContact CE1-CE 4.3Å; F359-M363 HydrophobicContact CE2-CB 4.47Å; F359-M363 HydrophobicContact CE2-CE 4.12Å; F359-M363 HydrophobicContact CG-CB 4.12Å; F359-M363 HydrophobicContact CG-CE 4.11Å; F359-M363 HydrophobicContact CG-SD 4.29Å; F359-M363 HydrophobicContact CZ-CE 4.24Å; F359-S364 WeakPolarHBondContact CE2-O 3.28Å; F359-K365 HydrophobicContact CD2-CG 4.36Å
360T95.3Very high93.6Very high17 Ų1751.7 Ų51.710%0.10427%0.268CS..  trans-75.4167.217473.50000110.8D285 F286 E362 M363D285-T360 HydrophobicContact CB-CG2 3.95Å; F286-T360 HydrophobicContact CB-CG2 4.38Å; T360-E362 WeakPolarHBondContact CB-OE2 3.37Å; T360-E362 PolarHBondContact O-N 2.99Å; T360-E362 VanDerWaalsContact O-N 3.16Å; T360-E362 PolarHBondContact OG1-OE2 2.96Å; T360-M363 HydrophobicContact CG2-SD 4.33Å; T360-M363 PolarHBondContact O-N 3.48Å; T360-M363 WeakPolarHBondContact OG1-CG 3.48Å
361S94.8Very high92.8Very high119 Ų11957.3 Ų57.383%0.83229%0.293SS*.THydrogen-bonded Turntrans-62.3-22.4-17852.70000113.6M363S361-M363 VanDerWaalsContact C-N 3.32Å
362E95.3Very high91.8Very high83 Ų8361.7 Ų61.739%0.38831%0.314SS..THydrogen-bonded Turntrans-84.5-6.4178.8-49.884.9167.500113.2R281 I282 T360R281-E362 IonicContact CZ-OE1 3.6Å; R281-E362 IonicContact NH1-OE1 3.72Å; R281-E362 IonicContact NH2-OE1 2.68Å; R281-E362 PolarHBondContact NH2-OE1 3.38Å; R281-E362 IonicContact NH2-OE2 3.21Å; I282-E362 HydrophobicContact CD1-CB 4.05Å; I282-E362 HydrophobicContact CD1-CG 4.29Å; I282-E362 HydrophobicContact CG1-CB 4.47Å; T360-E362 WeakPolarHBondContact CB-OE2 3.37Å; T360-E362 PolarHBondContact O-N 2.99Å; T360-E362 VanDerWaalsContact O-N 3.16Å; T360-E362 PolarHBondContact OG1-OE2 2.96Å
363M97.1Very high91.1Very high15 Ų1560 Ų607%0.07431%0.306CS..SBendtrans-97.9132.4-175.1-65.1175.376.400112.3Y256 I282 F286 F359 T360 S361Y256-M363 HydrophobicContact CD1-CE 3.68Å; Y256-M363 HydrophobicContact CD2-CE 3.29Å; Y256-M363 HydrophobicContact CE1-CE 3.96Å; Y256-M363 HydrophobicContact CE1-CG 4.14Å; Y256-M363 HydrophobicContact CE2-CB 3.8Å; Y256-M363 HydrophobicContact CE2-CE 3.62Å; Y256-M363 HydrophobicContact CE2-CG 4.13Å; Y256-M363 HydrophobicContact CG-CE 3.33Å; Y256-M363 VanDerWaalsContact OH-CA 3.25Å; Y256-M363 WeakPolarHBondContact OH-CA 3.5Å; I282-M363 HydrophobicContact CG2-CG 3.97Å; I282-M363 HydrophobicContact CG2-SD 4.16Å; F286-M363 HydrophobicContact CB-CE 4.37Å; F286-M363 HydrophobicContact CB-SD 3.87Å; F286-M363 HydrophobicContact CD1-CE 3.86Å; F286-M363 HydrophobicContact CD1-SD 4.46Å; F286-M363 HydrophobicContact CD2-CE 3.99Å; F286-M363 HydrophobicContact CD2-SD 4.06Å; F286-M363 HydrophobicContact CE1-CE 4.07Å; F286-M363 HydrophobicContact CE2-CE 4.21Å; F286-M363 HydrophobicContact CG-CE 3.8Å; F286-M363 HydrophobicContact CG-SD 3.88Å; F286-M363 HydrophobicContact CZ-CE 4.22Å; F359-M363 HydrophobicContact CB-CB 4.03Å; F359-M363 HydrophobicContact CB-SD 4.32Å; F359-M363 HydrophobicContact CD1-CE 4.24Å; F359-M363 HydrophobicContact CD2-CB 3.67Å; F359-M363 HydrophobicContact CD2-CE 4.06Å; F359-M363 HydrophobicContact CE1-CE 4.3Å; F359-M363 HydrophobicContact CE2-CB 4.47Å; F359-M363 HydrophobicContact CE2-CE 4.12Å; F359-M363 HydrophobicContact CG-CB 4.12Å; F359-M363 HydrophobicContact CG-CE 4.11Å; F359-M363 HydrophobicContact CG-SD 4.29Å; F359-M363 HydrophobicContact CZ-CE 4.24Å; T360-M363 HydrophobicContact CG2-SD 4.33Å; T360-M363 PolarHBondContact O-N 3.48Å; T360-M363 WeakPolarHBondContact OG1-CG 3.48Å; S361-M363 VanDerWaalsContact C-N 3.32Å
364S93.7Very high90.6Very high37 Ų3758 Ų5826%0.25930%0.299SS..  trans-77.1132174.2170.90000110.6Y256 F359 Q366Y256-S364 PolarHBondContact OH-N 3.32Å; F359-S364 WeakPolarHBondContact CE2-O 3.28Å; S364-Q366 VanDerWaalsContact C-N 3.26Å; S364-Q366 PolarHBondContact O-N 2.73Å; S364-Q366 PolarHBondContact OG-N 2.74Å
365K90.9Very high90.2Very high125 Ų12560 Ų6054%0.54331%0.309SS..  trans-82.84.3179-64-170.7176.1-169.20114.1L356 F359 C367L356-K365 HydrophobicContact CD2-CB 4.36Å; F359-K365 HydrophobicContact CD2-CG 4.36Å; K365-C367 PolarHBondContact O-N 2.84Å
366Q91.4Very high90Very high110 Ų11067.4 Ų67.451%0.51434%0.342SS..  trans-58.8133.3172.4-72.5-176.2-14.100109.7Y68 G69 V71 S364Y68-Q366 CarbonylContact C-O 3.56Å; Y68-Q366 WeakPolarHBondContact CA-O 3.02Å; G69-Q366 PolarHBondContact N-O 2.65Å; G69-Q366 WeakPolarHBondContact O-CB 3.26Å; G69-Q366 PolarHBondContact O-OE1 3.36Å; V71-Q366 HydrophobicContact CG2-CB 4.33Å; S364-Q366 VanDerWaalsContact C-N 3.26Å; S364-Q366 PolarHBondContact O-N 2.73Å; S364-Q366 PolarHBondContact OG-N 2.74Å
367C90.5Very high89.6Confident59 Ų5968.3 Ų68.340%0.39935%0.347SS..EExtended strand (participates in β ladder)trans-131.9140.3-176.3-179.20000109.8V67 Y68 K365V67-C367 CarbonylContact O-C 3.53Å; V67-C367 WeakPolarHBondContact O-CA 3.33Å; Y68-C367 HydrophobicContact CD1-CB 3.6Å; Y68-C367 HydrophobicContact CE1-CB 3.61Å; Y68-C367 WeakPolarHBondContact CE1-SG 3.46Å; K365-C367 PolarHBondContact O-N 2.84Å
368L90.1Very high89.5Confident50 Ų5064.8 Ų64.826%0.26233%0.328SS..EExtended strand (participates in β ladder)trans-135.3115.2172.5177.370000107.7V67 V71 I74 L370V67-L368 PolarHBondContact N-O 2.74Å; V67-L368 PolarHBondContact O-N 3.3Å; V71-L368 HydrophobicContact CB-CB 3.8Å; V71-L368 HydrophobicContact CB-CD2 4.29Å; V71-L368 HydrophobicContact CG1-CB 3.65Å; I74-L368 HydrophobicContact CD1-CD2 3.58Å; I74-L368 HydrophobicContact CG1-CD2 4.13Å; I74-L368 HydrophobicContact CG2-CD2 4.11Å; L368-L370 HydrophobicContact CD2-CD2 3.75Å; L368-L370 HydrophobicContact CG-CD2 4.24Å; L368-L370 PolarHBondContact O-N 3.45Å
369E88.1Confident89.2Confident79 Ų7966.5 Ų66.537%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-73117.5163.1-176.6165168.200107.1K64 Y66 K352K64-E369 WeakPolarHBondContact CD-OE1 3.25Å; K64-E369 WeakPolarHBondContact CE-OE1 3.24Å; K64-E369 IonicContact NZ-OE1 3.65Å; K64-E369 PolarHBondContact NZ-OE1 2.7Å; Y66-E369 HydrophobicContact CD1-CB 4.17Å; Y66-E369 HydrophobicContact CD1-CG 3.94Å; Y66-E369 HydrophobicContact CE1-CG 3.89Å; K352-E369 IonicContact NZ-OE2 2.65Å; K352-E369 PolarHBondContact NZ-OE2 2.76Å
370L85.4Confident89.1Confident11 Ų1168.8 Ų68.86%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-72136.5174.5-65.3179.1000108.4I65 V67 I74 Y102 L368I65-L370 HydrophobicContact CB-CB 4.26Å; I65-L370 HydrophobicContact CB-CD1 4.19Å; I65-L370 HydrophobicContact CD1-CD1 4.47Å; I65-L370 HydrophobicContact CG2-CD1 3.81Å; I65-L370 HydrophobicContact CG2-CG 4.49Å; I65-L370 PolarHBondContact O-N 3.38Å; V67-L370 HydrophobicContact CG2-CD1 3.5Å; V67-L370 HydrophobicContact CG2-CD2 4.26Å; V67-L370 HydrophobicContact CG2-CG 3.7Å; I74-L370 HydrophobicContact CG2-CD2 3.97Å; Y102-L370 HydrophobicContact CD2-CD1 4.44Å; Y102-L370 HydrophobicContact CE1-CD2 4.33Å; Y102-L370 HydrophobicContact CE2-CD1 3.73Å; L368-L370 HydrophobicContact CD2-CD2 3.75Å; L368-L370 HydrophobicContact CG-CD2 4.24Å; L368-L370 PolarHBondContact O-N 3.45Å
371E78Confident89Confident142 Ų14270.6 Ų70.666%0.66436%0.358SS*.PPolyproline II helixtrans-57142.2169.5-67-175.3-174.500109.4Y102 F373 H374Y102-E371 PolarHBondContact OH-O 3.41Å; E371-F373 PolarHBondContact O-N 2.91Å; E371-H374 IonicContact OE2-CE1 3.79Å; E371-H374 IonicContact OE2-NE2 3.73Å
372Q74.6Confident88.9Confident91 Ų9165 Ų6543%0.42532%0.32SS..PPolyproline II helixtrans-59.3136171.7-174.3176.14.700108.1H374Q372-H374 PolarHBondContact O-N 2.84Å
373F79.8Confident88.9Confident15 Ų1566 Ų667%0.06633%0.327CS..  trans-44.7131.6174.2-74.8-51.9000112Y59 I65 M98 Y102 E371 F378Y59-F373 HydrophobicContact CD2-CB 4.25Å; Y59-F373 WeakPolarHBondContact CD2-O 3.36Å; Y59-F373 WeakPolarHBondContact CE2-O 3.26Å; I65-F373 HydrophobicContact CD1-CE2 4.13Å; M98-F373 HydrophobicContact CB-CZ 4.37Å; M98-F373 HydrophobicContact CG-CE1 4.5Å; M98-F373 HydrophobicContact CG-CE2 3.34Å; M98-F373 HydrophobicContact CG-CZ 3.19Å; M98-F373 HydrophobicContact SD-CE2 3.76Å; M98-F373 HydrophobicContact SD-CZ 4.15Å; Y102-F373 AromaticContact CE2-CE1 3.71Å; Y102-F373 HydrophobicContact CE2-CE1 3.71Å; Y102-F373 AromaticContact CE2-CZ 3.82Å; Y102-F373 HydrophobicContact CE2-CZ 3.82Å; Y102-F373 AromaticContact CZ-CE1 3.71Å; Y102-F373 WeakPolarHBondContact OH-CE1 3.46Å; E371-F373 PolarHBondContact O-N 2.91Å; F373-F378 HydrophobicContact CB-CD2 4.06Å; F373-F378 HydrophobicContact CB-CE2 3.54Å; F373-F378 HydrophobicContact CD1-CD2 4.41Å; F373-F378 AromaticContact CD1-CE2 3.2Å; F373-F378 HydrophobicContact CD1-CE2 3.2Å; F373-F378 AromaticContact CD1-CZ 3.47Å; F373-F378 HydrophobicContact CD1-CZ 3.47Å; F373-F378 VanDerWaalsContact CD1-CZ 3.47Å; F373-F378 HydrophobicContact CD2-CE2 4.23Å; F373-F378 AromaticContact CE1-CE2 3.92Å; F373-F378 HydrophobicContact CE1-CE2 3.92Å; F373-F378 AromaticContact CE1-CZ 3.68Å; F373-F378 HydrophobicContact CE1-CZ 3.68Å; F373-F378 HydrophobicContact CG-CD2 4.26Å; F373-F378 AromaticContact CG-CE2 3.38Å; F373-F378 HydrophobicContact CG-CE2 3.38Å; F373-F378 AromaticContact CG-CZ 3.98Å; F373-F378 HydrophobicContact CG-CZ 3.98Å; F373-F378 HydrophobicContact CZ-CZ 4.38Å
374H83.8Confident88.7Confident103 Ų10369.1 Ų69.148%0.47734%0.343SS..  trans-74.8141174.9-54.2-67000108.8E371 Q372 F376 D377E371-H374 IonicContact OE2-CE1 3.79Å; E371-H374 IonicContact OE2-NE2 3.73Å; Q372-H374 PolarHBondContact O-N 2.84Å; H374-F376 PolarHBondContact O-N 3.44Å; H374-F376 VanDerWaalsContact O-N 3.16Å; H374-D377 WeakPolarHBondContact CB-OD2 3.33Å; H374-D377 IonicContact CD2-OD2 3.4Å; H374-D377 PolarHBondContact CD2-OD2 3.33Å; H374-D377 IonicContact CG-OD2 3.72Å; H374-D377 PolarHBondContact N-OD2 2.9Å; H374-D377 VanDerWaalsContact N-OD2 3.1Å; H374-D377 WeakPolarHBondContact O-CB 3.26Å; H374-D377 PolarHBondContact O-N 3.02Å
375L87.3Confident88.7Confident58 Ų5867.4 Ų67.430%0.30433%0.331SS..Hα-helixtrans-50.7-44.7-179177.263.9000111.7F55 Y59 D377 F378 L379F55-L375 HydrophobicContact CE2-CD1 3.71Å; Y59-L375 HydrophobicContact CD1-CD1 4.07Å; Y59-L375 HydrophobicContact CE1-CD1 3.37Å; Y59-L375 HydrophobicContact CE2-CB 3.96Å; Y59-L375 HydrophobicContact CE2-CD1 4.3Å; L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 2.88Å; L375-F378 PolarHBondContact O-N 3.32Å; L375-L379 HydrophobicContact CD1-CB 4.06Å; L375-L379 HydrophobicContact CD1-CD1 4.48Å; L375-L379 HydrophobicContact CD1-CD2 4.05Å; L375-L379 HydrophobicContact CD1-CG 4.42Å; L375-L379 HydrophobicContact CD2-CD2 4.07Å; L375-L379 HydrophobicContact CG-CB 4.17Å; L375-L379 HydrophobicContact CG-CD2 3.85Å; L375-L379 WeakPolarHBondContact O-CB 3.22Å; L375-L379 PolarHBondContact O-N 3.36Å
376F89.8Confident88.9Confident158 Ų15862.5 Ų62.569%0.69331%0.309SS*.Hα-helixtrans-74.6-10.9-176.4-66.3-71000114.7H374 F378 L379 P380H374-F376 PolarHBondContact O-N 3.44Å; H374-F376 VanDerWaalsContact O-N 3.16Å; F376-F378 PolarHBondContact O-N 3.49Å; F376-L379 HydrophobicContact CE1-CD2 4.46Å; F376-P380 WeakPolarHBondContact O-CD 3.37Å
377D87.7Confident89.1Confident64 Ų6459 Ų5934%0.34230%0.303SS..Hα-helixtrans-69.1-24.7175.2-64.4-26000112.1R51 H374 L375 Y381R51-D377 PolarHBondContact NH1-O 3.13Å; H374-D377 WeakPolarHBondContact CB-OD2 3.33Å; H374-D377 IonicContact CD2-OD2 3.4Å; H374-D377 PolarHBondContact CD2-OD2 3.33Å; H374-D377 IonicContact CG-OD2 3.72Å; H374-D377 PolarHBondContact N-OD2 2.9Å; H374-D377 VanDerWaalsContact N-OD2 3.1Å; H374-D377 WeakPolarHBondContact O-CB 3.26Å; H374-D377 PolarHBondContact O-N 3.02Å; L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 2.88Å; D377-Y381 WeakPolarHBondContact O-CE2 3.38Å
378F91.2Very high89.3Confident4 Ų459.2 Ų59.22%0.01830%0.3CS..Hα-helixtrans-130.6-29.4-173.6-52.8-76.1000114.3R51 L54 F55 F373 L375 F376 P380 Y381 A382R51-F378 HydrophobicContact CB-CD1 3.94Å; R51-F378 HydrophobicContact CG-CD1 4.05Å; R51-F378 HydrophobicContact CG-CE1 4.28Å; R51-F378 WeakPolarHBondContact O-CD1 3.47Å; L54-F378 HydrophobicContact CB-CD1 3.74Å; L54-F378 HydrophobicContact CB-CE1 3.68Å; L54-F378 HydrophobicContact CB-CG 4.38Å; L54-F378 HydrophobicContact CB-CZ 4.32Å; L54-F378 HydrophobicContact CD1-CD1 4.46Å; L54-F378 HydrophobicContact CD1-CE1 3.7Å; L54-F378 HydrophobicContact CD1-CZ 4.32Å; L54-F378 HydrophobicContact CG-CE1 4.36Å; F55-F378 HydrophobicContact CB-CB 3.63Å; F55-F378 HydrophobicContact CD2-CB 4.2Å; F55-F378 HydrophobicContact CG-CB 4.38Å; F373-F378 HydrophobicContact CB-CD2 4.06Å; F373-F378 HydrophobicContact CB-CE2 3.54Å; F373-F378 HydrophobicContact CD1-CD2 4.41Å; F373-F378 AromaticContact CD1-CE2 3.2Å; F373-F378 HydrophobicContact CD1-CE2 3.2Å; F373-F378 AromaticContact CD1-CZ 3.47Å; F373-F378 HydrophobicContact CD1-CZ 3.47Å; F373-F378 VanDerWaalsContact CD1-CZ 3.47Å; F373-F378 HydrophobicContact CD2-CE2 4.23Å; F373-F378 AromaticContact CE1-CE2 3.92Å; F373-F378 HydrophobicContact CE1-CE2 3.92Å; F373-F378 AromaticContact CE1-CZ 3.68Å; F373-F378 HydrophobicContact CE1-CZ 3.68Å; F373-F378 HydrophobicContact CG-CD2 4.26Å; F373-F378 AromaticContact CG-CE2 3.38Å; F373-F378 HydrophobicContact CG-CE2 3.38Å; F373-F378 AromaticContact CG-CZ 3.98Å; F373-F378 HydrophobicContact CG-CZ 3.98Å; F373-F378 HydrophobicContact CZ-CZ 4.38Å; L375-F378 PolarHBondContact O-N 3.32Å; F376-F378 PolarHBondContact O-N 3.49Å; F378-P380 VanDerWaalsContact C-CD 3.49Å; F378-Y381 PolarHBondContact O-N 3.12Å; F378-Y381 VanDerWaalsContact O-N 3.17Å; F378-A382 PolarHBondContact O-N 3.24Å
379L92.2Very high89.6Confident39 Ų3957.1 Ų57.120%0.20429%0.289CS..Hα-helixtrans-55.2-43.4-176.9177.967.4000113.8F55 L375 F376 Y381 A382 I383F55-L379 HydrophobicContact CD2-CB 4.37Å; F55-L379 HydrophobicContact CE1-CD1 4.27Å; F55-L379 HydrophobicContact CE2-CB 4.09Å; F55-L379 HydrophobicContact CE2-CD1 3.77Å; F55-L379 HydrophobicContact CZ-CD1 3.58Å; L375-L379 HydrophobicContact CD1-CB 4.06Å; L375-L379 HydrophobicContact CD1-CD1 4.48Å; L375-L379 HydrophobicContact CD1-CD2 4.05Å; L375-L379 HydrophobicContact CD1-CG 4.42Å; L375-L379 HydrophobicContact CD2-CD2 4.07Å; L375-L379 HydrophobicContact CG-CB 4.17Å; L375-L379 HydrophobicContact CG-CD2 3.85Å; L375-L379 WeakPolarHBondContact O-CB 3.22Å; L375-L379 PolarHBondContact O-N 3.36Å; F376-L379 HydrophobicContact CE1-CD2 4.46Å; L379-Y381 PolarHBondContact O-N 3.36Å; L379-A382 PolarHBondContact O-N 3.23Å; L379-A382 VanDerWaalsContact O-N 3.13Å; L379-I383 HydrophobicContact CD1-CD1 3.98Å; L379-I383 HydrophobicContact CD1-CG1 3.98Å; L379-I383 HydrophobicContact CD2-CD1 4.14Å; L379-I383 HydrophobicContact CG-CD1 3.7Å; L379-I383 HydrophobicContact CG-CG1 4.14Å; L379-I383 WeakPolarHBondContact O-CG1 3.21Å; L379-I383 PolarHBondContact O-N 3.37Å
380P94.8Very high89.9Confident65 Ų6557.3 Ų57.342%0.42229%0.292SS..Hα-helixtrans-57.7-34.6-180-26.736.1000113.4F376 F378 L384F376-P380 WeakPolarHBondContact O-CD 3.37Å; F378-P380 VanDerWaalsContact C-CD 3.49Å; P380-L384 WeakPolarHBondContact O-CB 3.45Å; P380-L384 PolarHBondContact O-N 3.35Å
381Y93.6Very high90.4Very high55 Ų5563.7 Ų63.722%0.21632%0.316CS..Hα-helixtrans-72.3-41.4178.9-54.2-82.8000111.4F48 R51 T52 D377 F378 L379 L384 F385F48-Y381 HydrophobicContact CB-CD1 3.9Å; F48-Y381 AromaticContact CD1-CD1 3.58Å; F48-Y381 HydrophobicContact CD1-CD1 3.58Å; F48-Y381 AromaticContact CD1-CE1 3.36Å; F48-Y381 HydrophobicContact CD1-CE1 3.36Å; F48-Y381 HydrophobicContact CD2-CD1 4.13Å; F48-Y381 HydrophobicContact CD2-CE1 4.42Å; F48-Y381 HydrophobicContact CE1-CD1 4.07Å; F48-Y381 AromaticContact CE1-CE1 3.45Å; F48-Y381 HydrophobicContact CE1-CE1 3.45Å; F48-Y381 VanDerWaalsContact CE1-CE1 3.45Å; F48-Y381 HydrophobicContact CE2-CE1 4.48Å; F48-Y381 AromaticContact CG-CD1 3.61Å; F48-Y381 HydrophobicContact CG-CD1 3.61Å; F48-Y381 AromaticContact CG-CE1 3.89Å; F48-Y381 HydrophobicContact CG-CE1 3.89Å; F48-Y381 HydrophobicContact CZ-CE1 4.02Å; R51-Y381 HydrophobicContact CB-CD1 4.35Å; R51-Y381 HydrophobicContact CB-CD2 3.74Å; R51-Y381 HydrophobicContact CB-CE2 4.32Å; R51-Y381 HydrophobicContact CB-CG 3.75Å; R51-Y381 HydrophobicContact CG-CD2 4.28Å; R51-Y381 HydrophobicContact CG-CE2 4.36Å; T52-Y381 PolarHBondContact OG1-O 3.45Å; D377-Y381 WeakPolarHBondContact O-CE2 3.38Å; F378-Y381 PolarHBondContact O-N 3.12Å; F378-Y381 VanDerWaalsContact O-N 3.17Å; L379-Y381 PolarHBondContact O-N 3.36Å; Y381-L384 PolarHBondContact O-N 3.45Å; Y381-F385 WeakPolarHBondContact O-CD2 3.22Å; Y381-F385 PolarHBondContact O-N 2.85Å
382A92.7Very high91.2Very high3 Ų358.9 Ų58.93%0.02529%0.292CS..Hα-helixtrans-62.7-45.4173.700000111.1T52 F55 F378 L379 L384 F385 Y386T52-A382 HydrophobicContact CG2-CB 4.13Å; F55-A382 HydrophobicContact CB-CB 4.24Å; F55-A382 HydrophobicContact CD1-CB 3.37Å; F55-A382 HydrophobicContact CE1-CB 3.86Å; F55-A382 HydrophobicContact CG-CB 3.9Å; F378-A382 PolarHBondContact O-N 3.24Å; L379-A382 PolarHBondContact O-N 3.23Å; L379-A382 VanDerWaalsContact O-N 3.13Å; A382-L384 VanDerWaalsContact C-N 3.31Å; A382-L384 PolarHBondContact O-N 3.14Å; A382-F385 PolarHBondContact O-N 3.42Å; A382-Y386 HydrophobicContact CB-CD2 4.46Å; A382-Y386 WeakPolarHBondContact O-CB 3.36Å; A382-Y386 VanDerWaalsContact O-CD2 3.3Å; A382-Y386 WeakPolarHBondContact O-CD2 3.34Å; A382-Y386 PolarHBondContact O-N 3.27Å
383I93.7Very high92.2Very high104 Ų10456.7 Ų56.753%0.53328%0.283SS..Hα-helixtrans-58.8-43.7175.4-68.7172.7000110.8L379 G387L379-I383 HydrophobicContact CD1-CD1 3.98Å; L379-I383 HydrophobicContact CD1-CG1 3.98Å; L379-I383 HydrophobicContact CD2-CD1 4.14Å; L379-I383 HydrophobicContact CG-CD1 3.7Å; L379-I383 HydrophobicContact CG-CG1 4.14Å; L379-I383 WeakPolarHBondContact O-CG1 3.21Å; L379-I383 PolarHBondContact O-N 3.37Å; I383-G387 VanDerWaalsContact O-CA 3.28Å; I383-G387 WeakPolarHBondContact O-CA 3.38Å; I383-G387 PolarHBondContact O-N 3.18Å
384L94Very high92.8Very high79 Ų7961.8 Ų61.841%0.41431%0.309SS..Hα-helixtrans-59.5-54.3178.5-179.867.4000111.4F48 P380 Y381 A382 I388F48-L384 HydrophobicContact CD2-CD2 3.93Å; F48-L384 HydrophobicContact CE2-CD2 4.16Å; P380-L384 WeakPolarHBondContact O-CB 3.45Å; P380-L384 PolarHBondContact O-N 3.35Å; Y381-L384 PolarHBondContact O-N 3.45Å; A382-L384 VanDerWaalsContact C-N 3.31Å; A382-L384 PolarHBondContact O-N 3.14Å; L384-I388 HydrophobicContact CD1-CD1 3.83Å; L384-I388 HydrophobicContact CD1-CG1 4.46Å; L384-I388 HydrophobicContact CG-CD1 4Å; L384-I388 WeakPolarHBondContact O-CB 3.41Å; L384-I388 WeakPolarHBondContact O-CD1 3.49Å; L384-I388 WeakPolarHBondContact O-CG1 3.39Å; L384-I388 PolarHBondContact O-N 2.82Å
385F94.2Very high93.3Very high2 Ų258.8 Ų58.81%0.00931%0.307CS..Hα-helixtrans-66.1-50.7-177.8-86.9-76000112.4L16 T19 I20 L23 L45 F48 F49 T52 Y381 A382 G387 I388 T389L16-F385 HydrophobicContact CD1-CB 4.04Å; L16-F385 HydrophobicContact CD2-CB 4.2Å; T19-F385 HydrophobicContact CG2-CD1 4.27Å; I20-F385 HydrophobicContact CG1-CD1 4.32Å; I20-F385 HydrophobicContact CG1-CE1 3.67Å; I20-F385 HydrophobicContact CG1-CZ 4.36Å; L23-F385 HydrophobicContact CD1-CD1 4.43Å; L23-F385 HydrophobicContact CD1-CE1 3.81Å; L23-F385 HydrophobicContact CD1-CZ 4.45Å; L45-F385 HydrophobicContact CD1-CE1 4.34Å; L45-F385 HydrophobicContact CD1-CZ 3.92Å; F48-F385 HydrophobicContact CB-CE2 3.7Å; F48-F385 HydrophobicContact CB-CZ 4.32Å; F49-F385 HydrophobicContact CB-CE2 4.33Å; F49-F385 HydrophobicContact CB-CZ 4.13Å; T52-F385 VanDerWaalsContact OG1-CD2 3.27Å; T52-F385 WeakPolarHBondContact OG1-CD2 3.34Å; Y381-F385 WeakPolarHBondContact O-CD2 3.22Å; Y381-F385 PolarHBondContact O-N 2.85Å; A382-F385 PolarHBondContact O-N 3.42Å; F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 2.78Å; F385-I388 PolarHBondContact O-N 3.08Å; F385-T389 WeakPolarHBondContact O-CB 2.88Å; F385-T389 PolarHBondContact O-N 2.9Å; F385-T389 PolarHBondContact O-OG1 3.21Å
386Y94Very high93.5Very high21 Ų2161.2 Ų61.28%0.08232%0.315CS..Hα-helixtrans-63.5-38.6178.6-81.6-78.3000111.7F9 T12 I13 L16 T52 I56 A382 T389 I390F9-Y386 HydrophobicContact CD1-CD2 4.19Å; F9-Y386 HydrophobicContact CD1-CE1 4.05Å; F9-Y386 AromaticContact CD1-CE2 3.59Å; F9-Y386 HydrophobicContact CD1-CE2 3.59Å; F9-Y386 AromaticContact CD1-CZ 3.52Å; F9-Y386 HydrophobicContact CE1-CD1 4.41Å; F9-Y386 HydrophobicContact CE1-CD2 4.02Å; F9-Y386 HydrophobicContact CE1-CE1 4.31Å; F9-Y386 AromaticContact CE1-CE2 3.91Å; F9-Y386 HydrophobicContact CE1-CE2 3.91Å; F9-Y386 HydrophobicContact CE1-CG 4.28Å; F9-Y386 PolarHBondContact O-OH 2.86Å; F9-Y386 VanDerWaalsContact O-OH 3.05Å; T12-Y386 WeakPolarHBondContact OG1-CE1 3.12Å; T12-Y386 PolarHBondContact OG1-OH 3.48Å; I13-Y386 PolarHBondContact N-OH 2.85Å; L16-Y386 HydrophobicContact CD1-CD2 4.38Å; L16-Y386 HydrophobicContact CD1-CE2 3.91Å; L16-Y386 HydrophobicContact CD2-CD1 3.99Å; L16-Y386 HydrophobicContact CD2-CD2 4.41Å; L16-Y386 HydrophobicContact CD2-CE1 4Å; L16-Y386 HydrophobicContact CD2-CE2 4.43Å; L16-Y386 HydrophobicContact CD2-CG 4.19Å; T52-Y386 HydrophobicContact CG2-CE2 4.35Å; I56-Y386 HydrophobicContact CD1-CE2 4.24Å; A382-Y386 HydrophobicContact CB-CD2 4.46Å; A382-Y386 WeakPolarHBondContact O-CB 3.36Å; A382-Y386 VanDerWaalsContact O-CD2 3.3Å; A382-Y386 WeakPolarHBondContact O-CD2 3.34Å; A382-Y386 PolarHBondContact O-N 3.27Å; Y386-T389 PolarHBondContact O-N 3.27Å; Y386-I390 VanDerWaalsContact O-CB 3.23Å; Y386-I390 WeakPolarHBondContact O-CB 3.39Å; Y386-I390 WeakPolarHBondContact O-CD1 3.27Å; Y386-I390 WeakPolarHBondContact O-CG1 3.3Å; Y386-I390 PolarHBondContact O-N 3.08Å
387G95.1Very high93.7Very high38 Ų3855.7 Ų55.739%0.39230%0.302SS..Hα-helixtrans-61-48.2176.200000112.3I383 F385 Y391I383-G387 VanDerWaalsContact O-CA 3.28Å; I383-G387 WeakPolarHBondContact O-CA 3.38Å; I383-G387 PolarHBondContact O-N 3.18Å; F385-G387 VanDerWaalsContact C-N 3.31Å; F385-G387 PolarHBondContact O-N 2.78Å; G387-Y391 WeakPolarHBondContact O-CB 3.36Å; G387-Y391 PolarHBondContact O-N 3.22Å
388I95.3Very high94Very high62 Ų6261 Ų6132%0.31832%0.318SS..Hα-helixtrans-61.6-47.6175.7-67.3165.8000110.5T19 L23 L384 F385 Y391 W392T19-I388 HydrophobicContact CG2-CB 4.14Å; T19-I388 HydrophobicContact CG2-CG2 3.55Å; L23-I388 HydrophobicContact CD1-CD1 4.5Å; L384-I388 HydrophobicContact CD1-CD1 3.83Å; L384-I388 HydrophobicContact CD1-CG1 4.46Å; L384-I388 HydrophobicContact CG-CD1 4Å; L384-I388 WeakPolarHBondContact O-CB 3.41Å; L384-I388 WeakPolarHBondContact O-CD1 3.49Å; L384-I388 WeakPolarHBondContact O-CG1 3.39Å; L384-I388 PolarHBondContact O-N 2.82Å; F385-I388 PolarHBondContact O-N 3.08Å; I388-Y391 PolarHBondContact O-N 3.08Å; I388-W392 VanDerWaalsContact O-CB 3.28Å; I388-W392 WeakPolarHBondContact O-CB 3.37Å; I388-W392 PolarHBondContact O-N 3.32Å
389T95.5Very high94.2Very high6 Ų669.8 Ų69.84%0.03735%0.352CS..Hα-helixtrans-63.9-45.9-178.5-57.40000111.9F15 L16 T19 F385 Y386 W392 I393 Y404F15-T389 WeakPolarHBondContact O-CG2 3.48Å; L16-T389 HydrophobicContact CD2-CG2 4.38Å; L16-T389 WeakPolarHBondContact CD2-OG1 3.42Å; T19-T389 WeakPolarHBondContact CB-OG1 3.44Å; T19-T389 PolarHBondContact OG1-OG1 3.3Å; F385-T389 WeakPolarHBondContact O-CB 2.88Å; F385-T389 PolarHBondContact O-N 2.9Å; F385-T389 PolarHBondContact O-OG1 3.21Å; Y386-T389 PolarHBondContact O-N 3.27Å; T389-W392 PolarHBondContact O-N 3.44Å; T389-I393 HydrophobicContact CG2-CD1 3.85Å; T389-I393 VanDerWaalsContact O-CG1 3.29Å; T389-I393 WeakPolarHBondContact O-CG1 3.3Å; T389-I393 PolarHBondContact O-N 2.94Å; T389-Y404 HydrophobicContact CG2-CE2 4.06Å
390I94.4Very high94.4Very high84 Ų8468 Ų6843%0.43134%0.342SS..Hα-helixtrans-65.5-45.1179.2-69.1166.2000110.4Y386 W392 I393 I394Y386-I390 VanDerWaalsContact O-CB 3.23Å; Y386-I390 WeakPolarHBondContact O-CB 3.39Å; Y386-I390 WeakPolarHBondContact O-CD1 3.27Å; Y386-I390 WeakPolarHBondContact O-CG1 3.3Å; Y386-I390 PolarHBondContact O-N 3.08Å; I390-W392 VanDerWaalsContact C-N 3.31Å; I390-W392 PolarHBondContact O-N 3.07Å; I390-I393 PolarHBondContact O-N 2.86Å; I390-I394 HydrophobicContact CG2-CD1 3.88Å; I390-I394 HydrophobicContact CG2-CG1 4.49Å; I390-I394 WeakPolarHBondContact O-CB 3.46Å; I390-I394 PolarHBondContact O-N 3.28Å
391Y95.8Very high94.4Very high145 Ų14568 Ų6857%0.56934%0.338SS*.Hα-helixtrans-63.1-38.6176.6-177.8-100.2000111.8G387 I388 G395 F396G387-Y391 WeakPolarHBondContact O-CB 3.36Å; G387-Y391 PolarHBondContact O-N 3.22Å; I388-Y391 PolarHBondContact O-N 3.08Å; Y391-G395 WeakPolarHBondContact O-CA 3.19Å; Y391-G395 PolarHBondContact O-N 2.91Å; Y391-F396 HydrophobicContact CD1-CE2 4.26Å; Y391-F396 AromaticContact CE1-CE2 3.83Å; Y391-F396 HydrophobicContact CE1-CE2 3.83Å; Y391-F396 AromaticContact CE1-CZ 3.88Å; Y391-F396 HydrophobicContact CE1-CZ 3.88Å
392W96.1Very high94.5Very high40 Ų4069 Ų6915%0.15235%0.346CS..Hα-helixtrans-63.5-47175-177.410.2000111.5P18 M22 I388 T389 I390 G400 S403 Y404 A407P18-W392 HydrophobicContact CB-CH2 4.15Å; P18-W392 HydrophobicContact CB-CZ3 4.07Å; M22-W392 HydrophobicContact CB-CH2 4.45Å; M22-W392 HydrophobicContact CB-CZ3 4.44Å; M22-W392 HydrophobicContact CG-CH2 3.4Å; M22-W392 VanDerWaalsContact CG-CH2 3.4Å; M22-W392 HydrophobicContact CG-CZ2 4.23Å; M22-W392 HydrophobicContact CG-CZ3 3.82Å; I388-W392 VanDerWaalsContact O-CB 3.28Å; I388-W392 WeakPolarHBondContact O-CB 3.37Å; I388-W392 PolarHBondContact O-N 3.32Å; T389-W392 PolarHBondContact O-N 3.44Å; I390-W392 VanDerWaalsContact C-N 3.31Å; I390-W392 PolarHBondContact O-N 3.07Å; W392-G400 CarbonylContact O-C 3.58Å; W392-G400 WeakPolarHBondContact O-CA 3.47Å; W392-S403 PolarHBondContact NE1-OG 3.13Å; W392-Y404 HydrophobicContact CD2-CD2 4.05Å; W392-Y404 AromaticContact CE3-CD2 3.74Å; W392-Y404 HydrophobicContact CE3-CD2 3.74Å; W392-Y404 HydrophobicContact CH2-CD2 4.22Å; W392-Y404 AromaticContact CZ3-CD2 3.83Å; W392-Y404 HydrophobicContact CZ3-CD2 3.83Å; W392-Y404 HydrophobicContact CZ3-CE2 4.48Å; W392-A407 HydrophobicContact CH2-CB 3.57Å; W392-A407 HydrophobicContact CZ2-CB 3.81Å
393I94.5Very high94.7Very high46 Ų4671.3 Ų71.324%0.23636%0.362CS..Hα-helixtrans-66.9-45.7-178.4-67.9170000111.4T389 I390 G400 I401 Y404T389-I393 HydrophobicContact CG2-CD1 3.85Å; T389-I393 VanDerWaalsContact O-CG1 3.29Å; T389-I393 WeakPolarHBondContact O-CG1 3.3Å; T389-I393 PolarHBondContact O-N 2.94Å; I390-I393 PolarHBondContact O-N 2.86Å; I393-G400 CarbonylContact O-C 3.57Å; I393-I401 HydrophobicContact CG2-CG1 3.83Å; I393-I401 WeakPolarHBondContact O-CG1 3.4Å; I393-I401 PolarHBondContact O-N 3.41Å; I393-Y404 HydrophobicContact CD1-CD1 4.15Å; I393-Y404 HydrophobicContact CD1-CD2 4.26Å; I393-Y404 HydrophobicContact CD1-CE1 4.15Å; I393-Y404 HydrophobicContact CD1-CE2 4.23Å; I393-Y404 HydrophobicContact CD1-CG 4.23Å; I393-Y404 HydrophobicContact CG1-CD1 4.03Å; I393-Y404 HydrophobicContact CG1-CD2 3.98Å; I393-Y404 HydrophobicContact CG1-CE2 4.45Å; I393-Y404 HydrophobicContact CG1-CG 3.75Å
394I94.2Very high94.8Very high121 Ų12167.2 Ų67.262%0.62134%0.34SS*.Hα-helixtrans-99.5-38.4-168.9-56.4-179.6000112.4I390 F396 G397I390-I394 HydrophobicContact CG2-CD1 3.88Å; I390-I394 HydrophobicContact CG2-CG1 4.49Å; I390-I394 WeakPolarHBondContact O-CB 3.46Å; I390-I394 PolarHBondContact O-N 3.28Å; I394-F396 PolarHBondContact O-N 3.3Å; I394-F396 VanDerWaalsContact O-N 3.08Å; I394-G397 PolarHBondContact O-N 3.37Å
395G92.8Very high94.9Very high41 Ų4168.1 Ų68.142%0.42335%0.345SS..Hα-helixtrans-64-19-169.200000114.8Y391Y391-G395 WeakPolarHBondContact O-CA 3.19Å; Y391-G395 PolarHBondContact O-N 2.91Å
396F92.9Very high95Very high109 Ų10971.3 Ų71.348%0.47837%0.365SS..THydrogen-bonded Turntrans-111.519.4177.4-57.4-78.9000113.1Y391 I394 W398 Y399 G400Y391-F396 HydrophobicContact CD1-CE2 4.26Å; Y391-F396 AromaticContact CE1-CE2 3.83Å; Y391-F396 HydrophobicContact CE1-CE2 3.83Å; Y391-F396 AromaticContact CE1-CZ 3.88Å; Y391-F396 HydrophobicContact CE1-CZ 3.88Å; I394-F396 PolarHBondContact O-N 3.3Å; I394-F396 VanDerWaalsContact O-N 3.08Å; F396-W398 PolarHBondContact O-N 3.1Å; F396-Y399 PolarHBondContact O-N 3.05Å; F396-G400 PolarHBondContact O-N 3.13Å
397G93Very high95.1Very high42 Ų4271.1 Ų71.143%0.43337%0.367SS..THydrogen-bonded Turntrans55.1-135.5-176.600000112.1I394 Y399 G400I394-G397 PolarHBondContact O-N 3.37Å; G397-Y399 VanDerWaalsContact C-N 3.27Å; G397-Y399 PolarHBondContact O-N 3.43Å; G397-G400 PolarHBondContact O-N 2.93Å; G397-G400 VanDerWaalsContact O-N 3.08Å
398W94.3Very high95.1Very high175 Ų17569.9 Ų69.966%0.66336%0.355SS*.Hα-helixtrans-60.5-33-179.6-172.1-110.9000113.8F396 G400 M402F396-W398 PolarHBondContact O-N 3.1Å; W398-G400 VanDerWaalsContact C-N 3.27Å; W398-G400 PolarHBondContact O-N 2.96Å; W398-M402 HydrophobicContact CD2-CE 4.36Å; W398-M402 HydrophobicContact CD2-CG 4.37Å; W398-M402 HydrophobicContact CG-CG 4.41Å; W398-M402 HydrophobicContact CH2-CE 3.73Å; W398-M402 HydrophobicContact CZ2-CE 3Å; W398-M402 WeakPolarHBondContact O-CB 3.45Å; W398-M402 WeakPolarHBondContact O-CG 3.38Å; W398-M402 PolarHBondContact O-N 3.16Å
399Y95.3Very high95.1Very high189 Ų18972 Ų7274%0.74137%0.366SS*.Hα-helixtrans-66.1-31177-64.2-75000112.2F396 G397 S403F396-Y399 PolarHBondContact O-N 3.05Å; G397-Y399 VanDerWaalsContact C-N 3.27Å; G397-Y399 PolarHBondContact O-N 3.43Å; Y399-S403 VanDerWaalsContact O-CB 3.23Å; Y399-S403 WeakPolarHBondContact O-CB 3.49Å; Y399-S403 PolarHBondContact O-N 2.88Å; Y399-S403 PolarHBondContact O-OG 2.71Å
400G95.7Very high95.1Very high0 Ų077 Ų770%039%0.391CS..Hα-helixtrans-63.4-56.1176.400000111.8W392 I393 F396 G397 W398 M402 S403 Y404W392-G400 CarbonylContact O-C 3.58Å; W392-G400 WeakPolarHBondContact O-CA 3.47Å; I393-G400 CarbonylContact O-C 3.57Å; F396-G400 PolarHBondContact O-N 3.13Å; G397-G400 PolarHBondContact O-N 2.93Å; G397-G400 VanDerWaalsContact O-N 3.08Å; W398-G400 VanDerWaalsContact C-N 3.27Å; W398-G400 PolarHBondContact O-N 2.96Å; G400-M402 PolarHBondContact O-N 2.91Å; G400-S403 PolarHBondContact O-N 3.11Å; G400-S403 PolarHBondContact O-OG 2.85Å; G400-S403 VanDerWaalsContact O-OG 3.07Å; G400-Y404 VanDerWaalsContact O-CB 3.29Å; G400-Y404 WeakPolarHBondContact O-CB 3.13Å; G400-Y404 PolarHBondContact O-N 3.09Å
401I95Very high95.1Very high65 Ų6573.4 Ų73.433%0.33338%0.375SS..Hα-helixtrans-56.2-49.5175.9-63.8166.2000110.8I393 Y404 L405I393-I401 HydrophobicContact CG2-CG1 3.83Å; I393-I401 WeakPolarHBondContact O-CG1 3.4Å; I393-I401 PolarHBondContact O-N 3.41Å; I401-Y404 PolarHBondContact O-N 3.28Å; I401-L405 HydrophobicContact CG2-CD1 3.79Å; I401-L405 HydrophobicContact CG2-CG 4.3Å; I401-L405 WeakPolarHBondContact O-CB 2.87Å; I401-L405 VanDerWaalsContact O-CG 3.3Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 3.12Å
402M96.5Very high95.2Very high77 Ų7768 Ų6838%0.37936%0.358SS..Hα-helixtrans-62.4-49.8-177.4-77.6-64.2171.100112.1W398 G400 Y404 L405 T406W398-M402 HydrophobicContact CD2-CE 4.36Å; W398-M402 HydrophobicContact CD2-CG 4.37Å; W398-M402 HydrophobicContact CG-CG 4.41Å; W398-M402 HydrophobicContact CH2-CE 3.73Å; W398-M402 HydrophobicContact CZ2-CE 3Å; W398-M402 WeakPolarHBondContact O-CB 3.45Å; W398-M402 WeakPolarHBondContact O-CG 3.38Å; W398-M402 PolarHBondContact O-N 3.16Å; G400-M402 PolarHBondContact O-N 2.91Å; M402-Y404 VanDerWaalsContact C-N 3.33Å; M402-Y404 PolarHBondContact O-N 3.12Å; M402-L405 PolarHBondContact O-N 2.65Å; M402-T406 WeakPolarHBondContact O-CB 3.45Å; M402-T406 PolarHBondContact O-N 2.58Å; M402-T406 PolarHBondContact O-OG1 3.27Å
403S96.3Very high95.2Very high52 Ų5270.3 Ų70.336%0.36437%0.372SS..Hα-helixtrans-63.5-38.1179.361.50000112.7W392 Y399 G400 A407W392-S403 PolarHBondContact NE1-OG 3.13Å; Y399-S403 VanDerWaalsContact O-CB 3.23Å; Y399-S403 WeakPolarHBondContact O-CB 3.49Å; Y399-S403 PolarHBondContact O-N 2.88Å; Y399-S403 PolarHBondContact O-OG 2.71Å; G400-S403 PolarHBondContact O-N 3.11Å; G400-S403 PolarHBondContact O-OG 2.85Å; G400-S403 VanDerWaalsContact O-OG 3.07Å; S403-A407 WeakPolarHBondContact O-CB 3.08Å; S403-A407 PolarHBondContact O-N 2.68Å
404Y96.9Very high95.2Very high17 Ų1769.9 Ų69.97%0.06738%0.379CS..Hα-helixtrans-63.6-48.1175.1172.1-90.3000112.1F15 P18 T389 W392 I393 G400 I401 M402 A407 G408F15-Y404 WeakPolarHBondContact CA-OH 3.32Å; F15-Y404 WeakPolarHBondContact CB-OH 3.31Å; F15-Y404 PolarHBondContact O-OH 3.41Å; P18-Y404 HydrophobicContact CB-CD2 4.08Å; P18-Y404 HydrophobicContact CB-CE2 3.72Å; P18-Y404 WeakPolarHBondContact CD-OH 3.49Å; P18-Y404 HydrophobicContact CG-CD2 4.3Å; P18-Y404 HydrophobicContact CG-CE1 4.39Å; P18-Y404 HydrophobicContact CG-CE2 3.57Å; T389-Y404 HydrophobicContact CG2-CE2 4.06Å; W392-Y404 HydrophobicContact CD2-CD2 4.05Å; W392-Y404 AromaticContact CE3-CD2 3.74Å; W392-Y404 HydrophobicContact CE3-CD2 3.74Å; W392-Y404 HydrophobicContact CH2-CD2 4.22Å; W392-Y404 AromaticContact CZ3-CD2 3.83Å; W392-Y404 HydrophobicContact CZ3-CD2 3.83Å; W392-Y404 HydrophobicContact CZ3-CE2 4.48Å; I393-Y404 HydrophobicContact CD1-CD1 4.15Å; I393-Y404 HydrophobicContact CD1-CD2 4.26Å; I393-Y404 HydrophobicContact CD1-CE1 4.15Å; I393-Y404 HydrophobicContact CD1-CE2 4.23Å; I393-Y404 HydrophobicContact CD1-CG 4.23Å; I393-Y404 HydrophobicContact CG1-CD1 4.03Å; I393-Y404 HydrophobicContact CG1-CD2 3.98Å; I393-Y404 HydrophobicContact CG1-CE2 4.45Å; I393-Y404 HydrophobicContact CG1-CG 3.75Å; G400-Y404 VanDerWaalsContact O-CB 3.29Å; G400-Y404 WeakPolarHBondContact O-CB 3.13Å; G400-Y404 PolarHBondContact O-N 3.09Å; I401-Y404 PolarHBondContact O-N 3.28Å; M402-Y404 VanDerWaalsContact C-N 3.33Å; M402-Y404 PolarHBondContact O-N 3.12Å; Y404-A407 PolarHBondContact O-N 3.3Å; Y404-G408 PolarHBondContact O-N 2.84Å
405L95.7Very high95.2Very high98 Ų9864.4 Ų64.451%0.51335%0.352SS..Hα-helixtrans-64.5-40.9177.6-69.7177.3000111.5I401 M402 G408 L409I401-L405 HydrophobicContact CG2-CD1 3.79Å; I401-L405 HydrophobicContact CG2-CG 4.3Å; I401-L405 WeakPolarHBondContact O-CB 2.87Å; I401-L405 VanDerWaalsContact O-CG 3.3Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 3.12Å; M402-L405 PolarHBondContact O-N 2.65Å; L405-G408 PolarHBondContact O-N 2.95Å; L405-L409 WeakPolarHBondContact O-CB 3.29Å; L405-L409 PolarHBondContact O-N 3.44Å
406T96.2Very high95.4Very high70 Ų7066 Ų6643%0.42935%0.349SS..Hα-helixtrans-61.2-46.3174.3-62.90000111.3M402 G408 L409 I410M402-T406 WeakPolarHBondContact O-CB 3.45Å; M402-T406 PolarHBondContact O-N 2.58Å; M402-T406 PolarHBondContact O-OG1 3.27Å; T406-G408 VanDerWaalsContact C-N 3.32Å; T406-G408 PolarHBondContact O-N 3.32Å; T406-L409 PolarHBondContact O-N 2.91Å; T406-I410 HydrophobicContact CG2-CD1 3.52Å; T406-I410 HydrophobicContact CG2-CG1 4.16Å; T406-I410 WeakPolarHBondContact O-CB 3.06Å; T406-I410 VanDerWaalsContact O-CG1 3.31Å; T406-I410 WeakPolarHBondContact O-CG1 3.45Å; T406-I410 PolarHBondContact O-N 3.48Å
407A95.5Very high95.5Very high16 Ų1665.3 Ų65.313%0.13235%0.349CS..Hα-helixtrans-62.3-40176.300000112P18 M22 W392 S403 Y404 G411P18-A407 HydrophobicContact CB-CB 4.47Å; M22-A407 HydrophobicContact SD-CB 4.42Å; W392-A407 HydrophobicContact CH2-CB 3.57Å; W392-A407 HydrophobicContact CZ2-CB 3.81Å; S403-A407 WeakPolarHBondContact O-CB 3.08Å; S403-A407 PolarHBondContact O-N 2.68Å; Y404-A407 PolarHBondContact O-N 3.3Å; A407-G411 WeakPolarHBondContact O-CA 3Å; A407-G411 PolarHBondContact O-N 3.2Å
408G95.5Very high95.6Very high13 Ų1367.5 Ų67.513%0.13435%0.345CS..Hα-helixtrans-62.5-45174.800000112.9Y404 L405 T406 T412Y404-G408 PolarHBondContact O-N 2.84Å; L405-G408 PolarHBondContact O-N 2.95Å; T406-G408 VanDerWaalsContact C-N 3.32Å; T406-G408 PolarHBondContact O-N 3.32Å; G408-T412 VanDerWaalsContact O-CB 3.29Å; G408-T412 WeakPolarHBondContact O-CB 3.49Å; G408-T412 PolarHBondContact O-N 2.97Å; G408-T412 PolarHBondContact O-OG1 3.01Å
409L96Very high95.5Very high107 Ų10759.2 Ų59.256%0.5631%0.314SS*.Hα-helixtrans-68.1-51.7179.7-17664.6000111.8L405 T406 G411 T412 I413L405-L409 WeakPolarHBondContact O-CB 3.29Å; L405-L409 PolarHBondContact O-N 3.44Å; T406-L409 PolarHBondContact O-N 2.91Å; L409-G411 VanDerWaalsContact C-N 3.34Å; L409-G411 PolarHBondContact O-N 2.79Å; L409-T412 PolarHBondContact O-N 2.88Å; L409-I413 HydrophobicContact CD1-CD1 3.8Å; L409-I413 HydrophobicContact CD1-CG1 4.37Å; L409-I413 HydrophobicContact CG-CD1 3.97Å; L409-I413 WeakPolarHBondContact O-CG1 3.4Å; L409-I413 PolarHBondContact O-N 3.31Å
410I95.1Very high95.4Very high110 Ų11055.3 Ų55.356%0.56430%0.302SS*.Hα-helixtrans-61.8-44.7178-67.6176.6000110.1T406 T412 I413 G414T406-I410 HydrophobicContact CG2-CD1 3.52Å; T406-I410 HydrophobicContact CG2-CG1 4.16Å; T406-I410 WeakPolarHBondContact O-CB 3.06Å; T406-I410 VanDerWaalsContact O-CG1 3.31Å; T406-I410 WeakPolarHBondContact O-CG1 3.45Å; T406-I410 PolarHBondContact O-N 3.48Å; I410-T412 VanDerWaalsContact C-N 3.29Å; I410-T412 PolarHBondContact O-N 2.65Å; I410-I413 PolarHBondContact O-N 3.3Å; I410-G414 WeakPolarHBondContact O-CA 3.46Å; I410-G414 PolarHBondContact O-N 3.42Å
411G94.6Very high95.3Very high9 Ų962.9 Ų62.99%0.09334%0.335CS..Hα-helixtrans-61.3-37.8177.400000113L21 A407 L409 G415L21-G411 VanDerWaalsContact CD2-CA 3.41Å; A407-G411 WeakPolarHBondContact O-CA 3Å; A407-G411 PolarHBondContact O-N 3.2Å; L409-G411 VanDerWaalsContact C-N 3.34Å; L409-G411 PolarHBondContact O-N 2.79Å; G411-G415 WeakPolarHBondContact O-CA 3.37Å; G411-G415 PolarHBondContact O-N 2.98Å
412T96.1Very high94.9Very high32 Ų3262.7 Ų62.720%0.19634%0.344CS..Hα-helixtrans-69.6-53.7176.5-61.70000111.3P121 G408 L409 I410 Q416P121-T412 HydrophobicContact CB-CG2 3.81Å; P121-T412 HydrophobicContact CG-CG2 4.29Å; G408-T412 VanDerWaalsContact O-CB 3.29Å; G408-T412 WeakPolarHBondContact O-CB 3.49Å; G408-T412 PolarHBondContact O-N 2.97Å; G408-T412 PolarHBondContact O-OG1 3.01Å; L409-T412 PolarHBondContact O-N 2.88Å; I410-T412 VanDerWaalsContact C-N 3.29Å; I410-T412 PolarHBondContact O-N 2.65Å; T412-Q416 WeakPolarHBondContact O-CB 2.99Å; T412-Q416 VanDerWaalsContact O-CG 3.26Å; T412-Q416 WeakPolarHBondContact O-CG 3.45Å; T412-Q416 PolarHBondContact O-N 3.5Å
413I96.4Very high94.2Very high87 Ų8763.2 Ų63.245%0.44635%0.347SS..Hα-helixtrans-65.4-52.5-177.4-65.6171.9000110.3L409 I410 G415 Q416 L417L409-I413 HydrophobicContact CD1-CD1 3.8Å; L409-I413 HydrophobicContact CD1-CG1 4.37Å; L409-I413 HydrophobicContact CG-CD1 3.97Å; L409-I413 WeakPolarHBondContact O-CG1 3.4Å; L409-I413 PolarHBondContact O-N 3.31Å; I410-I413 PolarHBondContact O-N 3.3Å; I413-G415 VanDerWaalsContact C-N 3.32Å; I413-G415 PolarHBondContact O-N 2.68Å; I413-Q416 PolarHBondContact O-N 2.83Å; I413-L417 HydrophobicContact CG2-CD1 3.89Å; I413-L417 HydrophobicContact CG2-CG 4.41Å; I413-L417 VanDerWaalsContact O-CG 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 3.45Å
414G95.2Very high94.1Very high37 Ų3763.8 Ų63.838%0.38135%0.346SS..Hα-helixtrans-61.2-41.4179.300000112.1I410 L417 Y418I410-G414 WeakPolarHBondContact O-CA 3.46Å; I410-G414 PolarHBondContact O-N 3.42Å; G414-L417 PolarHBondContact O-N 2.98Å; G414-Y418 WeakPolarHBondContact O-CB 3.47Å; G414-Y418 PolarHBondContact O-N 3.07Å
415G95Very high94Very high6 Ų666.3 Ų66.36%0.06236%0.361CS..Hα-helixtrans-62.3-45174.800000112.6G411 I413 Y418 V419G411-G415 WeakPolarHBondContact O-CA 3.37Å; G411-G415 PolarHBondContact O-N 2.98Å; I413-G415 VanDerWaalsContact C-N 3.32Å; I413-G415 PolarHBondContact O-N 2.68Å; G415-Y418 PolarHBondContact O-N 3.04Å; G415-V419 WeakPolarHBondContact O-CG1 3.13Å; G415-V419 WeakPolarHBondContact O-CG2 3.19Å; G415-V419 PolarHBondContact O-N 3.13Å
416Q95.3Very high93.9Very high76 Ų7664.5 Ų64.536%0.35535%0.353SS..Hα-helixtrans-65.9-40.4177.5-77.1-179.7-9.700112.8Y119 T412 I413 V419 H420Y119-Q416 PolarHBondContact O-NE2 3.33Å; T412-Q416 WeakPolarHBondContact O-CB 2.99Å; T412-Q416 VanDerWaalsContact O-CG 3.26Å; T412-Q416 WeakPolarHBondContact O-CG 3.45Å; T412-Q416 PolarHBondContact O-N 3.5Å; I413-Q416 PolarHBondContact O-N 2.83Å; Q416-V419 VanDerWaalsContact O-CG2 3.31Å; Q416-V419 WeakPolarHBondContact O-CG2 2.99Å; Q416-H420 VanDerWaalsContact O-CB 3.26Å; Q416-H420 WeakPolarHBondContact O-CB 3.35Å; Q416-H420 PolarHBondContact O-N 2.99Å; Q416-H420 VanDerWaalsContact O-N 3.1Å
417L96.4Very high93.7Very high93 Ų9364.2 Ų64.249%0.48735%0.348SS..Hα-helixtrans-63.3-46.5173.9-69.7171000110.6I413 G414 V419 H420 F421I413-L417 HydrophobicContact CG2-CD1 3.89Å; I413-L417 HydrophobicContact CG2-CG 4.41Å; I413-L417 VanDerWaalsContact O-CG 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 3.45Å; G414-L417 PolarHBondContact O-N 2.98Å; L417-V419 PolarHBondContact O-N 3.2Å; L417-H420 PolarHBondContact O-N 2.67Å; L417-H420 VanDerWaalsContact O-N 3.17Å; L417-F421 HydrophobicContact CD2-CE2 3.91Å; L417-F421 WeakPolarHBondContact O-CD2 3.45Å; L417-F421 PolarHBondContact O-N 3.32Å
418Y94.3Very high93.6Very high89 Ų8967.2 Ų67.235%0.34936%0.362SS..Hα-helixtrans-57.5-52.3178176.7-88.8000111.8F125 Q129 G414 G415 H420 F421 A422 I423F125-Y418 AromaticContact CD2-CD1 3.47Å; F125-Y418 HydrophobicContact CD2-CD1 3.47Å; F125-Y418 VanDerWaalsContact CD2-CD1 3.47Å; F125-Y418 HydrophobicContact CD2-CE1 4.1Å; F125-Y418 AromaticContact CD2-CG 3.85Å; F125-Y418 HydrophobicContact CD2-CG 3.85Å; F125-Y418 AromaticContact CE2-CD1 3.58Å; F125-Y418 HydrophobicContact CE2-CD1 3.58Å; F125-Y418 HydrophobicContact CE2-CD2 4.22Å; F125-Y418 AromaticContact CE2-CE1 3.94Å; F125-Y418 HydrophobicContact CE2-CE1 3.94Å; F125-Y418 AromaticContact CE2-CG 3.72Å; F125-Y418 HydrophobicContact CE2-CG 3.72Å; Q129-Y418 PolarHBondContact NE2-OH 3.5Å; G414-Y418 WeakPolarHBondContact O-CB 3.47Å; G414-Y418 PolarHBondContact O-N 3.07Å; G415-Y418 PolarHBondContact O-N 3.04Å; Y418-H420 PolarHBondContact O-N 2.95Å; Y418-F421 PolarHBondContact O-N 2.81Å; Y418-A422 HydrophobicContact CD2-CB 4.02Å; Y418-A422 HydrophobicContact CE1-CB 4.42Å; Y418-A422 HydrophobicContact CE2-CB 3.86Å; Y418-A422 HydrophobicContact CG-CB 4.39Å; Y418-A422 WeakPolarHBondContact O-CA 3.4Å; Y418-A422 VanDerWaalsContact O-CB 3.26Å; Y418-A422 WeakPolarHBondContact O-CB 3.25Å; Y418-A422 PolarHBondContact O-N 3.43Å; Y418-I423 HydrophobicContact CD1-CG1 4.19Å; Y418-I423 HydrophobicContact CE1-CD1 4.02Å; Y418-I423 HydrophobicContact CE1-CG1 3.69Å
419V92.5Very high93.5Very high0 Ų070.8 Ų70.80%038%0.377CS..Hα-helixtrans-71.5-11.2-179-59.20000113.9K118 Y119 F125 G415 Q416 L417 I423K118-V419 HydrophobicContact CB-CB 4.15Å; K118-V419 HydrophobicContact CB-CG1 4.33Å; K118-V419 HydrophobicContact CB-CG2 4.43Å; K118-V419 HydrophobicContact CD-CB 4.16Å; K118-V419 WeakPolarHBondContact CE-O 3.38Å; K118-V419 HydrophobicContact CG-CB 3.95Å; K118-V419 HydrophobicContact CG-CG2 4Å; K118-V419 PolarHBondContact NZ-O 2.81Å; K118-V419 WeakPolarHBondContact O-CG2 3.46Å; Y119-V419 HydrophobicContact CD1-CG2 3.77Å; Y119-V419 HydrophobicContact CE1-CG2 3.84Å; F125-V419 HydrophobicContact CB-CG1 4.43Å; G415-V419 WeakPolarHBondContact O-CG1 3.13Å; G415-V419 WeakPolarHBondContact O-CG2 3.19Å; G415-V419 PolarHBondContact O-N 3.13Å; Q416-V419 VanDerWaalsContact O-CG2 3.31Å; Q416-V419 WeakPolarHBondContact O-CG2 2.99Å; L417-V419 PolarHBondContact O-N 3.2Å; V419-I423 HydrophobicContact CB-CB 4.46Å
420H93.1Very high93.3Very high107 Ų10768.2 Ų68.250%0.49536%0.364SS..Hα-helixtrans-86-40.4174.3-172.570000111.5Y119 Q416 L417 Y418Y119-H420 HydrophobicContact CE1-CB 4.22Å; Y119-H420 PolarHBondContact OH-ND1 3.27Å; Q416-H420 VanDerWaalsContact O-CB 3.26Å; Q416-H420 WeakPolarHBondContact O-CB 3.35Å; Q416-H420 PolarHBondContact O-N 2.99Å; Q416-H420 VanDerWaalsContact O-N 3.1Å; L417-H420 PolarHBondContact O-N 2.67Å; L417-H420 VanDerWaalsContact O-N 3.17Å; Y418-H420 PolarHBondContact O-N 2.95Å
421F92.6Very high93.2Very high159 Ų15965 Ų6570%0.69735%0.348SS*.Hα-helixtrans-100.4-25-173.2-67.6-66.7000114.4L417 Y418L417-F421 HydrophobicContact CD2-CE2 3.91Å; L417-F421 WeakPolarHBondContact O-CD2 3.45Å; L417-F421 PolarHBondContact O-N 3.32Å; Y418-F421 PolarHBondContact O-N 2.81Å
422A87.1Confident93Very high62 Ų6269.7 Ų69.751%0.51237%0.369SS..THydrogen-bonded Turntrans-113.2-14-173.800000114.5Y418Y418-A422 HydrophobicContact CD2-CB 4.02Å; Y418-A422 HydrophobicContact CE1-CB 4.42Å; Y418-A422 HydrophobicContact CE2-CB 3.86Å; Y418-A422 HydrophobicContact CG-CB 4.39Å; Y418-A422 WeakPolarHBondContact O-CA 3.4Å; Y418-A422 VanDerWaalsContact O-CB 3.26Å; Y418-A422 WeakPolarHBondContact O-CB 3.25Å; Y418-A422 PolarHBondContact O-N 3.43Å
423I82.4Confident92.8Very high88 Ų8873.1 Ų73.145%0.45139%0.385SS..  trans-1280178.7-53.3-67.6000108.4K118 F134 Y418 V419K118-I423 HydrophobicContact CD-CG2 4.24Å; K118-I423 VanDerWaalsContact NZ-C 3.31Å; K118-I423 PolarHBondContact NZ-O 2.83Å; K118-I423 PolarHBondContact NZ-OXT 3.35Å; F134-I423 HydrophobicContact CD2-CG2 4.23Å; Y418-I423 HydrophobicContact CD1-CG1 4.19Å; Y418-I423 HydrophobicContact CE1-CD1 4.02Å; Y418-I423 HydrophobicContact CE1-CG1 3.69Å; V419-I423 HydrophobicContact CB-CB 4.46Å

Retrieved 423 of 423 residues in 374.6 ms (Link to these results)

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