A0A077ZCE0_TRITR Loading...

Actin-related protein 2/3 complex subunit 4

Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks. Seems to contact the mother actin filament.

AlphaFold DB , UniProt , Accession A0A077ZCE0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M48.9Very low86.9Confident197 Ų19780.6 Ų80.697%0.9747%0.474SS*.  0-4.40-85.7-175.8-119.200114.9R55M1-R55 PolarHBondContact O-NH2 3.17Å
2S66.8Low87.8Confident103 Ų10373.9 Ų73.972%0.7244%0.435SS*.  trans-71.1-32.2178.3165.70000114.2T4 L5S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 3.01Å; S2-T4 VanDerWaalsContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 3.37Å; S2-L5 VanDerWaalsContact O-N 3.09Å
3A80.3Confident88.6Confident93 Ų9373.5 Ų73.577%0.76943%0.426SS*.Hα-helixtrans-59.9-28.4-170.500000115.8
4T92.4Very high89.3Confident72 Ų7272.5 Ų72.544%0.44243%0.43SS..Hα-helixtrans-91.6-9.6-178.5750000113.6S2 S7 Y8 R55S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 3.01Å; S2-T4 VanDerWaalsContact O-N 3.09Å; T4-S7 PolarHBondContact O-OG 2.98Å; T4-Y8 WeakPolarHBondContact O-CB 3.32Å; T4-Y8 PolarHBondContact O-N 3.47Å; T4-R55 PolarHBondContact OG1-NE 3.37Å
5L91.8Very high89.9Confident49 Ų4970.3 Ų70.326%0.25742%0.417SS..Hα-helixtrans-68.5-46.6-177.417859.5000110S2 S7 Y8 L9S2-L5 PolarHBondContact O-N 3.37Å; S2-L5 VanDerWaalsContact O-N 3.09Å; L5-S7 PolarHBondContact O-N 3.3Å; L5-Y8 HydrophobicContact CD1-CD1 4.44Å; L5-Y8 WeakPolarHBondContact O-CB 3.49Å; L5-Y8 PolarHBondContact O-N 3.17Å; L5-L9 HydrophobicContact CD1-CD1 3.8Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.92Å; L5-L9 HydrophobicContact CD2-CD1 4.48Å; L5-L9 HydrophobicContact CG-CD1 3.81Å; L5-L9 HydrophobicContact CG-CG 4.3Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.26Å
6K93.4Very high90.3Very high150 Ų15065.9 Ų65.965%0.65239%0.392SS*.Hα-helixtrans-58.8-50.7-179.1-179.3165.2-177.31540112.1Y8 L9 D10K6-Y8 VanDerWaalsContact C-N 3.28Å; K6-Y8 PolarHBondContact O-N 3.05Å; K6-L9 PolarHBondContact O-N 3.49Å; K6-D10 WeakPolarHBondContact CG-OD2 3.19Å; K6-D10 WeakPolarHBondContact O-CB 3.44Å; K6-D10 PolarHBondContact O-N 3.1Å
7S95.7Very high90.8Very high72 Ų7265.5 Ų65.550%0.50339%0.39SS..Hα-helixtrans-62.9-35.1179.154.40000113T4 L5 A11T4-S7 PolarHBondContact O-OG 2.98Å; L5-S7 PolarHBondContact O-N 3.3Å; S7-A11 WeakPolarHBondContact O-CB 3.3Å; S7-A11 PolarHBondContact O-N 3.46Å; S7-A11 VanDerWaalsContact O-N 3.09Å
8Y96.3Very high91.1Very high17 Ų1765.8 Ų65.87%0.06740%0.4CS..Hα-helixtrans-64.3-48.7173.7170.8-120.4000111.8T4 L5 K6 A11 V12 I53 R55 R60 V61 M139T4-Y8 WeakPolarHBondContact O-CB 3.32Å; T4-Y8 PolarHBondContact O-N 3.47Å; L5-Y8 HydrophobicContact CD1-CD1 4.44Å; L5-Y8 WeakPolarHBondContact O-CB 3.49Å; L5-Y8 PolarHBondContact O-N 3.17Å; K6-Y8 VanDerWaalsContact C-N 3.28Å; K6-Y8 PolarHBondContact O-N 3.05Å; Y8-A11 PolarHBondContact O-N 2.91Å; Y8-V12 HydrophobicContact CD2-CG2 4.23Å; Y8-V12 HydrophobicContact CE2-CG2 3.94Å; Y8-V12 WeakPolarHBondContact O-CG2 3.25Å; Y8-V12 PolarHBondContact O-N 3.49Å; Y8-I53 HydrophobicContact CD2-CG2 3.86Å; Y8-I53 HydrophobicContact CE2-CB 4.42Å; Y8-I53 HydrophobicContact CE2-CG2 3.87Å; Y8-R55 HydrophobicContact CD1-CB 3.98Å; Y8-R55 HydrophobicContact CD1-CG 4.47Å; Y8-R55 HydrophobicContact CD2-CB 3.8Å; Y8-R55 HydrophobicContact CE1-CB 4.24Å; Y8-R55 HydrophobicContact CE2-CB 4.08Å; Y8-R55 HydrophobicContact CG-CB 3.73Å; Y8-R55 HydrophobicContact CG-CG 4.27Å; Y8-R60 WeakPolarHBondContact OH-CA 3.49Å; Y8-V61 VanDerWaalsContact OH-CG2 3.28Å; Y8-V61 WeakPolarHBondContact OH-CG2 3.32Å; Y8-V61 PolarHBondContact OH-N 2.79Å; Y8-M139 HydrophobicContact CD1-CE 4.44Å; Y8-M139 HydrophobicContact CE1-CE 3.53Å
9L96.3Very high91.3Very high5 Ų563 Ų633%0.02639%0.385CS..Hα-helixtrans-66.9-38.8179.2-65.5175.4000112.2L5 K6 A11 V12 H13 I136 M139 E140L5-L9 HydrophobicContact CD1-CD1 3.8Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.92Å; L5-L9 HydrophobicContact CD2-CD1 4.48Å; L5-L9 HydrophobicContact CG-CD1 3.81Å; L5-L9 HydrophobicContact CG-CG 4.3Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.26Å; K6-L9 PolarHBondContact O-N 3.49Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.42Å; L9-V12 PolarHBondContact O-N 3.1Å; L9-H13 VanDerWaalsContact O-CB 3.28Å; L9-H13 WeakPolarHBondContact O-CB 3.34Å; L9-H13 PolarHBondContact O-N 3.46Å; L9-I136 HydrophobicContact CB-CG2 4.47Å; L9-M139 HydrophobicContact CD2-CB 3.97Å; L9-M139 HydrophobicContact CD2-CE 3.85Å; L9-M139 HydrophobicContact CD2-SD 4.41Å; L9-E140 HydrophobicContact CD1-CG 3.36Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.45Å
10D96.9Very high91.5Very high88 Ų8860.2 Ų60.247%0.47137%0.367SS..Hα-helixtrans-61.1-41.5175-68.6-21.9000110.9K6 H13 A14K6-D10 WeakPolarHBondContact CG-OD2 3.19Å; K6-D10 WeakPolarHBondContact O-CB 3.44Å; K6-D10 PolarHBondContact O-N 3.1Å; D10-H13 PolarHBondContact O-N 3.33Å; D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 2.65Å
11A97.6Very high91.6Very high41 Ų4161.4 Ų61.434%0.33938%0.379SS..Hα-helixtrans-65.9-41.8175.700000112.3S7 Y8 L9 T15 I53S7-A11 WeakPolarHBondContact O-CB 3.3Å; S7-A11 PolarHBondContact O-N 3.46Å; S7-A11 VanDerWaalsContact O-N 3.09Å; Y8-A11 PolarHBondContact O-N 2.91Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 3.42Å; A11-T15 WeakPolarHBondContact O-CB 3.49Å; A11-T15 PolarHBondContact O-N 3.24Å; A11-T15 PolarHBondContact O-OG1 3.25Å; A11-I53 HydrophobicContact CB-CG2 4.15Å
12V97.8Very high93.8Very high0 Ų052.8 Ų52.80%034%0.337CS..Hα-helixtrans-63.9-45.7174.3176.60000110.4Y8 L9 A14 T15 L16 I53 V61 I136 M139Y8-V12 HydrophobicContact CD2-CG2 4.23Å; Y8-V12 HydrophobicContact CE2-CG2 3.94Å; Y8-V12 WeakPolarHBondContact O-CG2 3.25Å; Y8-V12 PolarHBondContact O-N 3.49Å; L9-V12 PolarHBondContact O-N 3.1Å; V12-A14 PolarHBondContact O-N 3.01Å; V12-T15 PolarHBondContact O-N 3.5Å; V12-L16 HydrophobicContact CG1-CD1 3.75Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.3Å; V12-I53 HydrophobicContact CB-CD1 4.31Å; V12-I53 HydrophobicContact CG2-CB 4.16Å; V12-I53 HydrophobicContact CG2-CD1 3.87Å; V12-I53 HydrophobicContact CG2-CG2 3.93Å; V12-V61 HydrophobicContact CG1-CG2 4.38Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.03Å; V12-I136 HydrophobicContact CB-CD1 4.1Å; V12-I136 HydrophobicContact CG1-CD1 3.8Å; V12-M139 HydrophobicContact CG1-SD 4.02Å; V12-M139 HydrophobicContact CG2-CE 4.33Å
13H98Very high95.2Very high69 Ų6951.7 Ų51.732%0.31933%0.326SS..Hα-helixtrans-58.6-49.7178.7178.9-74.8000111.5L9 D10 T15 L16 T17 V132 I136L9-H13 VanDerWaalsContact O-CB 3.28Å; L9-H13 WeakPolarHBondContact O-CB 3.34Å; L9-H13 PolarHBondContact O-N 3.46Å; D10-H13 PolarHBondContact O-N 3.33Å; H13-T15 VanDerWaalsContact C-N 3.33Å; H13-T15 PolarHBondContact O-N 3.44Å; H13-L16 PolarHBondContact O-N 3.27Å; H13-T17 PolarHBondContact CE1-OG1 3.46Å; H13-T17 WeakPolarHBondContact O-CB 3.44Å; H13-T17 PolarHBondContact O-N 2.98Å; H13-T17 PolarHBondContact O-OG1 2.69Å; H13-V132 VanDerWaalsContact CD2-CG1 3.44Å; H13-V132 WeakPolarHBondContact CD2-CG1 3.28Å; H13-I136 HydrophobicContact CB-CD1 3.99Å; H13-I136 HydrophobicContact CB-CG1 4.03Å
14A97.9Very high95.9Very high59 Ų5951.8 Ų51.849%0.48831%0.314SS..Hα-helixtrans-61.1-42.6177.900000111.7D10 V12 T17 A18D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 2.65Å; V12-A14 PolarHBondContact O-N 3.01Å; A14-T17 PolarHBondContact O-N 3.46Å; A14-A18 PolarHBondContact O-N 2.9Å
15T98Very high96Very high39 Ų3951.8 Ų51.824%0.23931%0.306CS..Hα-helixtrans-66.6-44.3179.3-55.20000111.8A11 V12 H13 T17 A18 A19 V51 I53 V63A11-T15 WeakPolarHBondContact O-CB 3.49Å; A11-T15 PolarHBondContact O-N 3.24Å; A11-T15 PolarHBondContact O-OG1 3.25Å; V12-T15 PolarHBondContact O-N 3.5Å; H13-T15 VanDerWaalsContact C-N 3.33Å; H13-T15 PolarHBondContact O-N 3.44Å; T15-T17 VanDerWaalsContact C-N 3.34Å; T15-A18 PolarHBondContact O-N 2.96Å; T15-A19 WeakPolarHBondContact O-CB 3.18Å; T15-A19 PolarHBondContact O-N 2.84Å; T15-V51 HydrophobicContact CG2-CG1 4.35Å; T15-I53 HydrophobicContact CG2-CD1 3.95Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.4Å; T15-V63 HydrophobicContact CG2-CG2 4.38Å
16L97.5Very high96Very high1 Ų153.6 Ų53.61%0.00532%0.323CS..Hα-helixtrans-64.3-40.6176.8-70.2178.5000111.4V12 H13 A18 A19 L20 V63 V72 V132 V135 I136V12-L16 HydrophobicContact CG1-CD1 3.75Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 WeakPolarHBondContact O-CB 3.4Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.42Å; V12-L16 PolarHBondContact O-N 3.3Å; H13-L16 PolarHBondContact O-N 3.27Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-A19 PolarHBondContact O-N 3.09Å; L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.16Å; L16-L20 PolarHBondContact O-N 3.27Å; L16-V63 HydrophobicContact CD2-CG1 4.28Å; L16-V63 HydrophobicContact CD2-CG2 3.96Å; L16-V72 HydrophobicContact CD2-CB 4.48Å; L16-V72 HydrophobicContact CD2-CG1 4.11Å; L16-V72 HydrophobicContact CD2-CG2 3.51Å; L16-V132 HydrophobicContact CB-CG1 4.13Å; L16-V132 HydrophobicContact CB-CG2 4.17Å; L16-V135 HydrophobicContact CD1-CB 4.04Å; L16-V135 HydrophobicContact CD1-CG1 3.69Å; L16-I136 HydrophobicContact CD1-CD1 4.45Å
17T97.4Very high96Very high59 Ų5947.2 Ų47.236%0.36230%0.297SS..Hα-helixtrans-59.6-42.6175.9-59.70000111.7H13 A14 T15H13-T17 PolarHBondContact CE1-OG1 3.46Å; H13-T17 WeakPolarHBondContact O-CB 3.44Å; H13-T17 PolarHBondContact O-N 2.98Å; H13-T17 PolarHBondContact O-OG1 2.69Å; A14-T17 PolarHBondContact O-N 3.46Å; T15-T17 VanDerWaalsContact C-N 3.34Å
18A96.5Very high95.7Very high70 Ų7048.3 Ų48.358%0.57929%0.294SS*.Hα-helixtrans-69.8-43.6175.900000112A14 T15 L16 L20 S21A14-A18 PolarHBondContact O-N 2.9Å; T15-A18 PolarHBondContact O-N 2.96Å; L16-A18 VanDerWaalsContact C-N 3.31Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-L20 PolarHBondContact O-N 3.4Å; A18-S21 PolarHBondContact O-OG 3.41Å
19A96.2Very high95.4Very high13 Ų1352.2 Ų52.211%0.10732%0.32CS..Hα-helixtrans-62.6-39.7-179.300000112.3T15 L16 S21 V63 T65 I70T15-A19 WeakPolarHBondContact O-CB 3.18Å; T15-A19 PolarHBondContact O-N 2.84Å; L16-A19 PolarHBondContact O-N 3.09Å; A19-S21 PolarHBondContact O-N 3.49Å; A19-V63 HydrophobicContact CB-CG1 3.99Å; A19-T65 HydrophobicContact CB-CG2 4.44Å; A19-T65 WeakPolarHBondContact CB-OG1 3.35Å; A19-I70 HydrophobicContact CB-CD1 3.97Å; A19-I70 HydrophobicContact CB-CG1 4.46Å; A19-I70 WeakPolarHBondContact O-CD1 3.36Å
20L94.5Very high95.2Very high6 Ų654.5 Ų54.53%0.03133%0.334CS..  trans-70.943.1179.4-83.4154.5000114L16 A18 I70 I118 T123 V132L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.16Å; L16-L20 PolarHBondContact O-N 3.27Å; A18-L20 PolarHBondContact O-N 3.4Å; L20-I70 VanDerWaalsContact CA-CD1 3.46Å; L20-I70 HydrophobicContact CB-CD1 4.13Å; L20-I70 HydrophobicContact CD2-CD1 3.77Å; L20-I70 HydrophobicContact CG-CD1 3.56Å; L20-I118 HydrophobicContact CD1-CD1 4.46Å; L20-I118 HydrophobicContact CD2-CB 4.32Å; L20-I118 HydrophobicContact CD2-CD1 4.3Å; L20-I118 HydrophobicContact CD2-CG2 3.68Å; L20-T123 HydrophobicContact CD2-CG2 3.84Å; L20-V132 HydrophobicContact CD1-CG2 3.38Å
21S94Very high94.8Very high87 Ų8757.4 Ų57.461%0.60834%0.344SS*.  trans-106.144.6170.2-51.30000110.1A18 A19A18-S21 PolarHBondContact O-OG 3.41Å; A19-S21 PolarHBondContact O-N 3.49Å
22V95Very high94.5Very high16 Ų1666.3 Ų66.310%0.09737%0.369CS..  trans-81150.9-178.5-67.10000111.2V67 I70 N120 T123V22-V67 WeakPolarHBondContact CA-O 3.28Å; V22-I70 HydrophobicContact CG1-CD1 3.88Å; V22-I70 HydrophobicContact CG1-CG1 3.94Å; V22-N120 HydrophobicContact CG2-CB 4.43Å; V22-T123 HydrophobicContact CG2-CG2 3.79Å
23T94.9Very high94.2Very high79 Ų7970.5 Ų70.549%0.48539%0.389SS..  trans-135.4157179.554.40000110.7Y25 V67 N68T23-Y25 PolarHBondContact O-N 3.08Å; T23-V67 PolarHBondContact N-O 3.11Å; T23-N68 VanDerWaalsContact O-CA 3.25Å; T23-N68 WeakPolarHBondContact O-CA 3.4Å; T23-N68 WeakPolarHBondContact O-CB 3.31Å
24D95.3Very high94Very high96 Ų9670.7 Ų70.751%0.51339%0.392SS..  trans-64.3126.5174.7-16731.4000110.9N34 N120D24-N34 PolarHBondContact OD1-ND2 3.32Å; D24-N120 WeakPolarHBondContact CA-ND2 3.44Å; D24-N120 WeakPolarHBondContact CB-ND2 3.26Å; D24-N120 PolarHBondContact OD1-ND2 2.76Å
25Y94.4Very high93.8Very high72 Ų7271.4 Ų71.428%0.28238%0.384SS..  trans-142118.6-174.8-160.3-88.2000111T23 Q28 N34 M46 V67T23-Y25 PolarHBondContact O-N 3.08Å; Y25-Q28 HydrophobicContact CE1-CG 4.19Å; Y25-Q28 PolarHBondContact OH-NE2 3.46Å; Y25-N34 PolarHBondContact O-OD1 3.42Å; Y25-M46 HydrophobicContact CD1-SD 4.31Å; Y25-M46 HydrophobicContact CE1-CE 3.58Å; Y25-M46 HydrophobicContact CE1-CG 4.48Å; Y25-M46 HydrophobicContact CE1-SD 3.76Å; Y25-M46 HydrophobicContact CE2-CE 4.27Å; Y25-M46 HydrophobicContact CE2-SD 4.29Å; Y25-M46 WeakPolarHBondContact OH-CE 3.4Å; Y25-V67 HydrophobicContact CD1-CG1 3.91Å; Y25-V67 HydrophobicContact CD2-CG1 4.08Å; Y25-V67 HydrophobicContact CD2-CG2 3.76Å; Y25-V67 HydrophobicContact CE2-CG2 4.42Å; Y25-V67 HydrophobicContact CG-CG1 3.62Å; Y25-V67 HydrophobicContact CG-CG2 4.11Å
26S92.9Very high93.7Very high87 Ų8771.2 Ų71.261%0.60838%0.384SS*.  trans-73143.9178.2-66.70000111.4Q28S26-Q28 PolarHBondContact O-N 2.88Å
27S92.7Very high93.7Very high16 Ų1671.2 Ų71.211%0.11238%0.383CS..  trans-63.9133.7179.3-171.20000111.3V29 H33S27-V29 PolarHBondContact OG-N 2.97Å; S27-H33 WeakPolarHBondContact CB-O 3.23Å; S27-H33 PolarHBondContact N-O 3.01Å
28Q89.4Confident93.6Very high94 Ų9468.5 Ų68.544%0.43937%0.367SS..SBendtrans-79.6-19174.7-66.8178.8-21.900113.2Y25 S26 S43 E45Y25-Q28 HydrophobicContact CE1-CG 4.19Å; Y25-Q28 PolarHBondContact OH-NE2 3.46Å; S26-Q28 PolarHBondContact O-N 2.88Å; Q28-S43 PolarHBondContact OE1-OG 3.22Å; Q28-E45 PolarHBondContact NE2-OE1 3.4Å; Q28-E45 PolarHBondContact OE1-OE1 3.42Å
29V90.3Very high93.6Very high99 Ų9968 Ų6860%0.635%0.353SS*.SBendtrans-98.7-34.2-171.8179.40000112.3S27S27-V29 PolarHBondContact OG-N 2.97Å
30V91.2Very high93.5Very high53 Ų5370.6 Ų70.632%0.32137%0.367SS..SBendtrans-124.8122.1-177.5-173.40000109.6R32 H33V30-R32 PolarHBondContact O-N 3.35Å; V30-H33 HydrophobicContact CB-CB 4.05Å; V30-H33 HydrophobicContact CG1-CB 4.12Å; V30-H33 WeakPolarHBondContact CG1-ND1 3.38Å; V30-H33 PolarHBondContact O-N 3.42Å
31E89.9Confident93.4Very high149 Ų14976.9 Ų76.970%0.69639%0.39SS*.THydrogen-bonded Turntrans-57.3138.3-179.5-153.8-158.3135.500111.1H33E31-H33 PolarHBondContact O-CD2 3.04Å; E31-H33 PolarHBondContact O-N 2.93Å
32R90.6Very high93.2Very high229 Ų22974.8 Ų74.886%0.86438%0.376SS*.THydrogen-bonded Turntrans58.418.6176.1-57.2171.9-171.8-150.1-4114.8V30V30-R32 PolarHBondContact O-N 3.35Å
33H92Very high93Very high87 Ų8774.8 Ų74.840%0.40338%0.377SS..  trans-103.7144.8174.9-79.1-154.8000110.7S27 V30 E31 K35S27-H33 WeakPolarHBondContact CB-O 3.23Å; S27-H33 PolarHBondContact N-O 3.01Å; V30-H33 HydrophobicContact CB-CB 4.05Å; V30-H33 HydrophobicContact CG1-CB 4.12Å; V30-H33 WeakPolarHBondContact CG1-ND1 3.38Å; V30-H33 PolarHBondContact O-N 3.42Å; E31-H33 PolarHBondContact O-CD2 3.04Å; E31-H33 PolarHBondContact O-N 2.93Å; H33-K35 WeakPolarHBondContact ND1-CE 3.42Å
34N92.9Very high92.9Very high73 Ų7380.2 Ų80.239%0.3939%0.393SS..  trans-128111.4169.3-172-18.2000107.3D24 Y25 N68D24-N34 PolarHBondContact OD1-ND2 3.32Å; Y25-N34 PolarHBondContact O-OD1 3.42Å; N34-N68 PolarHBondContact OD1-ND2 2.86Å
35K94.3Very high92.8Very high74 Ų7482 Ų8232%0.32240%0.399SS..  trans-127147.2-174.9-64.6-179.6-179.8174.30108.8H33 E37 V40 N68H33-K35 WeakPolarHBondContact ND1-CE 3.42Å; K35-E37 PolarHBondContact O-N 2.83Å; K35-V40 HydrophobicContact CB-CG2 3.62Å; K35-V40 HydrophobicContact CD-CG2 3.85Å; K35-V40 HydrophobicContact CG-CG2 4.36Å; K35-N68 PolarHBondContact O-ND2 3.43Å
36P96.5Very high92.7Very high35 Ų3579.4 Ų79.423%0.22739%0.389CS..  trans-62.1108.4174.724-31.8000110.2V38 E39 V40 S69 L117 T119P36-V38 PolarHBondContact O-N 2.83Å; P36-E39 HydrophobicContact CB-CB 4.44Å; P36-E39 HydrophobicContact CB-CG 4.27Å; P36-E39 HydrophobicContact CG-CB 4.08Å; P36-E39 HydrophobicContact CG-CG 4.02Å; P36-E39 PolarHBondContact O-N 3.32Å; P36-V40 PolarHBondContact O-N 3Å; P36-V40 VanDerWaalsContact O-N 3.13Å; P36-S69 VanDerWaalsContact CA-OG 3.25Å; P36-S69 WeakPolarHBondContact CA-OG 3.35Å; P36-S69 WeakPolarHBondContact CB-OG 3.41Å; P36-L117 HydrophobicContact CB-CD1 4.16Å; P36-L117 HydrophobicContact CB-CD2 4.4Å; P36-L117 HydrophobicContact CG-CD2 4.2Å; P36-T119 HydrophobicContact CB-CG2 4.17Å
37E95.7Very high92.9Very high1 Ų177.6 Ų77.61%0.00537%0.372CS..Hα-helixtrans-62.9-27.4-175.2-72.3-59152.900112.1K35 E39 R41 S42 M46 L47 V67 N68 S69K35-E37 PolarHBondContact O-N 2.83Å; E37-E39 PolarHBondContact O-N 2.68Å; E37-R41 WeakPolarHBondContact O-CA 3.38Å; E37-R41 PolarHBondContact O-N 3.02Å; E37-S42 PolarHBondContact OE2-OG 3.33Å; E37-M46 HydrophobicContact CB-CB 4.13Å; E37-M46 HydrophobicContact CG-CB 4.16Å; E37-M46 HydrophobicContact CG-CG 4.43Å; E37-L47 WeakPolarHBondContact O-CD2 3.47Å; E37-V67 HydrophobicContact CG-CG1 4.37Å; E37-N68 PolarHBondContact N-OD1 3.27Å; E37-S69 PolarHBondContact N-OG 3.43Å
38V96.4Very high93Very high2 Ų281.8 Ų81.81%0.01239%0.393CS..Hα-helixtrans-63.2-26.7173.977.30000113.3P36 E64 S66 S69 R71 L117P36-V38 PolarHBondContact O-N 2.83Å; V38-E64 HydrophobicContact CG2-CB 3.63Å; V38-S66 PolarHBondContact N-OG 3Å; V38-S69 WeakPolarHBondContact CG1-OG 3.48Å; V38-S69 PolarHBondContact N-OG 2.79Å; V38-R71 HydrophobicContact CG1-CB 4.03Å; V38-R71 HydrophobicContact CG2-CB 3.9Å; V38-L117 HydrophobicContact CG1-CD1 3.61Å
39E96.1Very high93.3Very high61 Ų6184.1 Ų84.129%0.28541%0.409SS..Hα-helixtrans-89.3-46.7176.6-68.1-65.9155.600111.9P36 E37 R71 R105 L117P36-E39 HydrophobicContact CB-CB 4.44Å; P36-E39 HydrophobicContact CB-CG 4.27Å; P36-E39 HydrophobicContact CG-CB 4.08Å; P36-E39 HydrophobicContact CG-CG 4.02Å; P36-E39 PolarHBondContact O-N 3.32Å; E37-E39 PolarHBondContact O-N 2.68Å; E39-R71 WeakPolarHBondContact OE1-CD 3.22Å; E39-R71 IonicContact OE1-CZ 3.88Å; E39-R71 IonicContact OE1-NH1 3.84Å; E39-R71 PolarHBondContact OE1-NH1 2.87Å; E39-R71 IonicContact OE2-NH1 2.68Å; E39-R71 PolarHBondContact OE2-NH1 3.24Å; E39-R105 IonicContact OE1-CZ 3.69Å; E39-R105 IonicContact OE1-NE 3.53Å; E39-R105 PolarHBondContact OE1-NE 3.4Å; E39-R105 IonicContact OE1-NH2 2.78Å; E39-R105 PolarHBondContact OE1-NH2 2.83Å; E39-R105 IonicContact OE2-CZ 3.59Å; E39-R105 IonicContact OE2-NE 2.68Å; E39-R105 IonicContact OE2-NH2 2.79Å; E39-R105 PolarHBondContact OE2-NH2 3.03Å; E39-L117 HydrophobicContact CG-CD1 4.01Å; E39-L117 HydrophobicContact CG-CD2 3.92Å
40V94.7Very high93.7Very high67 Ų6783.1 Ų83.141%0.40640%0.404SS..Hα-helixtrans-76.6-35.7-174.4-172.40000111.5K35 P36 S42K35-V40 HydrophobicContact CB-CG2 3.62Å; K35-V40 HydrophobicContact CD-CG2 3.85Å; K35-V40 HydrophobicContact CG-CG2 4.36Å; P36-V40 PolarHBondContact O-N 3Å; P36-V40 VanDerWaalsContact O-N 3.13Å; V40-S42 PolarHBondContact O-N 3.29Å
41R93Very high94Very high137 Ų13783.8 Ų83.852%0.51741%0.408SS..  trans51.842.6-179-61.5180161.4-168.4-6.1112.5E37 L47 E64E37-R41 WeakPolarHBondContact O-CA 3.38Å; E37-R41 PolarHBondContact O-N 3.02Å; R41-L47 HydrophobicContact CB-CD1 3.95Å; R41-L47 HydrophobicContact CG-CD1 3.86Å; R41-L47 HydrophobicContact CG-CD2 4.2Å; R41-E64 IonicContact CZ-OE1 3.88Å; R41-E64 IonicContact NH2-OE1 3.78Å; R41-E64 PolarHBondContact NH2-OE1 3.32Å
42S89.4Confident94.4Very high43 Ų4380.7 Ų80.730%0.30140%0.399SS..  trans-71-39.7-174.270.90000112.4E37 V40E37-S42 PolarHBondContact OE2-OG 3.33Å; V40-S42 PolarHBondContact O-N 3.29Å
43S89.6Confident94.7Very high17 Ų1770.9 Ų70.912%0.11936%0.364CS..  trans-126.9128.3179.2-62.40000110.4Q28 E45 M46Q28-S43 PolarHBondContact OE1-OG 3.22Å; S43-E45 VanDerWaalsContact C-N 3.25Å; S43-E45 PolarHBondContact O-N 3.46Å; S43-M46 PolarHBondContact O-N 2.86Å
44K92.7Very high94.9Very high192 Ų19270.4 Ų70.484%0.83537%0.37SS*.G310 helixtrans-64.5-30.1179.1-75-175.3176179.40112.9M46 L47K44-M46 PolarHBondContact O-N 3.44Å; K44-L47 PolarHBondContact O-N 2.91Å
45E93.4Very high95Very high135 Ų13569.6 Ų69.663%0.63136%0.362SS*.G310 helixtrans-66.5-20.9178.872.3-147.3-149.400113.5Q28 S43 L47Q28-E45 PolarHBondContact NE2-OE1 3.4Å; Q28-E45 PolarHBondContact OE1-OE1 3.42Å; S43-E45 VanDerWaalsContact C-N 3.25Å; S43-E45 PolarHBondContact O-N 3.46Å; E45-L47 VanDerWaalsContact C-N 3.35Å
46M93.2Very high94.9Very high16 Ų1669.3 Ų69.38%0.07936%0.364CS..G310 helixtrans-85.8-11.3177.6-60-52.6158.400112.9Y25 E37 S43 K44 S66 V67Y25-M46 HydrophobicContact CD1-SD 4.31Å; Y25-M46 HydrophobicContact CE1-CE 3.58Å; Y25-M46 HydrophobicContact CE1-CG 4.48Å; Y25-M46 HydrophobicContact CE1-SD 3.76Å; Y25-M46 HydrophobicContact CE2-CE 4.27Å; Y25-M46 HydrophobicContact CE2-SD 4.29Å; Y25-M46 WeakPolarHBondContact OH-CE 3.4Å; E37-M46 HydrophobicContact CB-CB 4.13Å; E37-M46 HydrophobicContact CG-CB 4.16Å; E37-M46 HydrophobicContact CG-CG 4.43Å; S43-M46 PolarHBondContact O-N 2.86Å; K44-M46 PolarHBondContact O-N 3.44Å; M46-S66 CarbonylContact O-C 3.53Å; M46-S66 WeakPolarHBondContact O-CA 3.23Å; M46-S66 WeakPolarHBondContact O-CB 3.32Å; M46-V67 HydrophobicContact CB-CG1 4.13Å; M46-V67 HydrophobicContact CG-CG1 4.29Å; M46-V67 PolarHBondContact O-N 2.88Å; M46-V67 VanDerWaalsContact O-N 3.07Å; M46-V67 HydrophobicContact SD-CB 4.22Å; M46-V67 HydrophobicContact SD-CG1 3.78Å
47L95.9Very high94.7Very high49 Ų4976.3 Ų76.326%0.25739%0.394SS..BIsolated β-bridgetrans-98.7128.6-177.8-57.6176.9000109.3E37 R41 K44 E45E37-L47 WeakPolarHBondContact O-CD2 3.47Å; R41-L47 HydrophobicContact CB-CD1 3.95Å; R41-L47 HydrophobicContact CG-CD1 3.86Å; R41-L47 HydrophobicContact CG-CD2 4.2Å; K44-L47 PolarHBondContact O-N 2.91Å; E45-L47 VanDerWaalsContact C-N 3.35Å
48L96.1Very high94.5Very high104 Ų10482 Ų8255%0.54542%0.418SS..PPolyproline II helixtrans-86.9167.5169.4-56-173.3000110.3P50 T65L48-P50 WeakPolarHBondContact O-CD 3.37Å; L48-T65 WeakPolarHBondContact CB-O 3.42Å; L48-T65 HydrophobicContact CD1-CG2 3.61Å; L48-T65 HydrophobicContact CG-CG2 4.29Å; L48-T65 PolarHBondContact N-O 3.29Å
49N96Very high94.4Very high144 Ų14482.5 Ų82.577%0.7742%0.42SS*.PPolyproline II helixtrans-63.9124.4176.7-69.5-24.4000110.4V51N49-V51 PolarHBondContact O-N 2.98Å
50P97.5Very high94.4Very high78 Ų7883 Ų8351%0.50642%0.42SS..PPolyproline II helixtrans-61.3136.2172.8-23.635000111.4L48 L62 V63 E64L48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-L62 HydrophobicContact CB-CD1 3.98Å; P50-V63 WeakPolarHBondContact CA-O 3.43Å; P50-E64 HydrophobicContact CB-CG 4.11Å; P50-E64 HydrophobicContact CG-CG 4.37Å
51V97.9Very high94.6Very high67 Ų6779.8 Ų79.841%0.40640%0.4SS..EExtended strand (participates in β ladder)trans-113.8132.8178.2-177.10000109.1T15 N49 I53 V63T15-V51 HydrophobicContact CG2-CG1 4.35Å; N49-V51 PolarHBondContact O-N 2.98Å; V51-I53 HydrophobicContact CG1-CG1 4.3Å; V51-V63 PolarHBondContact N-O 2.94Å; V51-V63 PolarHBondContact O-N 2.95Å
52V97.9Very high94.8Very high83 Ų8374.3 Ų74.350%0.50338%0.381SS..EExtended strand (participates in β ladder)trans-113.2127.2173.7-179.20000109R60 V61 L62V52-R60 HydrophobicContact CG1-CB 4.27Å; V52-V61 WeakPolarHBondContact CA-O 3.37Å; V52-L62 HydrophobicContact CG2-CB 4.41Å; V52-L62 HydrophobicContact CG2-CD1 3.66Å
53I98Very high95.2Very high23 Ų2372.3 Ų72.312%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-114.2119.3176-52.8160.7000106.1Y8 A11 V12 T15 V51 R60 V61Y8-I53 HydrophobicContact CD2-CG2 3.86Å; Y8-I53 HydrophobicContact CE2-CB 4.42Å; Y8-I53 HydrophobicContact CE2-CG2 3.87Å; A11-I53 HydrophobicContact CB-CG2 4.15Å; V12-I53 HydrophobicContact CB-CD1 4.31Å; V12-I53 HydrophobicContact CG2-CB 4.16Å; V12-I53 HydrophobicContact CG2-CD1 3.87Å; V12-I53 HydrophobicContact CG2-CG2 3.93Å; T15-I53 HydrophobicContact CG2-CD1 3.95Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.4Å; V51-I53 HydrophobicContact CG1-CG1 4.3Å; I53-R60 CarbonylContact O-C 3.47Å; I53-R60 VanDerWaalsContact O-CA 3.22Å; I53-R60 WeakPolarHBondContact O-CA 3.32Å; I53-V61 PolarHBondContact N-O 3.35Å; I53-V61 PolarHBondContact O-N 2.85Å
54S96.4Very high95.6Very high78 Ų7872 Ų7255%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-120.4130.7-17755.70000110.8E59S54-E59 WeakPolarHBondContact CA-O 3.45Å
55R94.6Very high95.9Very high56 Ų5663.6 Ų63.621%0.21133%0.328CS..SBendtrans-80.4-38.9167.5-175.3-173.2176.7178.59.8111M1 T4 Y8 E59M1-R55 PolarHBondContact O-NH2 3.17Å; T4-R55 PolarHBondContact OG1-NE 3.37Å; Y8-R55 HydrophobicContact CD1-CB 3.98Å; Y8-R55 HydrophobicContact CD1-CG 4.47Å; Y8-R55 HydrophobicContact CD2-CB 3.8Å; Y8-R55 HydrophobicContact CE1-CB 4.24Å; Y8-R55 HydrophobicContact CE2-CB 4.08Å; Y8-R55 HydrophobicContact CG-CB 3.73Å; Y8-R55 HydrophobicContact CG-CG 4.27Å; R55-E59 HydrophobicContact CB-CB 4.05Å; R55-E59 WeakPolarHBondContact CD-OE1 3.46Å; R55-E59 IonicContact CZ-OE1 2.73Å; R55-E59 PolarHBondContact N-O 2.91Å; R55-E59 IonicContact NE-OE1 3.05Å; R55-E59 IonicContact NH1-OE1 2.97Å; R55-E59 PolarHBondContact NH1-OE1 2.76Å; R55-E59 IonicContact NH1-OE2 3.32Å
56N92.8Very high96Very high67 Ų6757.2 Ų57.236%0.35830%0.299SS..SBendtrans-155.9-172.7174.657.854.1000108.8K58 E59N56-K58 PolarHBondContact O-N 3.47Å; N56-K58 WeakPolarHBondContact OD1-CA 3.32Å; N56-K58 PolarHBondContact OD1-N 2.71Å; N56-E59 PolarHBondContact N-O 3.22Å; N56-E59 PolarHBondContact ND2-OE2 2.96Å; N56-E59 PolarHBondContact OD1-N 2.85Å
57E91.2Very high96.2Very high183 Ų18358.3 Ų58.386%0.85531%0.306SS*.SBendtrans-60-29.8-178.5-63.1178.1173.100113.8R60E57-R60 PolarHBondContact O-NH1 3.33Å
58K91.4Very high96.2Very high120 Ų12056 Ų5652%0.52229%0.294SS..SBendtrans-95.6-39.6-175.3-63.3-174.4176.1-174.90112.9N56 S75N56-K58 PolarHBondContact O-N 3.47Å; N56-K58 WeakPolarHBondContact OD1-CA 3.32Å; N56-K58 PolarHBondContact OD1-N 2.71Å; K58-S75 WeakPolarHBondContact O-CB 3.41Å; K58-S75 PolarHBondContact O-OG 2.92Å
59E93.8Very high96.3Very high12 Ų1251 Ų516%0.05627%0.268CS..  trans-95.3107.2-177.7-70.717074.900110.5S54 R55 N56 S75 K77S54-E59 WeakPolarHBondContact CA-O 3.45Å; R55-E59 HydrophobicContact CB-CB 4.05Å; R55-E59 WeakPolarHBondContact CD-OE1 3.46Å; R55-E59 IonicContact CZ-OE1 2.73Å; R55-E59 PolarHBondContact N-O 2.91Å; R55-E59 IonicContact NE-OE1 3.05Å; R55-E59 IonicContact NH1-OE1 2.97Å; R55-E59 PolarHBondContact NH1-OE1 2.76Å; R55-E59 IonicContact NH1-OE2 3.32Å; N56-E59 PolarHBondContact N-O 3.22Å; N56-E59 PolarHBondContact ND2-OE2 2.96Å; N56-E59 PolarHBondContact OD1-N 2.85Å; E59-S75 WeakPolarHBondContact CA-O 3.49Å; E59-K77 HydrophobicContact CG-CB 3.75Å
60R96.8Very high96.4Very high72 Ų7244.2 Ų44.227%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-149.6147.9179.860.4179.5-174-83.4-11.2112.2Y8 V52 I53 E57 S75 G111 F112Y8-R60 WeakPolarHBondContact OH-CA 3.49Å; V52-R60 HydrophobicContact CG1-CB 4.27Å; I53-R60 CarbonylContact O-C 3.47Å; I53-R60 VanDerWaalsContact O-CA 3.22Å; I53-R60 WeakPolarHBondContact O-CA 3.32Å; E57-R60 PolarHBondContact O-NH1 3.33Å; R60-S75 PolarHBondContact N-O 2.78Å; R60-S75 WeakPolarHBondContact O-CB 3.42Å; R60-S75 PolarHBondContact O-N 3.17Å; R60-G111 PolarHBondContact NH2-O 3.04Å; R60-F112 HydrophobicContact CG-CE1 4.11Å
61V98.2Very high96.4Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-112.3128.9169.1-177.10000109.1Y8 V12 V52 I53 V63 V72 S73 I74 M139Y8-V61 VanDerWaalsContact OH-CG2 3.28Å; Y8-V61 WeakPolarHBondContact OH-CG2 3.32Å; Y8-V61 PolarHBondContact OH-N 2.79Å; V12-V61 HydrophobicContact CG1-CG2 4.38Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.03Å; V52-V61 WeakPolarHBondContact CA-O 3.37Å; I53-V61 PolarHBondContact N-O 3.35Å; I53-V61 PolarHBondContact O-N 2.85Å; V61-V63 HydrophobicContact CG1-CG2 3.95Å; V61-V72 HydrophobicContact CG1-CG1 3.61Å; V61-S73 CarbonylContact C-O 3.52Å; V61-S73 VanDerWaalsContact CA-O 3.3Å; V61-S73 WeakPolarHBondContact CA-O 3.39Å; V61-I74 HydrophobicContact CG1-CG1 4.36Å; V61-I74 HydrophobicContact CG2-CG1 4.14Å; V61-I74 HydrophobicContact CG2-CG2 4.37Å; V61-M139 HydrophobicContact CG2-CE 3.41Å; V61-M139 VanDerWaalsContact CG2-CE 3.41Å; V61-M139 HydrophobicContact CG2-SD 3.87Å
62L98.4Very high96.4Very high21 Ų2138.1 Ų38.111%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-99.4123.9167.1167.667.4000108.5P50 V52 E64 V72 S73 F112P50-L62 HydrophobicContact CB-CD1 3.98Å; V52-L62 HydrophobicContact CG2-CB 4.41Å; V52-L62 HydrophobicContact CG2-CD1 3.66Å; L62-E64 HydrophobicContact CD1-CG 4.04Å; L62-E64 HydrophobicContact CD2-CG 4.2Å; L62-E64 HydrophobicContact CG-CG 3.97Å; L62-V72 CarbonylContact O-C 3.45Å; L62-V72 WeakPolarHBondContact O-CA 3.45Å; L62-S73 PolarHBondContact N-O 3.15Å; L62-S73 PolarHBondContact O-N 3.26Å; L62-F112 HydrophobicContact CB-CE1 3.61Å; L62-F112 HydrophobicContact CB-CE2 4.14Å; L62-F112 HydrophobicContact CB-CZ 3.37Å; L62-F112 HydrophobicContact CD2-CE2 3.74Å; L62-F112 HydrophobicContact CD2-CZ 3.81Å; L62-F112 HydrophobicContact CG-CZ 4.22Å
63V98.5Very high96.4Very high1 Ų134.2 Ų34.21%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-112.2114.9174.4-175.30000108T15 L16 A19 P50 V51 V61 I70T15-V63 HydrophobicContact CG2-CG2 4.38Å; L16-V63 HydrophobicContact CD2-CG1 4.28Å; L16-V63 HydrophobicContact CD2-CG2 3.96Å; A19-V63 HydrophobicContact CB-CG1 3.99Å; P50-V63 WeakPolarHBondContact CA-O 3.43Å; V51-V63 PolarHBondContact N-O 2.94Å; V51-V63 PolarHBondContact O-N 2.95Å; V61-V63 HydrophobicContact CG1-CG2 3.95Å; V63-I70 HydrophobicContact CG1-CG2 4.09Å
64E98.1Very high96.4Very high11 Ų1133.1 Ų33.15%0.05116%0.162CC..EExtended strand (participates in β ladder)trans-109.7121.6173.2-60.6170.982.600107.9V38 R41 P50 L62 I70 R71V38-E64 HydrophobicContact CG2-CB 3.63Å; R41-E64 IonicContact CZ-OE1 3.88Å; R41-E64 IonicContact NH2-OE1 3.78Å; R41-E64 PolarHBondContact NH2-OE1 3.32Å; P50-E64 HydrophobicContact CB-CG 4.11Å; P50-E64 HydrophobicContact CG-CG 4.37Å; L62-E64 HydrophobicContact CD1-CG 4.04Å; L62-E64 HydrophobicContact CD2-CG 4.2Å; L62-E64 HydrophobicContact CG-CG 3.97Å; E64-I70 CarbonylContact O-C 3.49Å; E64-I70 WeakPolarHBondContact O-CA 3.38Å; E64-R71 HydrophobicContact CB-CB 4.31Å; E64-R71 VanDerWaalsContact CD-NH2 3.27Å; E64-R71 PolarHBondContact N-O 3.36Å; E64-R71 PolarHBondContact O-N 2.97Å; E64-R71 IonicContact OE1-CZ 2.86Å; E64-R71 IonicContact OE1-NE 3.2Å; E64-R71 IonicContact OE1-NH2 2.65Å; E64-R71 PolarHBondContact OE1-NH2 2.89Å; E64-R71 IonicContact OE2-CZ 3.04Å; E64-R71 VanDerWaalsContact OE2-CZ 3.32Å; E64-R71 IonicContact OE2-NE 3.95Å; E64-R71 PolarHBondContact OE2-NE 3.35Å; E64-R71 IonicContact OE2-NH2 3.46Å; E64-R71 PolarHBondContact OE2-NH2 2.84Å
65T97.5Very high96.4Very high15 Ų1530 Ų309%0.09214%0.14CC..EExtended strand (participates in β ladder)trans-115.9144.7-176.2-54.40000110.1A19 L48 I70A19-T65 HydrophobicContact CB-CG2 4.44Å; A19-T65 WeakPolarHBondContact CB-OG1 3.35Å; L48-T65 WeakPolarHBondContact CB-O 3.42Å; L48-T65 HydrophobicContact CD1-CG2 3.61Å; L48-T65 HydrophobicContact CG-CG2 4.29Å; L48-T65 PolarHBondContact N-O 3.29Å; T65-I70 HydrophobicContact CG2-CD1 4.46Å; T65-I70 HydrophobicContact CG2-CG1 3.8Å
66S96.9Very high96.4Very high2 Ų228.1 Ų28.11%0.01413%0.134CC..BIsolated β-bridgetrans-133.5178.3169.470.10000109.9V38 M46 N68 S69V38-S66 PolarHBondContact N-OG 3Å; M46-S66 CarbonylContact O-C 3.53Å; M46-S66 WeakPolarHBondContact O-CA 3.23Å; M46-S66 WeakPolarHBondContact O-CB 3.32Å; S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 3.36Å; S66-S69 PolarHBondContact N-O 2.76Å; S66-S69 PolarHBondContact OG-N 3.41Å; S66-S69 VanDerWaalsContact OG-N 3.16Å; S66-S69 PolarHBondContact OG-O 3.02Å; S66-S69 PolarHBondContact OG-OG 2.92Å
67V96.1Very high96.3Very high38 Ų3829 Ų2923%0.2314%0.135CC..SBendtrans-57.5-36.6179.7680000114V22 T23 Y25 E37 M46V22-V67 WeakPolarHBondContact CA-O 3.28Å; T23-V67 PolarHBondContact N-O 3.11Å; Y25-V67 HydrophobicContact CD1-CG1 3.91Å; Y25-V67 HydrophobicContact CD2-CG1 4.08Å; Y25-V67 HydrophobicContact CD2-CG2 3.76Å; Y25-V67 HydrophobicContact CE2-CG2 4.42Å; Y25-V67 HydrophobicContact CG-CG1 3.62Å; Y25-V67 HydrophobicContact CG-CG2 4.11Å; E37-V67 HydrophobicContact CG-CG1 4.37Å; M46-V67 HydrophobicContact CB-CG1 4.13Å; M46-V67 HydrophobicContact CG-CG1 4.29Å; M46-V67 PolarHBondContact O-N 2.88Å; M46-V67 VanDerWaalsContact O-N 3.07Å; M46-V67 HydrophobicContact SD-CB 4.22Å; M46-V67 HydrophobicContact SD-CG1 3.78Å
68N96.3Very high96.3Very high1 Ų122 Ų221%0.00510%0.102CC..SBendtrans-120.7-3.9-17369.8-3.3000114.5T23 N34 K35 E37 S66 T119 N120T23-N68 VanDerWaalsContact O-CA 3.25Å; T23-N68 WeakPolarHBondContact O-CA 3.4Å; T23-N68 WeakPolarHBondContact O-CB 3.31Å; N34-N68 PolarHBondContact OD1-ND2 2.86Å; K35-N68 PolarHBondContact O-ND2 3.43Å; E37-N68 PolarHBondContact N-OD1 3.27Å; S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 3.36Å; N68-T119 CarbonylContact O-C 3.59Å; N68-T119 WeakPolarHBondContact O-CA 3.35Å; N68-N120 PolarHBondContact O-N 3.16Å; N68-N120 PolarHBondContact O-OD1 3.39Å
69S97.5Very high96.2Very high0 Ų019.4 Ų19.40%010%0.103CC..EExtended strand (participates in β ladder)trans-158.5154.4-175.454.60000113.5P36 E37 V38 S66 I118P36-S69 VanDerWaalsContact CA-OG 3.25Å; P36-S69 WeakPolarHBondContact CA-OG 3.35Å; P36-S69 WeakPolarHBondContact CB-OG 3.41Å; E37-S69 PolarHBondContact N-OG 3.43Å; V38-S69 WeakPolarHBondContact CG1-OG 3.48Å; V38-S69 PolarHBondContact N-OG 2.79Å; S66-S69 PolarHBondContact N-O 2.76Å; S66-S69 PolarHBondContact OG-N 3.41Å; S66-S69 VanDerWaalsContact OG-N 3.16Å; S66-S69 PolarHBondContact OG-O 3.02Å; S66-S69 PolarHBondContact OG-OG 2.92Å; S69-I118 CarbonylContact C-O 3.55Å; S69-I118 WeakPolarHBondContact CA-O 3.2Å
70I97.9Very high96.2Very high0 Ų021.8 Ų21.80%012%0.116CC..EExtended strand (participates in β ladder)trans-128.2139.4177.5-66155.8000109A19 L20 V22 V63 E64 T65 V72 L117 I118A19-I70 HydrophobicContact CB-CD1 3.97Å; A19-I70 HydrophobicContact CB-CG1 4.46Å; A19-I70 WeakPolarHBondContact O-CD1 3.36Å; L20-I70 VanDerWaalsContact CA-CD1 3.46Å; L20-I70 HydrophobicContact CB-CD1 4.13Å; L20-I70 HydrophobicContact CD2-CD1 3.77Å; L20-I70 HydrophobicContact CG-CD1 3.56Å; V22-I70 HydrophobicContact CG1-CD1 3.88Å; V22-I70 HydrophobicContact CG1-CG1 3.94Å; V63-I70 HydrophobicContact CG1-CG2 4.09Å; E64-I70 CarbonylContact O-C 3.49Å; E64-I70 WeakPolarHBondContact O-CA 3.38Å; T65-I70 HydrophobicContact CG2-CD1 4.46Å; T65-I70 HydrophobicContact CG2-CG1 3.8Å; I70-V72 HydrophobicContact CG2-CG2 3.76Å; I70-L117 WeakPolarHBondContact O-CA 3.49Å; I70-I118 PolarHBondContact N-O 3.48Å; I70-I118 PolarHBondContact O-N 3.19Å
71R98.3Very high96.1Very high18 Ų1824.9 Ų24.97%0.06814%0.138CC..EExtended strand (participates in β ladder)trans-112.3122.4167.8-179.2163.165.6-150.1-1.8109.9V38 E39 E64 V109 F116V38-R71 HydrophobicContact CG1-CB 4.03Å; V38-R71 HydrophobicContact CG2-CB 3.9Å; E39-R71 WeakPolarHBondContact OE1-CD 3.22Å; E39-R71 IonicContact OE1-CZ 3.88Å; E39-R71 IonicContact OE1-NH1 3.84Å; E39-R71 PolarHBondContact OE1-NH1 2.87Å; E39-R71 IonicContact OE2-NH1 2.68Å; E39-R71 PolarHBondContact OE2-NH1 3.24Å; E64-R71 HydrophobicContact CB-CB 4.31Å; E64-R71 VanDerWaalsContact CD-NH2 3.27Å; E64-R71 PolarHBondContact N-O 3.36Å; E64-R71 PolarHBondContact O-N 2.97Å; E64-R71 IonicContact OE1-CZ 2.86Å; E64-R71 IonicContact OE1-NE 3.2Å; E64-R71 IonicContact OE1-NH2 2.65Å; E64-R71 PolarHBondContact OE1-NH2 2.89Å; E64-R71 IonicContact OE2-CZ 3.04Å; E64-R71 VanDerWaalsContact OE2-CZ 3.32Å; E64-R71 IonicContact OE2-NE 3.95Å; E64-R71 PolarHBondContact OE2-NE 3.35Å; E64-R71 IonicContact OE2-NH2 3.46Å; E64-R71 PolarHBondContact OE2-NH2 2.84Å; R71-V109 HydrophobicContact CG-CG2 4.32Å; R71-F116 VanDerWaalsContact CA-O 3.32Å; R71-F116 WeakPolarHBondContact CA-O 3.3Å
72V98.3Very high95.9Very high0 Ų027.2 Ų27.20%015%0.15CC..EExtended strand (participates in β ladder)trans-111.5117.4177.3-172.90000107.9L16 V61 L62 I70 I74 S115 F116 V135L16-V72 HydrophobicContact CD2-CB 4.48Å; L16-V72 HydrophobicContact CD2-CG1 4.11Å; L16-V72 HydrophobicContact CD2-CG2 3.51Å; V61-V72 HydrophobicContact CG1-CG1 3.61Å; L62-V72 CarbonylContact O-C 3.45Å; L62-V72 WeakPolarHBondContact O-CA 3.45Å; I70-V72 HydrophobicContact CG2-CG2 3.76Å; V72-I74 HydrophobicContact CG1-CG1 4.35Å; V72-S115 CarbonylContact O-C 3.51Å; V72-S115 WeakPolarHBondContact O-CA 3.35Å; V72-F116 HydrophobicContact CB-CB 4.35Å; V72-F116 PolarHBondContact N-O 3.37Å; V72-F116 PolarHBondContact O-N 3.05Å; V72-V135 HydrophobicContact CG1-CG1 4.39Å
73S98.4Very high95.7Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-117.7129.1179.9-56.60000110.4V61 L62 V109 F112 I114 S115V61-S73 CarbonylContact C-O 3.52Å; V61-S73 VanDerWaalsContact CA-O 3.3Å; V61-S73 WeakPolarHBondContact CA-O 3.39Å; L62-S73 PolarHBondContact N-O 3.15Å; L62-S73 PolarHBondContact O-N 3.26Å; S73-V109 WeakPolarHBondContact OG-CG2 3.34Å; S73-F112 WeakPolarHBondContact O-CD1 3.44Å; S73-I114 WeakPolarHBondContact CA-O 3.28Å; S73-S115 WeakPolarHBondContact CB-OG 3.41Å; S73-S115 PolarHBondContact OG-OG 2.77Å
74I97.7Very high95.6Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-117.8129.3-170.4-54.7169.6000108.9V61 V72 L76 D113 I114 F116 V135 F138 M139V61-I74 HydrophobicContact CG1-CG1 4.36Å; V61-I74 HydrophobicContact CG2-CG1 4.14Å; V61-I74 HydrophobicContact CG2-CG2 4.37Å; V72-I74 HydrophobicContact CG1-CG1 4.35Å; I74-L76 HydrophobicContact CG2-CD2 3.7Å; I74-L76 HydrophobicContact CG2-CG 4.22Å; I74-D113 PolarHBondContact O-N 3.02Å; I74-I114 HydrophobicContact CB-CG2 3.97Å; I74-I114 HydrophobicContact CD1-CG2 4.39Å; I74-I114 PolarHBondContact N-O 3.24Å; I74-I114 PolarHBondContact O-N 3.36Å; I74-F116 HydrophobicContact CD1-CD2 4.17Å; I74-F116 HydrophobicContact CD1-CE2 3.75Å; I74-V135 HydrophobicContact CD1-CG1 4.38Å; I74-F138 HydrophobicContact CD1-CD1 4.22Å; I74-F138 HydrophobicContact CD1-CE1 4.35Å; I74-M139 HydrophobicContact CD1-CG 3.73Å; I74-M139 HydrophobicContact CD1-SD 4.06Å; I74-M139 HydrophobicContact CG2-CG 4.42Å
75S96.6Very high95.5Very high13 Ų1335.7 Ų35.79%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-105.5120.6170.8-175.70000107.7K58 E59 R60 D113K58-S75 WeakPolarHBondContact O-CB 3.41Å; K58-S75 PolarHBondContact O-OG 2.92Å; E59-S75 WeakPolarHBondContact CA-O 3.49Å; R60-S75 PolarHBondContact N-O 2.78Å; R60-S75 WeakPolarHBondContact O-CB 3.42Å; R60-S75 PolarHBondContact O-N 3.17Å; S75-D113 WeakPolarHBondContact CA-OD2 3.35Å
76L94Very high95.4Very high15 Ų1536.4 Ų36.48%0.07919%0.193CC..  trans-98.1158.8-172.4-64.2173000111.3I74 Q78 M91 D113 I142I74-L76 HydrophobicContact CG2-CD2 3.7Å; I74-L76 HydrophobicContact CG2-CG 4.22Å; L76-Q78 PolarHBondContact O-N 2.89Å; L76-M91 HydrophobicContact CD1-CE 3.47Å; L76-M91 VanDerWaalsContact CD1-CE 3.47Å; L76-M91 HydrophobicContact CD1-SD 4.02Å; L76-D113 HydrophobicContact CD1-CB 4.4Å; L76-D113 HydrophobicContact CG-CB 4.47Å; L76-D113 PolarHBondContact N-OD2 2.88Å; L76-I142 HydrophobicContact CD1-CG1 3.81Å; L76-I142 HydrophobicContact CD1-CG2 4.18Å; L76-I142 HydrophobicContact CD2-CG2 3.58Å
77K90Very high95.3Very high86 Ų8636.4 Ų36.437%0.37419%0.193SC..  trans-70.6127.9174.9-173.6-178.9170.2-173.40110.1E59E59-K77 HydrophobicContact CG-CB 3.75Å
78Q90.8Very high95.3Very high37 Ų3738.3 Ų38.317%0.17320%0.199CC..  trans-129103173-63.8167.17.900107.8L76 K84 C87 D113L76-Q78 PolarHBondContact O-N 2.89Å; Q78-K84 HydrophobicContact CB-CB 4.33Å; Q78-C87 HydrophobicContact CG-CB 4.21Å; Q78-C87 PolarHBondContact NE2-SG 3.03Å; Q78-C87 VanDerWaalsContact NE2-SG 3.4Å; Q78-D113 PolarHBondContact NE2-OD1 3.29Å
79A90.4Very high95.2Very high64 Ų6441.7 Ų41.753%0.52922%0.218SC..  trans-80.4-30.1-173.200000113.2E83A79-E83 WeakPolarHBondContact CB-OE2 3.3Å; A79-E83 PolarHBondContact N-OE2 2.82Å
80D94Very high95.1Very high63 Ų6344 Ų4434%0.33723%0.227SC..SBendtrans-145.7173.6178.658.332.3000112.2L82 E83 K84 K150D80-L82 PolarHBondContact O-N 2.87Å; D80-L82 PolarHBondContact OD1-N 2.81Å; D80-E83 PolarHBondContact O-N 2.79Å; D80-E83 PolarHBondContact OD1-N 3.06Å; D80-K84 PolarHBondContact O-N 2.87Å; D80-K150 IonicContact OD1-NZ 3.74Å; D80-K150 PolarHBondContact OD1-NZ 3.09Å; D80-K150 WeakPolarHBondContact OD2-CE 3.17Å; D80-K150 IonicContact OD2-NZ 2.64Å; D80-K150 PolarHBondContact OD2-NZ 2.85Å
81D94.5Very high94.9Very high136 Ų13644 Ų4473%0.72723%0.228SC*.Hα-helixtrans-61.8-29.8-178.5-68.5-34.8000112.7K84 L85D81-K84 PolarHBondContact O-N 3.29Å; D81-L85 PolarHBondContact O-N 2.86Å
82L94.5Very high94.7Very high50 Ų5048.7 Ų48.726%0.26225%0.245SC..Hα-helixtrans-69.4-47.8177177.159.6000110.9D80 K84 L85 L86 K150 L153D80-L82 PolarHBondContact O-N 2.87Å; D80-L82 PolarHBondContact OD1-N 2.81Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.97Å; L82-L85 PolarHBondContact O-N 3.04Å; L82-L86 HydrophobicContact CD1-CD1 4.26Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 3.4Å; L82-K150 HydrophobicContact CD2-CG 3.92Å; L82-K150 HydrophobicContact CG-CG 4.5Å; L82-L153 HydrophobicContact CD1-CD2 3.46Å; L82-L153 VanDerWaalsContact CD1-CD2 3.46Å; L82-L153 HydrophobicContact CD2-CD2 4.05Å; L82-L153 HydrophobicContact CG-CD2 4.31Å
83E94.4Very high94.5Very high22 Ų2253.6 Ų53.610%0.10327%0.267CS..Hα-helixtrans-61.3-38.7173.9-80.6178.1-159.400112A79 D80 L85 L86 C87 I146 K150A79-E83 WeakPolarHBondContact CB-OE2 3.3Å; A79-E83 PolarHBondContact N-OE2 2.82Å; D80-E83 PolarHBondContact O-N 2.79Å; D80-E83 PolarHBondContact OD1-N 3.06Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.94Å; E83-L86 PolarHBondContact O-N 2.64Å; E83-C87 WeakPolarHBondContact O-CB 3.32Å; E83-C87 PolarHBondContact O-N 2.73Å; E83-I146 HydrophobicContact CB-CG2 4.43Å; E83-I146 HydrophobicContact CG-CG2 4.14Å; E83-K150 HydrophobicContact CG-CD 3.81Å; E83-K150 WeakPolarHBondContact OE1-CD 3.18Å; E83-K150 IonicContact OE1-NZ 3.88Å; E83-K150 PolarHBondContact OE1-NZ 2.83Å
84K94.8Very high94.3Very high97 Ų9754.9 Ų54.942%0.42227%0.273SS..Hα-helixtrans-58.6-46.6174.3179.6170.2-178.4-176.20111.5Q78 D80 D81 L82 Q88Q78-K84 HydrophobicContact CB-CB 4.33Å; D80-K84 PolarHBondContact O-N 2.87Å; D81-K84 PolarHBondContact O-N 3.29Å; L82-K84 VanDerWaalsContact C-N 3.29Å; L82-K84 PolarHBondContact O-N 2.97Å; K84-Q88 WeakPolarHBondContact O-CB 3.31Å; K84-Q88 VanDerWaalsContact O-CG 3.23Å; K84-Q88 WeakPolarHBondContact O-CG 3.37Å; K84-Q88 PolarHBondContact O-N 3.05Å
85L95.8Very high94.1Very high92 Ų9256.1 Ų56.148%0.48228%0.279SS..Hα-helixtrans-65.4-43.3177.1-177.664.3000112.2D81 L82 E83 N89D81-L85 PolarHBondContact O-N 2.86Å; L82-L85 PolarHBondContact O-N 3.04Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 2.94Å; L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 VanDerWaalsContact O-CG 3.31Å; L85-N89 PolarHBondContact O-N 3.07Å; L85-N89 PolarHBondContact O-ND2 2.68Å
86L96.1Very high93.9Very high29 Ų2965.2 Ų65.215%0.15231%0.312CS..Hα-helixtrans-62.7-49177.9-71.3172.7000111.3L82 E83 N89 F90 I146 L149 K150L82-L86 HydrophobicContact CD1-CD1 4.26Å; L82-L86 HydrophobicContact CD1-CG 4.25Å; L82-L86 HydrophobicContact CG-CD1 4.09Å; L82-L86 VanDerWaalsContact O-CG 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.37Å; L82-L86 PolarHBondContact O-N 3.4Å; E83-L86 PolarHBondContact O-N 2.64Å; L86-N89 PolarHBondContact O-N 2.93Å; L86-F90 VanDerWaalsContact O-CB 3.32Å; L86-F90 WeakPolarHBondContact O-CB 3.42Å; L86-F90 PolarHBondContact O-N 2.82Å; L86-I146 HydrophobicContact CB-CG2 4.45Å; L86-L149 HydrophobicContact CD1-CB 4.38Å; L86-L149 HydrophobicContact CD2-CB 4.45Å; L86-K150 HydrophobicContact CD1-CB 3.83Å; L86-K150 HydrophobicContact CD1-CG 4.42Å
87C95.5Very high93.8Very high2 Ų270 Ų701%0.01433%0.329CS..Hα-helixtrans-57.5-51.7177.3-177.40000110.8Q78 E83 N89 F90 M91 I146Q78-C87 HydrophobicContact CG-CB 4.21Å; Q78-C87 PolarHBondContact NE2-SG 3.03Å; Q78-C87 VanDerWaalsContact NE2-SG 3.4Å; E83-C87 WeakPolarHBondContact O-CB 3.32Å; E83-C87 PolarHBondContact O-N 2.73Å; C87-N89 VanDerWaalsContact C-N 3.33Å; C87-N89 PolarHBondContact O-N 3.07Å; C87-F90 PolarHBondContact O-N 3.26Å; C87-M91 VanDerWaalsContact O-CG 3.28Å; C87-M91 WeakPolarHBondContact O-CG 3.29Å; C87-M91 PolarHBondContact O-N 3.47Å; C87-I146 HydrophobicContact CB-CD1 4.37Å
88Q94.7Very high93.7Very high78 Ų7866.5 Ų66.536%0.36432%0.315SS..Hα-helixtrans-57.5-43.8178.2-75.9-179.62.400112.9K84 R92K84-Q88 WeakPolarHBondContact O-CB 3.31Å; K84-Q88 VanDerWaalsContact O-CG 3.23Å; K84-Q88 WeakPolarHBondContact O-CG 3.37Å; K84-Q88 PolarHBondContact O-N 3.05Å; Q88-R92 VanDerWaalsContact O-CB 3.23Å; Q88-R92 WeakPolarHBondContact O-CB 3.44Å; Q88-R92 PolarHBondContact O-N 3.34Å
89N94.6Very high93.4Very high73 Ų7371.3 Ų71.339%0.3934%0.338SS..Hα-helixtrans-69.3-40.3179.6-74.3-28.7000112.1L85 L86 C87 R92 F93L85-N89 WeakPolarHBondContact O-CB 3.42Å; L85-N89 VanDerWaalsContact O-CG 3.31Å; L85-N89 PolarHBondContact O-N 3.07Å; L85-N89 PolarHBondContact O-ND2 2.68Å; L86-N89 PolarHBondContact O-N 2.93Å; C87-N89 VanDerWaalsContact C-N 3.33Å; C87-N89 PolarHBondContact O-N 3.07Å; N89-R92 PolarHBondContact O-N 3.33Å; N89-R92 PolarHBondContact OD1-NH1 3.23Å; N89-F93 WeakPolarHBondContact O-CB 3.28Å; N89-F93 PolarHBondContact O-N 2.92Å
90F94.9Very high93.2Very high47 Ų4775.3 Ų75.321%0.20635%0.35CS..Hα-helixtrans-65.3-47.3177.4-168.1-93.4000111.5L86 C87 R92 F93 M94 I142 E145 I146 L149L86-F90 VanDerWaalsContact O-CB 3.32Å; L86-F90 WeakPolarHBondContact O-CB 3.42Å; L86-F90 PolarHBondContact O-N 2.82Å; C87-F90 PolarHBondContact O-N 3.26Å; F90-R92 VanDerWaalsContact C-N 3.34Å; F90-R92 PolarHBondContact O-N 3.23Å; F90-F93 WeakPolarHBondContact O-CB 3.4Å; F90-F93 PolarHBondContact O-N 3.09Å; F90-M94 HydrophobicContact CD1-CE 3.41Å; F90-M94 VanDerWaalsContact CD1-CE 3.41Å; F90-M94 HydrophobicContact CD1-CG 4.39Å; F90-M94 HydrophobicContact CD1-SD 4.02Å; F90-M94 HydrophobicContact CE1-CE 3.4Å; F90-M94 VanDerWaalsContact CE1-CE 3.4Å; F90-M94 HydrophobicContact CE1-CG 4.13Å; F90-M94 HydrophobicContact CE1-SD 3.44Å; F90-M94 WeakPolarHBondContact CE1-SD 3.42Å; F90-M94 HydrophobicContact CZ-SD 4.2Å; F90-M94 PolarHBondContact O-N 3.48Å; F90-I142 HydrophobicContact CD1-CD1 3.36Å; F90-I142 HydrophobicContact CE1-CD1 3.22Å; F90-I142 HydrophobicContact CG-CD1 4.43Å; F90-I142 HydrophobicContact CZ-CD1 4.2Å; F90-E145 HydrophobicContact CE2-CG 3.8Å; F90-E145 HydrophobicContact CZ-CG 3.8Å; F90-I146 HydrophobicContact CB-CD1 3.92Å; F90-I146 HydrophobicContact CG-CD1 4.22Å; F90-L149 HydrophobicContact CD2-CD1 3.93Å; F90-L149 HydrophobicContact CE2-CD1 4.45Å
91M95.4Very high92.8Very high2 Ų275.2 Ų75.21%0.0135%0.347CS..Hα-helixtrans-59-45.8174.6-63.6-44.8121.500111.3L76 C87 F93 M94 M95 D113 I114 F138 I142L76-M91 HydrophobicContact CD1-CE 3.47Å; L76-M91 VanDerWaalsContact CD1-CE 3.47Å; L76-M91 HydrophobicContact CD1-SD 4.02Å; C87-M91 VanDerWaalsContact O-CG 3.28Å; C87-M91 WeakPolarHBondContact O-CG 3.29Å; C87-M91 PolarHBondContact O-N 3.47Å; M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.27Å; M91-M94 HydrophobicContact CE-CE 3.77Å; M91-M94 PolarHBondContact O-N 2.85Å; M91-M94 HydrophobicContact SD-CE 3.4Å; M91-M94 WeakPolarHBondContact SD-CE 3.47Å; M91-M95 HydrophobicContact CB-CE 4.23Å; M91-M95 WeakPolarHBondContact O-CG 3.34Å; M91-M95 PolarHBondContact O-N 2.79Å; M91-D113 HydrophobicContact CG-CB 4.12Å; M91-I114 HydrophobicContact CG-CB 4.35Å; M91-I114 HydrophobicContact SD-CB 3.78Å; M91-I114 HydrophobicContact SD-CD1 3.66Å; M91-I114 HydrophobicContact SD-CG1 4.31Å; M91-I114 HydrophobicContact SD-CG2 4.09Å; M91-F138 HydrophobicContact SD-CZ 4.38Å; M91-I142 HydrophobicContact CE-CD1 3.45Å; M91-I142 VanDerWaalsContact CE-CD1 3.45Å; M91-I142 HydrophobicContact CE-CG1 3.61Å
92R94.3Very high92.7Very high115 Ų11572.8 Ų72.843%0.43434%0.337SS..Hα-helixtrans-61-38.7177.9-170.4-175.7-63.31320.1111.9Q88 N89 F90 R96Q88-R92 VanDerWaalsContact O-CB 3.23Å; Q88-R92 WeakPolarHBondContact O-CB 3.44Å; Q88-R92 PolarHBondContact O-N 3.34Å; N89-R92 PolarHBondContact O-N 3.33Å; N89-R92 PolarHBondContact OD1-NH1 3.23Å; F90-R92 VanDerWaalsContact C-N 3.34Å; F90-R92 PolarHBondContact O-N 3.23Å; R92-R96 WeakPolarHBondContact O-CG 3.39Å; R92-R96 PolarHBondContact O-N 3.49Å; R92-R96 VanDerWaalsContact O-N 3.15Å
93F94.2Very high92.7Very high104 Ų10470.6 Ų70.646%0.45633%0.326SS..Hα-helixtrans-63.6-42.6176172.2-87000112.2N89 F90 M91 R97N89-F93 WeakPolarHBondContact O-CB 3.28Å; N89-F93 PolarHBondContact O-N 2.92Å; F90-F93 WeakPolarHBondContact O-CB 3.4Å; F90-F93 PolarHBondContact O-N 3.09Å; M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.27Å; F93-R97 VanDerWaalsContact CE2-NH2 3.26Å; F93-R97 VanDerWaalsContact CZ-NH2 3.31Å; F93-R97 PolarHBondContact O-NH1 3.18Å
94M93.5Very high92.8Very high27 Ų2770.2 Ų70.213%0.13332%0.324CS..Hα-helixtrans-66.4-45.5176.7-70-168.7-66.900111.7F90 M91 R96 R97 A98 L104 I114 F138 I142F90-M94 HydrophobicContact CD1-CE 3.41Å; F90-M94 VanDerWaalsContact CD1-CE 3.41Å; F90-M94 HydrophobicContact CD1-CG 4.39Å; F90-M94 HydrophobicContact CD1-SD 4.02Å; F90-M94 HydrophobicContact CE1-CE 3.4Å; F90-M94 VanDerWaalsContact CE1-CE 3.4Å; F90-M94 HydrophobicContact CE1-CG 4.13Å; F90-M94 HydrophobicContact CE1-SD 3.44Å; F90-M94 WeakPolarHBondContact CE1-SD 3.42Å; F90-M94 HydrophobicContact CZ-SD 4.2Å; F90-M94 PolarHBondContact O-N 3.48Å; M91-M94 HydrophobicContact CE-CE 3.77Å; M91-M94 PolarHBondContact O-N 2.85Å; M91-M94 HydrophobicContact SD-CE 3.4Å; M91-M94 WeakPolarHBondContact SD-CE 3.47Å; M94-R96 PolarHBondContact O-N 2.82Å; M94-R97 CarbonylContact O-C 3.54Å; M94-R97 WeakPolarHBondContact O-CA 3.33Å; M94-R97 WeakPolarHBondContact O-CB 3.33Å; M94-R97 PolarHBondContact O-N 3.09Å; M94-A98 PolarHBondContact O-N 3.21Å; M94-L104 VanDerWaalsContact C-CD2 3.45Å; M94-L104 HydrophobicContact CB-CD2 4.02Å; M94-L104 VanDerWaalsContact O-CD2 3.29Å; M94-L104 WeakPolarHBondContact O-CD2 3.46Å; M94-I114 HydrophobicContact CE-CD1 3.62Å; M94-F138 HydrophobicContact CE-CE2 3.62Å; M94-F138 HydrophobicContact CE-CZ 3.61Å; M94-F138 HydrophobicContact SD-CE2 3.66Å; M94-F138 HydrophobicContact SD-CZ 4.28Å; M94-I142 HydrophobicContact CE-CD1 4.47Å
95M92.7Very high92.9Very high26 Ų2667.6 Ų67.613%0.12831%0.312CS..Hα-helixtrans-62.4-29.7179.5-69.7-173.7-71.300113.1M91 R97 A98 L104 R105 P108M91-M95 HydrophobicContact CB-CE 4.23Å; M91-M95 WeakPolarHBondContact O-CG 3.34Å; M91-M95 PolarHBondContact O-N 2.79Å; M95-R97 PolarHBondContact O-N 2.89Å; M95-A98 VanDerWaalsContact O-CB 3.28Å; M95-A98 WeakPolarHBondContact O-CB 3.45Å; M95-A98 PolarHBondContact O-N 2.92Å; M95-L104 HydrophobicContact CG-CD2 4.25Å; M95-R105 WeakPolarHBondContact CG-O 3.34Å; M95-P108 HydrophobicContact CE-CG 4.34Å; M95-P108 VanDerWaalsContact SD-CD 3.51Å; M95-P108 HydrophobicContact SD-CG 4.26Å
96R92.8Very high92.8Very high204 Ų20471.5 Ų71.577%0.7732%0.32SS*.THydrogen-bonded Turntrans-66-16.5171.3-75.7177.3178.6-169.7-0.3113.7R92 M94R92-R96 WeakPolarHBondContact O-CG 3.39Å; R92-R96 PolarHBondContact O-N 3.49Å; R92-R96 VanDerWaalsContact O-N 3.15Å; M94-R96 PolarHBondContact O-N 2.82Å
97R91.9Very high92.8Very high117 Ų11777.1 Ų77.144%0.44235%0.345SS..THydrogen-bonded Turntrans-107.215.7177.8-68.9176.1170.969.1-0.4112.8F93 M94 M95 E99 N100 F101F93-R97 VanDerWaalsContact CE2-NH2 3.26Å; F93-R97 VanDerWaalsContact CZ-NH2 3.31Å; F93-R97 PolarHBondContact O-NH1 3.18Å; M94-R97 CarbonylContact O-C 3.54Å; M94-R97 WeakPolarHBondContact O-CA 3.33Å; M94-R97 WeakPolarHBondContact O-CB 3.33Å; M94-R97 PolarHBondContact O-N 3.09Å; M95-R97 PolarHBondContact O-N 2.89Å; R97-E99 PolarHBondContact O-N 3.24Å; R97-N100 PolarHBondContact O-N 2.87Å; R97-F101 PolarHBondContact O-N 2.81Å
98A88Confident92.9Very high11 Ų1178.5 Ų78.59%0.09135%0.354CS..THydrogen-bonded Turntrans-58-18179.700000114.2M94 M95 F101 L104 R106M94-A98 PolarHBondContact O-N 3.21Å; M95-A98 VanDerWaalsContact O-CB 3.28Å; M95-A98 WeakPolarHBondContact O-CB 3.45Å; M95-A98 PolarHBondContact O-N 2.92Å; A98-F101 CarbonylContact O-C 3.51Å; A98-F101 PolarHBondContact O-N 2.99Å; A98-L104 HydrophobicContact CB-CB 4.23Å; A98-L104 HydrophobicContact CB-CD2 4.44Å; A98-R106 HydrophobicContact CB-CG 4.02Å
99E84.3Confident93Very high138 Ų13875.8 Ų75.865%0.64534%0.343SS*.THydrogen-bonded Turntrans-68.5-36.8173.1-68.2179.4179.700112.5R97 R106R97-E99 PolarHBondContact O-N 3.24Å; E99-R106 VanDerWaalsContact CG-NH2 3.29Å; E99-R106 IonicContact OE1-CZ 2.79Å; E99-R106 IonicContact OE1-NH1 3.77Å; E99-R106 IonicContact OE1-NH2 3.06Å; E99-R106 PolarHBondContact OE1-NH2 3.13Å
100N86.7Confident93.1Very high148 Ų14878 Ų7879%0.79136%0.361SS*.THydrogen-bonded Turntrans-84.3-28173.3-61.3-29.8000111.1R97 V102R97-N100 PolarHBondContact O-N 2.87Å; N100-V102 PolarHBondContact O-N 3.38Å
101F86.2Confident93.1Very high62 Ų6278.5 Ų78.527%0.27238%0.38SS..SBendtrans-97.375.6175.5-151.1-38.7000110.3R97 A98 I103 L104 F116 F134R97-F101 PolarHBondContact O-N 2.81Å; A98-F101 CarbonylContact O-C 3.51Å; A98-F101 PolarHBondContact O-N 2.99Å; F101-I103 HydrophobicContact CD1-CG1 3.64Å; F101-I103 HydrophobicContact CE1-CD1 3.82Å; F101-I103 HydrophobicContact CE1-CG1 3.4Å; F101-I103 PolarHBondContact O-N 3.09Å; F101-L104 HydrophobicContact CB-CB 3.87Å; F101-L104 HydrophobicContact CB-CD2 4.31Å; F101-L104 HydrophobicContact CD1-CB 3.92Å; F101-L104 HydrophobicContact CG-CB 3.87Å; F101-L104 HydrophobicContact CG-CD2 4.42Å; F101-L104 VanDerWaalsContact O-CB 3.26Å; F101-L104 WeakPolarHBondContact O-CB 3.34Å; F101-L104 PolarHBondContact O-N 2.97Å; F101-F116 HydrophobicContact CE1-CE1 4.47Å; F101-F134 HydrophobicContact CE1-CD1 4.44Å; F101-F134 AromaticContact CE1-CE1 3.74Å; F101-F134 HydrophobicContact CE1-CE1 3.74Å; F101-F134 HydrophobicContact CE1-CE2 4.48Å; F101-F134 AromaticContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CE1 4.33Å; F101-F134 HydrophobicContact CE2-CE2 4.11Å; F101-F134 AromaticContact CE2-CZ 3.61Å; F101-F134 HydrophobicContact CE2-CZ 3.61Å; F101-F134 HydrophobicContact CZ-CD1 4.25Å; F101-F134 HydrophobicContact CZ-CD2 4.32Å; F101-F134 AromaticContact CZ-CE1 3.37Å; F101-F134 HydrophobicContact CZ-CE1 3.37Å; F101-F134 AromaticContact CZ-CE2 3.47Å; F101-F134 HydrophobicContact CZ-CE2 3.47Å; F101-F134 VanDerWaalsContact CZ-CE2 3.47Å; F101-F134 AromaticContact CZ-CZ 2.96Å; F101-F134 HydrophobicContact CZ-CZ 2.96Å
102V90.9Very high93.2Very high85 Ų8579.8 Ų79.852%0.51539%0.385SS..THydrogen-bonded Turntrans-56.1-27.8-166.7-60.80000115.8N100 M126N100-V102 PolarHBondContact O-N 3.38Å; V102-M126 HydrophobicContact CG2-CE 4.15Å
103I95.3Very high93.3Very high4 Ų475.7 Ų75.72%0.02137%0.372CS..THydrogen-bonded Turntrans-88.1-2.7177.362.4167.7000113.8F101 F116 L117 I118 H122 M126 L131 F134F101-I103 HydrophobicContact CD1-CG1 3.64Å; F101-I103 HydrophobicContact CE1-CD1 3.82Å; F101-I103 HydrophobicContact CE1-CG1 3.4Å; F101-I103 PolarHBondContact O-N 3.09Å; I103-F116 HydrophobicContact CD1-CD1 4.07Å; I103-F116 HydrophobicContact CG1-CD1 4.03Å; I103-F116 CarbonylContact O-C 3.56Å; I103-F116 WeakPolarHBondContact O-CA 3.32Å; I103-F116 WeakPolarHBondContact O-CB 3.43Å; I103-L117 WeakPolarHBondContact CA-O 3.49Å; I103-L117 PolarHBondContact O-N 3.48Å; I103-I118 HydrophobicContact CB-CG1 4.19Å; I103-I118 HydrophobicContact CG2-CG1 4.2Å; I103-H122 HydrophobicContact CG2-CB 4.44Å; I103-M126 HydrophobicContact CG2-CE 4.19Å; I103-L131 HydrophobicContact CD1-CD2 4.27Å; I103-L131 HydrophobicContact CG2-CD2 4.22Å; I103-F134 HydrophobicContact CD1-CD1 3.72Å; I103-F134 HydrophobicContact CD1-CE1 3.94Å
104L96.2Very high93.4Very high13 Ų1370.7 Ų70.77%0.06835%0.35CS..BIsolated β-bridgetrans-88.4133.3-175.8-170.968000111M94 M95 A98 F101 I114 F116M94-L104 VanDerWaalsContact C-CD2 3.45Å; M94-L104 HydrophobicContact CB-CD2 4.02Å; M94-L104 VanDerWaalsContact O-CD2 3.29Å; M94-L104 WeakPolarHBondContact O-CD2 3.46Å; M95-L104 HydrophobicContact CG-CD2 4.25Å; A98-L104 HydrophobicContact CB-CB 4.23Å; A98-L104 HydrophobicContact CB-CD2 4.44Å; F101-L104 HydrophobicContact CB-CB 3.87Å; F101-L104 HydrophobicContact CB-CD2 4.31Å; F101-L104 HydrophobicContact CD1-CB 3.92Å; F101-L104 HydrophobicContact CG-CB 3.87Å; F101-L104 HydrophobicContact CG-CD2 4.42Å; F101-L104 VanDerWaalsContact O-CB 3.26Å; F101-L104 WeakPolarHBondContact O-CB 3.34Å; F101-L104 PolarHBondContact O-N 2.97Å; L104-I114 HydrophobicContact CD1-CD1 3.57Å; L104-I114 HydrophobicContact CD1-CG1 3.63Å; L104-F116 HydrophobicContact CD1-CD1 3.78Å; L104-F116 HydrophobicContact CD1-CE1 3.54Å; L104-F116 HydrophobicContact CD1-CZ 4.18Å
105R96.6Very high93.6Very high42 Ų4269.4 Ų69.416%0.15834%0.344CS..  trans-77.5141.1172.6-64.2179.176.2-123.812.6110E39 M95 Q107 S115 L117E39-R105 IonicContact OE1-CZ 3.69Å; E39-R105 IonicContact OE1-NE 3.53Å; E39-R105 PolarHBondContact OE1-NE 3.4Å; E39-R105 IonicContact OE1-NH2 2.78Å; E39-R105 PolarHBondContact OE1-NH2 2.83Å; E39-R105 IonicContact OE2-CZ 3.59Å; E39-R105 IonicContact OE2-NE 2.68Å; E39-R105 IonicContact OE2-NH2 2.79Å; E39-R105 PolarHBondContact OE2-NH2 3.03Å; M95-R105 WeakPolarHBondContact CG-O 3.34Å; R105-Q107 WeakPolarHBondContact CB-O 3.33Å; R105-Q107 PolarHBondContact NH1-O 2.71Å; R105-Q107 PolarHBondContact O-N 3.27Å; R105-S115 VanDerWaalsContact CB-O 3.32Å; R105-S115 WeakPolarHBondContact CB-O 3.38Å; R105-S115 PolarHBondContact N-O 2.93Å; R105-L117 HydrophobicContact CG-CB 3.57Å
106R94.9Very high93.8Very high174 Ų17468.2 Ų68.266%0.65734%0.338SS*.SBendtrans-66.7-20.5176.8-64.4-177.7-178.7-128.8-3.6113.4A98 E99A98-R106 HydrophobicContact CB-CG 4.02Å; E99-R106 VanDerWaalsContact CG-NH2 3.29Å; E99-R106 IonicContact OE1-CZ 2.79Å; E99-R106 IonicContact OE1-NH1 3.77Å; E99-R106 IonicContact OE1-NH2 3.06Å; E99-R106 PolarHBondContact OE1-NH2 3.13Å
107Q95.3Very high94.1Very high147 Ų14760.1 Ų60.169%0.68731%0.31SS*.SBendtrans-140.6138177.2-171.3174.9-200109R105R105-Q107 WeakPolarHBondContact CB-O 3.33Å; R105-Q107 PolarHBondContact NH1-O 2.71Å; R105-Q107 PolarHBondContact O-N 3.27Å
108P96.6Very high94.3Very high31 Ų3154.6 Ų54.620%0.20129%0.289CS..PPolyproline II helixtrans-76162.1178.133.2-30.5000110.3M95 S115M95-P108 HydrophobicContact CE-CG 4.34Å; M95-P108 VanDerWaalsContact SD-CD 3.51Å; M95-P108 HydrophobicContact SD-CG 4.26Å; P108-S115 WeakPolarHBondContact CA-OG 3.47Å
109V96.9Very high94.8Very high21 Ų2155.1 Ų55.113%0.12729%0.291CS..PPolyproline II helixtrans-63.6139167.5174.50000109R71 S73 G111 F112 S115R71-V109 HydrophobicContact CG-CG2 4.32Å; S73-V109 WeakPolarHBondContact OG-CG2 3.34Å; V109-G111 PolarHBondContact O-N 3.21Å; V109-F112 HydrophobicContact CB-CD2 4.1Å; V109-F112 HydrophobicContact CG1-CD2 3.96Å; V109-F112 HydrophobicContact CG1-CE2 4.35Å; V109-F112 PolarHBondContact O-N 3.3Å; V109-S115 PolarHBondContact N-OG 2.98Å
110P96.5Very high95.3Very high119 Ų11948.7 Ų48.777%0.77326%0.261SS*.THydrogen-bonded Turntrans-52131.8177-27.835.3000112.3
111G95.4Very high95.7Very high58 Ų5844 Ų4460%0.59824%0.24SC*.THydrogen-bonded Turntrans83.96.7-177.200000115.3R60 V109R60-G111 PolarHBondContact NH2-O 3.04Å; V109-G111 PolarHBondContact O-N 3.21Å
112F97.1Very high96.2Very high29 Ų2942.5 Ų42.513%0.12723%0.234CC..  trans-126158.7172.1-64.3-95.6000110.3R60 L62 S73 V109R60-F112 HydrophobicContact CG-CE1 4.11Å; L62-F112 HydrophobicContact CB-CE1 3.61Å; L62-F112 HydrophobicContact CB-CE2 4.14Å; L62-F112 HydrophobicContact CB-CZ 3.37Å; L62-F112 HydrophobicContact CD2-CE2 3.74Å; L62-F112 HydrophobicContact CD2-CZ 3.81Å; L62-F112 HydrophobicContact CG-CZ 4.22Å; S73-F112 WeakPolarHBondContact O-CD1 3.44Å; V109-F112 HydrophobicContact CB-CD2 4.1Å; V109-F112 HydrophobicContact CG1-CD2 3.96Å; V109-F112 HydrophobicContact CG1-CE2 4.35Å; V109-F112 PolarHBondContact O-N 3.3Å
113D96.4Very high96.4Very high29 Ų2940.1 Ų40.116%0.15522%0.22CC..SBendtrans-88.7-35.3-174.6-63.2-65.7000112.3I74 S75 L76 Q78 M91I74-D113 PolarHBondContact O-N 3.02Å; S75-D113 WeakPolarHBondContact CA-OD2 3.35Å; L76-D113 HydrophobicContact CD1-CB 4.4Å; L76-D113 HydrophobicContact CG-CB 4.47Å; L76-D113 PolarHBondContact N-OD2 2.88Å; Q78-D113 PolarHBondContact NE2-OD1 3.29Å; M91-D113 HydrophobicContact CG-CB 4.12Å
114I97Very high96.3Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-147.6151.3179.4-164.9159.9000111S73 I74 M91 M94 L104 F138S73-I114 WeakPolarHBondContact CA-O 3.28Å; I74-I114 HydrophobicContact CB-CG2 3.97Å; I74-I114 HydrophobicContact CD1-CG2 4.39Å; I74-I114 PolarHBondContact N-O 3.24Å; I74-I114 PolarHBondContact O-N 3.36Å; M91-I114 HydrophobicContact CG-CB 4.35Å; M91-I114 HydrophobicContact SD-CB 3.78Å; M91-I114 HydrophobicContact SD-CD1 3.66Å; M91-I114 HydrophobicContact SD-CG1 4.31Å; M91-I114 HydrophobicContact SD-CG2 4.09Å; M94-I114 HydrophobicContact CE-CD1 3.62Å; L104-I114 HydrophobicContact CD1-CD1 3.57Å; L104-I114 HydrophobicContact CD1-CG1 3.63Å; I114-F138 HydrophobicContact CD1-CE1 4.38Å; I114-F138 HydrophobicContact CD1-CE2 4.47Å; I114-F138 HydrophobicContact CD1-CZ 3.76Å; I114-F138 HydrophobicContact CG2-CE1 3.93Å; I114-F138 HydrophobicContact CG2-CZ 4.28Å
115S97.8Very high96.2Very high0 Ų052.9 Ų52.90%028%0.279CS..EExtended strand (participates in β ladder)trans-137.4140.9174.9-58.10000111.9V72 S73 R105 P108 V109V72-S115 CarbonylContact O-C 3.51Å; V72-S115 WeakPolarHBondContact O-CA 3.35Å; S73-S115 WeakPolarHBondContact CB-OG 3.41Å; S73-S115 PolarHBondContact OG-OG 2.77Å; R105-S115 VanDerWaalsContact CB-O 3.32Å; R105-S115 WeakPolarHBondContact CB-O 3.38Å; R105-S115 PolarHBondContact N-O 2.93Å; P108-S115 WeakPolarHBondContact CA-OG 3.47Å; V109-S115 PolarHBondContact N-OG 2.98Å
116F97.7Very high96.1Very high1 Ų153.9 Ų53.90%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-105146.1170.1-59.9-80.2000110.1R71 V72 I74 F101 I103 L104 F134 V135 F138R71-F116 VanDerWaalsContact CA-O 3.32Å; R71-F116 WeakPolarHBondContact CA-O 3.3Å; V72-F116 HydrophobicContact CB-CB 4.35Å; V72-F116 PolarHBondContact N-O 3.37Å; V72-F116 PolarHBondContact O-N 3.05Å; I74-F116 HydrophobicContact CD1-CD2 4.17Å; I74-F116 HydrophobicContact CD1-CE2 3.75Å; F101-F116 HydrophobicContact CE1-CE1 4.47Å; I103-F116 HydrophobicContact CD1-CD1 4.07Å; I103-F116 HydrophobicContact CG1-CD1 4.03Å; I103-F116 CarbonylContact O-C 3.56Å; I103-F116 WeakPolarHBondContact O-CA 3.32Å; I103-F116 WeakPolarHBondContact O-CB 3.43Å; L104-F116 HydrophobicContact CD1-CD1 3.78Å; L104-F116 HydrophobicContact CD1-CE1 3.54Å; L104-F116 HydrophobicContact CD1-CZ 4.18Å; F116-F134 AromaticContact CE1-CE1 3.85Å; F116-F134 HydrophobicContact CE1-CE1 3.85Å; F116-F134 HydrophobicContact CE1-CZ 4.48Å; F116-F134 HydrophobicContact CZ-CE1 4.08Å; F116-V135 HydrophobicContact CD2-CG2 4.48Å; F116-F138 AromaticContact CE2-CD1 3.92Å; F116-F138 HydrophobicContact CE2-CD1 3.92Å; F116-F138 HydrophobicContact CE2-CE1 4.11Å; F116-F138 HydrophobicContact CE2-CG 4.46Å; F116-F138 AromaticContact CZ-CD1 3.83Å; F116-F138 HydrophobicContact CZ-CD1 3.83Å; F116-F138 HydrophobicContact CZ-CD2 4.28Å; F116-F138 HydrophobicContact CZ-CE1 4.01Å; F116-F138 HydrophobicContact CZ-CE2 4.43Å; F116-F138 AromaticContact CZ-CG 3.99Å; F116-F138 HydrophobicContact CZ-CG 3.99Å; F116-F138 HydrophobicContact CZ-CZ 4.31Å
117L97.7Very high96.1Very high34 Ų3450.8 Ų50.818%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-123.6112.8171.4176.165000108.1P36 V38 E39 I70 I103 R105 T119P36-L117 HydrophobicContact CB-CD1 4.16Å; P36-L117 HydrophobicContact CB-CD2 4.4Å; P36-L117 HydrophobicContact CG-CD2 4.2Å; V38-L117 HydrophobicContact CG1-CD1 3.61Å; E39-L117 HydrophobicContact CG-CD1 4.01Å; E39-L117 HydrophobicContact CG-CD2 3.92Å; I70-L117 WeakPolarHBondContact O-CA 3.49Å; I103-L117 WeakPolarHBondContact CA-O 3.49Å; I103-L117 PolarHBondContact O-N 3.48Å; R105-L117 HydrophobicContact CG-CB 3.57Å; L117-T119 HydrophobicContact CG-CG2 4.39Å
118I97.4Very high96Very high1 Ų149 Ų491%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-111.5126.3178.7-55169.2000108L20 S69 I70 I103 H122 T123 L131L20-I118 HydrophobicContact CD1-CD1 4.46Å; L20-I118 HydrophobicContact CD2-CB 4.32Å; L20-I118 HydrophobicContact CD2-CD1 4.3Å; L20-I118 HydrophobicContact CD2-CG2 3.68Å; S69-I118 CarbonylContact C-O 3.55Å; S69-I118 WeakPolarHBondContact CA-O 3.2Å; I70-I118 PolarHBondContact N-O 3.48Å; I70-I118 PolarHBondContact O-N 3.19Å; I103-I118 HydrophobicContact CB-CG1 4.19Å; I103-I118 HydrophobicContact CG2-CG1 4.2Å; I118-H122 HydrophobicContact CG2-CB 4.02Å; I118-T123 HydrophobicContact CG2-CG2 4.29Å; I118-L131 HydrophobicContact CG2-CD1 3.93Å
119T97.2Very high96Very high21 Ų2152 Ų5213%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-112.1170.2-179.262.90000110.7P36 N68 L117 S121 H122 T123P36-T119 HydrophobicContact CB-CG2 4.17Å; N68-T119 CarbonylContact O-C 3.59Å; N68-T119 WeakPolarHBondContact O-CA 3.35Å; L117-T119 HydrophobicContact CG-CG2 4.39Å; T119-S121 VanDerWaalsContact C-N 3.26Å; T119-S121 PolarHBondContact O-N 3.01Å; T119-H122 PolarHBondContact N-ND1 3.35Å; T119-H122 WeakPolarHBondContact O-CB 3.29Å; T119-H122 PolarHBondContact O-N 2.99Å; T119-H122 VanDerWaalsContact O-N 3.12Å; T119-H122 PolarHBondContact OG1-ND1 3.19Å; T119-T123 PolarHBondContact O-N 2.85Å
120N95.9Very high96Very high4 Ų456.7 Ų56.72%0.02130%0.302CS..Hα-helixtrans-56.1-40.1173.164.9-71.1000112.3V22 D24 N68 H122 T123 E124V22-N120 HydrophobicContact CG2-CB 4.43Å; D24-N120 WeakPolarHBondContact CA-ND2 3.44Å; D24-N120 WeakPolarHBondContact CB-ND2 3.26Å; D24-N120 PolarHBondContact OD1-ND2 2.76Å; N68-N120 PolarHBondContact O-N 3.16Å; N68-N120 PolarHBondContact O-OD1 3.39Å; N120-H122 PolarHBondContact O-N 3.03Å; N120-T123 WeakPolarHBondContact CA-OG1 3.46Å; N120-T123 CarbonylContact O-C 3.45Å; N120-T123 PolarHBondContact O-N 2.88Å; N120-T123 PolarHBondContact O-OG1 3.31Å; N120-E124 PolarHBondContact ND2-OE1 2.83Å; N120-E124 WeakPolarHBondContact O-CG 3.41Å; N120-E124 PolarHBondContact O-N 3.13Å
121S95.6Very high96Very high49 Ų4951.5 Ų51.534%0.34327%0.267SS..Hα-helixtrans-59.8-34.7177.6-45.10000112.4T119 E124 Q125T119-S121 VanDerWaalsContact C-N 3.26Å; T119-S121 PolarHBondContact O-N 3.01Å; S121-E124 PolarHBondContact O-N 2.85Å; S121-Q125 WeakPolarHBondContact O-CG 3.39Å; S121-Q125 PolarHBondContact O-N 3.45Å
122H96.1Very high96Very high30 Ų3048.9 Ų48.914%0.13924%0.24CC..Hα-helixtrans-66.6-43173.5-63.6151.4000111.5I103 I118 T119 N120 E124 Q125 M126 L131I103-H122 HydrophobicContact CG2-CB 4.44Å; I118-H122 HydrophobicContact CG2-CB 4.02Å; T119-H122 PolarHBondContact N-ND1 3.35Å; T119-H122 WeakPolarHBondContact O-CB 3.29Å; T119-H122 PolarHBondContact O-N 2.99Å; T119-H122 VanDerWaalsContact O-N 3.12Å; T119-H122 PolarHBondContact OG1-ND1 3.19Å; N120-H122 PolarHBondContact O-N 3.03Å; H122-E124 VanDerWaalsContact C-N 3.29Å; H122-E124 PolarHBondContact O-N 2.98Å; H122-Q125 PolarHBondContact O-N 3.44Å; H122-M126 HydrophobicContact CB-CE 3.51Å; H122-M126 WeakPolarHBondContact O-CA 3.41Å; H122-M126 VanDerWaalsContact O-CB 3.3Å; H122-M126 WeakPolarHBondContact O-CB 3.46Å; H122-M126 PolarHBondContact O-N 3.32Å; H122-L131 HydrophobicContact CB-CD1 4.48Å
123T94.4Very high96Very high36 Ų3650.3 Ų50.322%0.22125%0.249CC..Hα-helixtrans-73.6-18.5178.9550000114.2L20 V22 I118 T119 N120 M126 L131L20-T123 HydrophobicContact CD2-CG2 3.84Å; V22-T123 HydrophobicContact CG2-CG2 3.79Å; I118-T123 HydrophobicContact CG2-CG2 4.29Å; T119-T123 PolarHBondContact O-N 2.85Å; N120-T123 WeakPolarHBondContact CA-OG1 3.46Å; N120-T123 CarbonylContact O-C 3.45Å; N120-T123 PolarHBondContact O-N 2.88Å; N120-T123 PolarHBondContact O-OG1 3.31Å; T123-M126 CarbonylContact C-O 3.13Å; T123-M126 VanDerWaalsContact O-O 3.09Å; T123-L131 HydrophobicContact CG2-CD1 4.2Å
124E93.7Very high96Very high125 Ų12552 Ų5258%0.58426%0.255SS*.Hα-helixtrans-77.2-35.5172-72.5160.8-154.600111.7N120 S121 H122N120-E124 PolarHBondContact ND2-OE1 2.83Å; N120-E124 WeakPolarHBondContact O-CG 3.41Å; N120-E124 PolarHBondContact O-N 3.13Å; S121-E124 PolarHBondContact O-N 2.85Å; H122-E124 VanDerWaalsContact C-N 3.29Å; H122-E124 PolarHBondContact O-N 2.98Å
125Q93.8Very high96Very high160 Ų16052 Ų5275%0.74826%0.255SS*.Hα-helixtrans-92.3-26.6-178.7-64.9175.97.600113.5S121 H122S121-Q125 WeakPolarHBondContact O-CG 3.39Å; S121-Q125 PolarHBondContact O-N 3.45Å; H122-Q125 PolarHBondContact O-N 3.44Å
126M94.5Very high95.9Very high62 Ų6252.9 Ų52.931%0.30526%0.26SS..SBendtrans-126.4144.5-174.6-59.5176.6-80.500110.7V102 I103 H122 T123 K128 L131V102-M126 HydrophobicContact CG2-CE 4.15Å; I103-M126 HydrophobicContact CG2-CE 4.19Å; H122-M126 HydrophobicContact CB-CE 3.51Å; H122-M126 WeakPolarHBondContact O-CA 3.41Å; H122-M126 VanDerWaalsContact O-CB 3.3Å; H122-M126 WeakPolarHBondContact O-CB 3.46Å; H122-M126 PolarHBondContact O-N 3.32Å; T123-M126 CarbonylContact C-O 3.13Å; T123-M126 VanDerWaalsContact O-O 3.09Å; M126-K128 PolarHBondContact O-N 3.32Å; M126-L131 HydrophobicContact CB-CD1 4.3Å; M126-L131 HydrophobicContact CB-CD2 4.35Å; M126-L131 HydrophobicContact CB-CG 4.28Å; M126-L131 HydrophobicContact CE-CD2 4.02Å; M126-L131 HydrophobicContact SD-CD2 3.95Å
127L94.8Very high95.8Very high110 Ų11055.5 Ų55.558%0.57628%0.276SS*.  trans-66121.6178-65.6170.3000110.4H129 K130 L131L127-H129 VanDerWaalsContact C-N 3.25Å; L127-H129 PolarHBondContact O-N 2.83Å; L127-H129 VanDerWaalsContact O-N 3.15Å; L127-K130 HydrophobicContact CB-CB 4.23Å; L127-K130 HydrophobicContact CB-CG 3.99Å; L127-K130 HydrophobicContact CD1-CG 4.37Å; L127-K130 WeakPolarHBondContact O-CA 3.22Å; L127-K130 WeakPolarHBondContact O-CB 3.37Å; L127-K130 PolarHBondContact O-N 2.83Å; L127-L131 PolarHBondContact O-N 2.75Å; L127-L131 VanDerWaalsContact O-N 3.17Å
128K94.4Very high95.7Very high109 Ų10954.8 Ų54.847%0.47427%0.271SS..Hα-helixtrans-52.8-40-177.671.6178.9-175.81760114M126 K130 L131 V132M126-K128 PolarHBondContact O-N 3.32Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.41Å; K128-L131 WeakPolarHBondContact O-CB 3.42Å; K128-L131 PolarHBondContact O-N 3.24Å; K128-L131 VanDerWaalsContact O-N 3.17Å; K128-V132 PolarHBondContact O-N 3.47Å
129H95.7Very high95.6Very high95 Ų9555.3 Ų55.344%0.4427%0.274SS..Hα-helixtrans-67.1-32.6179.664.4-91.9000111.5L127 V132 D133L127-H129 VanDerWaalsContact C-N 3.25Å; L127-H129 PolarHBondContact O-N 2.83Å; L127-H129 VanDerWaalsContact O-N 3.15Å; H129-V132 PolarHBondContact O-N 2.93Å; H129-D133 WeakPolarHBondContact O-CB 3.4Å; H129-D133 PolarHBondContact O-N 3.42Å
130K96.8Very high95.4Very high119 Ų11958.9 Ų58.952%0.51729%0.289SS..Hα-helixtrans-70.1-31173.3-65.7-59.5-178.8-171.20113L127 K128 D133 F134L127-K130 HydrophobicContact CB-CB 4.23Å; L127-K130 HydrophobicContact CB-CG 3.99Å; L127-K130 HydrophobicContact CD1-CG 4.37Å; L127-K130 WeakPolarHBondContact O-CA 3.22Å; L127-K130 WeakPolarHBondContact O-CB 3.37Å; L127-K130 PolarHBondContact O-N 2.83Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.41Å; K130-D133 IonicContact NZ-OD2 3.72Å; K130-F134 VanDerWaalsContact O-CB 3.22Å; K130-F134 WeakPolarHBondContact O-CB 3.28Å; K130-F134 PolarHBondContact O-N 3.25Å
131L96.1Very high95.3Very high9 Ų964.1 Ų64.15%0.04731%0.313CS..Hα-helixtrans-68.1-41.3171.7-67.4172.9000111.4I103 I118 H122 T123 M126 L127 K128 F134 V135I103-L131 HydrophobicContact CD1-CD2 4.27Å; I103-L131 HydrophobicContact CG2-CD2 4.22Å; I118-L131 HydrophobicContact CG2-CD1 3.93Å; H122-L131 HydrophobicContact CB-CD1 4.48Å; T123-L131 HydrophobicContact CG2-CD1 4.2Å; M126-L131 HydrophobicContact CB-CD1 4.3Å; M126-L131 HydrophobicContact CB-CD2 4.35Å; M126-L131 HydrophobicContact CB-CG 4.28Å; M126-L131 HydrophobicContact CE-CD2 4.02Å; M126-L131 HydrophobicContact SD-CD2 3.95Å; L127-L131 PolarHBondContact O-N 2.75Å; L127-L131 VanDerWaalsContact O-N 3.17Å; K128-L131 WeakPolarHBondContact O-CB 3.42Å; K128-L131 PolarHBondContact O-N 3.24Å; K128-L131 VanDerWaalsContact O-N 3.17Å; L131-F134 PolarHBondContact O-N 3.03Å; L131-V135 WeakPolarHBondContact O-CG2 3.07Å; L131-V135 PolarHBondContact O-N 3.44Å; L131-V135 VanDerWaalsContact O-N 3.13Å
132V97Very high95.2Very high3 Ų362 Ų622%0.01830%0.298CS..Hα-helixtrans-62.3-53.1173.4179.70000110.3H13 L16 L20 K128 H129 F134 V135 I136H13-V132 VanDerWaalsContact CD2-CG1 3.44Å; H13-V132 WeakPolarHBondContact CD2-CG1 3.28Å; L16-V132 HydrophobicContact CB-CG1 4.13Å; L16-V132 HydrophobicContact CB-CG2 4.17Å; L20-V132 HydrophobicContact CD1-CG2 3.38Å; K128-V132 PolarHBondContact O-N 3.47Å; H129-V132 PolarHBondContact O-N 2.93Å; V132-F134 PolarHBondContact O-N 2.84Å; V132-V135 PolarHBondContact O-N 3.22Å; V132-I136 HydrophobicContact CG1-CG1 4.36Å; V132-I136 WeakPolarHBondContact O-CG1 3.11Å; V132-I136 PolarHBondContact O-N 2.82Å
133D96.9Very high94.8Very high60 Ų6062.8 Ų62.832%0.32130%0.303SS..Hα-helixtrans-51.4-46.7177.6-69.3-16.4000110.2H129 K130 V135 I136 T137H129-D133 WeakPolarHBondContact O-CB 3.4Å; H129-D133 PolarHBondContact O-N 3.42Å; K130-D133 IonicContact NZ-OD2 3.72Å; D133-V135 PolarHBondContact O-N 2.93Å; D133-I136 PolarHBondContact O-N 3.07Å; D133-T137 WeakPolarHBondContact O-CB 3.16Å; D133-T137 PolarHBondContact O-N 3.47Å; D133-T137 PolarHBondContact O-OG1 2.76Å; D133-T137 VanDerWaalsContact O-OG1 3.05Å
134F95.9Very high94.6Very high63 Ų6368.5 Ų68.528%0.27632%0.321SS..Hα-helixtrans-57.4-47.9178.2170.5-93.6000112.6F101 I103 F116 K130 L131 V132 I136 T137 F138F101-F134 HydrophobicContact CE1-CD1 4.44Å; F101-F134 AromaticContact CE1-CE1 3.74Å; F101-F134 HydrophobicContact CE1-CE1 3.74Å; F101-F134 HydrophobicContact CE1-CE2 4.48Å; F101-F134 AromaticContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CE1 4.33Å; F101-F134 HydrophobicContact CE2-CE2 4.11Å; F101-F134 AromaticContact CE2-CZ 3.61Å; F101-F134 HydrophobicContact CE2-CZ 3.61Å; F101-F134 HydrophobicContact CZ-CD1 4.25Å; F101-F134 HydrophobicContact CZ-CD2 4.32Å; F101-F134 AromaticContact CZ-CE1 3.37Å; F101-F134 HydrophobicContact CZ-CE1 3.37Å; F101-F134 AromaticContact CZ-CE2 3.47Å; F101-F134 HydrophobicContact CZ-CE2 3.47Å; F101-F134 VanDerWaalsContact CZ-CE2 3.47Å; F101-F134 AromaticContact CZ-CZ 2.96Å; F101-F134 HydrophobicContact CZ-CZ 2.96Å; I103-F134 HydrophobicContact CD1-CD1 3.72Å; I103-F134 HydrophobicContact CD1-CE1 3.94Å; F116-F134 AromaticContact CE1-CE1 3.85Å; F116-F134 HydrophobicContact CE1-CE1 3.85Å; F116-F134 HydrophobicContact CE1-CZ 4.48Å; F116-F134 HydrophobicContact CZ-CE1 4.08Å; K130-F134 VanDerWaalsContact O-CB 3.22Å; K130-F134 WeakPolarHBondContact O-CB 3.28Å; K130-F134 PolarHBondContact O-N 3.25Å; L131-F134 PolarHBondContact O-N 3.03Å; V132-F134 PolarHBondContact O-N 2.84Å; F134-I136 VanDerWaalsContact C-N 3.31Å; F134-I136 PolarHBondContact O-N 3.3Å; F134-T137 PolarHBondContact O-N 2.83Å; F134-F138 HydrophobicContact CE1-CB 4.32Å; F134-F138 HydrophobicContact CZ-CB 3.98Å; F134-F138 HydrophobicContact CZ-CD2 4.26Å; F134-F138 HydrophobicContact CZ-CG 4.39Å; F134-F138 VanDerWaalsContact O-CB 3.29Å; F134-F138 WeakPolarHBondContact O-CB 3.42Å; F134-F138 PolarHBondContact O-N 2.93Å
135V96.3Very high94.7Very high1 Ų166.3 Ų66.31%0.00631%0.31CS..Hα-helixtrans-64.1-39.1179.9174.60000111L16 V72 I74 F116 L131 V132 D133 F138 M139L16-V135 HydrophobicContact CD1-CB 4.04Å; L16-V135 HydrophobicContact CD1-CG1 3.69Å; V72-V135 HydrophobicContact CG1-CG1 4.39Å; I74-V135 HydrophobicContact CD1-CG1 4.38Å; F116-V135 HydrophobicContact CD2-CG2 4.48Å; L131-V135 WeakPolarHBondContact O-CG2 3.07Å; L131-V135 PolarHBondContact O-N 3.44Å; L131-V135 VanDerWaalsContact O-N 3.13Å; V132-V135 PolarHBondContact O-N 3.22Å; D133-V135 PolarHBondContact O-N 2.93Å; V135-F138 PolarHBondContact O-N 3.18Å; V135-M139 HydrophobicContact CG1-SD 4.4Å; V135-M139 WeakPolarHBondContact O-CG 3.37Å; V135-M139 PolarHBondContact O-N 2.93Å
136I96.7Very high94.7Very high19 Ų1959.1 Ų59.110%0.09728%0.277CS..Hα-helixtrans-67.3-47.8177.5-61.3-56000111.1L9 V12 H13 L16 V132 D133 F134 F138 M139 E140L9-I136 HydrophobicContact CB-CG2 4.47Å; V12-I136 HydrophobicContact CB-CD1 4.1Å; V12-I136 HydrophobicContact CG1-CD1 3.8Å; H13-I136 HydrophobicContact CB-CD1 3.99Å; H13-I136 HydrophobicContact CB-CG1 4.03Å; L16-I136 HydrophobicContact CD1-CD1 4.45Å; V132-I136 HydrophobicContact CG1-CG1 4.36Å; V132-I136 WeakPolarHBondContact O-CG1 3.11Å; V132-I136 PolarHBondContact O-N 2.82Å; D133-I136 PolarHBondContact O-N 3.07Å; F134-I136 VanDerWaalsContact C-N 3.31Å; F134-I136 PolarHBondContact O-N 3.3Å; I136-F138 VanDerWaalsContact C-N 3.3Å; I136-F138 PolarHBondContact O-N 2.82Å; I136-M139 WeakPolarHBondContact O-CB 3.44Å; I136-M139 PolarHBondContact O-N 3.46Å; I136-M139 VanDerWaalsContact O-N 3.09Å; I136-E140 PolarHBondContact O-N 3.45Å
137T95.8Very high94.5Very high56 Ų5659 Ų5934%0.34428%0.282SS..Hα-helixtrans-58.4-43.3175.3-61.60000111.2D133 F134 M139 E140 E141D133-T137 WeakPolarHBondContact O-CB 3.16Å; D133-T137 PolarHBondContact O-N 3.47Å; D133-T137 PolarHBondContact O-OG1 2.76Å; D133-T137 VanDerWaalsContact O-OG1 3.05Å; F134-T137 PolarHBondContact O-N 2.83Å; T137-M139 VanDerWaalsContact C-N 3.31Å; T137-M139 PolarHBondContact O-N 2.69Å; T137-E140 PolarHBondContact O-N 2.99Å; T137-E140 VanDerWaalsContact O-N 3.13Å; T137-E141 HydrophobicContact CG2-CG 4.09Å; T137-E141 WeakPolarHBondContact O-CB 3.25Å; T137-E141 WeakPolarHBondContact O-CG 3.45Å; T137-E141 PolarHBondContact O-N 2.79Å
138F95.5Very high94.6Very high19 Ų1958.5 Ų58.58%0.08328%0.277CS..Hα-helixtrans-57-44.4174.7176-91.1000112I74 M91 M94 I114 F116 F134 V135 I136 E140 I142I74-F138 HydrophobicContact CD1-CD1 4.22Å; I74-F138 HydrophobicContact CD1-CE1 4.35Å; M91-F138 HydrophobicContact SD-CZ 4.38Å; M94-F138 HydrophobicContact CE-CE2 3.62Å; M94-F138 HydrophobicContact CE-CZ 3.61Å; M94-F138 HydrophobicContact SD-CE2 3.66Å; M94-F138 HydrophobicContact SD-CZ 4.28Å; I114-F138 HydrophobicContact CD1-CE1 4.38Å; I114-F138 HydrophobicContact CD1-CE2 4.47Å; I114-F138 HydrophobicContact CD1-CZ 3.76Å; I114-F138 HydrophobicContact CG2-CE1 3.93Å; I114-F138 HydrophobicContact CG2-CZ 4.28Å; F116-F138 AromaticContact CE2-CD1 3.92Å; F116-F138 HydrophobicContact CE2-CD1 3.92Å; F116-F138 HydrophobicContact CE2-CE1 4.11Å; F116-F138 HydrophobicContact CE2-CG 4.46Å; F116-F138 AromaticContact CZ-CD1 3.83Å; F116-F138 HydrophobicContact CZ-CD1 3.83Å; F116-F138 HydrophobicContact CZ-CD2 4.28Å; F116-F138 HydrophobicContact CZ-CE1 4.01Å; F116-F138 HydrophobicContact CZ-CE2 4.43Å; F116-F138 AromaticContact CZ-CG 3.99Å; F116-F138 HydrophobicContact CZ-CG 3.99Å; F116-F138 HydrophobicContact CZ-CZ 4.31Å; F134-F138 HydrophobicContact CE1-CB 4.32Å; F134-F138 HydrophobicContact CZ-CB 3.98Å; F134-F138 HydrophobicContact CZ-CD2 4.26Å; F134-F138 HydrophobicContact CZ-CG 4.39Å; F134-F138 VanDerWaalsContact O-CB 3.29Å; F134-F138 WeakPolarHBondContact O-CB 3.42Å; F134-F138 PolarHBondContact O-N 2.93Å; V135-F138 PolarHBondContact O-N 3.18Å; I136-F138 VanDerWaalsContact C-N 3.3Å; I136-F138 PolarHBondContact O-N 2.82Å; F138-E140 VanDerWaalsContact C-N 3.33Å; F138-E140 PolarHBondContact O-N 3.16Å; F138-I142 HydrophobicContact CZ-CG1 4.48Å; F138-I142 VanDerWaalsContact O-CB 3.31Å; F138-I142 WeakPolarHBondContact O-CB 3.43Å; F138-I142 VanDerWaalsContact O-CG2 3.3Å; F138-I142 WeakPolarHBondContact O-CG2 3.15Å; F138-I142 PolarHBondContact O-N 3.42Å; F138-I142 VanDerWaalsContact O-N 3.07Å
139M94.8Very high94.6Very high12 Ų1256 Ų566%0.05927%0.269CS..Hα-helixtrans-65.6-33.3176.9-72.6177.565.600113.2Y8 L9 V12 V61 I74 V135 I136 T137Y8-M139 HydrophobicContact CD1-CE 4.44Å; Y8-M139 HydrophobicContact CE1-CE 3.53Å; L9-M139 HydrophobicContact CD2-CB 3.97Å; L9-M139 HydrophobicContact CD2-CE 3.85Å; L9-M139 HydrophobicContact CD2-SD 4.41Å; V12-M139 HydrophobicContact CG1-SD 4.02Å; V12-M139 HydrophobicContact CG2-CE 4.33Å; V61-M139 HydrophobicContact CG2-CE 3.41Å; V61-M139 VanDerWaalsContact CG2-CE 3.41Å; V61-M139 HydrophobicContact CG2-SD 3.87Å; I74-M139 HydrophobicContact CD1-CG 3.73Å; I74-M139 HydrophobicContact CD1-SD 4.06Å; I74-M139 HydrophobicContact CG2-CG 4.42Å; V135-M139 HydrophobicContact CG1-SD 4.4Å; V135-M139 WeakPolarHBondContact O-CG 3.37Å; V135-M139 PolarHBondContact O-N 2.93Å; I136-M139 WeakPolarHBondContact O-CB 3.44Å; I136-M139 PolarHBondContact O-N 3.46Å; I136-M139 VanDerWaalsContact O-N 3.09Å; T137-M139 VanDerWaalsContact C-N 3.31Å; T137-M139 PolarHBondContact O-N 2.69Å
140E92.1Very high94.6Very high96 Ų9652.8 Ų52.845%0.44925%0.253SS..Hα-helixtrans-75.2-40.9177.3-73.4-177.2148.700112.9L9 I136 T137 F138L9-E140 HydrophobicContact CD1-CG 3.36Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.45Å; I136-E140 PolarHBondContact O-N 3.45Å; T137-E140 PolarHBondContact O-N 2.99Å; T137-E140 VanDerWaalsContact O-N 3.13Å; F138-E140 VanDerWaalsContact C-N 3.33Å; F138-E140 PolarHBondContact O-N 3.16Å
141E94.2Very high94.6Very high113 Ų11352.7 Ų52.753%0.52826%0.258SS..Hα-helixtrans-79.3-31.9-174.2-70.7-174.4167.500112.3T137 D143 R144 E145T137-E141 HydrophobicContact CG2-CG 4.09Å; T137-E141 WeakPolarHBondContact O-CB 3.25Å; T137-E141 WeakPolarHBondContact O-CG 3.45Å; T137-E141 PolarHBondContact O-N 2.79Å; E141-D143 PolarHBondContact O-N 3.03Å; E141-R144 WeakPolarHBondContact O-CB 3.21Å; E141-R144 PolarHBondContact O-N 3.13Å; E141-R144 VanDerWaalsContact O-N 3.07Å; E141-E145 PolarHBondContact O-N 3.46Å
142I93.3Very high94.6Very high5 Ų556.6 Ų56.63%0.02628%0.282CS..Hα-helixtrans-64.2-39.1-172.6-17062.3000113.4L76 F90 M91 M94 F138 R144 E145 I146L76-I142 HydrophobicContact CD1-CG1 3.81Å; L76-I142 HydrophobicContact CD1-CG2 4.18Å; L76-I142 HydrophobicContact CD2-CG2 3.58Å; F90-I142 HydrophobicContact CD1-CD1 3.36Å; F90-I142 HydrophobicContact CE1-CD1 3.22Å; F90-I142 HydrophobicContact CG-CD1 4.43Å; F90-I142 HydrophobicContact CZ-CD1 4.2Å; M91-I142 HydrophobicContact CE-CD1 3.45Å; M91-I142 VanDerWaalsContact CE-CD1 3.45Å; M91-I142 HydrophobicContact CE-CG1 3.61Å; M94-I142 HydrophobicContact CE-CD1 4.47Å; F138-I142 HydrophobicContact CZ-CG1 4.48Å; F138-I142 VanDerWaalsContact O-CB 3.31Å; F138-I142 WeakPolarHBondContact O-CB 3.43Å; F138-I142 VanDerWaalsContact O-CG2 3.3Å; F138-I142 WeakPolarHBondContact O-CG2 3.15Å; F138-I142 PolarHBondContact O-N 3.42Å; F138-I142 VanDerWaalsContact O-N 3.07Å; I142-R144 PolarHBondContact O-N 2.82Å; I142-E145 PolarHBondContact O-N 3.44Å; I142-I146 HydrophobicContact CD1-CG1 4.27Å; I142-I146 HydrophobicContact CG1-CG1 4.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 3.23Å
143D87.6Confident94.6Very high47 Ų4760.7 Ų60.725%0.25130%0.303SS..Hα-helixtrans-62.4-36.5177-83.5-4.3000111.2E141 S147E141-D143 PolarHBondContact O-N 3.03Å; D143-S147 WeakPolarHBondContact O-CB 3.01Å; D143-S147 PolarHBondContact O-N 2.92Å; D143-S147 VanDerWaalsContact O-N 3.16Å; D143-S147 PolarHBondContact O-OG 3.21Å
144R90.8Very high94.5Very high156 Ų15663.2 Ų63.259%0.58931%0.312SS*.Hα-helixtrans-69.2-48.4177-169.4-173.3-52.6173.68.7110.6E141 I142 I146 S147 E148E141-R144 WeakPolarHBondContact O-CB 3.21Å; E141-R144 PolarHBondContact O-N 3.13Å; E141-R144 VanDerWaalsContact O-N 3.07Å; I142-R144 PolarHBondContact O-N 2.82Å; R144-I146 PolarHBondContact O-N 3.43Å; R144-S147 WeakPolarHBondContact O-CB 3.28Å; R144-S147 PolarHBondContact O-N 3.05Å; R144-S147 VanDerWaalsContact O-N 3.11Å; R144-E148 HydrophobicContact CG-CG 4.5Å; R144-E148 WeakPolarHBondContact CG-OE1 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 3.06Å
145E95Very high94.6Very high78 Ų7862.4 Ų62.436%0.36432%0.317SS..Hα-helixtrans-58.9-46.3-179.9-172.563.8-159.400111.6F90 E141 I142 S147 E148 L149F90-E145 HydrophobicContact CE2-CG 3.8Å; F90-E145 HydrophobicContact CZ-CG 3.8Å; E141-E145 PolarHBondContact O-N 3.46Å; I142-E145 PolarHBondContact O-N 3.44Å; E145-S147 VanDerWaalsContact C-N 3.3Å; E145-S147 PolarHBondContact O-N 3.36Å; E145-E148 PolarHBondContact O-N 3.37Å; E145-L149 HydrophobicContact CG-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CB 3.41Å; E145-L149 VanDerWaalsContact O-CG 3.31Å; E145-L149 WeakPolarHBondContact O-CG 3.2Å; E145-L149 PolarHBondContact O-N 3.48Å
146I93.8Very high94.7Very high10 Ų1070.7 Ų70.75%0.05135%0.348CS..Hα-helixtrans-63.1-39176.9-64-58.7000111.3E83 L86 C87 F90 I142 R144 L149 K150E83-I146 HydrophobicContact CB-CG2 4.43Å; E83-I146 HydrophobicContact CG-CG2 4.14Å; L86-I146 HydrophobicContact CB-CG2 4.45Å; C87-I146 HydrophobicContact CB-CD1 4.37Å; F90-I146 HydrophobicContact CB-CD1 3.92Å; F90-I146 HydrophobicContact CG-CD1 4.22Å; I142-I146 HydrophobicContact CD1-CG1 4.27Å; I142-I146 HydrophobicContact CG1-CG1 4.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 3.23Å; R144-I146 PolarHBondContact O-N 3.43Å; I146-L149 HydrophobicContact CD1-CD1 4.34Å; I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 3.25Å
147S91.8Very high94.7Very high58 Ų5871.7 Ų71.741%0.40636%0.363SS..Hα-helixtrans-65-42.1176.5-61.80000111.8D143 R144 E145 K150 L151D143-S147 WeakPolarHBondContact O-CB 3.01Å; D143-S147 PolarHBondContact O-N 2.92Å; D143-S147 VanDerWaalsContact O-N 3.16Å; D143-S147 PolarHBondContact O-OG 3.21Å; R144-S147 WeakPolarHBondContact O-CB 3.28Å; R144-S147 PolarHBondContact O-N 3.05Å; R144-S147 VanDerWaalsContact O-N 3.11Å; E145-S147 VanDerWaalsContact C-N 3.3Å; E145-S147 PolarHBondContact O-N 3.36Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.49Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.4Å
148E95.5Very high94.8Very high100 Ų10076.6 Ų76.647%0.46738%0.375SS..Hα-helixtrans-66.7-42.6177.2-73.6-179.2-165.600112R144 E145 K150 L151 T152R144-E148 HydrophobicContact CG-CG 4.5Å; R144-E148 WeakPolarHBondContact CG-OE1 3.43Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 3.06Å; E145-E148 PolarHBondContact O-N 3.37Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 3.46Å; E148-L151 PolarHBondContact O-N 2.87Å; E148-T152 WeakPolarHBondContact O-CB 3.44Å; E148-T152 PolarHBondContact O-N 3.43Å; E148-T152 PolarHBondContact O-OG1 3.06Å
149L95.7Very high94.9Very high58 Ų5881.6 Ų81.630%0.30440%0.397SS..Hα-helixtrans-59-42.4173.3-73.6172.9000111.6L86 F90 E145 I146 T152 L153L86-L149 HydrophobicContact CD1-CB 4.38Å; L86-L149 HydrophobicContact CD2-CB 4.45Å; F90-L149 HydrophobicContact CD2-CD1 3.93Å; F90-L149 HydrophobicContact CE2-CD1 4.45Å; E145-L149 HydrophobicContact CG-CD1 4.4Å; E145-L149 WeakPolarHBondContact O-CB 3.41Å; E145-L149 VanDerWaalsContact O-CG 3.31Å; E145-L149 WeakPolarHBondContact O-CG 3.2Å; E145-L149 PolarHBondContact O-N 3.48Å; I146-L149 HydrophobicContact CD1-CD1 4.34Å; L149-T152 PolarHBondContact O-N 3.28Å; L149-L153 WeakPolarHBondContact O-CB 3.39Å; L149-L153 PolarHBondContact O-N 3.05Å
150K95.2Very high95.1Very high26 Ų2685.8 Ų85.811%0.11342%0.419CS..Hα-helixtrans-63.4-45.4177.2-173.3-173.9-165.5175.80112D80 L82 E83 L86 I146 S147 E148 L153 K154D80-K150 IonicContact OD1-NZ 3.74Å; D80-K150 PolarHBondContact OD1-NZ 3.09Å; D80-K150 WeakPolarHBondContact OD2-CE 3.17Å; D80-K150 IonicContact OD2-NZ 2.64Å; D80-K150 PolarHBondContact OD2-NZ 2.85Å; L82-K150 HydrophobicContact CD2-CG 3.92Å; L82-K150 HydrophobicContact CG-CG 4.5Å; E83-K150 HydrophobicContact CG-CD 3.81Å; E83-K150 WeakPolarHBondContact OE1-CD 3.18Å; E83-K150 IonicContact OE1-NZ 3.88Å; E83-K150 PolarHBondContact OE1-NZ 2.83Å; L86-K150 HydrophobicContact CD1-CB 3.83Å; L86-K150 HydrophobicContact CD1-CG 4.42Å; I146-K150 WeakPolarHBondContact O-CB 3.25Å; I146-K150 PolarHBondContact O-N 3.25Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.49Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 3.46Å; K150-L153 PolarHBondContact O-N 3.42Å; K150-K154 WeakPolarHBondContact O-CG 3.46Å; K150-K154 PolarHBondContact O-N 2.9Å; K150-K154 VanDerWaalsContact O-N 3.08Å
151L96Very high95.3Very high118 Ų11883.6 Ų83.662%0.61842%0.417SS*.Hα-helixtrans-63-44.5177.1-71.8173.4000111.2S147 E148 L153 K154 A155S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.4Å; E148-L151 PolarHBondContact O-N 2.87Å; L151-L153 VanDerWaalsContact C-N 3.35Å; L151-L153 PolarHBondContact O-N 2.78Å; L151-K154 PolarHBondContact O-N 3.22Å; L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.34Å
152T97.1Very high95.5Very high91 Ų9183.1 Ų83.156%0.55842%0.415SS*.Hα-helixtrans-60.2-44.6177.7-59.90000111.3E148 L149 K154 A155 R156E148-T152 WeakPolarHBondContact O-CB 3.44Å; E148-T152 PolarHBondContact O-N 3.43Å; E148-T152 PolarHBondContact O-OG1 3.06Å; L149-T152 PolarHBondContact O-N 3.28Å; T152-K154 PolarHBondContact O-N 2.79Å; T152-A155 PolarHBondContact O-N 3.5Å; T152-R156 WeakPolarHBondContact O-CB 3.43Å; T152-R156 PolarHBondContact O-N 2.89Å
153L96.5Very high95.6Very high88 Ų8886.3 Ų86.346%0.46143%0.429SS..Hα-helixtrans-61.8-45.5177.4-171.474.2000111.7L82 L149 K150 L151 R156 G157L82-L153 HydrophobicContact CD1-CD2 3.46Å; L82-L153 VanDerWaalsContact CD1-CD2 3.46Å; L82-L153 HydrophobicContact CD2-CD2 4.05Å; L82-L153 HydrophobicContact CG-CD2 4.31Å; L149-L153 WeakPolarHBondContact O-CB 3.39Å; L149-L153 PolarHBondContact O-N 3.05Å; K150-L153 PolarHBondContact O-N 3.42Å; L151-L153 VanDerWaalsContact C-N 3.35Å; L151-L153 PolarHBondContact O-N 2.78Å; L153-R156 PolarHBondContact O-N 2.91Å; L153-G157 PolarHBondContact O-N 3.34Å
154K95.9Very high96.1Very high113 Ų11390.2 Ų90.249%0.49144%0.444SS..Hα-helixtrans-64.8-41.6178.3-73.3-177.6177.7-172.50112.4K150 L151 T152 G157 R158K150-K154 WeakPolarHBondContact O-CG 3.46Å; K150-K154 PolarHBondContact O-N 2.9Å; K150-K154 VanDerWaalsContact O-N 3.08Å; L151-K154 PolarHBondContact O-N 3.22Å; T152-K154 PolarHBondContact O-N 2.79Å; K154-G157 PolarHBondContact O-N 2.88Å; K154-R158 PolarHBondContact O-N 3.5Å; K154-R158 VanDerWaalsContact O-N 3.09Å
155A97.7Very high96.3Very high47 Ų4788.2 Ų88.239%0.38845%0.445SS..Hα-helixtrans-63.2-45.7176.800000111.1L151 T152 G157 R158 F159L151-A155 WeakPolarHBondContact O-CB 3.38Å; L151-A155 PolarHBondContact O-N 3.34Å; T152-A155 PolarHBondContact O-N 3.5Å; A155-G157 VanDerWaalsContact C-N 3.34Å; A155-G157 PolarHBondContact O-N 3.17Å; A155-R158 PolarHBondContact O-N 2.91Å; A155-F159 PolarHBondContact O-N 2.85Å
156R97.8Very high96.3Very high175 Ų17591.2 Ų91.266%0.6646%0.457SS*.Hα-helixtrans-63.2-39.8176.2-170.4172.8-177171.61.1112.2T152 L153 R158 F159 I160T152-R156 WeakPolarHBondContact O-CB 3.43Å; T152-R156 PolarHBondContact O-N 2.89Å; L153-R156 PolarHBondContact O-N 2.91Å; R156-R158 PolarHBondContact O-N 3.15Å; R156-F159 PolarHBondContact O-N 2.77Å; R156-I160 HydrophobicContact CG-CD1 3.94Å; R156-I160 HydrophobicContact CG-CG1 4.48Å; R156-I160 VanDerWaalsContact O-CG1 3.25Å; R156-I160 WeakPolarHBondContact O-CG1 3.22Å; R156-I160 PolarHBondContact O-N 3.05Å
157G97.4Very high96Very high40 Ų40101.1 Ų101.141%0.41249%0.493SS..Hα-helixtrans-58.9-44174.500000112.8L153 K154 A155 I160 A161L153-G157 PolarHBondContact O-N 3.34Å; K154-G157 PolarHBondContact O-N 2.88Å; A155-G157 VanDerWaalsContact C-N 3.34Å; A155-G157 PolarHBondContact O-N 3.17Å; G157-I160 PolarHBondContact O-N 3.17Å; G157-A161 PolarHBondContact O-N 3.42Å; G157-A161 VanDerWaalsContact O-N 3.1Å
158R97.3Very high95.7Very high159 Ų159108 Ų10860%0.652%0.517SS*.Hα-helixtrans-62.1-49.3173.9-91.7-175-70.8140.1-3.7112.4K154 A155 R156 I160 A161 E162K154-R158 PolarHBondContact O-N 3.5Å; K154-R158 VanDerWaalsContact O-N 3.09Å; A155-R158 PolarHBondContact O-N 2.91Å; R156-R158 PolarHBondContact O-N 3.15Å; R158-I160 VanDerWaalsContact C-N 3.29Å; R158-I160 PolarHBondContact O-N 2.85Å; R158-A161 PolarHBondContact O-N 3.21Å; R158-A161 VanDerWaalsContact O-N 3.1Å; R158-E162 WeakPolarHBondContact O-CG 3.41Å; R158-E162 PolarHBondContact O-N 3.23Å
159F97.8Very high95.7Very high123 Ų123108.5 Ų108.554%0.53952%0.519SS..Hα-helixtrans-56.4-44.8178.9178-98.7000111.9A155 R156 A161 E162 E163A155-F159 PolarHBondContact O-N 2.85Å; R156-F159 PolarHBondContact O-N 2.77Å; F159-A161 VanDerWaalsContact C-N 3.35Å; F159-A161 PolarHBondContact O-N 2.62Å; F159-E162 PolarHBondContact O-N 3.12Å; F159-E163 HydrophobicContact CD1-CG 4.37Å; F159-E163 HydrophobicContact CD2-CG 4.43Å; F159-E163 HydrophobicContact CE1-CG 3.89Å; F159-E163 HydrophobicContact CE2-CG 3.95Å; F159-E163 HydrophobicContact CZ-CG 3.66Å; F159-E163 WeakPolarHBondContact O-CB 3.33Å; F159-E163 WeakPolarHBondContact O-CG 3.37Å; F159-E163 PolarHBondContact O-N 3.36Å
160I97.9Very high95.7Very high101 Ų101111.1 Ų111.152%0.51853%0.53SS..Hα-helixtrans-62.2-42.7177.5-67.6165.1000111.2R156 G157 R158 F164R156-I160 HydrophobicContact CG-CD1 3.94Å; R156-I160 HydrophobicContact CG-CG1 4.48Å; R156-I160 VanDerWaalsContact O-CG1 3.25Å; R156-I160 WeakPolarHBondContact O-CG1 3.22Å; R156-I160 PolarHBondContact O-N 3.05Å; G157-I160 PolarHBondContact O-N 3.17Å; R158-I160 VanDerWaalsContact C-N 3.29Å; R158-I160 PolarHBondContact O-N 2.85Å; I160-F164 WeakPolarHBondContact O-CB 3.48Å; I160-F164 PolarHBondContact O-N 2.89Å
161A97.6Very high95.8Very high49 Ų49115.8 Ų115.841%0.40555%0.554SS.*Hα-helixtrans-65.4-4417900000112.2G157 R158 F159 F164 L165G157-A161 PolarHBondContact O-N 3.42Å; G157-A161 VanDerWaalsContact O-N 3.1Å; R158-A161 PolarHBondContact O-N 3.21Å; R158-A161 VanDerWaalsContact O-N 3.1Å; F159-A161 VanDerWaalsContact C-N 3.35Å; F159-A161 PolarHBondContact O-N 2.62Å; A161-F164 PolarHBondContact O-N 2.9Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 2.93Å
162E97Very high95.8Very high104 Ų104115.7 Ų115.749%0.48655%0.55SS..Hα-helixtrans-62-46.2176.8-72170.6-165.100111.5R158 F159 F164 L165 K166R158-E162 WeakPolarHBondContact O-CG 3.41Å; R158-E162 PolarHBondContact O-N 3.23Å; F159-E162 PolarHBondContact O-N 3.12Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 2.98Å; E162-L165 PolarHBondContact O-N 3.36Å; E162-K166 WeakPolarHBondContact O-CG 3.4Å; E162-K166 PolarHBondContact O-N 3.26Å; E162-K166 VanDerWaalsContact O-N 3.17Å
163E96.8Very high95.7Very high72 Ų72117.3 Ų117.334%0.33655%0.549SS..Hα-helixtrans-65.3-35.7177.5-76.4-57.5135.800113.1F159 K166F159-E163 HydrophobicContact CD1-CG 4.37Å; F159-E163 HydrophobicContact CD2-CG 4.43Å; F159-E163 HydrophobicContact CE1-CG 3.89Å; F159-E163 HydrophobicContact CE2-CG 3.95Å; F159-E163 HydrophobicContact CZ-CG 3.66Å; F159-E163 WeakPolarHBondContact O-CB 3.33Å; F159-E163 WeakPolarHBondContact O-CG 3.37Å; F159-E163 PolarHBondContact O-N 3.36Å; E163-K166 IonicContact OE1-NZ 2.69Å; E163-K166 PolarHBondContact OE1-NZ 3.24Å
164F96.7Very high95.6Very high128 Ų128119.2 Ų119.256%0.56156%0.555SS**Hα-helixtrans-67.7-42.9175.9-177.2-102000111.8I160 A161 E162 K166 R167 F168I160-F164 WeakPolarHBondContact O-CB 3.48Å; I160-F164 PolarHBondContact O-N 2.89Å; A161-F164 PolarHBondContact O-N 2.9Å; E162-F164 VanDerWaalsContact C-N 3.34Å; E162-F164 PolarHBondContact O-N 2.98Å; F164-K166 PolarHBondContact O-N 3.27Å; F164-R167 PolarHBondContact O-N 2.84Å; F164-F168 HydrophobicContact CD1-CE2 4.03Å; F164-F168 HydrophobicContact CE1-CD2 4.42Å; F164-F168 AromaticContact CE1-CE2 3.46Å; F164-F168 HydrophobicContact CE1-CE2 3.46Å; F164-F168 VanDerWaalsContact CE1-CE2 3.46Å; F164-F168 HydrophobicContact CE1-CZ 4.1Å; F164-F168 HydrophobicContact CE2-CE2 4.3Å; F164-F168 AromaticContact CZ-CE2 3.62Å; F164-F168 HydrophobicContact CZ-CE2 3.62Å; F164-F168 AromaticContact CZ-CZ 3.97Å; F164-F168 HydrophobicContact CZ-CZ 3.97Å
165L96.2Very high95.6Very high114 Ų114119.6 Ų119.660%0.59756%0.56SS**Hα-helixtrans-69.8-27.8-178.4-72.4172.4000113.6A161 E162 R167 F168A161-L165 WeakPolarHBondContact O-CB 3.41Å; A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 2.93Å; E162-L165 PolarHBondContact O-N 3.36Å; L165-R167 PolarHBondContact O-N 3.45Å; L165-F168 PolarHBondContact O-N 3.5Å; L165-F168 VanDerWaalsContact O-N 3.17Å
166K94.9Very high95.4Very high142 Ų142125.2 Ų125.262%0.61757%0.573SS**THydrogen-bonded Turntrans-59.5-15.6173.7-75173.5-171.7174.70114.2E162 E163 F164E162-K166 WeakPolarHBondContact O-CG 3.4Å; E162-K166 PolarHBondContact O-N 3.26Å; E162-K166 VanDerWaalsContact O-N 3.17Å; E163-K166 IonicContact OE1-NZ 2.69Å; E163-K166 PolarHBondContact OE1-NZ 3.24Å; F164-K166 PolarHBondContact O-N 3.27Å
167R88.3Confident95.2Very high217 Ų217121.1 Ų121.182%0.81957%0.566SS**THydrogen-bonded Turntrans-91.9-2.7-178.8-61.2-174.4179-165-1.6113.9F164 L165F164-R167 PolarHBondContact O-N 2.84Å; L165-R167 PolarHBondContact O-N 3.45Å
168F85Confident95Very high204 Ų204128.5 Ų128.590%0.89558%0.579SS**  trans-107.90172.9-66.9-88.2000109.6F164 L165F164-F168 HydrophobicContact CD1-CE2 4.03Å; F164-F168 HydrophobicContact CE1-CD2 4.42Å; F164-F168 AromaticContact CE1-CE2 3.46Å; F164-F168 HydrophobicContact CE1-CE2 3.46Å; F164-F168 VanDerWaalsContact CE1-CE2 3.46Å; F164-F168 HydrophobicContact CE1-CZ 4.1Å; F164-F168 HydrophobicContact CE2-CE2 4.3Å; F164-F168 AromaticContact CZ-CE2 3.62Å; F164-F168 HydrophobicContact CZ-CE2 3.62Å; F164-F168 AromaticContact CZ-CZ 3.97Å; F164-F168 HydrophobicContact CZ-CZ 3.97Å; L165-F168 PolarHBondContact O-N 3.5Å; L165-F168 VanDerWaalsContact O-N 3.17Å

Retrieved 168 of 168 residues in 137.5 ms (Link to these results)

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