A0A077Z447_TRITR Loading...

Lig chan domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z447, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 417 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
1M46.6Very low86.6Confident231 Ų23161.7 Ų61.7100%1.13831%0.312SS*.  0123.70-76.6175.5177.800106.6E3M1-E3 PolarHBondContact O-N 3.27Å
2N64.9Low86.3Confident104 Ų10462.1 Ų62.156%0.55631%0.307SS*.  trans-7295.1178.7-71.317.4000108.5K46N2-K46 HydrophobicContact CB-CD 4.11Å; N2-K46 HydrophobicContact CB-CG 4.09Å
3E86.1Confident85.7Confident106 Ų10661.9 Ų61.950%0.49532%0.315SS..PPolyproline II helixtrans-58.6140.4172.6-80.3-168.2172.300110.2M1 K46 Y332M1-E3 PolarHBondContact O-N 3.27Å; E3-K46 PolarHBondContact O-N 3.1Å; E3-Y332 WeakPolarHBondContact OE2-CE2 3.36Å; E3-Y332 PolarHBondContact OE2-OH 3.03Å
4I93.8Very high85.4Confident98 Ų9860.1 Ų60.150%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-95.2116.9177.4-59.5173.2000107.1K46 Q48I4-K46 CarbonylContact C-O 3.53Å; I4-K46 WeakPolarHBondContact CA-O 3.13Å; I4-K46 HydrophobicContact CG1-CB 4.04Å; I4-Q48 HydrophobicContact CG2-CB 3.65Å
5L95.5Very high85.5Confident6 Ų656.9 Ų56.93%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-89.1121.1174-17071.9000109.9I7 C40 M45 K46 Q48 D80 I81 F330L5-I7 HydrophobicContact CD2-CD1 4.43Å; L5-I7 HydrophobicContact CD2-CG1 4.27Å; L5-I7 HydrophobicContact CG-CG1 4.36Å; L5-C40 WeakPolarHBondContact CD2-SG 3.44Å; L5-M45 HydrophobicContact CB-SD 4.21Å; L5-M45 HydrophobicContact CD1-SD 4.44Å; L5-M45 HydrophobicContact CD2-CE 4.31Å; L5-M45 HydrophobicContact CD2-SD 4.38Å; L5-K46 PolarHBondContact N-O 2.5Å; L5-Q48 PolarHBondContact O-N 3.07Å; L5-D80 HydrophobicContact CD1-CB 3.74Å; L5-I81 HydrophobicContact CD1-CG2 4.49Å; L5-I81 HydrophobicContact CD2-CG2 3.86Å; L5-I81 HydrophobicContact CG-CG2 4.11Å; L5-F330 HydrophobicContact CD1-CE2 3.54Å; L5-F330 HydrophobicContact CD1-CZ 3.65Å
6R96.8Very high85.9Confident60 Ų6059.3 Ų59.323%0.22630%0.296CS..EExtended strand (participates in β ladder)trans-87.8110.5177.5-60.5169.8-64.11615.6109.9Q48 V50 N77 E78 D80 I81R6-Q48 CarbonylContact C-O 3.55Å; R6-Q48 WeakPolarHBondContact CA-O 3.3Å; R6-V50 HydrophobicContact CB-CG2 4.11Å; R6-N77 PolarHBondContact NH1-O 3.1Å; R6-N77 PolarHBondContact NH2-O 3.25Å; R6-N77 PolarHBondContact NH2-OD1 3.21Å; R6-E78 PolarHBondContact NH1-O 3.43Å; R6-D80 WeakPolarHBondContact CB-OD2 3.42Å; R6-D80 IonicContact CZ-OD1 3.69Å; R6-D80 IonicContact CZ-OD2 3.58Å; R6-D80 PolarHBondContact N-OD2 2.91Å; R6-D80 VanDerWaalsContact N-OD2 3.17Å; R6-D80 IonicContact NE-OD1 3.76Å; R6-D80 IonicContact NE-OD2 2.86Å; R6-D80 PolarHBondContact NE-OD2 3.14Å; R6-D80 IonicContact NH2-OD1 3.57Å; R6-D80 PolarHBondContact NH2-OD1 3.39Å; R6-D80 IonicContact NH2-OD2 2.88Å; R6-D80 PolarHBondContact NH2-OD2 2.96Å; R6-D80 PolarHBondContact O-N 3.28Å; R6-I81 PolarHBondContact O-N 3.39Å
7I97.1Very high86.3Confident0 Ų056.3 Ų56.30%028%0.282CS..EExtended strand (participates in β ladder)trans-100.6118.3-178-54.7-171.8000109.3L5 V36 V47 Q48 F49 V50 I81L5-I7 HydrophobicContact CD2-CD1 4.43Å; L5-I7 HydrophobicContact CD2-CG1 4.27Å; L5-I7 HydrophobicContact CG-CG1 4.36Å; I7-V36 HydrophobicContact CD1-CG1 3.85Å; I7-V36 HydrophobicContact CD1-CG2 3.95Å; I7-V36 HydrophobicContact CG2-CG1 4.36Å; I7-V47 HydrophobicContact CD1-CG1 3.55Å; I7-V47 HydrophobicContact CD1-CG2 4.23Å; I7-V47 HydrophobicContact CG1-CG1 4.05Å; I7-Q48 PolarHBondContact N-O 3.06Å; I7-F49 HydrophobicContact CB-CD1 4.01Å; I7-F49 HydrophobicContact CB-CE1 4.3Å; I7-F49 HydrophobicContact CD1-CE1 4.35Å; I7-F49 HydrophobicContact CG2-CD1 4.24Å; I7-F49 HydrophobicContact CG2-CE1 4.34Å; I7-F49 WeakPolarHBondContact O-CA 3.45Å; I7-V50 PolarHBondContact O-N 2.03Å; I7-I81 WeakPolarHBondContact CA-O 3.42Å; I7-I81 HydrophobicContact CB-CG2 4.31Å; I7-I81 HydrophobicContact CG1-CG2 3.81Å; I7-I81 HydrophobicContact CG2-CG2 4.37Å
8G96.9Very high86.5Confident0 Ų060.2 Ų60.20%030%0.299CS..EExtended strand (participates in β ladder)trans-80.1123.5178.600000113.1V50 L70 I81 G83G8-V50 CarbonylContact C-O 3.54Å; G8-V50 WeakPolarHBondContact CA-O 3.4Å; G8-L70 VanDerWaalsContact C-CD2 3.42Å; G8-L70 WeakPolarHBondContact O-CD2 3.28Å; G8-I81 PolarHBondContact N-O 3.23Å; G8-G83 WeakPolarHBondContact O-CA 3.16Å; G8-G83 PolarHBondContact O-N 3.42Å
9V96.2Very high86.9Confident5 Ų557.3 Ų57.33%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-117.1118.3-178.7179.30000109.4M15 P17 L33 F49 V50 Y51 S52V9-M15 HydrophobicContact CB-CE 4.12Å; V9-M15 HydrophobicContact CG1-CE 3.3Å; V9-M15 HydrophobicContact CG2-CE 4.16Å; V9-P17 HydrophobicContact CB-CG 4.19Å; V9-P17 HydrophobicContact CG1-CG 3.47Å; V9-P17 VanDerWaalsContact CG1-CG 3.47Å; V9-P17 HydrophobicContact CG2-CG 4.08Å; V9-L33 HydrophobicContact CG2-CD2 4.13Å; V9-F49 HydrophobicContact CG2-CB 4.28Å; V9-F49 HydrophobicContact CG2-CD1 3.7Å; V9-F49 HydrophobicContact CG2-CE1 4.49Å; V9-F49 HydrophobicContact CG2-CG 4.31Å; V9-V50 PolarHBondContact N-O 3.15Å; V9-Y51 HydrophobicContact CB-CD1 4.46Å; V9-Y51 CarbonylContact O-C 3.52Å; V9-Y51 WeakPolarHBondContact O-CA 3.47Å; V9-S52 PolarHBondContact O-N 3.39Å
10A93.1Very high87.1Confident1 Ų156.7 Ų56.71%0.00828%0.279CS..  trans-88.6149.3168.400000110.7W12 G56 L70 N84A10-W12 PolarHBondContact O-N 3.13Å; A10-W12 VanDerWaalsContact O-N 3.09Å; A10-G56 WeakPolarHBondContact CB-O 3.32Å; A10-L70 HydrophobicContact CB-CD1 3.8Å; A10-L70 HydrophobicContact CB-CD2 4.31Å; A10-L70 HydrophobicContact CB-CG 3.97Å; A10-N84 PolarHBondContact N-OD1 3.44Å
11P86.1Confident87.1Confident68 Ų6860.7 Ų60.744%0.44230%0.302SS..  trans-57.6118.7177.9-22.332.2000110.9S52 N55P11-S52 WeakPolarHBondContact CD-O 3.07Å; P11-N55 WeakPolarHBondContact CB-OD1 3.14Å; P11-N55 VanDerWaalsContact CG-OD1 3.32Å; P11-N55 WeakPolarHBondContact CG-OD1 3.34Å
12W82.5Confident89Confident66 Ų6651.8 Ų51.825%0.2526%0.263CS..  trans-147.9130.7-178.2-173.3-124.4000110A10 F14 M15 F295 Y299A10-W12 PolarHBondContact O-N 3.13Å; A10-W12 VanDerWaalsContact O-N 3.09Å; W12-F14 AromaticContact CE2-CD2 3.94Å; W12-F14 HydrophobicContact CZ2-CD2 4Å; W12-F14 HydrophobicContact CZ2-CE2 4.4Å; W12-F14 AromaticContact NE1-CD2 3.8Å; W12-F14 PolarHBondContact O-N 3.26Å; W12-M15 HydrophobicContact CB-CB 4.3Å; W12-M15 PolarHBondContact O-N 3.22Å; W12-M15 VanDerWaalsContact O-N 3.07Å; W12-F295 AromaticContact CZ2-CD1 3.8Å; W12-F295 HydrophobicContact CZ2-CD1 3.8Å; W12-F295 HydrophobicContact CZ2-CE1 4.08Å; W12-Y299 AromaticContact CH2-CE1 3.58Å; W12-Y299 HydrophobicContact CH2-CE1 3.58Å; W12-Y299 AromaticContact CH2-CZ 3.87Å; W12-Y299 VanDerWaalsContact CH2-OH 3.28Å; W12-Y299 WeakPolarHBondContact CH2-OH 3.44Å; W12-Y299 AromaticContact CZ2-CE1 3.93Å; W12-Y299 HydrophobicContact CZ2-CE1 3.93Å
13S78.5Confident90Very high60 Ų6053 Ų5342%0.4228%0.276SS..THydrogen-bonded Turntrans-63.7-21.2-168.8560000114.3P274S13-P274 VanDerWaalsContact OG-CG 3.3Å; S13-P274 WeakPolarHBondContact OG-CG 3.35Å
14F81.1Confident90Very high37 Ų3752.1 Ų52.116%0.16228%0.275CS..THydrogen-bonded Turntrans-102.72.4-179-57.3-74.3000113.8W12 G30 P274 T298 Y299W12-F14 AromaticContact CE2-CD2 3.94Å; W12-F14 HydrophobicContact CZ2-CD2 4Å; W12-F14 HydrophobicContact CZ2-CE2 4.4Å; W12-F14 AromaticContact NE1-CD2 3.8Å; W12-F14 PolarHBondContact O-N 3.26Å; F14-G30 WeakPolarHBondContact O-CA 3.34Å; F14-P274 HydrophobicContact CE2-CG 3.91Å; F14-P274 HydrophobicContact CZ-CG 4.04Å; F14-T298 HydrophobicContact CB-CG2 4.5Å; F14-T298 HydrophobicContact CD1-CG2 3.6Å; F14-T298 HydrophobicContact CD2-CG2 3.69Å; F14-T298 HydrophobicContact CE1-CG2 3.63Å; F14-T298 HydrophobicContact CE2-CG2 3.73Å; F14-T298 HydrophobicContact CG-CG2 3.63Å; F14-T298 HydrophobicContact CZ-CG2 3.69Å; F14-T298 WeakPolarHBondContact CZ-O 3.28Å; F14-Y299 AromaticContact CE2-CD1 3.58Å; F14-Y299 HydrophobicContact CE2-CD1 3.58Å; F14-Y299 AromaticContact CE2-CE1 3.85Å; F14-Y299 HydrophobicContact CE2-CE1 3.85Å; F14-Y299 HydrophobicContact CZ-CD1 4.03Å
15M87.6Confident89.3Confident12 Ų1259.1 Ų59.16%0.05930%0.295CS..  trans-111126.3173.8-84.9176.737.600110.2V9 W12 L29 E32 L33 N84V9-M15 HydrophobicContact CB-CE 4.12Å; V9-M15 HydrophobicContact CG1-CE 3.3Å; V9-M15 HydrophobicContact CG2-CE 4.16Å; W12-M15 HydrophobicContact CB-CB 4.3Å; W12-M15 PolarHBondContact O-N 3.22Å; W12-M15 VanDerWaalsContact O-N 3.07Å; M15-L29 WeakPolarHBondContact CA-O 3.41Å; M15-E32 HydrophobicContact SD-CB 3.96Å; M15-E32 HydrophobicContact SD-CG 4.33Å; M15-L33 HydrophobicContact CB-CD1 4.15Å; M15-L33 HydrophobicContact CE-CD1 3.94Å; M15-L33 HydrophobicContact CE-CD2 3.77Å; M15-L33 HydrophobicContact CE-CG 3.75Å; M15-L33 HydrophobicContact CG-CD1 4.21Å; M15-L33 HydrophobicContact CG-CG 4.02Å; M15-L33 HydrophobicContact SD-CG 4.14Å; M15-N84 WeakPolarHBondContact CE-OD1 3.38Å; M15-N84 HydrophobicContact SD-CB 4.48Å; M15-N84 PolarHBondContact SD-ND2 2.95Å
16K91.3Very high88.8Confident94 Ų9466 Ų6641%0.40933%0.332SS..  trans-127.580.7-179.2-62.9-176.9-176.1177.40109.8E18 C19 L29K16-E18 VanDerWaalsContact C-OE2 3.26Å; K16-E18 WeakPolarHBondContact CA-OE2 3.49Å; K16-E18 HydrophobicContact CB-CG 4.43Å; K16-E18 WeakPolarHBondContact CB-OE1 3.37Å; K16-E18 PolarHBondContact O-N 3Å; K16-E18 VanDerWaalsContact O-N 3.14Å; K16-C19 HydrophobicContact CB-CB 4.36Å; K16-C19 VanDerWaalsContact CB-SG 3.53Å; K16-C19 WeakPolarHBondContact O-CB 3.48Å; K16-C19 PolarHBondContact O-N 2.97Å; K16-L29 PolarHBondContact N-O 3.39Å
17P92.5Very high88.5Confident9 Ų964.9 Ų64.96%0.05833%0.333CS..G310 helixtrans-54.4-29.8178.4-2433.7000113.4V9 C19 Y20 L33 F49 Y51V9-P17 HydrophobicContact CB-CG 4.19Å; V9-P17 HydrophobicContact CG1-CG 3.47Å; V9-P17 VanDerWaalsContact CG1-CG 3.47Å; V9-P17 HydrophobicContact CG2-CG 4.08Å; P17-C19 PolarHBondContact O-N 3.35Å; P17-Y20 WeakPolarHBondContact O-CB 3.46Å; P17-Y20 PolarHBondContact O-N 3.04Å; P17-Y20 VanDerWaalsContact O-N 3.13Å; P17-L33 HydrophobicContact CB-CD1 4.2Å; P17-L33 HydrophobicContact CG-CD1 3.81Å; P17-F49 HydrophobicContact CB-CB 4.43Å; P17-F49 HydrophobicContact CB-CD1 4.45Å; P17-F49 HydrophobicContact CB-CD2 3.86Å; P17-F49 HydrophobicContact CB-CE2 4.21Å; P17-F49 HydrophobicContact CB-CG 3.99Å; P17-Y51 HydrophobicContact CB-CE1 4.07Å; P17-Y51 HydrophobicContact CG-CE1 3.87Å
18E91.4Very high88Confident126 Ų12667.1 Ų67.159%0.58935%0.345SS*.G310 helixtrans-59.5-24.5175.164.7-85.8-162.500113.4K16 Y20K16-E18 VanDerWaalsContact C-OE2 3.26Å; K16-E18 WeakPolarHBondContact CA-OE2 3.49Å; K16-E18 HydrophobicContact CB-CG 4.43Å; K16-E18 WeakPolarHBondContact CB-OE1 3.37Å; K16-E18 PolarHBondContact O-N 3Å; K16-E18 VanDerWaalsContact O-N 3.14Å; E18-Y20 VanDerWaalsContact C-N 3.27Å; E18-Y20 PolarHBondContact O-N 3.44Å
19C92.7Very high87.7Confident5 Ų568.4 Ų68.43%0.03435%0.351CS..G310 helixtrans-74.3-13.5177.6-64.20000113.4K16 P17 N21 S22 C27 L29K16-C19 HydrophobicContact CB-CB 4.36Å; K16-C19 VanDerWaalsContact CB-SG 3.53Å; K16-C19 WeakPolarHBondContact O-CB 3.48Å; K16-C19 PolarHBondContact O-N 2.97Å; P17-C19 PolarHBondContact O-N 3.35Å; C19-N21 VanDerWaalsContact C-N 3.34Å; C19-N21 PolarHBondContact O-N 3.22Å; C19-S22 PolarHBondContact O-N 3.13Å; C19-S22 VanDerWaalsContact O-N 3.14Å; C19-C27 VanDerWaalsContact CA-SG 3.5Å; C19-C27 HydrophobicContact CB-CB 3.72Å; C19-C27 WeakPolarHBondContact CB-SG 3.37Å; C19-C27 VanDerWaalsContact SG-CA 3.57Å; C19-C27 WeakPolarHBondContact SG-CB 3.17Å; C19-C27 CovalentContact SG-SG 2.03Å; C19-C27 PolarHBondContact SG-SG 3.18Å; C19-L29 HydrophobicContact CB-CD1 3.9Å; C19-L29 HydrophobicContact CB-CG 3.97Å
20Y91.6Very high87.3Confident45 Ų4568.2 Ų68.218%0.17635%0.35CS..G310 helixtrans-57.9-40.5-172-179.3-118.9000115P17 E18 L29 T37 V47 F49P17-Y20 WeakPolarHBondContact O-CB 3.46Å; P17-Y20 PolarHBondContact O-N 3.04Å; P17-Y20 VanDerWaalsContact O-N 3.13Å; E18-Y20 VanDerWaalsContact C-N 3.27Å; E18-Y20 PolarHBondContact O-N 3.44Å; Y20-L29 HydrophobicContact CD2-CD2 3.83Å; Y20-L29 HydrophobicContact CG-CD2 4.33Å; Y20-T37 HydrophobicContact CD2-CG2 3.78Å; Y20-T37 HydrophobicContact CE2-CG2 3.66Å; Y20-V47 HydrophobicContact CE1-CB 4.04Å; Y20-F49 AromaticContact CD1-CE2 3.86Å; Y20-F49 HydrophobicContact CD1-CE2 3.86Å; Y20-F49 HydrophobicContact CD1-CZ 4.32Å; Y20-F49 HydrophobicContact CD2-CZ 4.33Å; Y20-F49 AromaticContact CG-CE2 3.73Å; Y20-F49 HydrophobicContact CG-CE2 3.73Å; Y20-F49 AromaticContact CG-CZ 3.96Å; Y20-F49 HydrophobicContact CG-CZ 3.96Å
21N86.5Confident87.2Confident141 Ų14168.6 Ų68.675%0.75435%0.352SS*.G310 helixtrans-11313.4177.4-66.7-33.6000111.9C19C19-N21 VanDerWaalsContact C-N 3.34Å; C19-N21 PolarHBondContact O-N 3.22Å
22S86.9Confident87.5Confident45 Ų4565.9 Ų65.932%0.31533%0.334SS..  trans-71.4134.9-179.7-174.90000109.8C19 D24C19-S22 PolarHBondContact O-N 3.13Å; C19-S22 VanDerWaalsContact O-N 3.14Å; S22-D24 PolarHBondContact O-N 3.22Å; S22-D24 PolarHBondContact OG-N 3.43Å
23P85.2Confident88Confident130 Ų13062.7 Ų62.784%0.84432%0.322SS*.SBendtrans-71.7-14.6171.929.9-34.1000112.4R25P23-R25 PolarHBondContact O-N 2.83Å
24D87.5Confident88.7Confident87 Ų8762.5 Ų62.547%0.46531%0.314SS..  trans-73.8112.1-179.9-176.77.8000111.2S22 N26 C27S22-D24 PolarHBondContact O-N 3.22Å; S22-D24 PolarHBondContact OG-N 3.43Å; D24-N26 PolarHBondContact O-N 3.3Å; D24-N26 WeakPolarHBondContact OD1-CB 3.45Å; D24-N26 PolarHBondContact OD1-N 2.63Å; D24-C27 HydrophobicContact CB-CB 4.2Å; D24-C27 VanDerWaalsContact O-CB 3.32Å; D24-C27 WeakPolarHBondContact O-CB 3.23Å; D24-C27 PolarHBondContact O-N 2.89Å; D24-C27 VanDerWaalsContact O-N 3.1Å
25R79.2Confident89.2Confident245 Ų24560.8 Ų60.893%0.92531%0.307SS*.THydrogen-bonded Turntrans-64-18.9177-67.3-173.1-176-174.21.5113.5P23 C27P23-R25 PolarHBondContact O-N 2.83Å; R25-C27 VanDerWaalsContact C-N 3.34Å
26N85Confident89.6Confident150 Ų15060.2 Ų60.280%0.80230%0.304SS*.THydrogen-bonded Turntrans-86.7-7.3177.7-66.6-22.8000112.8D24 D28D24-N26 PolarHBondContact O-N 3.3Å; D24-N26 WeakPolarHBondContact OD1-CB 3.45Å; D24-N26 PolarHBondContact OD1-N 2.63Å; N26-D28 PolarHBondContact O-N 2.95Å
27C88.7Confident89.7Confident36 Ų3656 Ų5624%0.24329%0.286CS..  trans-80.2100.9176.6-154.10000109.6C19 D24 R25C19-C27 VanDerWaalsContact CA-SG 3.5Å; C19-C27 HydrophobicContact CB-CB 3.72Å; C19-C27 WeakPolarHBondContact CB-SG 3.37Å; C19-C27 VanDerWaalsContact SG-CA 3.57Å; C19-C27 WeakPolarHBondContact SG-CB 3.17Å; C19-C27 CovalentContact SG-SG 2.03Å; C19-C27 PolarHBondContact SG-SG 3.18Å; D24-C27 HydrophobicContact CB-CB 4.2Å; D24-C27 VanDerWaalsContact O-CB 3.32Å; D24-C27 WeakPolarHBondContact O-CB 3.23Å; D24-C27 PolarHBondContact O-N 2.89Å; D24-C27 VanDerWaalsContact O-N 3.1Å; R25-C27 VanDerWaalsContact C-N 3.34Å
28D87.7Confident89.7Confident48 Ų4857.8 Ų57.826%0.25730%0.297SS..  trans-84.9126.1177.7-158.6-21.5000110.9N26 G30 K353 Y354N26-D28 PolarHBondContact O-N 2.95Å; D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 PolarHBondContact OD1-N 3.36Å; D28-K353 IonicContact OD1-NZ 3.83Å; D28-K353 IonicContact OD2-NZ 2.78Å; D28-K353 PolarHBondContact OD2-NZ 3.37Å; D28-Y354 PolarHBondContact OD1-OH 3.17Å; D28-Y354 PolarHBondContact OD2-OH 3.47Å; D28-Y354 VanDerWaalsContact OD2-OH 3.06Å
29L90.2Very high89.9Confident26 Ų2651.8 Ų51.814%0.13627%0.269CS..  trans-65.9-27178-90.692.8000112.9M15 K16 C19 Y20 L33 T37M15-L29 WeakPolarHBondContact CA-O 3.41Å; K16-L29 PolarHBondContact N-O 3.39Å; C19-L29 HydrophobicContact CB-CD1 3.9Å; C19-L29 HydrophobicContact CB-CG 3.97Å; Y20-L29 HydrophobicContact CD2-CD2 3.83Å; Y20-L29 HydrophobicContact CG-CD2 4.33Å; L29-L33 HydrophobicContact CB-CB 4.08Å; L29-L33 HydrophobicContact CD2-CB 3.97Å; L29-T37 HydrophobicContact CD2-CG2 4.38Å
30G89Confident90Very high1 Ų151.5 Ų51.51%0.0127%0.267CS..  trans97.7145.3-165.100000111.9F14 D28 E32 L33 E34 Y354F14-G30 WeakPolarHBondContact O-CA 3.34Å; D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 PolarHBondContact OD1-N 3.36Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.38Å; G30-L33 PolarHBondContact O-N 2.94Å; G30-E34 WeakPolarHBondContact O-CB 3.45Å; G30-E34 PolarHBondContact O-N 2.88Å; G30-Y354 VanDerWaalsContact C-OH 3.22Å; G30-Y354 WeakPolarHBondContact CA-OH 3.47Å; G30-Y354 PolarHBondContact N-OH 3.48Å
31L89.4Confident90Very high10 Ų1055.1 Ų55.15%0.05228%0.283CS..Hα-helixtrans-47.4-49.4-177.4175.467.3000113.2E34 L35 M103 F294 L350 Y354L31-E34 PolarHBondContact O-N 3.14Å; L31-L35 HydrophobicContact CD1-CD1 4.04Å; L31-L35 HydrophobicContact CD1-CG 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.22Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 2.78Å; L31-M103 HydrophobicContact CD2-CE 3.43Å; L31-M103 VanDerWaalsContact CD2-CE 3.43Å; L31-M103 HydrophobicContact CD2-SD 3.48Å; L31-M103 WeakPolarHBondContact CD2-SD 3.39Å; L31-F294 HydrophobicContact CD2-CE1 4.12Å; L31-F294 HydrophobicContact CD2-CZ 3.67Å; L31-L350 HydrophobicContact CD1-CB 3.29Å; L31-L350 HydrophobicContact CD1-CD1 4.08Å; L31-L350 HydrophobicContact CD1-CG 4.32Å; L31-Y354 HydrophobicContact CB-CD2 3.94Å; L31-Y354 HydrophobicContact CB-CE2 3.66Å; L31-Y354 HydrophobicContact CD1-CD2 4.43Å; L31-Y354 HydrophobicContact CD1-CE2 4.39Å; L31-Y354 PolarHBondContact N-OH 2.81Å; L31-Y354 VanDerWaalsContact N-OH 3.08Å
32E92.2Very high90.4Very high10 Ų1052.6 Ų52.65%0.04727%0.273CS..Hα-helixtrans-66.3-44.4-172.3-46.5-175.4157.300110.5M15 G30 V36 G83 N84 L85 F324M15-E32 HydrophobicContact SD-CB 3.96Å; M15-E32 HydrophobicContact SD-CG 4.33Å; G30-E32 VanDerWaalsContact C-N 3.3Å; G30-E32 PolarHBondContact O-N 3.38Å; E32-V36 PolarHBondContact O-N 2.76Å; E32-V36 VanDerWaalsContact O-N 3.11Å; E32-G83 VanDerWaalsContact CB-O 3.3Å; E32-G83 WeakPolarHBondContact CB-O 3.33Å; E32-N84 WeakPolarHBondContact OE2-CA 3.45Å; E32-N84 PolarHBondContact OE2-ND2 3.35Å; E32-L85 HydrophobicContact CB-CD1 4.48Å; E32-L85 HydrophobicContact CB-CG 4.19Å; E32-L85 VanDerWaalsContact CD-N 3.32Å; E32-L85 HydrophobicContact CG-CB 4.32Å; E32-L85 HydrophobicContact CG-CD1 3.87Å; E32-L85 HydrophobicContact CG-CG 3.87Å; E32-L85 WeakPolarHBondContact OE1-CB 3.39Å; E32-L85 PolarHBondContact OE2-N 2.82Å; E32-L85 VanDerWaalsContact OE2-N 3.1Å; E32-F324 HydrophobicContact CB-CE1 4.44Å; E32-F324 WeakPolarHBondContact O-CZ 3.37Å
33L93.9Very high90.7Very high0 Ų052.7 Ų52.70%027%0.27CS..Hα-helixtrans-73.4-36.5178.3-67.4-174.7000112.5V9 M15 P17 L29 G30 L35 V36 T37 F49V9-L33 HydrophobicContact CG2-CD2 4.13Å; M15-L33 HydrophobicContact CB-CD1 4.15Å; M15-L33 HydrophobicContact CE-CD1 3.94Å; M15-L33 HydrophobicContact CE-CD2 3.77Å; M15-L33 HydrophobicContact CE-CG 3.75Å; M15-L33 HydrophobicContact CG-CD1 4.21Å; M15-L33 HydrophobicContact CG-CG 4.02Å; M15-L33 HydrophobicContact SD-CG 4.14Å; P17-L33 HydrophobicContact CB-CD1 4.2Å; P17-L33 HydrophobicContact CG-CD1 3.81Å; L29-L33 HydrophobicContact CB-CB 4.08Å; L29-L33 HydrophobicContact CD2-CB 3.97Å; G30-L33 PolarHBondContact O-N 2.94Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 2.84Å; L33-V36 HydrophobicContact CD2-CG1 4.21Å; L33-V36 WeakPolarHBondContact O-CG1 3.36Å; L33-T37 VanDerWaalsContact O-CB 3.23Å; L33-T37 WeakPolarHBondContact O-CB 3.34Å; L33-T37 WeakPolarHBondContact O-CG2 3.47Å; L33-T37 PolarHBondContact O-N 2.95Å; L33-T37 PolarHBondContact O-OG1 3.06Å; L33-F49 HydrophobicContact CD2-CE1 3.95Å
34E92.3Very high91.1Very high56 Ų5652.5 Ų52.526%0.26226%0.262SS..Hα-helixtrans-61.2-42.9176.1-169.8170.4-172.500110.8G30 L31 T37 T38 L350G30-E34 WeakPolarHBondContact O-CB 3.45Å; G30-E34 PolarHBondContact O-N 2.88Å; L31-E34 PolarHBondContact O-N 3.14Å; E34-T37 PolarHBondContact O-OG1 3.08Å; E34-T38 VanDerWaalsContact O-CB 3.23Å; E34-T38 WeakPolarHBondContact O-CB 3.26Å; E34-T38 PolarHBondContact O-N 3.17Å; E34-T38 PolarHBondContact O-OG1 3.05Å; E34-L350 HydrophobicContact CG-CD1 4.3Å; E34-L350 WeakPolarHBondContact OE2-CD2 3.35Å
35L93.3Very high91.4Very high1 Ų149 Ų491%0.00524%0.243CC..Hα-helixtrans-64.7-56.7175.7-72.4171.3000112.2L31 L33 T37 T38 I39 V102 F324 M343 L350L31-L35 HydrophobicContact CD1-CD1 4.04Å; L31-L35 HydrophobicContact CD1-CG 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.22Å; L31-L35 WeakPolarHBondContact O-CG 3.36Å; L31-L35 PolarHBondContact O-N 2.78Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 2.84Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 3.35Å; L35-T38 PolarHBondContact O-N 3.45Å; L35-I39 WeakPolarHBondContact O-CG1 3.11Å; L35-I39 PolarHBondContact O-N 3.44Å; L35-I39 VanDerWaalsContact O-N 3.13Å; L35-V102 HydrophobicContact CD1-CG1 3.53Å; L35-F324 HydrophobicContact CB-CZ 4.38Å; L35-M343 HydrophobicContact CD2-CE 4.39Å; L35-L350 HydrophobicContact CD2-CD1 3.95Å; L35-L350 HydrophobicContact CG-CD1 4.24Å
36V94.3Very high92.2Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-61.9-39.5-174.776.30000111.2I7 E32 L33 I39 C40 I81 F324 F336I7-V36 HydrophobicContact CD1-CG1 3.85Å; I7-V36 HydrophobicContact CD1-CG2 3.95Å; I7-V36 HydrophobicContact CG2-CG1 4.36Å; E32-V36 PolarHBondContact O-N 2.76Å; E32-V36 VanDerWaalsContact O-N 3.11Å; L33-V36 HydrophobicContact CD2-CG1 4.21Å; L33-V36 WeakPolarHBondContact O-CG1 3.36Å; V36-I39 PolarHBondContact O-N 2.64Å; V36-C40 PolarHBondContact O-N 3.47Å; V36-C40 PolarHBondContact O-SG 3.43Å; V36-I81 HydrophobicContact CG2-CD1 4.06Å; V36-I81 HydrophobicContact CG2-CG2 4.43Å; V36-F324 HydrophobicContact CB-CE1 4.16Å; V36-F324 HydrophobicContact CB-CE2 4.47Å; V36-F324 HydrophobicContact CB-CZ 3.95Å; V36-F336 HydrophobicContact CB-CZ 4.33Å; V36-F336 HydrophobicContact CG2-CE2 4.21Å; V36-F336 HydrophobicContact CG2-CZ 3.56Å
37T94.5Very high92.7Very high4 Ų437.2 Ų37.23%0.02519%0.193CC..Hα-helixtrans-75.8-31.5-178.861.20000112.7Y20 L29 L33 E34 L35 I39 C40 K41 V47 F49Y20-T37 HydrophobicContact CD2-CG2 3.78Å; Y20-T37 HydrophobicContact CE2-CG2 3.66Å; L29-T37 HydrophobicContact CD2-CG2 4.38Å; L33-T37 VanDerWaalsContact O-CB 3.23Å; L33-T37 WeakPolarHBondContact O-CB 3.34Å; L33-T37 WeakPolarHBondContact O-CG2 3.47Å; L33-T37 PolarHBondContact O-N 2.95Å; L33-T37 PolarHBondContact O-OG1 3.06Å; E34-T37 PolarHBondContact O-OG1 3.08Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 3.35Å; T37-I39 VanDerWaalsContact C-N 3.35Å; T37-C40 WeakPolarHBondContact O-CB 3.23Å; T37-C40 PolarHBondContact O-N 2.86Å; T37-K41 WeakPolarHBondContact O-CG 3.49Å; T37-K41 PolarHBondContact O-N 2.78Å; T37-V47 HydrophobicContact CG2-CG1 4.46Å; T37-F49 HydrophobicContact CG2-CE1 4.25Å; T37-F49 HydrophobicContact CG2-CZ 3.9Å
38T93.1Very high93Very high47 Ų4740.2 Ų40.229%0.28820%0.203SC..Hα-helixtrans-64-43.3173-61.20000110.7E34 L35 C40 K41 V42 M343E34-T38 VanDerWaalsContact O-CB 3.23Å; E34-T38 WeakPolarHBondContact O-CB 3.26Å; E34-T38 PolarHBondContact O-N 3.17Å; E34-T38 PolarHBondContact O-OG1 3.05Å; L35-T38 PolarHBondContact O-N 3.45Å; T38-C40 VanDerWaalsContact C-N 3.32Å; T38-C40 PolarHBondContact O-N 3.06Å; T38-K41 WeakPolarHBondContact O-CB 3.13Å; T38-K41 PolarHBondContact O-N 3.06Å; T38-V42 WeakPolarHBondContact O-CG2 3.4Å; T38-V42 PolarHBondContact O-N 3.32Å; T38-M343 HydrophobicContact CG2-CE 3.43Å; T38-M343 VanDerWaalsContact CG2-CE 3.43Å; T38-M343 HydrophobicContact CG2-SD 4.33Å
39I94.4Very high93.5Very high0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-61.2-43174.2-66170.3000110.9L35 V36 T37 K41 V42 L43 F336 L339 L340 M343L35-I39 WeakPolarHBondContact O-CG1 3.11Å; L35-I39 PolarHBondContact O-N 3.44Å; L35-I39 VanDerWaalsContact O-N 3.13Å; V36-I39 PolarHBondContact O-N 2.64Å; T37-I39 VanDerWaalsContact C-N 3.35Å; I39-K41 VanDerWaalsContact C-N 3.3Å; I39-K41 PolarHBondContact O-N 3.13Å; I39-V42 PolarHBondContact O-N 2.98Å; I39-L43 HydrophobicContact CG2-CD1 3.84Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.41Å; I39-L43 PolarHBondContact O-N 3.2Å; I39-F336 HydrophobicContact CB-CE1 4.5Å; I39-F336 HydrophobicContact CB-CE2 3.97Å; I39-F336 HydrophobicContact CB-CZ 3.92Å; I39-F336 HydrophobicContact CD1-CD1 4.05Å; I39-F336 HydrophobicContact CD1-CE1 3.51Å; I39-F336 HydrophobicContact CD1-CE2 4.49Å; I39-F336 HydrophobicContact CD1-CZ 3.74Å; I39-F336 HydrophobicContact CG1-CZ 4.44Å; I39-F336 HydrophobicContact CG2-CD1 4.33Å; I39-F336 HydrophobicContact CG2-CD2 3.52Å; I39-F336 HydrophobicContact CG2-CE1 4.23Å; I39-F336 HydrophobicContact CG2-CE2 3.41Å; I39-F336 VanDerWaalsContact CG2-CE2 3.41Å; I39-F336 HydrophobicContact CG2-CG 3.97Å; I39-F336 HydrophobicContact CG2-CZ 3.76Å; I39-L339 HydrophobicContact CG1-CB 4.16Å; I39-L339 HydrophobicContact CG2-CB 4.2Å; I39-L339 HydrophobicContact CG2-CD1 3.83Å; I39-L340 HydrophobicContact CD1-CD2 3.45Å; I39-L340 VanDerWaalsContact CD1-CD2 3.45Å; I39-L340 HydrophobicContact CD1-CG 3.56Å; I39-M343 HydrophobicContact CD1-SD 4.24Å; I39-M343 HydrophobicContact CG1-SD 3.61Å
40C94.4Very high93.8Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-60-39.2176.1-65.50000112.6L5 V36 T37 T38 L43 N44 M45 V47L5-C40 WeakPolarHBondContact CD2-SG 3.44Å; V36-C40 PolarHBondContact O-N 3.47Å; V36-C40 PolarHBondContact O-SG 3.43Å; T37-C40 WeakPolarHBondContact O-CB 3.23Å; T37-C40 PolarHBondContact O-N 2.86Å; T38-C40 VanDerWaalsContact C-N 3.32Å; T38-C40 PolarHBondContact O-N 3.06Å; C40-L43 CarbonylContact O-C 3.54Å; C40-L43 PolarHBondContact O-N 2.87Å; C40-N44 PolarHBondContact O-N 3.22Å; C40-N44 VanDerWaalsContact O-N 3.14Å; C40-M45 HydrophobicContact CB-CB 4.32Å; C40-M45 PolarHBondContact O-N 3.11Å; C40-V47 HydrophobicContact CB-CG2 3.58Å
41K93.1Very high94.1Very high120 Ų12046.5 Ų46.552%0.52223%0.227SC..Hα-helixtrans-64-43.9175.8-73.3172.2-178.8174.50111.6T37 T38 I39 L43 N44T37-K41 WeakPolarHBondContact O-CG 3.49Å; T37-K41 PolarHBondContact O-N 2.78Å; T38-K41 WeakPolarHBondContact O-CB 3.13Å; T38-K41 PolarHBondContact O-N 3.06Å; I39-K41 VanDerWaalsContact C-N 3.3Å; I39-K41 PolarHBondContact O-N 3.13Å; K41-L43 VanDerWaalsContact C-N 3.3Å; K41-L43 PolarHBondContact O-N 3.48Å; K41-N44 PolarHBondContact O-N 3.26Å; K41-N44 VanDerWaalsContact O-N 3.13Å
42V93.8Very high94.3Very high88 Ų8846.6 Ų46.653%0.53323%0.229SC..Hα-helixtrans-62.2-39.7177175.10000111.2T38 I39 N44 L339T38-V42 WeakPolarHBondContact O-CG2 3.4Å; T38-V42 PolarHBondContact O-N 3.32Å; I39-V42 PolarHBondContact O-N 2.98Å; V42-N44 PolarHBondContact O-N 3.35Å; V42-L339 HydrophobicContact CB-CD1 4.23Å; V42-L339 HydrophobicContact CG1-CD1 3.89Å; V42-L339 HydrophobicContact CG1-CD2 3.89Å
43L93.8Very high94.2Very high48 Ų4856.1 Ų56.125%0.25127%0.27SS..THydrogen-bonded Turntrans-81.96.5177.8-63.5175.5000113.8I39 C40 K41 M45 D335 L339I39-L43 HydrophobicContact CG2-CD1 3.84Å; I39-L43 HydrophobicContact CG2-CG 4.44Å; I39-L43 WeakPolarHBondContact O-CG 3.41Å; I39-L43 PolarHBondContact O-N 3.2Å; C40-L43 CarbonylContact O-C 3.54Å; C40-L43 PolarHBondContact O-N 2.87Å; K41-L43 VanDerWaalsContact C-N 3.3Å; K41-L43 PolarHBondContact O-N 3.48Å; L43-M45 HydrophobicContact CB-CE 3.57Å; L43-M45 HydrophobicContact CB-CG 4.25Å; L43-M45 HydrophobicContact CD1-CE 3.38Å; L43-M45 HydrophobicContact CG-CE 4.1Å; L43-M45 PolarHBondContact O-N 2.96Å; L43-D335 HydrophobicContact CD1-CB 4.34Å; L43-D335 HydrophobicContact CD2-CB 4.02Å; L43-L339 HydrophobicContact CD1-CD1 3.99Å; L43-L339 HydrophobicContact CD2-CD1 3.69Å; L43-L339 HydrophobicContact CG-CD1 3.64Å
44N94.1Very high93.8Very high125 Ų12560.6 Ų60.667%0.66829%0.291SS*.THydrogen-bonded Turntrans5332.3-177.3-72.1-45.1000114.6C40 K41 V42C40-N44 PolarHBondContact O-N 3.22Å; C40-N44 VanDerWaalsContact O-N 3.14Å; K41-N44 PolarHBondContact O-N 3.26Å; K41-N44 VanDerWaalsContact O-N 3.13Å; V42-N44 PolarHBondContact O-N 3.35Å
45M93.9Very high93.3Very high15 Ų1562.6 Ų62.67%0.07430%0.303CS..  trans-89.7143.5176.8-70.4-169.8-84.200111.6L5 C40 L43 Y332L5-M45 HydrophobicContact CB-SD 4.21Å; L5-M45 HydrophobicContact CD1-SD 4.44Å; L5-M45 HydrophobicContact CD2-CE 4.31Å; L5-M45 HydrophobicContact CD2-SD 4.38Å; C40-M45 HydrophobicContact CB-CB 4.32Å; C40-M45 PolarHBondContact O-N 3.11Å; L43-M45 HydrophobicContact CB-CE 3.57Å; L43-M45 HydrophobicContact CB-CG 4.25Å; L43-M45 HydrophobicContact CD1-CE 3.38Å; L43-M45 HydrophobicContact CG-CE 4.1Å; L43-M45 PolarHBondContact O-N 2.96Å; M45-Y332 HydrophobicContact CE-CG 4.43Å; M45-Y332 HydrophobicContact SD-CD2 3.91Å; M45-Y332 HydrophobicContact SD-CE2 3.97Å; M45-Y332 HydrophobicContact SD-CG 4.3Å
46K94.9Very high92.9Very high120 Ų12064.1 Ų64.152%0.52232%0.319SS..EExtended strand (participates in β ladder)trans-81.9142168.3-75.8-178.2179-175.10109.1N2 E3 I4 L5N2-K46 HydrophobicContact CB-CD 4.11Å; N2-K46 HydrophobicContact CB-CG 4.09Å; E3-K46 PolarHBondContact O-N 3.1Å; I4-K46 CarbonylContact C-O 3.53Å; I4-K46 WeakPolarHBondContact CA-O 3.13Å; I4-K46 HydrophobicContact CG1-CB 4.04Å; L5-K46 PolarHBondContact N-O 2.5Å
47V95.3Very high92.7Very high26 Ų2664.9 Ų64.916%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-105133.7-178.4175.80000110I7 Y20 T37 C40 F49I7-V47 HydrophobicContact CD1-CG1 3.55Å; I7-V47 HydrophobicContact CD1-CG2 4.23Å; I7-V47 HydrophobicContact CG1-CG1 4.05Å; Y20-V47 HydrophobicContact CE1-CB 4.04Å; T37-V47 HydrophobicContact CG2-CG1 4.46Å; C40-V47 HydrophobicContact CB-CG2 3.58Å; V47-F49 HydrophobicContact CG1-CD1 4.2Å; V47-F49 HydrophobicContact CG1-CE1 3.75Å; V47-F49 HydrophobicContact CG1-CE2 4.2Å; V47-F49 HydrophobicContact CG1-CZ 3.76Å
48Q96.3Very high92.5Very high99 Ų9965.3 Ų65.346%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-124.8119.6167.8-179.2-178.512.700109.3I4 L5 R6 I7I4-Q48 HydrophobicContact CG2-CB 3.65Å; L5-Q48 PolarHBondContact O-N 3.07Å; R6-Q48 CarbonylContact C-O 3.55Å; R6-Q48 WeakPolarHBondContact CA-O 3.3Å; I7-Q48 PolarHBondContact N-O 3.06Å
49F96.6Very high92.3Very high33 Ų3367.4 Ų67.415%0.14534%0.335CS..EExtended strand (participates in β ladder)trans-81.2135.1173.3-59.8-63000111I7 V9 P17 Y20 L33 T37 V47 Y51I7-F49 HydrophobicContact CB-CD1 4.01Å; I7-F49 HydrophobicContact CB-CE1 4.3Å; I7-F49 HydrophobicContact CD1-CE1 4.35Å; I7-F49 HydrophobicContact CG2-CD1 4.24Å; I7-F49 HydrophobicContact CG2-CE1 4.34Å; I7-F49 WeakPolarHBondContact O-CA 3.45Å; V9-F49 HydrophobicContact CG2-CB 4.28Å; V9-F49 HydrophobicContact CG2-CD1 3.7Å; V9-F49 HydrophobicContact CG2-CE1 4.49Å; V9-F49 HydrophobicContact CG2-CG 4.31Å; P17-F49 HydrophobicContact CB-CB 4.43Å; P17-F49 HydrophobicContact CB-CD1 4.45Å; P17-F49 HydrophobicContact CB-CD2 3.86Å; P17-F49 HydrophobicContact CB-CE2 4.21Å; P17-F49 HydrophobicContact CB-CG 3.99Å; Y20-F49 AromaticContact CD1-CE2 3.86Å; Y20-F49 HydrophobicContact CD1-CE2 3.86Å; Y20-F49 HydrophobicContact CD1-CZ 4.32Å; Y20-F49 HydrophobicContact CD2-CZ 4.33Å; Y20-F49 AromaticContact CG-CE2 3.73Å; Y20-F49 HydrophobicContact CG-CE2 3.73Å; Y20-F49 AromaticContact CG-CZ 3.96Å; Y20-F49 HydrophobicContact CG-CZ 3.96Å; L33-F49 HydrophobicContact CD2-CE1 3.95Å; T37-F49 HydrophobicContact CG2-CE1 4.25Å; T37-F49 HydrophobicContact CG2-CZ 3.9Å; V47-F49 HydrophobicContact CG1-CD1 4.2Å; V47-F49 HydrophobicContact CG1-CE1 3.75Å; V47-F49 HydrophobicContact CG1-CE2 4.2Å; V47-F49 HydrophobicContact CG1-CZ 3.76Å; F49-Y51 HydrophobicContact CB-CE2 4.39Å
50V96.7Very high92.1Very high35 Ų3571.2 Ų71.221%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-123.3122.8175.2-1710000108.1R6 I7 G8 V9 M73 I79R6-V50 HydrophobicContact CB-CG2 4.11Å; I7-V50 PolarHBondContact O-N 2.03Å; G8-V50 CarbonylContact C-O 3.54Å; G8-V50 WeakPolarHBondContact CA-O 3.4Å; V9-V50 PolarHBondContact N-O 3.15Å; V50-M73 HydrophobicContact CB-CE 4.28Å; V50-M73 HydrophobicContact CG1-CE 3.52Å; V50-I79 HydrophobicContact CB-CG2 3.6Å; V50-I79 HydrophobicContact CG1-CG2 3.99Å; V50-I79 HydrophobicContact CG2-CG2 3.97Å
51Y95.5Very high91.8Very high139 Ų13974.7 Ų74.755%0.54537%0.37SS..EExtended strand (participates in β ladder)trans-90.6130.2-170.4-58.9-92.3000111.6V9 P17 F49V9-Y51 HydrophobicContact CB-CD1 4.46Å; V9-Y51 CarbonylContact O-C 3.52Å; V9-Y51 WeakPolarHBondContact O-CA 3.47Å; P17-Y51 HydrophobicContact CB-CE1 4.07Å; P17-Y51 HydrophobicContact CG-CE1 3.87Å; F49-Y51 HydrophobicContact CB-CE2 4.39Å
52S94.3Very high91.4Very high12 Ų1273.9 Ų73.98%0.08438%0.377CS..  trans-78.4139.1169.1175.70000110.2V9 P11 E54V9-S52 PolarHBondContact O-N 3.39Å; P11-S52 WeakPolarHBondContact CD-O 3.07Å; S52-E54 VanDerWaalsContact C-N 3.31Å; S52-E54 WeakPolarHBondContact CB-O 3.31Å; S52-E54 PolarHBondContact OG-N 2.72Å; S52-E54 PolarHBondContact OG-O 2.87Å
53K89.4Confident91Very high211 Ų21181.6 Ų81.692%0.91740%0.398SS*.SBendtrans-74.9-25.4169.1-64.9-178.1-179.6178.90112.3
54E85.9Confident90.8Very high93 Ų9381.1 Ų81.144%0.43540%0.399SS..SBendtrans-95.6146.8178.8-67.3179.6-152.100111.2S52 T68 G69S52-E54 VanDerWaalsContact C-N 3.31Å; S52-E54 WeakPolarHBondContact CB-O 3.31Å; S52-E54 PolarHBondContact OG-N 2.72Å; S52-E54 PolarHBondContact OG-O 2.87Å; E54-T68 WeakPolarHBondContact OE2-CB 3.19Å; E54-T68 PolarHBondContact OE2-OG1 2.85Å; E54-G69 PolarHBondContact OE2-N 2.75Å
55N82.1Confident90.6Very high98 Ų9884.8 Ų84.852%0.52440%0.403SS..SBendtrans-78.9139.7177.3-65.7-14.2000111.5P11P11-N55 WeakPolarHBondContact CB-OD1 3.14Å; P11-N55 VanDerWaalsContact CG-OD1 3.32Å; P11-N55 WeakPolarHBondContact CG-OD1 3.34Å
56G84.6Confident90.6Very high33 Ų3387.4 Ų87.434%0.3442%0.42SS..SBendtrans76.7-169.5176.200000114.9A10 G58A10-G56 WeakPolarHBondContact CB-O 3.32Å; G56-G58 VanDerWaalsContact C-N 3.27Å; G56-G58 PolarHBondContact O-N 3.3Å
57C90.9Very high90.6Very high17 Ų1781.8 Ų81.812%0.11540%0.395CS..SBendtrans-75.3-15.5-172.1-59.70000114.4L70 L71 C86C57-L70 PolarHBondContact O-N 2.89Å; C57-L71 WeakPolarHBondContact O-CB 3.4Å; C57-L71 WeakPolarHBondContact O-CG 3.42Å; C57-L71 PolarHBondContact O-N 2.86Å; C57-C86 HydrophobicContact CB-CB 3.71Å; C57-C86 WeakPolarHBondContact CB-SG 3.44Å; C57-C86 WeakPolarHBondContact SG-CA 3.34Å; C57-C86 WeakPolarHBondContact SG-CB 3.39Å; C57-C86 CovalentContact SG-SG 2.01Å; C57-C86 PolarHBondContact SG-SG 2.99Å
58G89.9Confident90.4Very high13 Ų1381.4 Ų81.413%0.13439%0.393CS..  trans91.5167.4-176.400000114.4G56 T68 R92G56-G58 VanDerWaalsContact C-N 3.27Å; G56-G58 PolarHBondContact O-N 3.3Å; G58-T68 VanDerWaalsContact CA-O 3.31Å; G58-T68 WeakPolarHBondContact CA-O 3.32Å; G58-R92 PolarHBondContact O-NH2 2.86Å
59K88.2Confident90.3Very high91 Ų9176.9 Ų76.940%0.39637%0.373SS..  trans-133.4155.7-176.461.7-177.7179.7-178.90110.8W67 T68 H244K59-W67 VanDerWaalsContact C-CE3 3.49Å; K59-W67 WeakPolarHBondContact O-CA 3.42Å; K59-T68 PolarHBondContact N-OG1 3.33Å; K59-T68 PolarHBondContact O-N 3.1Å; K59-H244 PolarHBondContact NZ-CE1 3.29Å; K59-H244 PolarHBondContact NZ-NE2 2.93Å; K59-H244 VanDerWaalsContact NZ-NE2 3.11Å
60K90Very high90.3Very high80 Ų8075.3 Ų75.335%0.34837%0.366SS..BIsolated β-bridgetrans-77.2128.8173.3-165.3169.6-179.2167.80109.5S64 W67 E95K60-S64 WeakPolarHBondContact CE-O 3.49Å; K60-W67 HydrophobicContact CB-CD2 3.97Å; K60-W67 HydrophobicContact CB-CE3 3.98Å; K60-W67 HydrophobicContact CB-CH2 3.88Å; K60-W67 HydrophobicContact CB-CZ2 3.88Å; K60-W67 HydrophobicContact CB-CZ3 3.93Å; K60-W67 HydrophobicContact CD-CH2 4.44Å; K60-W67 HydrophobicContact CD-CZ2 3.78Å; K60-W67 HydrophobicContact CG-CD2 4.37Å; K60-W67 HydrophobicContact CG-CZ2 4.18Å; K60-E95 WeakPolarHBondContact CE-OE1 3.43Å; K60-E95 IonicContact NZ-OE1 3.29Å; K60-E95 PolarHBondContact NZ-OE1 3.19Å
61L89.1Confident90.3Very high73 Ų7373.7 Ų73.738%0.38236%0.356SS..PPolyproline II helixtrans-70.4139.4175.5-74173000110.1Y63 S64 V66 T68L61-Y63 PolarHBondContact O-N 2.79Å; L61-S64 VanDerWaalsContact CB-OG 3.23Å; L61-S64 WeakPolarHBondContact CB-OG 3.49Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 PolarHBondContact O-OG 2.79Å; L61-V66 HydrophobicContact CD1-CB 4.21Å; L61-V66 HydrophobicContact CD1-CG1 4.04Å; L61-V66 PolarHBondContact N-O 3.09Å; L61-T68 HydrophobicContact CD1-CG2 4.27Å; L61-T68 HydrophobicContact CD2-CG2 4Å; L61-T68 HydrophobicContact CG-CG2 3.85Å
62P85.1Confident90.4Very high103 Ų10367 Ų6767%0.66933%0.33SS*.THydrogen-bonded Turntrans-53.2137.1-179-23.932.2000112S64P62-S64 PolarHBondContact O-N 3.44Å
63Y84.8Confident90.5Very high250 Ų25066.9 Ų66.998%0.9833%0.328SS*.THydrogen-bonded Turntrans5817.2177.9-46.9-75.4000115.4L61L61-Y63 PolarHBondContact O-N 2.79Å
64S89.1Confident90.9Very high37 Ų3756.9 Ų56.926%0.25929%0.285SS..SBendtrans-128.1163.6179.184.90000111.3K60 L61 P62 V66K60-S64 WeakPolarHBondContact CE-O 3.49Å; L61-S64 VanDerWaalsContact CB-OG 3.23Å; L61-S64 WeakPolarHBondContact CB-OG 3.49Å; L61-S64 PolarHBondContact O-N 2.85Å; L61-S64 PolarHBondContact O-OG 2.79Å; P62-S64 PolarHBondContact O-N 3.44Å; S64-V66 VanDerWaalsContact C-N 3.27Å; S64-V66 PolarHBondContact OG-N 2.86Å
65R89.7Confident91.3Very high202 Ų20256.6 Ų56.676%0.76228%0.283SS*.SBendtrans-92.918.1166.2-63.4-172.3-179.9-173.8-0112.1Q75R65-Q75 PolarHBondContact O-NE2 3.47Å; R65-Q75 PolarHBondContact O-OE1 3.32Å
66V93.8Very high92Very high70 Ų7057.9 Ų57.942%0.42428%0.281SS..  trans-96.8126.4-174.9-178.90000109.5L61 S64L61-V66 HydrophobicContact CD1-CB 4.21Å; L61-V66 HydrophobicContact CD1-CG1 4.04Å; L61-V66 PolarHBondContact N-O 3.09Å; S64-V66 VanDerWaalsContact C-N 3.27Å; S64-V66 PolarHBondContact OG-N 2.86Å
67W94.4Very high92.5Very high3 Ų360 Ų601%0.01128%0.284CS..BIsolated β-bridgetrans-98.7146.3171.4-6782000111.4K59 K60 L71 G72 D91 R92 E95 F96K59-W67 VanDerWaalsContact C-CE3 3.49Å; K59-W67 WeakPolarHBondContact O-CA 3.42Å; K60-W67 HydrophobicContact CB-CD2 3.97Å; K60-W67 HydrophobicContact CB-CE3 3.98Å; K60-W67 HydrophobicContact CB-CH2 3.88Å; K60-W67 HydrophobicContact CB-CZ2 3.88Å; K60-W67 HydrophobicContact CB-CZ3 3.93Å; K60-W67 HydrophobicContact CD-CH2 4.44Å; K60-W67 HydrophobicContact CD-CZ2 3.78Å; K60-W67 HydrophobicContact CG-CD2 4.37Å; K60-W67 HydrophobicContact CG-CZ2 4.18Å; W67-L71 HydrophobicContact CB-CB 4.03Å; W67-L71 HydrophobicContact CD2-CB 4.34Å; W67-L71 HydrophobicContact CD2-CD1 4.46Å; W67-L71 HydrophobicContact CE3-CB 4.13Å; W67-L71 HydrophobicContact CE3-CD1 3.66Å; W67-L71 HydrophobicContact CG-CB 4.33Å; W67-L71 HydrophobicContact CZ3-CD1 3.78Å; W67-G72 WeakPolarHBondContact O-CA 3.25Å; W67-D91 HydrophobicContact CH2-CB 4.4Å; W67-D91 WeakPolarHBondContact CH2-OD2 3.42Å; W67-R92 HydrophobicContact CH2-CB 4.39Å; W67-R92 HydrophobicContact CH2-CG 3.53Å; W67-R92 HydrophobicContact CZ2-CG 4.44Å; W67-R92 HydrophobicContact CZ3-CG 3.75Å; W67-E95 PolarHBondContact NE1-OE1 3.42Å; W67-E95 PolarHBondContact NE1-OE2 2.91Å; W67-F96 HydrophobicContact CB-CZ 4.35Å; W67-F96 AromaticContact CD1-CE2 3.77Å; W67-F96 AromaticContact CD1-CZ 3.75Å; W67-F96 AromaticContact CD2-CE2 3.87Å; W67-F96 HydrophobicContact CD2-CE2 3.87Å; W67-F96 HydrophobicContact CD2-CZ 4.39Å; W67-F96 AromaticContact CE2-CE2 3.76Å; W67-F96 AromaticContact CG-CE2 3.88Å; W67-F96 HydrophobicContact CG-CE2 3.88Å; W67-F96 AromaticContact CG-CZ 3.91Å; W67-F96 HydrophobicContact CG-CZ 3.91Å; W67-F96 HydrophobicContact CZ2-CE2 4.34Å; W67-F96 AromaticContact NE1-CE2 3.69Å
68T93Very high92.7Very high18 Ų1862.7 Ų62.711%0.1130%0.295CS..  trans-97.4-178.1171.684.50000110.8E54 G58 K59 L61 G72E54-T68 WeakPolarHBondContact OE2-CB 3.19Å; E54-T68 PolarHBondContact OE2-OG1 2.85Å; G58-T68 VanDerWaalsContact CA-O 3.31Å; G58-T68 WeakPolarHBondContact CA-O 3.32Å; K59-T68 PolarHBondContact N-OG1 3.33Å; K59-T68 PolarHBondContact O-N 3.1Å; L61-T68 HydrophobicContact CD1-CG2 4.27Å; L61-T68 HydrophobicContact CD2-CG2 4Å; L61-T68 HydrophobicContact CG-CG2 3.85Å; T68-G72 PolarHBondContact O-N 2.93Å
69G93.8Very high93.1Very high4 Ų462.1 Ų62.14%0.04129%0.289CS..Hα-helixtrans52.2-147178.200000114.8E54 L71 G72 M73E54-G69 PolarHBondContact OE2-N 2.75Å; G69-L71 PolarHBondContact O-N 3.06Å; G69-G72 WeakPolarHBondContact O-CA 3.46Å; G69-G72 PolarHBondContact O-N 2.88Å; G69-G72 VanDerWaalsContact O-N 3.15Å; G69-M73 WeakPolarHBondContact O-CG 3.45Å; G69-M73 PolarHBondContact O-N 3.28Å
70L96.5Very high93.5Very high0 Ų058.6 Ų58.60%028%0.275CS..Hα-helixtrans-61.5-40.2-177.2-65.1174.4000113.6G8 A10 C57 G72 M73 L74 I79 T82 N84G8-L70 VanDerWaalsContact C-CD2 3.42Å; G8-L70 WeakPolarHBondContact O-CD2 3.28Å; A10-L70 HydrophobicContact CB-CD1 3.8Å; A10-L70 HydrophobicContact CB-CD2 4.31Å; A10-L70 HydrophobicContact CB-CG 3.97Å; C57-L70 PolarHBondContact O-N 2.89Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.42Å; L70-M73 HydrophobicContact CD2-SD 4.11Å; L70-M73 WeakPolarHBondContact O-CB 3.17Å; L70-M73 PolarHBondContact O-N 2.75Å; L70-M73 VanDerWaalsContact O-N 3.12Å; L70-L74 PolarHBondContact O-N 2.77Å; L70-I79 HydrophobicContact CB-CD1 4.47Å; L70-I79 HydrophobicContact CD2-CD1 4.23Å; L70-T82 HydrophobicContact CB-CG2 3.95Å; L70-T82 HydrophobicContact CD1-CG2 4.41Å; L70-N84 HydrophobicContact CD1-CB 3.71Å; L70-N84 WeakPolarHBondContact CD1-OD1 3.45Å
71L96.8Very high93.8Very high0 Ų054.8 Ų54.80%026%0.258CS..Hα-helixtrans-64.5-36.5176.4-67172.2000111.2C57 W67 G69 L74 Q75 R92 F96 F325C57-L71 WeakPolarHBondContact O-CB 3.4Å; C57-L71 WeakPolarHBondContact O-CG 3.42Å; C57-L71 PolarHBondContact O-N 2.86Å; W67-L71 HydrophobicContact CB-CB 4.03Å; W67-L71 HydrophobicContact CD2-CB 4.34Å; W67-L71 HydrophobicContact CD2-CD1 4.46Å; W67-L71 HydrophobicContact CE3-CB 4.13Å; W67-L71 HydrophobicContact CE3-CD1 3.66Å; W67-L71 HydrophobicContact CG-CB 4.33Å; W67-L71 HydrophobicContact CZ3-CD1 3.78Å; G69-L71 PolarHBondContact O-N 3.06Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 WeakPolarHBondContact O-CB 3.31Å; L71-L74 PolarHBondContact O-N 3.49Å; L71-Q75 WeakPolarHBondContact O-CB 3.35Å; L71-Q75 PolarHBondContact O-N 3.16Å; L71-R92 HydrophobicContact CD1-CG 3.82Å; L71-F96 HydrophobicContact CB-CE2 3.91Å; L71-F96 HydrophobicContact CB-CZ 3.9Å; L71-F96 HydrophobicContact CD2-CD1 4.45Å; L71-F96 HydrophobicContact CD2-CD2 3.79Å; L71-F96 HydrophobicContact CD2-CE2 4Å; L71-F96 HydrophobicContact CD2-CG 4.03Å; L71-F96 HydrophobicContact CD2-CZ 4.42Å; L71-F96 HydrophobicContact CG-CE2 4.35Å; L71-F96 VanDerWaalsContact O-CE1 3.3Å; L71-F96 WeakPolarHBondContact O-CE1 3.42Å; L71-F96 VanDerWaalsContact O-CZ 3.26Å; L71-F96 WeakPolarHBondContact O-CZ 3.4Å; L71-F325 HydrophobicContact CD2-CB 3.89Å; L71-F325 HydrophobicContact CD2-CD1 3.95Å; L71-F325 HydrophobicContact CD2-CG 3.93Å
72G96.3Very high94.2Very high0 Ų051.3 Ų51.30%024%0.24CC..Hα-helixtrans-62.1-41.817000000113W67 T68 G69 L70 L74 Q75 R76W67-G72 WeakPolarHBondContact O-CA 3.25Å; T68-G72 PolarHBondContact O-N 2.93Å; G69-G72 WeakPolarHBondContact O-CA 3.46Å; G69-G72 PolarHBondContact O-N 2.88Å; G69-G72 VanDerWaalsContact O-N 3.15Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.42Å; G72-L74 VanDerWaalsContact C-N 3.34Å; G72-Q75 WeakPolarHBondContact O-CB 3.23Å; G72-Q75 PolarHBondContact O-N 3.11Å; G72-R76 VanDerWaalsContact C-NH1 3.31Å; G72-R76 WeakPolarHBondContact O-CG 3.44Å; G72-R76 PolarHBondContact O-N 3.41Å; G72-R76 PolarHBondContact O-NH1 3.49Å
73M97.4Very high94.7Very high9 Ų946.4 Ų46.44%0.04421%0.208CC..Hα-helixtrans-63.7-39175.8-61.618072.900111.6V50 G69 L70 R76 N77 E78 I79V50-M73 HydrophobicContact CB-CE 4.28Å; V50-M73 HydrophobicContact CG1-CE 3.52Å; G69-M73 WeakPolarHBondContact O-CG 3.45Å; G69-M73 PolarHBondContact O-N 3.28Å; L70-M73 HydrophobicContact CD2-SD 4.11Å; L70-M73 WeakPolarHBondContact O-CB 3.17Å; L70-M73 PolarHBondContact O-N 2.75Å; L70-M73 VanDerWaalsContact O-N 3.12Å; M73-R76 PolarHBondContact O-N 3.23Å; M73-N77 PolarHBondContact O-N 2.99Å; M73-N77 VanDerWaalsContact O-N 3.16Å; M73-E78 HydrophobicContact CB-CB 4.12Å; M73-E78 HydrophobicContact CE-CB 4.34Å; M73-E78 VanDerWaalsContact CG-OE2 3.28Å; M73-E78 WeakPolarHBondContact CG-OE2 3.41Å; M73-E78 PolarHBondContact O-N 3.17Å; M73-I79 HydrophobicContact CB-CD1 3.72Å; M73-I79 HydrophobicContact CB-CG1 3.76Å; M73-I79 HydrophobicContact CB-CG2 4.38Å; M73-I79 HydrophobicContact CE-CG2 3.9Å
74L97.1Very high95.2Very high1 Ų135 Ų351%0.00516%0.164CC..Hα-helixtrans-61.1-46.3171.6-80.1171.1000111.3L70 L71 G72 R76 N77 I79 D80 T82 F96 F325 R327L70-L74 PolarHBondContact O-N 2.77Å; L71-L74 HydrophobicContact CD2-CD1 4.16Å; L71-L74 WeakPolarHBondContact O-CB 3.31Å; L71-L74 PolarHBondContact O-N 3.49Å; G72-L74 VanDerWaalsContact C-N 3.34Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.95Å; L74-N77 PolarHBondContact O-N 3.38Å; L74-N77 VanDerWaalsContact O-N 3.11Å; L74-I79 HydrophobicContact CB-CG1 4.47Å; L74-I79 HydrophobicContact CD2-CD1 4.3Å; L74-I79 HydrophobicContact CD2-CG1 3.82Å; L74-I79 HydrophobicContact CG-CD1 3.93Å; L74-I79 HydrophobicContact CG-CG1 3.83Å; L74-D80 WeakPolarHBondContact CD2-O 3.39Å; L74-T82 HydrophobicContact CD1-CG2 3.77Å; L74-T82 HydrophobicContact CG-CG2 4.48Å; L74-F96 HydrophobicContact CB-CD1 4.04Å; L74-F96 HydrophobicContact CB-CE1 3.82Å; L74-F96 HydrophobicContact CD1-CD1 4.17Å; L74-F325 HydrophobicContact CD1-CB 3.89Å; L74-R327 HydrophobicContact CB-CG 4.48Å; L74-R327 HydrophobicContact CD2-CG 4.12Å; L74-R327 WeakPolarHBondContact O-CD 3.49Å
75Q95.3Very high95.4Very high86 Ų8633.6 Ų33.640%0.40215%0.154SC..Hα-helixtrans-61.8-38.6179.1-174.1179.7-1.400112R65 L71 G72 N77 F96R65-Q75 PolarHBondContact O-NE2 3.47Å; R65-Q75 PolarHBondContact O-OE1 3.32Å; L71-Q75 WeakPolarHBondContact O-CB 3.35Å; L71-Q75 PolarHBondContact O-N 3.16Å; G72-Q75 WeakPolarHBondContact O-CB 3.23Å; G72-Q75 PolarHBondContact O-N 3.11Å; Q75-N77 VanDerWaalsContact C-N 3.25Å; Q75-N77 PolarHBondContact O-N 3.29Å; Q75-F96 HydrophobicContact CB-CE1 4.16Å; Q75-F96 HydrophobicContact CB-CZ 4.23Å
76R95.5Very high95.5Very high126 Ų12624 Ų2448%0.47512%0.118SC..THydrogen-bonded Turntrans-82.14.4177-65.2-173.1-54.8-83.5-5.8114.1G72 M73 L74 E78G72-R76 VanDerWaalsContact C-NH1 3.31Å; G72-R76 WeakPolarHBondContact O-CG 3.44Å; G72-R76 PolarHBondContact O-N 3.41Å; G72-R76 PolarHBondContact O-NH1 3.49Å; M73-R76 PolarHBondContact O-N 3.23Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.95Å; R76-E78 HydrophobicContact CB-CG 4.07Å; R76-E78 IonicContact CZ-OE1 3.3Å; R76-E78 IonicContact CZ-OE2 2.75Å; R76-E78 IonicContact NE-OE1 3.56Å; R76-E78 PolarHBondContact NE-OE1 2.81Å; R76-E78 IonicContact NE-OE2 3.43Å; R76-E78 IonicContact NH2-OE1 3.63Å; R76-E78 PolarHBondContact NH2-OE1 2.82Å; R76-E78 IonicContact NH2-OE2 2.71Å; R76-E78 PolarHBondContact NH2-OE2 3.25Å; R76-E78 PolarHBondContact O-N 3.23Å
77N95.5Very high95.4Very high76 Ų7622.8 Ų22.841%0.40611%0.108SC..THydrogen-bonded Turntrans5732.2-177.8-171.830.1000113.6R6 M73 L74 Q75 R327R6-N77 PolarHBondContact NH1-O 3.1Å; R6-N77 PolarHBondContact NH2-O 3.25Å; R6-N77 PolarHBondContact NH2-OD1 3.21Å; M73-N77 PolarHBondContact O-N 2.99Å; M73-N77 VanDerWaalsContact O-N 3.16Å; L74-N77 PolarHBondContact O-N 3.38Å; L74-N77 VanDerWaalsContact O-N 3.11Å; Q75-N77 VanDerWaalsContact C-N 3.25Å; Q75-N77 PolarHBondContact O-N 3.29Å; N77-R327 PolarHBondContact OD1-NH1 3.49Å; N77-R327 PolarHBondContact OD1-NH2 3.2Å; N77-R327 VanDerWaalsContact OD1-NH2 3.1Å
78E96.6Very high95.3Very high75 Ų7525 Ų2535%0.3512%0.123SC..SBendtrans-81.4-29.4174.5-68.3167.3-171.600111R6 M73 R76R6-E78 PolarHBondContact NH1-O 3.43Å; M73-E78 HydrophobicContact CB-CB 4.12Å; M73-E78 HydrophobicContact CE-CB 4.34Å; M73-E78 VanDerWaalsContact CG-OE2 3.28Å; M73-E78 WeakPolarHBondContact CG-OE2 3.41Å; M73-E78 PolarHBondContact O-N 3.17Å; R76-E78 HydrophobicContact CB-CG 4.07Å; R76-E78 IonicContact CZ-OE1 3.3Å; R76-E78 IonicContact CZ-OE2 2.75Å; R76-E78 IonicContact NE-OE1 3.56Å; R76-E78 PolarHBondContact NE-OE1 2.81Å; R76-E78 IonicContact NE-OE2 3.43Å; R76-E78 IonicContact NH2-OE1 3.63Å; R76-E78 PolarHBondContact NH2-OE1 2.82Å; R76-E78 IonicContact NH2-OE2 2.71Å; R76-E78 PolarHBondContact NH2-OE2 3.25Å; R76-E78 PolarHBondContact O-N 3.23Å
79I97.1Very high95Very high0 Ų028 Ų280%013%0.134CC..  trans-133.2160.3179.862.9176.7000110.6V50 L70 M73 L74V50-I79 HydrophobicContact CB-CG2 3.6Å; V50-I79 HydrophobicContact CG1-CG2 3.99Å; V50-I79 HydrophobicContact CG2-CG2 3.97Å; L70-I79 HydrophobicContact CB-CD1 4.47Å; L70-I79 HydrophobicContact CD2-CD1 4.23Å; M73-I79 HydrophobicContact CB-CD1 3.72Å; M73-I79 HydrophobicContact CB-CG1 3.76Å; M73-I79 HydrophobicContact CB-CG2 4.38Å; M73-I79 HydrophobicContact CE-CG2 3.9Å; L74-I79 HydrophobicContact CB-CG1 4.47Å; L74-I79 HydrophobicContact CD2-CD1 4.3Å; L74-I79 HydrophobicContact CD2-CG1 3.82Å; L74-I79 HydrophobicContact CG-CD1 3.93Å; L74-I79 HydrophobicContact CG-CG1 3.83Å
80D96.7Very high94.8Very high18 Ų1836.1 Ų36.110%0.09617%0.165CC..SBendtrans-101.1-35178.7-61.8-55.6000112.1L5 R6 L74 W326 R327 F330L5-D80 HydrophobicContact CD1-CB 3.74Å; R6-D80 WeakPolarHBondContact CB-OD2 3.42Å; R6-D80 IonicContact CZ-OD1 3.69Å; R6-D80 IonicContact CZ-OD2 3.58Å; R6-D80 PolarHBondContact N-OD2 2.91Å; R6-D80 VanDerWaalsContact N-OD2 3.17Å; R6-D80 IonicContact NE-OD1 3.76Å; R6-D80 IonicContact NE-OD2 2.86Å; R6-D80 PolarHBondContact NE-OD2 3.14Å; R6-D80 IonicContact NH2-OD1 3.57Å; R6-D80 PolarHBondContact NH2-OD1 3.39Å; R6-D80 IonicContact NH2-OD2 2.88Å; R6-D80 PolarHBondContact NH2-OD2 2.96Å; R6-D80 PolarHBondContact O-N 3.28Å; L74-D80 WeakPolarHBondContact CD2-O 3.39Å; D80-W326 WeakPolarHBondContact O-CA 3.3Å; D80-W326 VanDerWaalsContact O-CB 3.26Å; D80-W326 WeakPolarHBondContact O-CB 3.37Å; D80-R327 IonicContact OD1-CZ 3.57Å; D80-R327 IonicContact OD1-NH2 3.49Å; D80-R327 PolarHBondContact OD1-NH2 2.82Å; D80-F330 HydrophobicContact CB-CE2 4.31Å
81I97Very high94.5Very high0 Ų039.5 Ų39.50%018%0.182CC..EExtended strand (participates in β ladder)trans-142151.2179.2-168.3171.5000110.6L5 R6 I7 G8 V36 F324 F325 W326 F336L5-I81 HydrophobicContact CD1-CG2 4.49Å; L5-I81 HydrophobicContact CD2-CG2 3.86Å; L5-I81 HydrophobicContact CG-CG2 4.11Å; R6-I81 PolarHBondContact O-N 3.39Å; I7-I81 WeakPolarHBondContact CA-O 3.42Å; I7-I81 HydrophobicContact CB-CG2 4.31Å; I7-I81 HydrophobicContact CG1-CG2 3.81Å; I7-I81 HydrophobicContact CG2-CG2 4.37Å; G8-I81 PolarHBondContact N-O 3.23Å; V36-I81 HydrophobicContact CG2-CD1 4.06Å; V36-I81 HydrophobicContact CG2-CG2 4.43Å; I81-F324 HydrophobicContact CD1-CB 4.07Å; I81-F324 HydrophobicContact CD1-CG 4.48Å; I81-F324 HydrophobicContact CG1-CB 4.17Å; I81-F325 CarbonylContact C-O 3.49Å; I81-F325 WeakPolarHBondContact CA-O 3.48Å; I81-W326 HydrophobicContact CD1-CE3 3.64Å; I81-W326 HydrophobicContact CD1-CZ3 3.99Å; I81-W326 HydrophobicContact CG1-CE3 3.98Å; I81-F336 HydrophobicContact CD1-CD1 4.42Å; I81-F336 HydrophobicContact CD1-CD2 4.35Å; I81-F336 HydrophobicContact CD1-CE1 3.97Å; I81-F336 HydrophobicContact CD1-CE2 3.89Å; I81-F336 HydrophobicContact CD1-CZ 3.72Å
82T97.1Very high94.4Very high0 Ų040.9 Ų40.90%019%0.188CC..EExtended strand (participates in β ladder)trans-74.8134.5167.364.80000110.4L70 L74 N84 F324 F325L70-T82 HydrophobicContact CB-CG2 3.95Å; L70-T82 HydrophobicContact CD1-CG2 4.41Å; L74-T82 HydrophobicContact CD1-CG2 3.77Å; L74-T82 HydrophobicContact CG-CG2 4.48Å; T82-N84 WeakPolarHBondContact CB-O 3.26Å; T82-N84 PolarHBondContact OG1-O 3.4Å; T82-F324 WeakPolarHBondContact O-CD1 3.49Å; T82-F325 HydrophobicContact CG2-CB 3.9Å; T82-F325 PolarHBondContact N-O 2.94Å; T82-F325 PolarHBondContact OG1-N 2.84Å
83G95.3Very high94.2Very high0 Ų043 Ų430%020%0.201CC..SBendtrans-81.8-25.8167.100000112G8 E32 F324G8-G83 WeakPolarHBondContact O-CA 3.16Å; G8-G83 PolarHBondContact O-N 3.42Å; E32-G83 VanDerWaalsContact CB-O 3.3Å; E32-G83 WeakPolarHBondContact CB-O 3.33Å; G83-F324 WeakPolarHBondContact O-CE1 3.47Å
84N94.3Very high94.1Very high9 Ų947.1 Ų47.15%0.04822%0.22CC..SBendtrans-81.4145170.1-65.186.1000111.6A10 M15 E32 L70 T82A10-N84 PolarHBondContact N-OD1 3.44Å; M15-N84 WeakPolarHBondContact CE-OD1 3.38Å; M15-N84 HydrophobicContact SD-CB 4.48Å; M15-N84 PolarHBondContact SD-ND2 2.95Å; E32-N84 WeakPolarHBondContact OE2-CA 3.45Å; E32-N84 PolarHBondContact OE2-ND2 3.35Å; L70-N84 HydrophobicContact CD1-CB 3.71Å; L70-N84 WeakPolarHBondContact CD1-OD1 3.45Å; T82-N84 WeakPolarHBondContact CB-O 3.26Å; T82-N84 PolarHBondContact OG1-O 3.4Å
85L93.4Very high93.9Very high9 Ų949.7 Ų49.75%0.04723%0.232CC..  trans-79.6133.5166.2-67.2172.7000109.7E32 V102 M103 F324E32-L85 HydrophobicContact CB-CD1 4.48Å; E32-L85 HydrophobicContact CB-CG 4.19Å; E32-L85 VanDerWaalsContact CD-N 3.32Å; E32-L85 HydrophobicContact CG-CB 4.32Å; E32-L85 HydrophobicContact CG-CD1 3.87Å; E32-L85 HydrophobicContact CG-CG 3.87Å; E32-L85 WeakPolarHBondContact OE1-CB 3.39Å; E32-L85 PolarHBondContact OE2-N 2.82Å; E32-L85 VanDerWaalsContact OE2-N 3.1Å; L85-V102 HydrophobicContact CD1-CB 4.1Å; L85-V102 HydrophobicContact CD1-CG1 3.89Å; L85-V102 HydrophobicContact CD2-CB 3.72Å; L85-V102 HydrophobicContact CD2-CG1 4.11Å; L85-V102 HydrophobicContact CD2-CG2 3.66Å; L85-M103 HydrophobicContact CD1-CE 3.23Å; L85-F324 HydrophobicContact CD2-CD1 3.67Å; L85-F324 HydrophobicContact CD2-CD2 3.84Å; L85-F324 HydrophobicContact CD2-CE1 3.55Å; L85-F324 HydrophobicContact CD2-CE2 3.71Å; L85-F324 HydrophobicContact CD2-CG 3.83Å; L85-F324 HydrophobicContact CD2-CZ 3.57Å; L85-F324 HydrophobicContact CG-CD1 4.42Å; L85-F324 HydrophobicContact CG-CE1 3.98Å; L85-F324 HydrophobicContact CG-CZ 4.13Å
86C93.5Very high94Very high1 Ų146.1 Ų46.11%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-120.9140.9-173.7-62.30000110.5C57 V88 T322 S323 F325C57-C86 HydrophobicContact CB-CB 3.71Å; C57-C86 WeakPolarHBondContact CB-SG 3.44Å; C57-C86 WeakPolarHBondContact SG-CA 3.34Å; C57-C86 WeakPolarHBondContact SG-CB 3.39Å; C57-C86 CovalentContact SG-SG 2.01Å; C57-C86 PolarHBondContact SG-SG 2.99Å; C86-V88 PolarHBondContact O-N 3.36Å; C86-T322 VanDerWaalsContact O-CA 3.3Å; C86-T322 WeakPolarHBondContact O-CA 3.4Å; C86-S323 PolarHBondContact N-O 2.94Å; C86-S323 PolarHBondContact O-N 3.47Å; C86-F325 HydrophobicContact CB-CD2 3.52Å; C86-F325 HydrophobicContact CB-CE2 3.49Å; C86-F325 VanDerWaalsContact CB-CE2 3.49Å
87D90.6Very high94Very high43 Ų4340.7 Ų40.723%0.2320%0.199CC..EExtended strand (participates in β ladder)trans-57131.6172.5-71.7-19.9000110.5F89 R92 T322D87-F89 HydrophobicContact CB-CD2 4.13Å; D87-F89 HydrophobicContact CB-CE2 3.52Å; D87-F89 HydrophobicContact CB-CZ 3.9Å; D87-F89 PolarHBondContact O-N 3.4Å; D87-R92 PolarHBondContact O-NH1 3.45Å; D87-T322 VanDerWaalsContact OD1-CG2 3.31Å; D87-T322 WeakPolarHBondContact OD1-CG2 3.49Å
88V92Very high94.1Very high51 Ų5139.2 Ų39.231%0.30919%0.192SC..  trans-82.9108.4178.9-1760000109.7C86 T93 V98 F321 S323 F325C86-V88 PolarHBondContact O-N 3.36Å; V88-T93 HydrophobicContact CG1-CG2 3.68Å; V88-V98 HydrophobicContact CG1-CG2 4.34Å; V88-V98 HydrophobicContact CG2-CG2 3.86Å; V88-F321 HydrophobicContact CG2-CB 4.33Å; V88-F321 PolarHBondContact N-O 3.29Å; V88-S323 WeakPolarHBondContact CG2-OG 3.44Å; V88-F325 HydrophobicContact CG2-CE2 4.36Å; V88-F325 HydrophobicContact CG2-CZ 4.23Å
89F88.3Confident94.1Very high79 Ų7935.9 Ų35.935%0.34618%0.177SC..  trans-114.8151173.1-65.1-66.5000110.9D87 D91 R92 T93D87-F89 HydrophobicContact CB-CD2 4.13Å; D87-F89 HydrophobicContact CB-CE2 3.52Å; D87-F89 HydrophobicContact CB-CZ 3.9Å; D87-F89 PolarHBondContact O-N 3.4Å; F89-D91 VanDerWaalsContact C-N 3.33Å; F89-D91 WeakPolarHBondContact CB-OD1 3.49Å; F89-D91 PolarHBondContact O-N 3Å; F89-R92 HydrophobicContact CB-CG 4.33Å; F89-R92 PolarHBondContact O-N 3.01Å; F89-R92 VanDerWaalsContact O-N 3.14Å; F89-T93 WeakPolarHBondContact O-CG2 3.34Å; F89-T93 PolarHBondContact O-N 3.29Å; F89-T93 VanDerWaalsContact O-N 3.08Å
90Y89Confident93.9Very high176 Ų17637.5 Ų37.569%0.6919%0.187SC*.Hα-helixtrans-55-47.8-178.3179.7-102.2000112R92 T93 Q94Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.07Å; Y90-T93 PolarHBondContact O-N 3.48Å; Y90-T93 VanDerWaalsContact O-N 3.16Å; Y90-T93 PolarHBondContact O-OG1 2.71Å; Y90-Q94 HydrophobicContact CD1-CG 4.32Å; Y90-Q94 HydrophobicContact CE1-CG 3.97Å; Y90-Q94 VanDerWaalsContact CZ-NE2 3.3Å; Y90-Q94 WeakPolarHBondContact O-CG 3.38Å; Y90-Q94 PolarHBondContact O-N 3.3Å; Y90-Q94 VanDerWaalsContact O-N 3.14Å; Y90-Q94 PolarHBondContact OH-NE2 3.35Å
91D89.9Confident93.7Very high70 Ų7040.6 Ų40.637%0.37421%0.208SC..Hα-helixtrans-57.9-39.6177.863.6-23.5000113.5W67 F89 Q94W67-D91 HydrophobicContact CH2-CB 4.4Å; W67-D91 WeakPolarHBondContact CH2-OD2 3.42Å; F89-D91 VanDerWaalsContact C-N 3.33Å; F89-D91 WeakPolarHBondContact CB-OD1 3.49Å; F89-D91 PolarHBondContact O-N 3Å; D91-Q94 PolarHBondContact O-N 3.33Å
92R93.6Very high93.5Very high29 Ų2941.4 Ų41.411%0.10921%0.213CC..Hα-helixtrans-65.6-44.1175.4-64.3178.7172173.2-3.5111.7G58 W67 L71 D87 F89 Y90 Q94 E95 F96 F325G58-R92 PolarHBondContact O-NH2 2.86Å; W67-R92 HydrophobicContact CH2-CB 4.39Å; W67-R92 HydrophobicContact CH2-CG 3.53Å; W67-R92 HydrophobicContact CZ2-CG 4.44Å; W67-R92 HydrophobicContact CZ3-CG 3.75Å; L71-R92 HydrophobicContact CD1-CG 3.82Å; D87-R92 PolarHBondContact O-NH1 3.45Å; F89-R92 HydrophobicContact CB-CG 4.33Å; F89-R92 PolarHBondContact O-N 3.01Å; F89-R92 VanDerWaalsContact O-N 3.14Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.07Å; R92-Q94 PolarHBondContact O-N 3.02Å; R92-E95 PolarHBondContact O-N 3.38Å; R92-E95 VanDerWaalsContact O-N 3.16Å; R92-F96 WeakPolarHBondContact O-CD2 3.48Å; R92-F96 PolarHBondContact O-N 2.93Å; R92-F325 HydrophobicContact CB-CE1 3.66Å; R92-F325 HydrophobicContact CB-CZ 4.1Å
93T94Very high93Very high46 Ų4642.5 Ų42.528%0.28222%0.219SC..Hα-helixtrans-66.7-22.9179.762.70000113.6V88 F89 Y90 E95 V98V88-T93 HydrophobicContact CG1-CG2 3.68Å; F89-T93 WeakPolarHBondContact O-CG2 3.34Å; F89-T93 PolarHBondContact O-N 3.29Å; F89-T93 VanDerWaalsContact O-N 3.08Å; Y90-T93 PolarHBondContact O-N 3.48Å; Y90-T93 VanDerWaalsContact O-N 3.16Å; Y90-T93 PolarHBondContact O-OG1 2.71Å; T93-E95 VanDerWaalsContact C-N 3.31Å; T93-E95 PolarHBondContact O-N 3.24Å; T93-V98 HydrophobicContact CG2-CG1 4.21Å
94Q93.5Very high92.7Very high95 Ų9547.4 Ų47.444%0.44424%0.241SC..Hα-helixtrans-70.7-26.3174.8-68.7-59.9-4500112.8Y90 D91 R92 K328Y90-Q94 HydrophobicContact CD1-CG 4.32Å; Y90-Q94 HydrophobicContact CE1-CG 3.97Å; Y90-Q94 VanDerWaalsContact CZ-NE2 3.3Å; Y90-Q94 WeakPolarHBondContact O-CG 3.38Å; Y90-Q94 PolarHBondContact O-N 3.3Å; Y90-Q94 VanDerWaalsContact O-N 3.14Å; Y90-Q94 PolarHBondContact OH-NE2 3.35Å; D91-Q94 PolarHBondContact O-N 3.33Å; R92-Q94 PolarHBondContact O-N 3.02Å; Q94-K328 WeakPolarHBondContact O-CE 3.48Å; Q94-K328 PolarHBondContact O-NZ 3.17Å
95E93.7Very high92.4Very high54 Ų5447.4 Ų47.425%0.25224%0.241SC..Hα-helixtrans-110.3-28.7-173.9-66-170.7-136.100113.2K60 W67 R92 T93K60-E95 WeakPolarHBondContact CE-OE1 3.43Å; K60-E95 IonicContact NZ-OE1 3.29Å; K60-E95 PolarHBondContact NZ-OE1 3.19Å; W67-E95 PolarHBondContact NE1-OE1 3.42Å; W67-E95 PolarHBondContact NE1-OE2 2.91Å; R92-E95 PolarHBondContact O-N 3.38Å; R92-E95 VanDerWaalsContact O-N 3.16Å; T93-E95 VanDerWaalsContact C-N 3.31Å; T93-E95 PolarHBondContact O-N 3.24Å
96F97Very high92.3Very high11 Ų1150.5 Ų50.55%0.04826%0.255CS..SBendtrans-121.4155.2-175.1-56.6-78.1000111.5W67 L71 L74 Q75 R92 F325W67-F96 HydrophobicContact CB-CZ 4.35Å; W67-F96 AromaticContact CD1-CE2 3.77Å; W67-F96 AromaticContact CD1-CZ 3.75Å; W67-F96 AromaticContact CD2-CE2 3.87Å; W67-F96 HydrophobicContact CD2-CE2 3.87Å; W67-F96 HydrophobicContact CD2-CZ 4.39Å; W67-F96 AromaticContact CE2-CE2 3.76Å; W67-F96 AromaticContact CG-CE2 3.88Å; W67-F96 HydrophobicContact CG-CE2 3.88Å; W67-F96 AromaticContact CG-CZ 3.91Å; W67-F96 HydrophobicContact CG-CZ 3.91Å; W67-F96 HydrophobicContact CZ2-CE2 4.34Å; W67-F96 AromaticContact NE1-CE2 3.69Å; L71-F96 HydrophobicContact CB-CE2 3.91Å; L71-F96 HydrophobicContact CB-CZ 3.9Å; L71-F96 HydrophobicContact CD2-CD1 4.45Å; L71-F96 HydrophobicContact CD2-CD2 3.79Å; L71-F96 HydrophobicContact CD2-CE2 4Å; L71-F96 HydrophobicContact CD2-CG 4.03Å; L71-F96 HydrophobicContact CD2-CZ 4.42Å; L71-F96 HydrophobicContact CG-CE2 4.35Å; L71-F96 VanDerWaalsContact O-CE1 3.3Å; L71-F96 WeakPolarHBondContact O-CE1 3.42Å; L71-F96 VanDerWaalsContact O-CZ 3.26Å; L71-F96 WeakPolarHBondContact O-CZ 3.4Å; L74-F96 HydrophobicContact CB-CD1 4.04Å; L74-F96 HydrophobicContact CB-CE1 3.82Å; L74-F96 HydrophobicContact CD1-CD1 4.17Å; Q75-F96 HydrophobicContact CB-CE1 4.16Å; Q75-F96 HydrophobicContact CB-CZ 4.23Å; R92-F96 WeakPolarHBondContact O-CD2 3.48Å; R92-F96 PolarHBondContact O-N 2.93Å; F96-F325 HydrophobicContact CB-CD1 3.86Å
97G96.8Very high92.2Very high13 Ų1350.5 Ų50.513%0.13426%0.255CS..EExtended strand (participates in β ladder)trans-77.3145164.600000109.7F325 W326G97-F325 WeakPolarHBondContact O-CA 3.48Å; G97-W326 PolarHBondContact N-O 2.94Å; G97-W326 PolarHBondContact O-N 3.3Å
98V96.8Very high92.4Very high45 Ų4548.5 Ų48.527%0.27324%0.244SC..EExtended strand (participates in β ladder)trans-123141.2-178.967.90000109.3V88 T93 S323 F325V88-V98 HydrophobicContact CG1-CG2 4.34Å; V88-V98 HydrophobicContact CG2-CG2 3.86Å; T93-V98 HydrophobicContact CG2-CG1 4.21Å; V98-S323 VanDerWaalsContact CG2-CB 3.41Å; V98-F325 HydrophobicContact CB-CD1 4.43Å; V98-F325 HydrophobicContact CB-CE1 4.15Å; V98-F325 HydrophobicContact CB-CZ 4.45Å; V98-F325 HydrophobicContact CG2-CD1 4.47Å; V98-F325 HydrophobicContact CG2-CE1 4.01Å; V98-F325 HydrophobicContact CG2-CE2 4.07Å; V98-F325 HydrophobicContact CG2-CZ 3.81Å
99S96.1Very high92.5Very high5 Ų546 Ų464%0.03523%0.23CC..PPolyproline II helixtrans-72.5166.5171.977.60000111.4S323 F324 W326 N337S99-S323 PolarHBondContact O-OG 3.4Å; S99-S323 WeakPolarHBondContact OG-CB 3.22Å; S99-F324 PolarHBondContact N-O 3.05Å; S99-F324 PolarHBondContact OG-N 2.84Å; S99-W326 VanDerWaalsContact CA-CH2 3.47Å; S99-W326 VanDerWaalsContact CB-CH2 3.42Å; S99-N337 WeakPolarHBondContact CA-OD1 3.47Å
100T93.9Very high92.9Very high34 Ų3442.3 Ų42.321%0.20921%0.213CC..SBendtrans-51.9142161.548.70000109.7V102 N337 M341T100-V102 PolarHBondContact O-N 3.15Å; T100-N337 HydrophobicContact CG2-CB 4.05Å; T100-N337 PolarHBondContact N-OD1 3.34Å; T100-M341 HydrophobicContact CG2-CG 4.01Å; T100-M341 HydrophobicContact CG2-SD 4.06Å
101P92.6Very high93.2Very high82 Ų8234.1 Ų34.153%0.53218%0.181SC..PPolyproline II helixtrans-52.4123.6177.8-29.536.9000111.7F321 S323P101-F321 HydrophobicContact CB-CB 4.09Å; P101-F321 HydrophobicContact CB-CD1 3.74Å; P101-F321 HydrophobicContact CB-CG 4.18Å; P101-F321 HydrophobicContact CG-CB 4.28Å; P101-F321 HydrophobicContact CG-CD1 4.12Å; P101-F321 HydrophobicContact CG-CG 4.25Å; P101-S323 WeakPolarHBondContact CA-OG 3.41Å
102V91.4Very high93.4Very high17 Ų1733.7 Ų33.710%0.10318%0.175CC..  trans-89.8-40.2-179.3-178.60000110.6L35 L85 T100 T322 F324 L340L35-V102 HydrophobicContact CD1-CG1 3.53Å; L85-V102 HydrophobicContact CD1-CB 4.1Å; L85-V102 HydrophobicContact CD1-CG1 3.89Å; L85-V102 HydrophobicContact CD2-CB 3.72Å; L85-V102 HydrophobicContact CD2-CG1 4.11Å; L85-V102 HydrophobicContact CD2-CG2 3.66Å; T100-V102 PolarHBondContact O-N 3.15Å; V102-T322 PolarHBondContact N-O 2.86Å; V102-F324 HydrophobicContact CG2-CD2 3.89Å; V102-F324 HydrophobicContact CG2-CE2 3.9Å; V102-L340 HydrophobicContact CG2-CD1 4.25Å; V102-L340 HydrophobicContact CG2-CD2 3.99Å
103M88Confident93.2Very high24 Ų2433.4 Ų33.412%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-135.1147174.5-71.6-171.7-81.900111.1L31 L85 F294 F321 T322L31-M103 HydrophobicContact CD2-CE 3.43Å; L31-M103 VanDerWaalsContact CD2-CE 3.43Å; L31-M103 HydrophobicContact CD2-SD 3.48Å; L31-M103 WeakPolarHBondContact CD2-SD 3.39Å; L85-M103 HydrophobicContact CD1-CE 3.23Å; M103-F294 HydrophobicContact CE-CD1 4.24Å; M103-F294 HydrophobicContact CE-CE1 3.95Å; M103-F294 HydrophobicContact CE-CZ 4.42Å; M103-F294 HydrophobicContact SD-CD1 3.92Å; M103-F294 HydrophobicContact SD-CD2 4.1Å; M103-F294 HydrophobicContact SD-CE1 3.76Å; M103-F294 HydrophobicContact SD-CE2 3.94Å; M103-F294 HydrophobicContact SD-CG 4.11Å; M103-F294 HydrophobicContact SD-CZ 3.78Å; M103-F321 WeakPolarHBondContact O-CA 3.34Å; M103-T322 WeakPolarHBondContact CB-OG1 3.27Å; M103-T322 PolarHBondContact N-O 3.35Å; M103-T322 PolarHBondContact O-N 3.08Å
104E88.5Confident92.7Very high102 Ų10233.7 Ų33.748%0.47718%0.178SC..EExtended strand (participates in β ladder)trans-111.4128.9169.8-176.9169.8-137.200108.1M319 K320 F321E104-M319 VanDerWaalsContact CD-CE 3.45Å; E104-M319 HydrophobicContact CG-CB 3.69Å; E104-M319 HydrophobicContact CG-CE 4.41Å; E104-M319 HydrophobicContact CG-CG 4.17Å; E104-M319 HydrophobicContact CG-SD 3.62Å; E104-M319 WeakPolarHBondContact OE1-CB 3.3Å; E104-M319 WeakPolarHBondContact OE1-CE 3.5Å; E104-K320 CarbonylContact C-O 3.59Å; E104-K320 WeakPolarHBondContact CA-O 3.47Å; E104-F321 HydrophobicContact CB-CD1 4.15Å; E104-F321 HydrophobicContact CB-CE1 4.04Å; E104-F321 HydrophobicContact CG-CD1 4.2Å; E104-F321 HydrophobicContact CG-CE1 3.76Å; E104-F321 HydrophobicContact CG-CZ 4.46Å; E104-F321 VanDerWaalsContact OE1-CE1 3.22Å; E104-F321 WeakPolarHBondContact OE1-CE1 3.1Å; E104-F321 VanDerWaalsContact OE1-CZ 3.31Å; E104-F321 WeakPolarHBondContact OE1-CZ 3.25Å
105Q88.1Confident91.7Very high9 Ų933.8 Ų33.84%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-137.6134.3-179.663.3-177.7-26.600112.1F294 F295 K320Q105-F294 HydrophobicContact CB-CB 4.31Å; Q105-F295 VanDerWaalsContact NE2-CE2 3.27Å; Q105-K320 HydrophobicContact CG-CB 4Å; Q105-K320 PolarHBondContact N-O 3.12Å; Q105-K320 PolarHBondContact O-N 3.41Å
106E90.6Very high90.2Very high74 Ų7433.9 Ų33.935%0.34620%0.195SC..  trans-73149.6167.5-63.7171.9175.300110.1G292 K293 S313 M319E106-G292 CarbonylContact O-C 3.57Å; E106-G292 WeakPolarHBondContact O-CA 3.32Å; E106-K293 HydrophobicContact CB-CB 4.49Å; E106-K293 HydrophobicContact CB-CD 4.48Å; E106-K293 WeakPolarHBondContact O-CB 3.26Å; E106-K293 PolarHBondContact O-N 3.29Å; E106-K293 IonicContact OE2-NZ 3.65Å; E106-K293 PolarHBondContact OE2-NZ 3.37Å; E106-S313 WeakPolarHBondContact OE2-CB 3.44Å; E106-S313 PolarHBondContact OE2-OG 3.37Å; E106-M319 HydrophobicContact CG-CG 4.33Å
107Q92.7Very high88.5Confident2 Ų235.5 Ų35.51%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-70.1141.2162.1-179.8161.2-75.700109.4P247 S248 V290 D314 V317Q107-P247 VanDerWaalsContact OE1-CB 3.31Å; Q107-S248 PolarHBondContact NE2-O 3.25Å; Q107-S248 PolarHBondContact OE1-O 3.44Å; Q107-V290 HydrophobicContact CG-CG1 3.9Å; Q107-D314 HydrophobicContact CB-CB 3.96Å; Q107-D314 HydrophobicContact CG-CB 4.12Å; Q107-D314 PolarHBondContact NE2-OD2 2.74Å; Q107-D314 WeakPolarHBondContact O-CB 3.5Å; Q107-D314 PolarHBondContact O-N 2.94Å; Q107-V317 HydrophobicContact CB-CB 4.49Å; Q107-V317 HydrophobicContact CB-CG1 4.38Å
108A94Very high86.6Confident0 Ų040.9 Ų40.90%025%0.248CC..EExtended strand (participates in β ladder)trans-143.9160.9176.700000111.4K291 K293 L296 L311 I312A108-K291 PolarHBondContact N-O 3.4Å; A108-K291 PolarHBondContact O-N 3.37Å; A108-K291 VanDerWaalsContact O-N 3.08Å; A108-K291 VanDerWaalsContact O-O 3.04Å; A108-K293 HydrophobicContact CB-CB 3.89Å; A108-K293 HydrophobicContact CB-CG 4.25Å; A108-L296 HydrophobicContact CB-CD1 3.97Å; A108-L296 WeakPolarHBondContact O-CD1 3.35Å; A108-L311 HydrophobicContact CB-CD1 3.84Å; A108-L311 HydrophobicContact CB-CG 4.47Å; A108-I312 CarbonylContact C-O 3.55Å; A108-I312 WeakPolarHBondContact CA-O 3.42Å; A108-I312 WeakPolarHBondContact CB-O 3.31Å
109Y95.1Very high84.7Confident0 Ų040.2 Ų40.20%024%0.243CC..EExtended strand (participates in β ladder)trans-111.9128.8179.3-42.8-54.4000108.7F218 N220 I221 L224 L289 V290 L311 I312 D314Y109-F218 HydrophobicContact CD1-CE2 4.39Å; Y109-F218 AromaticContact CD2-CD2 3.59Å; Y109-F218 HydrophobicContact CD2-CD2 3.59Å; Y109-F218 AromaticContact CD2-CE2 3.48Å; Y109-F218 HydrophobicContact CD2-CE2 3.48Å; Y109-F218 VanDerWaalsContact CD2-CE2 3.48Å; Y109-F218 AromaticContact CE2-CD2 3.82Å; Y109-F218 HydrophobicContact CE2-CD2 3.82Å; Y109-F218 HydrophobicContact CE2-CE2 4.13Å; Y109-F218 HydrophobicContact CG-CD2 4.16Å; Y109-F218 AromaticContact CG-CE2 3.6Å; Y109-F218 HydrophobicContact CG-CE2 3.6Å; Y109-N220 WeakPolarHBondContact OH-CA 2.99Å; Y109-N220 PolarHBondContact OH-O 2.74Å; Y109-I221 HydrophobicContact CE1-CD1 4.33Å; Y109-I221 WeakPolarHBondContact OH-CA 3.41Å; Y109-I221 PolarHBondContact OH-N 3.46Å; Y109-L224 HydrophobicContact CD1-CD2 4.31Å; Y109-L224 HydrophobicContact CE1-CD2 4.04Å; Y109-L289 WeakPolarHBondContact CA-O 3.15Å; Y109-V290 HydrophobicContact CD1-CB 4.37Å; Y109-V290 HydrophobicContact CD1-CG1 3.95Å; Y109-V290 HydrophobicContact CD1-CG2 3.83Å; Y109-V290 HydrophobicContact CE1-CG1 3.99Å; Y109-V290 HydrophobicContact CE1-CG2 4.25Å; Y109-L311 CarbonylContact O-C 3.41Å; Y109-L311 WeakPolarHBondContact O-CA 3.38Å; Y109-I312 HydrophobicContact CD2-CB 4.13Å; Y109-I312 HydrophobicContact CD2-CG2 4.1Å; Y109-I312 PolarHBondContact N-O 3.46Å; Y109-I312 PolarHBondContact O-N 2.93Å; Y109-D314 HydrophobicContact CE1-CB 4.44Å; Y109-D314 HydrophobicContact CE2-CB 4.14Å; Y109-D314 PolarHBondContact OH-OD2 3.3Å
110L95.7Very high83.2Confident0 Ų042.9 Ų42.90%026%0.262CS..EExtended strand (participates in β ladder)trans-110.7124.9172.8-169.770.1000108.8L278 L281 L289 L296 L300 F309 L311L110-L278 HydrophobicContact CD2-CD2 3.48Å; L110-L278 VanDerWaalsContact CD2-CD2 3.48Å; L110-L281 HydrophobicContact CD2-CD1 3.97Å; L110-L281 HydrophobicContact CG-CD1 4.29Å; L110-L289 HydrophobicContact CB-CB 4.31Å; L110-L289 PolarHBondContact N-O 2.88Å; L110-L289 PolarHBondContact O-N 3.18Å; L110-L296 HydrophobicContact CB-CD1 4.1Å; L110-L296 HydrophobicContact CB-CD2 4.02Å; L110-L296 HydrophobicContact CD2-CD2 4.18Å; L110-L300 HydrophobicContact CD1-CD1 3.81Å; L110-L300 HydrophobicContact CD2-CD1 4.33Å; L110-L300 HydrophobicContact CD2-CD2 4.34Å; L110-L300 HydrophobicContact CD2-CG 4.47Å; L110-F309 HydrophobicContact CD1-CB 3.71Å; L110-F309 HydrophobicContact CD1-CD1 4.39Å; L110-F309 HydrophobicContact CD1-CG 4.21Å; L110-F309 HydrophobicContact CD2-CD1 4.43Å; L110-F309 HydrophobicContact CG-CB 4.42Å; L110-F309 HydrophobicContact CG-CD1 4.19Å; L110-F309 HydrophobicContact CG-CG 4.47Å; L110-L311 HydrophobicContact CD1-CB 4.28Å; L110-L311 HydrophobicContact CD1-CD1 4.14Å
111L95.1Very high82.2Confident4 Ų441.7 Ų41.72%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-138.7165.5176.557.6146.3000109P217 F218 Y233 F309 W310 I312L111-P217 HydrophobicContact CD1-CG 4.17Å; L111-F218 HydrophobicContact CD2-CZ 4.35Å; L111-Y233 HydrophobicContact CD1-CE1 4.49Å; L111-F309 WeakPolarHBondContact O-CA 3.22Å; L111-W310 HydrophobicContact CD1-CE3 4.08Å; L111-W310 HydrophobicContact CD2-CB 4.48Å; L111-W310 HydrophobicContact CG-CB 4.17Å; L111-W310 PolarHBondContact N-O 3.3Å; L111-W310 VanDerWaalsContact N-O 3.12Å; L111-W310 PolarHBondContact O-N 2.89Å; L111-I312 HydrophobicContact CD2-CD1 3.55Å; L111-I312 HydrophobicContact CD2-CG1 4.07Å
112R93.6Very high81.3Confident61 Ų6140.8 Ų40.823%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-65141171.3-170.7-179.8-177.5173.95110.1L282 D285R112-L282 HydrophobicContact CG-CD2 4.05Å; R112-L282 PolarHBondContact NH1-O 3.2Å; R112-D285 WeakPolarHBondContact CD-OD1 3.26Å; R112-D285 IonicContact CZ-OD1 2.79Å; R112-D285 IonicContact NE-OD1 2.86Å; R112-D285 IonicContact NH1-OD1 3.82Å; R112-D285 PolarHBondContact NH1-OD1 3.3Å
113L89.8Confident80.6Confident24 Ų2440.7 Ų40.713%0.12625%0.248CC..PPolyproline II helixtrans-62.1126.7171.1-160.973.4000108.6T115 E308 W310 H363 V368L113-T115 PolarHBondContact O-N 2.96Å; L113-E308 VanDerWaalsContact CB-O 3.31Å; L113-E308 WeakPolarHBondContact CB-O 3.39Å; L113-E308 PolarHBondContact N-O 2.9Å; L113-W310 HydrophobicContact CD1-CB 3.92Å; L113-W310 HydrophobicContact CD1-CG 4.28Å; L113-H363 HydrophobicContact CD1-CB 3.9Å; L113-V368 HydrophobicContact CD1-CB 4.22Å; L113-V368 HydrophobicContact CD1-CG1 3.64Å; L113-V368 HydrophobicContact CD1-CG2 3.64Å; L113-V368 HydrophobicContact CD2-CG1 4.3Å; L113-V368 HydrophobicContact CG-CG1 4.08Å
114P84Confident80.1Confident51 Ų5141.9 Ų41.933%0.33126%0.262SS..PPolyproline II helixtrans-61.3129.2-179.824.2-32.6000109.3V214 W310P114-V214 HydrophobicContact CG-CB 4.49Å; P114-V214 HydrophobicContact CG-CG1 4.02Å; P114-W310 HydrophobicContact CG-CE3 4.29Å; P114-W310 HydrophobicContact CG-CZ3 4.09Å
115T73.3Confident79.7Confident97 Ų9740.9 Ų40.960%0.59526%0.262SS*.PPolyproline II helixtrans-69.2135.8167.554.50000107.8L113 G117L113-T115 PolarHBondContact O-N 2.96Å; T115-G117 PolarHBondContact O-N 3.21Å
116A62.1Low79.4Confident56 Ų5641.7 Ų41.746%0.46327%0.268SS..  trans-59.2107177.500000108.4
117G60.6Low79.1Confident45 Ų4540 Ų4046%0.46426%0.26SS..  trans-62159177.300000111.1T115 T119T115-G117 PolarHBondContact O-N 3.21Å; G117-T119 PolarHBondContact O-N 3.25Å
118P56.4Low78.9Confident127 Ų12743.5 Ų43.583%0.82529%0.285SS*.  trans-57.8114.9177.923.1-32000110.1S120P118-S120 VanDerWaalsContact C-N 3.25Å; P118-S120 PolarHBondContact O-N 3.36Å
119T58.2Low78.6Confident30 Ų3049 Ų4918%0.18431%0.314CS..  trans-85.559.3-175.345.40000111.5G117 F121 H210G117-T119 PolarHBondContact O-N 3.25Å; T119-F121 PolarHBondContact O-N 3.29Å; T119-H210 PolarHBondContact OG1-CE1 2.84Å; T119-H210 PolarHBondContact OG1-NE2 2.88Å
120S64.3Low78.5Confident62 Ų6251.9 Ų51.943%0.43434%0.338SS..  trans-64.9124.3170.362.10000109.5P118 T122P118-S120 VanDerWaalsContact C-N 3.25Å; P118-S120 PolarHBondContact O-N 3.36Å; S120-T122 PolarHBondContact O-N 2.91Å; S120-T122 PolarHBondContact O-OG1 2.95Å
121F71.7Confident78.3Confident8 Ų853.1 Ų53.14%0.03535%0.349CS..  trans-66119.2170.3171.7-99.7000109.3T119 A123 Y200 Y203 I204 A207 D382 P386T119-F121 PolarHBondContact O-N 3.29Å; F121-A123 HydrophobicContact CE1-CB 4.13Å; F121-Y200 HydrophobicContact CZ-CE1 4.27Å; F121-Y203 HydrophobicContact CD2-CE1 4.22Å; F121-Y203 AromaticContact CE2-CD1 3.95Å; F121-Y203 HydrophobicContact CE2-CD1 3.95Å; F121-Y203 AromaticContact CE2-CE1 3.47Å; F121-Y203 HydrophobicContact CE2-CE1 3.47Å; F121-Y203 VanDerWaalsContact CE2-CE1 3.47Å; F121-Y203 HydrophobicContact CZ-CE1 4.2Å; F121-I204 HydrophobicContact CE2-CB 4.3Å; F121-I204 HydrophobicContact CE2-CG1 3.76Å; F121-I204 HydrophobicContact CZ-CD1 4.42Å; F121-I204 HydrophobicContact CZ-CG1 3.65Å; F121-A207 HydrophobicContact CD2-CB 4.04Å; F121-A207 HydrophobicContact CE2-CB 4.4Å; F121-D382 VanDerWaalsContact CB-O 3.26Å; F121-D382 WeakPolarHBondContact CB-O 3.29Å; F121-D382 PolarHBondContact N-O 3.2Å; F121-P386 HydrophobicContact CD1-CG 3.47Å; F121-P386 VanDerWaalsContact CD1-CG 3.47Å; F121-P386 HydrophobicContact CE1-CG 3.59Å
122T74.8Confident78.1Confident63 Ų6356.4 Ų56.439%0.38736%0.361SS..  trans-103.1111.4178.1-17.90000109.2S120 A124 V125S120-T122 PolarHBondContact O-N 2.91Å; S120-T122 PolarHBondContact O-OG1 2.95Å; T122-A124 PolarHBondContact O-N 3.38Å; T122-V125 HydrophobicContact CG2-CG2 4.41Å; T122-V125 PolarHBondContact O-N 3.1Å; T122-V125 VanDerWaalsContact O-N 3.16Å
123A75.5Confident78Confident16 Ų1661.4 Ų61.413%0.13238%0.381CS..THydrogen-bonded Turntrans-60.5-22.2-174.300000114.3F121 P126 Y200 P386F121-A123 HydrophobicContact CE1-CB 4.13Å; A123-P126 VanDerWaalsContact O-CD 3.25Å; A123-P126 WeakPolarHBondContact O-CD 3.39Å; A123-Y200 VanDerWaalsContact CA-OH 3.25Å; A123-Y200 WeakPolarHBondContact CA-OH 3.28Å; A123-Y200 WeakPolarHBondContact CB-OH 3.15Å; A123-Y200 WeakPolarHBondContact O-CE2 3.44Å; A123-Y200 PolarHBondContact O-OH 3.05Å; A123-P386 HydrophobicContact CB-CG 4.43Å
124A77.4Confident78.2Confident48 Ų4864.7 Ų64.740%0.39740%0.398SS..THydrogen-bonded Turntrans-87.6-10.2-178.200000114.6T122 W132T122-A124 PolarHBondContact O-N 3.38Å; A124-W132 PolarHBondContact O-NE1 3.47Å
125V80.7Confident78.4Confident81 Ų8163.7 Ų63.749%0.49139%0.389SS..THydrogen-bonded Turntrans-75.2-24-176.2172.10000117T122 F127 Y203T122-V125 HydrophobicContact CG2-CG2 4.41Å; T122-V125 PolarHBondContact O-N 3.1Å; T122-V125 VanDerWaalsContact O-N 3.16Å; V125-F127 PolarHBondContact O-N 2.89Å; V125-Y203 HydrophobicContact CB-CE1 4.42Å; V125-Y203 HydrophobicContact CB-CE2 4.36Å; V125-Y203 WeakPolarHBondContact CB-OH 3.14Å; V125-Y203 HydrophobicContact CG1-CE2 3.75Å; V125-Y203 WeakPolarHBondContact CG1-OH 3.5Å
126P81.4Confident79.2Confident26 Ų2663.4 Ų63.417%0.16938%0.383CS..THydrogen-bonded Turntrans-58.8-26.9-173.61.5-7.2000114.6A123 Y200 Y203A123-P126 VanDerWaalsContact O-CD 3.25Å; A123-P126 WeakPolarHBondContact O-CD 3.39Å; P126-Y200 HydrophobicContact CB-CD2 3.95Å; P126-Y200 HydrophobicContact CB-CE2 4.22Å; P126-Y200 HydrophobicContact CG-CD2 3.32Å; P126-Y200 HydrophobicContact CG-CE2 3.11Å; P126-Y200 HydrophobicContact CG-CG 4.2Å; P126-Y203 HydrophobicContact CB-CD1 3.44Å; P126-Y203 VanDerWaalsContact CB-CD1 3.44Å; P126-Y203 HydrophobicContact CB-CD2 4.14Å; P126-Y203 HydrophobicContact CB-CE1 4.11Å; P126-Y203 HydrophobicContact CB-CG 3.47Å; P126-Y203 VanDerWaalsContact CB-CG 3.47Å; P126-Y203 VanDerWaalsContact CD-CE1 3.48Å; P126-Y203 HydrophobicContact CG-CD1 3.45Å; P126-Y203 VanDerWaalsContact CG-CD1 3.45Å; P126-Y203 HydrophobicContact CG-CE1 3.82Å; P126-Y203 HydrophobicContact CG-CG 4.05Å
127F85.4Confident80.7Confident38 Ų3867.3 Ų67.317%0.16739%0.39CS..SBendtrans-120.2142.7178.5-57.2-65.6000109.2V125 A131 W132 I135 L196 A199 Y200V125-F127 PolarHBondContact O-N 2.89Å; F127-A131 HydrophobicContact CB-CB 3.88Å; F127-W132 HydrophobicContact CB-CD2 4.25Å; F127-W132 HydrophobicContact CB-CG 4.22Å; F127-W132 HydrophobicContact CD2-CD2 4.32Å; F127-W132 AromaticContact CD2-CE2 3.87Å; F127-W132 AromaticContact CD2-CH2 3.93Å; F127-W132 HydrophobicContact CD2-CH2 3.93Å; F127-W132 AromaticContact CD2-CZ2 3.68Å; F127-W132 HydrophobicContact CD2-CZ2 3.68Å; F127-W132 HydrophobicContact CD2-CZ3 4.34Å; F127-W132 HydrophobicContact CE2-CH2 4.38Å; F127-W132 HydrophobicContact CE2-CZ2 4.47Å; F127-W132 VanDerWaalsContact O-CD1 3.3Å; F127-W132 PolarHBondContact O-NE1 3.21Å; F127-I135 HydrophobicContact CD1-CD1 4.48Å; F127-I135 HydrophobicContact CD2-CD1 4.02Å; F127-I135 HydrophobicContact CE2-CD1 4.27Å; F127-I135 HydrophobicContact CG-CD1 4.13Å; F127-L196 HydrophobicContact CE1-CD2 4.5Å; F127-L196 HydrophobicContact CE2-CD2 4.12Å; F127-L196 HydrophobicContact CZ-CD2 3.84Å; F127-A199 HydrophobicContact CE1-CB 4.11Å; F127-A199 HydrophobicContact CZ-CB 4.09Å; F127-Y200 AromaticContact CE2-CD2 3.99Å; F127-Y200 HydrophobicContact CE2-CD2 3.99Å
128S88.1Confident82.1Confident76 Ų7670.3 Ų70.353%0.53139%0.39SS..  trans-60156.4170.166.80000110A130 A131 W132S128-A130 PolarHBondContact O-N 2.85Å; S128-A130 VanDerWaalsContact O-N 3.17Å; S128-A131 WeakPolarHBondContact O-CA 3.34Å; S128-A131 WeakPolarHBondContact O-CB 3.26Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-A131 WeakPolarHBondContact OG-CB 3.48Å; S128-A131 PolarHBondContact OG-N 2.92Å; S128-W132 PolarHBondContact O-N 2.99Å
129N88Confident83.5Confident116 Ų11669.4 Ų69.462%0.6238%0.377SS*.Hα-helixtrans-53.4-40176.3-66.6-15.1000111.4A131 W132 Y133N129-A131 PolarHBondContact O-N 2.95Å; N129-W132 PolarHBondContact O-N 3.15Å; N129-Y133 HydrophobicContact CB-CE2 4.1Å; N129-Y133 WeakPolarHBondContact O-CD2 3.36Å; N129-Y133 PolarHBondContact O-N 3.38Å
130A92.7Very high85Confident60 Ų6073.5 Ų73.550%0.49640%0.396SS..Hα-helixtrans-59.5-45.5174.600000112.4S128 Y133 I134S128-A130 PolarHBondContact O-N 2.85Å; S128-A130 VanDerWaalsContact O-N 3.17Å; A130-Y133 PolarHBondContact O-N 3.14Å; A130-I134 VanDerWaalsContact O-CG1 3.28Å; A130-I134 WeakPolarHBondContact O-CG1 3.41Å; A130-I134 PolarHBondContact O-N 3.11Å
131A90.3Very high86.1Confident27 Ų2772.6 Ų72.622%0.22339%0.392CS..Hα-helixtrans-65-39.3177.400000112.1F127 S128 N129 I134 I135F127-A131 HydrophobicContact CB-CB 3.88Å; S128-A131 WeakPolarHBondContact O-CA 3.34Å; S128-A131 WeakPolarHBondContact O-CB 3.26Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-A131 WeakPolarHBondContact OG-CB 3.48Å; S128-A131 PolarHBondContact OG-N 2.92Å; N129-A131 PolarHBondContact O-N 2.95Å; A131-I134 PolarHBondContact O-N 3.36Å; A131-I135 WeakPolarHBondContact O-CD1 3.4Å; A131-I135 VanDerWaalsContact O-CG1 3.25Å; A131-I135 WeakPolarHBondContact O-CG1 3.45Å; A131-I135 PolarHBondContact O-N 3.41Å
132W91.2Very high86.6Confident72 Ų7279.3 Ų79.327%0.27342%0.422SS..Hα-helixtrans-59.9-45.4172.5-80.9117.9000112.6A124 F127 S128 N129 I134 I135 I136 Y200A124-W132 PolarHBondContact O-NE1 3.47Å; F127-W132 HydrophobicContact CB-CD2 4.25Å; F127-W132 HydrophobicContact CB-CG 4.22Å; F127-W132 HydrophobicContact CD2-CD2 4.32Å; F127-W132 AromaticContact CD2-CE2 3.87Å; F127-W132 AromaticContact CD2-CH2 3.93Å; F127-W132 HydrophobicContact CD2-CH2 3.93Å; F127-W132 AromaticContact CD2-CZ2 3.68Å; F127-W132 HydrophobicContact CD2-CZ2 3.68Å; F127-W132 HydrophobicContact CD2-CZ3 4.34Å; F127-W132 HydrophobicContact CE2-CH2 4.38Å; F127-W132 HydrophobicContact CE2-CZ2 4.47Å; F127-W132 VanDerWaalsContact O-CD1 3.3Å; F127-W132 PolarHBondContact O-NE1 3.21Å; S128-W132 PolarHBondContact O-N 2.99Å; N129-W132 PolarHBondContact O-N 3.15Å; W132-I134 VanDerWaalsContact C-N 3.29Å; W132-I134 PolarHBondContact O-N 2.95Å; W132-I135 HydrophobicContact CE3-CD1 4.34Å; W132-I135 PolarHBondContact O-N 3.31Å; W132-I136 VanDerWaalsContact O-CG1 3.32Å; W132-I136 WeakPolarHBondContact O-CG1 3.5Å; W132-I136 PolarHBondContact O-N 2.93Å; W132-Y200 HydrophobicContact CH2-CE2 4.43Å; W132-Y200 HydrophobicContact CZ2-CE2 4.41Å
133Y92.8Very high87.1Confident166 Ų16679.2 Ų79.265%0.65142%0.416SS*.Hα-helixtrans-61.4-39.8176.5-65-49.1000112N129 A130 I136 F137N129-Y133 HydrophobicContact CB-CE2 4.1Å; N129-Y133 WeakPolarHBondContact O-CD2 3.36Å; N129-Y133 PolarHBondContact O-N 3.38Å; A130-Y133 PolarHBondContact O-N 3.14Å; Y133-I136 PolarHBondContact O-N 2.92Å; Y133-F137 WeakPolarHBondContact O-CB 3.35Å; Y133-F137 PolarHBondContact O-N 2.91Å
134I92.6Very high87.6Confident94 Ų9483.3 Ų83.348%0.48244%0.435SS..Hα-helixtrans-63.9-44.7175.8-69.4166.5000111A130 A131 W132 F137 F138A130-I134 VanDerWaalsContact O-CG1 3.28Å; A130-I134 WeakPolarHBondContact O-CG1 3.41Å; A130-I134 PolarHBondContact O-N 3.11Å; A131-I134 PolarHBondContact O-N 3.36Å; W132-I134 VanDerWaalsContact C-N 3.29Å; W132-I134 PolarHBondContact O-N 2.95Å; I134-F137 PolarHBondContact O-N 3.12Å; I134-F138 HydrophobicContact CG2-CD2 3.58Å; I134-F138 HydrophobicContact CG2-CE2 3.47Å; I134-F138 VanDerWaalsContact CG2-CE2 3.47Å; I134-F138 WeakPolarHBondContact O-CD2 3.31Å; I134-F138 PolarHBondContact O-N 2.91Å
135I89.5Confident88Confident29 Ų2983.8 Ų83.815%0.14944%0.439CS..Hα-helixtrans-61-49.3177.7-68.3161.6000110.4F127 A131 W132 F137 F138 I139 L196F127-I135 HydrophobicContact CD1-CD1 4.48Å; F127-I135 HydrophobicContact CD2-CD1 4.02Å; F127-I135 HydrophobicContact CE2-CD1 4.27Å; F127-I135 HydrophobicContact CG-CD1 4.13Å; A131-I135 WeakPolarHBondContact O-CD1 3.4Å; A131-I135 VanDerWaalsContact O-CG1 3.25Å; A131-I135 WeakPolarHBondContact O-CG1 3.45Å; A131-I135 PolarHBondContact O-N 3.41Å; W132-I135 HydrophobicContact CE3-CD1 4.34Å; W132-I135 PolarHBondContact O-N 3.31Å; I135-F137 VanDerWaalsContact C-N 3.31Å; I135-F137 PolarHBondContact O-N 2.99Å; I135-F138 PolarHBondContact O-N 3.15Å; I135-I139 HydrophobicContact CG2-CD1 3.79Å; I135-I139 VanDerWaalsContact O-CG1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.31Å; I135-I139 PolarHBondContact O-N 3.44Å; I135-L196 HydrophobicContact CD1-CD2 3.59Å; I135-L196 HydrophobicContact CG1-CD2 4.08Å
136I90.4Very high88.1Confident92 Ų9281.8 Ų81.847%0.47243%0.431SS..Hα-helixtrans-60.7-44178.2-68.2167.1000110.3W132 Y133 F138 I139 M140W132-I136 VanDerWaalsContact O-CG1 3.32Å; W132-I136 WeakPolarHBondContact O-CG1 3.5Å; W132-I136 PolarHBondContact O-N 2.93Å; Y133-I136 PolarHBondContact O-N 2.92Å; I136-F138 PolarHBondContact O-N 2.93Å; I136-I139 PolarHBondContact O-N 3.34Å; I136-M140 HydrophobicContact CG2-CG 4.3Å; I136-M140 WeakPolarHBondContact O-CB 3.24Å; I136-M140 VanDerWaalsContact O-CG 3.31Å; I136-M140 WeakPolarHBondContact O-CG 3.47Å; I136-M140 PolarHBondContact O-N 2.75Å
137F93.4Very high88.2Confident137 Ų13780.9 Ų80.960%0.60143%0.425SS*.Hα-helixtrans-58.7-48.3177.7174.6-98.4000111.6Y133 I134 I135 M140 A141Y133-F137 WeakPolarHBondContact O-CB 3.35Å; Y133-F137 PolarHBondContact O-N 2.91Å; I134-F137 PolarHBondContact O-N 3.12Å; I135-F137 VanDerWaalsContact C-N 3.31Å; I135-F137 PolarHBondContact O-N 2.99Å; F137-M140 PolarHBondContact O-N 2.92Å; F137-A141 VanDerWaalsContact O-CB 3.27Å; F137-A141 WeakPolarHBondContact O-CB 3.34Å; F137-A141 PolarHBondContact O-N 3.29Å
138F89.1Confident88.2Confident108 Ų10884.2 Ų84.247%0.47444%0.444SS..Hα-helixtrans-63.8-42.6177.5-81.4-63.4000112.1I134 I135 I136 M140 A141 F142I134-F138 HydrophobicContact CG2-CD2 3.58Å; I134-F138 HydrophobicContact CG2-CE2 3.47Å; I134-F138 VanDerWaalsContact CG2-CE2 3.47Å; I134-F138 WeakPolarHBondContact O-CD2 3.31Å; I134-F138 PolarHBondContact O-N 2.91Å; I135-F138 PolarHBondContact O-N 3.15Å; I136-F138 PolarHBondContact O-N 2.93Å; F138-M140 VanDerWaalsContact C-N 3.34Å; F138-M140 PolarHBondContact O-N 3.39Å; F138-A141 PolarHBondContact O-N 3.23Å; F138-F142 HydrophobicContact CB-CD2 4.43Å; F138-F142 HydrophobicContact CD1-CE2 4.35Å; F138-F142 WeakPolarHBondContact O-CB 3.48Å; F138-F142 WeakPolarHBondContact O-CD2 3.06Å; F138-F142 PolarHBondContact O-N 3.43Å
139I85.8Confident88Confident108 Ų10886.2 Ų86.255%0.55444%0.441SS*.Hα-helixtrans-58.9-47.3176.6-68.5167.7000110.6I135 I136 F142 F143I135-I139 HydrophobicContact CG2-CD1 3.79Å; I135-I139 VanDerWaalsContact O-CG1 3.3Å; I135-I139 WeakPolarHBondContact O-CG1 3.31Å; I135-I139 PolarHBondContact O-N 3.44Å; I136-I139 PolarHBondContact O-N 3.34Å; I139-F142 PolarHBondContact O-N 2.94Å; I139-F143 WeakPolarHBondContact O-CB 3.49Å; I139-F143 PolarHBondContact O-N 3.41Å
140M89Confident87.6Confident116 Ų11682.4 Ų82.457%0.57142%0.419SS*.Hα-helixtrans-65.4-40.7178.6-71.5-62.5-66.300112.2I136 F137 F138 F143 L144I136-M140 HydrophobicContact CG2-CG 4.3Å; I136-M140 WeakPolarHBondContact O-CB 3.24Å; I136-M140 VanDerWaalsContact O-CG 3.31Å; I136-M140 WeakPolarHBondContact O-CG 3.47Å; I136-M140 PolarHBondContact O-N 2.75Å; F137-M140 PolarHBondContact O-N 2.92Å; F138-M140 VanDerWaalsContact C-N 3.34Å; F138-M140 PolarHBondContact O-N 3.39Å; M140-F143 PolarHBondContact O-N 3.42Å; M140-L144 WeakPolarHBondContact O-CB 3.44Å; M140-L144 PolarHBondContact O-N 2.81Å
141A88.4Confident87.1Confident43 Ų4382.8 Ų82.836%0.35541%0.41SS..Hα-helixtrans-65.3-44.6177.600000111.7F137 F138 L144 A145F137-A141 VanDerWaalsContact O-CB 3.27Å; F137-A141 WeakPolarHBondContact O-CB 3.34Å; F137-A141 PolarHBondContact O-N 3.29Å; F138-A141 PolarHBondContact O-N 3.23Å; A141-L144 PolarHBondContact O-N 2.99Å; A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.35Å
142F82.9Confident86.7Confident150 Ų15085.2 Ų85.266%0.65843%0.43SS*.Hα-helixtrans-64.1-41.8175.1-84.5-66.5000111.8F138 I139 A145 A146F138-F142 HydrophobicContact CB-CD2 4.43Å; F138-F142 HydrophobicContact CD1-CE2 4.35Å; F138-F142 WeakPolarHBondContact O-CB 3.48Å; F138-F142 WeakPolarHBondContact O-CD2 3.06Å; F138-F142 PolarHBondContact O-N 3.43Å; I139-F142 PolarHBondContact O-N 2.94Å; F142-A145 PolarHBondContact O-N 3.11Å; F142-A146 WeakPolarHBondContact O-CB 3.49Å; F142-A146 PolarHBondContact O-N 3.19Å
143F85Confident86.3Confident61 Ų6187.6 Ų87.627%0.26844%0.442SS..Hα-helixtrans-60.1-50.9175.1-179.2-105.6000111.1I139 M140 A145 A146 V147 A163 C166 A167 I170I139-F143 WeakPolarHBondContact O-CB 3.49Å; I139-F143 PolarHBondContact O-N 3.41Å; M140-F143 PolarHBondContact O-N 3.42Å; F143-A145 PolarHBondContact O-N 3.21Å; F143-A146 WeakPolarHBondContact O-CB 2.99Å; F143-A146 PolarHBondContact O-N 3.23Å; F143-A146 VanDerWaalsContact O-N 3.15Å; F143-V147 HydrophobicContact CD1-CG2 4.15Å; F143-V147 HydrophobicContact CE1-CG2 3.81Å; F143-V147 HydrophobicContact CE2-CG2 4.24Å; F143-V147 HydrophobicContact CZ-CG2 3.87Å; F143-V147 VanDerWaalsContact O-CG2 3.28Å; F143-V147 WeakPolarHBondContact O-CG2 3.35Å; F143-V147 PolarHBondContact O-N 2.9Å; F143-A163 HydrophobicContact CZ-CB 4.37Å; F143-C166 HydrophobicContact CE2-CB 4.12Å; F143-A167 HydrophobicContact CE2-CB 4.38Å; F143-I170 HydrophobicContact CD2-CD1 3.57Å; F143-I170 HydrophobicContact CE2-CD1 4.23Å
144L86.7Confident85.6Confident102 Ų10284 Ų8453%0.53443%0.432SS..Hα-helixtrans-62.2-43.2179.9-173.766.3000111.7M140 A141 A146 V147 L148M140-L144 WeakPolarHBondContact O-CB 3.44Å; M140-L144 PolarHBondContact O-N 2.81Å; A141-L144 PolarHBondContact O-N 2.99Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.9Å; L144-V147 PolarHBondContact O-N 2.94Å; L144-L148 HydrophobicContact CD1-CG 4.47Å; L144-L148 HydrophobicContact CG-CD1 4.05Å; L144-L148 HydrophobicContact CG-CG 4.41Å; L144-L148 WeakPolarHBondContact O-CB 3.26Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 3.4Å
145A85.8Confident84.4Confident57 Ų5788.4 Ų88.447%0.47145%0.45SS..Hα-helixtrans-60.1-40.3175.300000111.7A141 F142 F143 Y149A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.35Å; F142-A145 PolarHBondContact O-N 3.11Å; F143-A145 PolarHBondContact O-N 3.21Å; A145-Y149 WeakPolarHBondContact O-CB 3.49Å; A145-Y149 PolarHBondContact O-N 3.17Å
146A81.3Confident83.3Confident40 Ų4097.2 Ų97.233%0.33149%0.487SS..Hα-helixtrans-65.4-43.6175.400000112.2F142 F143 L144 Y149 H150 C166F142-A146 WeakPolarHBondContact O-CB 3.49Å; F142-A146 PolarHBondContact O-N 3.19Å; F143-A146 WeakPolarHBondContact O-CB 2.99Å; F143-A146 PolarHBondContact O-N 3.23Å; F143-A146 VanDerWaalsContact O-N 3.15Å; L144-A146 VanDerWaalsContact C-N 3.29Å; L144-A146 PolarHBondContact O-N 2.9Å; A146-Y149 PolarHBondContact O-N 3.16Å; A146-H150 WeakPolarHBondContact O-CB 3.44Å; A146-H150 PolarHBondContact O-N 3.31Å; A146-C166 VanDerWaalsContact C-SG 3.56Å; A146-C166 PolarHBondContact O-SG 2.85Å
147V84Confident82.3Confident7 Ų793.9 Ų93.94%0.04247%0.472CS..Hα-helixtrans-61.8-48.4176.6178.20000110.9F143 L144 Y149 H150 H151 V159 A162 A163 C166F143-V147 HydrophobicContact CD1-CG2 4.15Å; F143-V147 HydrophobicContact CE1-CG2 3.81Å; F143-V147 HydrophobicContact CE2-CG2 4.24Å; F143-V147 HydrophobicContact CZ-CG2 3.87Å; F143-V147 VanDerWaalsContact O-CG2 3.28Å; F143-V147 WeakPolarHBondContact O-CG2 3.35Å; F143-V147 PolarHBondContact O-N 2.9Å; L144-V147 PolarHBondContact O-N 2.94Å; V147-Y149 VanDerWaalsContact C-N 3.35Å; V147-Y149 PolarHBondContact O-N 2.99Å; V147-H150 PolarHBondContact O-N 3.17Å; V147-H151 WeakPolarHBondContact O-CB 3.38Å; V147-H151 PolarHBondContact O-N 3.45Å; V147-V159 HydrophobicContact CG1-CG1 4.25Å; V147-A162 HydrophobicContact CG1-CB 4.2Å; V147-A163 HydrophobicContact CG1-CB 4.19Å; V147-A163 HydrophobicContact CG2-CB 4.13Å; V147-C166 HydrophobicContact CG2-CB 4.04Å
148L85.5Confident81.7Confident108 Ų10896.4 Ų96.457%0.56548%0.478SS*.Hα-helixtrans-63.5-41.5179.3-70.1173.7000111.4L144 H151 A152L144-L148 HydrophobicContact CD1-CG 4.47Å; L144-L148 HydrophobicContact CG-CD1 4.05Å; L144-L148 HydrophobicContact CG-CG 4.41Å; L144-L148 WeakPolarHBondContact O-CB 3.26Å; L144-L148 VanDerWaalsContact O-CG 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.3Å; L144-L148 PolarHBondContact O-N 3.4Å; L148-H151 PolarHBondContact O-N 2.94Å; L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.7Å
149Y83.4Confident81.3Confident118 Ų11895.4 Ų95.446%0.46348%0.48SS..Hα-helixtrans-61.6-44.8175.1177.3-100000111.9A145 A146 V147 A152 K153 R182A145-Y149 WeakPolarHBondContact O-CB 3.49Å; A145-Y149 PolarHBondContact O-N 3.17Å; A146-Y149 PolarHBondContact O-N 3.16Å; V147-Y149 VanDerWaalsContact C-N 3.35Å; V147-Y149 PolarHBondContact O-N 2.99Å; Y149-A152 PolarHBondContact O-N 3.17Å; Y149-K153 HydrophobicContact CE1-CD 4.35Å; Y149-K153 WeakPolarHBondContact O-CB 3.33Å; Y149-K153 PolarHBondContact O-N 3.1Å; Y149-R182 VanDerWaalsContact CZ-NH1 3.28Å; Y149-R182 PolarHBondContact OH-NH1 2.9Å; Y149-R182 PolarHBondContact OH-NH2 3.27Å
150H80.3Confident81Confident36 Ų3699.1 Ų99.117%0.16749%0.487CS..Hα-helixtrans-64.9-44.3178.6-172.7-80.6000111.7A146 V147 K153 H154 A162A146-H150 WeakPolarHBondContact O-CB 3.44Å; A146-H150 PolarHBondContact O-N 3.31Å; V147-H150 PolarHBondContact O-N 3.17Å; H150-K153 PolarHBondContact O-N 3.5Å; H150-H154 AromaticContact CE1-CD2 3.79Å; H150-H154 AromaticContact NE2-CD2 3.69Å; H150-H154 PolarHBondContact O-N 3.24Å; H150-A162 HydrophobicContact CB-CB 4.33Å
151H81.2Confident80.7Confident68 Ų6897.1 Ų97.132%0.31548%0.479SS..Hα-helixtrans-61.6-43.9176.3-173.7-47.2000111.8V147 L148 K153 H154 V159 A162V147-H151 WeakPolarHBondContact O-CB 3.38Å; V147-H151 PolarHBondContact O-N 3.45Å; L148-H151 PolarHBondContact O-N 2.94Å; H151-K153 VanDerWaalsContact C-N 3.29Å; H151-K153 PolarHBondContact O-N 3.11Å; H151-H154 CarbonylContact O-C 3.6Å; H151-H154 PolarHBondContact O-N 3.28Å; H151-V159 WeakPolarHBondContact CD2-CG2 3.33Å; H151-A162 HydrophobicContact CB-CB 4.36Å
152A83.6Confident80.3Confident77 Ų7795 Ų9564%0.63646%0.462SS*.Hα-helixtrans-65-35.5178.900000111.9L148 Y149L148-A152 VanDerWaalsContact O-CB 3.31Å; L148-A152 WeakPolarHBondContact O-CB 3.49Å; L148-A152 PolarHBondContact O-N 2.7Å; Y149-A152 PolarHBondContact O-N 3.17Å
153K82.4Confident80.4Confident122 Ų12289.2 Ų89.253%0.5344%0.441SS..Hα-helixtrans-74.6-36179.3-173179.2176.8-164.90112.9Y149 H150 H151Y149-K153 HydrophobicContact CE1-CD 4.35Å; Y149-K153 WeakPolarHBondContact O-CB 3.33Å; Y149-K153 PolarHBondContact O-N 3.1Å; H150-K153 PolarHBondContact O-N 3.5Å; H151-K153 VanDerWaalsContact C-N 3.29Å; H151-K153 PolarHBondContact O-N 3.11Å
154H77.9Confident80.3Confident92 Ų9292.3 Ų92.343%0.42646%0.455SS..SBendtrans-110.684-179.5-71.7-81.5000109.7H150 H151 K156 S157H150-H154 AromaticContact CE1-CD2 3.79Å; H150-H154 AromaticContact NE2-CD2 3.69Å; H150-H154 PolarHBondContact O-N 3.24Å; H151-H154 CarbonylContact O-C 3.6Å; H151-H154 PolarHBondContact O-N 3.28Å; H154-K156 PolarHBondContact O-N 3.26Å; H154-S157 PolarHBondContact O-N 3.32Å; H154-S157 PolarHBondContact O-OG 3.47Å; H154-S157 VanDerWaalsContact O-OG 3.1Å
155E66.5Low79.9Confident185 Ų18591.9 Ų91.986%0.86445%0.45SS*.THydrogen-bonded Turntrans-50.1-18.1-176.5-79.7-176.1150.900115.5
156K66.5Low79.6Confident214 Ų21489.7 Ų89.793%0.9343%0.431SS*.THydrogen-bonded Turntrans-104.4-0.8179.4-72-175.5176.8179.50115.2H154H154-K156 PolarHBondContact O-N 3.26Å
157S70.7Confident79.7Confident22 Ų2290 Ų9015%0.15443%0.433CS..  trans-85129.5-179.769.90000111.2H154H154-S157 PolarHBondContact O-N 3.32Å; H154-S157 PolarHBondContact O-OG 3.47Å; H154-S157 VanDerWaalsContact O-OG 3.1Å
158R79.9Confident79.4Confident191 Ų19194.2 Ų94.272%0.72145%0.452SS*.  trans-65.7146169.5-69.7178.4174.9175.2-1.2108.6R160 D161 A162R158-R160 PolarHBondContact O-N 3.23Å; R158-D161 PolarHBondContact O-N 2.87Å; R158-A162 PolarHBondContact O-N 2.9Å
159V80.2Confident78.9Confident87 Ų8792.7 Ų92.753%0.52744%0.442SS..Hα-helixtrans-48.1-38.9177.1-177.90000112.1V147 H151 D161 A162 A163V147-V159 HydrophobicContact CG1-CG1 4.25Å; H151-V159 WeakPolarHBondContact CD2-CG2 3.33Å; V159-D161 PolarHBondContact O-N 3.35Å; V159-A162 PolarHBondContact O-N 3.28Å; V159-A163 WeakPolarHBondContact O-CB 3.48Å; V159-A163 PolarHBondContact O-N 3.04Å
160R81Confident78.6Confident185 Ų18590.3 Ų90.370%0.69844%0.437SS*.Hα-helixtrans-61.3-44.2177.5-168.2-173.975.9170.56112.5R158 A162 A163 F164R158-R160 PolarHBondContact O-N 3.23Å; R160-A162 VanDerWaalsContact C-N 3.35Å; R160-A163 PolarHBondContact O-N 3.43Å; R160-F164 PolarHBondContact O-N 3.03Å
161D81.2Confident78.3Confident74 Ų7494.1 Ų94.140%0.39646%0.455SS..Hα-helixtrans-71.6-36.3-177.9-55-27.2000110R158 V159 F164 H165R158-D161 PolarHBondContact O-N 2.87Å; V159-D161 PolarHBondContact O-N 3.35Å; D161-F164 PolarHBondContact O-N 3.31Å; D161-H165 WeakPolarHBondContact O-CB 3.37Å; D161-H165 PolarHBondContact O-N 3.21Å
162A80.9Confident77.8Confident0 Ų092.2 Ų92.20%045%0.449CS..Hα-helixtrans-62.6-43.5170.800000112.1V147 H150 H151 R158 V159 R160 H165 C166V147-A162 HydrophobicContact CG1-CB 4.2Å; H150-A162 HydrophobicContact CB-CB 4.33Å; H151-A162 HydrophobicContact CB-CB 4.36Å; R158-A162 PolarHBondContact O-N 2.9Å; V159-A162 PolarHBondContact O-N 3.28Å; R160-A162 VanDerWaalsContact C-N 3.35Å; A162-H165 PolarHBondContact O-N 2.97Å; A162-C166 WeakPolarHBondContact O-CB 3.5Å; A162-C166 PolarHBondContact O-N 2.85Å; A162-C166 PolarHBondContact O-SG 2.68Å; A162-C166 VanDerWaalsContact O-SG 3.32Å
163A84Confident77.1Confident27 Ų2790.3 Ų90.322%0.22343%0.428CS..Hα-helixtrans-64.5-41.8177.200000112.3F143 V147 V159 R160 C166 A167F143-A163 HydrophobicContact CZ-CB 4.37Å; V147-A163 HydrophobicContact CG1-CB 4.19Å; V147-A163 HydrophobicContact CG2-CB 4.13Å; V159-A163 WeakPolarHBondContact O-CB 3.48Å; V159-A163 PolarHBondContact O-N 3.04Å; R160-A163 PolarHBondContact O-N 3.43Å; A163-C166 PolarHBondContact O-N 2.87Å; A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.05Å
164F82.5Confident76.5Confident127 Ų12787.8 Ų87.856%0.55743%0.425SS*.Hα-helixtrans-64.3-43.9176.3-160.6-94.8000111.3R160 D161 C166 A167 Q168R160-F164 PolarHBondContact O-N 3.03Å; D161-F164 PolarHBondContact O-N 3.31Å; F164-C166 PolarHBondContact O-N 3.35Å; F164-A167 PolarHBondContact O-N 2.97Å; F164-Q168 HydrophobicContact CD1-CG 4.22Å; F164-Q168 HydrophobicContact CE1-CG 4.15Å; F164-Q168 WeakPolarHBondContact O-CG 3.42Å; F164-Q168 PolarHBondContact O-N 2.88Å
165H79.7Confident76.1Confident92 Ų9290.1 Ų90.143%0.42643%0.434SS..Hα-helixtrans-65.1-38.6177-160.9-52.8000111.9D161 A162 H169D161-H165 WeakPolarHBondContact O-CB 3.37Å; D161-H165 PolarHBondContact O-N 3.21Å; A162-H165 PolarHBondContact O-N 2.97Å; H165-H169 WeakPolarHBondContact O-CB 3.12Å; H165-H169 PolarHBondContact O-N 3.26Å
166C79.6Confident75.9Confident12 Ų1288.9 Ų88.98%0.08143%0.428CS..Hα-helixtrans-67-38.8173.6-74.60000112.3F143 A146 V147 A162 A163 F164 H169 I170F143-C166 HydrophobicContact CE2-CB 4.12Å; A146-C166 VanDerWaalsContact C-SG 3.56Å; A146-C166 PolarHBondContact O-SG 2.85Å; V147-C166 HydrophobicContact CG2-CB 4.04Å; A162-C166 WeakPolarHBondContact O-CB 3.5Å; A162-C166 PolarHBondContact O-N 2.85Å; A162-C166 PolarHBondContact O-SG 2.68Å; A162-C166 VanDerWaalsContact O-SG 3.32Å; A163-C166 PolarHBondContact O-N 2.87Å; F164-C166 PolarHBondContact O-N 3.35Å; C166-H169 PolarHBondContact O-N 3.06Å; C166-H169 VanDerWaalsContact O-N 3.16Å; C166-I170 WeakPolarHBondContact O-CG1 3.21Å; C166-I170 PolarHBondContact O-N 3.29Å
167A82.2Confident75.4Confident45 Ų4587.5 Ų87.537%0.37242%0.418SS..Hα-helixtrans-61.8-47.117500000111.2F143 A163 F164 H169 I170 E171F143-A167 HydrophobicContact CE2-CB 4.38Å; A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.05Å; F164-A167 PolarHBondContact O-N 2.97Å; A167-H169 PolarHBondContact O-N 3.42Å; A167-I170 PolarHBondContact O-N 3.15Å; A167-E171 WeakPolarHBondContact O-CB 3.39Å; A167-E171 PolarHBondContact O-N 3.08Å
168Q78.3Confident74.8Confident96 Ų9693.1 Ų93.145%0.44945%0.447SS..Hα-helixtrans-61.4-33.8172.7-70.9-177.5-39.200112.4F164 E171 S172F164-Q168 HydrophobicContact CD1-CG 4.22Å; F164-Q168 HydrophobicContact CE1-CG 4.15Å; F164-Q168 WeakPolarHBondContact O-CG 3.42Å; F164-Q168 PolarHBondContact O-N 2.88Å; Q168-E171 PolarHBondContact O-N 2.97Å; Q168-S172 WeakPolarHBondContact O-CB 3.3Å; Q168-S172 PolarHBondContact O-N 2.99Å; Q168-S172 PolarHBondContact O-OG 3.37Å; Q168-S172 VanDerWaalsContact O-OG 3.04Å
169H75.1Confident73.7Confident77 Ų7790.3 Ų90.336%0.35645%0.446SS..Hα-helixtrans-70.5-37.8177.2-149.6-48.3000111.8H165 C166 A167 S172 I173H165-H169 WeakPolarHBondContact O-CB 3.12Å; H165-H169 PolarHBondContact O-N 3.26Å; C166-H169 PolarHBondContact O-N 3.06Å; C166-H169 VanDerWaalsContact O-N 3.16Å; A167-H169 PolarHBondContact O-N 3.42Å; H169-S172 WeakPolarHBondContact CA-OG 3.46Å; H169-S172 PolarHBondContact O-OG 2.83Å; H169-I173 WeakPolarHBondContact O-CB 3.42Å; H169-I173 WeakPolarHBondContact O-CD1 3.5Å; H169-I173 WeakPolarHBondContact O-CG1 3.47Å; H169-I173 PolarHBondContact O-N 2.97Å
170I76.2Confident72.6Confident67 Ų6793.5 Ų93.534%0.34446%0.459SS..Hα-helixtrans-67.2-43172.3-70173.6000110.4F143 C166 A167 S172 I173 C174F143-I170 HydrophobicContact CD2-CD1 3.57Å; F143-I170 HydrophobicContact CE2-CD1 4.23Å; C166-I170 WeakPolarHBondContact O-CG1 3.21Å; C166-I170 PolarHBondContact O-N 3.29Å; A167-I170 PolarHBondContact O-N 3.15Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 2.01Å; I170-I173 WeakPolarHBondContact O-CB 3.41Å; I170-I173 PolarHBondContact O-N 2.99Å; I170-C174 WeakPolarHBondContact O-CB 3.31Å; I170-C174 PolarHBondContact O-N 2.98Å; I170-C174 PolarHBondContact O-SG 3.07Å
171E74.3Confident71.6Confident116 Ų11685.5 Ų85.554%0.54243%0.431SS..Hα-helixtrans-59-46.6175.9-168.9178.4-173.900111A167 Q168 I173 C174 F175A167-E171 WeakPolarHBondContact O-CB 3.39Å; A167-E171 PolarHBondContact O-N 3.08Å; Q168-E171 PolarHBondContact O-N 2.97Å; E171-I173 VanDerWaalsContact C-N 3.34Å; E171-I173 PolarHBondContact O-N 3.02Å; E171-C174 PolarHBondContact O-N 3.45Å; E171-F175 HydrophobicContact CG-CD2 3.69Å; E171-F175 HydrophobicContact CG-CE2 4.07Å; E171-F175 WeakPolarHBondContact O-CB 3.48Å; E171-F175 VanDerWaalsContact O-CD2 3.27Å; E171-F175 WeakPolarHBondContact O-CD2 2.91Å; E171-F175 PolarHBondContact O-N 3.34Å
172S70.7Confident71Confident29 Ų2988.4 Ų88.420%0.20344%0.436CS..Hα-helixtrans-67.8-30.1176.862.20000113.4Q168 H169 I170 Q176 Y177Q168-S172 WeakPolarHBondContact O-CB 3.3Å; Q168-S172 PolarHBondContact O-N 2.99Å; Q168-S172 PolarHBondContact O-OG 3.37Å; Q168-S172 VanDerWaalsContact O-OG 3.04Å; H169-S172 WeakPolarHBondContact CA-OG 3.46Å; H169-S172 PolarHBondContact O-OG 2.83Å; I170-S172 VanDerWaalsContact C-N 3.34Å; I170-S172 PolarHBondContact O-N 2.01Å; S172-Q176 WeakPolarHBondContact O-CA 3.35Å; S172-Q176 PolarHBondContact O-N 3.23Å; S172-Y177 PolarHBondContact O-N 3.2Å
173I69.9Low70.8Confident37 Ų3795.5 Ų95.519%0.1947%0.467CS..Hα-helixtrans-66.1-46.6170.4-72.1163.4000110.8H169 I170 E171 P181 F189H169-I173 WeakPolarHBondContact O-CB 3.42Å; H169-I173 WeakPolarHBondContact O-CD1 3.5Å; H169-I173 WeakPolarHBondContact O-CG1 3.47Å; H169-I173 PolarHBondContact O-N 2.97Å; I170-I173 WeakPolarHBondContact O-CB 3.41Å; I170-I173 PolarHBondContact O-N 2.99Å; E171-I173 VanDerWaalsContact C-N 3.34Å; E171-I173 PolarHBondContact O-N 3.02Å; I173-P181 HydrophobicContact CD1-CB 4.27Å; I173-P181 HydrophobicContact CD1-CG 4.01Å; I173-P181 HydrophobicContact CG1-CB 4.19Å; I173-P181 HydrophobicContact CG1-CG 3.41Å; I173-P181 VanDerWaalsContact CG1-CG 3.41Å; I173-F189 HydrophobicContact CG2-CD1 3.44Å; I173-F189 VanDerWaalsContact CG2-CD1 3.44Å; I173-F189 HydrophobicContact CG2-CE1 3.45Å; I173-F189 VanDerWaalsContact CG2-CE1 3.45Å; I173-F189 HydrophobicContact CG2-CG 4.31Å; I173-F189 HydrophobicContact CG2-CZ 4.32Å
174C69.5Low70.3Confident69 Ų69101 Ų10147%0.46649%0.487SS..Hα-helixtrans-68.5-38.5-178.1-72.10000112.4I170 E171I170-C174 WeakPolarHBondContact O-CB 3.31Å; I170-C174 PolarHBondContact O-N 2.98Å; I170-C174 PolarHBondContact O-SG 3.07Å; E171-C174 PolarHBondContact O-N 3.45Å
175F68.4Low69.8Low140 Ų140101 Ų10161%0.61449%0.488SS*.Hα-helixtrans-109.16.6-173.6-61.9-72.1000114.4E171 Y177E171-F175 HydrophobicContact CG-CD2 3.69Å; E171-F175 HydrophobicContact CG-CE2 4.07Å; E171-F175 WeakPolarHBondContact O-CB 3.48Å; E171-F175 VanDerWaalsContact O-CD2 3.27Å; E171-F175 WeakPolarHBondContact O-CD2 2.91Å; E171-F175 PolarHBondContact O-N 3.34Å; F175-Y177 VanDerWaalsContact C-N 3.29Å; F175-Y177 HydrophobicContact CB-CD2 3.85Å; F175-Y177 HydrophobicContact CB-CE2 4.43Å; F175-Y177 WeakPolarHBondContact O-CD2 3.42Å; F175-Y177 PolarHBondContact O-N 2.79Å
176Q63.7Low69.5Low160 Ų160100 Ų10075%0.74848%0.48SS*.THydrogen-bonded Turntrans53.834.2176-63.7-174.8-20.100115.4S172 N178S172-Q176 WeakPolarHBondContact O-CA 3.35Å; S172-Q176 PolarHBondContact O-N 3.23Å; Q176-N178 PolarHBondContact O-N 3.11Å
177Y56.2Low69.6Low184 Ų184102.7 Ų102.772%0.72249%0.494SS*.  trans-80.7-15.7-163.8-112-80.4000117.1S172 F175S172-Y177 PolarHBondContact O-N 3.2Å; F175-Y177 VanDerWaalsContact C-N 3.29Å; F175-Y177 HydrophobicContact CB-CD2 3.85Å; F175-Y177 HydrophobicContact CB-CE2 4.43Å; F175-Y177 WeakPolarHBondContact O-CD2 3.42Å; F175-Y177 PolarHBondContact O-N 2.79Å
178N56.6Low69.5Low141 Ų141103.1 Ų103.175%0.75449%0.493SS*.SBendtrans-163.5-30.2177.6-102.2-30.3000119.4Q176Q176-N178 PolarHBondContact O-N 3.11Å
179N56.5Low69.5Low131 Ų131102.3 Ų102.370%0.70149%0.488SS*.  trans-143.2134.2-175.3-78.4-47.7000112.9P181N179-P181 WeakPolarHBondContact O-CD 3.47Å
180I57.3Low69.8Low155 Ų155102.1 Ų102.180%0.79549%0.49SS*.  trans-64.9116.3174.3-59.9162.2000107.5
181P61.4Low70.3Confident17 Ų17102.4 Ų102.411%0.1150%0.495CS..  trans-68.9168.1177.9-4.719.3000110.1I173 N179 F183 W186I173-P181 HydrophobicContact CD1-CB 4.27Å; I173-P181 HydrophobicContact CD1-CG 4.01Å; I173-P181 HydrophobicContact CG1-CB 4.19Å; I173-P181 HydrophobicContact CG1-CG 3.41Å; I173-P181 VanDerWaalsContact CG1-CG 3.41Å; N179-P181 WeakPolarHBondContact O-CD 3.47Å; P181-F183 PolarHBondContact O-N 3.07Å; P181-W186 HydrophobicContact CB-CB 4.17Å; P181-W186 HydrophobicContact CG-CB 4.03Å; P181-W186 HydrophobicContact CG-CG 4.09Å
182R68.2Low70.9Confident135 Ų135100.7 Ų100.751%0.50949%0.492SS..  trans-45.9117.4173.9-69.9-179173.6170.6-4.9110.6Y149 F184 H185 W186Y149-R182 VanDerWaalsContact CZ-NH1 3.28Å; Y149-R182 PolarHBondContact OH-NH1 2.9Å; Y149-R182 PolarHBondContact OH-NH2 3.27Å; R182-F184 PolarHBondContact O-N 3.12Å; R182-H185 PolarHBondContact O-N 2.94Å; R182-W186 PolarHBondContact O-N 2.78Å; R182-W186 VanDerWaalsContact O-N 3.08Å
183F75.5Confident71.6Confident148 Ų148102.4 Ų102.465%0.64950%0.501SS*.Hα-helixtrans-44.3-46.5-167.1179.6-100.6000113.6P181 W186 L187P181-F183 PolarHBondContact O-N 3.07Å; F183-W186 PolarHBondContact O-N 2.96Å; F183-L187 HydrophobicContact CE1-CD2 4.2Å; F183-L187 HydrophobicContact CZ-CD2 4.48Å; F183-L187 VanDerWaalsContact O-CB 3.28Å; F183-L187 WeakPolarHBondContact O-CB 3.46Å; F183-L187 PolarHBondContact O-N 2.85Å
184F75.1Confident72.4Confident144 Ų144105.3 Ų105.363%0.63252%0.517SS*.Hα-helixtrans-67.1-42.8-177.6-165.7-95.4000113.8R182 W186 L187 C188R182-F184 PolarHBondContact O-N 3.12Å; F184-W186 VanDerWaalsContact C-N 3.34Å; F184-L187 PolarHBondContact O-N 3.23Å; F184-C188 PolarHBondContact O-N 2.79Å; F184-C188 PolarHBondContact O-SG 3.12Å
185H70.4Confident73.5Confident127 Ų127105 Ų10559%0.58852%0.519SS*.Hα-helixtrans-68.1-40.1178.6-7170.8000110.6R182 F189R182-H185 PolarHBondContact O-N 2.94Å; H185-F189 VanDerWaalsContact O-CB 3.28Å; H185-F189 WeakPolarHBondContact O-CB 3.44Å; H185-F189 PolarHBondContact O-N 2.85Å
186W74.1Confident74.5Confident70 Ų70101 Ų10127%0.26550%0.504SS..Hα-helixtrans-64.1-43.3175.2-177.876000111.7P181 R182 F183 F184 F189 L190P181-W186 HydrophobicContact CB-CB 4.17Å; P181-W186 HydrophobicContact CG-CB 4.03Å; P181-W186 HydrophobicContact CG-CG 4.09Å; R182-W186 PolarHBondContact O-N 2.78Å; R182-W186 VanDerWaalsContact O-N 3.08Å; F183-W186 PolarHBondContact O-N 2.96Å; F184-W186 VanDerWaalsContact C-N 3.34Å; W186-F189 PolarHBondContact O-N 3.26Å; W186-L190 HydrophobicContact CH2-CD2 3.6Å; W186-L190 HydrophobicContact CZ2-CD1 4.44Å; W186-L190 HydrophobicContact CZ2-CD2 3.86Å; W186-L190 HydrophobicContact CZ3-CD2 3.95Å; W186-L190 WeakPolarHBondContact O-CB 2.95Å; W186-L190 PolarHBondContact O-N 3.27Å
187L81.2Confident75.7Confident68 Ų6899.8 Ų99.836%0.35650%0.496SS..Hα-helixtrans-62.3-48.6178-17664.7000111.5F183 F184 F189 L190 T191F183-L187 HydrophobicContact CE1-CD2 4.2Å; F183-L187 HydrophobicContact CZ-CD2 4.48Å; F183-L187 VanDerWaalsContact O-CB 3.28Å; F183-L187 WeakPolarHBondContact O-CB 3.46Å; F183-L187 PolarHBondContact O-N 2.85Å; F184-L187 PolarHBondContact O-N 3.23Å; L187-F189 PolarHBondContact O-N 3.25Å; L187-L190 PolarHBondContact O-N 2.8Å; L187-T191 HydrophobicContact CD1-CG2 4.29Å; L187-T191 VanDerWaalsContact O-CG2 3.29Å; L187-T191 WeakPolarHBondContact O-CG2 3.21Å; L187-T191 PolarHBondContact O-N 2.92Å; L187-T191 PolarHBondContact O-OG1 2.82Å
188C81.4Confident77.4Confident54 Ų5495.7 Ų95.737%0.36549%0.485SS..Hα-helixtrans-62.5-41.4177.2-71.50000112.6F184 T191 T192F184-C188 PolarHBondContact O-N 2.79Å; F184-C188 PolarHBondContact O-SG 3.12Å; C188-T191 PolarHBondContact O-OG1 2.88Å; C188-T192 WeakPolarHBondContact O-CB 3.46Å; C188-T192 PolarHBondContact O-N 2.84Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 2.95Å
189F78.6Confident78.9Confident79 Ų7991.1 Ų91.135%0.34647%0.466SS..Hα-helixtrans-64.7-47.6176.4178.7-97.8000111.1I173 H185 W186 L187 T191 T192 V193I173-F189 HydrophobicContact CG2-CD1 3.44Å; I173-F189 VanDerWaalsContact CG2-CD1 3.44Å; I173-F189 HydrophobicContact CG2-CE1 3.45Å; I173-F189 VanDerWaalsContact CG2-CE1 3.45Å; I173-F189 HydrophobicContact CG2-CG 4.31Å; I173-F189 HydrophobicContact CG2-CZ 4.32Å; H185-F189 VanDerWaalsContact O-CB 3.28Å; H185-F189 WeakPolarHBondContact O-CB 3.44Å; H185-F189 PolarHBondContact O-N 2.85Å; W186-F189 PolarHBondContact O-N 3.26Å; L187-F189 PolarHBondContact O-N 3.25Å; F189-T191 PolarHBondContact O-N 3.14Å; F189-T192 PolarHBondContact O-N 3.08Å; F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CD2-CG2 4.25Å; F189-V193 HydrophobicContact CE1-CG2 3.74Å; F189-V193 HydrophobicContact CE2-CG2 3.85Å; F189-V193 HydrophobicContact CG-CG2 4.4Å; F189-V193 HydrophobicContact CZ-CG2 3.59Å; F189-V193 WeakPolarHBondContact O-CB 3.33Å; F189-V193 WeakPolarHBondContact O-CG2 3.28Å; F189-V193 PolarHBondContact O-N 3.24Å
190L81.3Confident80.5Confident73 Ų7387.6 Ų87.638%0.38244%0.444SS..Hα-helixtrans-61.7-45.8-179.7-174.575000111.6W186 L187 T192 V193 L194W186-L190 HydrophobicContact CH2-CD2 3.6Å; W186-L190 HydrophobicContact CZ2-CD1 4.44Å; W186-L190 HydrophobicContact CZ2-CD2 3.86Å; W186-L190 HydrophobicContact CZ3-CD2 3.95Å; W186-L190 WeakPolarHBondContact O-CB 2.95Å; W186-L190 PolarHBondContact O-N 3.27Å; L187-L190 PolarHBondContact O-N 2.8Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.49Å; L190-V193 PolarHBondContact O-N 2.84Å; L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 PolarHBondContact O-N 3.38Å
191T86.7Confident82.1Confident73 Ų7382.2 Ų82.245%0.44842%0.418SS..Hα-helixtrans-63.4-41.3178.253.90000111.4L187 C188 F189 L194 A195L187-T191 HydrophobicContact CD1-CG2 4.29Å; L187-T191 VanDerWaalsContact O-CG2 3.29Å; L187-T191 WeakPolarHBondContact O-CG2 3.21Å; L187-T191 PolarHBondContact O-N 2.92Å; L187-T191 PolarHBondContact O-OG1 2.82Å; C188-T191 PolarHBondContact O-OG1 2.88Å; F189-T191 PolarHBondContact O-N 3.14Å; T191-L194 PolarHBondContact O-N 2.98Å; T191-A195 WeakPolarHBondContact O-CB 3.27Å; T191-A195 PolarHBondContact O-N 3.36Å
192T86Confident83.4Confident81 Ų8185.4 Ų85.450%0.49743%0.434SS..Hα-helixtrans-65.1-48.4178.2-55.90000111.4C188 F189 L190 L194 A195 L196C188-T192 WeakPolarHBondContact O-CB 3.46Å; C188-T192 PolarHBondContact O-N 2.84Å; C188-T192 VanDerWaalsContact O-N 3.1Å; C188-T192 PolarHBondContact O-OG1 2.95Å; F189-T192 PolarHBondContact O-N 3.08Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.49Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 2.84Å; T192-A195 PolarHBondContact O-N 3.08Å; T192-L196 HydrophobicContact CG2-CD1 3.88Å; T192-L196 WeakPolarHBondContact O-CB 3.23Å; T192-L196 WeakPolarHBondContact O-CD1 3.43Å; T192-L196 PolarHBondContact O-N 2.94Å
193V85.1Confident84.2Confident64 Ų6481.2 Ų81.239%0.38842%0.419SS..Hα-helixtrans-63.7-39.9177.3171.80000111.2F189 L190 L196 K197F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CD2-CG2 4.25Å; F189-V193 HydrophobicContact CE1-CG2 3.74Å; F189-V193 HydrophobicContact CE2-CG2 3.85Å; F189-V193 HydrophobicContact CG-CG2 4.4Å; F189-V193 HydrophobicContact CZ-CG2 3.59Å; F189-V193 WeakPolarHBondContact O-CB 3.33Å; F189-V193 WeakPolarHBondContact O-CG2 3.28Å; F189-V193 PolarHBondContact O-N 3.24Å; L190-V193 PolarHBondContact O-N 2.84Å; V193-L196 PolarHBondContact O-N 3.3Å; V193-K197 WeakPolarHBondContact O-CB 3.31Å; V193-K197 PolarHBondContact O-N 3.14Å
194L88Confident84.5Confident99 Ų9976.4 Ų76.452%0.51840%0.399SS..Hα-helixtrans-64.4-43.3176.4-174.865000111.3L190 T191 T192 K197 M198L190-L194 WeakPolarHBondContact O-CB 3.28Å; L190-L194 PolarHBondContact O-N 3.38Å; T191-L194 PolarHBondContact O-N 2.98Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 2.84Å; L194-K197 PolarHBondContact O-N 2.78Å; L194-M198 WeakPolarHBondContact O-CB 3.4Å; L194-M198 VanDerWaalsContact O-CG 3.26Å; L194-M198 WeakPolarHBondContact O-CG 3.41Å; L194-M198 PolarHBondContact O-N 3.35Å
195A90.9Very high84.9Confident62 Ų6276.6 Ų76.651%0.51240%0.396SS..Hα-helixtrans-62.6-47.3176.600000111.7T191 T192 K197 M198 A199T191-A195 WeakPolarHBondContact O-CB 3.27Å; T191-A195 PolarHBondContact O-N 3.36Å; T192-A195 PolarHBondContact O-N 3.08Å; A195-K197 PolarHBondContact O-N 3.16Å; A195-M198 PolarHBondContact O-N 3.14Å; A195-A199 WeakPolarHBondContact O-CB 3.48Å; A195-A199 PolarHBondContact O-N 3.16Å
196L89.4Confident85.3Confident56 Ų5673.8 Ų73.829%0.29339%0.391SS..Hα-helixtrans-59.1-45.2174.7-83.2152.9000111.5F127 I135 T192 V193 A199 Y200F127-L196 HydrophobicContact CE1-CD2 4.5Å; F127-L196 HydrophobicContact CE2-CD2 4.12Å; F127-L196 HydrophobicContact CZ-CD2 3.84Å; I135-L196 HydrophobicContact CD1-CD2 3.59Å; I135-L196 HydrophobicContact CG1-CD2 4.08Å; T192-L196 HydrophobicContact CG2-CD1 3.88Å; T192-L196 WeakPolarHBondContact O-CB 3.23Å; T192-L196 WeakPolarHBondContact O-CD1 3.43Å; T192-L196 PolarHBondContact O-N 2.94Å; V193-L196 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.49Å; L196-Y200 VanDerWaalsContact O-CB 3.31Å; L196-Y200 WeakPolarHBondContact O-CB 3.4Å; L196-Y200 PolarHBondContact O-N 2.69Å
197K89.1Confident85.4Confident134 Ų13470.7 Ų70.758%0.58338%0.38SS*.Hα-helixtrans-60.9-45.9176.6-179.8-179.9177179.80111.3V193 L194 A195 Y200 V201V193-K197 WeakPolarHBondContact O-CB 3.31Å; V193-K197 PolarHBondContact O-N 3.14Å; L194-K197 PolarHBondContact O-N 2.78Å; A195-K197 PolarHBondContact O-N 3.16Å; K197-Y200 PolarHBondContact O-N 3.34Å; K197-V201 HydrophobicContact CG-CG2 4.2Å; K197-V201 WeakPolarHBondContact O-CB 3.3Å; K197-V201 VanDerWaalsContact O-CG2 3.22Å; K197-V201 WeakPolarHBondContact O-CG2 3.38Å; K197-V201 PolarHBondContact O-N 3.49Å
198M91.9Very high85.1Confident98 Ų9869.6 Ų69.648%0.48337%0.374SS..Hα-helixtrans-63.8-43.6179.1-73.1-62.2-70.100111.7L194 A195 Y200 V201 N202L194-M198 WeakPolarHBondContact O-CB 3.4Å; L194-M198 VanDerWaalsContact O-CG 3.26Å; L194-M198 WeakPolarHBondContact O-CG 3.41Å; L194-M198 PolarHBondContact O-N 3.35Å; A195-M198 PolarHBondContact O-N 3.14Å; M198-Y200 PolarHBondContact O-N 3.43Å; M198-V201 PolarHBondContact O-N 2.66Å; M198-N202 WeakPolarHBondContact O-CB 3.47Å; M198-N202 VanDerWaalsContact O-CG 3.28Å; M198-N202 PolarHBondContact O-N 3.25Å; M198-N202 PolarHBondContact O-ND2 3.44Å
199A89.4Confident84.7Confident45 Ų4573.2 Ų73.237%0.37239%0.387SS..Hα-helixtrans-60.1-46.2174.900000111.5F127 A195 L196 N202 Y203F127-A199 HydrophobicContact CE1-CB 4.11Å; F127-A199 HydrophobicContact CZ-CB 4.09Å; A195-A199 WeakPolarHBondContact O-CB 3.48Å; A195-A199 PolarHBondContact O-N 3.16Å; L196-A199 PolarHBondContact O-N 3.49Å; A199-N202 PolarHBondContact O-N 3.05Å; A199-Y203 PolarHBondContact O-N 3.17Å
200Y90Very high84.1Confident57 Ų5773.4 Ų73.422%0.22439%0.389CS..Hα-helixtrans-65.2-44.6179.1-162.1-84.1000112.1F121 A123 P126 F127 W132 L196 K197 M198 N202 Y203 I204F121-Y200 HydrophobicContact CZ-CE1 4.27Å; A123-Y200 VanDerWaalsContact CA-OH 3.25Å; A123-Y200 WeakPolarHBondContact CA-OH 3.28Å; A123-Y200 WeakPolarHBondContact CB-OH 3.15Å; A123-Y200 WeakPolarHBondContact O-CE2 3.44Å; A123-Y200 PolarHBondContact O-OH 3.05Å; P126-Y200 HydrophobicContact CB-CD2 3.95Å; P126-Y200 HydrophobicContact CB-CE2 4.22Å; P126-Y200 HydrophobicContact CG-CD2 3.32Å; P126-Y200 HydrophobicContact CG-CE2 3.11Å; P126-Y200 HydrophobicContact CG-CG 4.2Å; F127-Y200 AromaticContact CE2-CD2 3.99Å; F127-Y200 HydrophobicContact CE2-CD2 3.99Å; W132-Y200 HydrophobicContact CH2-CE2 4.43Å; W132-Y200 HydrophobicContact CZ2-CE2 4.41Å; L196-Y200 VanDerWaalsContact O-CB 3.31Å; L196-Y200 WeakPolarHBondContact O-CB 3.4Å; L196-Y200 PolarHBondContact O-N 2.69Å; K197-Y200 PolarHBondContact O-N 3.34Å; M198-Y200 PolarHBondContact O-N 3.43Å; Y200-N202 PolarHBondContact O-N 3.18Å; Y200-Y203 WeakPolarHBondContact O-CB 3.49Å; Y200-Y203 PolarHBondContact O-N 2.86Å; Y200-I204 HydrophobicContact CD1-CD1 3.62Å; Y200-I204 HydrophobicContact CD1-CG1 3.87Å; Y200-I204 HydrophobicContact CE1-CD1 3.6Å; Y200-I204 HydrophobicContact CE1-CG1 3.8Å; Y200-I204 WeakPolarHBondContact O-CG1 3.45Å; Y200-I204 PolarHBondContact O-N 3.41Å
201V90.1Very high83.6Confident43 Ų4372 Ų7226%0.26138%0.384SS..Hα-helixtrans-64.4-39.4178.11690000111.4K197 M198 Y203 I204 R205K197-V201 HydrophobicContact CG-CG2 4.2Å; K197-V201 WeakPolarHBondContact O-CB 3.3Å; K197-V201 VanDerWaalsContact O-CG2 3.22Å; K197-V201 WeakPolarHBondContact O-CG2 3.38Å; K197-V201 PolarHBondContact O-N 3.49Å; M198-V201 PolarHBondContact O-N 2.66Å; V201-Y203 VanDerWaalsContact C-N 3.31Å; V201-Y203 PolarHBondContact O-N 3.14Å; V201-I204 PolarHBondContact O-N 2.98Å; V201-R205 WeakPolarHBondContact O-CB 3.48Å; V201-R205 WeakPolarHBondContact O-CG 3.45Å; V201-R205 PolarHBondContact O-N 2.57Å
202N88.3Confident82.7Confident83 Ų8372.2 Ų72.244%0.44438%0.377SS..Hα-helixtrans-64.2-38.6175.1-75.8-19.8000111.7M198 A199 Y200 R205 S206M198-N202 WeakPolarHBondContact O-CB 3.47Å; M198-N202 VanDerWaalsContact O-CG 3.28Å; M198-N202 PolarHBondContact O-N 3.25Å; M198-N202 PolarHBondContact O-ND2 3.44Å; A199-N202 PolarHBondContact O-N 3.05Å; Y200-N202 PolarHBondContact O-N 3.18Å; N202-R205 PolarHBondContact O-N 2.67Å; N202-S206 PolarHBondContact O-N 3.49Å; N202-S206 PolarHBondContact O-OG 3.44Å
203Y85.8Confident82.3Confident47 Ų4772.1 Ų72.118%0.18438%0.378CS..Hα-helixtrans-64.1-45.4171.4169.8-97.1000112.4F121 V125 P126 A199 Y200 V201 R205 S206 A207F121-Y203 HydrophobicContact CD2-CE1 4.22Å; F121-Y203 AromaticContact CE2-CD1 3.95Å; F121-Y203 HydrophobicContact CE2-CD1 3.95Å; F121-Y203 AromaticContact CE2-CE1 3.47Å; F121-Y203 HydrophobicContact CE2-CE1 3.47Å; F121-Y203 VanDerWaalsContact CE2-CE1 3.47Å; F121-Y203 HydrophobicContact CZ-CE1 4.2Å; V125-Y203 HydrophobicContact CB-CE1 4.42Å; V125-Y203 HydrophobicContact CB-CE2 4.36Å; V125-Y203 WeakPolarHBondContact CB-OH 3.14Å; V125-Y203 HydrophobicContact CG1-CE2 3.75Å; V125-Y203 WeakPolarHBondContact CG1-OH 3.5Å; P126-Y203 HydrophobicContact CB-CD1 3.44Å; P126-Y203 VanDerWaalsContact CB-CD1 3.44Å; P126-Y203 HydrophobicContact CB-CD2 4.14Å; P126-Y203 HydrophobicContact CB-CE1 4.11Å; P126-Y203 HydrophobicContact CB-CG 3.47Å; P126-Y203 VanDerWaalsContact CB-CG 3.47Å; P126-Y203 VanDerWaalsContact CD-CE1 3.48Å; P126-Y203 HydrophobicContact CG-CD1 3.45Å; P126-Y203 VanDerWaalsContact CG-CD1 3.45Å; P126-Y203 HydrophobicContact CG-CE1 3.82Å; P126-Y203 HydrophobicContact CG-CG 4.05Å; A199-Y203 PolarHBondContact O-N 3.17Å; Y200-Y203 WeakPolarHBondContact O-CB 3.49Å; Y200-Y203 PolarHBondContact O-N 2.86Å; V201-Y203 VanDerWaalsContact C-N 3.31Å; V201-Y203 PolarHBondContact O-N 3.14Å; Y203-R205 VanDerWaalsContact C-N 3.27Å; Y203-R205 PolarHBondContact O-N 2.68Å; Y203-S206 PolarHBondContact O-N 3.18Å; Y203-S206 PolarHBondContact O-OG 3.29Å; Y203-A207 HydrophobicContact CE1-CB 4.3Å; Y203-A207 HydrophobicContact CE2-CB 4.44Å; Y203-A207 WeakPolarHBondContact O-CB 3.41Å; Y203-A207 PolarHBondContact O-N 2.95Å
204I82.1Confident82.1Confident48 Ų4871.6 Ų71.625%0.24638%0.375CS..Hα-helixtrans-56.6-47.3175.1-65.4172.5000109.5F121 Y200 V201 S206 A207 L208F121-I204 HydrophobicContact CE2-CB 4.3Å; F121-I204 HydrophobicContact CE2-CG1 3.76Å; F121-I204 HydrophobicContact CZ-CD1 4.42Å; F121-I204 HydrophobicContact CZ-CG1 3.65Å; Y200-I204 HydrophobicContact CD1-CD1 3.62Å; Y200-I204 HydrophobicContact CD1-CG1 3.87Å; Y200-I204 HydrophobicContact CE1-CD1 3.6Å; Y200-I204 HydrophobicContact CE1-CG1 3.8Å; Y200-I204 WeakPolarHBondContact O-CG1 3.45Å; Y200-I204 PolarHBondContact O-N 3.41Å; V201-I204 PolarHBondContact O-N 2.98Å; I204-S206 PolarHBondContact O-N 2.85Å; I204-A207 PolarHBondContact O-N 2.71Å; I204-L208 HydrophobicContact CG2-CD1 3.49Å; I204-L208 VanDerWaalsContact CG2-CD1 3.49Å; I204-L208 HydrophobicContact CG2-CG 4.05Å; I204-L208 WeakPolarHBondContact O-CB 3.07Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.47Å; I204-L208 PolarHBondContact O-N 3.04Å
205R83.2Confident82.1Confident148 Ų14871.4 Ų71.456%0.55838%0.379SS*.Hα-helixtrans-59.3-48.7179.2-76176.2176.6169.7-3111.4V201 N202 Y203 A207 L208 M209V201-R205 WeakPolarHBondContact O-CB 3.48Å; V201-R205 WeakPolarHBondContact O-CG 3.45Å; V201-R205 PolarHBondContact O-N 2.57Å; N202-R205 PolarHBondContact O-N 2.67Å; Y203-R205 VanDerWaalsContact C-N 3.27Å; Y203-R205 PolarHBondContact O-N 2.68Å; R205-A207 VanDerWaalsContact C-N 3.32Å; R205-A207 PolarHBondContact O-N 3.27Å; R205-L208 PolarHBondContact O-N 3.38Å; R205-M209 WeakPolarHBondContact O-CB 3.39Å; R205-M209 WeakPolarHBondContact O-CG 3.41Å; R205-M209 PolarHBondContact O-N 2.88Å
206S79.6Confident82.1Confident68 Ų6869.2 Ų69.248%0.47636%0.361SS..Hα-helixtrans-66.9-34.517967.90000112.6N202 Y203 I204N202-S206 PolarHBondContact O-N 3.49Å; N202-S206 PolarHBondContact O-OG 3.44Å; Y203-S206 PolarHBondContact O-N 3.18Å; Y203-S206 PolarHBondContact O-OG 3.29Å; I204-S206 PolarHBondContact O-N 2.85Å
207A75.6Confident82.2Confident5 Ų568 Ų684%0.04136%0.357CS..Hα-helixtrans-69.5-35.9175.100000111.8F121 Y203 I204 R205 R212F121-A207 HydrophobicContact CD2-CB 4.04Å; F121-A207 HydrophobicContact CE2-CB 4.4Å; Y203-A207 HydrophobicContact CE1-CB 4.3Å; Y203-A207 HydrophobicContact CE2-CB 4.44Å; Y203-A207 WeakPolarHBondContact O-CB 3.41Å; Y203-A207 PolarHBondContact O-N 2.95Å; I204-A207 PolarHBondContact O-N 2.71Å; R205-A207 VanDerWaalsContact C-N 3.32Å; R205-A207 PolarHBondContact O-N 3.27Å; A207-R212 PolarHBondContact O-NE 3.49Å; A207-R212 PolarHBondContact O-NH2 3.38Å
208L74.4Confident82.4Confident45 Ų4561.6 Ų61.624%0.23633%0.329CS..Hα-helixtrans-88.7-12179.8-65.2179.4000113.3I204 R205 H210 V378 M383I204-L208 HydrophobicContact CG2-CD1 3.49Å; I204-L208 VanDerWaalsContact CG2-CD1 3.49Å; I204-L208 HydrophobicContact CG2-CG 4.05Å; I204-L208 WeakPolarHBondContact O-CB 3.07Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.47Å; I204-L208 PolarHBondContact O-N 3.04Å; R205-L208 PolarHBondContact O-N 3.38Å; L208-H210 PolarHBondContact O-N 2.78Å; L208-H210 VanDerWaalsContact O-N 3.14Å; L208-V378 HydrophobicContact CD2-CG1 4.2Å; L208-M383 HydrophobicContact CD1-CE 3.94Å; L208-M383 HydrophobicContact CD2-CE 4.5Å
209M72.9Confident82.4Confident130 Ų13058.2 Ų58.264%0.6431%0.314SS*.SBendtrans-68109.1171.4-83.3174.717900109.8R205R205-M209 WeakPolarHBondContact O-CB 3.39Å; R205-M209 WeakPolarHBondContact O-CG 3.41Å; R205-M209 PolarHBondContact O-N 2.88Å
210H67.3Low82.6Confident82 Ų8257.4 Ų57.438%0.3830%0.303SS..SBendtrans-99.2148.8170.4-83.9-83000111T119 L208T119-H210 PolarHBondContact OG1-CE1 2.84Å; T119-H210 PolarHBondContact OG1-NE2 2.88Å; L208-H210 PolarHBondContact O-N 2.78Å; L208-H210 VanDerWaalsContact O-N 3.14Å
211P69Low82.7Confident44 Ų4454.7 Ų54.729%0.28629%0.292SS..SBendcis-76.5137.3-928.8-31.9000112.1Y369 G370P211-Y369 HydrophobicContact CG-CD1 4.02Å; P211-Y369 HydrophobicContact CG-CG 4.27Å; P211-G370 WeakPolarHBondContact CB-O 3.35Å
212R69.4Low83Confident77 Ų7754.2 Ų54.229%0.29129%0.288SS..PPolyproline II helixtrans-67.2128.3174.3-69.6-172.7-172.8165.96.8109.5A207 V214A207-R212 PolarHBondContact O-NE 3.49Å; A207-R212 PolarHBondContact O-NH2 3.38Å; R212-V214 PolarHBondContact O-N 2.82Å
213P77.6Confident83.3Confident80 Ų8053.7 Ų53.752%0.51928%0.283SS..EExtended strand (participates in β ladder)trans-69.2122.2172.928.1-32.1000109.1F367 Y369P213-F367 HydrophobicContact CB-CB 4.31Å; P213-Y369 HydrophobicContact CB-CD1 4.44Å; P213-Y369 HydrophobicContact CB-CE1 4.28Å
214V81.2Confident83.8Confident53 Ų5351.5 Ų51.532%0.32128%0.275SS..EExtended strand (participates in β ladder)trans-91.2114.8171.4-178.50000107.4P114 R212 W310 F367 V368P114-V214 HydrophobicContact CG-CB 4.49Å; P114-V214 HydrophobicContact CG-CG1 4.02Å; R212-V214 PolarHBondContact O-N 2.82Å; V214-W310 WeakPolarHBondContact O-CH2 3.36Å; V214-F367 VanDerWaalsContact O-CA 3.32Å; V214-F367 WeakPolarHBondContact O-CA 3.35Å; V214-V368 PolarHBondContact N-O 3.2Å; V214-V368 PolarHBondContact O-N 2.87Å
215P86.8Confident84.4Confident95 Ų9549.2 Ų49.262%0.61726%0.263SS*.EExtended strand (participates in β ladder)trans-72.7153.5176.731.3-34.7000110.8W310P215-W310 VanDerWaalsContact C-CH2 3.46Å
216A90.3Very high85Confident16 Ų1645 Ų4513%0.13225%0.252CS..  trans-53.9133.517300000110.9F218 T219 W310 I312 P366A216-F218 PolarHBondContact O-N 2.98Å; A216-T219 HydrophobicContact CB-CG2 4.2Å; A216-W310 HydrophobicContact CB-CH2 4.04Å; A216-W310 HydrophobicContact CB-CZ2 3.91Å; A216-W310 VanDerWaalsContact N-CH2 3.26Å; A216-I312 HydrophobicContact CB-CD1 3.78Å; A216-P366 PolarHBondContact N-O 2.71Å
217P91.4Very high85.8Confident30 Ų3043.5 Ų43.520%0.19524%0.237CC..SBendtrans-65.9-23.6-179.526.7-35.4000113.1L111 Q227 Y233L111-P217 HydrophobicContact CD1-CG 4.17Å; P217-Q227 PolarHBondContact O-NE2 2.85Å; P217-Y233 HydrophobicContact CB-CE2 3.74Å; P217-Y233 HydrophobicContact CG-CE2 4.17Å; P217-Y233 WeakPolarHBondContact CG-OH 3.47Å
218F93.9Very high86.7Confident0 Ų043.2 Ų43.20%024%0.235CC..  trans-158.715217646.7-93.1000109.1Y109 L111 A216 E223 L224 Q227 Y233 V288Y109-F218 HydrophobicContact CD1-CE2 4.39Å; Y109-F218 AromaticContact CD2-CD2 3.59Å; Y109-F218 HydrophobicContact CD2-CD2 3.59Å; Y109-F218 AromaticContact CD2-CE2 3.48Å; Y109-F218 HydrophobicContact CD2-CE2 3.48Å; Y109-F218 VanDerWaalsContact CD2-CE2 3.48Å; Y109-F218 AromaticContact CE2-CD2 3.82Å; Y109-F218 HydrophobicContact CE2-CD2 3.82Å; Y109-F218 HydrophobicContact CE2-CE2 4.13Å; Y109-F218 HydrophobicContact CG-CD2 4.16Å; Y109-F218 AromaticContact CG-CE2 3.6Å; Y109-F218 HydrophobicContact CG-CE2 3.6Å; L111-F218 HydrophobicContact CD2-CZ 4.35Å; A216-F218 PolarHBondContact O-N 2.98Å; F218-E223 WeakPolarHBondContact CA-OE2 3.41Å; F218-E223 HydrophobicContact CB-CB 3.6Å; F218-L224 HydrophobicContact CB-CB 4.41Å; F218-L224 HydrophobicContact CD1-CD1 4.03Å; F218-L224 HydrophobicContact CD2-CB 3.98Å; F218-L224 HydrophobicContact CD2-CD1 4.13Å; F218-L224 HydrophobicContact CE1-CD1 3.75Å; F218-L224 HydrophobicContact CE2-CB 4.46Å; F218-L224 HydrophobicContact CE2-CD1 3.86Å; F218-L224 HydrophobicContact CG-CB 4.08Å; F218-L224 HydrophobicContact CG-CD1 4.22Å; F218-L224 HydrophobicContact CZ-CD1 3.69Å; F218-Q227 HydrophobicContact CD1-CB 4.42Å; F218-Q227 HydrophobicContact CD1-CG 4.08Å; F218-Y233 HydrophobicContact CE1-CD1 4.37Å; F218-Y233 HydrophobicContact CE1-CD2 4.14Å; F218-Y233 HydrophobicContact CE1-CE1 4.46Å; F218-Y233 HydrophobicContact CE1-CE2 4.24Å; F218-Y233 HydrophobicContact CE1-CG 4.2Å; F218-V288 HydrophobicContact CE1-CG2 4.11Å; F218-V288 HydrophobicContact CE2-CG1 4.23Å; F218-V288 HydrophobicContact CZ-CB 4.43Å; F218-V288 HydrophobicContact CZ-CG1 3.82Å; F218-V288 HydrophobicContact CZ-CG2 3.7Å
219T92.3Very high87.8Confident27 Ų2744.6 Ų44.617%0.16624%0.242CC..SBendtrans-125.6-9.5-179.462.20000113.4A216 E223 R315A216-T219 HydrophobicContact CB-CG2 4.2Å; T219-E223 PolarHBondContact N-OE2 2.77Å; T219-E223 PolarHBondContact OG1-OE1 2.82Å; T219-E223 PolarHBondContact OG1-OE2 3.33Å; T219-R315 PolarHBondContact O-N 2.93Å
220N93.2Very high88.8Confident28 Ų2844.7 Ų44.715%0.1524%0.239CC..SBendtrans-146.6170.9-179.258.957.9000110.3Y109 D222 E223 L224 Q316Y109-N220 WeakPolarHBondContact OH-CA 2.99Å; Y109-N220 PolarHBondContact OH-O 2.74Å; N220-D222 VanDerWaalsContact C-N 3.32Å; N220-D222 PolarHBondContact O-N 3.32Å; N220-D222 PolarHBondContact OD1-N 2.86Å; N220-E223 PolarHBondContact ND2-OE1 3.33Å; N220-E223 PolarHBondContact O-N 3.38Å; N220-E223 WeakPolarHBondContact OD1-CB 3.32Å; N220-E223 VanDerWaalsContact OD1-CG 3.31Å; N220-E223 WeakPolarHBondContact OD1-CG 3.46Å; N220-E223 PolarHBondContact OD1-N 2.71Å; N220-L224 PolarHBondContact O-N 2.82Å; N220-Q316 HydrophobicContact CB-CB 3.8Å
221I93.3Very high90Very high0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-70.8-30.1-171.7-162.972.1000112.4Y109 L224 T225 P247 C249 L257Y109-I221 HydrophobicContact CE1-CD1 4.33Å; Y109-I221 WeakPolarHBondContact OH-CA 3.41Å; Y109-I221 PolarHBondContact OH-N 3.46Å; I221-L224 HydrophobicContact CD1-CD2 4.02Å; I221-L224 PolarHBondContact O-N 3.3Å; I221-T225 WeakPolarHBondContact O-CB 3.19Å; I221-T225 PolarHBondContact O-N 3.3Å; I221-T225 PolarHBondContact O-OG1 3.03Å; I221-P247 HydrophobicContact CD1-CG 3.61Å; I221-C249 HydrophobicContact CG1-CB 4.3Å; I221-C249 HydrophobicContact CG2-CB 4.14Å; I221-L257 HydrophobicContact CD1-CD2 3.89Å; I221-L257 HydrophobicContact CG1-CD2 4Å
222D94.6Very high91.2Very high32 Ų3248 Ų4817%0.17126%0.257CS..Hα-helixtrans-69.4-43.5177.3-70.1-42.3000110.7N220 T225 D226 S253 R256 Q316N220-D222 VanDerWaalsContact C-N 3.32Å; N220-D222 PolarHBondContact O-N 3.32Å; N220-D222 PolarHBondContact OD1-N 2.86Å; D222-T225 WeakPolarHBondContact O-CB 3.36Å; D222-T225 PolarHBondContact O-N 3.2Å; D222-T225 VanDerWaalsContact O-N 3.16Å; D222-D226 PolarHBondContact O-N 3.14Å; D222-S253 WeakPolarHBondContact OD1-CB 3.37Å; D222-S253 PolarHBondContact OD1-OG 2.88Å; D222-S253 PolarHBondContact OD2-OG 3.12Å; D222-R256 IonicContact OD1-NH1 3.47Å; D222-R256 PolarHBondContact OD1-NH1 2.99Å; D222-Q316 PolarHBondContact OD2-NE2 3.34Å; D222-Q316 PolarHBondContact OD2-OE1 2.93Å
223E95.4Very high92.4Very high72 Ų7246.4 Ų46.434%0.33625%0.251SS..Hα-helixtrans-63.5-41.2173.1-75.4168.9-159.200111.6F218 T219 N220 T225 D226 Q227F218-E223 WeakPolarHBondContact CA-OE2 3.41Å; F218-E223 HydrophobicContact CB-CB 3.6Å; T219-E223 PolarHBondContact N-OE2 2.77Å; T219-E223 PolarHBondContact OG1-OE1 2.82Å; T219-E223 PolarHBondContact OG1-OE2 3.33Å; N220-E223 PolarHBondContact ND2-OE1 3.33Å; N220-E223 PolarHBondContact O-N 3.38Å; N220-E223 WeakPolarHBondContact OD1-CB 3.32Å; N220-E223 VanDerWaalsContact OD1-CG 3.31Å; N220-E223 WeakPolarHBondContact OD1-CG 3.46Å; N220-E223 PolarHBondContact OD1-N 2.71Å; E223-T225 VanDerWaalsContact C-N 3.28Å; E223-T225 PolarHBondContact O-N 3.27Å; E223-D226 PolarHBondContact O-N 3.47Å; E223-Q227 VanDerWaalsContact O-CG 3.29Å; E223-Q227 WeakPolarHBondContact O-CG 3.31Å; E223-Q227 PolarHBondContact O-N 3.03Å
224L95.4Very high93.2Very high1 Ų147.1 Ų47.11%0.00524%0.243CC..Hα-helixtrans-59.2-43172.7175.260.9000110.7Y109 F218 N220 I221 D226 Q227 L228 V288 V290Y109-L224 HydrophobicContact CD1-CD2 4.31Å; Y109-L224 HydrophobicContact CE1-CD2 4.04Å; F218-L224 HydrophobicContact CB-CB 4.41Å; F218-L224 HydrophobicContact CD1-CD1 4.03Å; F218-L224 HydrophobicContact CD2-CB 3.98Å; F218-L224 HydrophobicContact CD2-CD1 4.13Å; F218-L224 HydrophobicContact CE1-CD1 3.75Å; F218-L224 HydrophobicContact CE2-CB 4.46Å; F218-L224 HydrophobicContact CE2-CD1 3.86Å; F218-L224 HydrophobicContact CG-CB 4.08Å; F218-L224 HydrophobicContact CG-CD1 4.22Å; F218-L224 HydrophobicContact CZ-CD1 3.69Å; N220-L224 PolarHBondContact O-N 2.82Å; I221-L224 HydrophobicContact CD1-CD2 4.02Å; I221-L224 PolarHBondContact O-N 3.3Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.83Å; L224-Q227 PolarHBondContact O-N 2.99Å; L224-Q227 VanDerWaalsContact O-N 3.15Å; L224-L228 HydrophobicContact CD1-CD1 4.48Å; L224-L228 HydrophobicContact CD1-CG 4.33Å; L224-L228 HydrophobicContact CG-CD1 4.14Å; L224-L228 HydrophobicContact CG-CG 4.46Å; L224-L228 WeakPolarHBondContact O-CG 2.85Å; L224-L228 PolarHBondContact O-N 2.96Å; L224-V288 HydrophobicContact CD1-CG1 4.38Å; L224-V288 HydrophobicContact CD1-CG2 4.39Å; L224-V290 HydrophobicContact CD2-CG2 3.98Å
225T95.6Very high93.9Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-60.9-43.4178.1-57.60000111.3I221 D222 E223 Q227 L228 L229 R256 A260I221-T225 WeakPolarHBondContact O-CB 3.19Å; I221-T225 PolarHBondContact O-N 3.3Å; I221-T225 PolarHBondContact O-OG1 3.03Å; D222-T225 WeakPolarHBondContact O-CB 3.36Å; D222-T225 PolarHBondContact O-N 3.2Å; D222-T225 VanDerWaalsContact O-N 3.16Å; E223-T225 VanDerWaalsContact C-N 3.28Å; E223-T225 PolarHBondContact O-N 3.27Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 3.23Å; T225-L228 PolarHBondContact O-N 3.05Å; T225-L229 HydrophobicContact CG2-CD1 4.33Å; T225-L229 WeakPolarHBondContact O-CG 3.45Å; T225-L229 PolarHBondContact O-N 3.4Å; T225-R256 HydrophobicContact CG2-CB 4.2Å; T225-A260 HydrophobicContact CG2-CB 3.81Å
226D96.5Very high94.3Very high61 Ų6140.2 Ų40.233%0.32620%0.2SC..Hα-helixtrans-63.4-34.7176.3-67.9-13.8000112.1D222 E223 L224 K230 R256D222-D226 PolarHBondContact O-N 3.14Å; E223-D226 PolarHBondContact O-N 3.47Å; L224-D226 VanDerWaalsContact C-N 3.34Å; L224-D226 PolarHBondContact O-N 2.83Å; D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.21Å; D226-K230 PolarHBondContact O-N 3.01Å; D226-R256 IonicContact OD1-CZ 3.97Å; D226-R256 IonicContact OD1-NH2 2.84Å; D226-R256 PolarHBondContact OD1-NH2 3.39Å
227Q95.7Very high94.3Very high35 Ų3540.7 Ų40.716%0.16420%0.199CC..Hα-helixtrans-73.7-34176.7-66.3-64.5-14.300113.1P217 F218 E223 L224 T225 K230 N231 N232 Y233P217-Q227 PolarHBondContact O-NE2 2.85Å; F218-Q227 HydrophobicContact CD1-CB 4.42Å; F218-Q227 HydrophobicContact CD1-CG 4.08Å; E223-Q227 VanDerWaalsContact O-CG 3.29Å; E223-Q227 WeakPolarHBondContact O-CG 3.31Å; E223-Q227 PolarHBondContact O-N 3.03Å; L224-Q227 PolarHBondContact O-N 2.99Å; L224-Q227 VanDerWaalsContact O-N 3.15Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 3.23Å; Q227-K230 PolarHBondContact O-N 3.26Å; Q227-N231 PolarHBondContact O-N 3.44Å; Q227-N232 PolarHBondContact O-N 2.61Å; Q227-N232 VanDerWaalsContact O-N 3.12Å; Q227-N232 PolarHBondContact OE1-ND2 2.99Å; Q227-Y233 HydrophobicContact CB-CD2 3.98Å; Q227-Y233 HydrophobicContact CG-CD2 4.5Å
228L95.5Very high94Very high0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-63.9-48.2171.4-68.7167.3000110.1L224 T225 K230 N231 Y233 L235 L257 A260 L261 T264L224-L228 HydrophobicContact CD1-CD1 4.48Å; L224-L228 HydrophobicContact CD1-CG 4.33Å; L224-L228 HydrophobicContact CG-CD1 4.14Å; L224-L228 HydrophobicContact CG-CG 4.46Å; L224-L228 WeakPolarHBondContact O-CG 2.85Å; L224-L228 PolarHBondContact O-N 2.96Å; T225-L228 PolarHBondContact O-N 3.05Å; L228-K230 PolarHBondContact O-N 3.32Å; L228-N231 WeakPolarHBondContact O-CA 3.38Å; L228-N231 PolarHBondContact O-N 3.47Å; L228-Y233 WeakPolarHBondContact CD2-O 3.44Å; L228-L235 HydrophobicContact CD2-CB 4.33Å; L228-L257 HydrophobicContact CD1-CD1 3.54Å; L228-A260 HydrophobicContact CB-CB 4.45Å; L228-L261 HydrophobicContact CD1-CD2 4.24Å; L228-T264 VanDerWaalsContact O-CG2 3.25Å; L228-T264 WeakPolarHBondContact O-CG2 3.22Å
229L95.4Very high93.6Very high74 Ų7447 Ų4739%0.38722%0.222SC..Hα-helixtrans-60.2-30.9178.1-71.1170.8000113.1T225 N231 A260 Q263T225-L229 HydrophobicContact CG2-CD1 4.33Å; T225-L229 WeakPolarHBondContact O-CG 3.45Å; T225-L229 PolarHBondContact O-N 3.4Å; L229-N231 VanDerWaalsContact C-N 3.25Å; L229-N231 PolarHBondContact O-N 2.74Å; L229-A260 HydrophobicContact CD2-CB 3.7Å; L229-A260 HydrophobicContact CG-CB 3.85Å; L229-Q263 VanDerWaalsContact CD2-OE1 3.27Å
230K94.6Very high93.2Very high132 Ų13252.7 Ų52.757%0.57425%0.247SC*.THydrogen-bonded Turntrans-78.7-2.5174.1-70.6169.7-172.7170.40113.9D226 Q227 L228 N232D226-K230 VanDerWaalsContact O-CG 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.21Å; D226-K230 PolarHBondContact O-N 3.01Å; Q227-K230 PolarHBondContact O-N 3.26Å; L228-K230 PolarHBondContact O-N 3.32Å; K230-N232 PolarHBondContact O-N 3.16Å
231N93.2Very high92.8Very high109 Ų10955.2 Ų55.258%0.58326%0.26SS*.THydrogen-bonded Turntrans57.521.2-171.7-68.1-47.4000114.6Q227 L228 L229Q227-N231 PolarHBondContact O-N 3.44Å; L228-N231 WeakPolarHBondContact O-CA 3.38Å; L228-N231 PolarHBondContact O-N 3.47Å; L229-N231 VanDerWaalsContact C-N 3.25Å; L229-N231 PolarHBondContact O-N 2.74Å
232N92.9Very high92.6Very high85 Ų8556.2 Ų56.246%0.45527%0.267SS..SBendtrans-75.5-31.1176.4-72.3-19.6000111.5Q227 K230 N286Q227-N232 PolarHBondContact O-N 2.61Å; Q227-N232 VanDerWaalsContact O-N 3.12Å; Q227-N232 PolarHBondContact OE1-ND2 2.99Å; K230-N232 PolarHBondContact O-N 3.16Å; N232-N286 WeakPolarHBondContact O-CB 3.32Å
233Y95.6Very high92.1Very high45 Ų4557.3 Ų57.318%0.17628%0.28CS..  trans-133.7163179.2-70.1-87.9000110.8L111 P217 F218 Q227 L228 N286 V288L111-Y233 HydrophobicContact CD1-CE1 4.49Å; P217-Y233 HydrophobicContact CB-CE2 3.74Å; P217-Y233 HydrophobicContact CG-CE2 4.17Å; P217-Y233 WeakPolarHBondContact CG-OH 3.47Å; F218-Y233 HydrophobicContact CE1-CD1 4.37Å; F218-Y233 HydrophobicContact CE1-CD2 4.14Å; F218-Y233 HydrophobicContact CE1-CE1 4.46Å; F218-Y233 HydrophobicContact CE1-CE2 4.24Å; F218-Y233 HydrophobicContact CE1-CG 4.2Å; Q227-Y233 HydrophobicContact CB-CD2 3.98Å; Q227-Y233 HydrophobicContact CG-CD2 4.5Å; L228-Y233 WeakPolarHBondContact CD2-O 3.44Å; Y233-N286 CarbonylContact C-O 3.59Å; Y233-N286 WeakPolarHBondContact CA-O 3.3Å; Y233-V288 HydrophobicContact CD1-CG2 3.49Å; Y233-V288 VanDerWaalsContact CD1-CG2 3.49Å; Y233-V288 HydrophobicContact CE1-CG2 4.33Å; Y233-V288 HydrophobicContact CG-CG2 3.98Å
234R94.7Very high91.5Very high94 Ų9458 Ų5836%0.35528%0.283SS..EExtended strand (participates in β ladder)trans-134.4140.5171.5-57.1-174.892177.78.5109.7T264 N286 L287 V288R234-T264 PolarHBondContact NH2-O 2.77Å; R234-N286 PolarHBondContact N-O 3.47Å; R234-L287 HydrophobicContact CB-CD2 4.15Å; R234-V288 PolarHBondContact O-N 3.41Å
235L95.4Very high91Very high3 Ų358.4 Ų58.42%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-78.4124.2177.9-17463.4000109.7L228 V245 L261 V266 Y267 V290L228-L235 HydrophobicContact CD2-CB 4.33Å; L235-V245 HydrophobicContact CD2-CG1 3.44Å; L235-V245 VanDerWaalsContact CD2-CG1 3.44Å; L235-V245 HydrophobicContact CG-CG1 4.08Å; L235-L261 HydrophobicContact CB-CD2 3.77Å; L235-L261 HydrophobicContact CD2-CD1 3.85Å; L235-L261 HydrophobicContact CD2-CD2 3.7Å; L235-L261 HydrophobicContact CD2-CG 4.4Å; L235-L261 HydrophobicContact CG-CD2 4.39Å; L235-V266 WeakPolarHBondContact O-CG1 2.88Å; L235-Y267 PolarHBondContact O-N 2.85Å; L235-V290 HydrophobicContact CD1-CB 4.17Å; L235-V290 HydrophobicContact CD1-CG2 3.31Å
236M94.6Very high90.6Very high0 Ų061 Ų610%030%0.299CS..EExtended strand (participates in β ladder)trans-94.5130.1175.7-177.6-179.674.800110.5Y267 V269 L277 E280 L281 L287 V288 L289M236-Y267 WeakPolarHBondContact CA-O 3.32Å; M236-Y267 HydrophobicContact CG-CD1 4.07Å; M236-V269 HydrophobicContact CG-CG2 3.65Å; M236-V269 HydrophobicContact SD-CG2 3.69Å; M236-L277 HydrophobicContact CE-CB 3.99Å; M236-L277 HydrophobicContact CE-CD2 3.97Å; M236-L277 WeakPolarHBondContact CE-O 3.41Å; M236-L277 HydrophobicContact SD-CD2 4.45Å; M236-E280 HydrophobicContact SD-CB 3.94Å; M236-L281 HydrophobicContact CE-CD1 3.78Å; M236-L281 HydrophobicContact CE-CD2 3.95Å; M236-L281 HydrophobicContact CE-CG 3.49Å; M236-L281 VanDerWaalsContact CE-CG 3.49Å; M236-L281 HydrophobicContact SD-CD2 4.48Å; M236-L281 HydrophobicContact SD-CG 4.18Å; M236-L287 HydrophobicContact SD-CD1 4.16Å; M236-V288 PolarHBondContact N-O 2.85Å; M236-L289 HydrophobicContact CE-CB 3.94Å; M236-L289 HydrophobicContact CE-CD1 4.03Å; M236-L289 HydrophobicContact CE-CD2 4.2Å; M236-L289 HydrophobicContact CE-CG 4.28Å
237H91.8Very high90.2Very high26 Ų2659 Ų5912%0.1229%0.289CS..EExtended strand (participates in β ladder)trans-151.9158.5173.4-152.5-82.7000112.3F239 V245 V266 Y267 F268 V269H237-F239 AromaticContact CE1-CD2 3.28Å; H237-F239 WeakPolarHBondContact CE1-CD2 3.2Å; H237-F239 AromaticContact CE1-CE2 3.96Å; H237-F239 AromaticContact ND1-CD2 3.54Å; H237-F239 AromaticContact ND1-CG 3.88Å; H237-F239 PolarHBondContact ND1-N 3.16Å; H237-F239 PolarHBondContact O-N 3.42Å; H237-V245 HydrophobicContact CB-CB 4.31Å; H237-V245 HydrophobicContact CB-CG1 3.59Å; H237-V245 HydrophobicContact CB-CG2 3.76Å; H237-V266 HydrophobicContact CB-CG1 3.84Å; H237-Y267 PolarHBondContact N-O 3.21Å; H237-F268 WeakPolarHBondContact O-CA 3.42Å; H237-V269 PolarHBondContact O-N 3.29Å
238Y85.4Confident89.7Confident81 Ų8158.6 Ų58.632%0.31829%0.291SS..SBendtrans-84.96.7172.762.5-89.1000113.3F268 V269Y238-F268 VanDerWaalsContact O-CE2 3.28Å; Y238-F268 WeakPolarHBondContact O-CE2 3.43Å; Y238-V269 WeakPolarHBondContact CA-O 3.07Å; Y238-V269 WeakPolarHBondContact CB-O 3.27Å
239F83.6Confident89.4Confident81 Ų8159.9 Ų59.936%0.35530%0.299SS..  trans-115.3136.9172.2-72.3-54000108H237 H244 V245H237-F239 AromaticContact CE1-CD2 3.28Å; H237-F239 WeakPolarHBondContact CE1-CD2 3.2Å; H237-F239 AromaticContact CE1-CE2 3.96Å; H237-F239 AromaticContact ND1-CD2 3.54Å; H237-F239 AromaticContact ND1-CG 3.88Å; H237-F239 PolarHBondContact ND1-N 3.16Å; H237-F239 PolarHBondContact O-N 3.42Å; F239-H244 HydrophobicContact CB-CB 4.21Å; F239-H244 HydrophobicContact CD2-CB 4.17Å; F239-H244 HydrophobicContact CG-CB 4.21Å; F239-V245 HydrophobicContact CB-CG2 3.8Å; F239-V245 VanDerWaalsContact O-CG2 3.27Å; F239-V245 WeakPolarHBondContact O-CG2 3.01Å
240Q84.1Confident89Confident147 Ų14761.1 Ų61.169%0.68730%0.304SS*.SBendtrans-83-30.9-178.3-166.7175.810.100112.6P242 F268Q240-P242 WeakPolarHBondContact O-CD 3.41Å; Q240-F268 HydrophobicContact CB-CD2 4.06Å; Q240-F268 HydrophobicContact CB-CG 4.4Å
241N86.4Confident88.8Confident82 Ų8260.3 Ų60.344%0.43931%0.313SS..SBendtrans-80.6120.4-177-173.9-26.5000110.8A243 H244 V245N241-A243 PolarHBondContact O-N 2.92Å; N241-A243 VanDerWaalsContact O-N 3.14Å; N241-A243 PolarHBondContact OD1-N 3.15Å; N241-H244 PolarHBondContact O-N 3.46Å; N241-V245 WeakPolarHBondContact O-CG2 3.25Å; N241-V245 PolarHBondContact O-N 3.47Å
242P87.8Confident88.7Confident21 Ų2161.2 Ų61.214%0.13631%0.313CS..G310 helixtrans-50.6-37.7179-30.637.7000114.7Q240 H244 V245 L246 L258 L261 V266Q240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-H244 PolarHBondContact O-N 2.92Å; P242-V245 PolarHBondContact O-N 2.73Å; P242-L246 PolarHBondContact O-N 2.02Å; P242-L258 HydrophobicContact CB-CD1 3.82Å; P242-L261 HydrophobicContact CB-CB 3.91Å; P242-L261 HydrophobicContact CB-CD1 4.45Å; P242-L261 HydrophobicContact CG-CB 4.42Å; P242-V266 HydrophobicContact CG-CG2 4.32Å
243A84.7Confident88.7Confident54 Ų5457.3 Ų57.345%0.44629%0.292SS..G310 helixtrans-64.8-27.1-179.200000113.2N241N241-A243 PolarHBondContact O-N 2.92Å; N241-A243 VanDerWaalsContact O-N 3.14Å; N241-A243 PolarHBondContact OD1-N 3.15Å
244H82.2Confident88.6Confident88 Ų8856.5 Ų56.541%0.40729%0.293SS..G310 helixtrans-88.8-7.7176.8-61152.5000113.3K59 F239 N241 P242K59-H244 PolarHBondContact NZ-CE1 3.29Å; K59-H244 PolarHBondContact NZ-NE2 2.93Å; K59-H244 VanDerWaalsContact NZ-NE2 3.11Å; F239-H244 HydrophobicContact CB-CB 4.21Å; F239-H244 HydrophobicContact CD2-CB 4.17Å; F239-H244 HydrophobicContact CG-CB 4.21Å; N241-H244 PolarHBondContact O-N 3.46Å; P242-H244 PolarHBondContact O-N 2.92Å
245V85.3Confident88.6Confident8 Ų858 Ų585%0.04830%0.304CS..THydrogen-bonded Turntrans-98.8-13.1-175.8175.80000111.2L235 H237 F239 N241 P242 P247 V266L235-V245 HydrophobicContact CD2-CG1 3.44Å; L235-V245 VanDerWaalsContact CD2-CG1 3.44Å; L235-V245 HydrophobicContact CG-CG1 4.08Å; H237-V245 HydrophobicContact CB-CB 4.31Å; H237-V245 HydrophobicContact CB-CG1 3.59Å; H237-V245 HydrophobicContact CB-CG2 3.76Å; F239-V245 HydrophobicContact CB-CG2 3.8Å; F239-V245 VanDerWaalsContact O-CG2 3.27Å; F239-V245 WeakPolarHBondContact O-CG2 3.01Å; N241-V245 WeakPolarHBondContact O-CG2 3.25Å; N241-V245 PolarHBondContact O-N 3.47Å; P242-V245 PolarHBondContact O-N 2.73Å; V245-P247 WeakPolarHBondContact O-CD 3.43Å; V245-V266 HydrophobicContact CB-CG2 4.33Å; V245-V266 HydrophobicContact CG1-CG1 4.14Å; V245-V266 HydrophobicContact CG1-CG2 4.14Å; V245-V266 HydrophobicContact CG2-CG1 4.13Å; V245-V266 HydrophobicContact CG2-CG2 4.22Å
246L88Confident88.6Confident54 Ų5461.9 Ų61.928%0.28332%0.318SS..  trans-56.8120.8-175.8-77.5170.7000111.4P242 L257 L258 L261P242-L246 PolarHBondContact O-N 2.02Å; L246-L257 HydrophobicContact CD2-CB 4.21Å; L246-L257 HydrophobicContact CD2-CD2 3.84Å; L246-L257 HydrophobicContact CD2-CG 3.92Å; L246-L258 HydrophobicContact CD1-CB 4.3Å; L246-L258 HydrophobicContact CD1-CD1 4.2Å; L246-L258 HydrophobicContact CD1-CD2 4.47Å; L246-L258 HydrophobicContact CD2-CB 4.21Å; L246-L261 HydrophobicContact CD2-CD1 4.38Å
247P86.8Confident88.6Confident19 Ų1961.9 Ų61.912%0.12332%0.319CS..  trans-70.3-179.1170.632.2-34.7000110.4Q107 I221 V245 C249 L257 V290Q107-P247 VanDerWaalsContact OE1-CB 3.31Å; I221-P247 HydrophobicContact CD1-CG 3.61Å; V245-P247 WeakPolarHBondContact O-CD 3.43Å; P247-C249 PolarHBondContact O-SG 3.26Å; P247-C249 VanDerWaalsContact O-SG 3.33Å; P247-L257 VanDerWaalsContact CD-CD2 3.46Å; P247-L257 HydrophobicContact CG-CD2 3.63Å; P247-V290 HydrophobicContact CB-CB 4.45Å; P247-V290 HydrophobicContact CB-CG1 3.61Å; P247-V290 HydrophobicContact CG-CG1 4.17Å
248S85.7Confident88.8Confident28 Ų2863.1 Ų63.120%0.19633%0.326CS..SBendtrans-75134.6172.1-72.10000109.8Q107 V317 K320Q107-S248 PolarHBondContact NE2-O 3.25Å; Q107-S248 PolarHBondContact OE1-O 3.44Å; S248-V317 WeakPolarHBondContact O-CG1 3.25Å; S248-V317 WeakPolarHBondContact O-CG2 3.41Å; S248-K320 WeakPolarHBondContact OG-CE 3.07Å; S248-K320 PolarHBondContact OG-NZ 2.87Å
249C88.7Confident89.2Confident26 Ų2662.6 Ų62.618%0.17633%0.331CS..  trans-158.5163.4-178.835.10000109.4I221 P247 C254I221-C249 HydrophobicContact CG1-CB 4.3Å; I221-C249 HydrophobicContact CG2-CB 4.14Å; P247-C249 PolarHBondContact O-SG 3.26Å; P247-C249 VanDerWaalsContact O-SG 3.33Å; C249-C254 VanDerWaalsContact CA-SG 3.55Å; C249-C254 HydrophobicContact CB-CB 4.2Å; C249-C254 WeakPolarHBondContact CB-SG 3.3Å; C249-C254 PolarHBondContact O-SG 3.23Å; C249-C254 WeakPolarHBondContact SG-CA 3.32Å; C249-C254 WeakPolarHBondContact SG-CB 3.38Å; C249-C254 CovalentContact SG-SG 2.02Å; C249-C254 PolarHBondContact SG-SG 3.12Å
250M88Confident89.8Confident101 Ų10158.7 Ų58.750%0.49831%0.314SS..  trans-66.7153168.3-70.8-176.7-115.700110H252 S253 C254 Q316M250-H252 VanDerWaalsContact C-N 3.28Å; M250-H252 PolarHBondContact O-N 2.88Å; M250-H252 VanDerWaalsContact O-N 3.16Å; M250-S253 PolarHBondContact O-N 3.43Å; M250-C254 PolarHBondContact O-N 3.45Å; M250-C254 PolarHBondContact O-SG 2.98Å; M250-Q316 HydrophobicContact CE-CG 3.46Å; M250-Q316 VanDerWaalsContact CE-CG 3.46Å
251P89.4Confident90.3Very high115 Ų11551.8 Ų51.875%0.74728%0.282SS*.Hα-helixtrans-50.8-45.5-174.6-29.135000113.7C254 E255P251-C254 PolarHBondContact O-N 3.23Å; P251-E255 PolarHBondContact O-N 2.87Å
252H92Very high90.7Very high127 Ų12753 Ų5359%0.58829%0.288SS*.Hα-helixtrans-65-45.7178.5-174.658.3000112.7M250 C254 E255 R256M250-H252 VanDerWaalsContact C-N 3.28Å; M250-H252 PolarHBondContact O-N 2.88Å; M250-H252 VanDerWaalsContact O-N 3.16Å; H252-C254 VanDerWaalsContact C-N 3.34Å; H252-C254 PolarHBondContact O-N 3.27Å; H252-E255 PolarHBondContact O-N 3.4Å; H252-R256 WeakPolarHBondContact O-CG 3.26Å; H252-R256 PolarHBondContact O-N 2.83Å
253S93.2Very high91Very high4 Ų458.5 Ų58.53%0.02831%0.312CS..Hα-helixtrans-65-36.9177-570000112.2D222 M250 R256 L257D222-S253 WeakPolarHBondContact OD1-CB 3.37Å; D222-S253 PolarHBondContact OD1-OG 2.88Å; D222-S253 PolarHBondContact OD2-OG 3.12Å; M250-S253 PolarHBondContact O-N 3.43Å; S253-R256 PolarHBondContact O-N 2.9Å; S253-L257 VanDerWaalsContact O-CB 3.3Å; S253-L257 WeakPolarHBondContact O-CB 3.4Å; S253-L257 PolarHBondContact O-N 3.33Å
254C93Very high91.3Very high28 Ų2856.6 Ų56.619%0.18930%0.295CS..Hα-helixtrans-65.3-39.9175-67.30000112.2C249 M250 P251 H252 L257 L258C249-C254 VanDerWaalsContact CA-SG 3.55Å; C249-C254 HydrophobicContact CB-CB 4.2Å; C249-C254 WeakPolarHBondContact CB-SG 3.3Å; C249-C254 PolarHBondContact O-SG 3.23Å; C249-C254 WeakPolarHBondContact SG-CA 3.32Å; C249-C254 WeakPolarHBondContact SG-CB 3.38Å; C249-C254 CovalentContact SG-SG 2.02Å; C249-C254 PolarHBondContact SG-SG 3.12Å; M250-C254 PolarHBondContact O-N 3.45Å; M250-C254 PolarHBondContact O-SG 2.98Å; P251-C254 PolarHBondContact O-N 3.23Å; H252-C254 VanDerWaalsContact C-N 3.34Å; H252-C254 PolarHBondContact O-N 3.27Å; C254-L257 PolarHBondContact O-N 2.92Å; C254-L258 VanDerWaalsContact O-CB 3.29Å; C254-L258 WeakPolarHBondContact O-CB 3.32Å; C254-L258 PolarHBondContact O-N 3.45Å
255E94.6Very high91.8Very high126 Ų12653.7 Ų53.759%0.58929%0.289SS*.Hα-helixtrans-64.4-44.3176.3-173.9-178.6-172.900111.3P251 H252 L258 T259P251-E255 PolarHBondContact O-N 2.87Å; H252-E255 PolarHBondContact O-N 3.4Å; E255-L258 PolarHBondContact O-N 3.48Å; E255-T259 PolarHBondContact O-N 2.84Å; E255-T259 PolarHBondContact O-OG1 3.16Å
256R95.1Very high92.1Very high83 Ų8354.3 Ų54.331%0.31329%0.293SS..Hα-helixtrans-60-46.9173.6-70.9-176.768.4-149-1.7111.4D222 T225 D226 H252 S253 T259 A260D222-R256 IonicContact OD1-NH1 3.47Å; D222-R256 PolarHBondContact OD1-NH1 2.99Å; T225-R256 HydrophobicContact CG2-CB 4.2Å; D226-R256 IonicContact OD1-CZ 3.97Å; D226-R256 IonicContact OD1-NH2 2.84Å; D226-R256 PolarHBondContact OD1-NH2 3.39Å; H252-R256 WeakPolarHBondContact O-CG 3.26Å; H252-R256 PolarHBondContact O-N 2.83Å; S253-R256 PolarHBondContact O-N 2.9Å; R256-T259 WeakPolarHBondContact O-CB 3.2Å; R256-T259 PolarHBondContact O-N 3.23Å; R256-A260 PolarHBondContact O-N 3.39Å
257L95Very high92.5Very high1 Ų154.7 Ų54.71%0.00529%0.291CS..Hα-helixtrans-63.2-43.9178.6179.760.7000111.8I221 L228 L246 P247 S253 C254 T259 A260 L261I221-L257 HydrophobicContact CD1-CD2 3.89Å; I221-L257 HydrophobicContact CG1-CD2 4Å; L228-L257 HydrophobicContact CD1-CD1 3.54Å; L246-L257 HydrophobicContact CD2-CB 4.21Å; L246-L257 HydrophobicContact CD2-CD2 3.84Å; L246-L257 HydrophobicContact CD2-CG 3.92Å; P247-L257 VanDerWaalsContact CD-CD2 3.46Å; P247-L257 HydrophobicContact CG-CD2 3.63Å; S253-L257 VanDerWaalsContact O-CB 3.3Å; S253-L257 WeakPolarHBondContact O-CB 3.4Å; S253-L257 PolarHBondContact O-N 3.33Å; C254-L257 PolarHBondContact O-N 2.92Å; L257-T259 VanDerWaalsContact C-N 3.28Å; L257-T259 PolarHBondContact O-N 2.95Å; L257-A260 PolarHBondContact O-N 3.29Å; L257-L261 HydrophobicContact CD1-CD1 4.33Å; L257-L261 HydrophobicContact CD1-CG 4.14Å; L257-L261 HydrophobicContact CG-CD1 4.13Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 3.39Å
258L95Very high92.7Very high51 Ų5158.2 Ų58.227%0.26730%0.304SS..Hα-helixtrans-60.5-41.3177.1-176.659.9000111.2P242 L246 C254 E255 L261 N262P242-L258 HydrophobicContact CB-CD1 3.82Å; L246-L258 HydrophobicContact CD1-CB 4.3Å; L246-L258 HydrophobicContact CD1-CD1 4.2Å; L246-L258 HydrophobicContact CD1-CD2 4.47Å; L246-L258 HydrophobicContact CD2-CB 4.21Å; C254-L258 VanDerWaalsContact O-CB 3.29Å; C254-L258 WeakPolarHBondContact O-CB 3.32Å; C254-L258 PolarHBondContact O-N 3.45Å; E255-L258 PolarHBondContact O-N 3.48Å; L258-L261 PolarHBondContact O-N 3.4Å; L258-N262 WeakPolarHBondContact O-CB 3.4Å; L258-N262 VanDerWaalsContact O-CG 3.28Å; L258-N262 PolarHBondContact O-N 3.28Å; L258-N262 PolarHBondContact O-ND2 3.37Å
259T95.3Very high93Very high70 Ų7057.2 Ų57.243%0.42930%0.297SS..Hα-helixtrans-61.6-46175-55.40000111.1E255 R256 L257 L261 N262 Q263E255-T259 PolarHBondContact O-N 2.84Å; E255-T259 PolarHBondContact O-OG1 3.16Å; R256-T259 WeakPolarHBondContact O-CB 3.2Å; R256-T259 PolarHBondContact O-N 3.23Å; L257-T259 VanDerWaalsContact C-N 3.28Å; L257-T259 PolarHBondContact O-N 2.95Å; T259-L261 PolarHBondContact O-N 2.88Å; T259-N262 PolarHBondContact O-N 2.8Å; T259-Q263 WeakPolarHBondContact O-CG 3.47Å; T259-Q263 PolarHBondContact O-N 3.18Å; T259-Q263 VanDerWaalsContact O-N 3.16Å
260A95.1Very high92.9Very high0 Ų060 Ų600%032%0.322CS..Hα-helixtrans-62.5-41.5176.800000112.3T225 L228 L229 R256 L257 Q263 T264T225-A260 HydrophobicContact CG2-CB 3.81Å; L228-A260 HydrophobicContact CB-CB 4.45Å; L229-A260 HydrophobicContact CD2-CB 3.7Å; L229-A260 HydrophobicContact CG-CB 3.85Å; R256-A260 PolarHBondContact O-N 3.39Å; L257-A260 PolarHBondContact O-N 3.29Å; A260-Q263 PolarHBondContact O-N 2.99Å; A260-T264 WeakPolarHBondContact O-CB 3.19Å; A260-T264 WeakPolarHBondContact O-CG2 3.49Å; A260-T264 PolarHBondContact O-N 2.68Å; A260-T264 PolarHBondContact O-OG1 2.8Å
261L95.1Very high92.8Very high1 Ų159 Ų591%0.00532%0.319CS..Hα-helixtrans-68.4-34.5177.7-68.2177.6000112.6L228 L235 P242 L246 L257 L258 T259 Q263 G265 V266L228-L261 HydrophobicContact CD1-CD2 4.24Å; L235-L261 HydrophobicContact CB-CD2 3.77Å; L235-L261 HydrophobicContact CD2-CD1 3.85Å; L235-L261 HydrophobicContact CD2-CD2 3.7Å; L235-L261 HydrophobicContact CD2-CG 4.4Å; L235-L261 HydrophobicContact CG-CD2 4.39Å; P242-L261 HydrophobicContact CB-CB 3.91Å; P242-L261 HydrophobicContact CB-CD1 4.45Å; P242-L261 HydrophobicContact CG-CB 4.42Å; L246-L261 HydrophobicContact CD2-CD1 4.38Å; L257-L261 HydrophobicContact CD1-CD1 4.33Å; L257-L261 HydrophobicContact CD1-CG 4.14Å; L257-L261 HydrophobicContact CG-CD1 4.13Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 3.39Å; L258-L261 PolarHBondContact O-N 3.4Å; T259-L261 PolarHBondContact O-N 2.88Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.46Å; L261-G265 VanDerWaalsContact O-CA 3.25Å; L261-G265 WeakPolarHBondContact O-CA 3.29Å; L261-G265 PolarHBondContact O-N 3.29Å; L261-V266 HydrophobicContact CD1-CG2 4.44Å; L261-V266 HydrophobicContact CD2-CG2 4.1Å
262N94.2Very high92.5Very high108 Ų10855.9 Ų55.958%0.57830%0.3SS*.Hα-helixtrans-66.1-31.1173.4-75.3-21.4000112.1L258 T259L258-N262 WeakPolarHBondContact O-CB 3.4Å; L258-N262 VanDerWaalsContact O-CG 3.28Å; L258-N262 PolarHBondContact O-N 3.28Å; L258-N262 PolarHBondContact O-ND2 3.37Å; T259-N262 PolarHBondContact O-N 2.8Å
263Q93.7Very high92.3Very high137 Ų13751.8 Ų51.864%0.6429%0.285SS*.Hα-helixtrans-81.3-41.9177.5-69.4176.1-1.900112.9L229 T259 A260 L261L229-Q263 VanDerWaalsContact CD2-OE1 3.27Å; T259-Q263 WeakPolarHBondContact O-CG 3.47Å; T259-Q263 PolarHBondContact O-N 3.18Å; T259-Q263 VanDerWaalsContact O-N 3.16Å; A260-Q263 PolarHBondContact O-N 2.99Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.46Å
264T92.3Very high92.1Very high13 Ų1352.2 Ų52.28%0.0829%0.288CS..Hα-helixtrans-95.2-21.9-170.857.90000113.5L228 R234 A260L228-T264 VanDerWaalsContact O-CG2 3.25Å; L228-T264 WeakPolarHBondContact O-CG2 3.22Å; R234-T264 PolarHBondContact NH2-O 2.77Å; A260-T264 WeakPolarHBondContact O-CB 3.19Å; A260-T264 WeakPolarHBondContact O-CG2 3.49Å; A260-T264 PolarHBondContact O-N 2.68Å; A260-T264 PolarHBondContact O-OG1 2.8Å
265G91.5Very high92.1Very high27 Ų2755.1 Ų55.128%0.27830%0.302SS..  trans75.2155.1-172.600000113.3L261L261-G265 VanDerWaalsContact O-CA 3.25Å; L261-G265 WeakPolarHBondContact O-CA 3.29Å; L261-G265 PolarHBondContact O-N 3.29Å
266V93.2Very high92Very high22 Ų2251.2 Ų51.213%0.13329%0.285CS..  trans-91.8136.5171.8178.20000109.1L235 H237 P242 V245 L261 F268L235-V266 WeakPolarHBondContact O-CG1 2.88Å; H237-V266 HydrophobicContact CB-CG1 3.84Å; P242-V266 HydrophobicContact CG-CG2 4.32Å; V245-V266 HydrophobicContact CB-CG2 4.33Å; V245-V266 HydrophobicContact CG1-CG1 4.14Å; V245-V266 HydrophobicContact CG1-CG2 4.14Å; V245-V266 HydrophobicContact CG2-CG1 4.13Å; V245-V266 HydrophobicContact CG2-CG2 4.22Å; L261-V266 HydrophobicContact CD1-CG2 4.44Å; L261-V266 HydrophobicContact CD2-CG2 4.1Å; V266-F268 PolarHBondContact O-N 2.8Å
267Y94.6Very high91.9Very high61 Ų6147.3 Ų47.324%0.23927%0.27CS..EExtended strand (participates in β ladder)trans-76.4104.5170.6-170.2-89.5000109.5L235 M236 H237 V269 Q284 L287L235-Y267 PolarHBondContact O-N 2.85Å; M236-Y267 WeakPolarHBondContact CA-O 3.32Å; M236-Y267 HydrophobicContact CG-CD1 4.07Å; H237-Y267 PolarHBondContact N-O 3.21Å; Y267-V269 HydrophobicContact CD1-CG2 3.87Å; Y267-V269 HydrophobicContact CE1-CG2 3.84Å; Y267-Q284 PolarHBondContact OH-NE2 3.3Å; Y267-L287 HydrophobicContact CD1-CD1 3.95Å; Y267-L287 HydrophobicContact CD1-CD2 4.12Å; Y267-L287 HydrophobicContact CD2-CD2 4.11Å; Y267-L287 HydrophobicContact CE1-CD1 4.02Å; Y267-L287 HydrophobicContact CG-CD1 4.37Å; Y267-L287 HydrophobicContact CG-CD2 3.73Å
268F93Very high91.9Very high94 Ų9447.3 Ų47.341%0.41227%0.27SS..EExtended strand (participates in β ladder)trans-82.4126.6-176.3171.9-106.8000111.8H237 Y238 Q240 V266 A270H237-F268 WeakPolarHBondContact O-CA 3.42Å; Y238-F268 VanDerWaalsContact O-CE2 3.28Å; Y238-F268 WeakPolarHBondContact O-CE2 3.43Å; Q240-F268 HydrophobicContact CB-CD2 4.06Å; Q240-F268 HydrophobicContact CB-CG 4.4Å; V266-F268 PolarHBondContact O-N 2.8Å; F268-A270 HydrophobicContact CE1-CB 3.82Å; F268-A270 HydrophobicContact CZ-CB 4.06Å
269V90.9Very high91.9Very high6 Ų648.6 Ų48.64%0.03628%0.277CS..  trans-113.6114.3172.2-175.30000109.6M236 H237 Y238 Y267 N271 N276 L277 E280M236-V269 HydrophobicContact CG-CG2 3.65Å; M236-V269 HydrophobicContact SD-CG2 3.69Å; H237-V269 PolarHBondContact O-N 3.29Å; Y238-V269 WeakPolarHBondContact CA-O 3.07Å; Y238-V269 WeakPolarHBondContact CB-O 3.27Å; Y267-V269 HydrophobicContact CD1-CG2 3.87Å; Y267-V269 HydrophobicContact CE1-CG2 3.84Å; V269-N271 VanDerWaalsContact C-N 3.34Å; V269-N271 WeakPolarHBondContact CG1-O 3.05Å; V269-N271 PolarHBondContact O-N 3.46Å; V269-N276 WeakPolarHBondContact CG1-ND2 3.36Å; V269-L277 HydrophobicContact CB-CD2 3.92Å; V269-L277 HydrophobicContact CG1-CD2 3.95Å; V269-L277 HydrophobicContact CG2-CD2 4.26Å; V269-E280 HydrophobicContact CG1-CG 4.25Å; V269-E280 HydrophobicContact CG2-CG 4.29Å
270A86.1Confident91.9Very high86 Ų8647.8 Ų47.871%0.71127%0.268SS*.SBendtrans-64.4-36.9-175.600000113.3F268F268-A270 HydrophobicContact CE1-CB 3.82Å; F268-A270 HydrophobicContact CZ-CB 4.06Å
271N85.9Confident91.9Very high80 Ų8047.8 Ų47.843%0.42827%0.268SS..  trans-93.4109.6179-177.8-7.7000110.5V269 S273 N276V269-N271 VanDerWaalsContact C-N 3.34Å; V269-N271 WeakPolarHBondContact CG1-O 3.05Å; V269-N271 PolarHBondContact O-N 3.46Å; N271-S273 PolarHBondContact ND2-OG 2.91Å; N271-S273 PolarHBondContact O-N 2.92Å; N271-S273 WeakPolarHBondContact OD1-CB 3.45Å; N271-S273 PolarHBondContact OD1-N 3.5Å; N271-S273 PolarHBondContact OD1-OG 3.03Å; N271-N276 HydrophobicContact CB-CB 4.25Å
272S84.3Confident91.8Very high49 Ų4948.2 Ų48.234%0.34327%0.271SS..  trans-77.72.9-179.859.80000114.6
273S87.2Confident91.8Very high41 Ų4146.4 Ų46.429%0.28727%0.271SS..  trans-61.6138177.566.30000111.1N271 N275 N276 L277N271-S273 PolarHBondContact ND2-OG 2.91Å; N271-S273 PolarHBondContact O-N 2.92Å; N271-S273 WeakPolarHBondContact OD1-CB 3.45Å; N271-S273 PolarHBondContact OD1-N 3.5Å; N271-S273 PolarHBondContact OD1-OG 3.03Å; S273-N275 VanDerWaalsContact C-N 3.3Å; S273-N275 PolarHBondContact O-N 3.32Å; S273-N276 PolarHBondContact O-N 3.38Å; S273-N276 VanDerWaalsContact O-N 3.11Å; S273-N276 VanDerWaalsContact OG-CB 3.31Å; S273-N276 WeakPolarHBondContact OG-CB 3.3Å; S273-L277 PolarHBondContact O-N 3.05Å; S273-L277 VanDerWaalsContact O-N 3.14Å
274P89.8Confident91.8Very high13 Ų1342.5 Ų42.58%0.08425%0.252CS..Hα-helixtrans-52.9-44.8-178.7-29.635.4000113.5S13 F14 N276 L277 L278 Y299S13-P274 VanDerWaalsContact OG-CG 3.3Å; S13-P274 WeakPolarHBondContact OG-CG 3.35Å; F14-P274 HydrophobicContact CE2-CG 3.91Å; F14-P274 HydrophobicContact CZ-CG 4.04Å; P274-N276 VanDerWaalsContact C-N 3.32Å; P274-N276 PolarHBondContact O-N 3.15Å; P274-L277 PolarHBondContact O-N 2.9Å; P274-L278 WeakPolarHBondContact O-CB 3.41Å; P274-L278 VanDerWaalsContact O-CG 3.26Å; P274-L278 WeakPolarHBondContact O-CG 3.45Å; P274-L278 PolarHBondContact O-N 3.23Å; P274-Y299 HydrophobicContact CB-CD1 3.84Å; P274-Y299 HydrophobicContact CB-CD2 4.14Å; P274-Y299 HydrophobicContact CB-CE1 4.29Å; P274-Y299 HydrophobicContact CB-CG 3.75Å; P274-Y299 HydrophobicContact CG-CD1 3.78Å; P274-Y299 HydrophobicContact CG-CE1 3.83Å; P274-Y299 HydrophobicContact CG-CG 4.2Å
275N91.9Very high91.7Very high89 Ų8946.3 Ų46.348%0.47627%0.272SS..Hα-helixtrans-62-38.8-179.1-72.6-24.9000112.6S273 N279S273-N275 VanDerWaalsContact C-N 3.3Å; S273-N275 PolarHBondContact O-N 3.32Å; N275-N279 WeakPolarHBondContact O-CB 3.25Å; N275-N279 PolarHBondContact O-N 2.83Å; N275-N279 PolarHBondContact O-ND2 2.81Å
276N91.8Very high91.8Very high43 Ų4347.5 Ų47.523%0.2327%0.273CS..Hα-helixtrans-68.6-45.1178.4-166.273.2000111.2V269 N271 S273 P274 L278 N279 E280V269-N276 WeakPolarHBondContact CG1-ND2 3.36Å; N271-N276 HydrophobicContact CB-CB 4.25Å; S273-N276 PolarHBondContact O-N 3.38Å; S273-N276 VanDerWaalsContact O-N 3.11Å; S273-N276 VanDerWaalsContact OG-CB 3.31Å; S273-N276 WeakPolarHBondContact OG-CB 3.3Å; P274-N276 VanDerWaalsContact C-N 3.32Å; P274-N276 PolarHBondContact O-N 3.15Å; N276-L278 VanDerWaalsContact C-N 3.3Å; N276-L278 PolarHBondContact O-N 3.28Å; N276-N279 PolarHBondContact O-N 3.47Å; N276-E280 WeakPolarHBondContact O-CG 3.29Å; N276-E280 PolarHBondContact O-N 3.04Å
277L93.2Very high91.9Very high2 Ų246.5 Ų46.51%0.0127%0.266CS..Hα-helixtrans-58.3-43.1175.9-65.6171.2000111.7M236 V269 S273 P274 E280 L281 Y299M236-L277 HydrophobicContact CE-CB 3.99Å; M236-L277 HydrophobicContact CE-CD2 3.97Å; M236-L277 WeakPolarHBondContact CE-O 3.41Å; M236-L277 HydrophobicContact SD-CD2 4.45Å; V269-L277 HydrophobicContact CB-CD2 3.92Å; V269-L277 HydrophobicContact CG1-CD2 3.95Å; V269-L277 HydrophobicContact CG2-CD2 4.26Å; S273-L277 PolarHBondContact O-N 3.05Å; S273-L277 VanDerWaalsContact O-N 3.14Å; P274-L277 PolarHBondContact O-N 2.9Å; L277-E280 PolarHBondContact O-N 3.16Å; L277-L281 WeakPolarHBondContact O-CG 3.34Å; L277-L281 PolarHBondContact O-N 3.43Å; L277-L281 VanDerWaalsContact O-N 3.08Å; L277-Y299 HydrophobicContact CD1-CE2 4.07Å
278L95.2Very high92Very high0 Ų043.6 Ų43.60%026%0.255CS..Hα-helixtrans-67.5-38.9177.7-67.1178.2000112.3L110 P274 N276 L281 L282 Y299 L300 F303 F309L110-L278 HydrophobicContact CD2-CD2 3.48Å; L110-L278 VanDerWaalsContact CD2-CD2 3.48Å; P274-L278 WeakPolarHBondContact O-CB 3.41Å; P274-L278 VanDerWaalsContact O-CG 3.26Å; P274-L278 WeakPolarHBondContact O-CG 3.45Å; P274-L278 PolarHBondContact O-N 3.23Å; N276-L278 VanDerWaalsContact C-N 3.3Å; N276-L278 PolarHBondContact O-N 3.28Å; L278-L281 HydrophobicContact CD2-CD1 4.29Å; L278-L281 PolarHBondContact O-N 2.96Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 3.22Å; L278-L282 VanDerWaalsContact O-N 3.15Å; L278-Y299 WeakPolarHBondContact CD1-O 3.37Å; L278-L300 HydrophobicContact CD1-CD2 4.07Å; L278-L300 HydrophobicContact CD2-CD2 3.84Å; L278-F303 HydrophobicContact CB-CD1 4.47Å; L278-F303 HydrophobicContact CB-CD2 3.99Å; L278-F303 HydrophobicContact CB-CE1 4.24Å; L278-F303 HydrophobicContact CB-CE2 3.75Å; L278-F303 HydrophobicContact CB-CG 4.34Å; L278-F303 HydrophobicContact CB-CZ 3.89Å; L278-F303 HydrophobicContact CD1-CB 3.65Å; L278-F303 HydrophobicContact CD1-CD1 4.1Å; L278-F303 HydrophobicContact CD1-CD2 3.63Å; L278-F303 HydrophobicContact CD1-CE2 4.28Å; L278-F303 HydrophobicContact CD1-CG 3.52Å; L278-F303 HydrophobicContact CG-CD2 4.48Å; L278-F309 HydrophobicContact CB-CE2 4.44Å; L278-F309 HydrophobicContact CB-CZ 3.89Å; L278-F309 HydrophobicContact CD2-CE1 4.23Å; L278-F309 HydrophobicContact CD2-CE2 4.17Å; L278-F309 HydrophobicContact CD2-CZ 3.87Å; L278-F309 HydrophobicContact CG-CZ 4.41Å; L278-F309 WeakPolarHBondContact O-CZ 3.35Å
279N95.2Very high92.1Very high78 Ų7839.4 Ų39.442%0.41724%0.237SC..Hα-helixtrans-65.4-40.9175.8-74.4-26.2000112.2N275 N276 L282 A283 F303N275-N279 WeakPolarHBondContact O-CB 3.25Å; N275-N279 PolarHBondContact O-N 2.83Å; N275-N279 PolarHBondContact O-ND2 2.81Å; N276-N279 PolarHBondContact O-N 3.47Å; N279-L282 PolarHBondContact O-N 2.78Å; N279-L282 VanDerWaalsContact O-N 3.15Å; N279-A283 PolarHBondContact O-N 2.85Å; N279-F303 WeakPolarHBondContact OD1-CE2 3.41Å; N279-F303 WeakPolarHBondContact OD1-CZ 3.36Å
280E95Very high92.3Very high53 Ų5339.8 Ų39.825%0.24824%0.239CC..Hα-helixtrans-63-41.9175.6-70.9-61.4159.300111.8M236 V269 N276 L277 L282 A283 Q284M236-E280 HydrophobicContact SD-CB 3.94Å; V269-E280 HydrophobicContact CG1-CG 4.25Å; V269-E280 HydrophobicContact CG2-CG 4.29Å; N276-E280 WeakPolarHBondContact O-CG 3.29Å; N276-E280 PolarHBondContact O-N 3.04Å; L277-E280 PolarHBondContact O-N 3.16Å; E280-L282 PolarHBondContact O-N 3.18Å; E280-A283 WeakPolarHBondContact O-CB 3.44Å; E280-A283 PolarHBondContact O-N 2.84Å; E280-Q284 PolarHBondContact O-N 3.44Å
281L95Very high92.5Very high0 Ų037.9 Ų37.90%022%0.215CC..Hα-helixtrans-60-32173.2-77.8164.7000113L110 M236 L277 L278 Q284 L287 L289 F309L110-L281 HydrophobicContact CD2-CD1 3.97Å; L110-L281 HydrophobicContact CG-CD1 4.29Å; M236-L281 HydrophobicContact CE-CD1 3.78Å; M236-L281 HydrophobicContact CE-CD2 3.95Å; M236-L281 HydrophobicContact CE-CG 3.49Å; M236-L281 VanDerWaalsContact CE-CG 3.49Å; M236-L281 HydrophobicContact SD-CD2 4.48Å; M236-L281 HydrophobicContact SD-CG 4.18Å; L277-L281 WeakPolarHBondContact O-CG 3.34Å; L277-L281 PolarHBondContact O-N 3.43Å; L277-L281 VanDerWaalsContact O-N 3.08Å; L278-L281 HydrophobicContact CD2-CD1 4.29Å; L278-L281 PolarHBondContact O-N 2.96Å; L281-Q284 VanDerWaalsContact O-O 3.13Å; L281-L287 HydrophobicContact CD2-CB 3.8Å; L281-L287 WeakPolarHBondContact CD2-O 3.18Å; L281-L289 HydrophobicContact CD1-CB 3.84Å; L281-L289 HydrophobicContact CD1-CD2 4.12Å; L281-L289 HydrophobicContact CD2-CB 4.24Å; L281-F309 HydrophobicContact CB-CE1 3.75Å; L281-F309 HydrophobicContact CD1-CE1 4.28Å
282L94.1Very high92.7Very high11 Ų1134.2 Ų34.26%0.05820%0.196CC..Hα-helixtrans-81.1-21.4175.6-69.1177.4000113.2R112 L278 N279 E280 F303 R305 E308 F309R112-L282 HydrophobicContact CG-CD2 4.05Å; R112-L282 PolarHBondContact NH1-O 3.2Å; L278-L282 WeakPolarHBondContact O-CG 3.22Å; L278-L282 PolarHBondContact O-N 3.22Å; L278-L282 VanDerWaalsContact O-N 3.15Å; N279-L282 PolarHBondContact O-N 2.78Å; N279-L282 VanDerWaalsContact O-N 3.15Å; E280-L282 PolarHBondContact O-N 3.18Å; L282-F303 HydrophobicContact CD1-CE1 3.74Å; L282-F303 HydrophobicContact CD1-CZ 3.89Å; L282-R305 HydrophobicContact CD1-CB 4.29Å; L282-E308 HydrophobicContact CD2-CB 3.85Å; L282-F309 HydrophobicContact CD1-CE2 4.23Å; L282-F309 HydrophobicContact CD1-CZ 3.81Å; L282-F309 HydrophobicContact CD2-CD1 4.35Å; L282-F309 HydrophobicContact CD2-CE1 3.74Å; L282-F309 HydrophobicContact CD2-CE2 4.27Å; L282-F309 HydrophobicContact CD2-CZ 3.71Å; L282-F309 HydrophobicContact CG-CE1 3.81Å; L282-F309 HydrophobicContact CG-CE2 4.29Å; L282-F309 HydrophobicContact CG-CZ 3.48Å; L282-F309 VanDerWaalsContact CG-CZ 3.48Å
283A94Very high93Very high70 Ų7034.5 Ų34.558%0.57919%0.191SC*.Hα-helixtrans-76.6-29.8178.300000112.1N279 E280N279-A283 PolarHBondContact O-N 2.85Å; E280-A283 WeakPolarHBondContact O-CB 3.44Å; E280-A283 PolarHBondContact O-N 2.84Å
284Q92.8Very high93.1Very high54 Ų5433.8 Ų33.825%0.25218%0.183SC..  trans-131.6120.8-175.9-71.9174.758.200112.1Y267 E280 L281 N286 L287Y267-Q284 PolarHBondContact OH-NE2 3.3Å; E280-Q284 PolarHBondContact O-N 3.44Å; L281-Q284 VanDerWaalsContact O-O 3.13Å; Q284-N286 PolarHBondContact O-N 3.04Å; Q284-L287 HydrophobicContact CB-CD1 3.73Å; Q284-L287 HydrophobicContact CB-CG 3.66Å; Q284-L287 HydrophobicContact CG-CD1 4.34Å; Q284-L287 PolarHBondContact O-N 3.03Å
285D90.8Very high93.1Very high93 Ų9334.3 Ų34.350%0.49718%0.184SC..THydrogen-bonded Turntrans-71.3-16.6-174-62.3-8.9000113.8R112R112-D285 WeakPolarHBondContact CD-OD1 3.26Å; R112-D285 IonicContact CZ-OD1 2.79Å; R112-D285 IonicContact NE-OD1 2.86Å; R112-D285 IonicContact NH1-OD1 3.82Å; R112-D285 PolarHBondContact NH1-OD1 3.3Å
286N94Very high93.1Very high53 Ų5330.1 Ų30.128%0.28316%0.161SC..THydrogen-bonded Turntrans-97.15.3-177.767.7-22.6000113.5N232 Y233 R234 Q284N232-N286 WeakPolarHBondContact O-CB 3.32Å; Y233-N286 CarbonylContact C-O 3.59Å; Y233-N286 WeakPolarHBondContact CA-O 3.3Å; R234-N286 PolarHBondContact N-O 3.47Å; Q284-N286 PolarHBondContact O-N 3.04Å
287L96.2Very high93.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-87.9140.3179.7-65.3-175.2000112.1R234 M236 Y267 L281 Q284R234-L287 HydrophobicContact CB-CD2 4.15Å; M236-L287 HydrophobicContact SD-CD1 4.16Å; Y267-L287 HydrophobicContact CD1-CD1 3.95Å; Y267-L287 HydrophobicContact CD1-CD2 4.12Å; Y267-L287 HydrophobicContact CD2-CD2 4.11Å; Y267-L287 HydrophobicContact CE1-CD1 4.02Å; Y267-L287 HydrophobicContact CG-CD1 4.37Å; Y267-L287 HydrophobicContact CG-CD2 3.73Å; L281-L287 HydrophobicContact CD2-CB 3.8Å; L281-L287 WeakPolarHBondContact CD2-O 3.18Å; Q284-L287 HydrophobicContact CB-CD1 3.73Å; Q284-L287 HydrophobicContact CB-CG 3.66Å; Q284-L287 HydrophobicContact CG-CD1 4.34Å; Q284-L287 PolarHBondContact O-N 3.03Å
288V96.3Very high92.9Very high0 Ų028.9 Ų28.90%016%0.155CC..EExtended strand (participates in β ladder)trans-127.2129.1175.9-175.60000109.4F218 L224 Y233 R234 M236 V290F218-V288 HydrophobicContact CE1-CG2 4.11Å; F218-V288 HydrophobicContact CE2-CG1 4.23Å; F218-V288 HydrophobicContact CZ-CB 4.43Å; F218-V288 HydrophobicContact CZ-CG1 3.82Å; F218-V288 HydrophobicContact CZ-CG2 3.7Å; L224-V288 HydrophobicContact CD1-CG1 4.38Å; L224-V288 HydrophobicContact CD1-CG2 4.39Å; Y233-V288 HydrophobicContact CD1-CG2 3.49Å; Y233-V288 VanDerWaalsContact CD1-CG2 3.49Å; Y233-V288 HydrophobicContact CE1-CG2 4.33Å; Y233-V288 HydrophobicContact CG-CG2 3.98Å; R234-V288 PolarHBondContact O-N 3.41Å; M236-V288 PolarHBondContact N-O 2.85Å; V288-V290 HydrophobicContact CG1-CG2 4.27Å
289L95.5Very high92.7Very high7 Ų729.3 Ų29.34%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-104.4124.1170.6179.263.8000109.9Y109 L110 M236 L281 L296 Y299Y109-L289 WeakPolarHBondContact CA-O 3.15Å; L110-L289 HydrophobicContact CB-CB 4.31Å; L110-L289 PolarHBondContact N-O 2.88Å; L110-L289 PolarHBondContact O-N 3.18Å; M236-L289 HydrophobicContact CE-CB 3.94Å; M236-L289 HydrophobicContact CE-CD1 4.03Å; M236-L289 HydrophobicContact CE-CD2 4.2Å; M236-L289 HydrophobicContact CE-CG 4.28Å; L281-L289 HydrophobicContact CD1-CB 3.84Å; L281-L289 HydrophobicContact CD1-CD2 4.12Å; L281-L289 HydrophobicContact CD2-CB 4.24Å; L289-L296 HydrophobicContact CD2-CD2 3.65Å; L289-L296 HydrophobicContact CG-CD2 3.95Å; L289-Y299 HydrophobicContact CD2-CD2 4.42Å; L289-Y299 HydrophobicContact CD2-CE2 4.4Å
290V94.3Very high92.5Very high14 Ų1425.6 Ų25.69%0.08514%0.136CC..EExtended strand (participates in β ladder)trans-106.2123.7178.6-172.80000109.1Q107 Y109 L224 L235 P247 V288Q107-V290 HydrophobicContact CG-CG1 3.9Å; Y109-V290 HydrophobicContact CD1-CB 4.37Å; Y109-V290 HydrophobicContact CD1-CG1 3.95Å; Y109-V290 HydrophobicContact CD1-CG2 3.83Å; Y109-V290 HydrophobicContact CE1-CG1 3.99Å; Y109-V290 HydrophobicContact CE1-CG2 4.25Å; L224-V290 HydrophobicContact CD2-CG2 3.98Å; L235-V290 HydrophobicContact CD1-CB 4.17Å; L235-V290 HydrophobicContact CD1-CG2 3.31Å; P247-V290 HydrophobicContact CB-CB 4.45Å; P247-V290 HydrophobicContact CB-CG1 3.61Å; P247-V290 HydrophobicContact CG-CG1 4.17Å; V288-V290 HydrophobicContact CG1-CG2 4.27Å
291K90.8Very high92.2Very high45 Ų4525.2 Ų25.220%0.19613%0.134CC..EExtended strand (participates in β ladder)trans-158.8177.8174.3-139.2-177.1178.8-152.80111.3A108 K293 F295 L296 Y299A108-K291 PolarHBondContact N-O 3.4Å; A108-K291 PolarHBondContact O-N 3.37Å; A108-K291 VanDerWaalsContact O-N 3.08Å; A108-K291 VanDerWaalsContact O-O 3.04Å; K291-K293 PolarHBondContact O-N 3.49Å; K291-F295 HydrophobicContact CD-CB 3.9Å; K291-L296 HydrophobicContact CB-CD1 4.22Å; K291-L296 HydrophobicContact CB-CD2 3.76Å; K291-L296 HydrophobicContact CB-CG 3.81Å; K291-Y299 HydrophobicContact CD-CE2 4.39Å; K291-Y299 PolarHBondContact NZ-OH 3.02Å
292G89.8Confident91.6Very high4 Ų430.6 Ų30.64%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-61.4134.6167.500000111.2E106 F294 F295 L296E106-G292 CarbonylContact O-C 3.57Å; E106-G292 WeakPolarHBondContact O-CA 3.32Å; G292-F294 VanDerWaalsContact C-N 3.27Å; G292-F294 PolarHBondContact O-N 2.92Å; G292-F295 WeakPolarHBondContact O-CB 3.23Å; G292-F295 PolarHBondContact O-N 3.02Å; G292-L296 PolarHBondContact O-N 3.29Å
293K91.2Very high91.4Very high54 Ų5430.9 Ų30.924%0.23516%0.164CC..Hα-helixtrans-53.3-43.5-176.1-175.7175.3-179.3167.20112.4E106 A108 K291 F295 L296 Q297 L311 S313E106-K293 HydrophobicContact CB-CB 4.49Å; E106-K293 HydrophobicContact CB-CD 4.48Å; E106-K293 WeakPolarHBondContact O-CB 3.26Å; E106-K293 PolarHBondContact O-N 3.29Å; E106-K293 IonicContact OE2-NZ 3.65Å; E106-K293 PolarHBondContact OE2-NZ 3.37Å; A108-K293 HydrophobicContact CB-CB 3.89Å; A108-K293 HydrophobicContact CB-CG 4.25Å; K291-K293 PolarHBondContact O-N 3.49Å; K293-F295 VanDerWaalsContact C-N 3.35Å; K293-F295 PolarHBondContact O-N 3.31Å; K293-L296 PolarHBondContact O-N 2.84Å; K293-Q297 WeakPolarHBondContact O-CG 3.34Å; K293-Q297 PolarHBondContact O-N 3.49Å; K293-L311 HydrophobicContact CG-CD2 4.13Å; K293-S313 PolarHBondContact NZ-OG 2.87Å
294F89Confident91.3Very high27 Ų2737.1 Ų37.112%0.11818%0.178CC..Hα-helixtrans-58.3-45.9177-179.6-93000111.8L31 M103 Q105 G292 Q297 T298 I355L31-F294 HydrophobicContact CD2-CE1 4.12Å; L31-F294 HydrophobicContact CD2-CZ 3.67Å; M103-F294 HydrophobicContact CE-CD1 4.24Å; M103-F294 HydrophobicContact CE-CE1 3.95Å; M103-F294 HydrophobicContact CE-CZ 4.42Å; M103-F294 HydrophobicContact SD-CD1 3.92Å; M103-F294 HydrophobicContact SD-CD2 4.1Å; M103-F294 HydrophobicContact SD-CE1 3.76Å; M103-F294 HydrophobicContact SD-CE2 3.94Å; M103-F294 HydrophobicContact SD-CG 4.11Å; M103-F294 HydrophobicContact SD-CZ 3.78Å; Q105-F294 HydrophobicContact CB-CB 4.31Å; G292-F294 VanDerWaalsContact C-N 3.27Å; G292-F294 PolarHBondContact O-N 2.92Å; F294-Q297 PolarHBondContact O-N 3.16Å; F294-T298 WeakPolarHBondContact O-CB 3.21Å; F294-T298 PolarHBondContact O-N 3.06Å; F294-T298 PolarHBondContact O-OG1 3.24Å; F294-I355 HydrophobicContact CD2-CD1 4.13Å; F294-I355 HydrophobicContact CD2-CG2 3.67Å; F294-I355 HydrophobicContact CE2-CD1 4.39Å; F294-I355 HydrophobicContact CE2-CG2 3.55Å; F294-I355 HydrophobicContact CG-CG2 4.44Å; F294-I355 HydrophobicContact CZ-CG2 4.25Å
295F88.6Confident91.2Very high24 Ų2439.9 Ų39.911%0.10519%0.186CC..Hα-helixtrans-66.2-40.9178.2-68.5-59.7000112.6W12 Q105 K291 G292 K293 Q297 T298 Y299W12-F295 AromaticContact CZ2-CD1 3.8Å; W12-F295 HydrophobicContact CZ2-CD1 3.8Å; W12-F295 HydrophobicContact CZ2-CE1 4.08Å; Q105-F295 VanDerWaalsContact NE2-CE2 3.27Å; K291-F295 HydrophobicContact CD-CB 3.9Å; G292-F295 WeakPolarHBondContact O-CB 3.23Å; G292-F295 PolarHBondContact O-N 3.02Å; K293-F295 VanDerWaalsContact C-N 3.35Å; K293-F295 PolarHBondContact O-N 3.31Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-T298 PolarHBondContact O-N 3.43Å; F295-Y299 WeakPolarHBondContact O-CD1 3.38Å; F295-Y299 PolarHBondContact O-N 2.93Å
296L91.9Very high91.2Very high0 Ų038 Ų380%017%0.172CC..Hα-helixtrans-62.4-42.5175.5-66.9172.6000111.1A108 L110 L289 K291 G292 K293 T298 Y299 L300 L311A108-L296 HydrophobicContact CB-CD1 3.97Å; A108-L296 WeakPolarHBondContact O-CD1 3.35Å; L110-L296 HydrophobicContact CB-CD1 4.1Å; L110-L296 HydrophobicContact CB-CD2 4.02Å; L110-L296 HydrophobicContact CD2-CD2 4.18Å; L289-L296 HydrophobicContact CD2-CD2 3.65Å; L289-L296 HydrophobicContact CG-CD2 3.95Å; K291-L296 HydrophobicContact CB-CD1 4.22Å; K291-L296 HydrophobicContact CB-CD2 3.76Å; K291-L296 HydrophobicContact CB-CG 3.81Å; G292-L296 PolarHBondContact O-N 3.29Å; K293-L296 PolarHBondContact O-N 2.84Å; L296-T298 VanDerWaalsContact C-N 3.32Å; L296-T298 PolarHBondContact O-N 3.27Å; L296-Y299 WeakPolarHBondContact O-CB 3.31Å; L296-Y299 PolarHBondContact O-N 3.38Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.46Å; L296-L300 PolarHBondContact O-N 2.91Å; L296-L300 VanDerWaalsContact O-N 3.15Å; L296-L311 HydrophobicContact CB-CD1 3.91Å; L296-L311 HydrophobicContact CD1-CD1 3.66Å; L296-L311 HydrophobicContact CG-CD1 4.43Å
297Q92.1Very high91Very high14 Ų1438.5 Ų38.57%0.06518%0.18CC..Hα-helixtrans-63.3-40.9174.7-71.3174.6-45.900111.6K293 F294 F295 Y299 L300 K301 L311 I355 V358K293-Q297 WeakPolarHBondContact O-CG 3.34Å; K293-Q297 PolarHBondContact O-N 3.49Å; F294-Q297 PolarHBondContact O-N 3.16Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-Y299 VanDerWaalsContact C-N 3.29Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Q297-L300 PolarHBondContact O-N 3.48Å; Q297-L300 VanDerWaalsContact O-N 3.08Å; Q297-K301 PolarHBondContact O-N 3.45Å; Q297-L311 HydrophobicContact CG-CD2 3.8Å; Q297-I355 HydrophobicContact CB-CB 4.03Å; Q297-I355 HydrophobicContact CB-CG2 3.72Å; Q297-V358 HydrophobicContact CB-CB 4.39Å; Q297-V358 HydrophobicContact CB-CG1 4.08Å; Q297-V358 HydrophobicContact CG-CG1 4.12Å; Q297-V358 WeakPolarHBondContact O-CG2 3.46Å
298T88.8Confident90.7Very high5 Ų541.3 Ų41.33%0.03119%0.193CC..Hα-helixtrans-62.1-38176.8-52.10000111.4F14 F294 F295 L296 L300 K301F14-T298 HydrophobicContact CB-CG2 4.5Å; F14-T298 HydrophobicContact CD1-CG2 3.6Å; F14-T298 HydrophobicContact CD2-CG2 3.69Å; F14-T298 HydrophobicContact CE1-CG2 3.63Å; F14-T298 HydrophobicContact CE2-CG2 3.73Å; F14-T298 HydrophobicContact CG-CG2 3.63Å; F14-T298 HydrophobicContact CZ-CG2 3.69Å; F14-T298 WeakPolarHBondContact CZ-O 3.28Å; F294-T298 WeakPolarHBondContact O-CB 3.21Å; F294-T298 PolarHBondContact O-N 3.06Å; F294-T298 PolarHBondContact O-OG1 3.24Å; F295-T298 PolarHBondContact O-N 3.43Å; L296-T298 VanDerWaalsContact C-N 3.32Å; L296-T298 PolarHBondContact O-N 3.27Å; T298-L300 VanDerWaalsContact C-N 3.28Å; T298-L300 PolarHBondContact O-N 3.37Å; T298-K301 WeakPolarHBondContact O-CB 3.49Å; T298-K301 PolarHBondContact O-N 3.04Å
299Y90.9Very high90.6Very high9 Ų941.3 Ų41.34%0.03519%0.193CC..Hα-helixtrans-61.2-39.3174-69.25.6000111.9W12 F14 P274 L277 L278 L289 K291 F295 L296 Q297 K301W12-Y299 AromaticContact CH2-CE1 3.58Å; W12-Y299 HydrophobicContact CH2-CE1 3.58Å; W12-Y299 AromaticContact CH2-CZ 3.87Å; W12-Y299 VanDerWaalsContact CH2-OH 3.28Å; W12-Y299 WeakPolarHBondContact CH2-OH 3.44Å; W12-Y299 AromaticContact CZ2-CE1 3.93Å; W12-Y299 HydrophobicContact CZ2-CE1 3.93Å; F14-Y299 AromaticContact CE2-CD1 3.58Å; F14-Y299 HydrophobicContact CE2-CD1 3.58Å; F14-Y299 AromaticContact CE2-CE1 3.85Å; F14-Y299 HydrophobicContact CE2-CE1 3.85Å; F14-Y299 HydrophobicContact CZ-CD1 4.03Å; P274-Y299 HydrophobicContact CB-CD1 3.84Å; P274-Y299 HydrophobicContact CB-CD2 4.14Å; P274-Y299 HydrophobicContact CB-CE1 4.29Å; P274-Y299 HydrophobicContact CB-CG 3.75Å; P274-Y299 HydrophobicContact CG-CD1 3.78Å; P274-Y299 HydrophobicContact CG-CE1 3.83Å; P274-Y299 HydrophobicContact CG-CG 4.2Å; L277-Y299 HydrophobicContact CD1-CE2 4.07Å; L278-Y299 WeakPolarHBondContact CD1-O 3.37Å; L289-Y299 HydrophobicContact CD2-CD2 4.42Å; L289-Y299 HydrophobicContact CD2-CE2 4.4Å; K291-Y299 HydrophobicContact CD-CE2 4.39Å; K291-Y299 PolarHBondContact NZ-OH 3.02Å; F295-Y299 WeakPolarHBondContact O-CD1 3.38Å; F295-Y299 PolarHBondContact O-N 2.93Å; L296-Y299 WeakPolarHBondContact O-CB 3.31Å; L296-Y299 PolarHBondContact O-N 3.38Å; Q297-Y299 VanDerWaalsContact C-N 3.29Å; Q297-Y299 PolarHBondContact O-N 3.28Å; Y299-K301 VanDerWaalsContact C-N 3.35Å
300L92Very high90.5Very high0 Ų041 Ų410%019%0.191CC..Hα-helixtrans-78-17.8-177-67.3165.4000113.4L110 L278 L296 Q297 T298 D302 F303 R306 F309 V358 V362L110-L300 HydrophobicContact CD1-CD1 3.81Å; L110-L300 HydrophobicContact CD2-CD1 4.33Å; L110-L300 HydrophobicContact CD2-CD2 4.34Å; L110-L300 HydrophobicContact CD2-CG 4.47Å; L278-L300 HydrophobicContact CD1-CD2 4.07Å; L278-L300 HydrophobicContact CD2-CD2 3.84Å; L296-L300 WeakPolarHBondContact O-CD1 3.37Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.46Å; L296-L300 PolarHBondContact O-N 2.91Å; L296-L300 VanDerWaalsContact O-N 3.15Å; Q297-L300 PolarHBondContact O-N 3.48Å; Q297-L300 VanDerWaalsContact O-N 3.08Å; T298-L300 VanDerWaalsContact C-N 3.28Å; T298-L300 PolarHBondContact O-N 3.37Å; L300-D302 PolarHBondContact O-N 3.23Å; L300-F303 PolarHBondContact O-N 3.47Å; L300-R306 HydrophobicContact CB-CB 4.21Å; L300-R306 HydrophobicContact CD2-CB 4.07Å; L300-R306 WeakPolarHBondContact O-CD 3.11Å; L300-F309 HydrophobicContact CD2-CB 4.45Å; L300-F309 HydrophobicContact CD2-CD2 3.4Å; L300-F309 HydrophobicContact CD2-CE2 3.76Å; L300-F309 HydrophobicContact CD2-CG 4.05Å; L300-V358 HydrophobicContact CB-CG1 3.74Å; L300-V358 HydrophobicContact CB-CG2 4.4Å; L300-V358 HydrophobicContact CD1-CG1 4.26Å; L300-V362 HydrophobicContact CB-CG2 4.46Å; L300-V362 HydrophobicContact CD1-CG1 4.14Å; L300-V362 HydrophobicContact CD1-CG2 3.94Å
301K87.6Confident90.5Very high46 Ų4640.6 Ų40.620%0.219%0.188CC..Hα-helixtrans-50.9-54.2-176.5-172.5-164.7-171.4179.80112.4Q297 T298 Y299 R306 K353 Y354 V358Q297-K301 PolarHBondContact O-N 3.45Å; T298-K301 WeakPolarHBondContact O-CB 3.49Å; T298-K301 PolarHBondContact O-N 3.04Å; Y299-K301 VanDerWaalsContact C-N 3.35Å; K301-R306 PolarHBondContact O-NH1 2.81Å; K301-K353 PolarHBondContact NZ-O 3.46Å; K301-Y354 VanDerWaalsContact CD-O 3.26Å; K301-Y354 WeakPolarHBondContact CD-O 3.4Å; K301-Y354 WeakPolarHBondContact CG-O 3.47Å; K301-V358 VanDerWaalsContact CA-CG2 3.44Å; K301-V358 HydrophobicContact CB-CG2 4.03Å
302D83.4Confident90.6Very high113 Ų11339 Ų3960%0.60418%0.182SC*.THydrogen-bonded Turntrans-94.51.2-174.5-58.6-32000112.5L300L300-D302 PolarHBondContact O-N 3.23Å
303F90.7Very high90.7Very high16 Ų1640.2 Ų40.27%0.0719%0.19CC..  trans-86.8116.8-178.3-162.6-101.4000111.1L278 N279 L282 L300 R305 R306 F309L278-F303 HydrophobicContact CB-CD1 4.47Å; L278-F303 HydrophobicContact CB-CD2 3.99Å; L278-F303 HydrophobicContact CB-CE1 4.24Å; L278-F303 HydrophobicContact CB-CE2 3.75Å; L278-F303 HydrophobicContact CB-CG 4.34Å; L278-F303 HydrophobicContact CB-CZ 3.89Å; L278-F303 HydrophobicContact CD1-CB 3.65Å; L278-F303 HydrophobicContact CD1-CD1 4.1Å; L278-F303 HydrophobicContact CD1-CD2 3.63Å; L278-F303 HydrophobicContact CD1-CE2 4.28Å; L278-F303 HydrophobicContact CD1-CG 3.52Å; L278-F303 HydrophobicContact CG-CD2 4.48Å; N279-F303 WeakPolarHBondContact OD1-CE2 3.41Å; N279-F303 WeakPolarHBondContact OD1-CZ 3.36Å; L282-F303 HydrophobicContact CD1-CE1 3.74Å; L282-F303 HydrophobicContact CD1-CZ 3.89Å; L300-F303 PolarHBondContact O-N 3.47Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 HydrophobicContact CD1-CB 4.2Å; F303-R305 HydrophobicContact CE1-CB 3.7Å; F303-R305 PolarHBondContact O-N 2.95Å; F303-R306 WeakPolarHBondContact O-CB 3.25Å; F303-R306 PolarHBondContact O-N 3.28Å; F303-F309 AromaticContact CD1-CE2 3.72Å; F303-F309 HydrophobicContact CD1-CE2 3.72Å; F303-F309 HydrophobicContact CD1-CZ 4.46Å; F303-F309 AromaticContact CE1-CE2 3.57Å; F303-F309 HydrophobicContact CE1-CE2 3.57Å; F303-F309 AromaticContact CE1-CZ 3.98Å; F303-F309 HydrophobicContact CE1-CZ 3.98Å
304K90.2Very high90.8Very high202 Ų20238 Ų3888%0.87818%0.181SC*.THydrogen-bonded Turntrans-61-37.8-174-67.9-176.3178.9-179.60113.5R306K304-R306 VanDerWaalsContact C-N 3.31Å; K304-R306 PolarHBondContact O-N 3.44Å
305R91.5Very high90.6Very high112 Ų11245.3 Ų45.342%0.42321%0.208SC..THydrogen-bonded Turntrans-93.730.1-176.8-67.1171.664.7-162.5-1.9113L282 F303 S307 E308L282-R305 HydrophobicContact CD1-CB 4.29Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 HydrophobicContact CD1-CB 4.2Å; F303-R305 HydrophobicContact CE1-CB 3.7Å; F303-R305 PolarHBondContact O-N 2.95Å; R305-S307 PolarHBondContact O-N 3.45Å; R305-E308 WeakPolarHBondContact CB-OE1 3.45Å; R305-E308 IonicContact CZ-OE1 3.48Å; R305-E308 IonicContact CZ-OE2 3.64Å; R305-E308 IonicContact NE-OE1 2.7Å; R305-E308 PolarHBondContact NE-OE1 3.06Å; R305-E308 IonicContact NE-OE2 3.44Å; R305-E308 IonicContact NH2-OE1 2.68Å; R305-E308 PolarHBondContact NH2-OE1 2.73Å; R305-E308 IonicContact NH2-OE2 2.66Å; R305-E308 PolarHBondContact NH2-OE2 3.03Å; R305-E308 PolarHBondContact O-N 3.5Å
306R91.1Very high90.4Very high52 Ų5247.1 Ų47.120%0.19622%0.216CC..G310 helixtrans-63.2-24.9-174.462.1-175.7171.4-106.6-8.6114.8L300 K301 F303 K304 E308 F309 L357 T361 V362L300-R306 HydrophobicContact CB-CB 4.21Å; L300-R306 HydrophobicContact CD2-CB 4.07Å; L300-R306 WeakPolarHBondContact O-CD 3.11Å; K301-R306 PolarHBondContact O-NH1 2.81Å; F303-R306 WeakPolarHBondContact O-CB 3.25Å; F303-R306 PolarHBondContact O-N 3.28Å; K304-R306 VanDerWaalsContact C-N 3.31Å; K304-R306 PolarHBondContact O-N 3.44Å; R306-E308 PolarHBondContact O-N 3.21Å; R306-F309 PolarHBondContact O-N 3.33Å; R306-L357 VanDerWaalsContact NH2-CD2 3.34Å; R306-T361 WeakPolarHBondContact CD-OG1 3.2Å; R306-T361 PolarHBondContact NE-OG1 3.49Å; R306-V362 HydrophobicContact CB-CG2 4.15Å; R306-V362 HydrophobicContact CG-CG2 4.43Å
307S88.9Confident89.8Confident65 Ų6548.1 Ų48.146%0.45522%0.222SC..G310 helixtrans-67.4-15.3177.1540000113.4R305 F309R305-S307 PolarHBondContact O-N 3.45Å; S307-F309 PolarHBondContact O-N 3.38Å
308E91.4Very high88.8Confident58 Ų5852.1 Ų52.127%0.27125%0.252SS..G310 helixtrans-84.78.4177.8-63.6179.8-126.500113.3L113 L282 R305 R306L113-E308 VanDerWaalsContact CB-O 3.31Å; L113-E308 WeakPolarHBondContact CB-O 3.39Å; L113-E308 PolarHBondContact N-O 2.9Å; L282-E308 HydrophobicContact CD2-CB 3.85Å; R305-E308 WeakPolarHBondContact CB-OE1 3.45Å; R305-E308 IonicContact CZ-OE1 3.48Å; R305-E308 IonicContact CZ-OE2 3.64Å; R305-E308 IonicContact NE-OE1 2.7Å; R305-E308 PolarHBondContact NE-OE1 3.06Å; R305-E308 IonicContact NE-OE2 3.44Å; R305-E308 IonicContact NH2-OE1 2.68Å; R305-E308 PolarHBondContact NH2-OE1 2.73Å; R305-E308 IonicContact NH2-OE2 2.66Å; R305-E308 PolarHBondContact NH2-OE2 3.03Å; R305-E308 PolarHBondContact O-N 3.5Å; R306-E308 PolarHBondContact O-N 3.21Å
309F93.8Very high88.5Confident0 Ų056.2 Ų56.20%027%0.272CS..EExtended strand (participates in β ladder)trans-112.3154.3176.9-62.2-78.4000112.7L110 L111 L278 L281 L282 L300 F303 R306 S307L110-F309 HydrophobicContact CD1-CB 3.71Å; L110-F309 HydrophobicContact CD1-CD1 4.39Å; L110-F309 HydrophobicContact CD1-CG 4.21Å; L110-F309 HydrophobicContact CD2-CD1 4.43Å; L110-F309 HydrophobicContact CG-CB 4.42Å; L110-F309 HydrophobicContact CG-CD1 4.19Å; L110-F309 HydrophobicContact CG-CG 4.47Å; L111-F309 WeakPolarHBondContact O-CA 3.22Å; L278-F309 HydrophobicContact CB-CE2 4.44Å; L278-F309 HydrophobicContact CB-CZ 3.89Å; L278-F309 HydrophobicContact CD2-CE1 4.23Å; L278-F309 HydrophobicContact CD2-CE2 4.17Å; L278-F309 HydrophobicContact CD2-CZ 3.87Å; L278-F309 HydrophobicContact CG-CZ 4.41Å; L278-F309 WeakPolarHBondContact O-CZ 3.35Å; L281-F309 HydrophobicContact CB-CE1 3.75Å; L281-F309 HydrophobicContact CD1-CE1 4.28Å; L282-F309 HydrophobicContact CD1-CE2 4.23Å; L282-F309 HydrophobicContact CD1-CZ 3.81Å; L282-F309 HydrophobicContact CD2-CD1 4.35Å; L282-F309 HydrophobicContact CD2-CE1 3.74Å; L282-F309 HydrophobicContact CD2-CE2 4.27Å; L282-F309 HydrophobicContact CD2-CZ 3.71Å; L282-F309 HydrophobicContact CG-CE1 3.81Å; L282-F309 HydrophobicContact CG-CE2 4.29Å; L282-F309 HydrophobicContact CG-CZ 3.48Å; L282-F309 VanDerWaalsContact CG-CZ 3.48Å; L300-F309 HydrophobicContact CD2-CB 4.45Å; L300-F309 HydrophobicContact CD2-CD2 3.4Å; L300-F309 HydrophobicContact CD2-CE2 3.76Å; L300-F309 HydrophobicContact CD2-CG 4.05Å; F303-F309 AromaticContact CD1-CE2 3.72Å; F303-F309 HydrophobicContact CD1-CE2 3.72Å; F303-F309 HydrophobicContact CD1-CZ 4.46Å; F303-F309 AromaticContact CE1-CE2 3.57Å; F303-F309 HydrophobicContact CE1-CE2 3.57Å; F303-F309 AromaticContact CE1-CZ 3.98Å; F303-F309 HydrophobicContact CE1-CZ 3.98Å; R306-F309 PolarHBondContact O-N 3.33Å; S307-F309 PolarHBondContact O-N 3.38Å
310W93.3Very high88.3Confident2 Ų257.4 Ų57.41%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-117.1121.4170.6-165.64.1000109.6L111 L113 P114 V214 P215 A216 I312 K365 V368L111-W310 HydrophobicContact CD1-CE3 4.08Å; L111-W310 HydrophobicContact CD2-CB 4.48Å; L111-W310 HydrophobicContact CG-CB 4.17Å; L111-W310 PolarHBondContact N-O 3.3Å; L111-W310 VanDerWaalsContact N-O 3.12Å; L111-W310 PolarHBondContact O-N 2.89Å; L113-W310 HydrophobicContact CD1-CB 3.92Å; L113-W310 HydrophobicContact CD1-CG 4.28Å; P114-W310 HydrophobicContact CG-CE3 4.29Å; P114-W310 HydrophobicContact CG-CZ3 4.09Å; V214-W310 WeakPolarHBondContact O-CH2 3.36Å; P215-W310 VanDerWaalsContact C-CH2 3.46Å; A216-W310 HydrophobicContact CB-CH2 4.04Å; A216-W310 HydrophobicContact CB-CZ2 3.91Å; A216-W310 VanDerWaalsContact N-CH2 3.26Å; W310-I312 HydrophobicContact CD2-CD1 4.1Å; W310-I312 HydrophobicContact CD2-CG1 4.17Å; W310-I312 HydrophobicContact CE3-CD1 4.39Å; W310-I312 HydrophobicContact CG-CD1 4.46Å; W310-I312 HydrophobicContact CG-CG1 4.13Å; W310-K365 PolarHBondContact NE1-O 3.04Å; W310-V368 HydrophobicContact CD2-CG2 3.65Å; W310-V368 HydrophobicContact CE3-CG2 4.14Å; W310-V368 HydrophobicContact CG-CG2 4.04Å; W310-V368 HydrophobicContact CH2-CB 4.38Å; W310-V368 HydrophobicContact CH2-CG2 4.01Å; W310-V368 HydrophobicContact CZ2-CB 4.36Å; W310-V368 HydrophobicContact CZ2-CG2 3.6Å; W310-V368 HydrophobicContact CZ3-CG2 4.3Å
311L94.2Very high88.3Confident4 Ų461.6 Ų61.62%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-104.3109.5178.7-177.968.7000109.9A108 Y109 L110 K293 L296 Q297 V362 H363 S364A108-L311 HydrophobicContact CB-CD1 3.84Å; A108-L311 HydrophobicContact CB-CG 4.47Å; Y109-L311 CarbonylContact O-C 3.41Å; Y109-L311 WeakPolarHBondContact O-CA 3.38Å; L110-L311 HydrophobicContact CD1-CB 4.28Å; L110-L311 HydrophobicContact CD1-CD1 4.14Å; K293-L311 HydrophobicContact CG-CD2 4.13Å; L296-L311 HydrophobicContact CB-CD1 3.91Å; L296-L311 HydrophobicContact CD1-CD1 3.66Å; L296-L311 HydrophobicContact CG-CD1 4.43Å; Q297-L311 HydrophobicContact CG-CD2 3.8Å; L311-V362 HydrophobicContact CB-CG1 3.92Å; L311-H363 PolarHBondContact N-O 2.84Å; L311-S364 VanDerWaalsContact O-CA 3.32Å; L311-S364 WeakPolarHBondContact O-CA 3.3Å
312I93.5Very high88.5Confident11 Ų1159.4 Ų59.46%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-107.8118.6-177.3-56172.4000108.9A108 Y109 L111 A216 W310A108-I312 CarbonylContact C-O 3.55Å; A108-I312 WeakPolarHBondContact CA-O 3.42Å; A108-I312 WeakPolarHBondContact CB-O 3.31Å; Y109-I312 HydrophobicContact CD2-CB 4.13Å; Y109-I312 HydrophobicContact CD2-CG2 4.1Å; Y109-I312 PolarHBondContact N-O 3.46Å; Y109-I312 PolarHBondContact O-N 2.93Å; L111-I312 HydrophobicContact CD2-CD1 3.55Å; L111-I312 HydrophobicContact CD2-CG1 4.07Å; A216-I312 HydrophobicContact CB-CD1 3.78Å; W310-I312 HydrophobicContact CD2-CD1 4.1Å; W310-I312 HydrophobicContact CD2-CG1 4.17Å; W310-I312 HydrophobicContact CE3-CD1 4.39Å; W310-I312 HydrophobicContact CG-CD1 4.46Å; W310-I312 HydrophobicContact CG-CG1 4.13Å
313S91.8Very high89.1Confident31 Ų3154.1 Ų54.122%0.21726%0.258CS..EExtended strand (participates in β ladder)trans-69.3136.2171.5-77.30000110.6E106 K293E106-S313 WeakPolarHBondContact OE2-CB 3.44Å; E106-S313 PolarHBondContact OE2-OG 3.37Å; K293-S313 PolarHBondContact NZ-OG 2.87Å
314D91.7Very high89.4Confident8 Ų853.3 Ų53.34%0.04325%0.254CS..  trans-70.8123.7169.7-170.5-32.8000109.4Q107 Y109 Q316 V317Q107-D314 HydrophobicContact CB-CB 3.96Å; Q107-D314 HydrophobicContact CG-CB 4.12Å; Q107-D314 PolarHBondContact NE2-OD2 2.74Å; Q107-D314 WeakPolarHBondContact O-CB 3.5Å; Q107-D314 PolarHBondContact O-N 2.94Å; Y109-D314 HydrophobicContact CE1-CB 4.44Å; Y109-D314 HydrophobicContact CE2-CB 4.14Å; Y109-D314 PolarHBondContact OH-OD2 3.3Å; D314-Q316 PolarHBondContact OD1-N 2.78Å; D314-V317 PolarHBondContact OD1-N 2.91Å; D314-V317 VanDerWaalsContact OD1-N 3.16Å; D314-V317 WeakPolarHBondContact OD2-CG2 3.4Å
315R86.2Confident89.7Confident180 Ų18043.7 Ų43.768%0.67921%0.212SC*.SBendtrans-87.5-15.4-177.9-66.7-175.4174.6-179.2-2.1114.4T219T219-R315 PolarHBondContact O-N 2.93Å
316Q83.6Confident90Very high61 Ų6138.8 Ų38.829%0.28519%0.194SC..SBendtrans-99.9-32.4-170.8-175.3179.5700111.8N220 D222 M250 D314N220-Q316 HydrophobicContact CB-CB 3.8Å; D222-Q316 PolarHBondContact OD2-NE2 3.34Å; D222-Q316 PolarHBondContact OD2-OE1 2.93Å; M250-Q316 HydrophobicContact CE-CG 3.46Å; M250-Q316 VanDerWaalsContact CE-CG 3.46Å; D314-Q316 PolarHBondContact OD1-N 2.78Å
317V79.3Confident90.2Very high21 Ų2140.6 Ų40.613%0.12720%0.201CC..SBendtrans-85.6129.5-1741790000110.5Q107 S248 D314Q107-V317 HydrophobicContact CB-CB 4.49Å; Q107-V317 HydrophobicContact CB-CG1 4.38Å; S248-V317 WeakPolarHBondContact O-CG1 3.25Å; S248-V317 WeakPolarHBondContact O-CG2 3.41Å; D314-V317 PolarHBondContact OD1-N 2.91Å; D314-V317 VanDerWaalsContact OD1-N 3.16Å; D314-V317 WeakPolarHBondContact OD2-CG2 3.4Å
318S70.7Confident90.3Very high98 Ų9843 Ų4369%0.68520%0.203SC*.PPolyproline II helixtrans-59.1153.217757.90000112K320S318-K320 PolarHBondContact O-N 3.43Å
319M83.9Confident90.2Very high92 Ų9248.8 Ų48.845%0.45323%0.229SC..PPolyproline II helixtrans-56.1139.3175.9-63.7-168.9-79.200111.3E104 E106E104-M319 VanDerWaalsContact CD-CE 3.45Å; E104-M319 HydrophobicContact CG-CB 3.69Å; E104-M319 HydrophobicContact CG-CE 4.41Å; E104-M319 HydrophobicContact CG-CG 4.17Å; E104-M319 HydrophobicContact CG-SD 3.62Å; E104-M319 WeakPolarHBondContact OE1-CB 3.3Å; E104-M319 WeakPolarHBondContact OE1-CE 3.5Å; E106-M319 HydrophobicContact CG-CG 4.33Å
320K86.3Confident90.3Very high33 Ų3349.2 Ų49.214%0.14323%0.231CC..EExtended strand (participates in β ladder)trans-95136.5174.1-64.3-175-179.3-1580109.5E104 Q105 S248 S318E104-K320 CarbonylContact C-O 3.59Å; E104-K320 WeakPolarHBondContact CA-O 3.47Å; Q105-K320 HydrophobicContact CG-CB 4Å; Q105-K320 PolarHBondContact N-O 3.12Å; Q105-K320 PolarHBondContact O-N 3.41Å; S248-K320 WeakPolarHBondContact OG-CE 3.07Å; S248-K320 PolarHBondContact OG-NZ 2.87Å; S318-K320 PolarHBondContact O-N 3.43Å
321F90.9Very high90.3Very high88 Ų8853.8 Ų53.839%0.38626%0.262SS..EExtended strand (participates in β ladder)trans-99.6136.1171-59.7-72.2000109.9V88 P101 M103 E104V88-F321 HydrophobicContact CG2-CB 4.33Å; V88-F321 PolarHBondContact N-O 3.29Å; P101-F321 HydrophobicContact CB-CB 4.09Å; P101-F321 HydrophobicContact CB-CD1 3.74Å; P101-F321 HydrophobicContact CB-CG 4.18Å; P101-F321 HydrophobicContact CG-CB 4.28Å; P101-F321 HydrophobicContact CG-CD1 4.12Å; P101-F321 HydrophobicContact CG-CG 4.25Å; M103-F321 WeakPolarHBondContact O-CA 3.34Å; E104-F321 HydrophobicContact CB-CD1 4.15Å; E104-F321 HydrophobicContact CB-CE1 4.04Å; E104-F321 HydrophobicContact CG-CD1 4.2Å; E104-F321 HydrophobicContact CG-CE1 3.76Å; E104-F321 HydrophobicContact CG-CZ 4.46Å; E104-F321 VanDerWaalsContact OE1-CE1 3.22Å; E104-F321 WeakPolarHBondContact OE1-CE1 3.1Å; E104-F321 VanDerWaalsContact OE1-CZ 3.31Å; E104-F321 WeakPolarHBondContact OE1-CZ 3.25Å
322T92.3Very high90.3Very high1 Ų156.5 Ų56.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-113.9132.1169.161.70000110.4C86 D87 V102 M103C86-T322 VanDerWaalsContact O-CA 3.3Å; C86-T322 WeakPolarHBondContact O-CA 3.4Å; D87-T322 VanDerWaalsContact OD1-CG2 3.31Å; D87-T322 WeakPolarHBondContact OD1-CG2 3.49Å; V102-T322 PolarHBondContact N-O 2.86Å; M103-T322 WeakPolarHBondContact CB-OG1 3.27Å; M103-T322 PolarHBondContact N-O 3.35Å; M103-T322 PolarHBondContact O-N 3.08Å
323S95.4Very high90.4Very high1 Ų157.5 Ų57.51%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-135.9162.8-175.7-68.20000111.1C86 V88 V98 S99 P101 F325C86-S323 PolarHBondContact N-O 2.94Å; C86-S323 PolarHBondContact O-N 3.47Å; V88-S323 WeakPolarHBondContact CG2-OG 3.44Å; V98-S323 VanDerWaalsContact CG2-CB 3.41Å; S99-S323 PolarHBondContact O-OG 3.4Å; S99-S323 WeakPolarHBondContact OG-CB 3.22Å; P101-S323 WeakPolarHBondContact CA-OG 3.41Å; S323-F325 WeakPolarHBondContact O-CD2 3.26Å
324F96.7Very high90.6Very high0 Ų064.2 Ų64.20%031%0.305CS..  trans-75.9147.8163.3-61.7-66.3000109.8E32 L35 V36 I81 T82 G83 L85 S99 V102 F336 L340E32-F324 HydrophobicContact CB-CE1 4.44Å; E32-F324 WeakPolarHBondContact O-CZ 3.37Å; L35-F324 HydrophobicContact CB-CZ 4.38Å; V36-F324 HydrophobicContact CB-CE1 4.16Å; V36-F324 HydrophobicContact CB-CE2 4.47Å; V36-F324 HydrophobicContact CB-CZ 3.95Å; I81-F324 HydrophobicContact CD1-CB 4.07Å; I81-F324 HydrophobicContact CD1-CG 4.48Å; I81-F324 HydrophobicContact CG1-CB 4.17Å; T82-F324 WeakPolarHBondContact O-CD1 3.49Å; G83-F324 WeakPolarHBondContact O-CE1 3.47Å; L85-F324 HydrophobicContact CD2-CD1 3.67Å; L85-F324 HydrophobicContact CD2-CD2 3.84Å; L85-F324 HydrophobicContact CD2-CE1 3.55Å; L85-F324 HydrophobicContact CD2-CE2 3.71Å; L85-F324 HydrophobicContact CD2-CG 3.83Å; L85-F324 HydrophobicContact CD2-CZ 3.57Å; L85-F324 HydrophobicContact CG-CD1 4.42Å; L85-F324 HydrophobicContact CG-CE1 3.98Å; L85-F324 HydrophobicContact CG-CZ 4.13Å; S99-F324 PolarHBondContact N-O 3.05Å; S99-F324 PolarHBondContact OG-N 2.84Å; V102-F324 HydrophobicContact CG2-CD2 3.89Å; V102-F324 HydrophobicContact CG2-CE2 3.9Å; F324-F336 HydrophobicContact CD2-CE1 4.1Å; F324-L340 HydrophobicContact CD2-CD1 4.22Å; F324-L340 HydrophobicContact CD2-CD2 4.39Å; F324-L340 HydrophobicContact CE2-CD2 4.11Å
325F97.7Very high90.8Very high0 Ų067.8 Ų67.80%032%0.324CS..EExtended strand (participates in β ladder)trans-116.4146.3176.3-77.5-101.7000110.1L71 L74 I81 T82 C86 V88 R92 F96 G97 V98 S323L71-F325 HydrophobicContact CD2-CB 3.89Å; L71-F325 HydrophobicContact CD2-CD1 3.95Å; L71-F325 HydrophobicContact CD2-CG 3.93Å; L74-F325 HydrophobicContact CD1-CB 3.89Å; I81-F325 CarbonylContact C-O 3.49Å; I81-F325 WeakPolarHBondContact CA-O 3.48Å; T82-F325 HydrophobicContact CG2-CB 3.9Å; T82-F325 PolarHBondContact N-O 2.94Å; T82-F325 PolarHBondContact OG1-N 2.84Å; C86-F325 HydrophobicContact CB-CD2 3.52Å; C86-F325 HydrophobicContact CB-CE2 3.49Å; C86-F325 VanDerWaalsContact CB-CE2 3.49Å; V88-F325 HydrophobicContact CG2-CE2 4.36Å; V88-F325 HydrophobicContact CG2-CZ 4.23Å; R92-F325 HydrophobicContact CB-CE1 3.66Å; R92-F325 HydrophobicContact CB-CZ 4.1Å; F96-F325 HydrophobicContact CB-CD1 3.86Å; G97-F325 WeakPolarHBondContact O-CA 3.48Å; V98-F325 HydrophobicContact CB-CD1 4.43Å; V98-F325 HydrophobicContact CB-CE1 4.15Å; V98-F325 HydrophobicContact CB-CZ 4.45Å; V98-F325 HydrophobicContact CG2-CD1 4.47Å; V98-F325 HydrophobicContact CG2-CE1 4.01Å; V98-F325 HydrophobicContact CG2-CE2 4.07Å; V98-F325 HydrophobicContact CG2-CZ 3.81Å; S323-F325 WeakPolarHBondContact O-CD2 3.26Å
326W97.2Very high91.2Very high8 Ų859.2 Ų59.23%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-144.8174.3175.948.962.7000110.6D80 I81 G97 S99 F330 F336 N337D80-W326 WeakPolarHBondContact O-CA 3.3Å; D80-W326 VanDerWaalsContact O-CB 3.26Å; D80-W326 WeakPolarHBondContact O-CB 3.37Å; I81-W326 HydrophobicContact CD1-CE3 3.64Å; I81-W326 HydrophobicContact CD1-CZ3 3.99Å; I81-W326 HydrophobicContact CG1-CE3 3.98Å; G97-W326 PolarHBondContact N-O 2.94Å; G97-W326 PolarHBondContact O-N 3.3Å; S99-W326 VanDerWaalsContact CA-CH2 3.47Å; S99-W326 VanDerWaalsContact CB-CH2 3.42Å; W326-F330 HydrophobicContact CB-CB 3.9Å; W326-F330 HydrophobicContact CB-CD1 4.07Å; W326-F330 HydrophobicContact CB-CG 3.95Å; W326-F330 HydrophobicContact CD2-CB 4.46Å; W326-F330 AromaticContact CD2-CD1 3.68Å; W326-F330 HydrophobicContact CD2-CD1 3.68Å; W326-F330 HydrophobicContact CD2-CE1 4.36Å; W326-F330 HydrophobicContact CD2-CG 4.36Å; W326-F330 AromaticContact CE3-CD1 3.92Å; W326-F330 HydrophobicContact CE3-CD1 3.92Å; W326-F330 HydrophobicContact CE3-CE1 4.14Å; W326-F330 HydrophobicContact CG-CB 3.73Å; W326-F330 AromaticContact CG-CD1 3.75Å; W326-F330 HydrophobicContact CG-CD1 3.75Å; W326-F330 AromaticContact CG-CG 3.95Å; W326-F330 HydrophobicContact CG-CG 3.95Å; W326-F336 HydrophobicContact CH2-CB 4.2Å; W326-F336 HydrophobicContact CH2-CD1 4.26Å; W326-F336 HydrophobicContact CH2-CG 4.48Å; W326-F336 HydrophobicContact CZ3-CB 4.16Å; W326-F336 AromaticContact CZ3-CD1 3.73Å; W326-F336 HydrophobicContact CZ3-CD1 3.73Å; W326-F336 HydrophobicContact CZ3-CE1 4.43Å; W326-F336 AromaticContact CZ3-CG 3.99Å; W326-F336 HydrophobicContact CZ3-CG 3.99Å; W326-N337 WeakPolarHBondContact CH2-OD1 3.45Å
327R94.8Very high91.8Very high91 Ų9158 Ų5834%0.34329%0.287SS..  trans-67.8145.1173.1-64.4-176.4-70.8153.2-4.6110.2L74 N77 D80 H329 F330L74-R327 HydrophobicContact CB-CG 4.48Å; L74-R327 HydrophobicContact CD2-CG 4.12Å; L74-R327 WeakPolarHBondContact O-CD 3.49Å; N77-R327 PolarHBondContact OD1-NH1 3.49Å; N77-R327 PolarHBondContact OD1-NH2 3.2Å; N77-R327 VanDerWaalsContact OD1-NH2 3.1Å; D80-R327 IonicContact OD1-CZ 3.57Å; D80-R327 IonicContact OD1-NH2 3.49Å; D80-R327 PolarHBondContact OD1-NH2 2.82Å; R327-H329 PolarHBondContact O-N 2.96Å; R327-F330 VanDerWaalsContact O-CB 3.31Å; R327-F330 WeakPolarHBondContact O-CB 3.41Å; R327-F330 PolarHBondContact O-N 3.45Å
328K91.3Very high92.6Very high116 Ų11659.4 Ų59.450%0.50430%0.298SS..THydrogen-bonded Turntrans-50.7-31.8-176.4-79.3-167.8176.6-174.50114.9Q94Q94-K328 WeakPolarHBondContact O-CE 3.48Å; Q94-K328 PolarHBondContact O-NZ 3.17Å
329H90.5Very high93.8Very high178 Ų17855.9 Ų55.982%0.82427%0.272SS*.THydrogen-bonded Turntrans-101.633.9-179.7-56-62.4000113R327 P331R327-H329 PolarHBondContact O-N 2.96Å; H329-P331 WeakPolarHBondContact O-CD 2.96Å
330F94Very high94.2Very high9 Ų952.2 Ų52.24%0.03925%0.254CS..  trans-67.3116.3177.3-178.3-124000110.7L5 D80 W326 R327 Y332 S333 F336L5-F330 HydrophobicContact CD1-CE2 3.54Å; L5-F330 HydrophobicContact CD1-CZ 3.65Å; D80-F330 HydrophobicContact CB-CE2 4.31Å; W326-F330 HydrophobicContact CB-CB 3.9Å; W326-F330 HydrophobicContact CB-CD1 4.07Å; W326-F330 HydrophobicContact CB-CG 3.95Å; W326-F330 HydrophobicContact CD2-CB 4.46Å; W326-F330 AromaticContact CD2-CD1 3.68Å; W326-F330 HydrophobicContact CD2-CD1 3.68Å; W326-F330 HydrophobicContact CD2-CE1 4.36Å; W326-F330 HydrophobicContact CD2-CG 4.36Å; W326-F330 AromaticContact CE3-CD1 3.92Å; W326-F330 HydrophobicContact CE3-CD1 3.92Å; W326-F330 HydrophobicContact CE3-CE1 4.14Å; W326-F330 HydrophobicContact CG-CB 3.73Å; W326-F330 AromaticContact CG-CD1 3.75Å; W326-F330 HydrophobicContact CG-CD1 3.75Å; W326-F330 AromaticContact CG-CG 3.95Å; W326-F330 HydrophobicContact CG-CG 3.95Å; R327-F330 VanDerWaalsContact O-CB 3.31Å; R327-F330 WeakPolarHBondContact O-CB 3.41Å; R327-F330 PolarHBondContact O-N 3.45Å; F330-Y332 VanDerWaalsContact C-N 3.3Å; F330-Y332 HydrophobicContact CE2-CD2 4.04Å; F330-Y332 AromaticContact CZ-CD2 3.99Å; F330-Y332 HydrophobicContact CZ-CD2 3.99Å; F330-Y332 HydrophobicContact CZ-CG 4.38Å; F330-Y332 PolarHBondContact O-N 3.32Å; F330-S333 VanDerWaalsContact O-CB 3.3Å; F330-S333 WeakPolarHBondContact O-CB 3.35Å; F330-S333 PolarHBondContact O-N 3.43Å; F330-S333 PolarHBondContact O-OG 3.03Å; F330-F336 HydrophobicContact CE1-CD2 4.46Å
331P93.7Very high94.5Very high99 Ų9956.4 Ų56.464%0.64328%0.275SS*.THydrogen-bonded Turntrans-63.7-34.3-169.421.9-32.2000113H329 S333H329-P331 WeakPolarHBondContact O-CD 2.96Å; P331-S333 VanDerWaalsContact C-N 3.32Å; P331-S333 PolarHBondContact O-N 3.47Å
332Y94.6Very high94.6Very high61 Ų6158.7 Ų58.724%0.23929%0.287CS..THydrogen-bonded Turntrans-88.98.7-178.5-54.9-71.6000114.1E3 M45 F330 K334 D335 F336E3-Y332 WeakPolarHBondContact OE2-CE2 3.36Å; E3-Y332 PolarHBondContact OE2-OH 3.03Å; M45-Y332 HydrophobicContact CE-CG 4.43Å; M45-Y332 HydrophobicContact SD-CD2 3.91Å; M45-Y332 HydrophobicContact SD-CE2 3.97Å; M45-Y332 HydrophobicContact SD-CG 4.3Å; F330-Y332 VanDerWaalsContact C-N 3.3Å; F330-Y332 HydrophobicContact CE2-CD2 4.04Å; F330-Y332 AromaticContact CZ-CD2 3.99Å; F330-Y332 HydrophobicContact CZ-CD2 3.99Å; F330-Y332 HydrophobicContact CZ-CG 4.38Å; F330-Y332 PolarHBondContact O-N 3.32Å; Y332-K334 VanDerWaalsContact C-N 3.27Å; Y332-K334 PolarHBondContact O-N 3.45Å; Y332-D335 PolarHBondContact O-N 3.42Å; Y332-F336 VanDerWaalsContact O-CB 3.25Å; Y332-F336 WeakPolarHBondContact O-CB 3.46Å; Y332-F336 PolarHBondContact O-N 3.2Å
333S95.2Very high94.4Very high31 Ų3159.9 Ų59.922%0.21729%0.293CS..Hα-helixtrans-56.3-37.2-174.4510000113.8F330 P331 N337F330-S333 VanDerWaalsContact O-CB 3.3Å; F330-S333 WeakPolarHBondContact O-CB 3.35Å; F330-S333 PolarHBondContact O-N 3.43Å; F330-S333 PolarHBondContact O-OG 3.03Å; P331-S333 VanDerWaalsContact C-N 3.32Å; P331-S333 PolarHBondContact O-N 3.47Å; S333-N337 WeakPolarHBondContact O-CB 3.33Å; S333-N337 PolarHBondContact O-N 2.9Å; S333-N337 VanDerWaalsContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.23Å
334K96Very high93.9Very high172 Ų17261.2 Ų61.275%0.74831%0.307SS*.Hα-helixtrans-69.3-50177.5-70-175.3179.8-1800112Y332 F336 N337 S338Y332-K334 VanDerWaalsContact C-N 3.27Å; Y332-K334 PolarHBondContact O-N 3.45Å; K334-F336 VanDerWaalsContact C-N 3.31Å; K334-F336 PolarHBondContact O-N 3.47Å; K334-N337 PolarHBondContact O-N 2.94Å; K334-S338 PolarHBondContact O-N 2.89Å
335D95.7Very high93.3Very high83 Ų8367.3 Ų67.344%0.44434%0.339SS..Hα-helixtrans-63.9-41.2-179.2-54.9-35.5000110.8L43 Y332 N337 S338 L339L43-D335 HydrophobicContact CD1-CB 4.34Å; L43-D335 HydrophobicContact CD2-CB 4.02Å; Y332-D335 PolarHBondContact O-N 3.42Å; D335-N337 PolarHBondContact O-N 2.95Å; D335-S338 PolarHBondContact O-N 3.47Å; D335-L339 WeakPolarHBondContact O-CG 3.43Å; D335-L339 PolarHBondContact O-N 3.37Å
336F95.3Very high92.7Very high0 Ų070.4 Ų70.40%036%0.358CS..Hα-helixtrans-61.6-44.4176.9-150-76.6000111.7V36 I39 I81 F324 W326 F330 Y332 K334 L340V36-F336 HydrophobicContact CB-CZ 4.33Å; V36-F336 HydrophobicContact CG2-CE2 4.21Å; V36-F336 HydrophobicContact CG2-CZ 3.56Å; I39-F336 HydrophobicContact CB-CE1 4.5Å; I39-F336 HydrophobicContact CB-CE2 3.97Å; I39-F336 HydrophobicContact CB-CZ 3.92Å; I39-F336 HydrophobicContact CD1-CD1 4.05Å; I39-F336 HydrophobicContact CD1-CE1 3.51Å; I39-F336 HydrophobicContact CD1-CE2 4.49Å; I39-F336 HydrophobicContact CD1-CZ 3.74Å; I39-F336 HydrophobicContact CG1-CZ 4.44Å; I39-F336 HydrophobicContact CG2-CD1 4.33Å; I39-F336 HydrophobicContact CG2-CD2 3.52Å; I39-F336 HydrophobicContact CG2-CE1 4.23Å; I39-F336 HydrophobicContact CG2-CE2 3.41Å; I39-F336 VanDerWaalsContact CG2-CE2 3.41Å; I39-F336 HydrophobicContact CG2-CG 3.97Å; I39-F336 HydrophobicContact CG2-CZ 3.76Å; I81-F336 HydrophobicContact CD1-CD1 4.42Å; I81-F336 HydrophobicContact CD1-CD2 4.35Å; I81-F336 HydrophobicContact CD1-CE1 3.97Å; I81-F336 HydrophobicContact CD1-CE2 3.89Å; I81-F336 HydrophobicContact CD1-CZ 3.72Å; F324-F336 HydrophobicContact CD2-CE1 4.1Å; W326-F336 HydrophobicContact CH2-CB 4.2Å; W326-F336 HydrophobicContact CH2-CD1 4.26Å; W326-F336 HydrophobicContact CH2-CG 4.48Å; W326-F336 HydrophobicContact CZ3-CB 4.16Å; W326-F336 AromaticContact CZ3-CD1 3.73Å; W326-F336 HydrophobicContact CZ3-CD1 3.73Å; W326-F336 HydrophobicContact CZ3-CE1 4.43Å; W326-F336 AromaticContact CZ3-CG 3.99Å; W326-F336 HydrophobicContact CZ3-CG 3.99Å; F330-F336 HydrophobicContact CE1-CD2 4.46Å; Y332-F336 VanDerWaalsContact O-CB 3.25Å; Y332-F336 WeakPolarHBondContact O-CB 3.46Å; Y332-F336 PolarHBondContact O-N 3.2Å; K334-F336 VanDerWaalsContact C-N 3.31Å; K334-F336 PolarHBondContact O-N 3.47Å; F336-L340 HydrophobicContact CD1-CD1 3.63Å; F336-L340 HydrophobicContact CD1-CG 3.95Å; F336-L340 HydrophobicContact CE1-CD1 3.82Å; F336-L340 HydrophobicContact CE1-CD2 4.37Å; F336-L340 HydrophobicContact CE1-CG 4Å; F336-L340 WeakPolarHBondContact O-CB 3.18Å; F336-L340 WeakPolarHBondContact O-CG 3.34Å; F336-L340 PolarHBondContact O-N 2.84Å
337N96Very high91.9Very high36 Ų3671 Ų7119%0.19336%0.363CS..Hα-helixtrans-66.7-39.7176.2-81.4-22000112.6S99 T100 W326 S333 K334 D335 L340 M341S99-N337 WeakPolarHBondContact CA-OD1 3.47Å; T100-N337 HydrophobicContact CG2-CB 4.05Å; T100-N337 PolarHBondContact N-OD1 3.34Å; W326-N337 WeakPolarHBondContact CH2-OD1 3.45Å; S333-N337 WeakPolarHBondContact O-CB 3.33Å; S333-N337 PolarHBondContact O-N 2.9Å; S333-N337 VanDerWaalsContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.23Å; K334-N337 PolarHBondContact O-N 2.94Å; D335-N337 PolarHBondContact O-N 2.95Å; N337-L340 PolarHBondContact O-N 2.84Å; N337-M341 WeakPolarHBondContact O-CE 3.27Å; N337-M341 WeakPolarHBondContact O-CG 3.47Å; N337-M341 PolarHBondContact O-N 3.32Å
338S96Very high91.4Very high51 Ų5173.4 Ų73.436%0.35738%0.376SS..Hα-helixtrans-59.7-49.9176.4-161.70000110.7K334 D335 L340 M341 E342K334-S338 PolarHBondContact O-N 2.89Å; D335-S338 PolarHBondContact O-N 3.47Å; S338-L340 PolarHBondContact O-N 3.3Å; S338-M341 PolarHBondContact O-N 3.48Å; S338-E342 WeakPolarHBondContact O-CG 3.48Å; S338-E342 PolarHBondContact O-N 2.93Å; S338-E342 PolarHBondContact OG-OE1 2.9Å
339L95.2Very high91.1Very high24 Ų2473.4 Ų73.413%0.12638%0.382CS..Hα-helixtrans-65.2-38.2178.9-70.2171.4000112.2I39 V42 L43 D335 M341 E342 M343I39-L339 HydrophobicContact CG1-CB 4.16Å; I39-L339 HydrophobicContact CG2-CB 4.2Å; I39-L339 HydrophobicContact CG2-CD1 3.83Å; V42-L339 HydrophobicContact CB-CD1 4.23Å; V42-L339 HydrophobicContact CG1-CD1 3.89Å; V42-L339 HydrophobicContact CG1-CD2 3.89Å; L43-L339 HydrophobicContact CD1-CD1 3.99Å; L43-L339 HydrophobicContact CD2-CD1 3.69Å; L43-L339 HydrophobicContact CG-CD1 3.64Å; D335-L339 WeakPolarHBondContact O-CG 3.43Å; D335-L339 PolarHBondContact O-N 3.37Å; L339-M341 VanDerWaalsContact C-N 3.32Å; L339-M341 PolarHBondContact O-N 3.44Å; L339-E342 PolarHBondContact O-N 3.46Å; L339-M343 VanDerWaalsContact O-CB 3.26Å; L339-M343 WeakPolarHBondContact O-CB 3.46Å; L339-M343 WeakPolarHBondContact O-CG 3.49Å; L339-M343 PolarHBondContact O-N 3.48Å
340L93.9Very high90.8Very high15 Ų1566 Ų668%0.07935%0.348CS..Hα-helixtrans-60.5-41.2173.2-81.3172.4000112.5I39 V102 F324 F336 N337 S338 M343 G344I39-L340 HydrophobicContact CD1-CD2 3.45Å; I39-L340 VanDerWaalsContact CD1-CD2 3.45Å; I39-L340 HydrophobicContact CD1-CG 3.56Å; V102-L340 HydrophobicContact CG2-CD1 4.25Å; V102-L340 HydrophobicContact CG2-CD2 3.99Å; F324-L340 HydrophobicContact CD2-CD1 4.22Å; F324-L340 HydrophobicContact CD2-CD2 4.39Å; F324-L340 HydrophobicContact CE2-CD2 4.11Å; F336-L340 HydrophobicContact CD1-CD1 3.63Å; F336-L340 HydrophobicContact CD1-CG 3.95Å; F336-L340 HydrophobicContact CE1-CD1 3.82Å; F336-L340 HydrophobicContact CE1-CD2 4.37Å; F336-L340 HydrophobicContact CE1-CG 4Å; F336-L340 WeakPolarHBondContact O-CB 3.18Å; F336-L340 WeakPolarHBondContact O-CG 3.34Å; F336-L340 PolarHBondContact O-N 2.84Å; N337-L340 PolarHBondContact O-N 2.84Å; S338-L340 PolarHBondContact O-N 3.3Å; L340-M343 CarbonylContact O-C 3.42Å; L340-M343 PolarHBondContact O-N 2.97Å; L340-G344 PolarHBondContact O-N 3.24Å
341M92.8Very high90.2Very high120 Ų12065.9 Ų65.959%0.59135%0.35SS*.Hα-helixtrans-66.9-43.2177.3-71.4-176.3-65.700111.4T100 N337 S338 L339 M343 G344T100-M341 HydrophobicContact CG2-CG 4.01Å; T100-M341 HydrophobicContact CG2-SD 4.06Å; N337-M341 WeakPolarHBondContact O-CE 3.27Å; N337-M341 WeakPolarHBondContact O-CG 3.47Å; N337-M341 PolarHBondContact O-N 3.32Å; S338-M341 PolarHBondContact O-N 3.48Å; L339-M341 VanDerWaalsContact C-N 3.32Å; L339-M341 PolarHBondContact O-N 3.44Å; M341-M343 VanDerWaalsContact C-N 3.28Å; M341-M343 PolarHBondContact O-N 3.31Å; M341-G344 PolarHBondContact O-N 2.9Å; M341-G344 VanDerWaalsContact O-N 3.16Å
342E91.6Very high89.7Confident137 Ų13767.3 Ų67.364%0.6435%0.346SS*.Hα-helixtrans-63.5-34.4175-72.2170.7-152.700112.2S338 L339 G344S338-E342 WeakPolarHBondContact O-CG 3.48Å; S338-E342 PolarHBondContact O-N 2.93Å; S338-E342 PolarHBondContact OG-OE1 2.9Å; L339-E342 PolarHBondContact O-N 3.46Å; E342-G344 PolarHBondContact O-N 2.88Å
343M88.7Confident89.2Confident25 Ų2569.3 Ų69.312%0.12336%0.356CS..THydrogen-bonded Turntrans-81.78.1176.7-67.8-177.384.900113.6L35 T38 I39 L339 L340 M341 D345 V346 S347L35-M343 HydrophobicContact CD2-CE 4.39Å; T38-M343 HydrophobicContact CG2-CE 3.43Å; T38-M343 VanDerWaalsContact CG2-CE 3.43Å; T38-M343 HydrophobicContact CG2-SD 4.33Å; I39-M343 HydrophobicContact CD1-SD 4.24Å; I39-M343 HydrophobicContact CG1-SD 3.61Å; L339-M343 VanDerWaalsContact O-CB 3.26Å; L339-M343 WeakPolarHBondContact O-CB 3.46Å; L339-M343 WeakPolarHBondContact O-CG 3.49Å; L339-M343 PolarHBondContact O-N 3.48Å; L340-M343 CarbonylContact O-C 3.42Å; L340-M343 PolarHBondContact O-N 2.97Å; M341-M343 VanDerWaalsContact C-N 3.28Å; M341-M343 PolarHBondContact O-N 3.31Å; M343-D345 VanDerWaalsContact C-N 3.28Å; M343-D345 PolarHBondContact O-N 3.44Å; M343-V346 HydrophobicContact CB-CB 4.37Å; M343-V346 HydrophobicContact CE-CG1 4.22Å; M343-V346 CarbonylContact O-C 3.59Å; M343-V346 WeakPolarHBondContact O-CA 3.25Å; M343-V346 WeakPolarHBondContact O-CB 3.32Å; M343-V346 PolarHBondContact O-N 3.41Å; M343-S347 PolarHBondContact O-N 3.44Å
344G84.8Confident88.4Confident30 Ų3068.5 Ų68.531%0.30935%0.348SS..Hα-helixtrans-55.4-38.6-177.500000114.1L340 M341 E342 S347 K348L340-G344 PolarHBondContact O-N 3.24Å; M341-G344 PolarHBondContact O-N 2.9Å; M341-G344 VanDerWaalsContact O-N 3.16Å; E342-G344 PolarHBondContact O-N 2.88Å; G344-S347 PolarHBondContact O-OG 3.26Å; G344-K348 WeakPolarHBondContact O-CB 3.28Å; G344-K348 PolarHBondContact O-N 2.89Å; G344-K348 VanDerWaalsContact O-N 3.17Å
345D83.9Confident87.8Confident127 Ų12761.4 Ų61.468%0.67932%0.318SS*.Hα-helixtrans-70.7-36.4175.2-75.7-27.1000112.1M343 K348 L349M343-D345 VanDerWaalsContact C-N 3.28Å; M343-D345 PolarHBondContact O-N 3.44Å; D345-K348 PolarHBondContact O-N 2.99Å; D345-L349 WeakPolarHBondContact O-CB 3.44Å; D345-L349 WeakPolarHBondContact O-CG 3.27Å; D345-L349 PolarHBondContact O-N 3.31Å
346V84.6Confident86.9Confident65 Ų6558.8 Ų58.839%0.39431%0.31SS..Hα-helixtrans-66.4-43.9176.6-179.90000110.4M343 K348 L349 L350M343-V346 HydrophobicContact CB-CB 4.37Å; M343-V346 HydrophobicContact CE-CG1 4.22Å; M343-V346 CarbonylContact O-C 3.59Å; M343-V346 WeakPolarHBondContact O-CA 3.25Å; M343-V346 WeakPolarHBondContact O-CB 3.32Å; M343-V346 PolarHBondContact O-N 3.41Å; V346-K348 VanDerWaalsContact C-N 3.29Å; V346-K348 PolarHBondContact O-N 3.26Å; V346-L349 PolarHBondContact O-N 3Å; V346-L350 HydrophobicContact CG1-CD1 3.97Å; V346-L350 HydrophobicContact CG1-CG 4.24Å; V346-L350 WeakPolarHBondContact O-CB 3.49Å; V346-L350 VanDerWaalsContact O-CG 3.31Å; V346-L350 WeakPolarHBondContact O-CG 3.47Å; V346-L350 PolarHBondContact O-N 3.23Å
347S82.1Confident85.7Confident20 Ų2063.7 Ų63.714%0.1434%0.336CS..Hα-helixtrans-62.1-38.9177.273.80000111.2M343 G344 G351M343-S347 PolarHBondContact O-N 3.44Å; G344-S347 PolarHBondContact O-OG 3.26Å; S347-G351 PolarHBondContact O-N 3.35Å
348K83.5Confident84.8Confident142 Ų14262 Ų6262%0.61733%0.327SS*.Hα-helixtrans-67.1-41.4175.5-167.2175.3-174.4174.90112.6G344 D345 V346 G351 K352G344-K348 WeakPolarHBondContact O-CB 3.28Å; G344-K348 PolarHBondContact O-N 2.89Å; G344-K348 VanDerWaalsContact O-N 3.17Å; D345-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact C-N 3.29Å; V346-K348 PolarHBondContact O-N 3.26Å; K348-G351 PolarHBondContact O-N 2.95Å; K348-K352 PolarHBondContact O-N 3.43Å
349L85.4Confident83.8Confident117 Ų11765 Ų6561%0.61334%0.336SS*.Hα-helixtrans-65.1-45.7175.3-82.4160.6000111.8D345 V346 G351 K352 K353D345-L349 WeakPolarHBondContact O-CB 3.44Å; D345-L349 WeakPolarHBondContact O-CG 3.27Å; D345-L349 PolarHBondContact O-N 3.31Å; V346-L349 PolarHBondContact O-N 3Å; L349-G351 VanDerWaalsContact C-N 3.34Å; L349-K352 WeakPolarHBondContact O-CB 3.18Å; L349-K352 PolarHBondContact O-N 3.24Å; L349-K353 PolarHBondContact O-N 3.26Å
350L83.1Confident82.8Confident21 Ų2171.1 Ų71.111%0.1137%0.368CS..Hα-helixtrans-61.8-45.1174.1-70.3173.4000110.1L31 E34 L35 V346 K352 K353 Y354L31-L350 HydrophobicContact CD1-CB 3.29Å; L31-L350 HydrophobicContact CD1-CD1 4.08Å; L31-L350 HydrophobicContact CD1-CG 4.32Å; E34-L350 HydrophobicContact CG-CD1 4.3Å; E34-L350 WeakPolarHBondContact OE2-CD2 3.35Å; L35-L350 HydrophobicContact CD2-CD1 3.95Å; L35-L350 HydrophobicContact CG-CD1 4.24Å; V346-L350 HydrophobicContact CG1-CD1 3.97Å; V346-L350 HydrophobicContact CG1-CG 4.24Å; V346-L350 WeakPolarHBondContact O-CB 3.49Å; V346-L350 VanDerWaalsContact O-CG 3.31Å; V346-L350 WeakPolarHBondContact O-CG 3.47Å; V346-L350 PolarHBondContact O-N 3.23Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.94Å; L350-K353 HydrophobicContact CD2-CD 4.45Å; L350-K353 WeakPolarHBondContact O-CA 3.29Å; L350-K353 VanDerWaalsContact O-CB 3.23Å; L350-K353 WeakPolarHBondContact O-CB 3.39Å; L350-K353 PolarHBondContact O-N 3.38Å; L350-Y354 WeakPolarHBondContact O-CD2 3.36Å; L350-Y354 PolarHBondContact O-N 3.39Å; L350-Y354 VanDerWaalsContact O-N 3.17Å
351G81.6Confident82.1Confident8 Ų873 Ų738%0.08238%0.38CS..Hα-helixtrans-50.6-49.7172.800000112S347 K348 L349 K353 Y354 I355S347-G351 PolarHBondContact O-N 3.35Å; K348-G351 PolarHBondContact O-N 2.95Å; L349-G351 VanDerWaalsContact C-N 3.34Å; G351-K353 VanDerWaalsContact C-N 3.34Å; G351-K353 PolarHBondContact O-N 2.94Å; G351-Y354 PolarHBondContact O-N 2.86Å; G351-I355 WeakPolarHBondContact O-CG1 3.18Å; G351-I355 PolarHBondContact O-N 3.38Å; G351-I355 VanDerWaalsContact O-N 3.07Å
352K83.6Confident81.7Confident128 Ų12867.7 Ų67.756%0.55736%0.355SS*.Hα-helixtrans-59.8-36.6174.6-75.2-177.2177.1-175.70113.6K348 L349 L350 Y354 I355 G356K348-K352 PolarHBondContact O-N 3.43Å; L349-K352 WeakPolarHBondContact O-CB 3.18Å; L349-K352 PolarHBondContact O-N 3.24Å; L350-K352 VanDerWaalsContact C-N 3.3Å; L350-K352 PolarHBondContact O-N 2.94Å; K352-Y354 PolarHBondContact O-N 2.85Å; K352-I355 PolarHBondContact O-N 3.49Å; K352-G356 VanDerWaalsContact O-CA 3.25Å; K352-G356 WeakPolarHBondContact O-CA 3.17Å; K352-G356 PolarHBondContact O-N 3.1Å
353K84.4Confident81.4Confident104 Ų10464.9 Ų64.945%0.45234%0.341SS..Hα-helixtrans-59.3-34173.1-178.3-162.4179.9-158.90111.7D28 K301 L349 L350 G351D28-K353 IonicContact OD1-NZ 3.83Å; D28-K353 IonicContact OD2-NZ 2.78Å; D28-K353 PolarHBondContact OD2-NZ 3.37Å; K301-K353 PolarHBondContact NZ-O 3.46Å; L349-K353 PolarHBondContact O-N 3.26Å; L350-K353 HydrophobicContact CD2-CD 4.45Å; L350-K353 WeakPolarHBondContact O-CA 3.29Å; L350-K353 VanDerWaalsContact O-CB 3.23Å; L350-K353 WeakPolarHBondContact O-CB 3.39Å; L350-K353 PolarHBondContact O-N 3.38Å; G351-K353 VanDerWaalsContact C-N 3.34Å; G351-K353 PolarHBondContact O-N 2.94Å
354Y79.4Confident81.2Confident14 Ų1466.9 Ų66.96%0.05536%0.358CS..Hα-helixtrans-83.1-35.8-179.5-75.2-83.8000113.9D28 G30 L31 K301 L350 G351 K352D28-Y354 PolarHBondContact OD1-OH 3.17Å; D28-Y354 PolarHBondContact OD2-OH 3.47Å; D28-Y354 VanDerWaalsContact OD2-OH 3.06Å; G30-Y354 VanDerWaalsContact C-OH 3.22Å; G30-Y354 WeakPolarHBondContact CA-OH 3.47Å; G30-Y354 PolarHBondContact N-OH 3.48Å; L31-Y354 HydrophobicContact CB-CD2 3.94Å; L31-Y354 HydrophobicContact CB-CE2 3.66Å; L31-Y354 HydrophobicContact CD1-CD2 4.43Å; L31-Y354 HydrophobicContact CD1-CE2 4.39Å; L31-Y354 PolarHBondContact N-OH 2.81Å; L31-Y354 VanDerWaalsContact N-OH 3.08Å; K301-Y354 VanDerWaalsContact CD-O 3.26Å; K301-Y354 WeakPolarHBondContact CD-O 3.4Å; K301-Y354 WeakPolarHBondContact CG-O 3.47Å; L350-Y354 WeakPolarHBondContact O-CD2 3.36Å; L350-Y354 PolarHBondContact O-N 3.39Å; L350-Y354 VanDerWaalsContact O-N 3.17Å; G351-Y354 PolarHBondContact O-N 2.86Å; K352-Y354 PolarHBondContact O-N 2.85Å
355I83.1Confident81.3Confident23 Ų2371.8 Ų71.812%0.11837%0.37CS..Hα-helixtrans-112-12.7-173.968.6177000115.2F294 Q297 G351 K352 L357 V358 Q359F294-I355 HydrophobicContact CD2-CD1 4.13Å; F294-I355 HydrophobicContact CD2-CG2 3.67Å; F294-I355 HydrophobicContact CE2-CD1 4.39Å; F294-I355 HydrophobicContact CE2-CG2 3.55Å; F294-I355 HydrophobicContact CG-CG2 4.44Å; F294-I355 HydrophobicContact CZ-CG2 4.25Å; Q297-I355 HydrophobicContact CB-CB 4.03Å; Q297-I355 HydrophobicContact CB-CG2 3.72Å; G351-I355 WeakPolarHBondContact O-CG1 3.18Å; G351-I355 PolarHBondContact O-N 3.38Å; G351-I355 VanDerWaalsContact O-N 3.07Å; K352-I355 PolarHBondContact O-N 3.49Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 3.29Å; I355-V358 WeakPolarHBondContact O-CA 3.28Å; I355-V358 WeakPolarHBondContact O-CB 3.33Å; I355-V358 PolarHBondContact O-N 3.02Å; I355-Q359 PolarHBondContact O-N 3.49Å
356G76.9Confident81.1Confident27 Ų2768.6 Ų68.628%0.27836%0.357SS..Hα-helixtrans-57-42.7-167.300000113.7K352 V358 Q359K352-G356 VanDerWaalsContact O-CA 3.25Å; K352-G356 WeakPolarHBondContact O-CA 3.17Å; K352-G356 PolarHBondContact O-N 3.1Å; G356-V358 PolarHBondContact O-N 2.9Å; G356-Q359 PolarHBondContact O-N 3.23Å
357L69.3Low81Confident103 Ų10369.3 Ų69.354%0.53936%0.355SS..Hα-helixtrans-62.6-28.1177.2-161.886.7000113.2R306 I355 T361R306-L357 VanDerWaalsContact NH2-CD2 3.34Å; I355-L357 VanDerWaalsContact C-N 3.34Å; I355-L357 PolarHBondContact O-N 3.29Å; L357-T361 WeakPolarHBondContact O-CG2 3.44Å; L357-T361 PolarHBondContact O-OG1 3.03Å
358V77.9Confident81Confident1 Ų168.6 Ų68.61%0.00635%0.349CS..Hα-helixtrans-84.3-34-173.4-176.20000110.9Q297 L300 K301 I355 G356 D360 T361 V362Q297-V358 HydrophobicContact CB-CB 4.39Å; Q297-V358 HydrophobicContact CB-CG1 4.08Å; Q297-V358 HydrophobicContact CG-CG1 4.12Å; Q297-V358 WeakPolarHBondContact O-CG2 3.46Å; L300-V358 HydrophobicContact CB-CG1 3.74Å; L300-V358 HydrophobicContact CB-CG2 4.4Å; L300-V358 HydrophobicContact CD1-CG1 4.26Å; K301-V358 VanDerWaalsContact CA-CG2 3.44Å; K301-V358 HydrophobicContact CB-CG2 4.03Å; I355-V358 WeakPolarHBondContact O-CA 3.28Å; I355-V358 WeakPolarHBondContact O-CB 3.33Å; I355-V358 PolarHBondContact O-N 3.02Å; G356-V358 PolarHBondContact O-N 2.9Å; V358-D360 PolarHBondContact O-N 2.86Å; V358-T361 PolarHBondContact O-N 3.42Å; V358-T361 VanDerWaalsContact O-N 3.11Å; V358-T361 PolarHBondContact O-OG1 3.19Å; V358-V362 HydrophobicContact CG1-CB 4.24Å; V358-V362 HydrophobicContact CG1-CG2 3.48Å; V358-V362 VanDerWaalsContact CG1-CG2 3.48Å; V358-V362 PolarHBondContact O-N 2.97Å; V358-V362 VanDerWaalsContact O-N 3.1Å
359Q73.7Confident80.4Confident115 Ų11567.8 Ų67.854%0.53734%0.343SS..Hα-helixtrans-59.7-31.3-176.5-164.1164.5-7.700112.6I355 G356I355-Q359 PolarHBondContact O-N 3.49Å; G356-Q359 PolarHBondContact O-N 3.23Å
360D73.9Confident79.2Confident152 Ų15262.8 Ų62.881%0.81332%0.32SS*.THydrogen-bonded Turntrans-94.5-12.4179.5-60.5-29.8000114V358V358-D360 PolarHBondContact O-N 2.86Å
361T79.6Confident78Confident53 Ų5367.6 Ų67.633%0.32535%0.346SS..THydrogen-bonded Turntrans-110.8-14.9-172.254.40000114.7R306 L357 V358R306-T361 WeakPolarHBondContact CD-OG1 3.2Å; R306-T361 PolarHBondContact NE-OG1 3.49Å; L357-T361 WeakPolarHBondContact O-CG2 3.44Å; L357-T361 PolarHBondContact O-OG1 3.03Å; V358-T361 PolarHBondContact O-N 3.42Å; V358-T361 VanDerWaalsContact O-N 3.11Å; V358-T361 PolarHBondContact O-OG1 3.19Å
362V84.9Confident76.6Confident10 Ų1075.8 Ų75.86%0.06138%0.382CS..SBendtrans-106.7136.2-179.6179.20000110.2L300 R306 L311 V358 S364L300-V362 HydrophobicContact CB-CG2 4.46Å; L300-V362 HydrophobicContact CD1-CG1 4.14Å; L300-V362 HydrophobicContact CD1-CG2 3.94Å; R306-V362 HydrophobicContact CB-CG2 4.15Å; R306-V362 HydrophobicContact CG-CG2 4.43Å; L311-V362 HydrophobicContact CB-CG1 3.92Å; V358-V362 HydrophobicContact CG1-CB 4.24Å; V358-V362 HydrophobicContact CG1-CG2 3.48Å; V358-V362 VanDerWaalsContact CG1-CG2 3.48Å; V358-V362 PolarHBondContact O-N 2.97Å; V358-V362 VanDerWaalsContact O-N 3.1Å; V362-S364 PolarHBondContact O-N 3.45Å
363H85.4Confident75.1Confident78 Ų7874.9 Ų74.936%0.36138%0.383SS..BIsolated β-bridgetrans-64.9121.7175.6-67.4-79.1000110.2L113 L311 V368L113-H363 HydrophobicContact CD1-CB 3.9Å; L311-H363 PolarHBondContact N-O 2.84Å; H363-V368 HydrophobicContact CB-CG2 4.14Å
364S85.4Confident73.6Confident67 Ų6773.9 Ų73.947%0.46939%0.387SS..  trans-130.14.8179.656.60000114L311 V362L311-S364 VanDerWaalsContact O-CA 3.32Å; L311-S364 WeakPolarHBondContact O-CA 3.3Å; V362-S364 PolarHBondContact O-N 3.45Å
365K84.8Confident72.6Confident132 Ų13283 Ų8357%0.57443%0.43SS*.SBendtrans-77.4154.5177.9-69.2-175.1-177.6178.30110.6W310 F367W310-K365 PolarHBondContact NE1-O 3.04Å; K365-F367 WeakPolarHBondContact CB-O 3.4Å; K365-F367 PolarHBondContact O-N 3.45Å
366P81.4Confident71.3Confident60 Ų6088 Ų8839%0.3946%0.457SS..SBendtrans-68.3-12.1178.227-33.5000113.5A216A216-P366 PolarHBondContact N-O 2.71Å
367F82.6Confident70.6Confident81 Ų8192 Ų9236%0.35548%0.481SS..EExtended strand (participates in β ladder)trans-132.5145.9172.746.5-92.7000109.2P213 V214 K365 Y369P213-F367 HydrophobicContact CB-CB 4.31Å; V214-F367 VanDerWaalsContact O-CA 3.32Å; V214-F367 WeakPolarHBondContact O-CA 3.35Å; K365-F367 WeakPolarHBondContact CB-O 3.4Å; K365-F367 PolarHBondContact O-N 3.45Å; F367-Y369 AromaticContact CD2-CE2 3.83Å; F367-Y369 HydrophobicContact CD2-CE2 3.83Å; F367-Y369 AromaticContact CD2-CZ 3.85Å; F367-Y369 AromaticContact CE2-CE2 3.68Å; F367-Y369 HydrophobicContact CE2-CE2 3.68Å; F367-Y369 AromaticContact CE2-CZ 3.69Å; F367-Y369 VanDerWaalsContact CE2-OH 3.32Å; F367-Y369 WeakPolarHBondContact CE2-OH 3.31Å
368V80.6Confident70.6Confident4 Ų490.7 Ų90.72%0.02448%0.477CS..EExtended strand (participates in β ladder)trans-113.2131.2171.5172.10000107.2L113 V214 W310 H363 G370L113-V368 HydrophobicContact CD1-CB 4.22Å; L113-V368 HydrophobicContact CD1-CG1 3.64Å; L113-V368 HydrophobicContact CD1-CG2 3.64Å; L113-V368 HydrophobicContact CD2-CG1 4.3Å; L113-V368 HydrophobicContact CG-CG1 4.08Å; V214-V368 PolarHBondContact N-O 3.2Å; V214-V368 PolarHBondContact O-N 2.87Å; W310-V368 HydrophobicContact CD2-CG2 3.65Å; W310-V368 HydrophobicContact CE3-CG2 4.14Å; W310-V368 HydrophobicContact CG-CG2 4.04Å; W310-V368 HydrophobicContact CH2-CB 4.38Å; W310-V368 HydrophobicContact CH2-CG2 4.01Å; W310-V368 HydrophobicContact CZ2-CB 4.36Å; W310-V368 HydrophobicContact CZ2-CG2 3.6Å; W310-V368 HydrophobicContact CZ3-CG2 4.3Å; H363-V368 HydrophobicContact CB-CG2 4.14Å; V368-G370 PolarHBondContact O-N 3.34Å
369Y70.9Confident70.5Confident126 Ų12693 Ų9349%0.49449%0.493SS..EExtended strand (participates in β ladder)trans-76.3123.1165.7-61.8-76.5000106.5P211 P213 F367P211-Y369 HydrophobicContact CG-CD1 4.02Å; P211-Y369 HydrophobicContact CG-CG 4.27Å; P213-Y369 HydrophobicContact CB-CD1 4.44Å; P213-Y369 HydrophobicContact CB-CE1 4.28Å; F367-Y369 AromaticContact CD2-CE2 3.83Å; F367-Y369 HydrophobicContact CD2-CE2 3.83Å; F367-Y369 AromaticContact CD2-CZ 3.85Å; F367-Y369 AromaticContact CE2-CE2 3.68Å; F367-Y369 HydrophobicContact CE2-CE2 3.68Å; F367-Y369 AromaticContact CE2-CZ 3.69Å; F367-Y369 VanDerWaalsContact CE2-OH 3.32Å; F367-Y369 WeakPolarHBondContact CE2-OH 3.31Å
370G61.6Low70.8Confident12 Ų1294 Ų9412%0.12450%0.501CS..  trans-51.8154.8168.500000109.7P211 V368 E372P211-G370 WeakPolarHBondContact CB-O 3.35Å; V368-G370 PolarHBondContact O-N 3.34Å; G370-E372 PolarHBondContact O-N 2.91Å
371N57Low71Confident122 Ų12291.9 Ų91.965%0.65249%0.49SS*.  trans-39.3132.9-179.2-72.3-9.3000110.5L373N371-L373 PolarHBondContact O-N 3.44Å
372E52.2Low70.7Confident180 Ų18090.7 Ų90.784%0.84148%0.482SS*.  trans-56.388.1166.4-67.8178-175.900106.4G370G370-E372 PolarHBondContact O-N 2.91Å
373L52.9Low70.3Confident108 Ų10893.3 Ų93.357%0.56549%0.494SS*.  trans-57.3133.9165.1-76.6161.1000104.1N371 E375N371-L373 PolarHBondContact O-N 3.44Å; L373-E375 PolarHBondContact O-N 3.35Å
374P53Low70.2Confident83 Ų8396.9 Ų96.954%0.53950%0.504SS..  trans-47.3145.9171.314.5-23.9000108.2N376P374-N376 PolarHBondContact O-N 2.91Å
375E56.7Low70.1Confident207 Ų20794.4 Ų94.497%0.96749%0.489SS*.SBendtrans-58.454.2178.1-72.6-17514900112.3L373L373-E375 PolarHBondContact O-N 3.35Å
376N56.4Low69.9Low127 Ų12790 Ų9068%0.67947%0.474SS*.  trans-89.3134.2-177.6-73.3-7.2000106P374 V378P374-N376 PolarHBondContact O-N 2.91Å; N376-V378 PolarHBondContact O-N 3.47Å
377S62.9Low70.2Confident112 Ų11292.8 Ų92.878%0.78348%0.48SS*.  trans-42.9133.7172.553.10000111.3S379S377-S379 PolarHBondContact O-N 3.31Å; S377-S379 VanDerWaalsContact O-N 3.17Å
378V69.4Low70.4Confident74 Ų7493.6 Ų93.645%0.44849%0.487SS..  trans-42.2122.5172.2178.30000109.5L208 N376 D382 M383L208-V378 HydrophobicContact CD2-CG1 4.2Å; N376-V378 PolarHBondContact O-N 3.47Å; V378-D382 HydrophobicContact CG1-CB 3.84Å; V378-M383 HydrophobicContact CG1-CE 4.21Å; V378-M383 HydrophobicContact CG1-CG 4.39Å
379S75.9Confident70.7Confident51 Ų5197.1 Ų97.136%0.35750%0.503SS..  trans-76.3153.8-17678.10000110.5S377 N381 D382S377-S379 PolarHBondContact O-N 3.31Å; S377-S379 VanDerWaalsContact O-N 3.17Å; S379-N381 PolarHBondContact O-N 3.49Å; S379-N381 VanDerWaalsContact O-N 3.12Å; S379-N381 PolarHBondContact OG-N 3.3Å; S379-D382 WeakPolarHBondContact CB-OD2 3.44Å; S379-D382 PolarHBondContact N-OD2 2.87Å; S379-D382 WeakPolarHBondContact O-CB 3.21Å; S379-D382 PolarHBondContact O-N 2.86Å; S379-D382 VanDerWaalsContact OG-CG 3.22Å; S379-D382 PolarHBondContact OG-N 2.92Å; S379-D382 PolarHBondContact OG-OD2 2.84Å
380L78.9Confident71.5Confident135 Ų13597.6 Ų97.671%0.70751%0.508SS*.THydrogen-bonded Turntrans-56.7-27171.1-93.9159000112.4D382 M383 R384 F387L380-D382 VanDerWaalsContact C-N 3.31Å; L380-M383 CarbonylContact O-C 3.58Å; L380-M383 PolarHBondContact O-N 3.33Å; L380-R384 PolarHBondContact O-N 2.84Å; L380-F387 HydrophobicContact CD2-CD2 4.49Å; L380-F387 HydrophobicContact CD2-CE2 3.63Å; L380-F387 HydrophobicContact CD2-CZ 3.97Å
381N77.7Confident72.9Confident107 Ų10798.5 Ų98.557%0.57252%0.518SS*.THydrogen-bonded Turntrans-68.9-32.7177.6-157.732.5000111.7S379 M383 R384S379-N381 PolarHBondContact O-N 3.49Å; S379-N381 VanDerWaalsContact O-N 3.12Å; S379-N381 PolarHBondContact OG-N 3.3Å; N381-M383 PolarHBondContact O-N 3.05Å; N381-R384 VanDerWaalsContact O-CB 3.26Å; N381-R384 WeakPolarHBondContact O-CB 3.27Å; N381-R384 PolarHBondContact O-N 3.47Å
382D73.8Confident74.6Confident29 Ų2994.8 Ų94.816%0.15550%0.503CS..THydrogen-bonded Turntrans-66.7-29.3174.2-56.5-49.7000111.1F121 V378 S379 L380F121-D382 VanDerWaalsContact CB-O 3.26Å; F121-D382 WeakPolarHBondContact CB-O 3.29Å; F121-D382 PolarHBondContact N-O 3.2Å; V378-D382 HydrophobicContact CG1-CB 3.84Å; S379-D382 WeakPolarHBondContact CB-OD2 3.44Å; S379-D382 PolarHBondContact N-OD2 2.87Å; S379-D382 WeakPolarHBondContact O-CB 3.21Å; S379-D382 PolarHBondContact O-N 2.86Å; S379-D382 VanDerWaalsContact OG-CG 3.22Å; S379-D382 PolarHBondContact OG-N 2.92Å; S379-D382 PolarHBondContact OG-OD2 2.84Å; L380-D382 VanDerWaalsContact C-N 3.31Å
383M77.8Confident76.4Confident65 Ų6593.3 Ų93.332%0.3250%0.495SS..THydrogen-bonded Turntrans-90.86.6178.4-70.1-84.6177.100114L208 V378 L380 N381 G385 P386 F387L208-M383 HydrophobicContact CD1-CE 3.94Å; L208-M383 HydrophobicContact CD2-CE 4.5Å; V378-M383 HydrophobicContact CG1-CE 4.21Å; V378-M383 HydrophobicContact CG1-CG 4.39Å; L380-M383 CarbonylContact O-C 3.58Å; L380-M383 PolarHBondContact O-N 3.33Å; N381-M383 PolarHBondContact O-N 3.05Å; M383-G385 VanDerWaalsContact C-N 3.29Å; M383-G385 PolarHBondContact O-N 3.25Å; M383-P386 VanDerWaalsContact O-CD 3.23Å; M383-P386 WeakPolarHBondContact O-CD 3.38Å; M383-F387 HydrophobicContact CB-CD2 4.15Å; M383-F387 HydrophobicContact CB-CE2 3.78Å; M383-F387 WeakPolarHBondContact O-CD2 3.34Å
384R83.1Confident78.3Confident153 Ų15393 Ų9358%0.57749%0.493SS*.Hα-helixtrans-57.4-37.9-173.8-176179.1175.9-169.9-1.9113.5L380 N381 F387 I388L380-R384 PolarHBondContact O-N 2.84Å; N381-R384 VanDerWaalsContact O-CB 3.26Å; N381-R384 WeakPolarHBondContact O-CB 3.27Å; N381-R384 PolarHBondContact O-N 3.47Å; R384-F387 PolarHBondContact O-N 3.23Å; R384-I388 HydrophobicContact CG-CD1 3.82Å; R384-I388 HydrophobicContact CG-CG1 4.29Å; R384-I388 WeakPolarHBondContact O-CG1 3.28Å; R384-I388 PolarHBondContact O-N 3.42Å
385G81.6Confident80.3Confident14 Ų1493.4 Ų93.414%0.14449%0.494CS..Hα-helixtrans-56.1-58.5-17900000113.1M383 F387 I388 H389M383-G385 VanDerWaalsContact C-N 3.29Å; M383-G385 PolarHBondContact O-N 3.25Å; G385-F387 VanDerWaalsContact C-N 3.3Å; G385-F387 PolarHBondContact O-N 3.31Å; G385-I388 PolarHBondContact O-N 3.47Å; G385-I388 VanDerWaalsContact O-N 3.15Å; G385-H389 PolarHBondContact O-CD2 3.07Å; G385-H389 VanDerWaalsContact O-CD2 3.23Å; G385-H389 PolarHBondContact O-N 3.37Å
386P82.2Confident82Confident40 Ų4088.2 Ų88.226%0.2647%0.472SS..Hα-helixtrans-50.9-42.5173.2-31.834.3000114.9F121 A123 M383 I388 H389 F390F121-P386 HydrophobicContact CD1-CG 3.47Å; F121-P386 VanDerWaalsContact CD1-CG 3.47Å; F121-P386 HydrophobicContact CE1-CG 3.59Å; A123-P386 HydrophobicContact CB-CG 4.43Å; M383-P386 VanDerWaalsContact O-CD 3.23Å; M383-P386 WeakPolarHBondContact O-CD 3.38Å; P386-I388 PolarHBondContact O-N 3.26Å; P386-H389 PolarHBondContact O-N 3.39Å; P386-F390 WeakPolarHBondContact O-CB 3.39Å; P386-F390 PolarHBondContact O-N 2.93Å
387F86.6Confident83.6Confident119 Ų11984.1 Ų84.152%0.52246%0.46SS..Hα-helixtrans-65.7-38.2178.8-73.3-66.8000112.6L380 M383 R384 G385 F390 G391L380-F387 HydrophobicContact CD2-CD2 4.49Å; L380-F387 HydrophobicContact CD2-CE2 3.63Å; L380-F387 HydrophobicContact CD2-CZ 3.97Å; M383-F387 HydrophobicContact CB-CD2 4.15Å; M383-F387 HydrophobicContact CB-CE2 3.78Å; M383-F387 WeakPolarHBondContact O-CD2 3.34Å; R384-F387 PolarHBondContact O-N 3.23Å; G385-F387 VanDerWaalsContact C-N 3.3Å; G385-F387 PolarHBondContact O-N 3.31Å; F387-F390 PolarHBondContact O-N 2.96Å; F387-G391 PolarHBondContact O-N 2.83Å
388I87.4Confident85Confident98 Ų9882 Ų8250%0.50344%0.444SS..Hα-helixtrans-62.6-46.3173.6-67.9168.7000110.2R384 G385 P386 G391 A392R384-I388 HydrophobicContact CG-CD1 3.82Å; R384-I388 HydrophobicContact CG-CG1 4.29Å; R384-I388 WeakPolarHBondContact O-CG1 3.28Å; R384-I388 PolarHBondContact O-N 3.42Å; G385-I388 PolarHBondContact O-N 3.47Å; G385-I388 VanDerWaalsContact O-N 3.15Å; P386-I388 PolarHBondContact O-N 3.26Å; I388-G391 PolarHBondContact O-N 3.39Å; I388-A392 WeakPolarHBondContact O-CB 3.32Å; I388-A392 PolarHBondContact O-N 3.49Å
389H85.9Confident86.2Confident77 Ų7785.3 Ų85.336%0.35645%0.453SS..Hα-helixtrans-62.4-44.6177.5-74.6-64.1000112.1G385 P386 G391 A392 F393G385-H389 PolarHBondContact O-CD2 3.07Å; G385-H389 VanDerWaalsContact O-CD2 3.23Å; G385-H389 PolarHBondContact O-N 3.37Å; P386-H389 PolarHBondContact O-N 3.39Å; H389-G391 PolarHBondContact O-N 3.45Å; H389-A392 PolarHBondContact O-N 2.93Å; H389-F393 HydrophobicContact CB-CE2 4.39Å; H389-F393 WeakPolarHBondContact O-CD2 3.12Å; H389-F393 PolarHBondContact O-N 2.89Å
390F88.3Confident86.9Confident137 Ų13786.1 Ų86.160%0.60146%0.456SS*.Hα-helixtrans-59.4-46.7176.3179.2-102.9000111.6P386 F387 A392 F393 L394P386-F390 WeakPolarHBondContact O-CB 3.39Å; P386-F390 PolarHBondContact O-N 2.93Å; F387-F390 PolarHBondContact O-N 2.96Å; F390-A392 VanDerWaalsContact C-N 3.34Å; F390-A392 PolarHBondContact O-N 2.96Å; F390-F393 PolarHBondContact O-N 3.16Å; F390-L394 WeakPolarHBondContact O-CB 3.42Å; F390-L394 PolarHBondContact O-N 2.88Å
391G92.3Very high87.3Confident31 Ų3185.2 Ų85.232%0.3245%0.446SS..Hα-helixtrans-59-43.2175.400000112.6F387 I388 H389 L394 T395F387-G391 PolarHBondContact O-N 2.83Å; I388-G391 PolarHBondContact O-N 3.39Å; H389-G391 PolarHBondContact O-N 3.45Å; G391-L394 PolarHBondContact O-N 3.08Å; G391-T395 WeakPolarHBondContact O-CG2 3.34Å; G391-T395 PolarHBondContact O-N 3.45Å; G391-T395 PolarHBondContact O-OG1 2.99Å
392A91.9Very high87.9Confident43 Ų4385.3 Ų85.336%0.35545%0.446SS..Hα-helixtrans-64.8-40.7177.100000112.9I388 H389 F390 T395 I396I388-A392 WeakPolarHBondContact O-CB 3.32Å; I388-A392 PolarHBondContact O-N 3.49Å; H389-A392 PolarHBondContact O-N 2.93Å; F390-A392 VanDerWaalsContact C-N 3.34Å; F390-A392 PolarHBondContact O-N 2.96Å; A392-T395 PolarHBondContact O-OG1 3.24Å; A392-I396 WeakPolarHBondContact O-CD1 3.15Å; A392-I396 VanDerWaalsContact O-CG1 3.27Å; A392-I396 WeakPolarHBondContact O-CG1 3.43Å; A392-I396 PolarHBondContact O-N 3.46Å; A392-I396 VanDerWaalsContact O-N 3.12Å
393F90.1Very high88.8Confident150 Ų15089.5 Ų89.566%0.65846%0.463SS*.Hα-helixtrans-69.3-36.5176.2-74.5-60.6000112.3H389 F390 I396 G397H389-F393 HydrophobicContact CB-CE2 4.39Å; H389-F393 WeakPolarHBondContact O-CD2 3.12Å; H389-F393 PolarHBondContact O-N 2.89Å; F390-F393 PolarHBondContact O-N 3.16Å; F393-I396 PolarHBondContact O-N 2.91Å; F393-G397 PolarHBondContact O-N 2.95Å
394L93Very high89.2Confident100 Ų10091.5 Ų91.552%0.52447%0.472SS..Hα-helixtrans-63.2-43.8175.6-17269.9000111.3F390 G391 G397 C398F390-L394 WeakPolarHBondContact O-CB 3.42Å; F390-L394 PolarHBondContact O-N 2.88Å; G391-L394 PolarHBondContact O-N 3.08Å; L394-G397 PolarHBondContact O-N 3.37Å; L394-C398 PolarHBondContact O-N 3.47Å; L394-C398 PolarHBondContact O-SG 2.87Å; L394-C398 VanDerWaalsContact O-SG 3.33Å
395T93.9Very high89.3Confident92 Ų9289.8 Ų89.856%0.56447%0.468SS*.Hα-helixtrans-66.1-40.7178.453.90000112.3G391 A392 C398 F399G391-T395 WeakPolarHBondContact O-CG2 3.34Å; G391-T395 PolarHBondContact O-N 3.45Å; G391-T395 PolarHBondContact O-OG1 2.99Å; A392-T395 PolarHBondContact O-OG1 3.24Å; T395-C398 PolarHBondContact O-N 2.94Å; T395-F399 WeakPolarHBondContact O-CB 3.35Å; T395-F399 PolarHBondContact O-N 3.4Å
396I93.2Very high89.7Confident99 Ų9993 Ų9351%0.50849%0.485SS..Hα-helixtrans-61.4-46.1173.3-67.2166.2000110.3A392 F393 C398 F399 V400A392-I396 WeakPolarHBondContact O-CD1 3.15Å; A392-I396 VanDerWaalsContact O-CG1 3.27Å; A392-I396 WeakPolarHBondContact O-CG1 3.43Å; A392-I396 PolarHBondContact O-N 3.46Å; A392-I396 VanDerWaalsContact O-N 3.12Å; F393-I396 PolarHBondContact O-N 2.91Å; I396-C398 PolarHBondContact O-N 2.95Å; I396-F399 PolarHBondContact O-N 2.92Å; I396-V400 HydrophobicContact CG2-CG2 4.47Å; I396-V400 WeakPolarHBondContact O-CG2 3.26Å; I396-V400 PolarHBondContact O-N 3.44Å
397G90.3Very high89.9Confident41 Ų4194.5 Ų94.542%0.42349%0.49SS..Hα-helixtrans-59.2-46.1177.500000112.6F393 L394 F399 V400 F401F393-G397 PolarHBondContact O-N 2.95Å; L394-G397 PolarHBondContact O-N 3.37Å; G397-F399 VanDerWaalsContact C-N 3.34Å; G397-F399 PolarHBondContact O-N 3.15Å; G397-V400 PolarHBondContact O-N 3.42Å; G397-F401 WeakPolarHBondContact O-CB 3.32Å; G397-F401 PolarHBondContact O-N 3.48Å
398C92.2Very high89.8Confident67 Ų6792.3 Ų92.345%0.45349%0.486SS..Hα-helixtrans-62.1-40.4174.9-70.50000112.3L394 T395 I396 F401 L402L394-C398 PolarHBondContact O-N 3.47Å; L394-C398 PolarHBondContact O-SG 2.87Å; L394-C398 VanDerWaalsContact O-SG 3.33Å; T395-C398 PolarHBondContact O-N 2.94Å; I396-C398 PolarHBondContact O-N 2.95Å; C398-F401 PolarHBondContact O-N 2.94Å; C398-L402 WeakPolarHBondContact O-CB 3.39Å; C398-L402 VanDerWaalsContact O-CG 3.3Å; C398-L402 WeakPolarHBondContact O-CG 3.33Å; C398-L402 PolarHBondContact O-N 2.96Å
399F93.6Very high89.8Confident143 Ų14391.5 Ų91.563%0.62749%0.486SS*.Hα-helixtrans-63.6-46.3177.9-179.4-96000112T395 I396 G397 F401 L402 F403T395-F399 WeakPolarHBondContact O-CB 3.35Å; T395-F399 PolarHBondContact O-N 3.4Å; I396-F399 PolarHBondContact O-N 2.92Å; G397-F399 VanDerWaalsContact C-N 3.34Å; G397-F399 PolarHBondContact O-N 3.15Å; F399-F401 VanDerWaalsContact C-N 3.34Å; F399-F401 PolarHBondContact O-N 2.87Å; F399-L402 PolarHBondContact O-N 3.02Å; F399-F403 WeakPolarHBondContact O-CB 3.28Å; F399-F403 PolarHBondContact O-N 3.32Å
400V90.2Very high89.6Confident69 Ų6994.1 Ų94.142%0.41850%0.5SS..Hα-helixtrans-60.8-45176.8173.80000110.6I396 G397 L402 F403 E404I396-V400 HydrophobicContact CG2-CG2 4.47Å; I396-V400 WeakPolarHBondContact O-CG2 3.26Å; I396-V400 PolarHBondContact O-N 3.44Å; G397-V400 PolarHBondContact O-N 3.42Å; V400-L402 PolarHBondContact O-N 3.05Å; V400-F403 PolarHBondContact O-N 2.87Å; V400-E404 HydrophobicContact CG1-CG 4.5Å; V400-E404 WeakPolarHBondContact O-CG 3.44Å; V400-E404 PolarHBondContact O-N 3.41Å
401F87.6Confident89.2Confident115 Ų11593.6 Ų93.650%0.50450%0.501SS..Hα-helixtrans-60.5-44.6177.3177.7-100.1000112.7G397 C398 F399 F403 E404 K405G397-F401 WeakPolarHBondContact O-CB 3.32Å; G397-F401 PolarHBondContact O-N 3.48Å; C398-F401 PolarHBondContact O-N 2.94Å; F399-F401 VanDerWaalsContact C-N 3.34Å; F399-F401 PolarHBondContact O-N 2.87Å; F401-F403 VanDerWaalsContact C-N 3.34Å; F401-E404 PolarHBondContact O-N 3.02Å; F401-K405 HydrophobicContact CD1-CG 4.49Å; F401-K405 HydrophobicContact CE1-CG 4.12Å; F401-K405 HydrophobicContact CE2-CG 4.5Å; F401-K405 HydrophobicContact CZ-CD 4.45Å; F401-K405 VanDerWaalsContact CZ-CE 3.44Å; F401-K405 HydrophobicContact CZ-CG 4.14Å; F401-K405 WeakPolarHBondContact O-CG 3.42Å; F401-K405 PolarHBondContact O-N 3Å
402L91.7Very high88.6Confident109 Ų109100 Ų10057%0.57152%0.515SS*.Hα-helixtrans-63.5-42.4176.5-73.2172.1000111.3C398 F399 V400 K405 V406C398-L402 WeakPolarHBondContact O-CB 3.39Å; C398-L402 VanDerWaalsContact O-CG 3.3Å; C398-L402 WeakPolarHBondContact O-CG 3.33Å; C398-L402 PolarHBondContact O-N 2.96Å; F399-L402 PolarHBondContact O-N 3.02Å; V400-L402 PolarHBondContact O-N 3.05Å; L402-K405 PolarHBondContact O-N 2.87Å; L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 3.39Å
403F91.2Very high88Confident118 Ų118102.4 Ų102.452%0.51852%0.521SS..Hα-helixtrans-62.9-43.9177.9-171.8-105.7000112.1F399 V400 F401 K405 V406 I407F399-F403 WeakPolarHBondContact O-CB 3.28Å; F399-F403 PolarHBondContact O-N 3.32Å; V400-F403 PolarHBondContact O-N 2.87Å; F401-F403 VanDerWaalsContact C-N 3.34Å; F403-K405 VanDerWaalsContact C-N 3.34Å; F403-K405 PolarHBondContact O-N 3.31Å; F403-V406 PolarHBondContact O-N 3.28Å; F403-I407 HydrophobicContact CD1-CD1 3.67Å; F403-I407 HydrophobicContact CD1-CG1 4.49Å; F403-I407 HydrophobicContact CE1-CD1 3.26Å; F403-I407 HydrophobicContact CE1-CG1 4.24Å; F403-I407 HydrophobicContact CZ-CD1 3.78Å; F403-I407 HydrophobicContact CZ-CG1 4.42Å; F403-I407 WeakPolarHBondContact O-CG1 3.42Å; F403-I407 PolarHBondContact O-N 2.92Å
404E86.8Confident87.3Confident107 Ų10797.5 Ų97.550%0.551%0.513SS..Hα-helixtrans-59.5-43.5173.6-75.6-177.9175.600111.8V400 F401 V406 I407 V408V400-E404 HydrophobicContact CG1-CG 4.5Å; V400-E404 WeakPolarHBondContact O-CG 3.44Å; V400-E404 PolarHBondContact O-N 3.41Å; F401-E404 PolarHBondContact O-N 3.02Å; E404-V406 PolarHBondContact O-N 3.49Å; E404-I407 PolarHBondContact O-N 3.42Å; E404-V408 VanDerWaalsContact O-CG2 3.29Å; E404-V408 WeakPolarHBondContact O-CG2 3.3Å; E404-V408 PolarHBondContact O-N 3.48Å
405K86Confident86.3Confident117 Ų117100.6 Ų100.651%0.50953%0.525SS..Hα-helixtrans-62.7-41.9176.6-72.3-66.3-177.9-174.30112.1F401 L402 F403 V408 V409F401-K405 HydrophobicContact CD1-CG 4.49Å; F401-K405 HydrophobicContact CE1-CG 4.12Å; F401-K405 HydrophobicContact CE2-CG 4.5Å; F401-K405 HydrophobicContact CZ-CD 4.45Å; F401-K405 VanDerWaalsContact CZ-CE 3.44Å; F401-K405 HydrophobicContact CZ-CG 4.14Å; F401-K405 WeakPolarHBondContact O-CG 3.42Å; F401-K405 PolarHBondContact O-N 3Å; L402-K405 PolarHBondContact O-N 2.87Å; F403-K405 VanDerWaalsContact C-N 3.34Å; F403-K405 PolarHBondContact O-N 3.31Å; K405-V408 PolarHBondContact O-N 2.88Å; K405-V409 WeakPolarHBondContact O-CB 3.43Å; K405-V409 VanDerWaalsContact O-CG2 3.27Å; K405-V409 WeakPolarHBondContact O-CG2 3.2Å; K405-V409 PolarHBondContact O-N 2.88Å
406V89.8Confident85Confident81 Ų81105 Ų10549%0.49154%0.536SS..Hα-helixtrans-62.4-46.4176.3171.90000110.7L402 F403 E404 V408 V409 M410L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 3.39Å; F403-V406 PolarHBondContact O-N 3.28Å; E404-V406 PolarHBondContact O-N 3.49Å; V406-V408 PolarHBondContact O-N 2.89Å; V406-V409 PolarHBondContact O-N 3.5Å; V406-M410 HydrophobicContact CG1-CG 4.3Å; V406-M410 HydrophobicContact CG1-SD 4.12Å; V406-M410 WeakPolarHBondContact O-CG 3.38Å; V406-M410 PolarHBondContact O-N 3.24Å
407I86.8Confident83.4Confident72 Ų72109.6 Ų109.637%0.36956%0.561SS.*Hα-helixtrans-58.7-47.3176.6-71.7173.4000111F403 E404 V409 M410 M411F403-I407 HydrophobicContact CD1-CD1 3.67Å; F403-I407 HydrophobicContact CD1-CG1 4.49Å; F403-I407 HydrophobicContact CE1-CD1 3.26Å; F403-I407 HydrophobicContact CE1-CG1 4.24Å; F403-I407 HydrophobicContact CZ-CD1 3.78Å; F403-I407 HydrophobicContact CZ-CG1 4.42Å; F403-I407 WeakPolarHBondContact O-CG1 3.42Å; F403-I407 PolarHBondContact O-N 2.92Å; E404-I407 PolarHBondContact O-N 3.42Å; I407-V409 VanDerWaalsContact C-N 3.3Å; I407-V409 PolarHBondContact O-N 3.04Å; I407-M410 PolarHBondContact O-N 3.41Å; I407-M411 HydrophobicContact CG2-CG 4.33Å; I407-M411 HydrophobicContact CG2-SD 4.07Å; I407-M411 WeakPolarHBondContact O-CG 3.31Å; I407-M411 PolarHBondContact O-N 2.9Å
408V84.6Confident83Confident73 Ų73113.1 Ų113.144%0.44257%0.568SS.*Hα-helixtrans-61.7-40179.5170.90000111.2E404 K405 V406 R412E404-V408 VanDerWaalsContact O-CG2 3.29Å; E404-V408 WeakPolarHBondContact O-CG2 3.3Å; E404-V408 PolarHBondContact O-N 3.48Å; K405-V408 PolarHBondContact O-N 2.88Å; V406-V408 PolarHBondContact O-N 2.89Å; V408-R412 WeakPolarHBondContact O-CB 3.36Å; V408-R412 PolarHBondContact O-N 2.88Å
409V86.5Confident82.5Confident81 Ų81115.5 Ų115.549%0.49157%0.574SS.*Hα-helixtrans-66.5-44.8176.1170.90000111.2K405 V406 I407 M411 R412 I413K405-V409 WeakPolarHBondContact O-CB 3.43Å; K405-V409 VanDerWaalsContact O-CG2 3.27Å; K405-V409 WeakPolarHBondContact O-CG2 3.2Å; K405-V409 PolarHBondContact O-N 2.88Å; V406-V409 PolarHBondContact O-N 3.5Å; I407-V409 VanDerWaalsContact C-N 3.3Å; I407-V409 PolarHBondContact O-N 3.04Å; V409-M411 PolarHBondContact O-N 2.96Å; V409-R412 PolarHBondContact O-N 3.1Å; V409-I413 HydrophobicContact CG1-CD1 3.86Å; V409-I413 HydrophobicContact CG1-CG1 4.49Å; V409-I413 WeakPolarHBondContact O-CG1 3.38Å; V409-I413 PolarHBondContact O-N 2.92Å
410M81.8Confident81.9Confident131 Ų131113.9 Ų113.965%0.64557%0.571SS**Hα-helixtrans-62.6-41.3177.5-70.4-172.194.300112V406 I407 R412 I413 G414V406-M410 HydrophobicContact CG1-CG 4.3Å; V406-M410 HydrophobicContact CG1-SD 4.12Å; V406-M410 WeakPolarHBondContact O-CG 3.38Å; V406-M410 PolarHBondContact O-N 3.24Å; I407-M410 PolarHBondContact O-N 3.41Å; M410-R412 VanDerWaalsContact C-N 3.33Å; M410-R412 PolarHBondContact O-N 2.85Å; M410-I413 PolarHBondContact O-N 3.46Å; M410-G414 PolarHBondContact O-N 3.43Å
411M80Confident81.4Confident127 Ų127116.6 Ų116.663%0.62658%0.58SS**Hα-helixtrans-61.8-42.1174.3-71.6-175.4116.200111.5I407 V409 I413 G414 E415I407-M411 HydrophobicContact CG2-CG 4.33Å; I407-M411 HydrophobicContact CG2-SD 4.07Å; I407-M411 WeakPolarHBondContact O-CG 3.31Å; I407-M411 PolarHBondContact O-N 2.9Å; V409-M411 PolarHBondContact O-N 2.96Å; M411-I413 VanDerWaalsContact C-N 3.31Å; M411-I413 PolarHBondContact O-N 3.44Å; M411-G414 PolarHBondContact O-N 2.9Å; M411-E415 PolarHBondContact O-N 3.02Å
412R78.9Confident81Confident164 Ų164116.7 Ų116.762%0.61958%0.584SS**Hα-helixtrans-70.7-25.6179.9-149.8-173.5-79.9179.9-9.4113.1V408 V409 M410V408-R412 WeakPolarHBondContact O-CB 3.36Å; V408-R412 PolarHBondContact O-N 2.88Å; V409-R412 PolarHBondContact O-N 3.1Å; M410-R412 VanDerWaalsContact C-N 3.33Å; M410-R412 PolarHBondContact O-N 2.85Å
413I80.4Confident80.3Confident94 Ų94117.2 Ų117.248%0.48259%0.585SS.*Hα-helixtrans-75.7-42.1170.8-67.9167.3000110V409 M410 M411 E415 K416 L417V409-I413 HydrophobicContact CG1-CD1 3.86Å; V409-I413 HydrophobicContact CG1-CG1 4.49Å; V409-I413 WeakPolarHBondContact O-CG1 3.38Å; V409-I413 PolarHBondContact O-N 2.92Å; M410-I413 PolarHBondContact O-N 3.46Å; M411-I413 VanDerWaalsContact C-N 3.31Å; M411-I413 PolarHBondContact O-N 3.44Å; I413-E415 VanDerWaalsContact C-N 3.3Å; I413-E415 PolarHBondContact O-N 3.44Å; I413-K416 PolarHBondContact O-N 2.97Å; I413-L417 HydrophobicContact CG2-CD1 3.94Å; I413-L417 PolarHBondContact O-N 3.3Å
414G73.9Confident79.6Confident47 Ų47117.1 Ų117.149%0.48559%0.59SS.*Hα-helixtrans-65.1-27177.600000114.7M410 M411 K416M410-G414 PolarHBondContact O-N 3.43Å; M411-G414 PolarHBondContact O-N 2.9Å; G414-K416 VanDerWaalsContact C-N 3.33Å
415E72.6Confident79Confident166 Ų166117.9 Ų117.978%0.77660%0.597SS**THydrogen-bonded Turntrans-78.5-14.8171.8-76.8-180164.800113.8M411 I413M411-E415 PolarHBondContact O-N 3.02Å; I413-E415 VanDerWaalsContact C-N 3.3Å; I413-E415 PolarHBondContact O-N 3.44Å
416K67.4Low78.4Confident184 Ų184118 Ų11880%0.860%0.604SS**THydrogen-bonded Turntrans-97.2-14.4179.3-76.9-173.1175.8-170.20113.8I413 G414I413-K416 PolarHBondContact O-N 2.97Å; G414-K416 VanDerWaalsContact C-N 3.33Å
417L58.3Low77.4Confident196 Ų196121.4 Ų121.4100%1.02662%0.615SS**  trans-90.30167.8-92.6125.6000109.1I413I413-L417 HydrophobicContact CG2-CD1 3.94Å; I413-L417 PolarHBondContact O-N 3.3Å

Retrieved 417 of 417 residues in 353.1 ms (Link to these results)

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