A0A077Z5B1_TRITR Loading...

Beta-hexosaminidase

Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines. Degrades chitotriose.

AlphaFold DB , UniProt , Accession A0A077Z5B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M47.4Very low81Confident242 Ų24284.7 Ų84.7100%1.19240%0.404SS*.  0110.60-163.8178.5-93.100105.7
2F58.6Low82.4Confident125 Ų12579.7 Ų79.755%0.54838%0.381SS..PPolyproline II helixtrans-77.2131.6-177.3-64.6-84.3000108.9L482 P483F2-L482 HydrophobicContact CD2-CD2 3.44Å; F2-L482 VanDerWaalsContact CD2-CD2 3.44Å; F2-L482 HydrophobicContact CD2-CG 4.43Å; F2-L482 HydrophobicContact CE2-CD2 3.49Å; F2-L482 VanDerWaalsContact CE2-CD2 3.49Å; F2-L482 HydrophobicContact CG-CD2 4Å; F2-L482 HydrophobicContact CZ-CD2 4.07Å; F2-P483 HydrophobicContact CB-CG 4.41Å; F2-P483 HydrophobicContact CD1-CG 4.36Å
3S69.3Low83.7Confident99 Ų9973.8 Ų73.869%0.69235%0.353SS*.PPolyproline II helixtrans-77.6123.5173.753.40000109.2T5S3-T5 PolarHBondContact O-N 3.07Å
4R77.1Confident84.7Confident198 Ų19871.1 Ų71.175%0.74734%0.34SS*.PPolyproline II helixtrans-55137.8173.5-67.5-178.5-179.6176.8-0.8110
5T80.7Confident85.6Confident56 Ų5675.7 Ų75.734%0.34436%0.358SS..PPolyproline II helixtrans-84.6137.9170.553.70000110.3S3 M8 P483 R484S3-T5 PolarHBondContact O-N 3.07Å; T5-M8 HydrophobicContact CG2-CG 4.21Å; T5-P483 HydrophobicContact CG2-CB 3.84Å; T5-P483 PolarHBondContact N-O 3.35Å; T5-P483 PolarHBondContact OG1-O 2.84Å; T5-R484 HydrophobicContact CG2-CG 4.2Å; T5-R484 WeakPolarHBondContact OG1-CA 3.47Å; T5-R484 VanDerWaalsContact OG1-CG 3.27Å; T5-R484 WeakPolarHBondContact OG1-CG 3.35Å
6Y84.2Confident86.3Confident143 Ų14373.4 Ų73.456%0.56135%0.346SS*.SBendtrans-110.5136.3173.2-63.8-87.1000109.9R141Y6-R141 VanDerWaalsContact O-CZ 3.3Å; Y6-R141 PolarHBondContact O-NE 3.24Å; Y6-R141 PolarHBondContact O-NH2 3.24Å
7G88.1Confident86.9Confident8 Ų876 Ų768%0.08236%0.358CS..SBendtrans69.337.2179.500000112.3Q129 L130 R141G7-Q129 CarbonylContact C-O 3.58Å; G7-Q129 VanDerWaalsContact CA-O 3.23Å; G7-Q129 WeakPolarHBondContact CA-O 3.19Å; G7-L130 WeakPolarHBondContact O-CD2 3.47Å; G7-R141 WeakPolarHBondContact O-CD 3.44Å; G7-R141 PolarHBondContact O-NE 2.76Å
8M94.2Very high87.4Confident45 Ų4576.7 Ų76.722%0.22236%0.364CS..  trans-125.4131.8179.7-74.5-64-62.700108.8T5 M12 F16 R484T5-M8 HydrophobicContact CG2-CG 4.21Å; M8-M12 HydrophobicContact CE-CE 4.3Å; M8-M12 HydrophobicContact CE-SD 4.31Å; M8-F16 HydrophobicContact CE-CD1 4.42Å; M8-F16 HydrophobicContact CE-CE1 3.94Å; M8-F16 HydrophobicContact SD-CE1 3.76Å; M8-F16 HydrophobicContact SD-CZ 4.15Å; M8-R484 HydrophobicContact CB-CG 4Å
9P96.2Very high87.9Confident0 Ų074.6 Ų74.60%036%0.355CS..  trans-77.8153.2-173.630.3-36.6000114.2M12 P13 F16 T126 Q129 R484P9-M12 HydrophobicContact CG-SD 4.27Å; P9-P13 HydrophobicContact CB-CG 4.36Å; P9-P13 HydrophobicContact CG-CG 3.82Å; P9-F16 HydrophobicContact CG-CD2 4.05Å; P9-F16 HydrophobicContact CG-CE2 3.85Å; P9-F16 HydrophobicContact CG-CZ 4.36Å; P9-T126 HydrophobicContact CB-CG2 4.09Å; P9-Q129 VanDerWaalsContact CB-OE1 3.27Å; P9-R484 PolarHBondContact O-NH1 3.25Å; P9-R484 VanDerWaalsContact O-NH1 3.16Å
10W97.5Very high88.1Confident16 Ų1677.7 Ų77.76%0.06137%0.373CS..SBendtrans-133.3128.1163.6-171.3-78.9000109.7Q129 Y419 A463 E467 A481 R484 L485W10-Q129 PolarHBondContact O-NE2 2.67Å; W10-Q129 PolarHBondContact O-OE1 3.02Å; W10-Y419 HydrophobicContact CH2-CD2 4.01Å; W10-Y419 AromaticContact CH2-CE2 3.69Å; W10-Y419 HydrophobicContact CH2-CE2 3.69Å; W10-Y419 HydrophobicContact CZ2-CD2 4.36Å; W10-Y419 HydrophobicContact CZ2-CE2 4.22Å; W10-A463 WeakPolarHBondContact CZ2-O 3.39Å; W10-A463 PolarHBondContact NE1-O 3.22Å; W10-E467 HydrophobicContact CD2-CB 4.45Å; W10-E467 HydrophobicContact CH2-CB 4.1Å; W10-E467 HydrophobicContact CH2-CG 4.4Å; W10-E467 WeakPolarHBondContact CH2-OE1 3.01Å; W10-E467 HydrophobicContact CZ2-CB 3.42Å; W10-E467 VanDerWaalsContact CZ2-CB 3.42Å; W10-E467 HydrophobicContact CZ2-CG 4.17Å; W10-E467 WeakPolarHBondContact CZ3-OE1 3.34Å; W10-A481 HydrophobicContact CH2-CB 4.2Å; W10-A481 HydrophobicContact CZ3-CB 4Å; W10-R484 HydrophobicContact CE3-CB 3.98Å; W10-R484 HydrophobicContact CZ3-CB 4.42Å; W10-L485 HydrophobicContact CD2-CD1 4.11Å; W10-L485 HydrophobicContact CE3-CB 3.94Å; W10-L485 HydrophobicContact CE3-CD1 4.3Å; W10-L485 HydrophobicContact CH2-CB 3.87Å; W10-L485 HydrophobicContact CH2-CD1 4Å; W10-L485 HydrophobicContact CH2-CD2 4.2Å; W10-L485 HydrophobicContact CH2-CG 4.25Å; W10-L485 HydrophobicContact CZ2-CB 4.5Å; W10-L485 HydrophobicContact CZ2-CD1 3.76Å; W10-L485 HydrophobicContact CZ2-CD2 4.5Å; W10-L485 HydrophobicContact CZ2-CG 4.49Å; W10-L485 HydrophobicContact CZ3-CB 3.56Å; W10-L485 HydrophobicContact CZ3-CD1 4.26Å; W10-L485 HydrophobicContact CZ3-CG 4.38Å
11P98.1Very high88.4Confident0 Ų075.2 Ų75.20%036%0.361CS..SBendcis-55.4153.9-16-31.740000114.8P13 K181 E467 W470P11-P13 WeakPolarHBondContact O-CD 3.38Å; P11-K181 HydrophobicContact CG-CB 4.46Å; P11-K181 HydrophobicContact CG-CD 4.44Å; P11-E467 VanDerWaalsContact CA-OE2 3.3Å; P11-E467 WeakPolarHBondContact CA-OE2 3.2Å; P11-E467 HydrophobicContact CB-CB 4.12Å; P11-E467 HydrophobicContact CB-CG 4.25Å; P11-E467 HydrophobicContact CG-CB 4.37Å; P11-W470 HydrophobicContact CB-CB 3.7Å; P11-W470 HydrophobicContact CB-CG 3.72Å; P11-W470 HydrophobicContact CG-CB 3.84Å; P11-W470 HydrophobicContact CG-CG 4.07Å
12M97.7Very high90.5Very high24 Ų2467.7 Ų67.712%0.11833%0.326CS..PPolyproline II helixtrans-66.7125.8174.8-171.563.4178.900111.7M8 P9 F16 E467 S471 Q475M8-M12 HydrophobicContact CE-CE 4.3Å; M8-M12 HydrophobicContact CE-SD 4.31Å; P9-M12 HydrophobicContact CG-SD 4.27Å; M12-F16 HydrophobicContact CE-CB 3.63Å; M12-F16 HydrophobicContact CE-CD1 3.71Å; M12-F16 HydrophobicContact CE-CG 3.84Å; M12-E467 PolarHBondContact N-OE2 3.27Å; M12-S471 PolarHBondContact N-OG 2.93Å; M12-S471 VanDerWaalsContact O-CB 3.27Å; M12-S471 WeakPolarHBondContact O-CB 3.45Å; M12-S471 PolarHBondContact O-OG 3.41Å; M12-Q475 HydrophobicContact CB-CG 4.31Å; M12-Q475 HydrophobicContact CG-CG 4.25Å
13P98.4Very high92Very high4 Ų462.3 Ų62.33%0.02630%0.303CS..PPolyproline II helixtrans-61157.4178.7-29.237.1000114.6P9 P11 K15 F16 T126 V145 D147P9-P13 HydrophobicContact CB-CG 4.36Å; P9-P13 HydrophobicContact CG-CG 3.82Å; P11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-K15 VanDerWaalsContact C-N 3.31Å; P13-K15 PolarHBondContact O-N 3.29Å; P13-F16 HydrophobicContact CB-CB 4.33Å; P13-F16 HydrophobicContact CG-CD2 4.09Å; P13-T126 HydrophobicContact CG-CG2 4.31Å; P13-V145 HydrophobicContact CB-CG1 3.48Å; P13-V145 VanDerWaalsContact CB-CG1 3.48Å; P13-V145 HydrophobicContact CG-CG1 3.58Å; P13-D147 VanDerWaalsContact CA-CG 3.49Å; P13-D147 VanDerWaalsContact CA-OD1 3.25Å; P13-D147 WeakPolarHBondContact CA-OD1 3.49Å; P13-D147 HydrophobicContact CB-CB 3.96Å
14Q98.2Very high93Very high36 Ų3661.8 Ų61.817%0.16830%0.296CS..SBendtrans-58.1-42.8175-62.7-65-21.400112.4D147 Y148 W470Q14-D147 WeakPolarHBondContact CG-OD1 2.95Å; Q14-D147 PolarHBondContact N-OD1 2.83Å; Q14-Y148 HydrophobicContact CB-CD1 4.3Å; Q14-Y148 HydrophobicContact CB-CE1 3.94Å; Q14-Y148 HydrophobicContact CG-CD1 3.88Å; Q14-Y148 HydrophobicContact CG-CD2 3.92Å; Q14-Y148 HydrophobicContact CG-CE1 3.79Å; Q14-Y148 HydrophobicContact CG-CE2 3.81Å; Q14-Y148 HydrophobicContact CG-CG 3.94Å; Q14-Y148 WeakPolarHBondContact CG-O 3.24Å; Q14-Y148 PolarHBondContact NE2-O 3.3Å; Q14-W470 PolarHBondContact NE2-O 3.39Å
15K98.1Very high93.6Very high139 Ų13952.6 Ų52.660%0.60426%0.261SS*.EExtended strand (participates in β ladder)trans-132.5123.5171.5-63.1-177.4179.4-179.60109.1P13 V145 K146P13-K15 VanDerWaalsContact C-N 3.31Å; P13-K15 PolarHBondContact O-N 3.29Å; K15-V145 WeakPolarHBondContact O-CA 3.49Å; K15-K146 HydrophobicContact CB-CB 4.2Å; K15-K146 PolarHBondContact N-O 3.45Å; K15-K146 PolarHBondContact O-N 2.8Å
16F97.1Very high93.9Very high39 Ų3952.1 Ų52.117%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-135.5114.2-179.1-175.3-99.4000108.8M8 P9 M12 P13 L18 L130 A143 V145M8-F16 HydrophobicContact CE-CD1 4.42Å; M8-F16 HydrophobicContact CE-CE1 3.94Å; M8-F16 HydrophobicContact SD-CE1 3.76Å; M8-F16 HydrophobicContact SD-CZ 4.15Å; P9-F16 HydrophobicContact CG-CD2 4.05Å; P9-F16 HydrophobicContact CG-CE2 3.85Å; P9-F16 HydrophobicContact CG-CZ 4.36Å; M12-F16 HydrophobicContact CE-CB 3.63Å; M12-F16 HydrophobicContact CE-CD1 3.71Å; M12-F16 HydrophobicContact CE-CG 3.84Å; P13-F16 HydrophobicContact CB-CB 4.33Å; P13-F16 HydrophobicContact CG-CD2 4.09Å; F16-L18 HydrophobicContact CD1-CD2 4.49Å; F16-L18 HydrophobicContact CD1-CG 4.4Å; F16-L18 HydrophobicContact CE1-CD2 3.43Å; F16-L18 VanDerWaalsContact CE1-CD2 3.43Å; F16-L18 HydrophobicContact CE1-CG 3.72Å; F16-L18 HydrophobicContact CZ-CD2 3.72Å; F16-L18 HydrophobicContact CZ-CG 4.47Å; F16-L130 HydrophobicContact CE2-CD2 3.9Å; F16-L130 HydrophobicContact CZ-CD2 3.94Å; F16-A143 HydrophobicContact CE2-CB 3.77Å; F16-A143 HydrophobicContact CZ-CB 3.9Å; F16-V145 HydrophobicContact CD2-CG2 3.83Å; F16-V145 HydrophobicContact CE2-CG2 4.05Å
17E97.3Very high93.9Very high118 Ų11848.6 Ų48.655%0.55125%0.246SC*.EExtended strand (participates in β ladder)trans-115.6118180178.1-176-163.600108.8A143 N144E17-A143 CarbonylContact O-C 3.51Å; E17-A143 WeakPolarHBondContact O-CA 3.03Å; E17-N144 HydrophobicContact CB-CB 4.31Å; E17-N144 PolarHBondContact N-O 3Å; E17-N144 PolarHBondContact O-N 3.43Å
18L95.5Very high93.7Very high88 Ų8850.5 Ų50.546%0.46126%0.258SS..EExtended strand (participates in β ladder)trans-75.6134.6172.8-72.9177.1000110.2F16 R141F16-L18 HydrophobicContact CD1-CD2 4.49Å; F16-L18 HydrophobicContact CD1-CG 4.4Å; F16-L18 HydrophobicContact CE1-CD2 3.43Å; F16-L18 VanDerWaalsContact CE1-CD2 3.43Å; F16-L18 HydrophobicContact CE1-CG 3.72Å; F16-L18 HydrophobicContact CZ-CD2 3.72Å; F16-L18 HydrophobicContact CZ-CG 4.47Å; L18-R141 VanDerWaalsContact CD2-CD 3.47Å; L18-R141 HydrophobicContact CD2-CG 4.1Å
19L95.6Very high93.2Very high38 Ų3851.2 Ų51.220%0.19926%0.262CS..EExtended strand (participates in β ladder)trans-94.5160.5174.1-54.1176.3000110F21 M104 G142L19-F21 HydrophobicContact CB-CD1 3.9Å; L19-F21 HydrophobicContact CB-CE1 3.64Å; L19-F21 HydrophobicContact CB-CZ 4.16Å; L19-F21 HydrophobicContact CD1-CE1 3.59Å; L19-F21 HydrophobicContact CD1-CE2 4.37Å; L19-F21 HydrophobicContact CD1-CZ 3.43Å; L19-F21 VanDerWaalsContact CD1-CZ 3.43Å; L19-F21 HydrophobicContact CG-CE1 4.16Å; L19-F21 HydrophobicContact CG-CZ 4.41Å; L19-F21 PolarHBondContact O-N 2.88Å; L19-M104 HydrophobicContact CD1-CB 4.03Å; L19-M104 WeakPolarHBondContact CD1-O 3.5Å; L19-G142 PolarHBondContact N-O 2.75Å
20D93.6Very high92.9Very high135 Ų13552.3 Ų52.372%0.72227%0.267SS*.EExtended strand (participates in β ladder)trans-85.420.3-177.669.6-35000113.2R106D20-R106 IonicContact OD1-CZ 3.95Å; D20-R106 IonicContact OD1-NH2 3.55Å; D20-R106 PolarHBondContact OD1-NH2 2.93Å; D20-R106 IonicContact OD2-NH2 2.74Å; D20-R106 PolarHBondContact OD2-NH2 3.12Å
21F92.9Very high92.5Very high26 Ų2655.9 Ų55.911%0.11428%0.284CS..EExtended strand (participates in β ladder)trans-143.8155.817964.9-91000111.5L19 L23 R106 G142L19-F21 HydrophobicContact CB-CD1 3.9Å; L19-F21 HydrophobicContact CB-CE1 3.64Å; L19-F21 HydrophobicContact CB-CZ 4.16Å; L19-F21 HydrophobicContact CD1-CE1 3.59Å; L19-F21 HydrophobicContact CD1-CE2 4.37Å; L19-F21 HydrophobicContact CD1-CZ 3.43Å; L19-F21 VanDerWaalsContact CD1-CZ 3.43Å; L19-F21 HydrophobicContact CG-CE1 4.16Å; L19-F21 HydrophobicContact CG-CZ 4.41Å; L19-F21 PolarHBondContact O-N 2.88Å; F21-L23 HydrophobicContact CD2-CD2 4.05Å; F21-L23 HydrophobicContact CD2-CG 4.15Å; F21-L23 HydrophobicContact CE2-CD1 4.31Å; F21-L23 HydrophobicContact CE2-CD2 4.04Å; F21-L23 HydrophobicContact CE2-CG 4.04Å; F21-R106 HydrophobicContact CD1-CB 4.25Å; F21-R106 HydrophobicContact CE1-CB 4.11Å; F21-R106 HydrophobicContact CE2-CB 4.48Å; F21-R106 HydrophobicContact CG-CB 4.5Å; F21-R106 HydrophobicContact CG-CG 4.47Å; F21-R106 HydrophobicContact CZ-CB 4.24Å; F21-G142 WeakPolarHBondContact O-CA 3.35Å; F21-G142 PolarHBondContact O-N 3.04Å; F21-G142 VanDerWaalsContact O-N 3.08Å
22N92.2Very high92.2Very high85 Ų8559.2 Ų59.246%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-116158.8166.1-63.5-28000108.5V139 V140 R141N22-V139 HydrophobicContact CB-CB 4.3Å; N22-V139 HydrophobicContact CB-CG2 4.43Å; N22-V140 WeakPolarHBondContact CA-O 3.25Å; N22-R141 WeakPolarHBondContact OD1-CA 3.5Å
23L91.1Very high92Very high12 Ų1262.6 Ų62.66%0.06332%0.319CS..EExtended strand (participates in β ladder)trans-112.9129.3178.1-65.9173.5000109.1F21 L78 I110 V139 V140F21-L23 HydrophobicContact CD2-CD2 4.05Å; F21-L23 HydrophobicContact CD2-CG 4.15Å; F21-L23 HydrophobicContact CE2-CD1 4.31Å; F21-L23 HydrophobicContact CE2-CD2 4.04Å; F21-L23 HydrophobicContact CE2-CG 4.04Å; L23-L78 HydrophobicContact CB-CD1 4.13Å; L23-L78 HydrophobicContact CB-CD2 3.9Å; L23-L78 HydrophobicContact CD1-CD2 3.93Å; L23-L78 HydrophobicContact CD2-CD2 4.1Å; L23-L78 HydrophobicContact CG-CD2 4.18Å; L23-I110 HydrophobicContact CD1-CD1 4.12Å; L23-I110 HydrophobicContact CD1-CG1 4.08Å; L23-V139 CarbonylContact O-C 3.56Å; L23-V139 VanDerWaalsContact O-CA 3.22Å; L23-V139 WeakPolarHBondContact O-CA 3.44Å; L23-V140 HydrophobicContact CB-CB 4.36Å; L23-V140 PolarHBondContact N-O 3.1Å; L23-V140 PolarHBondContact O-N 3.11Å
24T90.3Very high91.7Very high88 Ų8864.3 Ų64.354%0.5433%0.331SS..EExtended strand (participates in β ladder)trans-66.5132.2174.3-63.30000110.2T26 L78 V137T24-T26 HydrophobicContact CG2-CG2 4.35Å; T24-L78 WeakPolarHBondContact O-CD1 3.26Å; T24-V137 HydrophobicContact CG2-CG1 3.53Å
25L89.5Confident91.5Very high5 Ų566.9 Ų66.93%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-116.2118.7-177.4-174.366.6000110.9F30 V52 F53 L78 V131 D138 V140L25-F30 HydrophobicContact CD1-CB 4.21Å; L25-F30 HydrophobicContact CD1-CD2 3.7Å; L25-F30 HydrophobicContact CD1-CE2 4.26Å; L25-F30 HydrophobicContact CD1-CG 4.02Å; L25-V52 HydrophobicContact CD2-CG1 3.59Å; L25-F53 HydrophobicContact CD1-CE1 4.15Å; L25-F53 HydrophobicContact CD1-CZ 3.97Å; L25-F53 HydrophobicContact CD2-CE1 4.35Å; L25-F53 HydrophobicContact CG-CE1 3.94Å; L25-F53 HydrophobicContact CG-CZ 4.25Å; L25-L78 HydrophobicContact CD1-CD1 3.94Å; L25-V131 HydrophobicContact CD2-CB 4.47Å; L25-V131 HydrophobicContact CD2-CG1 3.7Å; L25-V131 HydrophobicContact CD2-CG2 3.91Å; L25-D138 HydrophobicContact CB-CB 4.43Å; L25-D138 PolarHBondContact N-O 3.26Å; L25-V140 HydrophobicContact CB-CG2 4.13Å; L25-V140 HydrophobicContact CD1-CG2 4.14Å; L25-V140 HydrophobicContact CD2-CG2 3.96Å; L25-V140 HydrophobicContact CG-CG2 4.31Å
26T86.3Confident91Very high45 Ų4564 Ų6428%0.27633%0.331SS..  trans-134.4144.7174.554.50000108.2T24 C28 D29 F30T24-T26 HydrophobicContact CG2-CG2 4.35Å; T26-C28 VanDerWaalsContact C-N 3.26Å; T26-C28 PolarHBondContact O-N 3.05Å; T26-D29 PolarHBondContact O-N 3.07Å; T26-D29 VanDerWaalsContact OG1-CB 3.27Å; T26-D29 WeakPolarHBondContact OG1-CB 3.13Å; T26-D29 VanDerWaalsContact OG1-CG 3.27Å; T26-D29 PolarHBondContact OG1-OD2 3.22Å; T26-F30 WeakPolarHBondContact O-CB 3.39Å; T26-F30 PolarHBondContact O-N 2.61Å
27K84.5Confident90.5Very high69 Ų6966.3 Ų66.330%0.336%0.358SS..G310 helixtrans-60.4-36.7-177.7-174.7178.8-17678.90112.9D49 F53 E56K27-D49 VanDerWaalsContact NZ-CG 3.28Å; K27-D49 IonicContact NZ-OD1 2.66Å; K27-D49 PolarHBondContact NZ-OD1 3.47Å; K27-D49 IonicContact NZ-OD2 3.67Å; K27-D49 PolarHBondContact NZ-OD2 3.22Å; K27-F53 VanDerWaalsContact CA-CE1 3.49Å; K27-F53 HydrophobicContact CB-CD1 3.66Å; K27-F53 HydrophobicContact CB-CE1 3.96Å; K27-F53 HydrophobicContact CB-CG 4.03Å; K27-F53 HydrophobicContact CD-CB 4.21Å; K27-F53 HydrophobicContact CD-CG 4.41Å; K27-F53 HydrophobicContact CG-CB 4.42Å; K27-F53 HydrophobicContact CG-CD1 4.22Å; K27-F53 HydrophobicContact CG-CD2 4.34Å; K27-F53 HydrophobicContact CG-CG 4.07Å; K27-E56 WeakPolarHBondContact CB-OE2 3.33Å
28C83.2Confident90.4Very high49 Ų4961.6 Ų61.633%0.33134%0.338SS..G310 helixtrans-77-20-175.8-65.90000114.4T26 C65T26-C28 VanDerWaalsContact C-N 3.26Å; T26-C28 PolarHBondContact O-N 3.05Å; C28-C65 WeakPolarHBondContact CA-SG 3.3Å; C28-C65 HydrophobicContact CB-CB 3.75Å; C28-C65 WeakPolarHBondContact CB-SG 2.95Å; C28-C65 WeakPolarHBondContact SG-CA 3.41Å; C28-C65 WeakPolarHBondContact SG-CB 3.4Å; C28-C65 CovalentContact SG-SG 2.05Å; C28-C65 PolarHBondContact SG-SG 2.99Å
29D84.6Confident90.4Very high59 Ų5961.4 Ų61.432%0.31634%0.337SS..G310 helixtrans-108.37.4-178.5-48.3-48.7000112.3T26 L78T26-D29 PolarHBondContact O-N 3.07Å; T26-D29 VanDerWaalsContact OG1-CB 3.27Å; T26-D29 WeakPolarHBondContact OG1-CB 3.13Å; T26-D29 VanDerWaalsContact OG1-CG 3.27Å; T26-D29 PolarHBondContact OG1-OD2 3.22Å; D29-L78 PolarHBondContact O-N 3.13Å
30F88.9Confident90.5Very high24 Ų2459.6 Ų59.611%0.10533%0.328CS..EExtended strand (participates in β ladder)trans-104.7110.6178-173.3-107.1000111.1L25 T26 I32 F53 L78 F80 I110 F127L25-F30 HydrophobicContact CD1-CB 4.21Å; L25-F30 HydrophobicContact CD1-CD2 3.7Å; L25-F30 HydrophobicContact CD1-CE2 4.26Å; L25-F30 HydrophobicContact CD1-CG 4.02Å; T26-F30 WeakPolarHBondContact O-CB 3.39Å; T26-F30 PolarHBondContact O-N 2.61Å; F30-I32 HydrophobicContact CD1-CD1 4.46Å; F30-I32 HydrophobicContact CD1-CG1 4.05Å; F30-I32 HydrophobicContact CE1-CD1 3.72Å; F30-I32 HydrophobicContact CE1-CG1 3.47Å; F30-I32 VanDerWaalsContact CE1-CG1 3.47Å; F30-I32 HydrophobicContact CZ-CG1 4.13Å; F30-F53 HydrophobicContact CB-CZ 3.85Å; F30-F53 AromaticContact CD1-CE2 3.78Å; F30-F53 HydrophobicContact CD1-CE2 3.78Å; F30-F53 AromaticContact CD1-CZ 3.72Å; F30-F53 HydrophobicContact CD1-CZ 3.72Å; F30-F53 HydrophobicContact CE1-CE2 4.36Å; F30-F53 HydrophobicContact CE1-CZ 4.5Å; F30-F53 HydrophobicContact CG-CE2 4.44Å; F30-F53 AromaticContact CG-CZ 3.92Å; F30-F53 HydrophobicContact CG-CZ 3.92Å; F30-L78 HydrophobicContact CD2-CB 3.83Å; F30-L78 HydrophobicContact CD2-CD1 4.32Å; F30-F80 HydrophobicContact CE1-CB 4.42Å; F30-F80 HydrophobicContact CE2-CB 3.74Å; F30-F80 HydrophobicContact CE2-CD2 4.2Å; F30-F80 HydrophobicContact CE2-CG 4.33Å; F30-F80 HydrophobicContact CZ-CB 3.54Å; F30-F80 AromaticContact CZ-CD2 3.93Å; F30-F80 HydrophobicContact CZ-CD2 3.93Å; F30-F80 AromaticContact CZ-CG 3.88Å; F30-F80 HydrophobicContact CZ-CG 3.88Å; F30-I110 HydrophobicContact CE2-CD1 4.49Å; F30-F127 HydrophobicContact CE2-CE1 4.18Å; F30-F127 AromaticContact CE2-CZ 3.79Å; F30-F127 HydrophobicContact CE2-CZ 3.79Å; F30-F127 AromaticContact CZ-CE1 3.75Å; F30-F127 HydrophobicContact CZ-CE1 3.75Å; F30-F127 AromaticContact CZ-CZ 3.84Å; F30-F127 HydrophobicContact CZ-CZ 3.84Å
31H89.9Confident90.6Very high90 Ų9053.3 Ų53.342%0.41729%0.294SS..EExtended strand (participates in β ladder)trans-111.7125.4179.2-63.7-60.7000111.2L77 L78 T79 F80H31-L77 WeakPolarHBondContact NE2-CD2 3.49Å; H31-L78 PolarHBondContact N-O 3.2Å; H31-T79 CarbonylContact O-C 3.46Å; H31-T79 WeakPolarHBondContact O-CA 3.2Å; H31-F80 PolarHBondContact O-N 3.23Å
32I91.7Very high90.7Very high70 Ų7055.2 Ų55.236%0.35931%0.308SS..EExtended strand (participates in β ladder)trans-97.4127.9173.2-52.7179.8000108.7F30 L45 F80 I82F30-I32 HydrophobicContact CD1-CD1 4.46Å; F30-I32 HydrophobicContact CD1-CG1 4.05Å; F30-I32 HydrophobicContact CE1-CD1 3.72Å; F30-I32 HydrophobicContact CE1-CG1 3.47Å; F30-I32 VanDerWaalsContact CE1-CG1 3.47Å; F30-I32 HydrophobicContact CZ-CG1 4.13Å; I32-L45 HydrophobicContact CD1-CD2 3.8Å; I32-L45 HydrophobicContact CG2-CD1 4.29Å; I32-L45 HydrophobicContact CG2-CD2 3.88Å; I32-F80 CarbonylContact C-O 3.33Å; I32-F80 WeakPolarHBondContact CA-O 3.17Å; I32-F80 HydrophobicContact CG1-CB 4.37Å; I32-F80 HydrophobicContact CG2-CD1 4.37Å; I32-I82 HydrophobicContact CG2-CD1 4.03Å
33I92.7Very high90.9Very high96 Ų9653.4 Ų53.449%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-122.5138.5173.6-54.5175.6000106.9T79 F80 E81 I82I33-T79 HydrophobicContact CD1-CG2 3.72Å; I33-T79 HydrophobicContact CG1-CG2 4.3Å; I33-F80 PolarHBondContact N-O 3.24Å; I33-E81 CarbonylContact O-C 3.51Å; I33-E81 VanDerWaalsContact O-CA 3.32Å; I33-E81 WeakPolarHBondContact O-CA 3.05Å; I33-I82 PolarHBondContact O-N 2.77Å
34S93.2Very high91.1Very high39 Ų3952.8 Ų52.827%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-131.4139.5175-176.60000110.1Y36 I82S34-Y36 WeakPolarHBondContact CB-O 3.32Å; S34-Y36 PolarHBondContact O-N 3.06Å; S34-Y36 PolarHBondContact OG-N 3.12Å; S34-Y36 PolarHBondContact OG-O 3.24Å; S34-I82 WeakPolarHBondContact CA-O 3.22Å
35N93.8Very high91.4Very high90 Ų9050.5 Ų50.548%0.48128%0.278SS..SBendtrans-74-10.5172.276.4-36.5000112.8I82 V83 V84N35-I82 PolarHBondContact N-O 3.15Å; N35-I82 PolarHBondContact OD1-O 2.65Å; N35-V83 WeakPolarHBondContact OD1-CA 3.17Å; N35-V84 PolarHBondContact ND2-O 2.86Å; N35-V84 PolarHBondContact OD1-N 3.35Å
36Y86.6Confident91.6Very high79 Ų7956.3 Ų56.331%0.3131%0.305SS..  trans-138.7141.6-176.4-159.1-96000110.9S34 C38 P87 C88S34-Y36 WeakPolarHBondContact CB-O 3.32Å; S34-Y36 PolarHBondContact O-N 3.06Å; S34-Y36 PolarHBondContact OG-N 3.12Å; S34-Y36 PolarHBondContact OG-O 3.24Å; Y36-C38 HydrophobicContact CD1-CB 4.19Å; Y36-C38 HydrophobicContact CE1-CB 3.79Å; Y36-P87 HydrophobicContact CE2-CB 4.23Å; Y36-P87 WeakPolarHBondContact OH-CA 3.21Å; Y36-P87 WeakPolarHBondContact OH-CB 3.48Å; Y36-C88 WeakPolarHBondContact CD1-SG 3.25Å; Y36-C88 HydrophobicContact CE1-CB 3.74Å; Y36-C88 WeakPolarHBondContact CE1-SG 3.5Å; Y36-C88 PolarHBondContact OH-N 3.05Å
37A87.4Confident92Very high88 Ų8856.1 Ų56.173%0.72730%0.299SS*.  trans-121.9124.3174.800000109.2
38C94.2Very high92.4Very high18 Ų1853.4 Ų53.412%0.12229%0.287CS..  trans-150.9160.3170.270.80000109.9Y36 I40 L41 T42 C88Y36-C38 HydrophobicContact CD1-CB 4.19Å; Y36-C38 HydrophobicContact CE1-CB 3.79Å; C38-I40 VanDerWaalsContact C-N 3.26Å; C38-I40 PolarHBondContact O-N 3.32Å; C38-L41 PolarHBondContact O-N 3.26Å; C38-L41 VanDerWaalsContact O-N 3.08Å; C38-T42 PolarHBondContact O-N 3.04Å; C38-T42 PolarHBondContact O-OG1 2.83Å; C38-T42 VanDerWaalsContact O-OG1 3.07Å; C38-C88 HydrophobicContact CB-CB 3.59Å; C38-C88 WeakPolarHBondContact CB-SG 3.47Å; C38-C88 WeakPolarHBondContact SG-CB 3.4Å; C38-C88 CovalentContact SG-SG 2.05Å; C38-C88 PolarHBondContact SG-SG 2.8Å
39D96.4Very high92.8Very high85 Ų8553.4 Ų53.446%0.45528%0.284SS..Hα-helixtrans-48.7-42.6177.753.8-0000114T42 H43 R230D39-T42 PolarHBondContact O-N 3.41Å; D39-H43 VanDerWaalsContact O-CB 3.31Å; D39-H43 WeakPolarHBondContact O-CB 3.27Å; D39-H43 PolarHBondContact O-N 3.45Å; D39-R230 VanDerWaalsContact CG-NH2 3.28Å; D39-R230 IonicContact OD1-NH1 2.75Å; D39-R230 IonicContact OD1-NH2 3.32Å; D39-R230 IonicContact OD2-CZ 3.66Å; D39-R230 IonicContact OD2-NH1 3.76Å; D39-R230 IonicContact OD2-NH2 3.48Å; D39-R230 PolarHBondContact OD2-NH2 2.83Å
40I97Very high93.1Very high0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-58.7-50.9176.7-64.4161.2000111.1C38 A44 C88 V117 W118 L121 L231C38-I40 VanDerWaalsContact C-N 3.26Å; C38-I40 PolarHBondContact O-N 3.32Å; I40-A44 WeakPolarHBondContact O-CB 3.34Å; I40-A44 PolarHBondContact O-N 3.07Å; I40-A44 VanDerWaalsContact O-N 3.1Å; I40-C88 HydrophobicContact CD1-CB 4.48Å; I40-V117 HydrophobicContact CB-CG2 4.22Å; I40-V117 HydrophobicContact CD1-CG1 4.12Å; I40-V117 HydrophobicContact CG2-CG1 4.42Å; I40-V117 HydrophobicContact CG2-CG2 3.69Å; I40-W118 HydrophobicContact CD1-CH2 3.6Å; I40-W118 HydrophobicContact CD1-CZ3 3.78Å; I40-W118 HydrophobicContact CG1-CZ3 4.48Å; I40-W118 HydrophobicContact CG2-CZ3 4.23Å; I40-L121 HydrophobicContact CG2-CD1 3.84Å; I40-L121 HydrophobicContact CG2-CD2 3.94Å; I40-L121 HydrophobicContact CG2-CG 4.17Å; I40-L231 HydrophobicContact CG1-CD2 4.34Å
41L95.6Very high93.2Very high2 Ų254.6 Ų54.61%0.0130%0.297CS..Hα-helixtrans-68.8-41.8179.7-75.4177.8000111.3C38 H43 A44 L45 V84 V117 A120C38-L41 PolarHBondContact O-N 3.26Å; C38-L41 VanDerWaalsContact O-N 3.08Å; L41-H43 VanDerWaalsContact C-N 3.34Å; L41-H43 PolarHBondContact O-N 3.03Å; L41-A44 PolarHBondContact O-N 3.13Å; L41-L45 WeakPolarHBondContact O-CB 2.88Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 2.64Å; L41-V84 HydrophobicContact CD1-CG2 4.16Å; L41-V117 HydrophobicContact CD1-CG2 4.29Å; L41-V117 HydrophobicContact CD2-CG2 3.69Å; L41-V117 HydrophobicContact CG-CG2 3.6Å; L41-A120 HydrophobicContact CD2-CB 4.08Å
42T95.7Very high93.1Very high66 Ų6650.6 Ų50.641%0.40528%0.279SS..Hα-helixtrans-57.4-49.3177.4-59.30000110.8C38 D39 A44 L45 E46C38-T42 PolarHBondContact O-N 3.04Å; C38-T42 PolarHBondContact O-OG1 2.83Å; C38-T42 VanDerWaalsContact O-OG1 3.07Å; D39-T42 PolarHBondContact O-N 3.41Å; T42-A44 PolarHBondContact O-N 2.95Å; T42-L45 PolarHBondContact O-N 3.41Å; T42-E46 WeakPolarHBondContact O-CG 3.43Å; T42-E46 PolarHBondContact O-N 3.34Å
43H96.1Very high92.9Very high47 Ų4747.7 Ų47.722%0.21826%0.264CS..Hα-helixtrans-58.7-47.9177.6-176.775000112D39 L41 L45 E46 Y47 L231 W232D39-H43 VanDerWaalsContact O-CB 3.31Å; D39-H43 WeakPolarHBondContact O-CB 3.27Å; D39-H43 PolarHBondContact O-N 3.45Å; L41-H43 VanDerWaalsContact C-N 3.34Å; L41-H43 PolarHBondContact O-N 3.03Å; H43-L45 PolarHBondContact O-N 3.46Å; H43-E46 PolarHBondContact O-N 3.21Å; H43-Y47 PolarHBondContact O-N 2.95Å; H43-L231 HydrophobicContact CB-CD1 4.43Å; H43-L231 HydrophobicContact CB-CD2 4.23Å; H43-W232 AromaticContact NE2-CE2 3.73Å; H43-W232 AromaticContact NE2-CZ2 3.6Å; H43-W232 AromaticContact NE2-NE1 3.81Å
44A96.3Very high92.1Very high0 Ų044.4 Ų44.40%025%0.253CS..Hα-helixtrans-62.9-41.1178.800000112.3I40 L41 T42 Y47 Y48 L121 L124I40-A44 WeakPolarHBondContact O-CB 3.34Å; I40-A44 PolarHBondContact O-N 3.07Å; I40-A44 VanDerWaalsContact O-N 3.1Å; L41-A44 PolarHBondContact O-N 3.13Å; T42-A44 PolarHBondContact O-N 2.95Å; A44-Y47 PolarHBondContact O-N 2.83Å; A44-Y48 HydrophobicContact CB-CD2 4.43Å; A44-Y48 WeakPolarHBondContact O-CD2 3.45Å; A44-Y48 PolarHBondContact O-N 3.19Å; A44-L121 HydrophobicContact CB-CD2 3.38Å; A44-L124 HydrophobicContact CB-CD1 4.02Å
45L95Very high90.7Very high40 Ų4050.4 Ų50.421%0.20927%0.27CS..Hα-helixtrans-66-41.1178.9-72.1177.4000112.3I32 L41 T42 H43 Y47 Y48 D49 I82 L124I32-L45 HydrophobicContact CD1-CD2 3.8Å; I32-L45 HydrophobicContact CG2-CD1 4.29Å; I32-L45 HydrophobicContact CG2-CD2 3.88Å; L41-L45 WeakPolarHBondContact O-CB 2.88Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 2.64Å; T42-L45 PolarHBondContact O-N 3.41Å; H43-L45 PolarHBondContact O-N 3.46Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-Y48 PolarHBondContact O-N 2.99Å; L45-D49 WeakPolarHBondContact O-CB 3.31Å; L45-D49 PolarHBondContact O-N 3.35Å; L45-I82 HydrophobicContact CD1-CD1 4.47Å; L45-I82 HydrophobicContact CD2-CD1 3.71Å; L45-I82 HydrophobicContact CG-CD1 4.49Å; L45-L124 HydrophobicContact CD2-CD1 4.3Å; L45-L124 HydrophobicContact CD2-CD2 4.21Å
46E93.9Very high88.9Confident127 Ų12750 Ų5059%0.59327%0.265SS*.Hα-helixtrans-60.9-43.9173.6-72.9174.9176.800111.5T42 H43 S50T42-E46 WeakPolarHBondContact O-CG 3.43Å; T42-E46 PolarHBondContact O-N 3.34Å; H43-E46 PolarHBondContact O-N 3.21Å; E46-S50 PolarHBondContact O-N 3.39Å
47Y94.5Very high87.2Confident40 Ų4053.4 Ų53.416%0.15728%0.282CS..Hα-helixtrans-62.8-53.2176.1179.2-97.6000112.1H43 A44 L45 D49 S50 V51 E175 Q179 W232H43-Y47 PolarHBondContact O-N 2.95Å; A44-Y47 PolarHBondContact O-N 2.83Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; Y47-D49 VanDerWaalsContact C-N 3.31Å; Y47-D49 PolarHBondContact O-N 3.46Å; Y47-S50 CarbonylContact O-C 3.46Å; Y47-S50 WeakPolarHBondContact O-CA 3.23Å; Y47-S50 WeakPolarHBondContact O-CB 3.47Å; Y47-S50 PolarHBondContact O-N 3.17Å; Y47-S50 PolarHBondContact O-OG 2.86Å; Y47-V51 HydrophobicContact CD1-CG2 3.75Å; Y47-V51 HydrophobicContact CE1-CG2 3.32Å; Y47-V51 HydrophobicContact CE2-CG2 4.27Å; Y47-V51 HydrophobicContact CG-CG2 4.41Å; Y47-V51 PolarHBondContact O-N 3.49Å; Y47-E175 HydrophobicContact CE2-CG 4.09Å; Y47-E175 WeakPolarHBondContact CE2-OE1 3.42Å; Y47-E175 VanDerWaalsContact CZ-OE1 3.27Å; Y47-E175 PolarHBondContact OH-OE1 3.42Å; Y47-Q179 PolarHBondContact OH-NE2 3.29Å; Y47-W232 AromaticContact CD1-CH2 3.54Å; Y47-W232 HydrophobicContact CD1-CH2 3.54Å; Y47-W232 HydrophobicContact CD1-CZ2 4.48Å; Y47-W232 HydrophobicContact CD1-CZ3 4.27Å; Y47-W232 AromaticContact CD2-CH2 3.9Å; Y47-W232 HydrophobicContact CD2-CH2 3.9Å; Y47-W232 HydrophobicContact CD2-CZ2 4.08Å; Y47-W232 AromaticContact CE1-CH2 3.94Å; Y47-W232 HydrophobicContact CE1-CH2 3.94Å; Y47-W232 HydrophobicContact CE2-CH2 4.29Å; Y47-W232 HydrophobicContact CE2-CZ2 4.4Å; Y47-W232 AromaticContact CG-CH2 3.49Å; Y47-W232 HydrophobicContact CG-CH2 3.49Å; Y47-W232 VanDerWaalsContact CG-CH2 3.49Å; Y47-W232 HydrophobicContact CG-CZ2 4.11Å
48Y94.1Very high85.5Confident13 Ų1358.3 Ų58.35%0.05129%0.287CS..Hα-helixtrans-68.6-26.6-177.3-75.1-65.5000112.8A44 L45 S50 V51 V52 L124 E125A44-Y48 HydrophobicContact CB-CD2 4.43Å; A44-Y48 WeakPolarHBondContact O-CD2 3.45Å; A44-Y48 PolarHBondContact O-N 3.19Å; L45-Y48 PolarHBondContact O-N 2.99Å; Y48-S50 VanDerWaalsContact C-N 3.28Å; Y48-S50 PolarHBondContact O-N 3.47Å; Y48-V51 HydrophobicContact CD1-CB 4.38Å; Y48-V51 PolarHBondContact O-N 3.13Å; Y48-V52 WeakPolarHBondContact O-CB 3.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.37Å; Y48-V52 PolarHBondContact O-N 3.29Å; Y48-L124 HydrophobicContact CD2-CB 3.61Å; Y48-L124 HydrophobicContact CD2-CD1 4.18Å; Y48-L124 HydrophobicContact CD2-CG 4.39Å; Y48-L124 HydrophobicContact CE2-CB 3.55Å; Y48-L124 HydrophobicContact CE2-CD1 4.48Å; Y48-L124 HydrophobicContact CG-CB 4.35Å; Y48-E125 VanDerWaalsContact CE1-OE2 3.27Å; Y48-E125 WeakPolarHBondContact CE1-OE2 3.24Å; Y48-E125 VanDerWaalsContact OH-CA 3.24Å; Y48-E125 WeakPolarHBondContact OH-CA 3.4Å; Y48-E125 WeakPolarHBondContact OH-CB 3.25Å; Y48-E125 PolarHBondContact OH-N 2.84Å; Y48-E125 PolarHBondContact OH-OE2 3Å
49D91.8Very high83.4Confident48 Ų4865.8 Ų65.826%0.25732%0.32SS..Hα-helixtrans-59.4-42.1166.317976.3000110.6K27 L45 Y47 F53K27-D49 VanDerWaalsContact NZ-CG 3.28Å; K27-D49 IonicContact NZ-OD1 2.66Å; K27-D49 PolarHBondContact NZ-OD1 3.47Å; K27-D49 IonicContact NZ-OD2 3.67Å; K27-D49 PolarHBondContact NZ-OD2 3.22Å; L45-D49 WeakPolarHBondContact O-CB 3.31Å; L45-D49 PolarHBondContact O-N 3.35Å; Y47-D49 VanDerWaalsContact C-N 3.31Å; Y47-D49 PolarHBondContact O-N 3.46Å; D49-F53 WeakPolarHBondContact O-CB 3.29Å; D49-F53 WeakPolarHBondContact O-CD2 3.3Å; D49-F53 PolarHBondContact O-N 2.98Å; D49-F53 WeakPolarHBondContact OD1-CD2 3.49Å
50S90.9Very high80.7Confident54 Ų5465.3 Ų65.338%0.37834%0.335SS..Hα-helixtrans-69.4-39.5177.786.60000112.7E46 Y47 Y48 G54E46-S50 PolarHBondContact O-N 3.39Å; Y47-S50 CarbonylContact O-C 3.46Å; Y47-S50 WeakPolarHBondContact O-CA 3.23Å; Y47-S50 WeakPolarHBondContact O-CB 3.47Å; Y47-S50 PolarHBondContact O-N 3.17Å; Y47-S50 PolarHBondContact O-OG 2.86Å; Y48-S50 VanDerWaalsContact C-N 3.28Å; Y48-S50 PolarHBondContact O-N 3.47Å; S50-G54 WeakPolarHBondContact O-CA 3.32Å; S50-G54 PolarHBondContact O-N 2.93Å
51V89.4Confident77.8Confident55 Ų5566.9 Ų66.933%0.33335%0.351SS..Hα-helixtrans-66.3-44.2176.2174.20000110.4Y47 Y48 R133Y47-V51 HydrophobicContact CD1-CG2 3.75Å; Y47-V51 HydrophobicContact CE1-CG2 3.32Å; Y47-V51 HydrophobicContact CE2-CG2 4.27Å; Y47-V51 HydrophobicContact CG-CG2 4.41Å; Y47-V51 PolarHBondContact O-N 3.49Å; Y48-V51 HydrophobicContact CD1-CB 4.38Å; Y48-V51 PolarHBondContact O-N 3.13Å; V51-R133 PolarHBondContact O-NH2 2.87Å
52V88.5Confident75.1Confident5 Ų574.5 Ų74.53%0.0339%0.391CS..Hα-helixtrans-78.2-33.4-175.8177.90000112.2L25 Y48 V131 R133L25-V52 HydrophobicContact CD2-CG1 3.59Å; Y48-V52 WeakPolarHBondContact O-CB 3.44Å; Y48-V52 WeakPolarHBondContact O-CG2 3.37Å; Y48-V52 PolarHBondContact O-N 3.29Å; V52-V131 HydrophobicContact CG1-CG2 4.33Å; V52-V131 HydrophobicContact CG2-CG2 4.34Å; V52-R133 VanDerWaalsContact C-NH2 3.29Å; V52-R133 VanDerWaalsContact CA-NH2 3.32Å; V52-R133 PolarHBondContact O-NH1 2.84Å; V52-R133 PolarHBondContact O-NH2 3.3Å
53F87.7Confident72.7Confident10 Ų1079.1 Ų79.14%0.04441%0.408CS..Hα-helixtrans-1233.9-174.8-56.1-72.8000115L25 K27 F30 D49 R55 E56L25-F53 HydrophobicContact CD1-CE1 4.15Å; L25-F53 HydrophobicContact CD1-CZ 3.97Å; L25-F53 HydrophobicContact CD2-CE1 4.35Å; L25-F53 HydrophobicContact CG-CE1 3.94Å; L25-F53 HydrophobicContact CG-CZ 4.25Å; K27-F53 VanDerWaalsContact CA-CE1 3.49Å; K27-F53 HydrophobicContact CB-CD1 3.66Å; K27-F53 HydrophobicContact CB-CE1 3.96Å; K27-F53 HydrophobicContact CB-CG 4.03Å; K27-F53 HydrophobicContact CD-CB 4.21Å; K27-F53 HydrophobicContact CD-CG 4.41Å; K27-F53 HydrophobicContact CG-CB 4.42Å; K27-F53 HydrophobicContact CG-CD1 4.22Å; K27-F53 HydrophobicContact CG-CD2 4.34Å; K27-F53 HydrophobicContact CG-CG 4.07Å; F30-F53 HydrophobicContact CB-CZ 3.85Å; F30-F53 AromaticContact CD1-CE2 3.78Å; F30-F53 HydrophobicContact CD1-CE2 3.78Å; F30-F53 AromaticContact CD1-CZ 3.72Å; F30-F53 HydrophobicContact CD1-CZ 3.72Å; F30-F53 HydrophobicContact CE1-CE2 4.36Å; F30-F53 HydrophobicContact CE1-CZ 4.5Å; F30-F53 HydrophobicContact CG-CE2 4.44Å; F30-F53 AromaticContact CG-CZ 3.92Å; F30-F53 HydrophobicContact CG-CZ 3.92Å; D49-F53 WeakPolarHBondContact O-CB 3.29Å; D49-F53 WeakPolarHBondContact O-CD2 3.3Å; D49-F53 PolarHBondContact O-N 2.98Å; D49-F53 WeakPolarHBondContact OD1-CD2 3.49Å; F53-R55 PolarHBondContact O-N 3.37Å; F53-E56 PolarHBondContact O-N 3.25Å
54G76.3Confident70.3Confident26 Ų2681.5 Ų81.527%0.26843%0.426SS..Hα-helixtrans-60.3-21.8-172.700000116S50S50-G54 WeakPolarHBondContact O-CA 3.32Å; S50-G54 PolarHBondContact O-N 2.93Å
55R63.5Low68.2Low165 Ų16585 Ų8562%0.62345%0.45SS*.Hα-helixtrans-67.4-36.6173.9-81.4-172.5173.5-171.2-1.7112.9F53 K57 K58 Q59F53-R55 PolarHBondContact O-N 3.37Å; R55-K57 VanDerWaalsContact C-N 3.25Å; R55-K57 PolarHBondContact O-N 2.93Å; R55-K58 PolarHBondContact O-N 2.78Å; R55-K58 VanDerWaalsContact O-N 3.09Å; R55-Q59 PolarHBondContact O-N 3.41Å
56E56.7Low65.6Low81 Ų8193.4 Ų93.438%0.37948%0.478SS..Hα-helixtrans-63.2-35180-65-177.8170.200111.1K27 F53 K58 Q59K27-E56 WeakPolarHBondContact CB-OE2 3.33Å; F53-E56 PolarHBondContact O-N 3.25Å; E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 PolarHBondContact O-N 2.79Å; E56-Q59 PolarHBondContact O-N 3.2Å
57K50.6Low62.7Low151 Ų15191.2 Ų91.266%0.65748%0.482SS*.Hα-helixtrans-65.2-31.5175.2-71.6-174.9180174.90113.3R55R55-K57 VanDerWaalsContact C-N 3.25Å; R55-K57 PolarHBondContact O-N 2.93Å
58K50.6Low59.9Low192 Ų19294.3 Ų94.384%0.83551%0.505SS*.Hα-helixtrans-80.5-19.7-178.4-74.5-171.5178-178.70113.6R55 E56 G60R55-K58 PolarHBondContact O-N 2.78Å; R55-K58 VanDerWaalsContact O-N 3.09Å; E56-K58 VanDerWaalsContact C-N 3.33Å; E56-K58 PolarHBondContact O-N 2.79Å; K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 3Å
59Q50Low56.9Low175 Ų175103.4 Ų103.482%0.81855%0.545SS*.THydrogen-bonded Turntrans-85.513.9179.6-72.7-171.6-6.400114.4R55 E56 G61R55-Q59 PolarHBondContact O-N 3.41Å; E56-Q59 PolarHBondContact O-N 3.2Å; Q59-G61 PolarHBondContact O-N 3.43Å; Q59-G61 VanDerWaalsContact O-N 3.09Å
60G39.4Very low54.1Low74 Ų74103.2 Ų103.276%0.76356%0.555SS**THydrogen-bonded Turntrans71.84.2166.400000115.9K58K58-G60 VanDerWaalsContact C-N 3.27Å; K58-G60 PolarHBondContact O-N 3Å
61G37.6Very low51.1Low34 Ų34106.7 Ų106.735%0.35158%0.578SS.*  trans-90.6104.2170.300000110.2Q59 H63Q59-G61 PolarHBondContact O-N 3.43Å; Q59-G61 VanDerWaalsContact O-N 3.09Å; G61-H63 PolarHBondContact O-N 2.9Å
62L38.5Very low48.1Very low162 Ų162108.9 Ų108.985%0.84860%0.603SS**  trans-6869157-145.8101.2000107.4T64L62-T64 HydrophobicContact CD2-CG2 4.36Å; L62-T64 PolarHBondContact O-N 2.86Å
63H44.6Very low45.3Very low163 Ų163113.9 Ų113.976%0.75563%0.628SS**  trans-72.480.6170.1-77.3-63000106.7G61 C65G61-H63 PolarHBondContact O-N 2.9Å; H63-C65 PolarHBondContact O-N 3.42Å
64T47Very low42.7Very low97 Ų97123.1 Ų123.160%0.59567%0.671SS**  trans-50.9123.3151.843.30000105.6L62 R66L62-T64 HydrophobicContact CD2-CG2 4.36Å; L62-T64 PolarHBondContact O-N 2.86Å; T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.38Å
65C51.8Low41.2Very low74 Ų74125.2 Ų125.250%0.568%0.682SS.*  trans-53.898.6175.8-63.70000107.4C28 H63 A67C28-C65 WeakPolarHBondContact CA-SG 3.3Å; C28-C65 HydrophobicContact CB-CB 3.75Å; C28-C65 WeakPolarHBondContact CB-SG 2.95Å; C28-C65 WeakPolarHBondContact SG-CA 3.41Å; C28-C65 WeakPolarHBondContact SG-CB 3.4Å; C28-C65 CovalentContact SG-SG 2.05Å; C28-C65 PolarHBondContact SG-SG 2.99Å; H63-C65 PolarHBondContact O-N 3.42Å; C65-A67 PolarHBondContact O-N 2.89Å
66R40.4Very low40.5Very low215 Ų215120 Ų12081%0.81167%0.674SS**  trans-66.7122.8-179-86.4-176.9171.8-179.8-2.4105.1T64 V68T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.38Å; R66-V68 VanDerWaalsContact C-N 3.31Å; R66-V68 WeakPolarHBondContact O-CG2 3.2Å; R66-V68 PolarHBondContact O-N 3.39Å
67A33.5Very low41.6Very low81 Ų81121 Ų12167%0.66968%0.682SS**  trans-56.198.7169.700000108.2C65 F69C65-A67 PolarHBondContact O-N 2.89Å; A67-F69 VanDerWaalsContact C-N 3.29Å; A67-F69 HydrophobicContact CB-CD2 4.1Å; A67-F69 HydrophobicContact CB-CE2 4.05Å; A67-F69 PolarHBondContact O-N 2.93Å
68V35.8Very low43.4Very low105 Ų105114 Ų11464%0.63665%0.651SS**  trans-78.987.1174.7-178.20000106.7R66 G70 I73R66-V68 VanDerWaalsContact C-N 3.31Å; R66-V68 WeakPolarHBondContact O-CG2 3.2Å; R66-V68 PolarHBondContact O-N 3.39Å; V68-G70 VanDerWaalsContact C-N 3.28Å; V68-G70 PolarHBondContact O-N 2.85Å; V68-I73 HydrophobicContact CG1-CD1 4.07Å
69F29.5Very low45.5Very low205 Ų205107.2 Ų107.290%0.89963%0.626SS**  trans-76.986.7157.9-76.4-84.1000107.1A67A67-F69 VanDerWaalsContact C-N 3.29Å; A67-F69 HydrophobicContact CB-CD2 4.1Å; A67-F69 HydrophobicContact CB-CE2 4.05Å; A67-F69 PolarHBondContact O-N 2.93Å
70G34.1Very low47.6Very low44 Ų4499 Ų9945%0.45459%0.587SS.*  trans-163.8113-177.800000111.2V68V68-G70 VanDerWaalsContact C-N 3.28Å; V68-G70 PolarHBondContact O-N 2.85Å
71S27.1Very low50.4Low126 Ų12699.3 Ų99.388%0.88157%0.569SS**SBendtrans-48.2137.418050.70000114.1
72A26.4Very low53.2Low102 Ų10297.7 Ų97.784%0.84355%0.552SS**  trans87.270.1176.400000116.1
73I30.7Very low56Low109 Ų10990.5 Ų90.556%0.55952%0.515SS*.  trans-132.990.2161.9-59.5-177.7000108.4V68 S75V68-I73 HydrophobicContact CG1-CD1 4.07Å; I73-S75 WeakPolarHBondContact CG2-OG 3.25Å; I73-S75 PolarHBondContact O-N 2.78Å
74E32.6Very low58.6Low205 Ų20582.9 Ų82.996%0.95848%0.48SS*.  trans-80.520.1159-81.5-174.5154.300111.2A76E74-A76 PolarHBondContact O-N 3.18Å; E74-A76 VanDerWaalsContact O-N 3.1Å
75S44.4Very low60.9Low70 Ų7082.6 Ų82.649%0.4948%0.475SS..  trans-77.2101.9174.275.40000109.2I73 L77I73-S75 WeakPolarHBondContact CG2-OG 3.25Å; I73-S75 PolarHBondContact O-N 2.78Å; S75-L77 PolarHBondContact O-N 3.14Å
76A50.2Low62.9Low55 Ų5581.9 Ų81.946%0.45547%0.468SS..  trans-40.3119.1-176.900000113.9E74 L78E74-A76 PolarHBondContact O-N 3.18Å; E74-A76 VanDerWaalsContact O-N 3.1Å; A76-L78 PolarHBondContact O-N 3.17Å
77L77.9Confident65.5Low103 Ų10376.1 Ų76.154%0.53946%0.459SS..  trans-60.6120.8165.2-76.7105000108.8H31 S75 T79H31-L77 WeakPolarHBondContact NE2-CD2 3.49Å; S75-L77 PolarHBondContact O-N 3.14Å; L77-T79 PolarHBondContact O-N 3.23Å
78L89.8Confident68.3Low4 Ų473.4 Ų73.42%0.02144%0.435CS..EExtended strand (participates in β ladder)trans-77.5120.4172.1-67.7-168.4000109.3L23 T24 L25 D29 F30 H31 A76 G108L23-L78 HydrophobicContact CB-CD1 4.13Å; L23-L78 HydrophobicContact CB-CD2 3.9Å; L23-L78 HydrophobicContact CD1-CD2 3.93Å; L23-L78 HydrophobicContact CD2-CD2 4.1Å; L23-L78 HydrophobicContact CG-CD2 4.18Å; T24-L78 WeakPolarHBondContact O-CD1 3.26Å; L25-L78 HydrophobicContact CD1-CD1 3.94Å; D29-L78 PolarHBondContact O-N 3.13Å; F30-L78 HydrophobicContact CD2-CB 3.83Å; F30-L78 HydrophobicContact CD2-CD1 4.32Å; H31-L78 PolarHBondContact N-O 3.2Å; A76-L78 PolarHBondContact O-N 3.17Å; L78-G108 WeakPolarHBondContact CA-O 3.36Å; L78-G108 VanDerWaalsContact CD2-CA 3.47Å
79T93.4Very high71Confident49 Ų4969.3 Ų69.330%0.30141%0.41SS..EExtended strand (participates in β ladder)trans-112.2116.7175.4-54.60000108.9H31 I33 L77 G108 I110H31-T79 CarbonylContact O-C 3.46Å; H31-T79 WeakPolarHBondContact O-CA 3.2Å; I33-T79 HydrophobicContact CD1-CG2 3.72Å; I33-T79 HydrophobicContact CG1-CG2 4.3Å; L77-T79 PolarHBondContact O-N 3.23Å; T79-G108 PolarHBondContact N-O 3.34Å; T79-I110 PolarHBondContact O-N 3.12Å
80F95.3Very high74Confident1 Ų166.2 Ų66.20%0.00440%0.4CS..EExtended strand (participates in β ladder)trans-101.3101.2176.2-165.9-81.3000109.8F30 H31 I32 I33 I82 L102 I110 L112 L124 F127F30-F80 HydrophobicContact CE1-CB 4.42Å; F30-F80 HydrophobicContact CE2-CB 3.74Å; F30-F80 HydrophobicContact CE2-CD2 4.2Å; F30-F80 HydrophobicContact CE2-CG 4.33Å; F30-F80 HydrophobicContact CZ-CB 3.54Å; F30-F80 AromaticContact CZ-CD2 3.93Å; F30-F80 HydrophobicContact CZ-CD2 3.93Å; F30-F80 AromaticContact CZ-CG 3.88Å; F30-F80 HydrophobicContact CZ-CG 3.88Å; H31-F80 PolarHBondContact O-N 3.23Å; I32-F80 CarbonylContact C-O 3.33Å; I32-F80 WeakPolarHBondContact CA-O 3.17Å; I32-F80 HydrophobicContact CG1-CB 4.37Å; I32-F80 HydrophobicContact CG2-CD1 4.37Å; I33-F80 PolarHBondContact N-O 3.24Å; F80-I82 HydrophobicContact CD1-CD1 4.2Å; F80-I82 HydrophobicContact CD1-CG1 3.75Å; F80-I82 HydrophobicContact CE1-CD1 3.96Å; F80-I82 HydrophobicContact CE1-CG1 3.55Å; F80-L102 HydrophobicContact CE2-CD1 4.04Å; F80-L102 HydrophobicContact CZ-CD1 4.14Å; F80-I110 CarbonylContact C-O 3.6Å; F80-I110 WeakPolarHBondContact CA-O 3.39Å; F80-I110 HydrophobicContact CD2-CB 3.84Å; F80-I110 HydrophobicContact CD2-CD1 4.25Å; F80-I110 HydrophobicContact CD2-CG2 3.42Å; F80-I110 VanDerWaalsContact CD2-CG2 3.42Å; F80-I110 HydrophobicContact CE2-CB 4.4Å; F80-I110 HydrophobicContact CE2-CG2 3.48Å; F80-I110 VanDerWaalsContact CE2-CG2 3.48Å; F80-I110 HydrophobicContact CG-CG2 4.4Å; F80-L112 HydrophobicContact CE1-CB 3.92Å; F80-L112 HydrophobicContact CE1-CD2 4.06Å; F80-L112 HydrophobicContact CZ-CB 3.85Å; F80-L112 HydrophobicContact CZ-CD2 4.01Å; F80-L124 HydrophobicContact CE1-CD2 3.74Å; F80-L124 HydrophobicContact CZ-CD2 4Å; F80-F127 HydrophobicContact CD2-CD1 4.26Å; F80-F127 HydrophobicContact CD2-CD2 4.11Å; F80-F127 HydrophobicContact CD2-CE1 4.06Å; F80-F127 AromaticContact CD2-CE2 3.88Å; F80-F127 HydrophobicContact CD2-CE2 3.88Å; F80-F127 HydrophobicContact CD2-CG 4.28Å; F80-F127 AromaticContact CD2-CZ 3.85Å; F80-F127 HydrophobicContact CD2-CZ 3.85Å; F80-F127 HydrophobicContact CE2-CB 4.03Å; F80-F127 AromaticContact CE2-CD1 3.71Å; F80-F127 HydrophobicContact CE2-CD1 3.71Å; F80-F127 AromaticContact CE2-CD2 3.46Å; F80-F127 HydrophobicContact CE2-CD2 3.46Å; F80-F127 VanDerWaalsContact CE2-CD2 3.46Å; F80-F127 AromaticContact CE2-CE1 3.98Å; F80-F127 HydrophobicContact CE2-CE1 3.98Å; F80-F127 AromaticContact CE2-CE2 3.72Å; F80-F127 HydrophobicContact CE2-CE2 3.72Å; F80-F127 AromaticContact CE2-CG 3.43Å; F80-F127 HydrophobicContact CE2-CG 3.43Å; F80-F127 VanDerWaalsContact CE2-CG 3.43Å; F80-F127 AromaticContact CE2-CZ 3.98Å; F80-F127 HydrophobicContact CE2-CZ 3.98Å; F80-F127 HydrophobicContact CZ-CB 4.24Å; F80-F127 HydrophobicContact CZ-CD1 4.29Å; F80-F127 HydrophobicContact CZ-CD2 4.44Å; F80-F127 HydrophobicContact CZ-CG 4.06Å
81E96.9Very high77Confident82 Ų8267.3 Ų67.338%0.38339%0.391SS..EExtended strand (participates in β ladder)trans-94123.2179.9-171.3-173.4175.600110.7I33 V83 I110 V111 L112I33-E81 CarbonylContact O-C 3.51Å; I33-E81 VanDerWaalsContact O-CA 3.32Å; I33-E81 WeakPolarHBondContact O-CA 3.05Å; E81-V83 HydrophobicContact CG-CG2 3.95Å; E81-I110 PolarHBondContact N-O 3.45Å; E81-V111 HydrophobicContact CB-CG2 4.35Å; E81-V111 CarbonylContact O-C 3.53Å; E81-V111 WeakPolarHBondContact O-CA 3.42Å; E81-L112 PolarHBondContact O-N 2.89Å
82I97.6Very high80.3Confident0 Ų061.7 Ų61.70%035%0.352CS..EExtended strand (participates in β ladder)trans-102.1122.4173.3-57.6174.8000108.6I32 I33 S34 N35 L45 F80 V84 L112 A120 L124I32-I82 HydrophobicContact CG2-CD1 4.03Å; I33-I82 PolarHBondContact O-N 2.77Å; S34-I82 WeakPolarHBondContact CA-O 3.22Å; N35-I82 PolarHBondContact N-O 3.15Å; N35-I82 PolarHBondContact OD1-O 2.65Å; L45-I82 HydrophobicContact CD1-CD1 4.47Å; L45-I82 HydrophobicContact CD2-CD1 3.71Å; L45-I82 HydrophobicContact CG-CD1 4.49Å; F80-I82 HydrophobicContact CD1-CD1 4.2Å; F80-I82 HydrophobicContact CD1-CG1 3.75Å; F80-I82 HydrophobicContact CE1-CD1 3.96Å; F80-I82 HydrophobicContact CE1-CG1 3.55Å; I82-V84 HydrophobicContact CG2-CG2 4.14Å; I82-L112 CarbonylContact C-O 3.49Å; I82-L112 WeakPolarHBondContact CA-O 3.32Å; I82-L112 HydrophobicContact CG1-CD2 4.49Å; I82-A120 HydrophobicContact CG2-CB 4.23Å; I82-L124 HydrophobicContact CD1-CD2 4.03Å
83V97.8Very high83.6Confident10 Ų1061.8 Ų61.86%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-120.4108.5178.3-173.70000109.2N35 E81 V111 L112 R113 A114N35-V83 WeakPolarHBondContact OD1-CA 3.17Å; E81-V83 HydrophobicContact CG-CG2 3.95Å; V83-V111 HydrophobicContact CG2-CG1 4.41Å; V83-L112 PolarHBondContact N-O 2.99Å; V83-R113 HydrophobicContact CB-CB 4.44Å; V83-R113 HydrophobicContact CB-CG 4.34Å; V83-R113 CarbonylContact O-C 3.59Å; V83-R113 WeakPolarHBondContact O-CA 2.9Å; V83-A114 PolarHBondContact O-N 2.87Å
84V97.3Very high86.6Confident3 Ų358.1 Ų58.12%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-105.4127.4171.4-173.60000109.3N35 L41 I82 T86 A114 A120N35-V84 PolarHBondContact ND2-O 2.86Å; N35-V84 PolarHBondContact OD1-N 3.35Å; L41-V84 HydrophobicContact CD1-CG2 4.16Å; I82-V84 HydrophobicContact CG2-CG2 4.14Å; V84-T86 WeakPolarHBondContact CG1-O 3.35Å; V84-A114 WeakPolarHBondContact CA-O 3.37Å; V84-A120 HydrophobicContact CG2-CB 4.04Å
85D96.2Very high89.5Confident92 Ų9254.6 Ų54.649%0.49230%0.3SS..SBendtrans-80.2-23.2-172.7-61.6-30.3000113.2R113 A114D85-R113 IonicContact OD1-NH1 2.67Å; D85-R113 PolarHBondContact OD1-NH1 3.04Å; D85-A114 PolarHBondContact N-O 2.67Å; D85-A114 VanDerWaalsContact N-O 3.14Å
86T94.5Very high92Very high58 Ų5852 Ų5236%0.35628%0.281SS..SBendtrans-124.7152.1-176.758.70000112.6V84 P115V84-T86 WeakPolarHBondContact CG1-O 3.35Å; T86-P115 PolarHBondContact N-O 2.79Å; T86-P115 PolarHBondContact OG1-O 1.99Å
87P93.5Very high94.2Very high94 Ų9450.5 Ų50.561%0.6127%0.267SS*.PPolyproline II helixtrans-56.8143.7175-25.435000112.5Y36 P89Y36-P87 HydrophobicContact CE2-CB 4.23Å; Y36-P87 WeakPolarHBondContact OH-CA 3.21Å; Y36-P87 WeakPolarHBondContact OH-CB 3.48Å; P87-P89 VanDerWaalsContact O-CD 3.3Å; P87-P89 WeakPolarHBondContact O-CD 3.08Å; P87-P89 VanDerWaalsContact O-N 3.12Å
88C92.4Very high95.2Very high25 Ų2545.8 Ų45.817%0.16924%0.242CC..PPolyproline II helixtrans-56.5119.1177.2-68.40000110.1Y36 C38 I40Y36-C88 WeakPolarHBondContact CD1-SG 3.25Å; Y36-C88 HydrophobicContact CE1-CB 3.74Å; Y36-C88 WeakPolarHBondContact CE1-SG 3.5Å; Y36-C88 PolarHBondContact OH-N 3.05Å; C38-C88 HydrophobicContact CB-CB 3.59Å; C38-C88 WeakPolarHBondContact CB-SG 3.47Å; C38-C88 WeakPolarHBondContact SG-CB 3.4Å; C38-C88 CovalentContact SG-SG 2.05Å; C38-C88 PolarHBondContact SG-SG 2.8Å; I40-C88 HydrophobicContact CD1-CB 4.48Å
89P92.9Very high95.6Very high19 Ų1949.9 Ų49.912%0.12326%0.261CS..PPolyproline II helixtrans-70.3160.8172.731.1-35.4000110.4P87 V117 W118P87-P89 VanDerWaalsContact O-CD 3.3Å; P87-P89 WeakPolarHBondContact O-CD 3.08Å; P87-P89 VanDerWaalsContact O-N 3.12Å; P89-V117 HydrophobicContact CG-CG1 4.46Å; P89-W118 HydrophobicContact CG-CZ2 3.52Å
90M93.5Very high95.9Very high140 Ų14047.8 Ų47.869%0.6925%0.248SC*.SBendtrans-65.3-59.7178.7-164.7-179.8-68.900111.1R230M90-R230 WeakPolarHBondContact O-CD 3.3Å; M90-R230 WeakPolarHBondContact O-CG 3.23Å; M90-R230 PolarHBondContact O-NH1 2.98Å; M90-R230 VanDerWaalsContact O-NH1 3.14Å
91Y96.6Very high96.1Very high66 Ų6650.2 Ų50.226%0.25926%0.261SS..SBendtrans-121.6150.7-178.7-66.8-81.1000112.5I226 R230 K300Y91-I226 HydrophobicContact CE1-CG2 3.88Å; Y91-R230 HydrophobicContact CD1-CB 4.03Å; Y91-R230 VanDerWaalsContact CD1-CD 3.47Å; Y91-R230 HydrophobicContact CD1-CG 3.6Å; Y91-R230 HydrophobicContact CE1-CB 4.18Å; Y91-R230 HydrophobicContact CE1-CG 3.93Å; Y91-R230 HydrophobicContact CG-CG 4.37Å; Y91-K300 HydrophobicContact CD1-CB 3.93Å; Y91-K300 HydrophobicContact CD1-CG 4.09Å; Y91-K300 HydrophobicContact CD2-CB 3.96Å; Y91-K300 HydrophobicContact CD2-CG 4.13Å; Y91-K300 HydrophobicContact CE1-CB 4.11Å; Y91-K300 HydrophobicContact CE1-CG 3.72Å; Y91-K300 HydrophobicContact CE2-CB 4.11Å; Y91-K300 HydrophobicContact CE2-CD 4.15Å; Y91-K300 HydrophobicContact CE2-CG 3.74Å; Y91-K300 HydrophobicContact CG-CB 3.89Å; Y91-K300 HydrophobicContact CG-CG 4.31Å
92P97.4Very high96.1Very high9 Ų946.3 Ų46.36%0.05824%0.243CC..  trans-64153.3169.928.5-34.4000110.6M96 W118 R235P92-M96 HydrophobicContact CB-CE 4.21Å; P92-M96 HydrophobicContact CB-SD 3.36Å; P92-M96 WeakPolarHBondContact CB-SD 3.31Å; P92-W118 VanDerWaalsContact CA-CZ2 3.44Å; P92-W118 HydrophobicContact CB-CD2 4.45Å; P92-W118 HydrophobicContact CB-CH2 4.06Å; P92-W118 HydrophobicContact CB-CZ2 3.83Å; P92-W118 HydrophobicContact CB-CZ3 4.47Å; P92-W118 HydrophobicContact CG-CH2 4.34Å; P92-W118 VanDerWaalsContact N-CZ2 3.33Å; P92-R235 HydrophobicContact CB-CG 3.85Å; P92-R235 HydrophobicContact CG-CG 3.81Å
93R95.6Very high96.2Very high104 Ų10449.2 Ų49.239%0.39226%0.257SS..  trans-139.9157.4-173.547.2-177.8178.9-108.4-2.5110.8N95 M96 E116R93-N95 PolarHBondContact O-N 3.41Å; R93-M96 HydrophobicContact CG-CB 3.97Å; R93-M96 VanDerWaalsContact O-CB 3.27Å; R93-M96 WeakPolarHBondContact O-CB 3.45Å; R93-M96 VanDerWaalsContact O-CG 3.26Å; R93-M96 WeakPolarHBondContact O-CG 3.17Å; R93-M96 PolarHBondContact O-N 3.28Å; R93-E116 IonicContact CZ-OE1 3.74Å; R93-E116 IonicContact NH2-OE1 2.72Å; R93-E116 PolarHBondContact NH2-OE1 3.29Å; R93-E116 IonicContact NH2-OE2 3.96Å
94V93.2Very high96.1Very high32 Ų3249 Ų4919%0.19426%0.256CS..THydrogen-bonded Turntrans-50.5-37-174.6179.20000113.2R235 Y303V94-R235 VanDerWaalsContact CG2-CZ 3.5Å; V94-R235 VanDerWaalsContact CG2-NH2 3.29Å; V94-Y303 HydrophobicContact CG2-CD1 3.94Å; V94-Y303 HydrophobicContact CG2-CE1 3.56Å; V94-Y303 HydrophobicContact CG2-CE2 4.33Å
95N92.4Very high96.1Very high130 Ų13054.1 Ų54.170%0.69528%0.275SS*.THydrogen-bonded Turntrans-107.220.8-176.566.6-19000113.4R93R93-N95 PolarHBondContact O-N 3.41Å
96M96.9Very high95.9Very high15 Ų1556.8 Ų56.87%0.07428%0.278CS..  trans-60.8149.517773.7-173.7-178.900111.6P92 R93 E98 E116 W118 N183P92-M96 HydrophobicContact CB-CE 4.21Å; P92-M96 HydrophobicContact CB-SD 3.36Å; P92-M96 WeakPolarHBondContact CB-SD 3.31Å; R93-M96 HydrophobicContact CG-CB 3.97Å; R93-M96 VanDerWaalsContact O-CB 3.27Å; R93-M96 WeakPolarHBondContact O-CB 3.45Å; R93-M96 VanDerWaalsContact O-CG 3.26Å; R93-M96 WeakPolarHBondContact O-CG 3.17Å; R93-M96 PolarHBondContact O-N 3.28Å; M96-E98 VanDerWaalsContact CE-CD 3.45Å; M96-E98 HydrophobicContact CE-CG 3.81Å; M96-E98 HydrophobicContact CG-CG 4.06Å; M96-E116 WeakPolarHBondContact CA-OE2 3.46Å; M96-W118 HydrophobicContact CB-CG 4.39Å; M96-W118 HydrophobicContact CG-CG 4.24Å; M96-W118 HydrophobicContact SD-CB 4.2Å; M96-W118 HydrophobicContact SD-CD2 4Å; M96-W118 HydrophobicContact SD-CG 3.67Å; M96-N183 HydrophobicContact CE-CB 3.78Å
97S97.9Very high95.8Very high24 Ų2459.3 Ų59.317%0.16829%0.289CS..  trans-86.7117176.8-170.20000110.5H99 E116 G119S97-H99 PolarHBondContact OG-ND1 3.01Å; S97-H99 VanDerWaalsContact OG-ND1 3.11Å; S97-E116 PolarHBondContact N-OE2 2.86Å; S97-G119 PolarHBondContact O-N 3.32Å
98E98.6Very high95.7Very high5 Ų554.9 Ų54.92%0.02326%0.261CS..  trans-104.715.9172.6-57.8-175.889.500111.9M96 W118 R122 P149 R154 N183 W470M96-E98 VanDerWaalsContact CE-CD 3.45Å; M96-E98 HydrophobicContact CE-CG 3.81Å; M96-E98 HydrophobicContact CG-CG 4.06Å; E98-W118 HydrophobicContact CG-CB 4.18Å; E98-R122 HydrophobicContact CB-CG 4.43Å; E98-R122 IonicContact OE1-CZ 2.75Å; E98-R122 IonicContact OE1-NE 3.95Å; E98-R122 PolarHBondContact OE1-NE 2.87Å; E98-R122 IonicContact OE1-NH2 2.69Å; E98-R122 PolarHBondContact OE1-NH2 3.45Å; E98-P149 HydrophobicContact CB-CG 3.99Å; E98-R154 IonicContact OE1-CZ 3.57Å; E98-R154 IonicContact OE1-NH2 3.45Å; E98-R154 PolarHBondContact OE1-NH2 2.89Å; E98-R154 IonicContact OE2-CZ 3.25Å; E98-R154 VanDerWaalsContact OE2-CZ 3.26Å; E98-R154 IonicContact OE2-NH1 3.81Å; E98-R154 PolarHBondContact OE2-NH1 3.1Å; E98-R154 IonicContact OE2-NH2 2.7Å; E98-R154 PolarHBondContact OE2-NH2 3.02Å; E98-N183 PolarHBondContact OE2-ND2 3.4Å; E98-W470 HydrophobicContact CB-CH2 4.21Å; E98-W470 HydrophobicContact CB-CZ3 4.46Å
99H98.5Very high95.8Very high90 Ų9055 Ų5542%0.41726%0.262SS..  trans-70.5139176.6-64.577000110.4S97 P115 D147 Y148S97-H99 PolarHBondContact OG-ND1 3.01Å; S97-H99 VanDerWaalsContact OG-ND1 3.11Å; H99-P115 HydrophobicContact CB-CG 4.4Å; H99-P115 WeakPolarHBondContact O-CD 3.48Å; H99-D147 WeakPolarHBondContact CA-O 3.25Å; H99-Y148 WeakPolarHBondContact CD2-CB 3.35Å; H99-Y148 AromaticContact CD2-CD1 3.86Å; H99-Y148 AromaticContact CD2-CG 3.66Å; H99-Y148 WeakPolarHBondContact NE2-CB 3.2Å; H99-Y148 AromaticContact NE2-CG 3.71Å
100Y98.8Very high96Very high4 Ų454.1 Ų54.12%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-150154.5169.770.5-86000112.1L102 L112 R113 G119 R122 G123 T126 V145 D147 W470Y100-L102 HydrophobicContact CE2-CB 4.49Å; Y100-L112 HydrophobicContact CD2-CD1 3.77Å; Y100-L112 HydrophobicContact CG-CD1 4.2Å; Y100-R113 CarbonylContact C-O 3.54Å; Y100-R113 VanDerWaalsContact CA-O 3.26Å; Y100-R113 WeakPolarHBondContact CA-O 3.28Å; Y100-G119 WeakPolarHBondContact CB-O 3.46Å; Y100-G119 WeakPolarHBondContact CD1-O 3.49Å; Y100-R122 HydrophobicContact CD1-CB 3.9Å; Y100-R122 HydrophobicContact CE1-CB 3.74Å; Y100-G123 VanDerWaalsContact CD2-CA 3.49Å; Y100-T126 PolarHBondContact OH-OG1 3Å; Y100-V145 HydrophobicContact CE2-CB 4.47Å; Y100-V145 HydrophobicContact CE2-CG1 3.97Å; Y100-D147 HydrophobicContact CD1-CB 4.17Å; Y100-D147 HydrophobicContact CE1-CB 3.5Å; Y100-D147 VanDerWaalsContact CE1-CB 3.5Å; Y100-D147 HydrophobicContact CE2-CB 4.05Å; Y100-D147 PolarHBondContact N-O 3.41Å; Y100-D147 PolarHBondContact O-N 3.27Å; Y100-D147 VanDerWaalsContact OH-CB 3.31Å; Y100-D147 WeakPolarHBondContact OH-CB 3.43Å; Y100-D147 PolarHBondContact OH-OD2 2.92Å; Y100-W470 HydrophobicContact CE1-CZ2 4.09Å
101D98.7Very high96.3Very high53 Ų5348.2 Ų48.228%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-116.9131.1168.2-67-47.3000108.7L112 R113 V145 K146D101-L112 CarbonylContact O-C 3.57Å; D101-L112 WeakPolarHBondContact O-CA 3.4Å; D101-R113 PolarHBondContact N-O 2.97Å; D101-R113 PolarHBondContact O-N 3.37Å; D101-V145 CarbonylContact C-O 3.13Å; D101-V145 WeakPolarHBondContact CA-O 3.39Å; D101-K146 VanDerWaalsContact OD1-CB 3.3Å; D101-K146 WeakPolarHBondContact OD1-CB 3.3Å; D101-K146 WeakPolarHBondContact OD1-CD 3.46Å; D101-K146 WeakPolarHBondContact OD1-CG 3.3Å
102L98.6Very high96.3Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-116.2113.5170.9-175.668.6000108.3F80 Y100 M104 I110 V111 L112 F127 L130 N144 V145F80-L102 HydrophobicContact CE2-CD1 4.04Å; F80-L102 HydrophobicContact CZ-CD1 4.14Å; Y100-L102 HydrophobicContact CE2-CB 4.49Å; L102-M104 HydrophobicContact CD2-CE 3.88Å; L102-M104 HydrophobicContact CG-CE 4.33Å; L102-I110 HydrophobicContact CD1-CG2 3.74Å; L102-V111 WeakPolarHBondContact CA-O 3.4Å; L102-L112 HydrophobicContact CD1-CB 4Å; L102-L112 HydrophobicContact CD1-CD1 4.45Å; L102-F127 HydrophobicContact CD2-CB 4.11Å; L102-F127 HydrophobicContact CD2-CD2 4.38Å; L102-L130 HydrophobicContact CD2-CD1 3.88Å; L102-N144 WeakPolarHBondContact O-CA 3.4Å; L102-V145 HydrophobicContact CB-CB 3.99Å; L102-V145 HydrophobicContact CB-CG2 4.29Å; L102-V145 HydrophobicContact CD2-CG2 4.35Å; L102-V145 PolarHBondContact N-O 2.81Å; L102-V145 PolarHBondContact O-N 3.5Å
103I98.3Very high96.4Very high60 Ų6050 Ų5031%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-116.4120.5-175.9-59.5174.3000108.8I110 V111I103-I110 WeakPolarHBondContact O-CA 3.48Å; I103-V111 PolarHBondContact N-O 3.13Å; I103-V111 PolarHBondContact O-N 3.22Å
104M97.1Very high96.5Very high6 Ų645.1 Ų45.13%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-107.5137.9177.3-62.7-172.2178.300110.8L19 L102 I110 F127 L130 V140 A143 N144L19-M104 HydrophobicContact CD1-CB 4.03Å; L19-M104 WeakPolarHBondContact CD1-O 3.5Å; L102-M104 HydrophobicContact CD2-CE 3.88Å; L102-M104 HydrophobicContact CG-CE 4.33Å; M104-I110 HydrophobicContact CE-CG2 4.35Å; M104-I110 HydrophobicContact CG-CG1 4.18Å; M104-I110 HydrophobicContact CG-CG2 4.13Å; M104-F127 HydrophobicContact CE-CD2 3.66Å; M104-F127 HydrophobicContact CE-CE2 3.89Å; M104-L130 HydrophobicContact CE-CD1 3.47Å; M104-L130 VanDerWaalsContact CE-CD1 3.47Å; M104-V140 HydrophobicContact CE-CG1 3.64Å; M104-V140 HydrophobicContact SD-CG1 4.05Å; M104-A143 VanDerWaalsContact CG-O 3.26Å; M104-A143 WeakPolarHBondContact CG-O 3.09Å; M104-A143 PolarHBondContact SD-N 3.18Å; M104-N144 PolarHBondContact N-OD1 3.15Å
105R95.9Very high96.7Very high111 Ų11145.9 Ų45.942%0.41922%0.221SC..  trans-120.6148177.6-63.6-175.3178.287.61.8110.7N107 G108 S109R105-N107 WeakPolarHBondContact CB-OD1 3.17Å; R105-N107 PolarHBondContact O-N 3.43Å; R105-N107 VanDerWaalsContact O-N 3.1Å; R105-G108 PolarHBondContact O-N 3.26Å; R105-S109 PolarHBondContact N-O 3.33Å
106R93Very high97Very high147 Ų14741 Ų4156%0.55519%0.193SC*.THydrogen-bonded Turntrans-59.3-23.6-179.2-173.1177.8-69.2-91.13.9113.5D20 F21 G108D20-R106 IonicContact OD1-CZ 3.95Å; D20-R106 IonicContact OD1-NH2 3.55Å; D20-R106 PolarHBondContact OD1-NH2 2.93Å; D20-R106 IonicContact OD2-NH2 2.74Å; D20-R106 PolarHBondContact OD2-NH2 3.12Å; F21-R106 HydrophobicContact CD1-CB 4.25Å; F21-R106 HydrophobicContact CE1-CB 4.11Å; F21-R106 HydrophobicContact CE2-CB 4.48Å; F21-R106 HydrophobicContact CG-CB 4.5Å; F21-R106 HydrophobicContact CG-CG 4.47Å; F21-R106 HydrophobicContact CZ-CB 4.24Å; R106-G108 PolarHBondContact O-N 2.98Å
107N91.6Very high97Very high111 Ų11140.3 Ų40.359%0.59419%0.19SC*.THydrogen-bonded Turntrans-794.8177.670.7-14.6000114.3R105 S109R105-N107 WeakPolarHBondContact CB-OD1 3.17Å; R105-N107 PolarHBondContact O-N 3.43Å; R105-N107 VanDerWaalsContact O-N 3.1Å; N107-S109 WeakPolarHBondContact OD1-CB 3.41Å; N107-S109 PolarHBondContact OD1-N 3.08Å
108G91.7Very high97Very high1 Ų139.1 Ų39.11%0.0118%0.182CC..SBendtrans91.1-1.7-18000000115.3L78 T79 R105 R106L78-G108 WeakPolarHBondContact CA-O 3.36Å; L78-G108 VanDerWaalsContact CD2-CA 3.47Å; T79-G108 PolarHBondContact N-O 3.34Å; R105-G108 PolarHBondContact O-N 3.26Å; R106-G108 PolarHBondContact O-N 2.98Å
109S95.2Very high97Very high28 Ų2838.9 Ų38.920%0.19618%0.181CC..EExtended strand (participates in β ladder)trans-76.7124173171.60000110.9R105 N107R105-S109 PolarHBondContact N-O 3.33Å; N107-S109 WeakPolarHBondContact OD1-CB 3.41Å; N107-S109 PolarHBondContact OD1-N 3.08Å
110I97.3Very high97Very high0 Ų034.7 Ų34.70%016%0.161CC..EExtended strand (participates in β ladder)trans-120.7123.1173.2-56.9158.2000107.1L23 F30 T79 F80 E81 L102 I103 M104 F127L23-I110 HydrophobicContact CD1-CD1 4.12Å; L23-I110 HydrophobicContact CD1-CG1 4.08Å; F30-I110 HydrophobicContact CE2-CD1 4.49Å; T79-I110 PolarHBondContact O-N 3.12Å; F80-I110 CarbonylContact C-O 3.6Å; F80-I110 WeakPolarHBondContact CA-O 3.39Å; F80-I110 HydrophobicContact CD2-CB 3.84Å; F80-I110 HydrophobicContact CD2-CD1 4.25Å; F80-I110 HydrophobicContact CD2-CG2 3.42Å; F80-I110 VanDerWaalsContact CD2-CG2 3.42Å; F80-I110 HydrophobicContact CE2-CB 4.4Å; F80-I110 HydrophobicContact CE2-CG2 3.48Å; F80-I110 VanDerWaalsContact CE2-CG2 3.48Å; F80-I110 HydrophobicContact CG-CG2 4.4Å; E81-I110 PolarHBondContact N-O 3.45Å; L102-I110 HydrophobicContact CD1-CG2 3.74Å; I103-I110 WeakPolarHBondContact O-CA 3.48Å; M104-I110 HydrophobicContact CE-CG2 4.35Å; M104-I110 HydrophobicContact CG-CG1 4.18Å; M104-I110 HydrophobicContact CG-CG2 4.13Å; I110-F127 HydrophobicContact CD1-CE2 3.8Å; I110-F127 HydrophobicContact CD1-CZ 4.2Å; I110-F127 HydrophobicContact CG2-CD2 4.46Å; I110-F127 HydrophobicContact CG2-CE2 4.33Å
111V98.1Very high97Very high16 Ų1634.5 Ų34.510%0.09716%0.161CC..EExtended strand (participates in β ladder)trans-120.2118.9-179.3-176.50000109.4E81 V83 L102 I103E81-V111 HydrophobicContact CB-CG2 4.35Å; E81-V111 CarbonylContact O-C 3.53Å; E81-V111 WeakPolarHBondContact O-CA 3.42Å; V83-V111 HydrophobicContact CG2-CG1 4.41Å; L102-V111 WeakPolarHBondContact CA-O 3.4Å; I103-V111 PolarHBondContact N-O 3.13Å; I103-V111 PolarHBondContact O-N 3.22Å
112L98.5Very high97Very high0 Ų032 Ų320%015%0.148CC..EExtended strand (participates in β ladder)trans-102111.4170172.758.1000109.1F80 E81 I82 V83 Y100 D101 L102 A120 L124F80-L112 HydrophobicContact CE1-CB 3.92Å; F80-L112 HydrophobicContact CE1-CD2 4.06Å; F80-L112 HydrophobicContact CZ-CB 3.85Å; F80-L112 HydrophobicContact CZ-CD2 4.01Å; E81-L112 PolarHBondContact O-N 2.89Å; I82-L112 CarbonylContact C-O 3.49Å; I82-L112 WeakPolarHBondContact CA-O 3.32Å; I82-L112 HydrophobicContact CG1-CD2 4.49Å; V83-L112 PolarHBondContact N-O 2.99Å; Y100-L112 HydrophobicContact CD2-CD1 3.77Å; Y100-L112 HydrophobicContact CG-CD1 4.2Å; D101-L112 CarbonylContact O-C 3.57Å; D101-L112 WeakPolarHBondContact O-CA 3.4Å; L102-L112 HydrophobicContact CD1-CB 4Å; L102-L112 HydrophobicContact CD1-CD1 4.45Å; L112-A120 HydrophobicContact CD2-CB 4.38Å; L112-A120 WeakPolarHBondContact CD2-O 3.05Å; L112-L124 HydrophobicContact CD2-CD2 4.15Å; L112-L124 HydrophobicContact CD2-CG 3.9Å
113R98.6Very high96.9Very high114 Ų11432 Ų3243%0.4315%0.148SC..EExtended strand (participates in β ladder)trans-112.6133.2177.5-177.2178-69.9-94.5-0.8110.8V83 D85 Y100 D101V83-R113 HydrophobicContact CB-CB 4.44Å; V83-R113 HydrophobicContact CB-CG 4.34Å; V83-R113 CarbonylContact O-C 3.59Å; V83-R113 WeakPolarHBondContact O-CA 2.9Å; D85-R113 IonicContact OD1-NH1 2.67Å; D85-R113 PolarHBondContact OD1-NH1 3.04Å; Y100-R113 CarbonylContact C-O 3.54Å; Y100-R113 VanDerWaalsContact CA-O 3.26Å; Y100-R113 WeakPolarHBondContact CA-O 3.28Å; D101-R113 PolarHBondContact N-O 2.97Å; D101-R113 PolarHBondContact O-N 3.37Å
114A98.5Very high96.9Very high0 Ų029.5 Ų29.50%013%0.134CC..EExtended strand (participates in β ladder)trans-142.8140.8176.200000111.8V83 V84 D85 E116 A120V83-A114 PolarHBondContact O-N 2.87Å; V84-A114 WeakPolarHBondContact CA-O 3.37Å; D85-A114 PolarHBondContact N-O 2.67Å; D85-A114 VanDerWaalsContact N-O 3.14Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 WeakPolarHBondContact CB-O 3.32Å; A114-E116 PolarHBondContact O-N 2.97Å; A114-A120 HydrophobicContact CB-CB 4.15Å; A114-A120 VanDerWaalsContact CB-N 3.32Å
115P97.5Very high97Very high49 Ų4929.8 Ų29.832%0.31814%0.136SC..SBendtrans-63.4-36.1176.4-25.135.9000113.8T86 H99T86-P115 PolarHBondContact N-O 2.79Å; T86-P115 PolarHBondContact OG1-O 1.99Å; H99-P115 HydrophobicContact CB-CG 4.4Å; H99-P115 WeakPolarHBondContact O-CD 3.48Å
116E97.6Very high97.1Very high27 Ų2724.5 Ų24.513%0.12612%0.116CC..SBendtrans-130.1159176-63.7-172.5164.700109.3R93 M96 S97 A114 W118 G119R93-E116 IonicContact CZ-OE1 3.74Å; R93-E116 IonicContact NH2-OE1 2.72Å; R93-E116 PolarHBondContact NH2-OE1 3.29Å; R93-E116 IonicContact NH2-OE2 3.96Å; M96-E116 WeakPolarHBondContact CA-OE2 3.46Å; S97-E116 PolarHBondContact N-OE2 2.86Å; A114-E116 VanDerWaalsContact C-N 3.32Å; A114-E116 WeakPolarHBondContact CB-O 3.32Å; A114-E116 PolarHBondContact O-N 2.97Å; E116-W118 PolarHBondContact O-N 3.39Å; E116-W118 VanDerWaalsContact OE2-CD1 3.22Å; E116-G119 PolarHBondContact O-N 2.76Å; E116-G119 VanDerWaalsContact O-N 3.14Å
117V97.7Very high97.3Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-54.2-29.9-178.967.60000113.7I40 L41 P89 G119 A120 L121I40-V117 HydrophobicContact CB-CG2 4.22Å; I40-V117 HydrophobicContact CD1-CG1 4.12Å; I40-V117 HydrophobicContact CG2-CG1 4.42Å; I40-V117 HydrophobicContact CG2-CG2 3.69Å; L41-V117 HydrophobicContact CD1-CG2 4.29Å; L41-V117 HydrophobicContact CD2-CG2 3.69Å; L41-V117 HydrophobicContact CG-CG2 3.6Å; P89-V117 HydrophobicContact CG-CG1 4.46Å; V117-G119 PolarHBondContact O-N 2.99Å; V117-A120 WeakPolarHBondContact O-CA 3.41Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 2.98Å; V117-L121 PolarHBondContact O-N 3.48Å
118W98.2Very high97.5Very high0 Ų013.4 Ų13.40%07%0.069CC..Hα-helixtrans-63-41.1-179.1-42.5117.1000112.3I40 P89 P92 M96 E98 E116 A120 L121 R122 R230 G233I40-W118 HydrophobicContact CD1-CH2 3.6Å; I40-W118 HydrophobicContact CD1-CZ3 3.78Å; I40-W118 HydrophobicContact CG1-CZ3 4.48Å; I40-W118 HydrophobicContact CG2-CZ3 4.23Å; P89-W118 HydrophobicContact CG-CZ2 3.52Å; P92-W118 VanDerWaalsContact CA-CZ2 3.44Å; P92-W118 HydrophobicContact CB-CD2 4.45Å; P92-W118 HydrophobicContact CB-CH2 4.06Å; P92-W118 HydrophobicContact CB-CZ2 3.83Å; P92-W118 HydrophobicContact CB-CZ3 4.47Å; P92-W118 HydrophobicContact CG-CH2 4.34Å; P92-W118 VanDerWaalsContact N-CZ2 3.33Å; M96-W118 HydrophobicContact CB-CG 4.39Å; M96-W118 HydrophobicContact CG-CG 4.24Å; M96-W118 HydrophobicContact SD-CB 4.2Å; M96-W118 HydrophobicContact SD-CD2 4Å; M96-W118 HydrophobicContact SD-CG 3.67Å; E98-W118 HydrophobicContact CG-CB 4.18Å; E116-W118 PolarHBondContact O-N 3.39Å; E116-W118 VanDerWaalsContact OE2-CD1 3.22Å; W118-A120 VanDerWaalsContact C-N 3.28Å; W118-A120 PolarHBondContact O-N 3.26Å; W118-L121 HydrophobicContact CE3-CD1 3.93Å; W118-L121 HydrophobicContact CZ3-CD1 4.33Å; W118-L121 WeakPolarHBondContact O-CB 3.41Å; W118-L121 PolarHBondContact O-N 2.92Å; W118-R122 WeakPolarHBondContact O-CG 3.46Å; W118-R122 PolarHBondContact O-N 2.85Å; W118-R230 WeakPolarHBondContact CZ3-O 3.33Å; W118-G233 VanDerWaalsContact CE3-CA 3.41Å; W118-G233 VanDerWaalsContact CZ3-CA 3.41Å
119G98.3Very high97.7Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-62.1-37172.700000112.1S97 Y100 E116 V117 R122 G123S97-G119 PolarHBondContact O-N 3.32Å; Y100-G119 WeakPolarHBondContact CB-O 3.46Å; Y100-G119 WeakPolarHBondContact CD1-O 3.49Å; E116-G119 PolarHBondContact O-N 2.76Å; E116-G119 VanDerWaalsContact O-N 3.14Å; V117-G119 PolarHBondContact O-N 2.99Å; G119-R122 PolarHBondContact O-N 3.01Å; G119-G123 PolarHBondContact O-N 3.25Å
120A97.9Very high97.7Very high1 Ų114 Ų141%0.0087%0.068CC..Hα-helixtrans-63.8-41175.200000111.7L41 I82 V84 L112 A114 V117 W118 R122 G123 L124L41-A120 HydrophobicContact CD2-CB 4.08Å; I82-A120 HydrophobicContact CG2-CB 4.23Å; V84-A120 HydrophobicContact CG2-CB 4.04Å; L112-A120 HydrophobicContact CD2-CB 4.38Å; L112-A120 WeakPolarHBondContact CD2-O 3.05Å; A114-A120 HydrophobicContact CB-CB 4.15Å; A114-A120 VanDerWaalsContact CB-N 3.32Å; V117-A120 WeakPolarHBondContact O-CA 3.41Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 2.98Å; W118-A120 VanDerWaalsContact C-N 3.28Å; W118-A120 PolarHBondContact O-N 3.26Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.14Å; A120-G123 PolarHBondContact O-N 3.09Å; A120-L124 WeakPolarHBondContact O-CG 3.47Å; A120-L124 PolarHBondContact O-N 3.36Å
121L98Very high97.6Very high1 Ų114.7 Ų14.71%0.0057%0.072CC..Hα-helixtrans-57.2-45.4172.8-62.2-179000111.9I40 A44 V117 W118 G123 L124 E125I40-L121 HydrophobicContact CG2-CD1 3.84Å; I40-L121 HydrophobicContact CG2-CD2 3.94Å; I40-L121 HydrophobicContact CG2-CG 4.17Å; A44-L121 HydrophobicContact CB-CD2 3.38Å; V117-L121 PolarHBondContact O-N 3.48Å; W118-L121 HydrophobicContact CE3-CD1 3.93Å; W118-L121 HydrophobicContact CZ3-CD1 4.33Å; W118-L121 WeakPolarHBondContact O-CB 3.41Å; W118-L121 PolarHBondContact O-N 2.92Å; L121-G123 VanDerWaalsContact C-N 3.32Å; L121-G123 PolarHBondContact O-N 2.99Å; L121-L124 PolarHBondContact O-N 3.36Å; L121-E125 PolarHBondContact O-N 2.83Å; L121-E125 VanDerWaalsContact O-N 3.12Å
122R98.6Very high97.2Very high1 Ų115.3 Ų15.30%0.0048%0.075CC..Hα-helixtrans-67.9-33.6179.7-50-44.8175.9-132.3-3.5112.6E98 Y100 W118 G119 A120 T126 K181 W232 G233 W470E98-R122 HydrophobicContact CB-CG 4.43Å; E98-R122 IonicContact OE1-CZ 2.75Å; E98-R122 IonicContact OE1-NE 3.95Å; E98-R122 PolarHBondContact OE1-NE 2.87Å; E98-R122 IonicContact OE1-NH2 2.69Å; E98-R122 PolarHBondContact OE1-NH2 3.45Å; Y100-R122 HydrophobicContact CD1-CB 3.9Å; Y100-R122 HydrophobicContact CE1-CB 3.74Å; W118-R122 WeakPolarHBondContact O-CG 3.46Å; W118-R122 PolarHBondContact O-N 2.85Å; G119-R122 PolarHBondContact O-N 3.01Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 3.14Å; R122-T126 PolarHBondContact O-N 3.29Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.24Å; R122-K181 HydrophobicContact CB-CD 4.33Å; R122-W232 PolarHBondContact NH1-O 2.91Å; R122-G233 PolarHBondContact NH2-O 3.41Å; R122-W470 HydrophobicContact CB-CH2 3.92Å; R122-W470 HydrophobicContact CB-CZ2 4.43Å; R122-W470 HydrophobicContact CG-CH2 3.67Å; R122-W470 HydrophobicContact CG-CZ3 4.07Å
123G98.4Very high96.7Very high0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-71.5-37.3175.700000113.3Y100 G119 A120 L121 T126 F127Y100-G123 VanDerWaalsContact CD2-CA 3.49Å; G119-G123 PolarHBondContact O-N 3.25Å; A120-G123 PolarHBondContact O-N 3.09Å; L121-G123 VanDerWaalsContact C-N 3.32Å; L121-G123 PolarHBondContact O-N 2.99Å; G123-T126 PolarHBondContact O-N 3.23Å; G123-F127 WeakPolarHBondContact O-CB 3.44Å; G123-F127 PolarHBondContact O-N 2.97Å
124L97.7Very high95.9Very high6 Ų615 Ų153%0.0318%0.083CC..Hα-helixtrans-62.6-44.3172.6-73.8170.7000111.4A44 L45 Y48 F80 I82 L112 A120 L121 T126 F127 S128A44-L124 HydrophobicContact CB-CD1 4.02Å; L45-L124 HydrophobicContact CD2-CD1 4.3Å; L45-L124 HydrophobicContact CD2-CD2 4.21Å; Y48-L124 HydrophobicContact CD2-CB 3.61Å; Y48-L124 HydrophobicContact CD2-CD1 4.18Å; Y48-L124 HydrophobicContact CD2-CG 4.39Å; Y48-L124 HydrophobicContact CE2-CB 3.55Å; Y48-L124 HydrophobicContact CE2-CD1 4.48Å; Y48-L124 HydrophobicContact CG-CB 4.35Å; F80-L124 HydrophobicContact CE1-CD2 3.74Å; F80-L124 HydrophobicContact CZ-CD2 4Å; I82-L124 HydrophobicContact CD1-CD2 4.03Å; L112-L124 HydrophobicContact CD2-CD2 4.15Å; L112-L124 HydrophobicContact CD2-CG 3.9Å; A120-L124 WeakPolarHBondContact O-CG 3.47Å; A120-L124 PolarHBondContact O-N 3.36Å; L121-L124 PolarHBondContact O-N 3.36Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.45Å; L124-F127 PolarHBondContact O-N 3.23Å; L124-S128 PolarHBondContact O-N 2.83Å
125E98.2Very high95.1Very high13 Ų1324.7 Ų24.76%0.06113%0.128CC..Hα-helixtrans-55.9-51173179.451.4-145.800111.1Y48 L121 F127 S128 Q129 Q179Y48-E125 VanDerWaalsContact CE1-OE2 3.27Å; Y48-E125 WeakPolarHBondContact CE1-OE2 3.24Å; Y48-E125 VanDerWaalsContact OH-CA 3.24Å; Y48-E125 WeakPolarHBondContact OH-CA 3.4Å; Y48-E125 WeakPolarHBondContact OH-CB 3.25Å; Y48-E125 PolarHBondContact OH-N 2.84Å; Y48-E125 PolarHBondContact OH-OE2 3Å; L121-E125 PolarHBondContact O-N 2.83Å; L121-E125 VanDerWaalsContact O-N 3.12Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 3.03Å; E125-S128 WeakPolarHBondContact O-CB 3.16Å; E125-S128 PolarHBondContact O-N 2.77Å; E125-S128 VanDerWaalsContact O-N 3.1Å; E125-S128 PolarHBondContact O-OG 3.07Å; E125-Q129 WeakPolarHBondContact O-CG 3.42Å; E125-Q129 PolarHBondContact O-N 3.43Å; E125-Q129 VanDerWaalsContact O-N 3.16Å; E125-Q129 PolarHBondContact OE1-NE2 2.73Å; E125-Q179 WeakPolarHBondContact CG-O 3.08Å
126T98.2Very high94.2Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-62-40.6-178.8-57.70000111.7P9 P13 Y100 R122 G123 L124 Q129 L130 V145 K181P9-T126 HydrophobicContact CB-CG2 4.09Å; P13-T126 HydrophobicContact CG-CG2 4.31Å; Y100-T126 PolarHBondContact OH-OG1 3Å; R122-T126 PolarHBondContact O-N 3.29Å; R122-T126 VanDerWaalsContact O-N 3.12Å; R122-T126 PolarHBondContact O-OG1 3.24Å; G123-T126 PolarHBondContact O-N 3.23Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.45Å; T126-Q129 PolarHBondContact O-N 3.11Å; T126-L130 WeakPolarHBondContact O-CG 3.3Å; T126-L130 PolarHBondContact O-N 2.95Å; T126-V145 HydrophobicContact CG2-CG1 4.47Å; T126-V145 HydrophobicContact CG2-CG2 4.43Å; T126-K181 VanDerWaalsContact OG1-CE 3.23Å; T126-K181 WeakPolarHBondContact OG1-CE 3.38Å; T126-K181 PolarHBondContact OG1-NZ 3.31Å
127F97.5Very high93.5Very high8 Ų830.5 Ų30.54%0.03517%0.165CC..Hα-helixtrans-60.5-44.1173.8174.4-104000112F30 F80 L102 M104 I110 G123 L124 E125 Q129 L130 V140F30-F127 HydrophobicContact CE2-CE1 4.18Å; F30-F127 AromaticContact CE2-CZ 3.79Å; F30-F127 HydrophobicContact CE2-CZ 3.79Å; F30-F127 AromaticContact CZ-CE1 3.75Å; F30-F127 HydrophobicContact CZ-CE1 3.75Å; F30-F127 AromaticContact CZ-CZ 3.84Å; F30-F127 HydrophobicContact CZ-CZ 3.84Å; F80-F127 HydrophobicContact CD2-CD1 4.26Å; F80-F127 HydrophobicContact CD2-CD2 4.11Å; F80-F127 HydrophobicContact CD2-CE1 4.06Å; F80-F127 AromaticContact CD2-CE2 3.88Å; F80-F127 HydrophobicContact CD2-CE2 3.88Å; F80-F127 HydrophobicContact CD2-CG 4.28Å; F80-F127 AromaticContact CD2-CZ 3.85Å; F80-F127 HydrophobicContact CD2-CZ 3.85Å; F80-F127 HydrophobicContact CE2-CB 4.03Å; F80-F127 AromaticContact CE2-CD1 3.71Å; F80-F127 HydrophobicContact CE2-CD1 3.71Å; F80-F127 AromaticContact CE2-CD2 3.46Å; F80-F127 HydrophobicContact CE2-CD2 3.46Å; F80-F127 VanDerWaalsContact CE2-CD2 3.46Å; F80-F127 AromaticContact CE2-CE1 3.98Å; F80-F127 HydrophobicContact CE2-CE1 3.98Å; F80-F127 AromaticContact CE2-CE2 3.72Å; F80-F127 HydrophobicContact CE2-CE2 3.72Å; F80-F127 AromaticContact CE2-CG 3.43Å; F80-F127 HydrophobicContact CE2-CG 3.43Å; F80-F127 VanDerWaalsContact CE2-CG 3.43Å; F80-F127 AromaticContact CE2-CZ 3.98Å; F80-F127 HydrophobicContact CE2-CZ 3.98Å; F80-F127 HydrophobicContact CZ-CB 4.24Å; F80-F127 HydrophobicContact CZ-CD1 4.29Å; F80-F127 HydrophobicContact CZ-CD2 4.44Å; F80-F127 HydrophobicContact CZ-CG 4.06Å; L102-F127 HydrophobicContact CD2-CB 4.11Å; L102-F127 HydrophobicContact CD2-CD2 4.38Å; M104-F127 HydrophobicContact CE-CD2 3.66Å; M104-F127 HydrophobicContact CE-CE2 3.89Å; I110-F127 HydrophobicContact CD1-CE2 3.8Å; I110-F127 HydrophobicContact CD1-CZ 4.2Å; I110-F127 HydrophobicContact CG2-CD2 4.46Å; I110-F127 HydrophobicContact CG2-CE2 4.33Å; G123-F127 WeakPolarHBondContact O-CB 3.44Å; G123-F127 PolarHBondContact O-N 2.97Å; L124-F127 PolarHBondContact O-N 3.23Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 3.03Å; F127-Q129 PolarHBondContact O-N 3.25Å; F127-L130 WeakPolarHBondContact O-CB 3.29Å; F127-L130 PolarHBondContact O-N 3.47Å; F127-V140 HydrophobicContact CD2-CG1 4.34Å; F127-V140 HydrophobicContact CE2-CG1 3.73Å; F127-V140 HydrophobicContact CE2-CG2 4.16Å; F127-V140 HydrophobicContact CZ-CG1 4.43Å; F127-V140 HydrophobicContact CZ-CG2 4.06Å
128S95.7Very high93.2Very high17 Ų1731.9 Ų31.912%0.11917%0.172CC..Hα-helixtrans-58.9-34.7178.785.20000112.2L124 E125 L130 V131L124-S128 PolarHBondContact O-N 2.83Å; E125-S128 WeakPolarHBondContact O-CB 3.16Å; E125-S128 PolarHBondContact O-N 2.77Å; E125-S128 VanDerWaalsContact O-N 3.1Å; E125-S128 PolarHBondContact O-OG 3.07Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 3.13Å; S128-V131 WeakPolarHBondContact O-CB 3.24Å; S128-V131 PolarHBondContact O-N 3.12Å
129Q95.9Very high92.8Very high40 Ų4033.4 Ų33.419%0.18718%0.182CC..Hα-helixtrans-75.3-16177.9-63.7173.6-0.700113.6G7 P9 W10 E125 T126 F127 V131G7-Q129 CarbonylContact C-O 3.58Å; G7-Q129 VanDerWaalsContact CA-O 3.23Å; G7-Q129 WeakPolarHBondContact CA-O 3.19Å; P9-Q129 VanDerWaalsContact CB-OE1 3.27Å; W10-Q129 PolarHBondContact O-NE2 2.67Å; W10-Q129 PolarHBondContact O-OE1 3.02Å; E125-Q129 WeakPolarHBondContact O-CG 3.42Å; E125-Q129 PolarHBondContact O-N 3.43Å; E125-Q129 VanDerWaalsContact O-N 3.16Å; E125-Q129 PolarHBondContact OE1-NE2 2.73Å; T126-Q129 PolarHBondContact O-N 3.11Å; F127-Q129 PolarHBondContact O-N 3.25Å; Q129-V131 VanDerWaalsContact C-N 3.33Å
130L95.9Very high92.6Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-82.2-13173.5-64.3175.7000112.8G7 F16 L102 M104 T126 F127 S128 I132 V140 R141 A143G7-L130 WeakPolarHBondContact O-CD2 3.47Å; F16-L130 HydrophobicContact CE2-CD2 3.9Å; F16-L130 HydrophobicContact CZ-CD2 3.94Å; L102-L130 HydrophobicContact CD2-CD1 3.88Å; M104-L130 HydrophobicContact CE-CD1 3.47Å; M104-L130 VanDerWaalsContact CE-CD1 3.47Å; T126-L130 WeakPolarHBondContact O-CG 3.3Å; T126-L130 PolarHBondContact O-N 2.95Å; F127-L130 WeakPolarHBondContact O-CB 3.29Å; F127-L130 PolarHBondContact O-N 3.47Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 3.13Å; L130-I132 PolarHBondContact O-N 3.28Å; L130-V140 HydrophobicContact CB-CG1 4.06Å; L130-R141 PolarHBondContact O-N 2.94Å; L130-A143 HydrophobicContact CD1-CB 4.11Å; L130-A143 HydrophobicContact CD2-CB 4.28Å
131V93.8Very high92.4Very high16 Ų1636.7 Ų36.710%0.09719%0.194CC..EExtended strand (participates in β ladder)trans-71.7119.4175.3-176.70000109.6L25 V52 S128 Q129 V140L25-V131 HydrophobicContact CD2-CB 4.47Å; L25-V131 HydrophobicContact CD2-CG1 3.7Å; L25-V131 HydrophobicContact CD2-CG2 3.91Å; V52-V131 HydrophobicContact CG1-CG2 4.33Å; V52-V131 HydrophobicContact CG2-CG2 4.34Å; S128-V131 WeakPolarHBondContact O-CB 3.24Å; S128-V131 PolarHBondContact O-N 3.12Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; V131-V140 HydrophobicContact CG2-CG2 4.38Å
132I91.3Very high92.3Very high28 Ų2836.7 Ų36.714%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-100.9123.3174.4-58.5176.9000107.9L130 G134 V139 R141L130-I132 PolarHBondContact O-N 3.28Å; I132-G134 PolarHBondContact O-N 3.46Å; I132-V139 HydrophobicContact CB-CG2 3.88Å; I132-V139 HydrophobicContact CG2-CG2 4.47Å; I132-V139 PolarHBondContact N-O 3.23Å; I132-V139 PolarHBondContact O-N 2.93Å; I132-R141 HydrophobicContact CD1-CB 4.03Å
133R87.8Confident92.2Very high77 Ų7736.6 Ų36.629%0.29119%0.193SC..  trans-79.3115.4176.6-56.5-56.5-178.3169.1-2.3110.6V51 V52 D138V51-R133 PolarHBondContact O-NH2 2.87Å; V52-R133 VanDerWaalsContact C-NH2 3.29Å; V52-R133 VanDerWaalsContact CA-NH2 3.32Å; V52-R133 PolarHBondContact O-NH1 2.84Å; V52-R133 PolarHBondContact O-NH2 3.3Å; R133-D138 WeakPolarHBondContact CA-OD1 3.44Å; R133-D138 WeakPolarHBondContact CD-OD2 3.43Å; R133-D138 IonicContact CZ-OD2 3.95Å; R133-D138 IonicContact NE-OD2 3.94Å; R133-D138 IonicContact NH1-OD2 3.56Å; R133-D138 PolarHBondContact NH1-OD2 3.44Å
134G82.2Confident92.2Very high31 Ų3138.7 Ų38.732%0.3221%0.205SC..  trans-87.6173.417300000111.7I132 V137 D138I132-G134 PolarHBondContact O-N 3.46Å; G134-V137 WeakPolarHBondContact CA-O 3.4Å; G134-D138 PolarHBondContact N-OD1 3.22Å
135E80.5Confident92.2Very high203 Ų20338.5 Ų38.595%0.94920%0.203SC*.SBendtrans-74.1-35.4169.5-66.5-175.9170.300111.6
136T78.8Confident92.3Very high134 Ų13443.2 Ų43.282%0.82222%0.224SC*.SBendtrans-116.6-39.1-175.4530000113.2
137V83.6Confident92.3Very high65 Ų6543.3 Ų43.339%0.39422%0.224SC..  trans-139.1128.7-174.2177.30000108.9T24 G134 V139T24-V137 HydrophobicContact CG2-CG1 3.53Å; G134-V137 WeakPolarHBondContact CA-O 3.4Å; V137-V139 HydrophobicContact CG1-CG1 4.49Å
138D89.7Confident92.3Very high28 Ų2847.7 Ų47.715%0.1524%0.241CC..EExtended strand (participates in β ladder)trans-79.3145.1171.4-69.1-19.5000109.9L25 R133 G134L25-D138 HydrophobicContact CB-CB 4.43Å; L25-D138 PolarHBondContact N-O 3.26Å; R133-D138 WeakPolarHBondContact CA-OD1 3.44Å; R133-D138 WeakPolarHBondContact CD-OD2 3.43Å; R133-D138 IonicContact CZ-OD2 3.95Å; R133-D138 IonicContact NE-OD2 3.94Å; R133-D138 IonicContact NH1-OD2 3.56Å; R133-D138 PolarHBondContact NH1-OD2 3.44Å; G134-D138 PolarHBondContact N-OD1 3.22Å
139V91.6Very high92.5Very high33 Ų3348 Ų4820%0.224%0.243CC..EExtended strand (participates in β ladder)trans-132147.6179.2-58.80000110.5N22 L23 I132 V137N22-V139 HydrophobicContact CB-CB 4.3Å; N22-V139 HydrophobicContact CB-CG2 4.43Å; L23-V139 CarbonylContact O-C 3.56Å; L23-V139 VanDerWaalsContact O-CA 3.22Å; L23-V139 WeakPolarHBondContact O-CA 3.44Å; I132-V139 HydrophobicContact CB-CG2 3.88Å; I132-V139 HydrophobicContact CG2-CG2 4.47Å; I132-V139 PolarHBondContact N-O 3.23Å; I132-V139 PolarHBondContact O-N 2.93Å; V137-V139 HydrophobicContact CG1-CG1 4.49Å
140V93.3Very high92.5Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-92.1125.5166.2-172.70000108.2N22 L23 L25 M104 F127 L130 V131 G142N22-V140 WeakPolarHBondContact CA-O 3.25Å; L23-V140 HydrophobicContact CB-CB 4.36Å; L23-V140 PolarHBondContact N-O 3.1Å; L23-V140 PolarHBondContact O-N 3.11Å; L25-V140 HydrophobicContact CB-CG2 4.13Å; L25-V140 HydrophobicContact CD1-CG2 4.14Å; L25-V140 HydrophobicContact CD2-CG2 3.96Å; L25-V140 HydrophobicContact CG-CG2 4.31Å; M104-V140 HydrophobicContact CE-CG1 3.64Å; M104-V140 HydrophobicContact SD-CG1 4.05Å; F127-V140 HydrophobicContact CD2-CG1 4.34Å; F127-V140 HydrophobicContact CE2-CG1 3.73Å; F127-V140 HydrophobicContact CE2-CG2 4.16Å; F127-V140 HydrophobicContact CZ-CG1 4.43Å; F127-V140 HydrophobicContact CZ-CG2 4.06Å; L130-V140 HydrophobicContact CB-CG1 4.06Å; V131-V140 HydrophobicContact CG2-CG2 4.38Å; V140-G142 PolarHBondContact O-N 3.22Å
141R93.7Very high92.6Very high70 Ų7048.3 Ų48.326%0.26424%0.242SC..EExtended strand (participates in β ladder)trans-66.3123.3171.8-173.7-178.6-69.5-84.6-0.1109.5Y6 G7 L18 N22 L130 I132 A143Y6-R141 VanDerWaalsContact O-CZ 3.3Å; Y6-R141 PolarHBondContact O-NE 3.24Å; Y6-R141 PolarHBondContact O-NH2 3.24Å; G7-R141 WeakPolarHBondContact O-CD 3.44Å; G7-R141 PolarHBondContact O-NE 2.76Å; L18-R141 VanDerWaalsContact CD2-CD 3.47Å; L18-R141 HydrophobicContact CD2-CG 4.1Å; N22-R141 WeakPolarHBondContact OD1-CA 3.5Å; L130-R141 PolarHBondContact O-N 2.94Å; I132-R141 HydrophobicContact CD1-CB 4.03Å; R141-A143 PolarHBondContact O-N 3.02Å
142G95Very high92.8Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-64.7121.4177.400000111.1L19 F21 V140L19-G142 PolarHBondContact N-O 2.75Å; F21-G142 WeakPolarHBondContact O-CA 3.35Å; F21-G142 PolarHBondContact O-N 3.04Å; F21-G142 VanDerWaalsContact O-N 3.08Å; V140-G142 PolarHBondContact O-N 3.22Å
143A97.4Very high93.2Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-149.1148.3176.300000111.5F16 E17 M104 L130 R141 V145F16-A143 HydrophobicContact CE2-CB 3.77Å; F16-A143 HydrophobicContact CZ-CB 3.9Å; E17-A143 CarbonylContact O-C 3.51Å; E17-A143 WeakPolarHBondContact O-CA 3.03Å; M104-A143 VanDerWaalsContact CG-O 3.26Å; M104-A143 WeakPolarHBondContact CG-O 3.09Å; M104-A143 PolarHBondContact SD-N 3.18Å; L130-A143 HydrophobicContact CD1-CB 4.11Å; L130-A143 HydrophobicContact CD2-CB 4.28Å; R141-A143 PolarHBondContact O-N 3.02Å; A143-V145 HydrophobicContact CB-CG2 4.47Å
144N98.2Very high93.7Very high44 Ų4444.9 Ų44.924%0.23523%0.233CC..EExtended strand (participates in β ladder)trans-103.6131.1161.7-71.5-29.7000109.1E17 L102 M104E17-N144 HydrophobicContact CB-CB 4.31Å; E17-N144 PolarHBondContact N-O 3Å; E17-N144 PolarHBondContact O-N 3.43Å; L102-N144 WeakPolarHBondContact O-CA 3.4Å; M104-N144 PolarHBondContact N-OD1 3.15Å
145V98.7Very high94.5Very high1 Ų143.4 Ų43.41%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-125.2132.5-178-170.30000109.4P13 K15 F16 Y100 D101 L102 T126 A143 D147P13-V145 HydrophobicContact CB-CG1 3.48Å; P13-V145 VanDerWaalsContact CB-CG1 3.48Å; P13-V145 HydrophobicContact CG-CG1 3.58Å; K15-V145 WeakPolarHBondContact O-CA 3.49Å; F16-V145 HydrophobicContact CD2-CG2 3.83Å; F16-V145 HydrophobicContact CE2-CG2 4.05Å; Y100-V145 HydrophobicContact CE2-CB 4.47Å; Y100-V145 HydrophobicContact CE2-CG1 3.97Å; D101-V145 CarbonylContact C-O 3.13Å; D101-V145 WeakPolarHBondContact CA-O 3.39Å; L102-V145 HydrophobicContact CB-CB 3.99Å; L102-V145 HydrophobicContact CB-CG2 4.29Å; L102-V145 HydrophobicContact CD2-CG2 4.35Å; L102-V145 PolarHBondContact N-O 2.81Å; L102-V145 PolarHBondContact O-N 3.5Å; T126-V145 HydrophobicContact CG2-CG1 4.47Å; T126-V145 HydrophobicContact CG2-CG2 4.43Å; A143-V145 HydrophobicContact CB-CG2 4.47Å; V145-D147 HydrophobicContact CG1-CB 3.99Å
146K98.7Very high95.3Very high113 Ų11333.7 Ų33.749%0.49117%0.173SC..EExtended strand (participates in β ladder)trans-126.6119.3163.2-50.7-161.1173.7-164.80107.9K15 D101K15-K146 HydrophobicContact CB-CB 4.2Å; K15-K146 PolarHBondContact N-O 3.45Å; K15-K146 PolarHBondContact O-N 2.8Å; D101-K146 VanDerWaalsContact OD1-CB 3.3Å; D101-K146 WeakPolarHBondContact OD1-CB 3.3Å; D101-K146 WeakPolarHBondContact OD1-CD 3.46Å; D101-K146 WeakPolarHBondContact OD1-CG 3.3Å
147D98.8Very high96.3Very high2 Ų227.3 Ų27.31%0.01113%0.134CC..EExtended strand (participates in β ladder)trans-143.8153.1-165.5-158.818.2000113.5P13 Q14 H99 Y100 V145 W470P13-D147 VanDerWaalsContact CA-CG 3.49Å; P13-D147 VanDerWaalsContact CA-OD1 3.25Å; P13-D147 WeakPolarHBondContact CA-OD1 3.49Å; P13-D147 HydrophobicContact CB-CB 3.96Å; Q14-D147 WeakPolarHBondContact CG-OD1 2.95Å; Q14-D147 PolarHBondContact N-OD1 2.83Å; H99-D147 WeakPolarHBondContact CA-O 3.25Å; Y100-D147 HydrophobicContact CD1-CB 4.17Å; Y100-D147 HydrophobicContact CE1-CB 3.5Å; Y100-D147 VanDerWaalsContact CE1-CB 3.5Å; Y100-D147 HydrophobicContact CE2-CB 4.05Å; Y100-D147 PolarHBondContact N-O 3.41Å; Y100-D147 PolarHBondContact O-N 3.27Å; Y100-D147 VanDerWaalsContact OH-CB 3.31Å; Y100-D147 WeakPolarHBondContact OH-CB 3.43Å; Y100-D147 PolarHBondContact OH-OD2 2.92Å; V145-D147 HydrophobicContact CG1-CB 3.99Å; D147-W470 VanDerWaalsContact CG-NE1 3.29Å; D147-W470 PolarHBondContact OD1-NE1 3.05Å; D147-W470 VanDerWaalsContact OD1-NE1 3.1Å; D147-W470 WeakPolarHBondContact OD2-CZ2 3.38Å; D147-W470 PolarHBondContact OD2-NE1 3.35Å
148Y98.6Very high97Very high99 Ų9924.3 Ų24.339%0.38812%0.115SC..  trans-168.4152.7178.455.4-92.8000109.9Q14 H99Q14-Y148 HydrophobicContact CB-CD1 4.3Å; Q14-Y148 HydrophobicContact CB-CE1 3.94Å; Q14-Y148 HydrophobicContact CG-CD1 3.88Å; Q14-Y148 HydrophobicContact CG-CD2 3.92Å; Q14-Y148 HydrophobicContact CG-CE1 3.79Å; Q14-Y148 HydrophobicContact CG-CE2 3.81Å; Q14-Y148 HydrophobicContact CG-CG 3.94Å; Q14-Y148 WeakPolarHBondContact CG-O 3.24Å; Q14-Y148 PolarHBondContact NE2-O 3.3Å; H99-Y148 WeakPolarHBondContact CD2-CB 3.35Å; H99-Y148 AromaticContact CD2-CD1 3.86Å; H99-Y148 AromaticContact CD2-CG 3.66Å; H99-Y148 WeakPolarHBondContact NE2-CB 3.2Å; H99-Y148 AromaticContact NE2-CG 3.71Å
149P98.4Very high97.5Very high23 Ų2323.1 Ų23.115%0.14911%0.109CC..  trans-73.7142179.430.1-35.6000111.9E98 F151 W470E98-P149 HydrophobicContact CB-CG 3.99Å; P149-F151 VanDerWaalsContact C-N 3.29Å; P149-F151 WeakPolarHBondContact CB-O 3.48Å; P149-W470 HydrophobicContact CB-CD2 4.18Å; P149-W470 HydrophobicContact CB-CE3 3.71Å; P149-W470 HydrophobicContact CB-CH2 4.29Å; P149-W470 HydrophobicContact CB-CZ3 3.77Å; P149-W470 HydrophobicContact CG-CH2 4.41Å; P149-W470 HydrophobicContact CG-CZ3 4.16Å
150R97.6Very high97.8Very high44 Ų4421.6 Ų21.617%0.16610%0.099CC..SBendtrans-67.6-30.9171-177177.6178.4-138.2-0.9112.7D422 R424 W470 S471R150-D422 IonicContact CZ-OD1 2.97Å; R150-D422 VanDerWaalsContact CZ-OD1 3.24Å; R150-D422 IonicContact CZ-OD2 3.68Å; R150-D422 IonicContact NH1-OD1 3.01Å; R150-D422 PolarHBondContact NH1-OD1 3.16Å; R150-D422 IonicContact NH1-OD2 3.2Å; R150-D422 PolarHBondContact NH1-OD2 3.44Å; R150-D422 VanDerWaalsContact NH2-CG 3.25Å; R150-D422 IonicContact NH2-OD1 3.2Å; R150-D422 PolarHBondContact NH2-OD1 2.85Å; R150-D422 IonicContact NH2-OD2 2.83Å; R150-D422 PolarHBondContact NH2-OD2 2.69Å; R150-R424 PolarHBondContact O-NH1 3.16Å; R150-W470 WeakPolarHBondContact CB-O 3.41Å; R150-W470 PolarHBondContact N-O 3.48Å; R150-S471 VanDerWaalsContact CD-O 3.29Å; R150-S471 WeakPolarHBondContact CD-O 3.43Å
151F97.8Very high98Very high3 Ų321.6 Ų21.61%0.01310%0.099CC..  trans-130.9136.1-179-64.8-82.4000111.1P149 R154 P423 R424 I437 I438 G439 L469P149-F151 VanDerWaalsContact C-N 3.29Å; P149-F151 WeakPolarHBondContact CB-O 3.48Å; F151-R154 WeakPolarHBondContact O-CG 3.41Å; F151-R154 PolarHBondContact O-NH1 3.39Å; F151-P423 HydrophobicContact CE1-CB 4.11Å; F151-P423 HydrophobicContact CE2-CG 4.34Å; F151-P423 HydrophobicContact CZ-CB 3.86Å; F151-P423 HydrophobicContact CZ-CG 4.07Å; F151-R424 HydrophobicContact CE1-CG 3.7Å; F151-R424 VanDerWaalsContact CE1-CZ 3.41Å; F151-R424 VanDerWaalsContact CE1-NE 3.27Å; F151-R424 HydrophobicContact CZ-CB 4.38Å; F151-R424 HydrophobicContact CZ-CG 3.76Å; F151-I437 HydrophobicContact CE1-CG2 4.27Å; F151-I438 WeakPolarHBondContact CB-O 3.33Å; F151-G439 VanDerWaalsContact CD1-CA 3.48Å; F151-L469 HydrophobicContact CB-CD2 4.48Å; F151-L469 HydrophobicContact CD2-CB 4.47Å; F151-L469 HydrophobicContact CD2-CD2 3.91Å; F151-L469 WeakPolarHBondContact CD2-O 3.4Å; F151-L469 HydrophobicContact CE2-CD2 4.32Å; F151-L469 HydrophobicContact CG-CD2 4.27Å; F151-L469 PolarHBondContact N-O 2.81Å
152S97.7Very high98.2Very high47 Ų4718.9 Ų18.933%0.3299%0.089SC..SBendtrans-80-20.9-177.358.50000113.2N183 I438S152-N183 PolarHBondContact O-ND2 2.96Å; S152-N183 PolarHBondContact O-OD1 3.23Å; S152-I438 PolarHBondContact N-O 3.44Å
153H98.6Very high98.4Very high1 Ų122.2 Ų22.21%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-111.1106179-165.7102.2000110.5R235 Y303 I399 I438 G439 G440 E441H153-R235 PolarHBondContact ND1-NH1 3.15Å; H153-Y303 AromaticContact ND1-CE2 3.89Å; H153-I399 WeakPolarHBondContact NE2-CD1 3.28Å; H153-I438 HydrophobicContact CB-CD1 4.22Å; H153-I438 HydrophobicContact CB-CG1 4.23Å; H153-I438 PolarHBondContact N-O 3.39Å; H153-I438 VanDerWaalsContact N-O 3.16Å; H153-G439 CarbonylContact O-C 3.59Å; H153-G439 VanDerWaalsContact O-CA 3.26Å; H153-G439 WeakPolarHBondContact O-CA 3.44Å; H153-G440 PolarHBondContact O-N 3.13Å; H153-E441 IonicContact CD2-OE1 3.39Å; H153-E441 IonicContact CE1-OE1 2.73Å; H153-E441 IonicContact NE2-OE1 3.18Å; H153-E441 PolarHBondContact NE2-OE1 2.8Å
154R98.8Very high98.5Very high1 Ų123.9 Ų23.90%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-129.295.6-177.9-50.4-177.6-61.6-69.5-6.8107.6E98 F151 K181 F182 N183 V184 L469E98-R154 IonicContact OE1-CZ 3.57Å; E98-R154 IonicContact OE1-NH2 3.45Å; E98-R154 PolarHBondContact OE1-NH2 2.89Å; E98-R154 IonicContact OE2-CZ 3.25Å; E98-R154 VanDerWaalsContact OE2-CZ 3.26Å; E98-R154 IonicContact OE2-NH1 3.81Å; E98-R154 PolarHBondContact OE2-NH1 3.1Å; E98-R154 IonicContact OE2-NH2 2.7Å; E98-R154 PolarHBondContact OE2-NH2 3.02Å; F151-R154 WeakPolarHBondContact O-CG 3.41Å; F151-R154 PolarHBondContact O-NH1 3.39Å; R154-K181 VanDerWaalsContact CZ-O 3.27Å; R154-K181 PolarHBondContact NE-O 3.1Å; R154-K181 PolarHBondContact NH2-O 3.03Å; R154-F182 VanDerWaalsContact C-CD1 3.5Å; R154-F182 HydrophobicContact CB-CD1 4.15Å; R154-F182 WeakPolarHBondContact O-CD1 3.23Å; R154-N183 PolarHBondContact N-OD1 3.34Å; R154-N183 PolarHBondContact NH1-ND2 3.35Å; R154-N183 PolarHBondContact NH2-ND2 3.49Å; R154-N183 PolarHBondContact O-N 2.6Å; R154-N183 PolarHBondContact O-OD1 2.96Å; R154-V184 PolarHBondContact O-N 3.31Å; R154-V184 VanDerWaalsContact O-N 3.09Å; R154-L469 HydrophobicContact CB-CB 4.35Å; R154-L469 HydrophobicContact CB-CD1 4.24Å; R154-L469 HydrophobicContact CG-CB 3.83Å; R154-L469 HydrophobicContact CG-CD1 4.46Å
155G98.8Very high98.5Very high0 Ų021.9 Ų21.90%010%0.101CC..EExtended strand (participates in β ladder)trans-111.9158.2-167.700000115.9F182 V184 G440 E441 V442G155-F182 VanDerWaalsContact O-CE1 3.3Å; G155-F182 WeakPolarHBondContact O-CE1 3.14Å; G155-V184 CarbonylContact C-O 3.54Å; G155-V184 WeakPolarHBondContact CA-O 3.44Å; G155-G440 PolarHBondContact N-O 3.38Å; G155-E441 CarbonylContact O-C 3.56Å; G155-E441 VanDerWaalsContact O-CA 3.23Å; G155-E441 WeakPolarHBondContact O-CA 3.5Å; G155-V442 PolarHBondContact O-N 3.49Å
156I98.9Very high98.5Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-124.4124.2164.1-58.8-164.7000107.6L158 M177 F182 V184 H186 V442 L458 W459 A462I156-L158 HydrophobicContact CG2-CD2 4.29Å; I156-L158 HydrophobicContact CG2-CG 4.44Å; I156-M177 HydrophobicContact CB-CE 4.19Å; I156-M177 HydrophobicContact CB-SD 4.12Å; I156-M177 HydrophobicContact CD1-CG 3.6Å; I156-M177 HydrophobicContact CD1-SD 4.32Å; I156-M177 HydrophobicContact CG1-CE 4.3Å; I156-M177 HydrophobicContact CG1-CG 4.12Å; I156-M177 HydrophobicContact CG1-SD 4.35Å; I156-F182 HydrophobicContact CD1-CD1 4.27Å; I156-F182 HydrophobicContact CD1-CD2 4.19Å; I156-F182 HydrophobicContact CD1-CE1 4.38Å; I156-F182 HydrophobicContact CD1-CE2 4.27Å; I156-F182 HydrophobicContact CD1-CG 4.19Å; I156-F182 HydrophobicContact CD1-CZ 4.37Å; I156-F182 HydrophobicContact CG1-CD1 3.65Å; I156-F182 HydrophobicContact CG1-CD2 4.45Å; I156-F182 HydrophobicContact CG1-CE1 3.82Å; I156-F182 HydrophobicContact CG1-CG 4Å; I156-F182 HydrophobicContact CG1-CZ 4.27Å; I156-V184 PolarHBondContact N-O 3.01Å; I156-H186 PolarHBondContact O-N 3.25Å; I156-V442 CarbonylContact C-O 3.49Å; I156-V442 WeakPolarHBondContact CA-O 3.11Å; I156-V442 HydrophobicContact CG1-CB 4.35Å; I156-L458 HydrophobicContact CD1-CD1 4.47Å; I156-L458 HydrophobicContact CD1-CD2 4.03Å; I156-L458 HydrophobicContact CD1-CG 4.45Å; I156-L458 HydrophobicContact CG2-CD1 4.04Å; I156-L458 HydrophobicContact CG2-CD2 3.83Å; I156-W459 HydrophobicContact CD1-CH2 3.48Å; I156-W459 VanDerWaalsContact CD1-CH2 3.48Å; I156-W459 HydrophobicContact CD1-CZ2 3.35Å; I156-A462 HydrophobicContact CD1-CB 4.18Å
157L98.9Very high98.5Very high0 Ų019.2 Ų19.20%010%0.096CC..EExtended strand (participates in β ladder)trans-88.6122.9168.7-177.6164000109.2D159 H186 H188 W360 V442 C443 L444 W445L157-D159 HydrophobicContact CD2-CB 4.33Å; L157-H186 VanDerWaalsContact CA-O 3.26Å; L157-H186 WeakPolarHBondContact CA-O 3.33Å; L157-H186 HydrophobicContact CB-CB 4.05Å; L157-H186 HydrophobicContact CG-CB 4.5Å; L157-H188 HydrophobicContact CD1-CB 4.42Å; L157-H188 HydrophobicContact CD2-CB 4.05Å; L157-H188 HydrophobicContact CG-CB 4.16Å; L157-W360 HydrophobicContact CD1-CH2 3.67Å; L157-W360 HydrophobicContact CD1-CZ2 3.68Å; L157-V442 PolarHBondContact N-O 2.7Å; L157-C443 HydrophobicContact CB-CB 4.44Å; L157-L444 PolarHBondContact O-N 3.45Å; L157-W445 HydrophobicContact CD1-CH2 3.72Å; L157-W445 HydrophobicContact CD1-CZ2 3.94Å; L157-W445 HydrophobicContact CD1-CZ3 4.14Å; L157-W445 HydrophobicContact CD2-CD2 4.2Å; L157-W445 HydrophobicContact CD2-CE3 3.9Å; L157-W445 HydrophobicContact CD2-CH2 4.3Å; L157-W445 HydrophobicContact CD2-CZ3 3.96Å
158L98.8Very high98.5Very high2 Ų224.2 Ų24.21%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-113.1133.5161.1-60.4-178.9000109.4I156 L165 N173 F185 H186 H188 L444 V454 L458I156-L158 HydrophobicContact CG2-CD2 4.29Å; I156-L158 HydrophobicContact CG2-CG 4.44Å; L158-L165 HydrophobicContact CB-CD1 4.14Å; L158-L165 HydrophobicContact CD1-CD1 3.96Å; L158-N173 HydrophobicContact CD1-CB 4.25Å; L158-N173 WeakPolarHBondContact CD1-ND2 3.33Å; L158-F185 HydrophobicContact CB-CE2 3.85Å; L158-F185 HydrophobicContact CB-CZ 4.43Å; L158-F185 HydrophobicContact CD1-CE2 3.88Å; L158-F185 HydrophobicContact CD1-CZ 4.44Å; L158-F185 HydrophobicContact CG-CE2 3.88Å; L158-H186 PolarHBondContact N-O 2.97Å; L158-H186 VanDerWaalsContact N-O 3.14Å; L158-H188 PolarHBondContact O-N 2.88Å; L158-L444 HydrophobicContact CD2-CB 4.21Å; L158-L444 HydrophobicContact CD2-CD2 4.29Å; L158-V454 HydrophobicContact CD2-CG2 3.92Å; L158-L458 HydrophobicContact CD2-CD2 4.28Å
159D98.8Very high98.5Very high3 Ų320.4 Ų20.42%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-95.7114.6174.6167.55.5000109.3L157 A161 R162 H188 W445 G446L157-D159 HydrophobicContact CD2-CB 4.33Å; D159-A161 PolarHBondContact OD1-N 3.07Å; D159-R162 WeakPolarHBondContact OD1-CD 3.32Å; D159-R162 PolarHBondContact OD1-N 3.38Å; D159-R162 WeakPolarHBondContact OD2-CB 3.15Å; D159-R162 WeakPolarHBondContact OD2-CD 3.42Å; D159-R162 WeakPolarHBondContact OD2-CG 3.5Å; D159-R162 IonicContact OD2-CZ 3Å; D159-R162 IonicContact OD2-NE 3.66Å; D159-R162 IonicContact OD2-NH1 2.85Å; D159-R162 PolarHBondContact OD2-NH1 2.9Å; D159-H188 WeakPolarHBondContact CA-O 3.46Å; D159-H188 HydrophobicContact CB-CB 4.43Å; D159-H188 IonicContact OD1-CD2 3.32Å; D159-W445 HydrophobicContact CB-CE3 4.01Å; D159-G446 WeakPolarHBondContact OD2-CA 3.48Å; D159-G446 PolarHBondContact OD2-N 3.11Å
160T98.8Very high98.5Very high0 Ų019.3 Ų19.30%010%0.098CC..SBendtrans-105.19.2-179.964.40000113H163 L165 I170 W187 H188 I189 Y217T160-H163 CarbonylContact C-O 3.49Å; T160-H163 VanDerWaalsContact CA-O 3.24Å; T160-H163 WeakPolarHBondContact CA-O 3.42Å; T160-L165 HydrophobicContact CG2-CB 4.01Å; T160-L165 HydrophobicContact CG2-CD1 4.04Å; T160-L165 HydrophobicContact CG2-CG 4.06Å; T160-I170 HydrophobicContact CG2-CD1 4.2Å; T160-W187 VanDerWaalsContact CG2-NE1 3.28Å; T160-W187 PolarHBondContact OG1-NE1 3.01Å; T160-H188 PolarHBondContact N-O 3.03Å; T160-H188 PolarHBondContact OG1-O 2.79Å; T160-I189 WeakPolarHBondContact OG1-CA 3.07Å; T160-I189 PolarHBondContact OG1-O 3.45Å; T160-Y217 VanDerWaalsContact CB-OH 3.23Å; T160-Y217 WeakPolarHBondContact CB-OH 3.22Å; T160-Y217 HydrophobicContact CG2-CE2 4.35Å; T160-Y217 WeakPolarHBondContact CG2-OH 3.07Å; T160-Y217 WeakPolarHBondContact OG1-CE2 3.42Å
161A98.2Very high98.6Very high0 Ų018.6 Ų18.60%010%0.096CC..SBendtrans-100.1-42-177.700000111.6D159 H163 V190 D191 S194 Y211D159-A161 PolarHBondContact OD1-N 3.07Å; A161-H163 VanDerWaalsContact C-N 3.33Å; A161-V190 VanDerWaalsContact CB-C 3.46Å; A161-D191 HydrophobicContact CB-CB 3.5Å; A161-D191 VanDerWaalsContact CB-CB 3.5Å; A161-S194 WeakPolarHBondContact CA-OG 3.28Å; A161-S194 WeakPolarHBondContact O-CB 3.18Å; A161-S194 PolarHBondContact O-OG 2.7Å; A161-Y211 WeakPolarHBondContact O-CE2 3.43Å; A161-Y211 PolarHBondContact O-OH 2.73Å
162R97.5Very high98.6Very high13 Ų1322.5 Ų22.55%0.04912%0.115CC..SBendtrans-68.8-34.6177.3-79.450.4172.9-83.88.9111.7D159 D191 Y211 H245 W445 G446 E447D159-R162 WeakPolarHBondContact OD1-CD 3.32Å; D159-R162 PolarHBondContact OD1-N 3.38Å; D159-R162 WeakPolarHBondContact OD2-CB 3.15Å; D159-R162 WeakPolarHBondContact OD2-CD 3.42Å; D159-R162 WeakPolarHBondContact OD2-CG 3.5Å; D159-R162 IonicContact OD2-CZ 3Å; D159-R162 IonicContact OD2-NE 3.66Å; D159-R162 IonicContact OD2-NH1 2.85Å; D159-R162 PolarHBondContact OD2-NH1 2.9Å; R162-D191 IonicContact CZ-OD1 3.49Å; R162-D191 IonicContact CZ-OD2 2.84Å; R162-D191 IonicContact NE-OD1 2.75Å; R162-D191 PolarHBondContact NE-OD1 3.16Å; R162-D191 IonicContact NE-OD2 2.79Å; R162-D191 PolarHBondContact NE-OD2 2.79Å; R162-D191 IonicContact NH2-OD1 3.24Å; R162-D191 PolarHBondContact NH2-OD1 3.48Å; R162-D191 IonicContact NH2-OD2 3.36Å; R162-D191 PolarHBondContact NH2-OD2 3.35Å; R162-Y211 PolarHBondContact O-OH 3.3Å; R162-H245 PolarHBondContact NH2-ND1 2.73Å; R162-W445 VanDerWaalsContact NH1-CE3 3.33Å; R162-G446 VanDerWaalsContact CB-C 3.41Å; R162-E447 HydrophobicContact CG-CG 3.95Å; R162-E447 IonicContact NH1-OE1 2.87Å
163H98.6Very high98.6Very high71 Ų7120.3 Ų20.333%0.32910%0.099SC..SBendtrans-143143.6159.3-70.292.7000108.7T160 A161 G446 E447 V449 D450T160-H163 CarbonylContact C-O 3.49Å; T160-H163 VanDerWaalsContact CA-O 3.24Å; T160-H163 WeakPolarHBondContact CA-O 3.42Å; A161-H163 VanDerWaalsContact C-N 3.33Å; H163-G446 PolarHBondContact ND1-O 2.78Å; H163-E447 PolarHBondContact CE1-O 3.01Å; H163-V449 WeakPolarHBondContact CB-O 3.28Å; H163-D450 HydrophobicContact CB-CB 3.87Å
164F98.8Very high98.6Very high35 Ų3520.3 Ų20.315%0.15410%0.099CC..  trans-70.2137.7175.7179-92.6000110.7P196 H215 Y217F164-P196 HydrophobicContact CD2-CB 4Å; F164-P196 HydrophobicContact CE2-CB 4.36Å; F164-H215 HydrophobicContact CB-CB 3.89Å; F164-H215 HydrophobicContact CD1-CB 4.26Å; F164-H215 AromaticContact CD1-CD2 3.65Å; F164-H215 VanDerWaalsContact CD2-C 3.48Å; F164-H215 HydrophobicContact CD2-CB 3.82Å; F164-H215 HydrophobicContact CE2-CB 4.41Å; F164-H215 HydrophobicContact CG-CB 3.73Å; F164-H215 AromaticContact CG-CD2 3.75Å; F164-Y217 HydrophobicContact CD2-CE1 4.23Å; F164-Y217 AromaticContact CD2-CE2 3.92Å; F164-Y217 HydrophobicContact CD2-CE2 3.92Å; F164-Y217 AromaticContact CD2-CZ 3.7Å; F164-Y217 AromaticContact CE2-CD1 3.82Å; F164-Y217 HydrophobicContact CE2-CD1 3.82Å; F164-Y217 HydrophobicContact CE2-CD2 4.1Å; F164-Y217 AromaticContact CE2-CE1 3.41Å; F164-Y217 HydrophobicContact CE2-CE1 3.41Å; F164-Y217 VanDerWaalsContact CE2-CE1 3.41Å; F164-Y217 AromaticContact CE2-CE2 3.72Å; F164-Y217 HydrophobicContact CE2-CE2 3.72Å; F164-Y217 HydrophobicContact CE2-CG 4.14Å; F164-Y217 AromaticContact CE2-CZ 3.35Å; F164-Y217 HydrophobicContact CZ-CD1 4.1Å; F164-Y217 AromaticContact CZ-CE1 3.62Å; F164-Y217 HydrophobicContact CZ-CE1 3.62Å; F164-Y217 AromaticContact CZ-CZ 3.96Å
165L98.8Very high98.6Very high2 Ų222.6 Ų22.61%0.0111%0.11CC..  trans-109.8133.4172.4-62.7-174.1000110.7L158 T160 I169 I170 Y217 D451 V454L158-L165 HydrophobicContact CB-CD1 4.14Å; L158-L165 HydrophobicContact CD1-CD1 3.96Å; T160-L165 HydrophobicContact CG2-CB 4.01Å; T160-L165 HydrophobicContact CG2-CD1 4.04Å; T160-L165 HydrophobicContact CG2-CG 4.06Å; L165-I169 HydrophobicContact CB-CG2 3.71Å; L165-I169 HydrophobicContact CD1-CG2 4.5Å; L165-I169 HydrophobicContact CD2-CG2 4.35Å; L165-I169 HydrophobicContact CG-CG2 4.41Å; L165-I170 HydrophobicContact CB-CD1 4.23Å; L165-I170 HydrophobicContact CB-CG1 4.06Å; L165-Y217 PolarHBondContact N-OH 2.67Å; L165-Y217 VanDerWaalsContact N-OH 3.14Å; L165-Y217 VanDerWaalsContact O-CE1 3.26Å; L165-Y217 WeakPolarHBondContact O-CE1 3.44Å; L165-Y217 VanDerWaalsContact O-CZ 3.31Å; L165-Y217 PolarHBondContact O-OH 2.69Å; L165-D451 WeakPolarHBondContact CA-OD1 3.46Å; L165-V454 HydrophobicContact CD1-CG2 4.18Å; L165-V454 HydrophobicContact CD2-CB 4.43Å; L165-V454 HydrophobicContact CD2-CG1 4.4Å
166S98.6Very high98.6Very high34 Ų3424.3 Ų24.324%0.23812%0.119CC..  trans-63.3151.5177.2620000112.5E168 I169 I170 D451S166-E168 PolarHBondContact O-N 3.44Å; S166-E168 VanDerWaalsContact O-N 3.16Å; S166-I169 WeakPolarHBondContact O-CG2 3.49Å; S166-I169 PolarHBondContact O-N 2.83Å; S166-I169 VanDerWaalsContact O-N 3.15Å; S166-I169 PolarHBondContact OG-N 2.85Å; S166-I170 WeakPolarHBondContact O-CG1 3.48Å; S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.12Å; S166-D451 WeakPolarHBondContact CB-OD2 3.45Å; S166-D451 PolarHBondContact N-OD1 3.18Å; S166-D451 PolarHBondContact N-OD2 3.32Å; S166-D451 PolarHBondContact OG-OD2 3.18Å
167V98.7Very high98.6Very high23 Ų2324.3 Ų24.314%0.13912%0.119CC..Hα-helixtrans-53.3-37.9174.1174.30000111I170 K171 Y217 D221 I225V167-I170 PolarHBondContact O-N 3.05Å; V167-K171 HydrophobicContact CG1-CD 3.78Å; V167-K171 HydrophobicContact CG1-CG 4.48Å; V167-K171 VanDerWaalsContact O-CG 3.32Å; V167-K171 WeakPolarHBondContact O-CG 3.15Å; V167-K171 PolarHBondContact O-N 3.42Å; V167-Y217 HydrophobicContact CG2-CD1 4.4Å; V167-D221 HydrophobicContact CG2-CB 3.73Å; V167-I225 HydrophobicContact CG1-CD1 4.23Å; V167-I225 HydrophobicContact CG1-CG1 4.01Å; V167-I225 HydrophobicContact CG2-CD1 4.26Å
168E98.5Very high98.5Very high107 Ų10724.3 Ų24.350%0.512%0.119SC..Hα-helixtrans-68.3-41.1-178.8-154.467.1-17800112.4S166 I170 K171 Q172S166-E168 PolarHBondContact O-N 3.44Å; S166-E168 VanDerWaalsContact O-N 3.16Å; E168-I170 VanDerWaalsContact C-N 3.34Å; E168-K171 PolarHBondContact O-N 3.3Å; E168-K171 IonicContact OE2-NZ 3.69Å; E168-K171 PolarHBondContact OE2-NZ 3.23Å; E168-K171 VanDerWaalsContact OE2-NZ 3.14Å; E168-Q172 VanDerWaalsContact O-CG 3.31Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.31Å
169I98.5Very high98.4Very high19 Ų1926.7 Ų26.710%0.09713%0.13CC..Hα-helixtrans-68.2-36.1176.5-150.967.1000111.6L165 S166 Q172 N173 D451 V454 L455L165-I169 HydrophobicContact CB-CG2 3.71Å; L165-I169 HydrophobicContact CD1-CG2 4.5Å; L165-I169 HydrophobicContact CD2-CG2 4.35Å; L165-I169 HydrophobicContact CG-CG2 4.41Å; S166-I169 WeakPolarHBondContact O-CG2 3.49Å; S166-I169 PolarHBondContact O-N 2.83Å; S166-I169 VanDerWaalsContact O-N 3.15Å; S166-I169 PolarHBondContact OG-N 2.85Å; I169-Q172 PolarHBondContact O-N 3.19Å; I169-N173 WeakPolarHBondContact O-CB 3.09Å; I169-N173 PolarHBondContact O-N 3.44Å; I169-D451 WeakPolarHBondContact CG2-OD1 3.3Å; I169-V454 HydrophobicContact CD1-CG1 4.32Å; I169-V454 HydrophobicContact CG1-CG1 3.44Å; I169-V454 VanDerWaalsContact CG1-CG1 3.44Å; I169-V454 HydrophobicContact CG2-CG1 4.31Å; I169-L455 HydrophobicContact CD1-CD1 3.56Å; I169-L455 HydrophobicContact CD1-CG 3.78Å; I169-L455 HydrophobicContact CG1-CD1 4.38Å; I169-L455 HydrophobicContact CG1-CG 4.14Å
170I98.8Very high98.4Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-63.1-46.1176-66.8169.7000109.8T160 L165 S166 V167 E168 N173 I174 F185 W187 Y217 I225T160-I170 HydrophobicContact CG2-CD1 4.2Å; L165-I170 HydrophobicContact CB-CD1 4.23Å; L165-I170 HydrophobicContact CB-CG1 4.06Å; S166-I170 WeakPolarHBondContact O-CG1 3.48Å; S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.12Å; V167-I170 PolarHBondContact O-N 3.05Å; E168-I170 VanDerWaalsContact C-N 3.34Å; I170-N173 PolarHBondContact O-N 3.18Å; I170-I174 HydrophobicContact CG2-CD1 3.86Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 2.58Å; I170-F185 HydrophobicContact CG2-CD1 4.46Å; I170-F185 HydrophobicContact CG2-CE1 3.62Å; I170-F185 HydrophobicContact CG2-CZ 3.74Å; I170-W187 HydrophobicContact CD1-CZ2 4.14Å; I170-Y217 HydrophobicContact CD1-CE1 3.89Å; I170-I225 HydrophobicContact CB-CD1 4.39Å; I170-I225 HydrophobicContact CD1-CD1 3.94Å; I170-I225 HydrophobicContact CG2-CD1 4.07Å; I170-I225 HydrophobicContact CG2-CG1 4.18Å; I170-I225 HydrophobicContact CG2-CG2 3.89Å
171K98.8Very high98.4Very high29 Ų2927.6 Ų27.613%0.12614%0.135CC..Hα-helixtrans-61.9-45.9175.8-72.9164.261.3-166.70111.8V167 E168 N173 I174 E175 E224 Y228V167-K171 HydrophobicContact CG1-CD 3.78Å; V167-K171 HydrophobicContact CG1-CG 4.48Å; V167-K171 VanDerWaalsContact O-CG 3.32Å; V167-K171 WeakPolarHBondContact O-CG 3.15Å; V167-K171 PolarHBondContact O-N 3.42Å; E168-K171 PolarHBondContact O-N 3.3Å; E168-K171 IonicContact OE2-NZ 3.69Å; E168-K171 PolarHBondContact OE2-NZ 3.23Å; E168-K171 VanDerWaalsContact OE2-NZ 3.14Å; K171-N173 VanDerWaalsContact C-N 3.28Å; K171-N173 PolarHBondContact O-N 3.03Å; K171-I174 WeakPolarHBondContact O-CB 3.5Å; K171-I174 PolarHBondContact O-N 3.31Å; K171-I174 VanDerWaalsContact O-N 3.13Å; K171-E175 PolarHBondContact O-N 2.98Å; K171-E224 WeakPolarHBondContact CE-OE1 3.44Å; K171-E224 IonicContact NZ-OE1 3.49Å; K171-E224 PolarHBondContact NZ-OE1 2.94Å; K171-Y228 HydrophobicContact CB-CD1 3.76Å; K171-Y228 HydrophobicContact CB-CE1 3.73Å; K171-Y228 HydrophobicContact CB-CG 4.27Å; K171-Y228 HydrophobicContact CD-CG 4.39Å; K171-Y228 HydrophobicContact CG-CD1 3.7Å; K171-Y228 HydrophobicContact CG-CD2 4.39Å; K171-Y228 HydrophobicContact CG-CE1 4.19Å; K171-Y228 HydrophobicContact CG-CG 3.82Å; K171-Y228 VanDerWaalsContact O-CE1 3.23Å; K171-Y228 WeakPolarHBondContact O-CE1 3.42Å
172Q98.2Very high98.4Very high86 Ų8627.6 Ų27.640%0.40214%0.135SC..Hα-helixtrans-57.4-42.4174.7-73.7176.118.600111.7E168 I169 E175 I176 L455E168-Q172 VanDerWaalsContact O-CG 3.31Å; E168-Q172 WeakPolarHBondContact O-CG 3.42Å; E168-Q172 PolarHBondContact O-N 3.31Å; I169-Q172 PolarHBondContact O-N 3.19Å; Q172-E175 PolarHBondContact O-N 3.13Å; Q172-I176 WeakPolarHBondContact O-CG1 3.45Å; Q172-I176 PolarHBondContact O-N 3.37Å; Q172-I176 VanDerWaalsContact O-N 3.14Å; Q172-L455 HydrophobicContact CB-CD1 4.24Å
173N98.6Very high98.5Very high1 Ų127 Ų271%0.00513%0.133CC..Hα-helixtrans-63.3-43.5175.5-178.557000112.5L158 I169 I170 K171 E175 I176 M177 L455 L458 W459L158-N173 HydrophobicContact CD1-CB 4.25Å; L158-N173 WeakPolarHBondContact CD1-ND2 3.33Å; I169-N173 WeakPolarHBondContact O-CB 3.09Å; I169-N173 PolarHBondContact O-N 3.44Å; I170-N173 PolarHBondContact O-N 3.18Å; K171-N173 VanDerWaalsContact C-N 3.28Å; K171-N173 PolarHBondContact O-N 3.03Å; N173-E175 VanDerWaalsContact C-N 3.29Å; N173-E175 PolarHBondContact O-N 3.11Å; N173-I176 PolarHBondContact O-N 3.46Å; N173-M177 PolarHBondContact ND2-SD 3.09Å; N173-M177 VanDerWaalsContact ND2-SD 3.43Å; N173-M177 WeakPolarHBondContact O-CB 3.12Å; N173-M177 VanDerWaalsContact O-CG 3.26Å; N173-M177 WeakPolarHBondContact O-CG 3.41Å; N173-M177 PolarHBondContact O-N 3.46Å; N173-L455 HydrophobicContact CB-CD2 3.95Å; N173-L458 WeakPolarHBondContact OD1-CD2 3.45Å; N173-W459 PolarHBondContact OD1-NE1 3.29Å
174I98.8Very high98.5Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-60.2-38.4177.1-72.8162.6000111.7I170 K171 M177 S178 F185 I225 Y228 A229 W232 V234I170-I174 HydrophobicContact CG2-CD1 3.86Å; I170-I174 WeakPolarHBondContact O-CG1 3.31Å; I170-I174 PolarHBondContact O-N 2.58Å; K171-I174 WeakPolarHBondContact O-CB 3.5Å; K171-I174 PolarHBondContact O-N 3.31Å; K171-I174 VanDerWaalsContact O-N 3.13Å; I174-M177 HydrophobicContact CG1-SD 4.38Å; I174-M177 WeakPolarHBondContact O-CB 3.41Å; I174-M177 PolarHBondContact O-N 3.33Å; I174-S178 PolarHBondContact O-N 3.14Å; I174-S178 VanDerWaalsContact O-N 3.08Å; I174-F185 HydrophobicContact CD1-CD1 4.09Å; I174-F185 HydrophobicContact CG1-CD1 4.44Å; I174-F185 HydrophobicContact CG1-CG 4.41Å; I174-I225 HydrophobicContact CD1-CG2 3.97Å; I174-Y228 HydrophobicContact CB-CD1 4.29Å; I174-Y228 HydrophobicContact CB-CE1 4.4Å; I174-Y228 HydrophobicContact CG2-CD1 3.96Å; I174-Y228 HydrophobicContact CG2-CE1 4.22Å; I174-A229 HydrophobicContact CD1-CB 4.12Å; I174-A229 HydrophobicContact CG2-CB 4.15Å; I174-W232 HydrophobicContact CG2-CB 4.25Å; I174-W232 HydrophobicContact CG2-CG 4.36Å; I174-V234 HydrophobicContact CG2-CB 4.4Å; I174-V234 HydrophobicContact CG2-CG2 4.34Å
175E97.9Very high98.5Very high49 Ų4922 Ų2223%0.22911%0.11CC..Hα-helixtrans-61.8-48.6173.7-171.7-173.5119.200111Y47 K171 Q172 N173 M177 S178 Q179 Y228 W232Y47-E175 HydrophobicContact CE2-CG 4.09Å; Y47-E175 WeakPolarHBondContact CE2-OE1 3.42Å; Y47-E175 VanDerWaalsContact CZ-OE1 3.27Å; Y47-E175 PolarHBondContact OH-OE1 3.42Å; K171-E175 PolarHBondContact O-N 2.98Å; Q172-E175 PolarHBondContact O-N 3.13Å; N173-E175 VanDerWaalsContact C-N 3.29Å; N173-E175 PolarHBondContact O-N 3.11Å; E175-M177 VanDerWaalsContact C-N 3.29Å; E175-M177 PolarHBondContact O-N 3.49Å; E175-S178 VanDerWaalsContact O-CB 3.27Å; E175-S178 WeakPolarHBondContact O-CB 3.34Å; E175-S178 PolarHBondContact O-N 3.09Å; E175-S178 VanDerWaalsContact O-N 3.07Å; E175-Q179 PolarHBondContact O-N 2.82Å; E175-Q179 VanDerWaalsContact O-N 3.13Å; E175-Q179 PolarHBondContact OE1-NE2 2.8Å; E175-Y228 PolarHBondContact OE2-OH 2.94Å; E175-W232 HydrophobicContact CG-CH2 4.46Å; E175-W232 HydrophobicContact CG-CZ2 3.86Å
176I98.2Very high98.5Very high36 Ų3621.9 Ų21.919%0.18511%0.109CC..Hα-helixtrans-66-33.3178.6-57.8163.7000111.4Q172 N173 S178 Q179 N180 L455 W459Q172-I176 WeakPolarHBondContact O-CG1 3.45Å; Q172-I176 PolarHBondContact O-N 3.37Å; Q172-I176 VanDerWaalsContact O-N 3.14Å; N173-I176 PolarHBondContact O-N 3.46Å; I176-S178 VanDerWaalsContact C-N 3.31Å; I176-S178 PolarHBondContact O-N 2.99Å; I176-Q179 WeakPolarHBondContact O-CB 3.2Å; I176-Q179 PolarHBondContact O-N 2.99Å; I176-N180 PolarHBondContact O-N 2.97Å; I176-N180 PolarHBondContact O-ND2 2.8Å; I176-L455 HydrophobicContact CD1-CD1 4.44Å; I176-L455 HydrophobicContact CD1-CD2 4.15Å; I176-W459 HydrophobicContact CB-CD2 4.44Å; I176-W459 HydrophobicContact CB-CZ2 4.17Å; I176-W459 HydrophobicContact CG2-CD2 3.4Å; I176-W459 VanDerWaalsContact CG2-CD2 3.4Å; I176-W459 HydrophobicContact CG2-CE3 3.89Å; I176-W459 HydrophobicContact CG2-CG 3.74Å; I176-W459 HydrophobicContact CG2-CH2 4.19Å; I176-W459 HydrophobicContact CG2-CZ2 3.74Å; I176-W459 HydrophobicContact CG2-CZ3 4.26Å
177M98.8Very high98.5Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-57.1-45.2170.6-76.6171.565.700111.2I156 N173 I174 E175 N180 K181 F182 V184 F185 V234 W459I156-M177 HydrophobicContact CB-CE 4.19Å; I156-M177 HydrophobicContact CB-SD 4.12Å; I156-M177 HydrophobicContact CD1-CG 3.6Å; I156-M177 HydrophobicContact CD1-SD 4.32Å; I156-M177 HydrophobicContact CG1-CE 4.3Å; I156-M177 HydrophobicContact CG1-CG 4.12Å; I156-M177 HydrophobicContact CG1-SD 4.35Å; N173-M177 PolarHBondContact ND2-SD 3.09Å; N173-M177 VanDerWaalsContact ND2-SD 3.43Å; N173-M177 WeakPolarHBondContact O-CB 3.12Å; N173-M177 VanDerWaalsContact O-CG 3.26Å; N173-M177 WeakPolarHBondContact O-CG 3.41Å; N173-M177 PolarHBondContact O-N 3.46Å; I174-M177 HydrophobicContact CG1-SD 4.38Å; I174-M177 WeakPolarHBondContact O-CB 3.41Å; I174-M177 PolarHBondContact O-N 3.33Å; E175-M177 VanDerWaalsContact C-N 3.29Å; E175-M177 PolarHBondContact O-N 3.49Å; M177-N180 CarbonylContact O-C 3.58Å; M177-N180 PolarHBondContact O-N 2.71Å; M177-K181 PolarHBondContact O-N 3.44Å; M177-F182 HydrophobicContact CB-CB 3.88Å; M177-F182 HydrophobicContact CE-CB 4.07Å; M177-F182 HydrophobicContact CG-CB 4.19Å; M177-F182 PolarHBondContact O-N 3.34Å; M177-V184 VanDerWaalsContact CE-C 3.47Å; M177-V184 WeakPolarHBondContact CE-O 3.21Å; M177-F185 HydrophobicContact CE-CB 3.98Å; M177-F185 HydrophobicContact SD-CB 4.38Å; M177-F185 HydrophobicContact SD-CD2 4.47Å; M177-V234 HydrophobicContact CE-CG1 3.72Å; M177-W459 HydrophobicContact CG-CH2 4.45Å; M177-W459 HydrophobicContact CG-CZ2 3.97Å
178S97.4Very high98.5Very high1 Ų119.2 Ų19.21%0.0079%0.091CC..Hα-helixtrans-60.7-45.5176.6-173.40000112.1I174 E175 I176 N180 K181I174-S178 PolarHBondContact O-N 3.14Å; I174-S178 VanDerWaalsContact O-N 3.08Å; E175-S178 VanDerWaalsContact O-CB 3.27Å; E175-S178 WeakPolarHBondContact O-CB 3.34Å; E175-S178 PolarHBondContact O-N 3.09Å; E175-S178 VanDerWaalsContact O-N 3.07Å; I176-S178 VanDerWaalsContact C-N 3.31Å; I176-S178 PolarHBondContact O-N 2.99Å; S178-N180 PolarHBondContact O-N 3.43Å; S178-K181 WeakPolarHBondContact O-CA 3.15Å; S178-K181 PolarHBondContact O-N 3.03Å
179Q97.4Very high98.5Very high52 Ų5214.1 Ų14.124%0.2437%0.068CC..Hα-helixtrans-57.9-34.6176.2-63.2166.616.700112Y47 E125 E175 I176 K181Y47-Q179 PolarHBondContact OH-NE2 3.29Å; E125-Q179 WeakPolarHBondContact CG-O 3.08Å; E175-Q179 PolarHBondContact O-N 2.82Å; E175-Q179 VanDerWaalsContact O-N 3.13Å; E175-Q179 PolarHBondContact OE1-NE2 2.8Å; I176-Q179 WeakPolarHBondContact O-CB 3.2Å; I176-Q179 PolarHBondContact O-N 2.99Å; Q179-K181 VanDerWaalsContact C-N 3.34Å
180N98.5Very high98.5Very high20 Ų2013.2 Ų13.211%0.1076%0.063CC..THydrogen-bonded Turntrans-93.59.8177.6-71.8-86.4000113.7I176 M177 S178 F182 W459 A463I176-N180 PolarHBondContact O-N 2.97Å; I176-N180 PolarHBondContact O-ND2 2.8Å; M177-N180 CarbonylContact O-C 3.58Å; M177-N180 PolarHBondContact O-N 2.71Å; S178-N180 PolarHBondContact O-N 3.43Å; N180-F182 HydrophobicContact CB-CD2 3.86Å; N180-F182 HydrophobicContact CB-CE2 4.18Å; N180-F182 PolarHBondContact O-N 3.05Å; N180-W459 HydrophobicContact CB-CH2 3.84Å; N180-W459 HydrophobicContact CB-CZ3 3.66Å; N180-W459 WeakPolarHBondContact ND2-CZ3 3.23Å; N180-A463 WeakPolarHBondContact OD1-CB 3.43Å
181K98.7Very high98.4Very high1 Ų113.3 Ų13.30%0.0046%0.063CC..THydrogen-bonded Turntrans56.626.1179.4-51.1-174.3174.175.30114.6P11 R122 T126 R154 M177 S178 Q179 W470P11-K181 HydrophobicContact CG-CB 4.46Å; P11-K181 HydrophobicContact CG-CD 4.44Å; R122-K181 HydrophobicContact CB-CD 4.33Å; T126-K181 VanDerWaalsContact OG1-CE 3.23Å; T126-K181 WeakPolarHBondContact OG1-CE 3.38Å; T126-K181 PolarHBondContact OG1-NZ 3.31Å; R154-K181 VanDerWaalsContact CZ-O 3.27Å; R154-K181 PolarHBondContact NE-O 3.1Å; R154-K181 PolarHBondContact NH2-O 3.03Å; M177-K181 PolarHBondContact O-N 3.44Å; S178-K181 WeakPolarHBondContact O-CA 3.15Å; S178-K181 PolarHBondContact O-N 3.03Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; K181-W470 HydrophobicContact CB-CD2 4.01Å; K181-W470 HydrophobicContact CB-CE3 3.44Å; K181-W470 VanDerWaalsContact CB-CE3 3.44Å; K181-W470 HydrophobicContact CB-CZ3 3.75Å; K181-W470 HydrophobicContact CD-CD2 3.57Å; K181-W470 VanDerWaalsContact CD-CE2 3.47Å; K181-W470 HydrophobicContact CD-CE3 3.74Å; K181-W470 HydrophobicContact CD-CG 4.27Å; K181-W470 HydrophobicContact CD-CH2 3.87Å; K181-W470 HydrophobicContact CD-CZ2 3.65Å; K181-W470 HydrophobicContact CD-CZ3 3.88Å; K181-W470 HydrophobicContact CG-CD2 4.45Å; K181-W470 HydrophobicContact CG-CE3 4.23Å; K181-W470 HydrophobicContact CG-CZ3 4.36Å
182F98.8Very high98.2Very high0 Ų012.5 Ų12.50%06%0.061CC..  trans-68.8150.4163.6-78.4-93.1000109.8R154 G155 I156 M177 N180 V442 W459 A462 A465 G466 L469R154-F182 VanDerWaalsContact C-CD1 3.5Å; R154-F182 HydrophobicContact CB-CD1 4.15Å; R154-F182 WeakPolarHBondContact O-CD1 3.23Å; G155-F182 VanDerWaalsContact O-CE1 3.3Å; G155-F182 WeakPolarHBondContact O-CE1 3.14Å; I156-F182 HydrophobicContact CD1-CD1 4.27Å; I156-F182 HydrophobicContact CD1-CD2 4.19Å; I156-F182 HydrophobicContact CD1-CE1 4.38Å; I156-F182 HydrophobicContact CD1-CE2 4.27Å; I156-F182 HydrophobicContact CD1-CG 4.19Å; I156-F182 HydrophobicContact CD1-CZ 4.37Å; I156-F182 HydrophobicContact CG1-CD1 3.65Å; I156-F182 HydrophobicContact CG1-CD2 4.45Å; I156-F182 HydrophobicContact CG1-CE1 3.82Å; I156-F182 HydrophobicContact CG1-CG 4Å; I156-F182 HydrophobicContact CG1-CZ 4.27Å; M177-F182 HydrophobicContact CB-CB 3.88Å; M177-F182 HydrophobicContact CE-CB 4.07Å; M177-F182 HydrophobicContact CG-CB 4.19Å; M177-F182 PolarHBondContact O-N 3.34Å; N180-F182 HydrophobicContact CB-CD2 3.86Å; N180-F182 HydrophobicContact CB-CE2 4.18Å; N180-F182 PolarHBondContact O-N 3.05Å; F182-V442 HydrophobicContact CE1-CG2 4.18Å; F182-V442 HydrophobicContact CZ-CG2 3.99Å; F182-W459 AromaticContact CD2-CH2 3.92Å; F182-W459 HydrophobicContact CD2-CH2 3.92Å; F182-W459 AromaticContact CE2-CH2 3.97Å; F182-W459 HydrophobicContact CE2-CH2 3.97Å; F182-W459 HydrophobicContact CE2-CZ3 4.23Å; F182-A462 WeakPolarHBondContact CE2-O 3.33Å; F182-A462 WeakPolarHBondContact CZ-O 3.33Å; F182-A465 HydrophobicContact CZ-CB 4.39Å; F182-G466 VanDerWaalsContact CE2-CA 3.44Å; F182-G466 VanDerWaalsContact CZ-CA 3.48Å; F182-L469 HydrophobicContact CE1-CD1 4.41Å
183N98.8Very high98Very high2 Ų212 Ų121%0.0116%0.058CC..  trans-136.35.9-174.671.7-10.3000114.2M96 E98 S152 R154 R235M96-N183 HydrophobicContact CE-CB 3.78Å; E98-N183 PolarHBondContact OE2-ND2 3.4Å; S152-N183 PolarHBondContact O-ND2 2.96Å; S152-N183 PolarHBondContact O-OD1 3.23Å; R154-N183 PolarHBondContact N-OD1 3.34Å; R154-N183 PolarHBondContact NH1-ND2 3.35Å; R154-N183 PolarHBondContact NH2-ND2 3.49Å; R154-N183 PolarHBondContact O-N 2.6Å; R154-N183 PolarHBondContact O-OD1 2.96Å; N183-R235 WeakPolarHBondContact O-CB 3.4Å; N183-R235 PolarHBondContact O-N 3.38Å
184V98.9Very high97.9Very high0 Ų012 Ų120%06%0.058CC..EExtended strand (participates in β ladder)trans-133.7120.3175.5177.10000109.7R154 G155 I156 M177 R235 V237R154-V184 PolarHBondContact O-N 3.31Å; R154-V184 VanDerWaalsContact O-N 3.09Å; G155-V184 CarbonylContact C-O 3.54Å; G155-V184 WeakPolarHBondContact CA-O 3.44Å; I156-V184 PolarHBondContact N-O 3.01Å; M177-V184 VanDerWaalsContact CE-C 3.47Å; M177-V184 WeakPolarHBondContact CE-O 3.21Å; V184-R235 CarbonylContact C-O 3.5Å; V184-R235 WeakPolarHBondContact CA-O 3.44Å; V184-R235 HydrophobicContact CG2-CB 4.33Å; V184-V237 HydrophobicContact CG1-CB 4.27Å; V184-V237 HydrophobicContact CG1-CG2 3.73Å
185F98.9Very high97.9Very high0 Ų012 Ų120%06%0.058CC..EExtended strand (participates in β ladder)trans-94.8105.2163.8176.3-135.8000107.4L158 I170 I174 M177 W187 I225 V234 R235 V236 V237L158-F185 HydrophobicContact CB-CE2 3.85Å; L158-F185 HydrophobicContact CB-CZ 4.43Å; L158-F185 HydrophobicContact CD1-CE2 3.88Å; L158-F185 HydrophobicContact CD1-CZ 4.44Å; L158-F185 HydrophobicContact CG-CE2 3.88Å; I170-F185 HydrophobicContact CG2-CD1 4.46Å; I170-F185 HydrophobicContact CG2-CE1 3.62Å; I170-F185 HydrophobicContact CG2-CZ 3.74Å; I174-F185 HydrophobicContact CD1-CD1 4.09Å; I174-F185 HydrophobicContact CG1-CD1 4.44Å; I174-F185 HydrophobicContact CG1-CG 4.41Å; M177-F185 HydrophobicContact CE-CB 3.98Å; M177-F185 HydrophobicContact SD-CB 4.38Å; M177-F185 HydrophobicContact SD-CD2 4.47Å; F185-W187 HydrophobicContact CD1-CB 4.31Å; F185-W187 HydrophobicContact CE1-CB 3.79Å; F185-W187 AromaticContact CE1-CD2 3.82Å; F185-W187 HydrophobicContact CE1-CD2 3.82Å; F185-W187 AromaticContact CE1-CE3 3.92Å; F185-W187 HydrophobicContact CE1-CE3 3.92Å; F185-W187 AromaticContact CE1-CG 3.79Å; F185-W187 HydrophobicContact CE1-CG 3.79Å; F185-W187 HydrophobicContact CZ-CB 3.91Å; F185-W187 HydrophobicContact CZ-CD2 4.17Å; F185-W187 AromaticContact CZ-CG 3.8Å; F185-W187 HydrophobicContact CZ-CG 3.8Å; F185-W187 PolarHBondContact O-N 3.06Å; F185-I225 HydrophobicContact CD1-CG2 4.37Å; F185-I225 HydrophobicContact CE1-CG2 4.12Å; F185-V234 HydrophobicContact CB-CG1 3.85Å; F185-R235 PolarHBondContact N-O 3.37Å; F185-V236 HydrophobicContact CD1-CG1 3.99Å; F185-V236 HydrophobicContact CD1-CG2 4.22Å; F185-V236 WeakPolarHBondContact O-CA 3.35Å; F185-V237 PolarHBondContact O-N 3.45Å
186H98.9Very high97.9Very high0 Ų09.7 Ų9.70%05%0.048CC..EExtended strand (participates in β ladder)trans-85108.7173.3-179.4175.5000107.3I156 L157 L158 V237 E239 H305 E441I156-H186 PolarHBondContact O-N 3.25Å; L157-H186 VanDerWaalsContact CA-O 3.26Å; L157-H186 WeakPolarHBondContact CA-O 3.33Å; L157-H186 HydrophobicContact CB-CB 4.05Å; L157-H186 HydrophobicContact CG-CB 4.5Å; L158-H186 PolarHBondContact N-O 2.97Å; L158-H186 VanDerWaalsContact N-O 3.14Å; H186-V237 WeakPolarHBondContact CA-O 3.26Å; H186-E239 IonicContact CE1-OE2 2.78Å; H186-E239 PolarHBondContact CE1-OE2 3.44Å; H186-E239 WeakPolarHBondContact NE2-CB 3.39Å; H186-E239 IonicContact NE2-OE2 3.88Å; H186-E239 PolarHBondContact NE2-OE2 2.67Å; H186-H305 AromaticContact CE1-CD2 3.45Å; H186-H305 PolarHBondContact CE1-CD2 2.81Å; H186-H305 VanDerWaalsContact CE1-CD2 3.45Å; H186-H305 AromaticContact CE1-CG 3.8Å; H186-H305 AromaticContact CE1-NE2 3.89Å; H186-H305 AromaticContact NE2-CD2 3.72Å; H186-H305 AromaticContact NE2-CG 3.6Å; H186-E441 IonicContact CE1-OE2 3.57Å; H186-E441 IonicContact CG-OE2 2.81Å; H186-E441 IonicContact ND1-OE1 3.54Å; H186-E441 IonicContact ND1-OE2 2.9Å; H186-E441 PolarHBondContact ND1-OE2 2.89Å
187W98.9Very high97.9Very high0 Ų08 Ų80%04%0.039CC..EExtended strand (participates in β ladder)trans-99.497.5-176.2-167.3-3.6000110T160 I170 F185 I189 Y217 V222 I225 V236 V237 E239 F299T160-W187 VanDerWaalsContact CG2-NE1 3.28Å; T160-W187 PolarHBondContact OG1-NE1 3.01Å; I170-W187 HydrophobicContact CD1-CZ2 4.14Å; F185-W187 HydrophobicContact CD1-CB 4.31Å; F185-W187 HydrophobicContact CE1-CB 3.79Å; F185-W187 AromaticContact CE1-CD2 3.82Å; F185-W187 HydrophobicContact CE1-CD2 3.82Å; F185-W187 AromaticContact CE1-CE3 3.92Å; F185-W187 HydrophobicContact CE1-CE3 3.92Å; F185-W187 AromaticContact CE1-CG 3.79Å; F185-W187 HydrophobicContact CE1-CG 3.79Å; F185-W187 HydrophobicContact CZ-CB 3.91Å; F185-W187 HydrophobicContact CZ-CD2 4.17Å; F185-W187 AromaticContact CZ-CG 3.8Å; F185-W187 HydrophobicContact CZ-CG 3.8Å; F185-W187 PolarHBondContact O-N 3.06Å; W187-I189 HydrophobicContact CD2-CB 4.48Å; W187-I189 HydrophobicContact CD2-CD1 4.08Å; W187-I189 HydrophobicContact CD2-CG1 4.38Å; W187-I189 HydrophobicContact CE3-CD1 4.44Å; W187-I189 HydrophobicContact CG-CB 4.23Å; W187-I189 HydrophobicContact CH2-CD1 4.08Å; W187-I189 HydrophobicContact CZ2-CD1 3.71Å; W187-I189 HydrophobicContact CZ2-CG1 4.09Å; W187-I189 HydrophobicContact CZ3-CD1 4.44Å; W187-I189 PolarHBondContact O-N 3.26Å; W187-I189 VanDerWaalsContact O-N 3.1Å; W187-Y217 HydrophobicContact CH2-CD1 4.21Å; W187-Y217 HydrophobicContact CH2-CD2 4.43Å; W187-Y217 HydrophobicContact CH2-CG 4.13Å; W187-Y217 AromaticContact CZ2-CD1 3.88Å; W187-Y217 HydrophobicContact CZ2-CD1 3.88Å; W187-Y217 AromaticContact CZ2-CD2 3.65Å; W187-Y217 HydrophobicContact CZ2-CD2 3.65Å; W187-Y217 AromaticContact CZ2-CE1 3.95Å; W187-Y217 HydrophobicContact CZ2-CE1 3.95Å; W187-Y217 AromaticContact CZ2-CE2 3.72Å; W187-Y217 HydrophobicContact CZ2-CE2 3.72Å; W187-Y217 AromaticContact CZ2-CG 3.74Å; W187-Y217 HydrophobicContact CZ2-CG 3.74Å; W187-Y217 AromaticContact CZ2-CZ 3.87Å; W187-V222 HydrophobicContact CH2-CG2 4.18Å; W187-V222 HydrophobicContact CZ3-CG1 4.48Å; W187-V222 HydrophobicContact CZ3-CG2 4.43Å; W187-I225 HydrophobicContact CE3-CG2 4.27Å; W187-I225 HydrophobicContact CH2-CD1 3.38Å; W187-I225 HydrophobicContact CZ2-CD1 4.08Å; W187-I225 HydrophobicContact CZ3-CB 4.18Å; W187-I225 HydrophobicContact CZ3-CD1 3.83Å; W187-I225 HydrophobicContact CZ3-CG2 3.89Å; W187-V236 HydrophobicContact CB-CG1 4.49Å; W187-V236 HydrophobicContact CE3-CG1 4.05Å; W187-V237 PolarHBondContact N-O 2.82Å; W187-E239 PolarHBondContact O-N 3.12Å; W187-F299 AromaticContact CE3-CE1 3.98Å; W187-F299 HydrophobicContact CE3-CE1 3.98Å; W187-F299 HydrophobicContact CE3-CZ 4.24Å; W187-F299 HydrophobicContact CZ3-CE1 4.34Å; W187-F299 HydrophobicContact CZ3-CZ 4.38Å
188H98.9Very high97.9Very high1 Ų110.5 Ų10.51%0.0055%0.05CC..EExtended strand (participates in β ladder)trans-77.789169.8-173.597.9000108.8L157 L158 D159 T160 V190 D191 E239 W445L157-H188 HydrophobicContact CD1-CB 4.42Å; L157-H188 HydrophobicContact CD2-CB 4.05Å; L157-H188 HydrophobicContact CG-CB 4.16Å; L158-H188 PolarHBondContact O-N 2.88Å; D159-H188 WeakPolarHBondContact CA-O 3.46Å; D159-H188 HydrophobicContact CB-CB 4.43Å; D159-H188 IonicContact OD1-CD2 3.32Å; T160-H188 PolarHBondContact N-O 3.03Å; T160-H188 PolarHBondContact OG1-O 2.79Å; H188-V190 PolarHBondContact NE2-O 3.05Å; H188-D191 IonicContact CE1-OD2 3.35Å; H188-D191 PolarHBondContact CE1-OD2 2.74Å; H188-D191 IonicContact NE2-OD2 3.79Å; H188-D191 PolarHBondContact NE2-OD2 2.75Å; H188-E239 IonicContact CE1-OE2 2.9Å; H188-E239 IonicContact CG-OE2 3.41Å; H188-E239 IonicContact ND1-OE1 3.61Å; H188-E239 IonicContact ND1-OE2 2.88Å; H188-E239 PolarHBondContact ND1-OE2 3.42Å; H188-W445 HydrophobicContact CB-CZ3 4.44Å; H188-W445 AromaticContact CE1-CZ3 3.83Å; H188-W445 AromaticContact CG-CZ3 3.82Å; H188-W445 AromaticContact ND1-CZ3 3.64Å
189I98.7Very high97.9Very high0 Ų010.4 Ų10.40%05%0.05CC..EExtended strand (participates in β ladder)trans-89.3-27.2-160.6-165.9168.7000113.7T160 W187 P196 F197 Y217 E239 F240T160-I189 WeakPolarHBondContact OG1-CA 3.07Å; T160-I189 PolarHBondContact OG1-O 3.45Å; W187-I189 HydrophobicContact CD2-CB 4.48Å; W187-I189 HydrophobicContact CD2-CD1 4.08Å; W187-I189 HydrophobicContact CD2-CG1 4.38Å; W187-I189 HydrophobicContact CE3-CD1 4.44Å; W187-I189 HydrophobicContact CG-CB 4.23Å; W187-I189 HydrophobicContact CH2-CD1 4.08Å; W187-I189 HydrophobicContact CZ2-CD1 3.71Å; W187-I189 HydrophobicContact CZ2-CG1 4.09Å; W187-I189 HydrophobicContact CZ3-CD1 4.44Å; W187-I189 PolarHBondContact O-N 3.26Å; W187-I189 VanDerWaalsContact O-N 3.1Å; I189-P196 WeakPolarHBondContact O-CD 3.33Å; I189-P196 WeakPolarHBondContact O-CG 3.35Å; I189-F197 HydrophobicContact CD1-CB 3.83Å; I189-F197 HydrophobicContact CD1-CD2 3.61Å; I189-F197 HydrophobicContact CD1-CG 4.12Å; I189-F197 HydrophobicContact CG1-CB 4.11Å; I189-Y217 HydrophobicContact CD1-CD2 4.22Å; I189-Y217 HydrophobicContact CG1-CD2 4.09Å; I189-Y217 HydrophobicContact CG1-CE2 4.41Å; I189-E239 VanDerWaalsContact CG2-O 3.31Å; I189-E239 WeakPolarHBondContact CG2-O 3.49Å; I189-F240 HydrophobicContact CG2-CD1 4.28Å; I189-F240 HydrophobicContact CG2-CD2 4.05Å; I189-F240 HydrophobicContact CG2-CE1 3.84Å; I189-F240 HydrophobicContact CG2-CE2 3.57Å; I189-F240 HydrophobicContact CG2-CG 4.38Å; I189-F240 HydrophobicContact CG2-CZ 3.45Å; I189-F240 VanDerWaalsContact CG2-CZ 3.45Å
190V98.2Very high97.9Very high0 Ų014.4 Ų14.40%07%0.069CC..EExtended strand (participates in β ladder)trans-140.3147.3-175.9-60.10000109.9A161 H188 F195 F197 F240 W249A161-V190 VanDerWaalsContact CB-C 3.46Å; H188-V190 PolarHBondContact NE2-O 3.05Å; V190-F195 HydrophobicContact CB-CD2 3.86Å; V190-F195 HydrophobicContact CB-CE2 4.12Å; V190-F195 HydrophobicContact CB-CG 4.38Å; V190-F195 HydrophobicContact CG1-CB 4.42Å; V190-F195 HydrophobicContact CG1-CD1 4.09Å; V190-F195 HydrophobicContact CG1-CD2 3.61Å; V190-F195 HydrophobicContact CG1-CE1 4.22Å; V190-F195 HydrophobicContact CG1-CE2 3.75Å; V190-F195 HydrophobicContact CG1-CG 3.79Å; V190-F195 HydrophobicContact CG1-CZ 4.05Å; V190-F195 HydrophobicContact CG2-CD2 4.34Å; V190-F195 HydrophobicContact CG2-CE2 4.15Å; V190-F197 HydrophobicContact CG1-CB 4.06Å; V190-F240 HydrophobicContact CG1-CD1 4.45Å; V190-F240 HydrophobicContact CG1-CE1 4.15Å; V190-F240 HydrophobicContact CG2-CB 4.46Å; V190-F240 HydrophobicContact CG2-CD1 3.57Å; V190-F240 HydrophobicContact CG2-CE1 4.1Å; V190-F240 HydrophobicContact CG2-CG 4.22Å; V190-W249 HydrophobicContact CG2-CZ2 3.58Å
191D97Very high97.7Very high1 Ų116 Ų161%0.0059%0.085CC..  trans-157.5-165.9178.1-158.2-88.7000109.8A161 R162 H188 Q193 S194 H245 S248A161-D191 HydrophobicContact CB-CB 3.5Å; A161-D191 VanDerWaalsContact CB-CB 3.5Å; R162-D191 IonicContact CZ-OD1 3.49Å; R162-D191 IonicContact CZ-OD2 2.84Å; R162-D191 IonicContact NE-OD1 2.75Å; R162-D191 PolarHBondContact NE-OD1 3.16Å; R162-D191 IonicContact NE-OD2 2.79Å; R162-D191 PolarHBondContact NE-OD2 2.79Å; R162-D191 IonicContact NH2-OD1 3.24Å; R162-D191 PolarHBondContact NH2-OD1 3.48Å; R162-D191 IonicContact NH2-OD2 3.36Å; R162-D191 PolarHBondContact NH2-OD2 3.35Å; H188-D191 IonicContact CE1-OD2 3.35Å; H188-D191 PolarHBondContact CE1-OD2 2.74Å; H188-D191 IonicContact NE2-OD2 3.79Å; H188-D191 PolarHBondContact NE2-OD2 2.75Å; D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 2.8Å; D191-Q193 PolarHBondContact OD1-OE1 2.73Å; D191-S194 PolarHBondContact N-O 3.44Å; D191-H245 CarbonylContact C-O 3.47Å; D191-H245 VanDerWaalsContact C-O 3.24Å; D191-H245 WeakPolarHBondContact CA-O 3.33Å; D191-H245 IonicContact OD1-CG 3.41Å; D191-H245 IonicContact OD1-ND1 3.83Å; D191-H245 PolarHBondContact OD1-ND1 3.42Å; D191-H245 VanDerWaalsContact OD2-CB 3.28Å; D191-H245 WeakPolarHBondContact OD2-CB 3.2Å; D191-H245 IonicContact OD2-CG 3.93Å; D191-H245 VanDerWaalsContact OD2-CG 3.27Å; D191-H245 IonicContact OD2-ND1 3.83Å; D191-H245 PolarHBondContact OD2-ND1 2.91Å; D191-H245 VanDerWaalsContact OD2-ND1 3.14Å; D191-S248 VanDerWaalsContact O-CB 3.28Å; D191-S248 WeakPolarHBondContact O-CB 3.43Å; D191-S248 PolarHBondContact O-OG 2.74Å
192D93.8Very high97.6Very high13 Ų1316.5 Ų16.57%0.079%0.087CC..SBendtrans-55.1-42.8178.2-78.6-43.2000112.8H245 M246 A247 S248 G275D192-H245 PolarHBondContact N-O 3.35Å; D192-H245 WeakPolarHBondContact OD1-CA 3.39Å; D192-H245 IonicContact OD2-ND1 2.8Å; D192-M246 PolarHBondContact OD1-N 2.98Å; D192-M246 VanDerWaalsContact OD1-N 3.1Å; D192-A247 HydrophobicContact CB-CB 3.79Å; D192-A247 WeakPolarHBondContact O-CB 3.31Å; D192-A247 WeakPolarHBondContact OD1-CB 3.39Å; D192-A247 PolarHBondContact OD1-N 2.81Å; D192-S248 WeakPolarHBondContact O-CB 3.35Å; D192-S248 PolarHBondContact O-N 2.7Å; D192-G275 PolarHBondContact OD1-N 2.89Å
193Q94.7Very high97.5Very high76 Ų7620 Ų2036%0.35511%0.11SC..SBendtrans-79.8-32.7-167.9-61.979.3-3.600113.4D191 Y211D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 2.8Å; D191-Q193 PolarHBondContact OD1-OE1 2.73Å; Q193-Y211 VanDerWaalsContact CB-OH 3.28Å; Q193-Y211 WeakPolarHBondContact CB-OH 3.35Å
194S96.6Very high97.4Very high0 Ų021.3 Ų21.30%012%0.119CC..  trans-156.6155.9174.375.70000114.7A161 D191 P196 G209 S248A161-S194 WeakPolarHBondContact CA-OG 3.28Å; A161-S194 WeakPolarHBondContact O-CB 3.18Å; A161-S194 PolarHBondContact O-OG 2.7Å; D191-S194 PolarHBondContact N-O 3.44Å; S194-P196 VanDerWaalsContact C-CD 3.48Å; S194-P196 WeakPolarHBondContact O-CD 3.28Å; S194-G209 CarbonylContact C-O 3.38Å; S194-G209 WeakPolarHBondContact CA-O 3.11Å; S194-S248 PolarHBondContact O-OG 2.79Å
195F97.8Very high97.3Very high0 Ų021.3 Ų21.30%012%0.119CC..  trans-117.878.1172.4-161.1-76.9000109.4V190 F197 L205 S206 G209 A210 F240 W249 I291V190-F195 HydrophobicContact CB-CD2 3.86Å; V190-F195 HydrophobicContact CB-CE2 4.12Å; V190-F195 HydrophobicContact CB-CG 4.38Å; V190-F195 HydrophobicContact CG1-CB 4.42Å; V190-F195 HydrophobicContact CG1-CD1 4.09Å; V190-F195 HydrophobicContact CG1-CD2 3.61Å; V190-F195 HydrophobicContact CG1-CE1 4.22Å; V190-F195 HydrophobicContact CG1-CE2 3.75Å; V190-F195 HydrophobicContact CG1-CG 3.79Å; V190-F195 HydrophobicContact CG1-CZ 4.05Å; V190-F195 HydrophobicContact CG2-CD2 4.34Å; V190-F195 HydrophobicContact CG2-CE2 4.15Å; F195-F197 VanDerWaalsContact C-N 3.35Å; F195-F197 HydrophobicContact CD1-CB 4.44Å; F195-F197 WeakPolarHBondContact CD1-O 3.44Å; F195-F197 HydrophobicContact CE1-CB 4.01Å; F195-F197 HydrophobicContact CE1-CD1 4.12Å; F195-F197 WeakPolarHBondContact CE1-O 3.39Å; F195-F197 HydrophobicContact CZ-CD1 4.43Å; F195-L205 HydrophobicContact CD1-CB 3.6Å; F195-L205 HydrophobicContact CE1-CB 3.44Å; F195-L205 VanDerWaalsContact CE1-CB 3.44Å; F195-L205 HydrophobicContact CE1-CD1 3.98Å; F195-L205 HydrophobicContact CE1-CG 4.26Å; F195-L205 HydrophobicContact CE2-CB 4.43Å; F195-L205 HydrophobicContact CE2-CD1 4.27Å; F195-L205 HydrophobicContact CE2-CD2 4.46Å; F195-L205 HydrophobicContact CG-CB 4.18Å; F195-L205 HydrophobicContact CZ-CB 3.91Å; F195-L205 HydrophobicContact CZ-CD1 3.66Å; F195-L205 HydrophobicContact CZ-CG 4.25Å; F195-S206 VanDerWaalsContact O-CA 3.31Å; F195-S206 WeakPolarHBondContact O-CA 3.31Å; F195-G209 PolarHBondContact N-O 2.87Å; F195-A210 PolarHBondContact O-N 2.86Å; F195-F240 HydrophobicContact CZ-CE1 4.2Å; F195-W249 AromaticContact CD2-CD1 3.74Å; F195-W249 AromaticContact CD2-CD2 3.91Å; F195-W249 HydrophobicContact CD2-CD2 3.91Å; F195-W249 AromaticContact CD2-CE2 3.94Å; F195-W249 AromaticContact CD2-CG 3.84Å; F195-W249 HydrophobicContact CD2-CG 3.84Å; F195-W249 AromaticContact CD2-NE1 3.82Å; F195-W249 AromaticContact CE2-CD2 3.51Å; F195-W249 HydrophobicContact CE2-CD2 3.51Å; F195-W249 AromaticContact CE2-CE2 3.51Å; F195-W249 AromaticContact CE2-CE3 3.84Å; F195-W249 HydrophobicContact CE2-CE3 3.84Å; F195-W249 AromaticContact CE2-CG 3.95Å; F195-W249 HydrophobicContact CE2-CG 3.95Å; F195-W249 HydrophobicContact CE2-CH2 4.18Å; F195-W249 AromaticContact CE2-CZ2 3.88Å; F195-W249 HydrophobicContact CE2-CZ2 3.88Å; F195-W249 HydrophobicContact CE2-CZ3 4.16Å; F195-W249 AromaticContact CE2-NE1 3.89Å; F195-I291 HydrophobicContact CZ-CD1 4.37Å
196P98.6Very high97.2Very high1 Ų121.5 Ų21.51%0.00612%0.121CC..  trans-77.8-16.4-177.231.5-38.5000113.5F164 I189 S194 E198 H215 V216 Y217F164-P196 HydrophobicContact CD2-CB 4Å; F164-P196 HydrophobicContact CE2-CB 4.36Å; I189-P196 WeakPolarHBondContact O-CD 3.33Å; I189-P196 WeakPolarHBondContact O-CG 3.35Å; S194-P196 VanDerWaalsContact C-CD 3.48Å; S194-P196 WeakPolarHBondContact O-CD 3.28Å; P196-E198 PolarHBondContact O-N 3.01Å; P196-H215 WeakPolarHBondContact CB-O 3.35Å; P196-V216 CarbonylContact O-C 3.56Å; P196-V216 WeakPolarHBondContact O-CA 3.13Å; P196-Y217 HydrophobicContact CB-CD2 3.76Å; P196-Y217 HydrophobicContact CB-CE2 3.86Å; P196-Y217 HydrophobicContact CG-CD2 3.9Å; P196-Y217 HydrophobicContact CG-CE2 3.78Å; P196-Y217 PolarHBondContact O-N 2.87Å
197F98.7Very high97.2Very high0 Ų025 Ų250%015%0.15CC..BIsolated β-bridgetrans-68.2118.6179.7177.5-101.7000111.9I189 V190 F195 S199 S206 V222 F240 I291 V295 F299I189-F197 HydrophobicContact CD1-CB 3.83Å; I189-F197 HydrophobicContact CD1-CD2 3.61Å; I189-F197 HydrophobicContact CD1-CG 4.12Å; I189-F197 HydrophobicContact CG1-CB 4.11Å; V190-F197 HydrophobicContact CG1-CB 4.06Å; F195-F197 VanDerWaalsContact C-N 3.35Å; F195-F197 HydrophobicContact CD1-CB 4.44Å; F195-F197 WeakPolarHBondContact CD1-O 3.44Å; F195-F197 HydrophobicContact CE1-CB 4.01Å; F195-F197 HydrophobicContact CE1-CD1 4.12Å; F195-F197 WeakPolarHBondContact CE1-O 3.39Å; F195-F197 HydrophobicContact CZ-CD1 4.43Å; F197-S199 PolarHBondContact O-N 3.48Å; F197-S206 WeakPolarHBondContact O-CB 3.31Å; F197-V222 HydrophobicContact CD2-CG2 4.15Å; F197-V222 HydrophobicContact CE2-CG2 4.08Å; F197-F240 HydrophobicContact CB-CE1 4.25Å; F197-F240 HydrophobicContact CB-CZ 4.25Å; F197-F240 AromaticContact CD1-CE1 3.84Å; F197-F240 HydrophobicContact CD1-CE1 3.84Å; F197-F240 AromaticContact CD1-CZ 3.77Å; F197-F240 HydrophobicContact CD1-CZ 3.77Å; F197-F240 HydrophobicContact CD2-CZ 4.06Å; F197-F240 HydrophobicContact CE1-CE1 4.4Å; F197-F240 HydrophobicContact CE1-CZ 4.09Å; F197-F240 HydrophobicContact CE2-CZ 4.33Å; F197-F240 HydrophobicContact CG-CE1 4.05Å; F197-F240 AromaticContact CG-CZ 3.75Å; F197-F240 HydrophobicContact CG-CZ 3.75Å; F197-F240 HydrophobicContact CZ-CZ 4.34Å; F197-I291 HydrophobicContact CD1-CD1 3.95Å; F197-I291 HydrophobicContact CE1-CD1 3.64Å; F197-V295 HydrophobicContact CE1-CG2 4.47Å; F197-V295 HydrophobicContact CZ-CG2 4.38Å; F197-F299 HydrophobicContact CE2-CE2 4.07Å
198E98.4Very high97Very high52 Ų5232.8 Ų32.824%0.24318%0.18CC..  trans-80.4106.6175.6-172.9174.6-133.400111.5P196 V216 Y217 H218 P219 R298P196-E198 PolarHBondContact O-N 3.01Å; E198-V216 HydrophobicContact CB-CG1 3.72Å; E198-V216 HydrophobicContact CG-CG1 4.49Å; E198-Y217 WeakPolarHBondContact CB-O 3.45Å; E198-Y217 PolarHBondContact N-O 2.85Å; E198-H218 IonicContact OE1-ND1 3.73Å; E198-H218 IonicContact OE2-CE1 2.73Å; E198-H218 IonicContact OE2-CG 3.73Å; E198-H218 IonicContact OE2-ND1 3.98Å; E198-H218 PolarHBondContact OE2-ND1 2.95Å; E198-P219 WeakPolarHBondContact OE2-CD 3.04Å; E198-R298 PolarHBondContact O-NH1 3.48Å
199S97.8Very high96.8Very high0 Ų032.9 Ų32.90%018%0.181CC..  trans-82127.1171.4174.20000111.5F197 A201 L202 P203 E294F197-S199 PolarHBondContact O-N 3.48Å; S199-A201 PolarHBondContact OG-N 2.7Å; S199-L202 CarbonylContact O-C 3.59Å; S199-L202 PolarHBondContact OG-N 2.89Å; S199-P203 WeakPolarHBondContact O-CA 3.48Å; S199-P203 VanDerWaalsContact O-N 3.1Å; S199-E294 WeakPolarHBondContact CA-OE1 3.44Å; S199-E294 PolarHBondContact OG-OE1 2.8Å; S199-E294 PolarHBondContact OG-OE2 3.11Å
200E96.4Very high96.8Very high136 Ų13633.7 Ų33.764%0.63619%0.188SC*.SBendtrans-69.8-37.8172.6-85.4166.8151.900111.4L202 P219 E294 R298E200-L202 VanDerWaalsContact C-N 3.34Å; E200-P219 HydrophobicContact CG-CG 4.1Å; E200-E294 PolarHBondContact N-OE1 3.29Å; E200-E294 VanDerWaalsContact N-OE1 3.11Å; E200-E294 PolarHBondContact N-OE2 2.85Å; E200-E294 VanDerWaalsContact N-OE2 3.15Å; E200-R298 IonicContact OE1-NH2 2.95Å; E200-R298 IonicContact OE2-CZ 2.98Å; E200-R298 IonicContact OE2-NE 3.07Å; E200-R298 IonicContact OE2-NH2 3.43Å; E200-R298 PolarHBondContact OE2-NH2 3.07Å
201A94Very high96.7Very high54 Ų5438.9 Ų38.945%0.44621%0.208SC..SBendtrans-72.8-28.9178.700000112.6S199 E294S199-A201 PolarHBondContact OG-N 2.7Å; A201-E294 VanDerWaalsContact CB-OE2 3.31Å; A201-E294 WeakPolarHBondContact CB-OE2 3.44Å; A201-E294 PolarHBondContact N-OE2 3.26Å
202L96.3Very high96.8Very high11 Ų1141.1 Ų41.16%0.05822%0.224CC..  trans-137.161.9-173.4-57.4173.9000111.3S199 E200 S204 L205 I287 K290 I291S199-L202 CarbonylContact O-C 3.59Å; S199-L202 PolarHBondContact OG-N 2.89Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.38Å; L202-L205 HydrophobicContact CB-CD1 3.67Å; L202-L205 HydrophobicContact CB-CG 4.08Å; L202-L205 HydrophobicContact CD1-CD1 3.89Å; L202-L205 HydrophobicContact CG-CD1 4.46Å; L202-L205 WeakPolarHBondContact O-CB 3.39Å; L202-L205 PolarHBondContact O-N 3.14Å; L202-I287 HydrophobicContact CD1-CG2 3.81Å; L202-K290 HydrophobicContact CD1-CB 4.3Å; L202-K290 HydrophobicContact CD2-CD 4.3Å; L202-I291 HydrophobicContact CD1-CB 4.35Å
203P96.8Very high96.9Very high72 Ų7245.9 Ų45.947%0.46826%0.259SS..THydrogen-bonded Turntrans-62.4-21.3-172.624.7-35.7000113.7S199 L205 S206 A207S199-P203 WeakPolarHBondContact O-CA 3.48Å; S199-P203 VanDerWaalsContact O-N 3.1Å; P203-L205 PolarHBondContact O-N 2.99Å; P203-S206 PolarHBondContact O-OG 2.98Å; P203-A207 VanDerWaalsContact O-CB 3.29Å; P203-A207 WeakPolarHBondContact O-CB 3.31Å; P203-A207 PolarHBondContact O-N 3.48Å; P203-A207 VanDerWaalsContact O-N 3.13Å
204S96.9Very high97Very high30 Ų3045.9 Ų45.921%0.2127%0.271CS..Hα-helixtrans-63.1-21.5174.767.60000113.4L202 Y208 G252 K253L202-S204 PolarHBondContact O-N 3.38Å; S204-Y208 VanDerWaalsContact O-CD2 3.3Å; S204-Y208 WeakPolarHBondContact O-CD2 3.48Å; S204-Y208 PolarHBondContact O-N 2.73Å; S204-G252 WeakPolarHBondContact CB-O 3.26Å; S204-G252 WeakPolarHBondContact O-CA 3.36Å; S204-G252 PolarHBondContact OG-O 3.14Å; S204-K253 VanDerWaalsContact OG-CE 3.25Å; S204-K253 WeakPolarHBondContact OG-CE 3.27Å; S204-K253 PolarHBondContact OG-NZ 3.43Å
205L97.2Very high97.1Very high0 Ų049.3 Ų49.30%029%0.287CS..Hα-helixtrans-62.2-56.7178.2-71.1171.2000111.6F195 L202 P203 G209 K253 I291F195-L205 HydrophobicContact CD1-CB 3.6Å; F195-L205 HydrophobicContact CE1-CB 3.44Å; F195-L205 VanDerWaalsContact CE1-CB 3.44Å; F195-L205 HydrophobicContact CE1-CD1 3.98Å; F195-L205 HydrophobicContact CE1-CG 4.26Å; F195-L205 HydrophobicContact CE2-CB 4.43Å; F195-L205 HydrophobicContact CE2-CD1 4.27Å; F195-L205 HydrophobicContact CE2-CD2 4.46Å; F195-L205 HydrophobicContact CG-CB 4.18Å; F195-L205 HydrophobicContact CZ-CB 3.91Å; F195-L205 HydrophobicContact CZ-CD1 3.66Å; F195-L205 HydrophobicContact CZ-CG 4.25Å; L202-L205 HydrophobicContact CB-CD1 3.67Å; L202-L205 HydrophobicContact CB-CG 4.08Å; L202-L205 HydrophobicContact CD1-CD1 3.89Å; L202-L205 HydrophobicContact CG-CD1 4.46Å; L202-L205 WeakPolarHBondContact O-CB 3.39Å; L202-L205 PolarHBondContact O-N 3.14Å; P203-L205 PolarHBondContact O-N 2.99Å; L205-G209 VanDerWaalsContact O-CA 3.24Å; L205-G209 WeakPolarHBondContact O-CA 3.28Å; L205-G209 PolarHBondContact O-N 3.43Å; L205-K253 HydrophobicContact CD2-CB 4.42Å; L205-K253 HydrophobicContact CD2-CG 3.58Å; L205-K253 HydrophobicContact CG-CG 4.22Å; L205-I291 HydrophobicContact CD1-CD1 4.33Å
206S97.7Very high97.2Very high5 Ų550 Ų504%0.03529%0.291CS..Hα-helixtrans-73.1-36.5176.354.30000112.8F195 F197 P203 Y208 G209 A210F195-S206 VanDerWaalsContact O-CA 3.31Å; F195-S206 WeakPolarHBondContact O-CA 3.31Å; F197-S206 WeakPolarHBondContact O-CB 3.31Å; P203-S206 PolarHBondContact O-OG 2.98Å; S206-Y208 PolarHBondContact O-N 3.39Å; S206-Y208 VanDerWaalsContact O-N 3.12Å; S206-G209 PolarHBondContact O-N 3Å; S206-A210 WeakPolarHBondContact O-CB 3.3Å; S206-A210 PolarHBondContact O-N 3.18Å
207A97.4Very high97.2Very high74 Ų7449.9 Ų49.961%0.61229%0.291SS*.Hα-helixtrans-59-29.1-17800000113.8P203P203-A207 VanDerWaalsContact O-CB 3.29Å; P203-A207 WeakPolarHBondContact O-CB 3.31Å; P203-A207 PolarHBondContact O-N 3.48Å; P203-A207 VanDerWaalsContact O-N 3.13Å
208Y95.6Very high97.2Very high162 Ų16252.3 Ų52.364%0.63530%0.302SS*.Hα-helixtrans-115.2-20.4177.8-62.9-72.1000114.1S204 S206 L251S204-Y208 VanDerWaalsContact O-CD2 3.3Å; S204-Y208 WeakPolarHBondContact O-CD2 3.48Å; S204-Y208 PolarHBondContact O-N 2.73Å; S206-Y208 PolarHBondContact O-N 3.39Å; S206-Y208 VanDerWaalsContact O-N 3.12Å; Y208-L251 WeakPolarHBondContact CB-O 3.5Å
209G95.2Very high97.2Very high3 Ų351 Ų513%0.03130%0.298CS..Hα-helixtrans-96.9-20.3-177.400000114.4S194 F195 L205 S206S194-G209 CarbonylContact C-O 3.38Å; S194-G209 WeakPolarHBondContact CA-O 3.11Å; F195-G209 PolarHBondContact N-O 2.87Å; L205-G209 VanDerWaalsContact O-CA 3.24Å; L205-G209 WeakPolarHBondContact O-CA 3.28Å; L205-G209 PolarHBondContact O-N 3.43Å; S206-G209 PolarHBondContact O-N 3Å
210A97.6Very high97.2Very high17 Ų1758.4 Ų58.414%0.1433%0.326CS..SBendtrans-74155.1174.500000111.5F195 S206 S212 V216F195-A210 PolarHBondContact O-N 2.86Å; S206-A210 WeakPolarHBondContact O-CB 3.3Å; S206-A210 PolarHBondContact O-N 3.18Å; A210-S212 VanDerWaalsContact C-N 3.29Å; A210-S212 PolarHBondContact O-N 3.1Å; A210-V216 HydrophobicContact CB-CG2 3.74Å
211Y97.3Very high97.3Very high109 Ų10953.1 Ų53.143%0.42730%0.302SS..SBendtrans-59.9-38.9176.5-75.6-58.1000113.2A161 R162 Q193A161-Y211 WeakPolarHBondContact O-CE2 3.43Å; A161-Y211 PolarHBondContact O-OH 2.73Å; R162-Y211 PolarHBondContact O-OH 3.3Å; Q193-Y211 VanDerWaalsContact CB-OH 3.28Å; Q193-Y211 WeakPolarHBondContact CB-OH 3.35Å
212S97.6Very high97.5Very high49 Ų4950.6 Ų50.634%0.34328%0.281SS..SBendtrans-161.6173.2169.7780000109.5A210 A214 H215A210-S212 VanDerWaalsContact C-N 3.29Å; A210-S212 PolarHBondContact O-N 3.1Å; S212-A214 PolarHBondContact O-N 3.46Å; S212-A214 PolarHBondContact OG-N 3.32Å; S212-H215 PolarHBondContact O-N 3.24Å; S212-H215 PolarHBondContact OG-ND1 3.2Å
213S96.7Very high97.6Very high113 Ų11352.8 Ų52.879%0.7930%0.301SS*.THydrogen-bonded Turntrans-61-14.5174.260.10000114.4
214A97.5Very high97.7Very high75 Ų7553.3 Ų53.362%0.6230%0.297SS*.THydrogen-bonded Turntrans-88.6-12.4175.200000113.3S212S212-A214 PolarHBondContact O-N 3.46Å; S212-A214 PolarHBondContact OG-N 3.32Å
215H98.5Very high97.8Very high72 Ų7251.9 Ų51.933%0.33329%0.287SS..SBendtrans-111.554.7-177.3-57.798.4000109.9F164 P196 S212F164-H215 HydrophobicContact CB-CB 3.89Å; F164-H215 HydrophobicContact CD1-CB 4.26Å; F164-H215 AromaticContact CD1-CD2 3.65Å; F164-H215 VanDerWaalsContact CD2-C 3.48Å; F164-H215 HydrophobicContact CD2-CB 3.82Å; F164-H215 HydrophobicContact CE2-CB 4.41Å; F164-H215 HydrophobicContact CG-CB 3.73Å; F164-H215 AromaticContact CG-CD2 3.75Å; P196-H215 WeakPolarHBondContact CB-O 3.35Å; S212-H215 PolarHBondContact O-N 3.24Å; S212-H215 PolarHBondContact OG-ND1 3.2Å
216V98.7Very high97.9Very high14 Ų1452.5 Ų52.59%0.08529%0.29CS..  trans-128.6136.8-176.8175.30000108.6P196 E198 A210P196-V216 CarbonylContact O-C 3.56Å; P196-V216 WeakPolarHBondContact O-CA 3.13Å; E198-V216 HydrophobicContact CB-CG1 3.72Å; E198-V216 HydrophobicContact CG-CG1 4.49Å; A210-V216 HydrophobicContact CB-CG2 3.74Å
217Y98.7Very high97.9Very high0 Ų055.5 Ų55.50%030%0.304CS..BIsolated β-bridgetrans-93.1102.2167.2-59.6-63.6000108.7T160 F164 L165 V167 I170 W187 I189 P196 E198T160-Y217 VanDerWaalsContact CB-OH 3.23Å; T160-Y217 WeakPolarHBondContact CB-OH 3.22Å; T160-Y217 HydrophobicContact CG2-CE2 4.35Å; T160-Y217 WeakPolarHBondContact CG2-OH 3.07Å; T160-Y217 WeakPolarHBondContact OG1-CE2 3.42Å; F164-Y217 HydrophobicContact CD2-CE1 4.23Å; F164-Y217 AromaticContact CD2-CE2 3.92Å; F164-Y217 HydrophobicContact CD2-CE2 3.92Å; F164-Y217 AromaticContact CD2-CZ 3.7Å; F164-Y217 AromaticContact CE2-CD1 3.82Å; F164-Y217 HydrophobicContact CE2-CD1 3.82Å; F164-Y217 HydrophobicContact CE2-CD2 4.1Å; F164-Y217 AromaticContact CE2-CE1 3.41Å; F164-Y217 HydrophobicContact CE2-CE1 3.41Å; F164-Y217 VanDerWaalsContact CE2-CE1 3.41Å; F164-Y217 AromaticContact CE2-CE2 3.72Å; F164-Y217 HydrophobicContact CE2-CE2 3.72Å; F164-Y217 HydrophobicContact CE2-CG 4.14Å; F164-Y217 AromaticContact CE2-CZ 3.35Å; F164-Y217 HydrophobicContact CZ-CD1 4.1Å; F164-Y217 AromaticContact CZ-CE1 3.62Å; F164-Y217 HydrophobicContact CZ-CE1 3.62Å; F164-Y217 AromaticContact CZ-CZ 3.96Å; L165-Y217 PolarHBondContact N-OH 2.67Å; L165-Y217 VanDerWaalsContact N-OH 3.14Å; L165-Y217 VanDerWaalsContact O-CE1 3.26Å; L165-Y217 WeakPolarHBondContact O-CE1 3.44Å; L165-Y217 VanDerWaalsContact O-CZ 3.31Å; L165-Y217 PolarHBondContact O-OH 2.69Å; V167-Y217 HydrophobicContact CG2-CD1 4.4Å; I170-Y217 HydrophobicContact CD1-CE1 3.89Å; W187-Y217 HydrophobicContact CH2-CD1 4.21Å; W187-Y217 HydrophobicContact CH2-CD2 4.43Å; W187-Y217 HydrophobicContact CH2-CG 4.13Å; W187-Y217 AromaticContact CZ2-CD1 3.88Å; W187-Y217 HydrophobicContact CZ2-CD1 3.88Å; W187-Y217 AromaticContact CZ2-CD2 3.65Å; W187-Y217 HydrophobicContact CZ2-CD2 3.65Å; W187-Y217 AromaticContact CZ2-CE1 3.95Å; W187-Y217 HydrophobicContact CZ2-CE1 3.95Å; W187-Y217 AromaticContact CZ2-CE2 3.72Å; W187-Y217 HydrophobicContact CZ2-CE2 3.72Å; W187-Y217 AromaticContact CZ2-CG 3.74Å; W187-Y217 HydrophobicContact CZ2-CG 3.74Å; W187-Y217 AromaticContact CZ2-CZ 3.87Å; I189-Y217 HydrophobicContact CD1-CD2 4.22Å; I189-Y217 HydrophobicContact CG1-CD2 4.09Å; I189-Y217 HydrophobicContact CG1-CE2 4.41Å; P196-Y217 HydrophobicContact CB-CD2 3.76Å; P196-Y217 HydrophobicContact CB-CE2 3.86Å; P196-Y217 HydrophobicContact CG-CD2 3.9Å; P196-Y217 HydrophobicContact CG-CE2 3.78Å; P196-Y217 PolarHBondContact O-N 2.87Å; E198-Y217 WeakPolarHBondContact CB-O 3.45Å; E198-Y217 PolarHBondContact N-O 2.85Å
218H98.3Very high98Very high50 Ų5053.8 Ų53.823%0.23128%0.282CS..  trans-69162.8175.7-65-70.7000111.3E198 W220 D221 V222E198-H218 IonicContact OE1-ND1 3.73Å; E198-H218 IonicContact OE2-CE1 2.73Å; E198-H218 IonicContact OE2-CG 3.73Å; E198-H218 IonicContact OE2-ND1 3.98Å; E198-H218 PolarHBondContact OE2-ND1 2.95Å; H218-W220 HydrophobicContact CB-CD2 3.58Å; H218-W220 HydrophobicContact CB-CE3 3.94Å; H218-W220 HydrophobicContact CB-CG 4.2Å; H218-W220 HydrophobicContact CB-CH2 3.67Å; H218-W220 HydrophobicContact CB-CZ2 3.28Å; H218-W220 HydrophobicContact CB-CZ3 3.97Å; H218-W220 AromaticContact CD2-CE2 3.86Å; H218-W220 AromaticContact CD2-CZ2 3.38Å; H218-W220 WeakPolarHBondContact CD2-CZ2 3.31Å; H218-W220 AromaticContact CD2-NE1 3.99Å; H218-W220 AromaticContact CG-CE2 3.59Å; H218-W220 AromaticContact CG-CH2 3.57Å; H218-W220 AromaticContact CG-CZ2 3.14Å; H218-W220 AromaticContact ND1-CH2 3.62Å; H218-W220 AromaticContact ND1-CZ2 3.64Å; H218-W220 AromaticContact NE2-CZ2 3.97Å; H218-W220 PolarHBondContact O-N 2.97Å; H218-W220 VanDerWaalsContact O-N 3.14Å; H218-D221 WeakPolarHBondContact CB-OD2 3.45Å; H218-D221 IonicContact CD2-OD2 3.77Å; H218-D221 PolarHBondContact CD2-OD2 3.31Å; H218-D221 IonicContact CG-OD2 2.71Å; H218-D221 PolarHBondContact N-OD2 3.14Å; H218-D221 WeakPolarHBondContact O-CB 3.13Å; H218-D221 PolarHBondContact O-N 2.97Å; H218-V222 PolarHBondContact O-N 2.83Å; H218-V222 VanDerWaalsContact O-N 3.09Å
219P98.2Very high98.1Very high24 Ų2446 Ų4616%0.15625%0.251CS..Hα-helixtrans-54.4-34.9178-27.333.7000113.7E198 E200 A223E198-P219 WeakPolarHBondContact OE2-CD 3.04Å; E200-P219 HydrophobicContact CG-CG 4.1Å; P219-A223 WeakPolarHBondContact O-CB 3.38Å; P219-A223 PolarHBondContact O-N 3.06Å; P219-A223 VanDerWaalsContact O-N 3.09Å
220W98.3Very high98.3Very high157 Ų15746.4 Ų46.460%0.59525%0.252SS*.Hα-helixtrans-73.2-34.2176.355.380.8000112.9H218 A223 E224H218-W220 HydrophobicContact CB-CD2 3.58Å; H218-W220 HydrophobicContact CB-CE3 3.94Å; H218-W220 HydrophobicContact CB-CG 4.2Å; H218-W220 HydrophobicContact CB-CH2 3.67Å; H218-W220 HydrophobicContact CB-CZ2 3.28Å; H218-W220 HydrophobicContact CB-CZ3 3.97Å; H218-W220 AromaticContact CD2-CE2 3.86Å; H218-W220 AromaticContact CD2-CZ2 3.38Å; H218-W220 WeakPolarHBondContact CD2-CZ2 3.31Å; H218-W220 AromaticContact CD2-NE1 3.99Å; H218-W220 AromaticContact CG-CE2 3.59Å; H218-W220 AromaticContact CG-CH2 3.57Å; H218-W220 AromaticContact CG-CZ2 3.14Å; H218-W220 AromaticContact ND1-CH2 3.62Å; H218-W220 AromaticContact ND1-CZ2 3.64Å; H218-W220 AromaticContact NE2-CZ2 3.97Å; H218-W220 PolarHBondContact O-N 2.97Å; H218-W220 VanDerWaalsContact O-N 3.14Å; W220-A223 PolarHBondContact O-N 3.48Å; W220-E224 WeakPolarHBondContact O-CB 3.32Å; W220-E224 PolarHBondContact O-N 3.5Å
221D98.7Very high98.3Very high25 Ų2546.7 Ų46.713%0.13425%0.251CS..Hα-helixtrans-63.8-44.6175-59.6-34.8000110.5V167 H218 A223 E224 I225V167-D221 HydrophobicContact CG2-CB 3.73Å; H218-D221 WeakPolarHBondContact CB-OD2 3.45Å; H218-D221 IonicContact CD2-OD2 3.77Å; H218-D221 PolarHBondContact CD2-OD2 3.31Å; H218-D221 IonicContact CG-OD2 2.71Å; H218-D221 PolarHBondContact N-OD2 3.14Å; H218-D221 WeakPolarHBondContact O-CB 3.13Å; H218-D221 PolarHBondContact O-N 2.97Å; D221-A223 PolarHBondContact O-N 3.46Å; D221-E224 PolarHBondContact O-N 2.9Å; D221-I225 WeakPolarHBondContact O-CG1 3.21Å; D221-I225 PolarHBondContact O-N 2.82Å
222V98.7Very high98.4Very high1 Ų141.6 Ų41.61%0.00623%0.231CC..Hα-helixtrans-62.3-43.8176.31770000110.7W187 F197 H218 I225 I226 F299W187-V222 HydrophobicContact CH2-CG2 4.18Å; W187-V222 HydrophobicContact CZ3-CG1 4.48Å; W187-V222 HydrophobicContact CZ3-CG2 4.43Å; F197-V222 HydrophobicContact CD2-CG2 4.15Å; F197-V222 HydrophobicContact CE2-CG2 4.08Å; H218-V222 PolarHBondContact O-N 2.83Å; H218-V222 VanDerWaalsContact O-N 3.09Å; V222-I225 PolarHBondContact O-N 3.49Å; V222-I226 HydrophobicContact CG1-CD1 3.8Å; V222-I226 WeakPolarHBondContact O-CB 3.48Å; V222-I226 WeakPolarHBondContact O-CD1 3.41Å; V222-I226 VanDerWaalsContact O-CG1 3.23Å; V222-I226 WeakPolarHBondContact O-CG1 3.45Å; V222-I226 PolarHBondContact O-N 3.3Å; V222-F299 HydrophobicContact CG1-CE1 4.16Å; V222-F299 HydrophobicContact CG1-CE2 3.9Å; V222-F299 HydrophobicContact CG1-CZ 3.66Å
223A98.6Very high98.4Very high57 Ų5739.3 Ų39.347%0.47122%0.215SC..Hα-helixtrans-63.8-41.4176.600000112.2P219 W220 D221 I226 E227P219-A223 WeakPolarHBondContact O-CB 3.38Å; P219-A223 PolarHBondContact O-N 3.06Å; P219-A223 VanDerWaalsContact O-N 3.09Å; W220-A223 PolarHBondContact O-N 3.48Å; D221-A223 PolarHBondContact O-N 3.46Å; A223-I226 PolarHBondContact O-N 3.35Å; A223-E227 VanDerWaalsContact O-CB 3.32Å; A223-E227 WeakPolarHBondContact O-CB 3.48Å; A223-E227 PolarHBondContact O-N 2.82Å
224E98.6Very high98.5Very high83 Ų8334 Ų3439%0.38818%0.178SC..Hα-helixtrans-62.8-46.8177.2-175.4179.5163.500111.4K171 W220 D221 I226 E227 Y228K171-E224 WeakPolarHBondContact CE-OE1 3.44Å; K171-E224 IonicContact NZ-OE1 3.49Å; K171-E224 PolarHBondContact NZ-OE1 2.94Å; W220-E224 WeakPolarHBondContact O-CB 3.32Å; W220-E224 PolarHBondContact O-N 3.5Å; D221-E224 PolarHBondContact O-N 2.9Å; E224-I226 PolarHBondContact O-N 2.98Å; E224-E227 PolarHBondContact O-N 3.22Å; E224-Y228 VanDerWaalsContact O-CB 3.25Å; E224-Y228 WeakPolarHBondContact O-CB 3.23Å; E224-Y228 PolarHBondContact O-N 2.63Å
225I98.8Very high98.6Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-62.5-44.2178.3-71.7164.3000111.2V167 I170 I174 F185 W187 D221 V222 E227 Y228 A229V167-I225 HydrophobicContact CG1-CD1 4.23Å; V167-I225 HydrophobicContact CG1-CG1 4.01Å; V167-I225 HydrophobicContact CG2-CD1 4.26Å; I170-I225 HydrophobicContact CB-CD1 4.39Å; I170-I225 HydrophobicContact CD1-CD1 3.94Å; I170-I225 HydrophobicContact CG2-CD1 4.07Å; I170-I225 HydrophobicContact CG2-CG1 4.18Å; I170-I225 HydrophobicContact CG2-CG2 3.89Å; I174-I225 HydrophobicContact CD1-CG2 3.97Å; F185-I225 HydrophobicContact CD1-CG2 4.37Å; F185-I225 HydrophobicContact CE1-CG2 4.12Å; W187-I225 HydrophobicContact CE3-CG2 4.27Å; W187-I225 HydrophobicContact CH2-CD1 3.38Å; W187-I225 HydrophobicContact CZ2-CD1 4.08Å; W187-I225 HydrophobicContact CZ3-CB 4.18Å; W187-I225 HydrophobicContact CZ3-CD1 3.83Å; W187-I225 HydrophobicContact CZ3-CG2 3.89Å; D221-I225 WeakPolarHBondContact O-CG1 3.21Å; D221-I225 PolarHBondContact O-N 2.82Å; V222-I225 PolarHBondContact O-N 3.49Å; I225-E227 VanDerWaalsContact C-N 3.35Å; I225-Y228 PolarHBondContact O-N 2.83Å; I225-A229 VanDerWaalsContact O-CB 3.29Å; I225-A229 WeakPolarHBondContact O-CB 3.25Å; I225-A229 PolarHBondContact O-N 2.81Å
226I98.8Very high98.6Very high12 Ų1227.6 Ų27.66%0.06214%0.135CC..Hα-helixtrans-62.2-44.3177.6-70.6166.6000110.9Y91 V222 A223 E224 A229 R230 V236 F299 K300Y91-I226 HydrophobicContact CE1-CG2 3.88Å; V222-I226 HydrophobicContact CG1-CD1 3.8Å; V222-I226 WeakPolarHBondContact O-CB 3.48Å; V222-I226 WeakPolarHBondContact O-CD1 3.41Å; V222-I226 VanDerWaalsContact O-CG1 3.23Å; V222-I226 WeakPolarHBondContact O-CG1 3.45Å; V222-I226 PolarHBondContact O-N 3.3Å; A223-I226 PolarHBondContact O-N 3.35Å; E224-I226 PolarHBondContact O-N 2.98Å; I226-A229 PolarHBondContact O-N 3.21Å; I226-R230 WeakPolarHBondContact O-CB 3.38Å; I226-R230 PolarHBondContact O-N 3.06Å; I226-V236 HydrophobicContact CG1-CB 4.17Å; I226-V236 HydrophobicContact CG1-CG1 4.35Å; I226-V236 HydrophobicContact CG1-CG2 4.21Å; I226-F299 HydrophobicContact CD1-CD1 3.82Å; I226-F299 HydrophobicContact CD1-CE1 4.18Å; I226-F299 HydrophobicContact CD1-CG 4.16Å; I226-F299 HydrophobicContact CG1-CD1 4.31Å; I226-K300 HydrophobicContact CG2-CG 4.01Å
227E98.5Very high98.6Very high68 Ų6827 Ų2732%0.31813%0.132SC..Hα-helixtrans-67.6-42.8179.8-178.356.1-16000111.7A223 E224 I225 A229 R230 L231A223-E227 VanDerWaalsContact O-CB 3.32Å; A223-E227 WeakPolarHBondContact O-CB 3.48Å; A223-E227 PolarHBondContact O-N 2.82Å; E224-E227 PolarHBondContact O-N 3.22Å; I225-E227 VanDerWaalsContact C-N 3.35Å; E227-A229 PolarHBondContact O-N 3.2Å; E227-R230 VanDerWaalsContact O-CB 3.32Å; E227-R230 WeakPolarHBondContact O-CB 3.35Å; E227-R230 PolarHBondContact O-N 2.63Å; E227-R230 IonicContact OE1-CZ 2.7Å; E227-R230 VanDerWaalsContact OE1-CZ 3.25Å; E227-R230 IonicContact OE1-NE 2.7Å; E227-R230 PolarHBondContact OE1-NE 3.41Å; E227-R230 IonicContact OE1-NH2 3.01Å; E227-R230 PolarHBondContact OE1-NH2 3.16Å; E227-R230 VanDerWaalsContact OE2-CD 3.31Å; E227-R230 WeakPolarHBondContact OE2-CD 3.35Å; E227-R230 IonicContact OE2-CZ 3.73Å; E227-R230 IonicContact OE2-NE 2.98Å; E227-R230 PolarHBondContact OE2-NE 3.16Å; E227-R230 IonicContact OE2-NH2 3.55Å; E227-L231 WeakPolarHBondContact O-CG 3.32Å; E227-L231 PolarHBondContact O-N 2.81Å; E227-L231 VanDerWaalsContact O-N 3.11Å
228Y98.6Very high98.6Very high38 Ų3827.1 Ų27.115%0.14913%0.133CC..Hα-helixtrans-62.5-43.3176.1-168.3-94.2000111.5K171 I174 E175 E224 I225 R230 L231 W232K171-Y228 HydrophobicContact CB-CD1 3.76Å; K171-Y228 HydrophobicContact CB-CE1 3.73Å; K171-Y228 HydrophobicContact CB-CG 4.27Å; K171-Y228 HydrophobicContact CD-CG 4.39Å; K171-Y228 HydrophobicContact CG-CD1 3.7Å; K171-Y228 HydrophobicContact CG-CD2 4.39Å; K171-Y228 HydrophobicContact CG-CE1 4.19Å; K171-Y228 HydrophobicContact CG-CG 3.82Å; K171-Y228 VanDerWaalsContact O-CE1 3.23Å; K171-Y228 WeakPolarHBondContact O-CE1 3.42Å; I174-Y228 HydrophobicContact CB-CD1 4.29Å; I174-Y228 HydrophobicContact CB-CE1 4.4Å; I174-Y228 HydrophobicContact CG2-CD1 3.96Å; I174-Y228 HydrophobicContact CG2-CE1 4.22Å; E175-Y228 PolarHBondContact OE2-OH 2.94Å; E224-Y228 VanDerWaalsContact O-CB 3.25Å; E224-Y228 WeakPolarHBondContact O-CB 3.23Å; E224-Y228 PolarHBondContact O-N 2.63Å; I225-Y228 PolarHBondContact O-N 2.83Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 3.1Å; Y228-L231 PolarHBondContact O-N 3.36Å; Y228-W232 AromaticContact CD1-CD1 3.87Å; Y228-W232 AromaticContact CE1-CD1 3.53Å; Y228-W232 AromaticContact CE1-NE1 3.34Å; Y228-W232 VanDerWaalsContact CE1-NE1 3.34Å; Y228-W232 AromaticContact CZ-CD1 3.98Å; Y228-W232 AromaticContact CZ-NE1 3.33Å; Y228-W232 VanDerWaalsContact CZ-NE1 3.33Å; Y228-W232 VanDerWaalsContact O-CD1 3.25Å; Y228-W232 PolarHBondContact O-N 3.2Å; Y228-W232 PolarHBondContact OH-NE1 3.4Å
229A98.8Very high98.6Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-60.8-40.9173.500000112.8I174 I225 I226 E227 L231 W232 G233 V234 V236I174-A229 HydrophobicContact CD1-CB 4.12Å; I174-A229 HydrophobicContact CG2-CB 4.15Å; I225-A229 VanDerWaalsContact O-CB 3.29Å; I225-A229 WeakPolarHBondContact O-CB 3.25Å; I225-A229 PolarHBondContact O-N 2.81Å; I226-A229 PolarHBondContact O-N 3.21Å; E227-A229 PolarHBondContact O-N 3.2Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 2.98Å; A229-W232 CarbonylContact O-C 3.55Å; A229-W232 WeakPolarHBondContact O-CA 3.35Å; A229-W232 PolarHBondContact O-N 3.01Å; A229-W232 VanDerWaalsContact O-N 3.08Å; A229-G233 PolarHBondContact O-N 2.93Å; A229-G233 VanDerWaalsContact O-N 3.14Å; A229-V234 CarbonylContact C-O 3.24Å; A229-V234 HydrophobicContact CB-CB 4.09Å; A229-V234 HydrophobicContact CB-CG1 4.37Å; A229-V234 WeakPolarHBondContact CB-O 3.43Å; A229-V234 PolarHBondContact O-N 2.89Å; A229-V236 HydrophobicContact CB-CG2 3.46Å; A229-V236 VanDerWaalsContact CB-CG2 3.46Å
230R98.5Very high98.6Very high11 Ų1123.6 Ų23.64%0.04211%0.114CC..Hα-helixtrans-59.4-43.2177.7-175-164.881.775.10.7112D39 M90 Y91 W118 I226 E227 Y228 W232 G233D39-R230 VanDerWaalsContact CG-NH2 3.28Å; D39-R230 IonicContact OD1-NH1 2.75Å; D39-R230 IonicContact OD1-NH2 3.32Å; D39-R230 IonicContact OD2-CZ 3.66Å; D39-R230 IonicContact OD2-NH1 3.76Å; D39-R230 IonicContact OD2-NH2 3.48Å; D39-R230 PolarHBondContact OD2-NH2 2.83Å; M90-R230 WeakPolarHBondContact O-CD 3.3Å; M90-R230 WeakPolarHBondContact O-CG 3.23Å; M90-R230 PolarHBondContact O-NH1 2.98Å; M90-R230 VanDerWaalsContact O-NH1 3.14Å; Y91-R230 HydrophobicContact CD1-CB 4.03Å; Y91-R230 VanDerWaalsContact CD1-CD 3.47Å; Y91-R230 HydrophobicContact CD1-CG 3.6Å; Y91-R230 HydrophobicContact CE1-CB 4.18Å; Y91-R230 HydrophobicContact CE1-CG 3.93Å; Y91-R230 HydrophobicContact CG-CG 4.37Å; W118-R230 WeakPolarHBondContact CZ3-O 3.33Å; I226-R230 WeakPolarHBondContact O-CB 3.38Å; I226-R230 PolarHBondContact O-N 3.06Å; E227-R230 VanDerWaalsContact O-CB 3.32Å; E227-R230 WeakPolarHBondContact O-CB 3.35Å; E227-R230 PolarHBondContact O-N 2.63Å; E227-R230 IonicContact OE1-CZ 2.7Å; E227-R230 VanDerWaalsContact OE1-CZ 3.25Å; E227-R230 IonicContact OE1-NE 2.7Å; E227-R230 PolarHBondContact OE1-NE 3.41Å; E227-R230 IonicContact OE1-NH2 3.01Å; E227-R230 PolarHBondContact OE1-NH2 3.16Å; E227-R230 VanDerWaalsContact OE2-CD 3.31Å; E227-R230 WeakPolarHBondContact OE2-CD 3.35Å; E227-R230 IonicContact OE2-CZ 3.73Å; E227-R230 IonicContact OE2-NE 2.98Å; E227-R230 PolarHBondContact OE2-NE 3.16Å; E227-R230 IonicContact OE2-NH2 3.55Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 3.1Å; R230-W232 PolarHBondContact O-N 3.44Å; R230-G233 PolarHBondContact O-N 3.27Å
231L98.3Very high98.6Very high23 Ų2316.1 Ų16.112%0.129%0.086CC..Hα-helixtrans-60.6-28.8176.6-66.5173.9000112.4I40 H43 E227 Y228 A229I40-L231 HydrophobicContact CG1-CD2 4.34Å; H43-L231 HydrophobicContact CB-CD1 4.43Å; H43-L231 HydrophobicContact CB-CD2 4.23Å; E227-L231 WeakPolarHBondContact O-CG 3.32Å; E227-L231 PolarHBondContact O-N 2.81Å; E227-L231 VanDerWaalsContact O-N 3.11Å; Y228-L231 PolarHBondContact O-N 3.36Å; A229-L231 VanDerWaalsContact C-N 3.34Å; A229-L231 PolarHBondContact O-N 2.98Å
232W98.3Very high98.4Very high2 Ų215 Ų151%0.0088%0.08CC..THydrogen-bonded Turntrans-91.31.8175.4-70.4118.2000114.5H43 Y47 R122 I174 E175 Y228 A229 R230 V234H43-W232 AromaticContact NE2-CE2 3.73Å; H43-W232 AromaticContact NE2-CZ2 3.6Å; H43-W232 AromaticContact NE2-NE1 3.81Å; Y47-W232 AromaticContact CD1-CH2 3.54Å; Y47-W232 HydrophobicContact CD1-CH2 3.54Å; Y47-W232 HydrophobicContact CD1-CZ2 4.48Å; Y47-W232 HydrophobicContact CD1-CZ3 4.27Å; Y47-W232 AromaticContact CD2-CH2 3.9Å; Y47-W232 HydrophobicContact CD2-CH2 3.9Å; Y47-W232 HydrophobicContact CD2-CZ2 4.08Å; Y47-W232 AromaticContact CE1-CH2 3.94Å; Y47-W232 HydrophobicContact CE1-CH2 3.94Å; Y47-W232 HydrophobicContact CE2-CH2 4.29Å; Y47-W232 HydrophobicContact CE2-CZ2 4.4Å; Y47-W232 AromaticContact CG-CH2 3.49Å; Y47-W232 HydrophobicContact CG-CH2 3.49Å; Y47-W232 VanDerWaalsContact CG-CH2 3.49Å; Y47-W232 HydrophobicContact CG-CZ2 4.11Å; R122-W232 PolarHBondContact NH1-O 2.91Å; I174-W232 HydrophobicContact CG2-CB 4.25Å; I174-W232 HydrophobicContact CG2-CG 4.36Å; E175-W232 HydrophobicContact CG-CH2 4.46Å; E175-W232 HydrophobicContact CG-CZ2 3.86Å; Y228-W232 AromaticContact CD1-CD1 3.87Å; Y228-W232 AromaticContact CE1-CD1 3.53Å; Y228-W232 AromaticContact CE1-NE1 3.34Å; Y228-W232 VanDerWaalsContact CE1-NE1 3.34Å; Y228-W232 AromaticContact CZ-CD1 3.98Å; Y228-W232 AromaticContact CZ-NE1 3.33Å; Y228-W232 VanDerWaalsContact CZ-NE1 3.33Å; Y228-W232 VanDerWaalsContact O-CD1 3.25Å; Y228-W232 PolarHBondContact O-N 3.2Å; Y228-W232 PolarHBondContact OH-NE1 3.4Å; A229-W232 CarbonylContact O-C 3.55Å; A229-W232 WeakPolarHBondContact O-CA 3.35Å; A229-W232 PolarHBondContact O-N 3.01Å; A229-W232 VanDerWaalsContact O-N 3.08Å; R230-W232 PolarHBondContact O-N 3.44Å; W232-V234 VanDerWaalsContact C-N 3.25Å; W232-V234 HydrophobicContact CB-CG2 4.06Å; W232-V234 PolarHBondContact O-N 3.01Å
233G98.2Very high98.2Very high0 Ų014.9 Ų14.90%08%0.079CC..THydrogen-bonded Turntrans6235.4-17400000112.6W118 R122 A229 R230W118-G233 VanDerWaalsContact CE3-CA 3.41Å; W118-G233 VanDerWaalsContact CZ3-CA 3.41Å; R122-G233 PolarHBondContact NH2-O 3.41Å; A229-G233 PolarHBondContact O-N 2.93Å; A229-G233 VanDerWaalsContact O-N 3.14Å; R230-G233 PolarHBondContact O-N 3.27Å
234V98.8Very high97.9Very high2 Ų212.2 Ų12.21%0.0126%0.057CC..  trans-106.9128.1175.3178.90000108.6I174 M177 F185 A229 W232I174-V234 HydrophobicContact CG2-CB 4.4Å; I174-V234 HydrophobicContact CG2-CG2 4.34Å; M177-V234 HydrophobicContact CE-CG1 3.72Å; F185-V234 HydrophobicContact CB-CG1 3.85Å; A229-V234 CarbonylContact C-O 3.24Å; A229-V234 HydrophobicContact CB-CB 4.09Å; A229-V234 HydrophobicContact CB-CG1 4.37Å; A229-V234 WeakPolarHBondContact CB-O 3.43Å; A229-V234 PolarHBondContact O-N 2.89Å; W232-V234 VanDerWaalsContact C-N 3.25Å; W232-V234 HydrophobicContact CB-CG2 4.06Å; W232-V234 PolarHBondContact O-N 3.01Å
235R98.8Very high97.7Very high4 Ų49.1 Ų9.12%0.0154%0.043CC..EExtended strand (participates in β ladder)trans-81.5136.9175-64.6161.257.8-140.5-13109.1P92 V94 H153 N183 V184 F185 D301P92-R235 HydrophobicContact CB-CG 3.85Å; P92-R235 HydrophobicContact CG-CG 3.81Å; V94-R235 VanDerWaalsContact CG2-CZ 3.5Å; V94-R235 VanDerWaalsContact CG2-NH2 3.29Å; H153-R235 PolarHBondContact ND1-NH1 3.15Å; N183-R235 WeakPolarHBondContact O-CB 3.4Å; N183-R235 PolarHBondContact O-N 3.38Å; V184-R235 CarbonylContact C-O 3.5Å; V184-R235 WeakPolarHBondContact CA-O 3.44Å; V184-R235 HydrophobicContact CG2-CB 4.33Å; F185-R235 PolarHBondContact N-O 3.37Å; R235-D301 WeakPolarHBondContact CB-OD2 3.36Å; R235-D301 WeakPolarHBondContact CG-OD2 3.46Å; R235-D301 IonicContact CZ-OD1 3.75Å; R235-D301 IonicContact CZ-OD2 3.14Å; R235-D301 IonicContact NE-OD1 3.89Å; R235-D301 IonicContact NE-OD2 3.26Å; R235-D301 PolarHBondContact NE-OD2 2.88Å; R235-D301 IonicContact NH2-OD1 3.43Å; R235-D301 PolarHBondContact NH2-OD1 2.9Å; R235-D301 IonicContact NH2-OD2 3.57Å; R235-D301 PolarHBondContact NH2-OD2 3.43Å
236V98.9Very high97.4Very high8 Ų89.1 Ų9.15%0.0484%0.043CC..EExtended strand (participates in β ladder)trans-101110.9172.5-175.10000109.1F185 W187 I226 A229 F299 D301F185-V236 HydrophobicContact CD1-CG1 3.99Å; F185-V236 HydrophobicContact CD1-CG2 4.22Å; F185-V236 WeakPolarHBondContact O-CA 3.35Å; W187-V236 HydrophobicContact CB-CG1 4.49Å; W187-V236 HydrophobicContact CE3-CG1 4.05Å; I226-V236 HydrophobicContact CG1-CB 4.17Å; I226-V236 HydrophobicContact CG1-CG1 4.35Å; I226-V236 HydrophobicContact CG1-CG2 4.21Å; A229-V236 HydrophobicContact CB-CG2 3.46Å; A229-V236 VanDerWaalsContact CB-CG2 3.46Å; V236-F299 HydrophobicContact CG1-CD1 3.9Å; V236-F299 HydrophobicContact CG1-CE1 3.75Å; V236-D301 VanDerWaalsContact O-CB 3.31Å; V236-D301 WeakPolarHBondContact O-CB 3.2Å
237V98.8Very high97.1Very high3 Ų38.6 Ų8.62%0.0184%0.04CC..EExtended strand (participates in β ladder)trans-103.2108.5178.8178.70000107.9V184 F185 H186 W187 D301 H305V184-V237 HydrophobicContact CG1-CB 4.27Å; V184-V237 HydrophobicContact CG1-CG2 3.73Å; F185-V237 PolarHBondContact O-N 3.45Å; H186-V237 WeakPolarHBondContact CA-O 3.26Å; W187-V237 PolarHBondContact N-O 2.82Å; V237-D301 HydrophobicContact CG2-CB 4.29Å; V237-H305 HydrophobicContact CG1-CB 4.5Å
238P98.7Very high96.9Very high2 Ų25.4 Ų5.41%0.0133%0.025CC..EExtended strand (participates in β ladder)trans-75.8144.717831.1-34.7000111.2F240 V295 F299 L304 H305P238-F240 HydrophobicContact CB-CD2 4.31Å; P238-F240 HydrophobicContact CB-CE2 4.07Å; P238-V295 HydrophobicContact CB-CG1 4.19Å; P238-V295 HydrophobicContact CG-CG1 3.79Å; P238-F299 HydrophobicContact CB-CD1 3.76Å; P238-F299 HydrophobicContact CB-CD2 4.01Å; P238-F299 HydrophobicContact CB-CE1 3.74Å; P238-F299 HydrophobicContact CB-CE2 3.99Å; P238-F299 HydrophobicContact CB-CG 3.89Å; P238-F299 HydrophobicContact CB-CZ 3.86Å; P238-F299 HydrophobicContact CG-CB 3.8Å; P238-F299 HydrophobicContact CG-CD1 3.71Å; P238-F299 HydrophobicContact CG-CD2 3.93Å; P238-F299 HydrophobicContact CG-CE1 4.23Å; P238-F299 HydrophobicContact CG-CE2 4.42Å; P238-F299 HydrophobicContact CG-CG 3.53Å; P238-L304 HydrophobicContact CG-CD1 3.85Å; P238-H305 PolarHBondContact O-N 3.41Å
239E98.8Very high96.7Very high0 Ų03.6 Ų3.60%02%0.018CC..EExtended strand (participates in β ladder)trans-116.9126.8166.4177.8165.9-146.600111.2H186 W187 H188 I189 H305 G307 W360H186-E239 IonicContact CE1-OE2 2.78Å; H186-E239 PolarHBondContact CE1-OE2 3.44Å; H186-E239 WeakPolarHBondContact NE2-CB 3.39Å; H186-E239 IonicContact NE2-OE2 3.88Å; H186-E239 PolarHBondContact NE2-OE2 2.67Å; W187-E239 PolarHBondContact O-N 3.12Å; H188-E239 IonicContact CE1-OE2 2.9Å; H188-E239 IonicContact CG-OE2 3.41Å; H188-E239 IonicContact ND1-OE1 3.61Å; H188-E239 IonicContact ND1-OE2 2.88Å; H188-E239 PolarHBondContact ND1-OE2 3.42Å; I189-E239 VanDerWaalsContact CG2-O 3.31Å; I189-E239 WeakPolarHBondContact CG2-O 3.49Å; E239-H305 WeakPolarHBondContact CA-O 3.36Å; E239-H305 HydrophobicContact CB-CB 3.73Å; E239-H305 HydrophobicContact CG-CB 4Å; E239-H305 IonicContact OE1-CE1 3.71Å; E239-H305 PolarHBondContact OE1-CE1 3.09Å; E239-H305 IonicContact OE1-CG 3.16Å; E239-H305 IonicContact OE1-ND1 2.75Å; E239-H305 PolarHBondContact OE1-ND1 2.94Å; E239-H305 IonicContact OE2-ND1 3.26Å; E239-G307 WeakPolarHBondContact OE1-CA 3.23Å; E239-W360 PolarHBondContact OE1-NE1 3.48Å
240F98.2Very high96.3Very high0 Ų04 Ų40%02%0.023CC..EExtended strand (participates in β ladder)trans-125.394.2169-75.2-100.1000107.1I189 V190 F195 F197 P238 W249 I291 F292 V295 H305I189-F240 HydrophobicContact CG2-CD1 4.28Å; I189-F240 HydrophobicContact CG2-CD2 4.05Å; I189-F240 HydrophobicContact CG2-CE1 3.84Å; I189-F240 HydrophobicContact CG2-CE2 3.57Å; I189-F240 HydrophobicContact CG2-CG 4.38Å; I189-F240 HydrophobicContact CG2-CZ 3.45Å; I189-F240 VanDerWaalsContact CG2-CZ 3.45Å; V190-F240 HydrophobicContact CG1-CD1 4.45Å; V190-F240 HydrophobicContact CG1-CE1 4.15Å; V190-F240 HydrophobicContact CG2-CB 4.46Å; V190-F240 HydrophobicContact CG2-CD1 3.57Å; V190-F240 HydrophobicContact CG2-CE1 4.1Å; V190-F240 HydrophobicContact CG2-CG 4.22Å; F195-F240 HydrophobicContact CZ-CE1 4.2Å; F197-F240 HydrophobicContact CB-CE1 4.25Å; F197-F240 HydrophobicContact CB-CZ 4.25Å; F197-F240 AromaticContact CD1-CE1 3.84Å; F197-F240 HydrophobicContact CD1-CE1 3.84Å; F197-F240 AromaticContact CD1-CZ 3.77Å; F197-F240 HydrophobicContact CD1-CZ 3.77Å; F197-F240 HydrophobicContact CD2-CZ 4.06Å; F197-F240 HydrophobicContact CE1-CE1 4.4Å; F197-F240 HydrophobicContact CE1-CZ 4.09Å; F197-F240 HydrophobicContact CE2-CZ 4.33Å; F197-F240 HydrophobicContact CG-CE1 4.05Å; F197-F240 AromaticContact CG-CZ 3.75Å; F197-F240 HydrophobicContact CG-CZ 3.75Å; F197-F240 HydrophobicContact CZ-CZ 4.34Å; P238-F240 HydrophobicContact CB-CD2 4.31Å; P238-F240 HydrophobicContact CB-CE2 4.07Å; F240-W249 HydrophobicContact CB-CH2 4.1Å; F240-W249 HydrophobicContact CB-CZ2 4.08Å; F240-W249 AromaticContact CD1-CH2 3.85Å; F240-W249 HydrophobicContact CD1-CH2 3.85Å; F240-W249 AromaticContact CD1-CZ2 3.87Å; F240-W249 HydrophobicContact CD1-CZ2 3.87Å; F240-W249 HydrophobicContact CG-CH2 4.46Å; F240-W249 HydrophobicContact CG-CZ2 4.49Å; F240-I291 HydrophobicContact CD1-CG1 4.48Å; F240-I291 HydrophobicContact CE1-CD1 4.5Å; F240-I291 HydrophobicContact CE1-CG1 4.36Å; F240-F292 HydrophobicContact CB-CE1 3.77Å; F240-F292 HydrophobicContact CB-CZ 3.72Å; F240-F292 HydrophobicContact CG-CE1 4.43Å; F240-V295 HydrophobicContact CD2-CG1 4.19Å; F240-V295 HydrophobicContact CD2-CG2 3.89Å; F240-V295 HydrophobicContact CE1-CG2 4.23Å; F240-V295 HydrophobicContact CE2-CB 4.32Å; F240-V295 HydrophobicContact CE2-CG1 3.93Å; F240-V295 HydrophobicContact CE2-CG2 3.35Å; F240-V295 HydrophobicContact CZ-CG2 3.54Å; F240-H305 PolarHBondContact N-O 2.93Å
241D97.7Very high95.9Very high0 Ų07.6 Ų7.60%04%0.042CC..  trans-68.7137.6-171.7-150.1-45.9000112.1H245 G307 G308D241-H245 HydrophobicContact CB-CB 4.03Å; D241-G307 VanDerWaalsContact CG-CA 3.42Å; D241-G307 WeakPolarHBondContact OD1-CA 3.38Å; D241-G307 WeakPolarHBondContact OD2-CA 3.2Å; D241-G308 PolarHBondContact OD1-N 3.01Å
242S95.5Very high95.4Very high0 Ų06.8 Ų6.80%04%0.04CC..  trans-159.5152.5171.372.40000109G308 H340 F341 L344S242-G308 WeakPolarHBondContact O-CA 3.34Å; S242-G308 PolarHBondContact O-N 2.88Å; S242-H340 PolarHBondContact OG-NE2 3.32Å; S242-F341 WeakPolarHBondContact O-CZ 3.18Å; S242-L344 WeakPolarHBondContact OG-CD2 2.92Å
243P94Very high95.1Very high0 Ų08.8 Ų8.80%05%0.048CC..SBendcis-87.7-12.77.231.4-33.4000115.5V276 I277 I311 W316P243-V276 HydrophobicContact CB-CG2 4.23Å; P243-V276 VanDerWaalsContact O-CA 3.23Å; P243-V276 WeakPolarHBondContact O-CA 3.22Å; P243-V276 VanDerWaalsContact O-CG2 3.28Å; P243-V276 WeakPolarHBondContact O-CG2 3.32Å; P243-I277 HydrophobicContact CB-CG2 3.52Å; P243-I277 PolarHBondContact O-N 2.87Å; P243-I311 HydrophobicContact CG-CD1 3.69Å; P243-I311 HydrophobicContact CG-CG1 3.91Å; P243-I311 HydrophobicContact CG-CG2 3.81Å; P243-W316 HydrophobicContact CB-CH2 3.89Å; P243-W316 HydrophobicContact CB-CZ2 4.22Å; P243-W316 HydrophobicContact CG-CH2 3.75Å
244G91.9Very high94.3Very high0 Ų016 Ų160%09%0.086CC..SBendtrans-82.4-180171.600000111.4M246 G275G244-M246 VanDerWaalsContact C-N 3.3Å; G244-M246 WeakPolarHBondContact O-CG 3.38Å; G244-M246 PolarHBondContact O-N 3.38Å; G244-G275 CarbonylContact C-O 3.35Å
245H94.3Very high93.5Very high19 Ų1922.5 Ų22.59%0.08812%0.12CC..SBendtrans60.335.6176.3-65.7-68.8000114.2R162 D191 D192 D241 G275 D309R162-H245 PolarHBondContact NH2-ND1 2.73Å; D191-H245 CarbonylContact C-O 3.47Å; D191-H245 VanDerWaalsContact C-O 3.24Å; D191-H245 WeakPolarHBondContact CA-O 3.33Å; D191-H245 IonicContact OD1-CG 3.41Å; D191-H245 IonicContact OD1-ND1 3.83Å; D191-H245 PolarHBondContact OD1-ND1 3.42Å; D191-H245 VanDerWaalsContact OD2-CB 3.28Å; D191-H245 WeakPolarHBondContact OD2-CB 3.2Å; D191-H245 IonicContact OD2-CG 3.93Å; D191-H245 VanDerWaalsContact OD2-CG 3.27Å; D191-H245 IonicContact OD2-ND1 3.83Å; D191-H245 PolarHBondContact OD2-ND1 2.91Å; D191-H245 VanDerWaalsContact OD2-ND1 3.14Å; D192-H245 PolarHBondContact N-O 3.35Å; D192-H245 WeakPolarHBondContact OD1-CA 3.39Å; D192-H245 IonicContact OD2-ND1 2.8Å; D241-H245 HydrophobicContact CB-CB 4.03Å; H245-G275 PolarHBondContact N-O 2.92Å; H245-D309 IonicContact CD2-OD1 2.73Å; H245-D309 PolarHBondContact CD2-OD1 2.82Å; H245-D309 IonicContact NE2-OD1 3.7Å; H245-D309 IonicContact NE2-OD2 2.73Å
246M93.9Very high93.1Very high0 Ų022.4 Ų22.40%012%0.12CC..  trans-117.210.9-172.3-56.6-165.573.800115.1D192 G244 S248 W249 G250 L256 L257 G275 I277 L288D192-M246 PolarHBondContact OD1-N 2.98Å; D192-M246 VanDerWaalsContact OD1-N 3.1Å; G244-M246 VanDerWaalsContact C-N 3.3Å; G244-M246 WeakPolarHBondContact O-CG 3.38Å; G244-M246 PolarHBondContact O-N 3.38Å; M246-S248 PolarHBondContact O-N 3.3Å; M246-W249 HydrophobicContact CB-CB 4.37Å; M246-W249 HydrophobicContact CB-CG 4.13Å; M246-W249 HydrophobicContact CE-CB 4.38Å; M246-W249 HydrophobicContact CE-CD2 3.42Å; M246-W249 VanDerWaalsContact CE-CD2 3.42Å; M246-W249 HydrophobicContact CE-CE3 3.46Å; M246-W249 VanDerWaalsContact CE-CE3 3.46Å; M246-W249 HydrophobicContact CE-CG 3.89Å; M246-W249 HydrophobicContact CE-CH2 4.19Å; M246-W249 HydrophobicContact CE-CZ2 4.15Å; M246-W249 HydrophobicContact CE-CZ3 3.86Å; M246-W249 VanDerWaalsContact O-CB 3.25Å; M246-W249 WeakPolarHBondContact O-CB 3.48Å; M246-W249 PolarHBondContact O-N 3.14Å; M246-G250 PolarHBondContact O-N 2.86Å; M246-L256 HydrophobicContact CE-CD2 4.43Å; M246-L257 HydrophobicContact CB-CD2 3.7Å; M246-L257 WeakPolarHBondContact O-CD2 3.35Å; M246-G275 PolarHBondContact N-O 3.48Å; M246-G275 VanDerWaalsContact N-O 3.1Å; M246-I277 HydrophobicContact CE-CD1 4.35Å; M246-I277 HydrophobicContact SD-CB 3.71Å; M246-I277 HydrophobicContact SD-CD1 4.34Å; M246-I277 HydrophobicContact SD-CG1 4.47Å; M246-I277 HydrophobicContact SD-CG2 4.29Å; M246-L288 HydrophobicContact CE-CD2 4.16Å
247A91.6Very high92.6Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-56.5-46.4-173.100000112.8D192 W249 G250 L271D192-A247 HydrophobicContact CB-CB 3.79Å; D192-A247 WeakPolarHBondContact O-CB 3.31Å; D192-A247 WeakPolarHBondContact OD1-CB 3.39Å; D192-A247 PolarHBondContact OD1-N 2.81Å; A247-W249 PolarHBondContact O-N 3.41Å; A247-G250 PolarHBondContact O-N 2.73Å; A247-G250 VanDerWaalsContact O-N 3.09Å; A247-L271 WeakPolarHBondContact CB-O 3.27Å
248S94Very high91.9Very high1 Ų122.8 Ų22.81%0.00712%0.122CC..Hα-helixtrans-59.1-31.3176.469.10000113.7D191 D192 S194 M246 G250 L251D191-S248 VanDerWaalsContact O-CB 3.28Å; D191-S248 WeakPolarHBondContact O-CB 3.43Å; D191-S248 PolarHBondContact O-OG 2.74Å; D192-S248 WeakPolarHBondContact O-CB 3.35Å; D192-S248 PolarHBondContact O-N 2.7Å; S194-S248 PolarHBondContact O-OG 2.79Å; M246-S248 PolarHBondContact O-N 3.3Å; S248-G250 VanDerWaalsContact C-N 3.29Å; S248-G250 PolarHBondContact O-N 2.92Å; S248-L251 WeakPolarHBondContact O-CB 3.35Å; S248-L251 PolarHBondContact O-N 2.98Å
249W94.8Very high90.8Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-65.3-37.2178.5-6056.5000111.2V190 F195 F240 M246 A247 L251 G252 K253 L256 L288 I291V190-W249 HydrophobicContact CG2-CZ2 3.58Å; F195-W249 AromaticContact CD2-CD1 3.74Å; F195-W249 AromaticContact CD2-CD2 3.91Å; F195-W249 HydrophobicContact CD2-CD2 3.91Å; F195-W249 AromaticContact CD2-CE2 3.94Å; F195-W249 AromaticContact CD2-CG 3.84Å; F195-W249 HydrophobicContact CD2-CG 3.84Å; F195-W249 AromaticContact CD2-NE1 3.82Å; F195-W249 AromaticContact CE2-CD2 3.51Å; F195-W249 HydrophobicContact CE2-CD2 3.51Å; F195-W249 AromaticContact CE2-CE2 3.51Å; F195-W249 AromaticContact CE2-CE3 3.84Å; F195-W249 HydrophobicContact CE2-CE3 3.84Å; F195-W249 AromaticContact CE2-CG 3.95Å; F195-W249 HydrophobicContact CE2-CG 3.95Å; F195-W249 HydrophobicContact CE2-CH2 4.18Å; F195-W249 AromaticContact CE2-CZ2 3.88Å; F195-W249 HydrophobicContact CE2-CZ2 3.88Å; F195-W249 HydrophobicContact CE2-CZ3 4.16Å; F195-W249 AromaticContact CE2-NE1 3.89Å; F240-W249 HydrophobicContact CB-CH2 4.1Å; F240-W249 HydrophobicContact CB-CZ2 4.08Å; F240-W249 AromaticContact CD1-CH2 3.85Å; F240-W249 HydrophobicContact CD1-CH2 3.85Å; F240-W249 AromaticContact CD1-CZ2 3.87Å; F240-W249 HydrophobicContact CD1-CZ2 3.87Å; F240-W249 HydrophobicContact CG-CH2 4.46Å; F240-W249 HydrophobicContact CG-CZ2 4.49Å; M246-W249 HydrophobicContact CB-CB 4.37Å; M246-W249 HydrophobicContact CB-CG 4.13Å; M246-W249 HydrophobicContact CE-CB 4.38Å; M246-W249 HydrophobicContact CE-CD2 3.42Å; M246-W249 VanDerWaalsContact CE-CD2 3.42Å; M246-W249 HydrophobicContact CE-CE3 3.46Å; M246-W249 VanDerWaalsContact CE-CE3 3.46Å; M246-W249 HydrophobicContact CE-CG 3.89Å; M246-W249 HydrophobicContact CE-CH2 4.19Å; M246-W249 HydrophobicContact CE-CZ2 4.15Å; M246-W249 HydrophobicContact CE-CZ3 3.86Å; M246-W249 VanDerWaalsContact O-CB 3.25Å; M246-W249 WeakPolarHBondContact O-CB 3.48Å; M246-W249 PolarHBondContact O-N 3.14Å; A247-W249 PolarHBondContact O-N 3.41Å; W249-L251 PolarHBondContact O-N 2.73Å; W249-G252 PolarHBondContact O-N 3.28Å; W249-K253 PolarHBondContact O-N 2.83Å; W249-L256 HydrophobicContact CB-CD2 3.66Å; W249-L256 HydrophobicContact CE3-CD2 4.31Å; W249-L288 HydrophobicContact CE3-CD2 4.33Å; W249-L288 HydrophobicContact CH2-CD2 4.36Å; W249-L288 HydrophobicContact CZ3-CD2 3.67Å; W249-I291 HydrophobicContact CZ3-CG2 4.16Å
250G90.7Very high89.4Confident10 Ų1026.5 Ų26.510%0.10314%0.142CC..Hα-helixtrans-65.5-25.5178.900000113.6M246 A247 S248 K253M246-G250 PolarHBondContact O-N 2.86Å; A247-G250 PolarHBondContact O-N 2.73Å; A247-G250 VanDerWaalsContact O-N 3.09Å; S248-G250 VanDerWaalsContact C-N 3.29Å; S248-G250 PolarHBondContact O-N 2.92Å; G250-K253 CarbonylContact O-C 3.55Å
251L89Confident87.8Confident85 Ų8526.8 Ų26.845%0.44514%0.144SC..Hα-helixtrans-68-38.3175.2-57.2-179.8000111.4Y208 S248 W249Y208-L251 WeakPolarHBondContact CB-O 3.5Å; S248-L251 WeakPolarHBondContact O-CB 3.35Å; S248-L251 PolarHBondContact O-N 2.98Å; W249-L251 PolarHBondContact O-N 2.73Å
252G88.2Confident86.2Confident7 Ų732.4 Ų32.47%0.07217%0.169CC..Hα-helixtrans-89.2-19.5179.300000115.3S204 W249S204-G252 WeakPolarHBondContact CB-O 3.26Å; S204-G252 WeakPolarHBondContact O-CA 3.36Å; S204-G252 PolarHBondContact OG-O 3.14Å; W249-G252 PolarHBondContact O-N 3.28Å
253K91.9Very high84.7Confident43 Ų4336.2 Ų36.219%0.18719%0.189CC..SBendtrans-134.793.9177.5-64.3-63.3174.4-165.10110.7S204 L205 W249 G250 L256 I287S204-K253 VanDerWaalsContact OG-CE 3.25Å; S204-K253 WeakPolarHBondContact OG-CE 3.27Å; S204-K253 PolarHBondContact OG-NZ 3.43Å; L205-K253 HydrophobicContact CD2-CB 4.42Å; L205-K253 HydrophobicContact CD2-CG 3.58Å; L205-K253 HydrophobicContact CG-CG 4.22Å; W249-K253 PolarHBondContact O-N 2.83Å; G250-K253 CarbonylContact O-C 3.55Å; K253-L256 HydrophobicContact CB-CB 4.1Å; K253-L256 HydrophobicContact CB-CD2 4.23Å; K253-L256 WeakPolarHBondContact O-CB 3.47Å; K253-L256 PolarHBondContact O-N 2.84Å; K253-I287 HydrophobicContact CB-CD1 4.48Å; K253-I287 HydrophobicContact CG-CG2 4.22Å
254L82.4Confident83.3Confident153 Ų15344.2 Ų44.280%0.80123%0.227SC*.THydrogen-bonded Turntrans-51.6140.6174.6-64.8172.3000111.1L256L254-L256 PolarHBondContact O-N 2.74Å
255L82.2Confident82Confident138 Ų13851.8 Ų51.872%0.72326%0.262SS*.THydrogen-bonded Turntrans67.64178.7-49.1176.3000116.4K281L255-K281 PolarHBondContact O-NZ 3.37Å
256L89.5Confident80.6Confident1 Ų154.8 Ų54.81%0.00528%0.276CS..  trans-62-44.5173.1-178.967.2000111.2M246 W249 K253 L254 I277 D278 N284 I287M246-L256 HydrophobicContact CE-CD2 4.43Å; W249-L256 HydrophobicContact CB-CD2 3.66Å; W249-L256 HydrophobicContact CE3-CD2 4.31Å; K253-L256 HydrophobicContact CB-CB 4.1Å; K253-L256 HydrophobicContact CB-CD2 4.23Å; K253-L256 WeakPolarHBondContact O-CB 3.47Å; K253-L256 PolarHBondContact O-N 2.84Å; L254-L256 PolarHBondContact O-N 2.74Å; L256-I277 HydrophobicContact CD1-CD1 3.91Å; L256-I277 HydrophobicContact CD1-CG1 4.05Å; L256-I277 HydrophobicContact CG-CD1 4.5Å; L256-I277 HydrophobicContact CG-CG1 4.26Å; L256-I277 WeakPolarHBondContact O-CG1 3.41Å; L256-D278 PolarHBondContact O-N 3.4Å; L256-N284 HydrophobicContact CD1-CB 3.97Å; L256-N284 PolarHBondContact O-ND2 3.34Å; L256-I287 HydrophobicContact CD1-CD1 4.29Å
257L88Confident79.2Confident16 Ų1657.9 Ų57.98%0.08429%0.291CS..BIsolated β-bridgetrans-83.3155.4-175.3-53.4-177.6000112.5M246 L271 V276M246-L257 HydrophobicContact CB-CD2 3.7Å; M246-L257 WeakPolarHBondContact O-CD2 3.35Å; L257-L271 HydrophobicContact CD1-CD2 4.13Å; L257-V276 CarbonylContact C-O 3.56Å; L257-V276 WeakPolarHBondContact CA-O 3.5Å
258S84.4Confident77.8Confident4 Ų465.6 Ų65.63%0.02832%0.321CS..  trans-70.4137.3169-62.40000110.1C260 Q270 V276 I277 D278 C315 W316S258-C260 PolarHBondContact O-N 3.14Å; S258-C260 PolarHBondContact O-SG 3.43Å; S258-C260 VanDerWaalsContact O-SG 3.39Å; S258-Q270 PolarHBondContact O-NE2 3.49Å; S258-V276 PolarHBondContact N-O 3.41Å; S258-I277 PolarHBondContact OG-O 2.99Å; S258-D278 VanDerWaalsContact OG-CA 3.22Å; S258-D278 WeakPolarHBondContact OG-CA 3.47Å; S258-D278 PolarHBondContact OG-N 3.12Å; S258-C315 WeakPolarHBondContact CB-SG 3.41Å; S258-W316 PolarHBondContact OG-NE1 3.03Å; S258-W316 VanDerWaalsContact OG-NE1 3.08Å
259D75.5Confident76.3Confident72 Ų7270 Ų7039%0.38534%0.341SS..  trans-80.2104.6169.1-175.113.5000109.5A261 H267D259-A261 WeakPolarHBondContact OD1-CB 3.39Å; D259-A261 PolarHBondContact OD1-N 3.06Å; D259-H267 IonicContact OD1-CE1 2.79Å; D259-H267 IonicContact OD1-ND1 3.57Å; D259-H267 PolarHBondContact OD1-ND1 3.35Å
260C69.1Low74.8Confident8 Ų870.7 Ų70.75%0.05435%0.345CS..  trans-1041.7-177.2-38.80000112.1S258 Q270 F314 C315S258-C260 PolarHBondContact O-N 3.14Å; S258-C260 PolarHBondContact O-SG 3.43Å; S258-C260 VanDerWaalsContact O-SG 3.39Å; C260-Q270 VanDerWaalsContact CB-CD 3.45Å; C260-Q270 HydrophobicContact CB-CG 4.46Å; C260-Q270 VanDerWaalsContact CB-OE1 3.31Å; C260-Q270 PolarHBondContact SG-NE2 2.95Å; C260-F314 HydrophobicContact CB-CE2 4.2Å; C260-C315 HydrophobicContact CB-CB 3.62Å; C260-C315 WeakPolarHBondContact CB-SG 3.3Å; C260-C315 WeakPolarHBondContact SG-CB 3.36Å; C260-C315 CovalentContact SG-SG 1.99Å; C260-C315 PolarHBondContact SG-SG 2.84Å
261A66.4Low73.3Confident6 Ų672.4 Ų72.45%0.0535%0.351CS..  trans-73.6134.8-168.200000112.9D259 N263 Q266 H267 K321D259-A261 WeakPolarHBondContact OD1-CB 3.39Å; D259-A261 PolarHBondContact OD1-N 3.06Å; A261-N263 WeakPolarHBondContact CB-O 3.48Å; A261-Q266 HydrophobicContact CB-CB 4.49Å; A261-H267 VanDerWaalsContact CB-CA 3.43Å; A261-H267 HydrophobicContact CB-CB 3.48Å; A261-H267 VanDerWaalsContact CB-CB 3.48Å; A261-K321 VanDerWaalsContact O-CD 3.28Å; A261-K321 WeakPolarHBondContact O-CD 3.32Å; A261-K321 PolarHBondContact O-NZ 2.88Å
262F62.1Low71.9Confident118 Ų11874.2 Ų74.252%0.51836%0.355SS..SBendtrans-79.7-24.3171.4-51.7-96.9000112.1Q266 N318 K321F262-Q266 VanDerWaalsContact N-OE1 3.09Å; F262-N318 WeakPolarHBondContact CE1-ND2 3.37Å; F262-K321 PolarHBondContact O-NZ 2.97Å
263N64.8Low70.8Confident80 Ų8077.4 Ų77.443%0.42837%0.373SS..SBendtrans-151.3170.617459.152.1000111A261 Q265 Q266 H267A261-N263 WeakPolarHBondContact CB-O 3.48Å; N263-Q265 VanDerWaalsContact C-N 3.29Å; N263-Q265 PolarHBondContact O-N 2.86Å; N263-Q265 WeakPolarHBondContact OD1-CB 3.4Å; N263-Q265 PolarHBondContact OD1-N 2.97Å; N263-Q266 PolarHBondContact O-N 3.39Å; N263-Q266 WeakPolarHBondContact OD1-CB 3.46Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.08Å; N263-Q266 PolarHBondContact OD1-N 3.24Å; N263-H267 PolarHBondContact O-N 3.25Å
264E64.9Low69.8Low168 Ų16878.8 Ų78.879%0.78538%0.382SS*.Hα-helixtrans-58.1-37.6-178.8-70.6-174.417200113.3Q266 H267 Y268E264-Q266 VanDerWaalsContact C-N 3.33Å; E264-Q266 PolarHBondContact O-N 2.05Å; E264-H267 WeakPolarHBondContact O-CB 3.19Å; E264-H267 PolarHBondContact O-N 3.44Å; E264-H267 VanDerWaalsContact O-N 3.12Å; E264-Y268 WeakPolarHBondContact O-CD2 3.46Å; E264-Y268 PolarHBondContact O-N 3.11Å
265Q63.8Low69.7Low159 Ų15971.5 Ų71.574%0.74335%0.345SS*.Hα-helixtrans-65-39179.7-168.6170.83.400111.6N263 H267 E269N263-Q265 VanDerWaalsContact C-N 3.29Å; N263-Q265 PolarHBondContact O-N 2.86Å; N263-Q265 WeakPolarHBondContact OD1-CB 3.4Å; N263-Q265 PolarHBondContact OD1-N 2.97Å; Q265-H267 VanDerWaalsContact C-N 3.33Å; Q265-E269 PolarHBondContact O-N 3.44Å
266Q64.9Low70Confident82 Ų8265 Ų6538%0.38331%0.311SS..Hα-helixtrans-72.7-24.9173.9-73.5175.8-14.400112.9A261 F262 N263 E264 E269 Q270A261-Q266 HydrophobicContact CB-CB 4.49Å; F262-Q266 VanDerWaalsContact N-OE1 3.09Å; N263-Q266 PolarHBondContact O-N 3.39Å; N263-Q266 WeakPolarHBondContact OD1-CB 3.46Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.08Å; N263-Q266 PolarHBondContact OD1-N 3.24Å; E264-Q266 VanDerWaalsContact C-N 3.33Å; E264-Q266 PolarHBondContact O-N 2.05Å; Q266-E269 PolarHBondContact O-N 3.24Å; Q266-Q270 WeakPolarHBondContact O-CB 3.28Å; Q266-Q270 PolarHBondContact O-N 3.08Å
267H66.1Low70.1Confident65 Ų6565 Ų6530%0.30131%0.31SS..Hα-helixtrans-62.9-44.8175.5-171.783.6000110.9D259 A261 N263 E264 Q265 Q270 L271D259-H267 IonicContact OD1-CE1 2.79Å; D259-H267 IonicContact OD1-ND1 3.57Å; D259-H267 PolarHBondContact OD1-ND1 3.35Å; A261-H267 VanDerWaalsContact CB-CA 3.43Å; A261-H267 HydrophobicContact CB-CB 3.48Å; A261-H267 VanDerWaalsContact CB-CB 3.48Å; N263-H267 PolarHBondContact O-N 3.25Å; E264-H267 WeakPolarHBondContact O-CB 3.19Å; E264-H267 PolarHBondContact O-N 3.44Å; E264-H267 VanDerWaalsContact O-N 3.12Å; Q265-H267 VanDerWaalsContact C-N 3.33Å; H267-Q270 PolarHBondContact O-N 3.47Å; H267-L271 WeakPolarHBondContact O-CG 3.47Å; H267-L271 PolarHBondContact O-N 2.56Å; H267-L271 VanDerWaalsContact O-N 3.11Å
268Y62.4Low70.1Confident161 Ų16164.2 Ų64.263%0.63131%0.306SS*.Hα-helixtrans-65.6-39.7176-78.4-78.4000113.3E264 K272E264-Y268 WeakPolarHBondContact O-CD2 3.46Å; E264-Y268 PolarHBondContact O-N 3.11Å; Y268-K272 WeakPolarHBondContact O-CG 3.34Å
269E61.7Low70.3Confident94 Ų9464 Ų6444%0.43931%0.305SS..Hα-helixtrans-72.5-34177.9-68.5-56.7125.400112.3Q265 Q266 K272 T273Q265-E269 PolarHBondContact O-N 3.44Å; Q266-E269 PolarHBondContact O-N 3.24Å; E269-K272 PolarHBondContact O-N 3.14Å; E269-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 IonicContact OE1-NZ 2.94Å; E269-K272 PolarHBondContact OE1-NZ 3.2Å; E269-T273 PolarHBondContact O-N 2.86Å; E269-T273 PolarHBondContact O-OG1 3.46Å
270Q62.2Low70.6Confident15 Ų1562.3 Ų62.37%0.0730%0.297CS..Hα-helixtrans-61.7-45.3173.9-171.9-154.1-30.800111.2S258 C260 Q266 H267 K272 T273 L274S258-Q270 PolarHBondContact O-NE2 3.49Å; C260-Q270 VanDerWaalsContact CB-CD 3.45Å; C260-Q270 HydrophobicContact CB-CG 4.46Å; C260-Q270 VanDerWaalsContact CB-OE1 3.31Å; C260-Q270 PolarHBondContact SG-NE2 2.95Å; Q266-Q270 WeakPolarHBondContact O-CB 3.28Å; Q266-Q270 PolarHBondContact O-N 3.08Å; H267-Q270 PolarHBondContact O-N 3.47Å; Q270-K272 PolarHBondContact O-N 2.9Å; Q270-T273 PolarHBondContact O-N 3.45Å; Q270-T273 VanDerWaalsContact O-N 3.11Å; Q270-L274 HydrophobicContact CG-CB 4.4Å; Q270-L274 VanDerWaalsContact CG-O 3.32Å; Q270-L274 WeakPolarHBondContact CG-O 3.1Å; Q270-L274 PolarHBondContact NE2-O 3.07Å; Q270-L274 CarbonylContact O-C 3.59Å; Q270-L274 PolarHBondContact O-N 3.46Å
271L59.5Low71.5Confident46 Ų4663.7 Ų63.724%0.24130%0.302CS..Hα-helixtrans-63-11.6176.5-72.8174.5000113.9A247 L257 H267A247-L271 WeakPolarHBondContact CB-O 3.27Å; L257-L271 HydrophobicContact CD1-CD2 4.13Å; H267-L271 WeakPolarHBondContact O-CG 3.47Å; H267-L271 PolarHBondContact O-N 2.56Å; H267-L271 VanDerWaalsContact O-N 3.11Å
272K59.6Low72.6Confident122 Ų12270.5 Ų70.553%0.5333%0.333SS..Hα-helixtrans-99.8-19.3175.3-66.4175.4-169.9165.70113.8Y268 E269 Q270Y268-K272 WeakPolarHBondContact O-CG 3.34Å; E269-K272 PolarHBondContact O-N 3.14Å; E269-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 IonicContact OE1-NZ 2.94Å; E269-K272 PolarHBondContact OE1-NZ 3.2Å; Q270-K272 PolarHBondContact O-N 2.9Å
273T64.8Low74Confident74 Ų7470 Ų7045%0.45433%0.332SS..Hα-helixtrans-137.5-21.3-162.258.20000115.4E269 Q270E269-T273 PolarHBondContact O-N 2.86Å; E269-T273 PolarHBondContact O-OG1 3.46Å; Q270-T273 PolarHBondContact O-N 3.45Å; Q270-T273 VanDerWaalsContact O-N 3.11Å
274L71.9Confident75.4Confident72 Ų7266.4 Ų66.438%0.37731%0.313SS..  trans-151.275.8-172.7-72.5172.5000111.3Q270 P312 F314Q270-L274 HydrophobicContact CG-CB 4.4Å; Q270-L274 VanDerWaalsContact CG-O 3.32Å; Q270-L274 WeakPolarHBondContact CG-O 3.1Å; Q270-L274 PolarHBondContact NE2-O 3.07Å; Q270-L274 CarbonylContact O-C 3.59Å; Q270-L274 PolarHBondContact O-N 3.46Å; L274-P312 HydrophobicContact CD2-CG 4.15Å; L274-F314 HydrophobicContact CD1-CE1 4.16Å; L274-F314 HydrophobicContact CD1-CZ 4.01Å
275G79.5Confident76.8Confident1 Ų159.2 Ų59.21%0.0128%0.279CS..  trans-91121.5176.600000112D192 G244 H245 M246D192-G275 PolarHBondContact OD1-N 2.89Å; G244-G275 CarbonylContact C-O 3.35Å; H245-G275 PolarHBondContact N-O 2.92Å; M246-G275 PolarHBondContact N-O 3.48Å; M246-G275 VanDerWaalsContact N-O 3.1Å
276V88.7Confident78.3Confident1 Ų156.7 Ų56.71%0.00627%0.266CS..  trans-123.9132.5170.5720000110P243 L257 S258 I311 C315 W316P243-V276 HydrophobicContact CB-CG2 4.23Å; P243-V276 VanDerWaalsContact O-CA 3.23Å; P243-V276 WeakPolarHBondContact O-CA 3.22Å; P243-V276 VanDerWaalsContact O-CG2 3.28Å; P243-V276 WeakPolarHBondContact O-CG2 3.32Å; L257-V276 CarbonylContact C-O 3.56Å; L257-V276 WeakPolarHBondContact CA-O 3.5Å; S258-V276 PolarHBondContact N-O 3.41Å; V276-I311 HydrophobicContact CG2-CG2 4.42Å; V276-C315 HydrophobicContact CG1-CB 3.69Å; V276-W316 HydrophobicContact CG2-CH2 3.7Å; V276-W316 HydrophobicContact CG2-CZ2 3.29Å
277I91.3Very high79.7Confident0 Ų054 Ų540%025%0.254CS..BIsolated β-bridgetrans-59151.9178.4-161.5168.8000111.5P243 M246 L256 S258 P279 N284 L288 W316P243-I277 HydrophobicContact CB-CG2 3.52Å; P243-I277 PolarHBondContact O-N 2.87Å; M246-I277 HydrophobicContact CE-CD1 4.35Å; M246-I277 HydrophobicContact SD-CB 3.71Å; M246-I277 HydrophobicContact SD-CD1 4.34Å; M246-I277 HydrophobicContact SD-CG1 4.47Å; M246-I277 HydrophobicContact SD-CG2 4.29Å; L256-I277 HydrophobicContact CD1-CD1 3.91Å; L256-I277 HydrophobicContact CD1-CG1 4.05Å; L256-I277 HydrophobicContact CG-CD1 4.5Å; L256-I277 HydrophobicContact CG-CG1 4.26Å; L256-I277 WeakPolarHBondContact O-CG1 3.41Å; S258-I277 PolarHBondContact OG-O 2.99Å; I277-P279 WeakPolarHBondContact O-CD 3.24Å; I277-N284 HydrophobicContact CD1-CB 4.03Å; I277-N284 HydrophobicContact CG1-CB 4.27Å; I277-L288 HydrophobicContact CD1-CD1 3.55Å; I277-L288 HydrophobicContact CD1-CD2 4.34Å; I277-L288 HydrophobicContact CD1-CG 4.04Å; I277-W316 WeakPolarHBondContact O-CZ2 3.26Å; I277-W316 PolarHBondContact O-NE1 3.41Å
278D88.3Confident81Confident0 Ų051 Ų510%024%0.24CC..  trans-82.4105.7165.6-177.8-10.7000109.9L256 S258 T280 K281 N284 Q324L256-D278 PolarHBondContact O-N 3.4Å; S258-D278 VanDerWaalsContact OG-CA 3.22Å; S258-D278 WeakPolarHBondContact OG-CA 3.47Å; S258-D278 PolarHBondContact OG-N 3.12Å; D278-T280 PolarHBondContact O-N 3.14Å; D278-T280 WeakPolarHBondContact OD1-CB 3.49Å; D278-T280 PolarHBondContact OD1-N 3.21Å; D278-T280 PolarHBondContact OD1-OG1 3Å; D278-K281 HydrophobicContact CB-CD 4.17Å; D278-K281 HydrophobicContact CB-CG 4.47Å; D278-K281 WeakPolarHBondContact OD2-CD 3.29Å; D278-K281 WeakPolarHBondContact OD2-CE 3.45Å; D278-K281 WeakPolarHBondContact OD2-CG 3.44Å; D278-K281 IonicContact OD2-NZ 3.82Å; D278-K281 PolarHBondContact OD2-NZ 3.16Å; D278-N284 PolarHBondContact O-ND2 3.15Å; D278-Q324 PolarHBondContact OD2-OE1 2.95Å
279P88.8Confident82.6Confident0 Ų043.3 Ų43.30%021%0.21CC..THydrogen-bonded Turntrans-75-6.5-175.433.4-37.2000112.6I277 Y285 W316 L336 F339 H340I277-P279 WeakPolarHBondContact O-CD 3.24Å; P279-Y285 WeakPolarHBondContact CA-OH 3.26Å; P279-Y285 WeakPolarHBondContact CB-OH 3.35Å; P279-Y285 WeakPolarHBondContact O-CE2 3.23Å; P279-Y285 PolarHBondContact O-OH 2.72Å; P279-W316 HydrophobicContact CG-CZ2 3.93Å; P279-L336 HydrophobicContact CG-CB 4.11Å; P279-L336 HydrophobicContact CG-CD2 4.17Å; P279-F339 VanDerWaalsContact O-CD1 3.32Å; P279-F339 WeakPolarHBondContact O-CD1 3.4Å; P279-F339 WeakPolarHBondContact O-CE1 3.39Å; P279-H340 HydrophobicContact CB-CB 4.19Å
280T82.7Confident84.1Confident37 Ų3744.2 Ų44.223%0.22721%0.213CC..THydrogen-bonded Turntrans-88.1-14.7-176.469.10000114D278 Q324 L325 A328 L336D278-T280 PolarHBondContact O-N 3.14Å; D278-T280 WeakPolarHBondContact OD1-CB 3.49Å; D278-T280 PolarHBondContact OD1-N 3.21Å; D278-T280 PolarHBondContact OD1-OG1 3Å; T280-Q324 VanDerWaalsContact OG1-CB 3.25Å; T280-Q324 WeakPolarHBondContact OG1-CB 3.26Å; T280-L325 HydrophobicContact CG2-CD2 3.23Å; T280-L325 HydrophobicContact CG2-CG 3.77Å; T280-A328 HydrophobicContact CG2-CB 4.22Å; T280-L336 HydrophobicContact CG2-CD2 4.37Å
281K87.3Confident85.7Confident36 Ų3643.5 Ų43.516%0.15721%0.209CC..  trans-91113.1-177.8-69.2175.5-178.7130.30110.2L255 D278 E283 N284 Q324L255-K281 PolarHBondContact O-NZ 3.37Å; D278-K281 HydrophobicContact CB-CD 4.17Å; D278-K281 HydrophobicContact CB-CG 4.47Å; D278-K281 WeakPolarHBondContact OD2-CD 3.29Å; D278-K281 WeakPolarHBondContact OD2-CE 3.45Å; D278-K281 WeakPolarHBondContact OD2-CG 3.44Å; D278-K281 IonicContact OD2-NZ 3.82Å; D278-K281 PolarHBondContact OD2-NZ 3.16Å; K281-E283 PolarHBondContact O-N 3.25Å; K281-N284 HydrophobicContact CB-CB 4.28Å; K281-N284 VanDerWaalsContact O-CB 3.32Å; K281-N284 WeakPolarHBondContact O-CB 3.31Å; K281-N284 PolarHBondContact O-N 3.34Å; K281-Q324 HydrophobicContact CG-CG 4.48Å
282E90Very high87.4Confident150 Ų15041.3 Ų41.370%0.70120%0.198SC*.Hα-helixtrans-56.8-35174.3-169.1-176.3159.400112.4N284 Y285 K286E282-N284 PolarHBondContact O-N 2.98Å; E282-Y285 PolarHBondContact O-N 3.39Å; E282-K286 PolarHBondContact O-N 3.49Å
283E91.9Very high89.1Confident106 Ų10638.2 Ų38.250%0.49519%0.185SC..Hα-helixtrans-59-33.7177.7-166.662-155.100112.7K281 Y285 K286 I287K281-E283 PolarHBondContact O-N 3.25Å; E283-Y285 VanDerWaalsContact C-N 3.25Å; E283-Y285 PolarHBondContact O-N 3.32Å; E283-K286 WeakPolarHBondContact O-CB 3.35Å; E283-K286 PolarHBondContact O-N 3.01Å; E283-K286 WeakPolarHBondContact OE2-CD 3.2Å; E283-K286 WeakPolarHBondContact OE2-CE 3.46Å; E283-K286 IonicContact OE2-NZ 2.76Å; E283-K286 PolarHBondContact OE2-NZ 3.33Å; E283-I287 PolarHBondContact O-N 3.44Å; E283-I287 VanDerWaalsContact O-N 3.12Å
284N94Very high90.6Very high6 Ų635.6 Ų35.63%0.03217%0.168CC..Hα-helixtrans-61.1-37.5177.3-72.4-1.5000111.2L256 I277 D278 K281 E282 K286 I287 L288L256-N284 HydrophobicContact CD1-CB 3.97Å; L256-N284 PolarHBondContact O-ND2 3.34Å; I277-N284 HydrophobicContact CD1-CB 4.03Å; I277-N284 HydrophobicContact CG1-CB 4.27Å; D278-N284 PolarHBondContact O-ND2 3.15Å; K281-N284 HydrophobicContact CB-CB 4.28Å; K281-N284 VanDerWaalsContact O-CB 3.32Å; K281-N284 WeakPolarHBondContact O-CB 3.31Å; K281-N284 PolarHBondContact O-N 3.34Å; E282-N284 PolarHBondContact O-N 2.98Å; N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 2.92Å; N284-I287 WeakPolarHBondContact O-CB 3.32Å; N284-I287 PolarHBondContact O-N 2.94Å; N284-L288 WeakPolarHBondContact O-CG 3.24Å; N284-L288 PolarHBondContact O-N 3.46Å
285Y94.4Very high91.7Very high16 Ų1632.2 Ų32.26%0.06315%0.15CC..Hα-helixtrans-75-19.4177.2-60.1-71.3000113.5P279 E282 E283 L288 G289 H340 N343 S347P279-Y285 WeakPolarHBondContact CA-OH 3.26Å; P279-Y285 WeakPolarHBondContact CB-OH 3.35Å; P279-Y285 WeakPolarHBondContact O-CE2 3.23Å; P279-Y285 PolarHBondContact O-OH 2.72Å; E282-Y285 PolarHBondContact O-N 3.39Å; E283-Y285 VanDerWaalsContact C-N 3.25Å; E283-Y285 PolarHBondContact O-N 3.32Å; Y285-L288 HydrophobicContact CD1-CD1 4.27Å; Y285-L288 HydrophobicContact CE1-CD1 4.43Å; Y285-G289 PolarHBondContact O-N 3.23Å; Y285-H340 AromaticContact CE1-ND1 3.6Å; Y285-H340 AromaticContact CZ-ND1 3.94Å; Y285-H340 VanDerWaalsContact OH-CA 3.3Å; Y285-H340 WeakPolarHBondContact OH-CA 3.17Å; Y285-H340 PolarHBondContact OH-ND1 2.8Å; Y285-N343 HydrophobicContact CD1-CB 3.52Å; Y285-N343 HydrophobicContact CD2-CB 3.78Å; Y285-N343 HydrophobicContact CE1-CB 3.45Å; Y285-N343 VanDerWaalsContact CE1-CB 3.45Å; Y285-N343 HydrophobicContact CE2-CB 3.69Å; Y285-N343 VanDerWaalsContact CE2-ND2 3.33Å; Y285-N343 WeakPolarHBondContact CE2-ND2 3.22Å; Y285-N343 HydrophobicContact CG-CB 3.7Å; Y285-S347 VanDerWaalsContact O-CB 3.25Å; Y285-S347 WeakPolarHBondContact O-CB 3.28Å; Y285-S347 PolarHBondContact O-OG 2.91Å
286K93.4Very high92.5Very high107 Ų10732.4 Ų32.447%0.46515%0.151SC..Hα-helixtrans-72.4-39.6167.6-59.1-175.5-164153.70111.3E282 E283 N284 K290E282-K286 PolarHBondContact O-N 3.49Å; E283-K286 WeakPolarHBondContact O-CB 3.35Å; E283-K286 PolarHBondContact O-N 3.01Å; E283-K286 WeakPolarHBondContact OE2-CD 3.2Å; E283-K286 WeakPolarHBondContact OE2-CE 3.46Å; E283-K286 IonicContact OE2-NZ 2.76Å; E283-K286 PolarHBondContact OE2-NZ 3.33Å; N284-K286 VanDerWaalsContact C-N 3.31Å; N284-K286 PolarHBondContact O-N 2.92Å; K286-K290 WeakPolarHBondContact O-CG 3.09Å; K286-K290 PolarHBondContact O-N 2.92Å; K286-K290 VanDerWaalsContact O-N 3.13Å
287I94.3Very high92.8Very high26 Ų2636.1 Ų36.113%0.13317%0.174CC..Hα-helixtrans-63.3-51.6173.6-62.8171.3000109.6L202 K253 L256 E283 N284 G289 K290 I291L202-I287 HydrophobicContact CD1-CG2 3.81Å; K253-I287 HydrophobicContact CB-CD1 4.48Å; K253-I287 HydrophobicContact CG-CG2 4.22Å; L256-I287 HydrophobicContact CD1-CD1 4.29Å; E283-I287 PolarHBondContact O-N 3.44Å; E283-I287 VanDerWaalsContact O-N 3.12Å; N284-I287 WeakPolarHBondContact O-CB 3.32Å; N284-I287 PolarHBondContact O-N 2.94Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3Å; I287-K290 PolarHBondContact O-N 2.94Å; I287-I291 PolarHBondContact O-N 3.34Å; I287-I291 VanDerWaalsContact O-N 3.17Å
288L95.2Very high93Very high0 Ų037.6 Ų37.60%018%0.179CC..Hα-helixtrans-59.9-41.6176.8-66-171.7000112.1M246 W249 I277 N284 Y285 K290 I291 F292 L344M246-L288 HydrophobicContact CE-CD2 4.16Å; W249-L288 HydrophobicContact CE3-CD2 4.33Å; W249-L288 HydrophobicContact CH2-CD2 4.36Å; W249-L288 HydrophobicContact CZ3-CD2 3.67Å; I277-L288 HydrophobicContact CD1-CD1 3.55Å; I277-L288 HydrophobicContact CD1-CD2 4.34Å; I277-L288 HydrophobicContact CD1-CG 4.04Å; N284-L288 WeakPolarHBondContact O-CG 3.24Å; N284-L288 PolarHBondContact O-N 3.46Å; Y285-L288 HydrophobicContact CD1-CD1 4.27Å; Y285-L288 HydrophobicContact CE1-CD1 4.43Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.71Å; L288-I291 HydrophobicContact CD2-CG2 4.39Å; L288-I291 WeakPolarHBondContact O-CG2 3.43Å; L288-I291 PolarHBondContact O-N 3.2Å; L288-F292 HydrophobicContact CB-CD2 4.32Å; L288-F292 HydrophobicContact CD2-CE2 4.49Å; L288-F292 WeakPolarHBondContact O-CB 3.43Å; L288-F292 WeakPolarHBondContact O-CD2 3.46Å; L288-F292 PolarHBondContact O-N 3.16Å; L288-L344 HydrophobicContact CB-CD1 4.04Å; L288-L344 HydrophobicContact CD1-CD1 3.9Å
289G94.7Very high93.5Very high1 Ų137.7 Ų37.71%0.0118%0.18CC..Hα-helixtrans-56.3-47.2175.700000112.3Y285 I287 F292 E293Y285-G289 PolarHBondContact O-N 3.23Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3Å; G289-F292 PolarHBondContact O-N 3.09Å; G289-E293 WeakPolarHBondContact O-CB 3.42Å; G289-E293 WeakPolarHBondContact O-CG 3.33Å; G289-E293 PolarHBondContact O-N 2.86Å
290K94.4Very high93.8Very high113 Ų11342.2 Ų42.249%0.49120%0.199SC..Hα-helixtrans-61.5-47.1178.9-74.1179.2177.4-1750112.9L202 K286 I287 L288 E294L202-K290 HydrophobicContact CD1-CB 4.3Å; L202-K290 HydrophobicContact CD2-CD 4.3Å; K286-K290 WeakPolarHBondContact O-CG 3.09Å; K286-K290 PolarHBondContact O-N 2.92Å; K286-K290 VanDerWaalsContact O-N 3.13Å; I287-K290 PolarHBondContact O-N 2.94Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 2.71Å; K290-E294 PolarHBondContact O-N 3.4Å; K290-E294 VanDerWaalsContact O-N 3.14Å
291I95Very high94.5Very high0 Ų040.9 Ų40.90%019%0.191CC..Hα-helixtrans-64.8-44179.9-174.867.2000110.9F195 F197 L202 L205 F240 W249 I287 L288 E294 V295F195-I291 HydrophobicContact CZ-CD1 4.37Å; F197-I291 HydrophobicContact CD1-CD1 3.95Å; F197-I291 HydrophobicContact CE1-CD1 3.64Å; L202-I291 HydrophobicContact CD1-CB 4.35Å; L205-I291 HydrophobicContact CD1-CD1 4.33Å; F240-I291 HydrophobicContact CD1-CG1 4.48Å; F240-I291 HydrophobicContact CE1-CD1 4.5Å; F240-I291 HydrophobicContact CE1-CG1 4.36Å; W249-I291 HydrophobicContact CZ3-CG2 4.16Å; I287-I291 PolarHBondContact O-N 3.34Å; I287-I291 VanDerWaalsContact O-N 3.17Å; L288-I291 HydrophobicContact CD2-CG2 4.39Å; L288-I291 WeakPolarHBondContact O-CG2 3.43Å; L288-I291 PolarHBondContact O-N 3.2Å; I291-E294 WeakPolarHBondContact O-CB 3.12Å; I291-E294 PolarHBondContact O-N 3.08Å; I291-V295 HydrophobicContact CG1-CG2 4.4Å; I291-V295 VanDerWaalsContact O-CG2 3.27Å; I291-V295 WeakPolarHBondContact O-CG2 3.43Å; I291-V295 PolarHBondContact O-N 2.78Å
292F95.7Very high94.9Very high0 Ų042.4 Ų42.40%020%0.2CC..Hα-helixtrans-73.6-28.8-178.6-78.8-68.8000113.5F240 L288 G289 E294 L296 L304 L306 L344 I348F240-F292 HydrophobicContact CB-CE1 3.77Å; F240-F292 HydrophobicContact CB-CZ 3.72Å; F240-F292 HydrophobicContact CG-CE1 4.43Å; L288-F292 HydrophobicContact CB-CD2 4.32Å; L288-F292 HydrophobicContact CD2-CE2 4.49Å; L288-F292 WeakPolarHBondContact O-CB 3.43Å; L288-F292 WeakPolarHBondContact O-CD2 3.46Å; L288-F292 PolarHBondContact O-N 3.16Å; G289-F292 PolarHBondContact O-N 3.09Å; F292-E294 VanDerWaalsContact C-N 3.33Å; F292-L296 WeakPolarHBondContact O-CB 3.33Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 2.93Å; F292-L304 HydrophobicContact CD1-CD1 4.2Å; F292-L304 HydrophobicContact CD1-CD2 3.68Å; F292-L304 HydrophobicContact CD1-CG 4.38Å; F292-L304 HydrophobicContact CE1-CD1 4.12Å; F292-L304 HydrophobicContact CE1-CD2 4.07Å; F292-L304 HydrophobicContact CE1-CG 4.34Å; F292-L306 HydrophobicContact CD1-CD2 4.16Å; F292-L306 HydrophobicContact CE1-CD2 3.47Å; F292-L306 VanDerWaalsContact CE1-CD2 3.47Å; F292-L306 HydrophobicContact CZ-CD2 3.72Å; F292-L344 HydrophobicContact CD2-CD1 3.69Å; F292-L344 HydrophobicContact CE2-CD1 3.56Å; F292-L344 HydrophobicContact CZ-CD1 4.47Å; F292-I348 HydrophobicContact CB-CD1 3.75Å; F292-I348 HydrophobicContact CB-CG1 3.6Å; F292-I348 HydrophobicContact CB-CG2 4.38Å; F292-I348 HydrophobicContact CD1-CD1 4.11Å; F292-I348 HydrophobicContact CD2-CD1 3.82Å; F292-I348 HydrophobicContact CD2-CG1 4.23Å; F292-I348 HydrophobicContact CE2-CD1 4.48Å; F292-I348 HydrophobicContact CG-CD1 3.63Å; F292-I348 HydrophobicContact CG-CG1 4.02Å
293E94.6Very high95.2Very high56 Ų5636.1 Ų36.126%0.26217%0.171SC..Hα-helixtrans-60.1-44.5166.8-76.7166.2-13500111.1G289 T297 K351 V352G289-E293 WeakPolarHBondContact O-CB 3.42Å; G289-E293 WeakPolarHBondContact O-CG 3.33Å; G289-E293 PolarHBondContact O-N 2.86Å; E293-T297 WeakPolarHBondContact O-CB 3.29Å; E293-T297 PolarHBondContact O-N 3.1Å; E293-T297 VanDerWaalsContact O-N 3.13Å; E293-T297 PolarHBondContact O-OG1 2.91Å; E293-K351 HydrophobicContact CG-CB 4Å; E293-K351 HydrophobicContact CG-CD 3.82Å; E293-K351 WeakPolarHBondContact OE1-CD 3.05Å; E293-K351 WeakPolarHBondContact OE1-CE 3.4Å; E293-K351 IonicContact OE1-NZ 2.65Å; E293-K351 PolarHBondContact OE1-NZ 2.86Å; E293-V352 HydrophobicContact CB-CG2 4.15Å; E293-V352 HydrophobicContact CG-CG2 4.22Å
294E95.5Very high95.5Very high20 Ų2031.1 Ų31.19%0.09315%0.147CC..Hα-helixtrans-65.5-45.3177-164.5-175.9120.300111.6S199 E200 A201 K290 I291 F292 L296 T297 R298S199-E294 WeakPolarHBondContact CA-OE1 3.44Å; S199-E294 PolarHBondContact OG-OE1 2.8Å; S199-E294 PolarHBondContact OG-OE2 3.11Å; E200-E294 PolarHBondContact N-OE1 3.29Å; E200-E294 VanDerWaalsContact N-OE1 3.11Å; E200-E294 PolarHBondContact N-OE2 2.85Å; E200-E294 VanDerWaalsContact N-OE2 3.15Å; A201-E294 VanDerWaalsContact CB-OE2 3.31Å; A201-E294 WeakPolarHBondContact CB-OE2 3.44Å; A201-E294 PolarHBondContact N-OE2 3.26Å; K290-E294 PolarHBondContact O-N 3.4Å; K290-E294 VanDerWaalsContact O-N 3.14Å; I291-E294 WeakPolarHBondContact O-CB 3.12Å; I291-E294 PolarHBondContact O-N 3.08Å; F292-E294 VanDerWaalsContact C-N 3.33Å; E294-L296 PolarHBondContact O-N 2.91Å; E294-T297 WeakPolarHBondContact O-CB 3.5Å; E294-T297 PolarHBondContact O-N 3.31Å; E294-T297 VanDerWaalsContact O-N 3.14Å; E294-R298 WeakPolarHBondContact O-CG 3.18Å; E294-R298 PolarHBondContact O-N 2.98Å; E294-R298 IonicContact OE1-CZ 3.72Å; E294-R298 IonicContact OE1-NE 3.89Å; E294-R298 PolarHBondContact OE1-NE 3.14Å; E294-R298 IonicContact OE1-NH1 2.87Å; E294-R298 PolarHBondContact OE1-NH1 3.42Å; E294-R298 IonicContact OE1-NH2 3.86Å; E294-R298 PolarHBondContact OE1-NH2 3.47Å
295V96.7Very high95.7Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-59.5-47.4176.51710000111.1F197 P238 F240 I291 T297 R298 F299 L304F197-V295 HydrophobicContact CE1-CG2 4.47Å; F197-V295 HydrophobicContact CZ-CG2 4.38Å; P238-V295 HydrophobicContact CB-CG1 4.19Å; P238-V295 HydrophobicContact CG-CG1 3.79Å; F240-V295 HydrophobicContact CD2-CG1 4.19Å; F240-V295 HydrophobicContact CD2-CG2 3.89Å; F240-V295 HydrophobicContact CE1-CG2 4.23Å; F240-V295 HydrophobicContact CE2-CB 4.32Å; F240-V295 HydrophobicContact CE2-CG1 3.93Å; F240-V295 HydrophobicContact CE2-CG2 3.35Å; F240-V295 HydrophobicContact CZ-CG2 3.54Å; I291-V295 HydrophobicContact CG1-CG2 4.4Å; I291-V295 VanDerWaalsContact O-CG2 3.27Å; I291-V295 WeakPolarHBondContact O-CG2 3.43Å; I291-V295 PolarHBondContact O-N 2.78Å; V295-T297 PolarHBondContact O-N 3.41Å; V295-R298 PolarHBondContact O-N 2.84Å; V295-F299 HydrophobicContact CB-CD2 4.47Å; V295-F299 HydrophobicContact CG1-CD2 3.8Å; V295-F299 HydrophobicContact CG1-CE2 4.35Å; V295-F299 WeakPolarHBondContact O-CB 3.26Å; V295-F299 WeakPolarHBondContact O-CD2 2.96Å; V295-F299 PolarHBondContact O-N 2.96Å; V295-L304 HydrophobicContact CG1-CD1 3.76Å
296L95.8Very high95.9Very high6 Ų630.2 Ų30.23%0.03114%0.143CC..Hα-helixtrans-66.7-21.9178.4-74.2177.6000113.6F292 E294 L304 I348 V352 R353 F355F292-L296 WeakPolarHBondContact O-CB 3.33Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 2.93Å; E294-L296 PolarHBondContact O-N 2.91Å; L296-L304 HydrophobicContact CD2-CD2 3.98Å; L296-L304 HydrophobicContact CG-CD2 4.26Å; L296-I348 HydrophobicContact CD1-CG2 3.46Å; L296-I348 VanDerWaalsContact CD1-CG2 3.46Å; L296-V352 HydrophobicContact CB-CB 4.19Å; L296-V352 HydrophobicContact CB-CG1 4.19Å; L296-V352 HydrophobicContact CB-CG2 4.5Å; L296-R353 PolarHBondContact O-NE 2.91Å; L296-F355 HydrophobicContact CD1-CD1 3.94Å; L296-F355 HydrophobicContact CD1-CE1 4.4Å; L296-F355 HydrophobicContact CD1-CG 4.45Å; L296-F355 HydrophobicContact CD2-CB 3.86Å; L296-F355 HydrophobicContact CD2-CD1 4.47Å; L296-F355 HydrophobicContact CD2-CG 4.18Å
297T95.1Very high96.1Very high79 Ų7925.1 Ų25.149%0.48512%0.121SC..Hα-helixtrans-79.9-44.4174.6-59.30000111.2E293 E294 V295 K300E293-T297 WeakPolarHBondContact O-CB 3.29Å; E293-T297 PolarHBondContact O-N 3.1Å; E293-T297 VanDerWaalsContact O-N 3.13Å; E293-T297 PolarHBondContact O-OG1 2.91Å; E294-T297 WeakPolarHBondContact O-CB 3.5Å; E294-T297 PolarHBondContact O-N 3.31Å; E294-T297 VanDerWaalsContact O-N 3.14Å; V295-T297 PolarHBondContact O-N 3.41Å; T297-K300 PolarHBondContact O-NZ 2.9Å
298R96.1Very high96.2Very high31 Ų3123.9 Ų23.912%0.11712%0.115CC..Hα-helixtrans-76.9-50.8-177.7-68.5-178.3-179.6-178.73.6112.2E198 E200 E294 V295 K300E198-R298 PolarHBondContact O-NH1 3.48Å; E200-R298 IonicContact OE1-NH2 2.95Å; E200-R298 IonicContact OE2-CZ 2.98Å; E200-R298 IonicContact OE2-NE 3.07Å; E200-R298 IonicContact OE2-NH2 3.43Å; E200-R298 PolarHBondContact OE2-NH2 3.07Å; E294-R298 WeakPolarHBondContact O-CG 3.18Å; E294-R298 PolarHBondContact O-N 2.98Å; E294-R298 IonicContact OE1-CZ 3.72Å; E294-R298 IonicContact OE1-NE 3.89Å; E294-R298 PolarHBondContact OE1-NE 3.14Å; E294-R298 IonicContact OE1-NH1 2.87Å; E294-R298 PolarHBondContact OE1-NH1 3.42Å; E294-R298 IonicContact OE1-NH2 3.86Å; E294-R298 PolarHBondContact OE1-NH2 3.47Å; V295-R298 PolarHBondContact O-N 2.84Å; R298-K300 WeakPolarHBondContact O-CE 3.38Å; R298-K300 PolarHBondContact O-NZ 2.87Å
299F97.5Very high96.2Very high2 Ų224.2 Ų24.21%0.00912%0.116CC..  trans-81.7135-179.9-68-95.5000111.6W187 F197 V222 I226 V236 P238 V295 R353W187-F299 AromaticContact CE3-CE1 3.98Å; W187-F299 HydrophobicContact CE3-CE1 3.98Å; W187-F299 HydrophobicContact CE3-CZ 4.24Å; W187-F299 HydrophobicContact CZ3-CE1 4.34Å; W187-F299 HydrophobicContact CZ3-CZ 4.38Å; F197-F299 HydrophobicContact CE2-CE2 4.07Å; V222-F299 HydrophobicContact CG1-CE1 4.16Å; V222-F299 HydrophobicContact CG1-CE2 3.9Å; V222-F299 HydrophobicContact CG1-CZ 3.66Å; I226-F299 HydrophobicContact CD1-CD1 3.82Å; I226-F299 HydrophobicContact CD1-CE1 4.18Å; I226-F299 HydrophobicContact CD1-CG 4.16Å; I226-F299 HydrophobicContact CG1-CD1 4.31Å; V236-F299 HydrophobicContact CG1-CD1 3.9Å; V236-F299 HydrophobicContact CG1-CE1 3.75Å; P238-F299 HydrophobicContact CB-CD1 3.76Å; P238-F299 HydrophobicContact CB-CD2 4.01Å; P238-F299 HydrophobicContact CB-CE1 3.74Å; P238-F299 HydrophobicContact CB-CE2 3.99Å; P238-F299 HydrophobicContact CB-CG 3.89Å; P238-F299 HydrophobicContact CB-CZ 3.86Å; P238-F299 HydrophobicContact CG-CB 3.8Å; P238-F299 HydrophobicContact CG-CD1 3.71Å; P238-F299 HydrophobicContact CG-CD2 3.93Å; P238-F299 HydrophobicContact CG-CE1 4.23Å; P238-F299 HydrophobicContact CG-CE2 4.42Å; P238-F299 HydrophobicContact CG-CG 3.53Å; V295-F299 HydrophobicContact CB-CD2 4.47Å; V295-F299 HydrophobicContact CG1-CD2 3.8Å; V295-F299 HydrophobicContact CG1-CE2 4.35Å; V295-F299 WeakPolarHBondContact O-CB 3.26Å; V295-F299 WeakPolarHBondContact O-CD2 2.96Å; V295-F299 PolarHBondContact O-N 2.96Å; F299-R353 PolarHBondContact O-NH2 3.2Å
300K96.3Very high96.1Very high95 Ų9529.6 Ų29.641%0.41314%0.142SC..  trans-97.4-13.7-169-50.7-58179.4-163.70113.7Y91 I226 T297 R298Y91-K300 HydrophobicContact CD1-CB 3.93Å; Y91-K300 HydrophobicContact CD1-CG 4.09Å; Y91-K300 HydrophobicContact CD2-CB 3.96Å; Y91-K300 HydrophobicContact CD2-CG 4.13Å; Y91-K300 HydrophobicContact CE1-CB 4.11Å; Y91-K300 HydrophobicContact CE1-CG 3.72Å; Y91-K300 HydrophobicContact CE2-CB 4.11Å; Y91-K300 HydrophobicContact CE2-CD 4.15Å; Y91-K300 HydrophobicContact CE2-CG 3.74Å; Y91-K300 HydrophobicContact CG-CB 3.89Å; Y91-K300 HydrophobicContact CG-CG 4.31Å; I226-K300 HydrophobicContact CG2-CG 4.01Å; T297-K300 PolarHBondContact O-NZ 2.9Å; R298-K300 WeakPolarHBondContact O-CE 3.38Å; R298-K300 PolarHBondContact O-NZ 2.87Å
301D97.5Very high95.8Very high8 Ų825.2 Ų25.24%0.04312%0.123CC..  trans-73.2146.9-178.7-161.4-96.5000112.5R235 V236 V237 Y303 R353R235-D301 WeakPolarHBondContact CB-OD2 3.36Å; R235-D301 WeakPolarHBondContact CG-OD2 3.46Å; R235-D301 IonicContact CZ-OD1 3.75Å; R235-D301 IonicContact CZ-OD2 3.14Å; R235-D301 IonicContact NE-OD1 3.89Å; R235-D301 IonicContact NE-OD2 3.26Å; R235-D301 PolarHBondContact NE-OD2 2.88Å; R235-D301 IonicContact NH2-OD1 3.43Å; R235-D301 PolarHBondContact NH2-OD1 2.9Å; R235-D301 IonicContact NH2-OD2 3.57Å; R235-D301 PolarHBondContact NH2-OD2 3.43Å; V236-D301 VanDerWaalsContact O-CB 3.31Å; V236-D301 WeakPolarHBondContact O-CB 3.2Å; V237-D301 HydrophobicContact CG2-CB 4.29Å; D301-Y303 PolarHBondContact O-N 2.84Å; D301-Y303 VanDerWaalsContact OD1-CB 3.28Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.45Å; D301-Y303 PolarHBondContact OD1-N 2.79Å; D301-R353 VanDerWaalsContact O-CZ 3.26Å; D301-R353 PolarHBondContact O-NH1 3.24Å; D301-R353 PolarHBondContact O-NH2 2.86Å
302N94.6Very high95.3Very high68 Ų6826 Ų2636%0.36413%0.128SC..SBendtrans-69.8-24.2177.1-171.941.2000112.7D354 F355 T356N302-D354 PolarHBondContact OD1-O 2.91Å; N302-F355 CarbonylContact O-C 3.59Å; N302-F355 WeakPolarHBondContact O-CA 3.14Å; N302-F355 WeakPolarHBondContact OD1-CA 3.3Å; N302-T356 PolarHBondContact ND2-OG1 2.91Å; N302-T356 PolarHBondContact O-N 2.99Å
303Y97.6Very high94.6Very high19 Ų1928 Ų288%0.07514%0.138CC..EExtended strand (participates in β ladder)trans-85.3140.2178-71.29.1000110.2V94 H153 D301 T356 V358 V375 I438V94-Y303 HydrophobicContact CG2-CD1 3.94Å; V94-Y303 HydrophobicContact CG2-CE1 3.56Å; V94-Y303 HydrophobicContact CG2-CE2 4.33Å; H153-Y303 AromaticContact ND1-CE2 3.89Å; D301-Y303 PolarHBondContact O-N 2.84Å; D301-Y303 VanDerWaalsContact OD1-CB 3.28Å; D301-Y303 WeakPolarHBondContact OD1-CB 3.45Å; D301-Y303 PolarHBondContact OD1-N 2.79Å; Y303-T356 WeakPolarHBondContact CA-O 3.29Å; Y303-T356 HydrophobicContact CD1-CG2 4.02Å; Y303-T356 HydrophobicContact CE1-CG2 3.73Å; Y303-V358 HydrophobicContact CD2-CG2 3.67Å; Y303-V358 HydrophobicContact CE2-CG2 4.39Å; Y303-V358 HydrophobicContact CG-CG2 3.82Å; Y303-V375 HydrophobicContact CE1-CG2 4.41Å; Y303-V375 HydrophobicContact CE2-CG2 4.12Å; Y303-I438 HydrophobicContact CE2-CD1 4.23Å
304L97.3Very high93.7Very high1 Ų129.7 Ų29.71%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-133.2115.4172.1172.562000106.5P238 F292 V295 L296 L306 F355 T356 V358P238-L304 HydrophobicContact CG-CD1 3.85Å; F292-L304 HydrophobicContact CD1-CD1 4.2Å; F292-L304 HydrophobicContact CD1-CD2 3.68Å; F292-L304 HydrophobicContact CD1-CG 4.38Å; F292-L304 HydrophobicContact CE1-CD1 4.12Å; F292-L304 HydrophobicContact CE1-CD2 4.07Å; F292-L304 HydrophobicContact CE1-CG 4.34Å; V295-L304 HydrophobicContact CG1-CD1 3.76Å; L296-L304 HydrophobicContact CD2-CD2 3.98Å; L296-L304 HydrophobicContact CG-CD2 4.26Å; L304-L306 HydrophobicContact CD2-CD2 3.79Å; L304-L306 HydrophobicContact CG-CD2 3.77Å; L304-L306 HydrophobicContact CG-CG 4.41Å; L304-L306 PolarHBondContact O-N 3.24Å; L304-F355 HydrophobicContact CB-CD2 3.88Å; L304-F355 HydrophobicContact CB-CE2 4.44Å; L304-F355 HydrophobicContact CD2-CD2 4.06Å; L304-F355 HydrophobicContact CD2-CE2 4.04Å; L304-T356 PolarHBondContact N-O 2.86Å; L304-T356 VanDerWaalsContact N-O 3.15Å; L304-V358 PolarHBondContact O-N 2.97Å
305H98.5Very high92.5Very high2 Ų228.8 Ų28.81%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-80.8120.1177.6-155.7-73.5000108.4H186 V237 P238 E239 F240 G307 V358 W360 Q377H186-H305 AromaticContact CE1-CD2 3.45Å; H186-H305 PolarHBondContact CE1-CD2 2.81Å; H186-H305 VanDerWaalsContact CE1-CD2 3.45Å; H186-H305 AromaticContact CE1-CG 3.8Å; H186-H305 AromaticContact CE1-NE2 3.89Å; H186-H305 AromaticContact NE2-CD2 3.72Å; H186-H305 AromaticContact NE2-CG 3.6Å; V237-H305 HydrophobicContact CG1-CB 4.5Å; P238-H305 PolarHBondContact O-N 3.41Å; E239-H305 WeakPolarHBondContact CA-O 3.36Å; E239-H305 HydrophobicContact CB-CB 3.73Å; E239-H305 HydrophobicContact CG-CB 4Å; E239-H305 IonicContact OE1-CE1 3.71Å; E239-H305 PolarHBondContact OE1-CE1 3.09Å; E239-H305 IonicContact OE1-CG 3.16Å; E239-H305 IonicContact OE1-ND1 2.75Å; E239-H305 PolarHBondContact OE1-ND1 2.94Å; E239-H305 IonicContact OE2-ND1 3.26Å; F240-H305 PolarHBondContact N-O 2.93Å; H305-G307 PolarHBondContact ND1-N 2.9Å; H305-G307 VanDerWaalsContact ND1-N 3.16Å; H305-V358 WeakPolarHBondContact CA-O 3.3Å; H305-V358 HydrophobicContact CB-CB 4.29Å; H305-V358 WeakPolarHBondContact CD2-CG1 3.42Å; H305-W360 AromaticContact CE1-CD1 3.69Å; H305-W360 AromaticContact CE1-CD2 3.79Å; H305-W360 AromaticContact CE1-CE2 3.57Å; H305-W360 AromaticContact CE1-CG 3.83Å; H305-W360 AromaticContact CE1-NE1 3.48Å; H305-W360 PolarHBondContact CE1-NE1 2.8Å; H305-Q377 PolarHBondContact NE2-OE1 3.06Å
306L97.8Very high91.5Very high0 Ų029.2 Ų29.20%014%0.142CC..  trans-101.67.9-177.7-62.9-179.9000111.7F292 L304 L344 L345 I348 F355 P357 V358 Y359F292-L306 HydrophobicContact CD1-CD2 4.16Å; F292-L306 HydrophobicContact CE1-CD2 3.47Å; F292-L306 VanDerWaalsContact CE1-CD2 3.47Å; F292-L306 HydrophobicContact CZ-CD2 3.72Å; L304-L306 HydrophobicContact CD2-CD2 3.79Å; L304-L306 HydrophobicContact CG-CD2 3.77Å; L304-L306 HydrophobicContact CG-CG 4.41Å; L304-L306 PolarHBondContact O-N 3.24Å; L306-L344 HydrophobicContact CD1-CD2 4.47Å; L306-L344 HydrophobicContact CD2-CD2 4.43Å; L306-L345 HydrophobicContact CD1-CD2 3.95Å; L306-I348 HydrophobicContact CD2-CD1 4.27Å; L306-F355 HydrophobicContact CD1-CE2 4.31Å; L306-P357 HydrophobicContact CD1-CB 3.76Å; L306-P357 HydrophobicContact CG-CB 4.46Å; L306-V358 PolarHBondContact N-O 2.8Å; L306-Y359 HydrophobicContact CB-CD1 3.86Å; L306-Y359 HydrophobicContact CB-CE1 3.54Å; L306-Y359 HydrophobicContact CD1-CE1 3.71Å; L306-Y359 WeakPolarHBondContact CD1-OH 3.26Å; L306-Y359 HydrophobicContact CG-CE1 4.21Å
307G97.7Very high90.2Very high0 Ų036.8 Ų36.80%017%0.17CC..  trans66.6-128.5176.300000113.1E239 D241 H305 Y359 W360E239-G307 WeakPolarHBondContact OE1-CA 3.23Å; D241-G307 VanDerWaalsContact CG-CA 3.42Å; D241-G307 WeakPolarHBondContact OD1-CA 3.38Å; D241-G307 WeakPolarHBondContact OD2-CA 3.2Å; H305-G307 PolarHBondContact ND1-N 2.9Å; H305-G307 VanDerWaalsContact ND1-N 3.16Å; G307-Y359 WeakPolarHBondContact O-CA 3.43Å; G307-W360 PolarHBondContact O-N 3.37Å
308G96.3Very high88.6Confident0 Ų035 Ų350%016%0.158CC..  trans96.422.6173.500000114.6D241 S242 D362D241-G308 PolarHBondContact OD1-N 3.01Å; S242-G308 WeakPolarHBondContact O-CA 3.34Å; S242-G308 PolarHBondContact O-N 2.88Å; G308-D362 WeakPolarHBondContact O-CB 3.33Å
309D95.5Very high86.6Confident7 Ų741.1 Ų41.14%0.03718%0.181CC..  trans-86.5165.5170.465.1-28.4000112.6H245 I311 W360 W379H245-D309 IonicContact CD2-OD1 2.73Å; H245-D309 PolarHBondContact CD2-OD1 2.82Å; H245-D309 IonicContact NE2-OD1 3.7Å; H245-D309 IonicContact NE2-OD2 2.73Å; D309-I311 WeakPolarHBondContact O-CG1 3.11Å; D309-I311 PolarHBondContact O-N 3.25Å; D309-W360 HydrophobicContact CB-CB 3.73Å; D309-W360 HydrophobicContact CB-CG 3.72Å; D309-W360 VanDerWaalsContact CG-CD1 3.4Å; D309-W379 HydrophobicContact CB-CZ2 4.42Å
310E92.1Very high84.4Confident115 Ų11547.8 Ų47.854%0.53722%0.216SC..SBendtrans42.728.9168.2-54.2-156.7134.500117.6P312 W379E310-P312 WeakPolarHBondContact O-CD 3.36Å; E310-P312 VanDerWaalsContact O-N 3.12Å; E310-W379 HydrophobicContact CG-CH2 4.09Å; E310-W379 HydrophobicContact CG-CZ2 3.87Å; E310-W379 WeakPolarHBondContact OE1-CH2 3.26Å
311I89.7Confident82.4Confident20 Ų2047 Ų4710%0.10321%0.213CC..  trans-55.7117.8-170.9-55.7171000111.1P243 V276 D309 Q313 W316 I337 F341P243-I311 HydrophobicContact CG-CD1 3.69Å; P243-I311 HydrophobicContact CG-CG1 3.91Å; P243-I311 HydrophobicContact CG-CG2 3.81Å; V276-I311 HydrophobicContact CG2-CG2 4.42Å; D309-I311 WeakPolarHBondContact O-CG1 3.11Å; D309-I311 PolarHBondContact O-N 3.25Å; I311-Q313 VanDerWaalsContact C-N 3.3Å; I311-Q313 WeakPolarHBondContact O-CG 3.33Å; I311-Q313 PolarHBondContact O-N 3.05Å; I311-W316 HydrophobicContact CG2-CH2 3.71Å; I311-W316 HydrophobicContact CG2-CZ3 3.54Å; I311-I337 HydrophobicContact CD1-CD1 4.1Å; I311-I337 HydrophobicContact CD1-CG1 4.11Å; I311-I337 HydrophobicContact CD1-CG2 3.66Å; I311-I337 HydrophobicContact CG2-CD1 4.26Å; I311-I337 HydrophobicContact CG2-CG1 4.26Å; I311-F341 HydrophobicContact CD1-CE2 4.41Å
312P82.5Confident80.3Confident17 Ų1746.8 Ų46.811%0.1121%0.212CC..  trans-68.675.2-178.7-23.835.9000114.3L274 E310 F314 C315L274-P312 HydrophobicContact CD2-CG 4.15Å; E310-P312 WeakPolarHBondContact O-CD 3.36Å; E310-P312 VanDerWaalsContact O-N 3.12Å; P312-F314 HydrophobicContact CB-CD1 4.03Å; P312-F314 HydrophobicContact CB-CE1 3.64Å; P312-F314 HydrophobicContact CB-CZ 4.38Å; P312-F314 PolarHBondContact O-N 3.02Å; P312-C315 WeakPolarHBondContact O-CB 3.04Å; P312-C315 PolarHBondContact O-N 3.24Å
313Q81.3Confident78.4Confident42 Ų4247.2 Ų47.220%0.19622%0.218CC..THydrogen-bonded Turntrans-60.9-21.6-173.7-59.8-171.416.500114.3I311 C315 W316 R317 A333 I337 Y366I311-Q313 VanDerWaalsContact C-N 3.3Å; I311-Q313 WeakPolarHBondContact O-CG 3.33Å; I311-Q313 PolarHBondContact O-N 3.05Å; Q313-C315 PolarHBondContact O-N 3.44Å; Q313-W316 PolarHBondContact O-N 3.2Å; Q313-R317 WeakPolarHBondContact O-CG 3.2Å; Q313-R317 PolarHBondContact O-N 3.16Å; Q313-R317 VanDerWaalsContact O-N 3.12Å; Q313-A333 HydrophobicContact CB-CB 4.18Å; Q313-A333 HydrophobicContact CG-CB 4.45Å; Q313-I337 HydrophobicContact CG-CD1 4.17Å; Q313-Y366 PolarHBondContact NE2-OH 3.46Å
314F76.2Confident76.3Confident91 Ų9150.3 Ų50.340%0.39923%0.233SC..Hα-helixtrans-58.9-31.3179.873.3-96.6000112C260 L274 P312 W316 R317 N318C260-F314 HydrophobicContact CB-CE2 4.2Å; L274-F314 HydrophobicContact CD1-CE1 4.16Å; L274-F314 HydrophobicContact CD1-CZ 4.01Å; P312-F314 HydrophobicContact CB-CD1 4.03Å; P312-F314 HydrophobicContact CB-CE1 3.64Å; P312-F314 HydrophobicContact CB-CZ 4.38Å; P312-F314 PolarHBondContact O-N 3.02Å; F314-W316 VanDerWaalsContact C-N 3.35Å; F314-W316 PolarHBondContact O-N 3.43Å; F314-R317 PolarHBondContact O-N 2.72Å; F314-N318 PolarHBondContact O-N 2.64Å
315C71.4Confident74.4Confident2 Ų251 Ų511%0.01424%0.237CC..Hα-helixtrans-59.5-46.4178.6-176.80000112.1S258 C260 V276 P312 Q313S258-C315 WeakPolarHBondContact CB-SG 3.41Å; C260-C315 HydrophobicContact CB-CB 3.62Å; C260-C315 WeakPolarHBondContact CB-SG 3.3Å; C260-C315 WeakPolarHBondContact SG-CB 3.36Å; C260-C315 CovalentContact SG-SG 1.99Å; C260-C315 PolarHBondContact SG-SG 2.84Å; V276-C315 HydrophobicContact CG1-CB 3.69Å; P312-C315 WeakPolarHBondContact O-CB 3.04Å; P312-C315 PolarHBondContact O-N 3.24Å; Q313-C315 PolarHBondContact O-N 3.44Å
316W74.9Confident72.3Confident8 Ų857.9 Ų57.93%0.0326%0.263CS..Hα-helixtrans-83.6-18.1-178.2-56.8-34.1000113.4P243 S258 V276 I277 P279 I311 Q313 F314 N318 L325 L336 I337P243-W316 HydrophobicContact CB-CH2 3.89Å; P243-W316 HydrophobicContact CB-CZ2 4.22Å; P243-W316 HydrophobicContact CG-CH2 3.75Å; S258-W316 PolarHBondContact OG-NE1 3.03Å; S258-W316 VanDerWaalsContact OG-NE1 3.08Å; V276-W316 HydrophobicContact CG2-CH2 3.7Å; V276-W316 HydrophobicContact CG2-CZ2 3.29Å; I277-W316 WeakPolarHBondContact O-CZ2 3.26Å; I277-W316 PolarHBondContact O-NE1 3.41Å; P279-W316 HydrophobicContact CG-CZ2 3.93Å; I311-W316 HydrophobicContact CG2-CH2 3.71Å; I311-W316 HydrophobicContact CG2-CZ3 3.54Å; Q313-W316 PolarHBondContact O-N 3.2Å; F314-W316 VanDerWaalsContact C-N 3.35Å; F314-W316 PolarHBondContact O-N 3.43Å; W316-N318 VanDerWaalsContact C-N 3.29Å; W316-L325 HydrophobicContact CB-CD1 4.42Å; W316-L336 HydrophobicContact CB-CD1 3.78Å; W316-L336 HydrophobicContact CD2-CD1 4.5Å; W316-L336 HydrophobicContact CE3-CB 4.37Å; W316-L336 HydrophobicContact CG-CD1 4.1Å; W316-I337 HydrophobicContact CE3-CG1 4.26Å; W316-I337 HydrophobicContact CH2-CG1 4.12Å; W316-I337 HydrophobicContact CZ3-CD1 4.15Å; W316-I337 HydrophobicContact CZ3-CG1 3.38Å
317R68.3Low70.2Confident166 Ų16667.2 Ų67.263%0.62630%0.304SS*.Hα-helixtrans-70.9-25.8172.9-71.7175.8-173.5-174.23.6112Q313 F314 R319 A333Q313-R317 WeakPolarHBondContact O-CG 3.2Å; Q313-R317 PolarHBondContact O-N 3.16Å; Q313-R317 VanDerWaalsContact O-N 3.12Å; F314-R317 PolarHBondContact O-N 2.72Å; R317-R319 VanDerWaalsContact C-N 3.3Å; R317-R319 PolarHBondContact O-N 3.05Å; R317-A333 HydrophobicContact CG-CB 4.38Å
318N60.7Low68.2Low42 Ų4268.4 Ų68.423%0.22531%0.314CS..  trans-82.771.8179.8-160.3-7.1000112.1F262 F314 W316 N320 K321F262-N318 WeakPolarHBondContact CE1-ND2 3.37Å; F314-N318 PolarHBondContact O-N 2.64Å; W316-N318 VanDerWaalsContact C-N 3.29Å; N318-N320 PolarHBondContact O-N 3.08Å; N318-K321 PolarHBondContact O-N 3.1Å
319R54.4Low66Low158 Ų15875.8 Ų75.860%0.59635%0.348SS*.THydrogen-bonded Turntrans-54-24-170.8-58.5-174.6-172.1-147.2-0.2115.9R317 K321R317-R319 VanDerWaalsContact C-N 3.3Å; R317-R319 PolarHBondContact O-N 3.05Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 3.33Å
320N52.8Low64.2Low142 Ų14284.8 Ų84.876%0.75939%0.387SS*.THydrogen-bonded Turntrans-80.9-11.8-172.4-67.3-20000113.7N318N318-N320 PolarHBondContact O-N 3.08Å
321K53Low62.9Low80 Ų8082.9 Ų82.935%0.34838%0.38SS..SBendtrans-113.4-9.9-166.9-73-148.7172.8-156.90116.6A261 F262 N318 R319 P323A261-K321 VanDerWaalsContact O-CD 3.28Å; A261-K321 WeakPolarHBondContact O-CD 3.32Å; A261-K321 PolarHBondContact O-NZ 2.88Å; F262-K321 PolarHBondContact O-NZ 2.97Å; N318-K321 PolarHBondContact O-N 3.1Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 3.33Å; K321-P323 VanDerWaalsContact O-CD 3.27Å; K321-P323 WeakPolarHBondContact O-CD 3.45Å
322V53.4Low62.4Low2 Ų285.7 Ų85.71%0.01240%0.395CS..  trans-108.697172.5-175.80000107.1Q324 L325 R326V322-Q324 HydrophobicContact CG1-CB 4.27Å; V322-Q324 PolarHBondContact O-N 3.39Å; V322-L325 HydrophobicContact CB-CB 3.92Å; V322-L325 HydrophobicContact CB-CD1 3.68Å; V322-L325 HydrophobicContact CB-CG 3.92Å; V322-L325 HydrophobicContact CG1-CB 4.06Å; V322-L325 HydrophobicContact CG1-CD1 3.91Å; V322-L325 HydrophobicContact CG1-CG 3.77Å; V322-L325 HydrophobicContact CG2-CD1 3.9Å; V322-L325 WeakPolarHBondContact O-CB 3.46Å; V322-L325 PolarHBondContact O-N 3.34Å; V322-R326 PolarHBondContact O-N 3.25Å
323P54.6Low62.3Low77 Ų7785.4 Ų85.450%0.539%0.394SS..THydrogen-bonded Turntrans-55.2-28.3-178.8-25.834.8000112.8K321 R326K321-P323 VanDerWaalsContact O-CD 3.27Å; K321-P323 WeakPolarHBondContact O-CD 3.45Å; P323-R326 PolarHBondContact O-N 2.91Å
324Q54.8Low62.5Low84 Ų8486.6 Ų86.639%0.39340%0.401SS..THydrogen-bonded Turntrans-70.3-33.2175-63.4108.8-0.700113D278 T280 K281 V322 R326 K327D278-Q324 PolarHBondContact OD2-OE1 2.95Å; T280-Q324 VanDerWaalsContact OG1-CB 3.25Å; T280-Q324 WeakPolarHBondContact OG1-CB 3.26Å; K281-Q324 HydrophobicContact CG-CG 4.48Å; V322-Q324 HydrophobicContact CG1-CB 4.27Å; V322-Q324 PolarHBondContact O-N 3.39Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 PolarHBondContact O-N 3.37Å; Q324-K327 PolarHBondContact O-N 3.13Å
325L55.7Low63Low17 Ų1784.4 Ų84.49%0.08940%0.396CS..THydrogen-bonded Turntrans-71.3-19.8175.4-79.5171.2000113.3T280 W316 V322 K327 A328 L336T280-L325 HydrophobicContact CG2-CD2 3.23Å; T280-L325 HydrophobicContact CG2-CG 3.77Å; W316-L325 HydrophobicContact CB-CD1 4.42Å; V322-L325 HydrophobicContact CB-CB 3.92Å; V322-L325 HydrophobicContact CB-CD1 3.68Å; V322-L325 HydrophobicContact CB-CG 3.92Å; V322-L325 HydrophobicContact CG1-CB 4.06Å; V322-L325 HydrophobicContact CG1-CD1 3.91Å; V322-L325 HydrophobicContact CG1-CG 3.77Å; V322-L325 HydrophobicContact CG2-CD1 3.9Å; V322-L325 WeakPolarHBondContact O-CB 3.46Å; V322-L325 PolarHBondContact O-N 3.34Å; L325-K327 PolarHBondContact O-N 3.4Å; L325-A328 HydrophobicContact CD2-CB 4.19Å; L325-A328 PolarHBondContact O-N 2.99Å; L325-L336 HydrophobicContact CD2-CD1 3.58Å; L325-L336 HydrophobicContact CD2-CD2 3.84Å; L325-L336 HydrophobicContact CD2-CG 4.38Å
326R54.1Low63.9Low145 Ų14584.5 Ų84.555%0.54740%0.397SS..THydrogen-bonded Turntrans-59.4-32.7172.1-72.5-170.6-84.1-179.5-8.7111.7V322 P323 Q324 E329V322-R326 PolarHBondContact O-N 3.25Å; P323-R326 PolarHBondContact O-N 2.91Å; Q324-R326 VanDerWaalsContact C-N 3.28Å; Q324-R326 PolarHBondContact O-N 3.37Å; R326-E329 VanDerWaalsContact O-CB 3.24Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 WeakPolarHBondContact O-CG 3.35Å
327K53.9Low64.6Low197 Ų19784.1 Ų84.186%0.85740%0.395SS*.THydrogen-bonded Turntrans-76.6-22.6174.1-72.9-174.2178.1-179.30113.8Q324 L325 E329Q324-K327 PolarHBondContact O-N 3.13Å; L325-K327 PolarHBondContact O-N 3.4Å; K327-E329 PolarHBondContact O-N 3.46Å; K327-E329 VanDerWaalsContact O-N 3.07Å
328A56Low65.8Low25 Ų2578.6 Ų78.621%0.20738%0.38CS..THydrogen-bonded Turntrans-80.928.7174.500000112.2T280 L325 K330 L331T280-A328 HydrophobicContact CG2-CB 4.22Å; L325-A328 HydrophobicContact CD2-CB 4.19Å; L325-A328 PolarHBondContact O-N 2.99Å; A328-K330 PolarHBondContact O-N 3.28Å; A328-L331 PolarHBondContact O-N 3.46Å
329E51.3Low67.3Low154 Ų15480.3 Ų80.372%0.7239%0.386SS*.THydrogen-bonded Turntrans-51.6-0.3-158.5-126.7156.8-143.200117.2R326 K327R326-E329 VanDerWaalsContact O-CB 3.24Å; R326-E329 WeakPolarHBondContact O-CB 3.49Å; R326-E329 WeakPolarHBondContact O-CG 3.35Å; K327-E329 PolarHBondContact O-N 3.46Å; K327-E329 VanDerWaalsContact O-N 3.07Å
330K56.8Low69.2Low196 Ų19672.8 Ų72.885%0.85236%0.357SS*.THydrogen-bonded Turntrans-128.9-0.9179.7-62.4-173.5-179.9-179.60115.6A328A328-K330 PolarHBondContact O-N 3.28Å
331L65.6Low71.2Confident76 Ų7666 Ų6640%0.39832%0.321SS..  trans-95.9132.2-175.9-58.5-177.6000111.7A328 L336A328-L331 PolarHBondContact O-N 3.46Å; L331-L336 HydrophobicContact CB-CD2 4.19Å; L331-L336 HydrophobicContact CB-CG 4.27Å; L331-L336 HydrophobicContact CD1-CD2 4.23Å
332D79Confident73.1Confident79 Ų7968.6 Ų68.642%0.42233%0.332SS..  trans-84.2173.8169.463.511.5000111.5M334 S335 L336D332-M334 PolarHBondContact O-N 3.05Å; D332-M334 PolarHBondContact OD1-N 2.86Å; D332-S335 WeakPolarHBondContact O-CB 3.47Å; D332-S335 PolarHBondContact O-N 3.4Å; D332-S335 VanDerWaalsContact O-N 3.13Å; D332-S335 WeakPolarHBondContact OD1-CB 3.48Å; D332-S335 PolarHBondContact OD1-N 3.31Å; D332-S335 PolarHBondContact OD1-OG 2.93Å; D332-L336 WeakPolarHBondContact O-CG 3.5Å; D332-L336 PolarHBondContact O-N 3.39Å
333A80.6Confident75.1Confident11 Ų1170.4 Ų70.49%0.09134%0.342CS..Hα-helixtrans-57.4-37.7-179.400000112.3Q313 R317 S335 L336 I337Q313-A333 HydrophobicContact CB-CB 4.18Å; Q313-A333 HydrophobicContact CG-CB 4.45Å; R317-A333 HydrophobicContact CG-CB 4.38Å; A333-S335 PolarHBondContact O-N 3.45Å; A333-L336 PolarHBondContact O-N 3.32Å; A333-I337 VanDerWaalsContact O-CG1 3.3Å; A333-I337 WeakPolarHBondContact O-CG1 3.34Å; A333-I337 PolarHBondContact O-N 2.63Å
334M85.7Confident77Confident67 Ų6766.7 Ų66.733%0.3332%0.318SS..Hα-helixtrans-62.8-43.4177.9-60.6-74.3-60.600111.6D332 L336 I337 T338 Q365 Y366D332-M334 PolarHBondContact O-N 3.05Å; D332-M334 PolarHBondContact OD1-N 2.86Å; M334-L336 VanDerWaalsContact C-N 3.33Å; M334-I337 PolarHBondContact O-N 3.39Å; M334-T338 PolarHBondContact O-N 2.84Å; M334-T338 PolarHBondContact O-OG1 3.45Å; M334-Q365 HydrophobicContact CE-CG 4.12Å; M334-Y366 HydrophobicContact CB-CE1 4.21Å; M334-Y366 HydrophobicContact CE-CD1 3.98Å; M334-Y366 HydrophobicContact CE-CE1 3.28Å; M334-Y366 HydrophobicContact CG-CE1 4.41Å; M334-Y366 HydrophobicContact SD-CE1 3.4Å; M334-Y366 WeakPolarHBondContact SD-CE1 3.35Å
335S86.8Confident78.8Confident44 Ų4463.9 Ų63.931%0.30831%0.305SS..Hα-helixtrans-66-36.6177.1-58.10000111.6D332 A333 T338 F339D332-S335 WeakPolarHBondContact O-CB 3.47Å; D332-S335 PolarHBondContact O-N 3.4Å; D332-S335 VanDerWaalsContact O-N 3.13Å; D332-S335 WeakPolarHBondContact OD1-CB 3.48Å; D332-S335 PolarHBondContact OD1-N 3.31Å; D332-S335 PolarHBondContact OD1-OG 2.93Å; A333-S335 PolarHBondContact O-N 3.45Å; S335-T338 PolarHBondContact O-N 3.3Å; S335-F339 VanDerWaalsContact O-CB 3.23Å; S335-F339 WeakPolarHBondContact O-CB 3.35Å; S335-F339 PolarHBondContact O-N 3.47Å
336L88.5Confident80.6Confident4 Ų465.7 Ų65.72%0.02133%0.328CS..Hα-helixtrans-68.5-38.7176.2-68.5170.1000112.5P279 T280 W316 L325 L331 D332 A333 M334 F339 H340P279-L336 HydrophobicContact CG-CB 4.11Å; P279-L336 HydrophobicContact CG-CD2 4.17Å; T280-L336 HydrophobicContact CG2-CD2 4.37Å; W316-L336 HydrophobicContact CB-CD1 3.78Å; W316-L336 HydrophobicContact CD2-CD1 4.5Å; W316-L336 HydrophobicContact CE3-CB 4.37Å; W316-L336 HydrophobicContact CG-CD1 4.1Å; L325-L336 HydrophobicContact CD2-CD1 3.58Å; L325-L336 HydrophobicContact CD2-CD2 3.84Å; L325-L336 HydrophobicContact CD2-CG 4.38Å; L331-L336 HydrophobicContact CB-CD2 4.19Å; L331-L336 HydrophobicContact CB-CG 4.27Å; L331-L336 HydrophobicContact CD1-CD2 4.23Å; D332-L336 WeakPolarHBondContact O-CG 3.5Å; D332-L336 PolarHBondContact O-N 3.39Å; A333-L336 PolarHBondContact O-N 3.32Å; M334-L336 VanDerWaalsContact C-N 3.33Å; L336-F339 WeakPolarHBondContact O-CB 3.48Å; L336-F339 PolarHBondContact O-N 3.43Å; L336-H340 PolarHBondContact O-N 2.92Å
337I91.6Very high82.4Confident0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-63.5-46.4173.3-63.3163.7000110.4I311 Q313 W316 A333 M334 F339 H340 F341 Y366I311-I337 HydrophobicContact CD1-CD1 4.1Å; I311-I337 HydrophobicContact CD1-CG1 4.11Å; I311-I337 HydrophobicContact CD1-CG2 3.66Å; I311-I337 HydrophobicContact CG2-CD1 4.26Å; I311-I337 HydrophobicContact CG2-CG1 4.26Å; Q313-I337 HydrophobicContact CG-CD1 4.17Å; W316-I337 HydrophobicContact CE3-CG1 4.26Å; W316-I337 HydrophobicContact CH2-CG1 4.12Å; W316-I337 HydrophobicContact CZ3-CD1 4.15Å; W316-I337 HydrophobicContact CZ3-CG1 3.38Å; A333-I337 VanDerWaalsContact O-CG1 3.3Å; A333-I337 WeakPolarHBondContact O-CG1 3.34Å; A333-I337 PolarHBondContact O-N 2.63Å; M334-I337 PolarHBondContact O-N 3.39Å; I337-F339 VanDerWaalsContact C-N 3.29Å; I337-F339 PolarHBondContact O-N 2.82Å; I337-H340 WeakPolarHBondContact O-CB 3.34Å; I337-H340 PolarHBondContact O-N 2.75Å; I337-F341 HydrophobicContact CG2-CD2 3.9Å; I337-F341 HydrophobicContact CG2-CE2 3.75Å; I337-F341 WeakPolarHBondContact O-CD2 3.09Å; I337-F341 PolarHBondContact O-N 2.75Å; I337-F341 VanDerWaalsContact O-N 3.12Å; I337-Y366 HydrophobicContact CB-CD1 3.81Å; I337-Y366 HydrophobicContact CB-CD2 4.41Å; I337-Y366 HydrophobicContact CB-CE1 3.95Å; I337-Y366 HydrophobicContact CB-CG 4.04Å; I337-Y366 HydrophobicContact CD1-CD1 4.38Å; I337-Y366 HydrophobicContact CD1-CE1 3.63Å; I337-Y366 HydrophobicContact CD1-CE2 4.1Å; I337-Y366 VanDerWaalsContact CD1-CZ 3.49Å; I337-Y366 WeakPolarHBondContact CD1-OH 3.45Å; I337-Y366 HydrophobicContact CG1-CE1 4.37Å; I337-Y366 HydrophobicContact CG2-CD1 3.74Å; I337-Y366 HydrophobicContact CG2-CD2 3.49Å; I337-Y366 VanDerWaalsContact CG2-CD2 3.49Å; I337-Y366 HydrophobicContact CG2-CE1 4.05Å; I337-Y366 HydrophobicContact CG2-CE2 3.87Å; I337-Y366 HydrophobicContact CG2-CG 3.42Å; I337-Y366 VanDerWaalsContact CG2-CG 3.42Å
338T92.3Very high84.2Confident50 Ų5050.2 Ų50.231%0.30727%0.267SS..Hα-helixtrans-60.7-41.9176.8-54.80000111M334 S335 H340 K342M334-T338 PolarHBondContact O-N 2.84Å; M334-T338 PolarHBondContact O-OG1 3.45Å; S335-T338 PolarHBondContact O-N 3.3Å; T338-H340 VanDerWaalsContact C-N 3.35Å; T338-K342 VanDerWaalsContact O-CB 3.31Å; T338-K342 WeakPolarHBondContact O-CB 3.23Å; T338-K342 PolarHBondContact O-N 3.03Å
339F91.6Very high84.8Confident79 Ų7956.5 Ų56.535%0.34629%0.289SS..Hα-helixtrans-62.2-41.7175.6-174.1-111.2000111.7P279 S335 L336 I337 K342 N343P279-F339 VanDerWaalsContact O-CD1 3.32Å; P279-F339 WeakPolarHBondContact O-CD1 3.4Å; P279-F339 WeakPolarHBondContact O-CE1 3.39Å; S335-F339 VanDerWaalsContact O-CB 3.23Å; S335-F339 WeakPolarHBondContact O-CB 3.35Å; S335-F339 PolarHBondContact O-N 3.47Å; L336-F339 WeakPolarHBondContact O-CB 3.48Å; L336-F339 PolarHBondContact O-N 3.43Å; I337-F339 VanDerWaalsContact C-N 3.29Å; I337-F339 PolarHBondContact O-N 2.82Å; F339-K342 PolarHBondContact O-N 2.93Å; F339-N343 VanDerWaalsContact CD1-ND2 3.3Å; F339-N343 WeakPolarHBondContact CD1-ND2 2.88Å; F339-N343 WeakPolarHBondContact CE1-ND2 3.45Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.29Å; F339-N343 WeakPolarHBondContact O-CB 3.25Å; F339-N343 VanDerWaalsContact O-CG 3.3Å; F339-N343 PolarHBondContact O-N 2.89Å; F339-N343 PolarHBondContact O-ND2 2.95Å
340H94.2Very high85.6Confident0 Ų054.5 Ų54.50%029%0.292CS..Hα-helixtrans-56.7-57.3176173.570.3000112.4S242 P279 Y285 L336 I337 T338 K342 N343 L344S242-H340 PolarHBondContact OG-NE2 3.32Å; P279-H340 HydrophobicContact CB-CB 4.19Å; Y285-H340 AromaticContact CE1-ND1 3.6Å; Y285-H340 AromaticContact CZ-ND1 3.94Å; Y285-H340 VanDerWaalsContact OH-CA 3.3Å; Y285-H340 WeakPolarHBondContact OH-CA 3.17Å; Y285-H340 PolarHBondContact OH-ND1 2.8Å; L336-H340 PolarHBondContact O-N 2.92Å; I337-H340 WeakPolarHBondContact O-CB 3.34Å; I337-H340 PolarHBondContact O-N 2.75Å; T338-H340 VanDerWaalsContact C-N 3.35Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 2.84Å; H340-N343 PolarHBondContact O-N 2.02Å; H340-L344 VanDerWaalsContact O-CB 3.29Å; H340-L344 WeakPolarHBondContact O-CB 3.31Å; H340-L344 PolarHBondContact O-N 2.94Å
341F95.2Very high86.4Confident0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-64.9-34.7-178.7-74.3-65.1000112.7S242 I311 I337 L344 L345 Y359 A363 V367 L370S242-F341 WeakPolarHBondContact O-CZ 3.18Å; I311-F341 HydrophobicContact CD1-CE2 4.41Å; I337-F341 HydrophobicContact CG2-CD2 3.9Å; I337-F341 HydrophobicContact CG2-CE2 3.75Å; I337-F341 WeakPolarHBondContact O-CD2 3.09Å; I337-F341 PolarHBondContact O-N 2.75Å; I337-F341 VanDerWaalsContact O-N 3.12Å; F341-L344 HydrophobicContact CD1-CD2 4.34Å; F341-L345 WeakPolarHBondContact O-CB 3.43Å; F341-L345 VanDerWaalsContact O-CG 3.3Å; F341-L345 WeakPolarHBondContact O-CG 3.05Å; F341-L345 PolarHBondContact O-N 3Å; F341-Y359 HydrophobicContact CD1-CD1 4.27Å; F341-Y359 AromaticContact CD1-CE1 3.58Å; F341-Y359 HydrophobicContact CD1-CE1 3.58Å; F341-Y359 AromaticContact CE1-CD1 3.86Å; F341-Y359 HydrophobicContact CE1-CD1 3.86Å; F341-Y359 AromaticContact CE1-CE1 3.59Å; F341-Y359 HydrophobicContact CE1-CE1 3.59Å; F341-Y359 HydrophobicContact CG-CE1 4.49Å; F341-Y359 HydrophobicContact CZ-CD1 4.41Å; F341-Y359 HydrophobicContact CZ-CE1 4.49Å; F341-A363 HydrophobicContact CE2-CB 4.13Å; F341-A363 HydrophobicContact CZ-CB 4.18Å; F341-V367 HydrophobicContact CB-CG1 3.54Å; F341-V367 HydrophobicContact CD1-CG1 4.09Å; F341-V367 HydrophobicContact CD2-CG1 3.42Å; F341-V367 VanDerWaalsContact CD2-CG1 3.42Å; F341-V367 HydrophobicContact CE2-CG1 4.12Å; F341-V367 HydrophobicContact CG-CG1 3.4Å; F341-V367 VanDerWaalsContact CG-CG1 3.4Å; F341-L370 HydrophobicContact CB-CD1 3.75Å
342K94.1Very high87.2Confident134 Ų13449.8 Ų49.858%0.58327%0.274SS*.Hα-helixtrans-61-47.6174.1-178.1-179.2176.9-178.10111.6T338 F339 H340 G346 L370T338-K342 VanDerWaalsContact O-CB 3.31Å; T338-K342 WeakPolarHBondContact O-CB 3.23Å; T338-K342 PolarHBondContact O-N 3.03Å; F339-K342 PolarHBondContact O-N 2.93Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 2.84Å; K342-G346 PolarHBondContact O-N 2.89Å; K342-L370 HydrophobicContact CB-CD1 4.4Å; K342-L370 HydrophobicContact CB-CD2 4.24Å
343N94.1Very high87.8Confident39 Ų3949.6 Ų49.621%0.20927%0.267CS..Hα-helixtrans-72.2-37.3-179.4-69.4-17.4000112.3Y285 F339 H340 G346 S347Y285-N343 HydrophobicContact CD1-CB 3.52Å; Y285-N343 HydrophobicContact CD2-CB 3.78Å; Y285-N343 HydrophobicContact CE1-CB 3.45Å; Y285-N343 VanDerWaalsContact CE1-CB 3.45Å; Y285-N343 HydrophobicContact CE2-CB 3.69Å; Y285-N343 VanDerWaalsContact CE2-ND2 3.33Å; Y285-N343 WeakPolarHBondContact CE2-ND2 3.22Å; Y285-N343 HydrophobicContact CG-CB 3.7Å; F339-N343 VanDerWaalsContact CD1-ND2 3.3Å; F339-N343 WeakPolarHBondContact CD1-ND2 2.88Å; F339-N343 WeakPolarHBondContact CE1-ND2 3.45Å; F339-N343 WeakPolarHBondContact CE2-ND2 3.39Å; F339-N343 WeakPolarHBondContact CZ-ND2 3.29Å; F339-N343 WeakPolarHBondContact O-CB 3.25Å; F339-N343 VanDerWaalsContact O-CG 3.3Å; F339-N343 PolarHBondContact O-N 2.89Å; F339-N343 PolarHBondContact O-ND2 2.95Å; H340-N343 PolarHBondContact O-N 2.02Å; N343-G346 CarbonylContact O-C 3.48Å; N343-G346 PolarHBondContact O-N 3.02Å; N343-S347 PolarHBondContact O-N 2.91Å
344L94.9Very high88.4Confident0 Ų054.8 Ų54.80%029%0.293CS..Hα-helixtrans-59.4-52.8173.6176.856.7000111S242 L288 F292 L306 H340 F341 G346 S347 I348S242-L344 WeakPolarHBondContact OG-CD2 2.92Å; L288-L344 HydrophobicContact CB-CD1 4.04Å; L288-L344 HydrophobicContact CD1-CD1 3.9Å; F292-L344 HydrophobicContact CD2-CD1 3.69Å; F292-L344 HydrophobicContact CE2-CD1 3.56Å; F292-L344 HydrophobicContact CZ-CD1 4.47Å; L306-L344 HydrophobicContact CD1-CD2 4.47Å; L306-L344 HydrophobicContact CD2-CD2 4.43Å; H340-L344 VanDerWaalsContact O-CB 3.29Å; H340-L344 WeakPolarHBondContact O-CB 3.31Å; H340-L344 PolarHBondContact O-N 2.94Å; F341-L344 HydrophobicContact CD1-CD2 4.34Å; L344-G346 PolarHBondContact O-N 3.26Å; L344-S347 PolarHBondContact O-N 3.28Å; L344-S347 VanDerWaalsContact O-N 3.13Å; L344-S347 PolarHBondContact O-OG 3.32Å; L344-I348 HydrophobicContact CD1-CD1 3.71Å; L344-I348 HydrophobicContact CD1-CG1 4.24Å; L344-I348 HydrophobicContact CG-CD1 4Å; L344-I348 VanDerWaalsContact O-CG1 3.26Å; L344-I348 WeakPolarHBondContact O-CG1 3.38Å; L344-I348 PolarHBondContact O-N 3.19Å
345L93.6Very high88.8Confident24 Ų2452.8 Ų52.813%0.12628%0.283CS..Hα-helixtrans-59.8-38.3175.6-71.7177000111.6L306 F341 I348 K349 F355 P357 L370L306-L345 HydrophobicContact CD1-CD2 3.95Å; F341-L345 WeakPolarHBondContact O-CB 3.43Å; F341-L345 VanDerWaalsContact O-CG 3.3Å; F341-L345 WeakPolarHBondContact O-CG 3.05Å; F341-L345 PolarHBondContact O-N 3Å; L345-I348 PolarHBondContact O-N 3.42Å; L345-K349 WeakPolarHBondContact O-CB 3.08Å; L345-K349 PolarHBondContact O-N 3.28Å; L345-F355 HydrophobicContact CD2-CE2 4.38Å; L345-F355 HydrophobicContact CD2-CZ 3.95Å; L345-P357 HydrophobicContact CD2-CB 4.42Å; L345-L370 HydrophobicContact CD1-CB 4.07Å; L345-L370 HydrophobicContact CD1-CD1 4.32Å
346G92.8Very high89.2Confident55 Ų5551.6 Ų51.657%0.56727%0.274SS*.Hα-helixtrans-63.4-35.2175.600000114K342 N343 L344K342-G346 PolarHBondContact O-N 2.89Å; N343-G346 CarbonylContact O-C 3.48Å; N343-G346 PolarHBondContact O-N 3.02Å; L344-G346 PolarHBondContact O-N 3.26Å
347S92.9Very high89.6Confident14 Ų1451.6 Ų51.610%0.09827%0.274CS..Hα-helixtrans-77.4-25.6-179.670.10000113.3Y285 N343 L344 K351Y285-S347 VanDerWaalsContact O-CB 3.25Å; Y285-S347 WeakPolarHBondContact O-CB 3.28Å; Y285-S347 PolarHBondContact O-OG 2.91Å; N343-S347 PolarHBondContact O-N 2.91Å; L344-S347 PolarHBondContact O-N 3.28Å; L344-S347 VanDerWaalsContact O-N 3.13Å; L344-S347 PolarHBondContact O-OG 3.32Å; S347-K351 PolarHBondContact O-NZ 2.87Å
348I90.4Very high89.9Confident4 Ų451.7 Ų51.72%0.02128%0.275CS..Hα-helixtrans-88.3-43.6179.8-56.2170000112.1F292 L296 L306 L344 L345 S350 F355F292-I348 HydrophobicContact CB-CD1 3.75Å; F292-I348 HydrophobicContact CB-CG1 3.6Å; F292-I348 HydrophobicContact CB-CG2 4.38Å; F292-I348 HydrophobicContact CD1-CD1 4.11Å; F292-I348 HydrophobicContact CD2-CD1 3.82Å; F292-I348 HydrophobicContact CD2-CG1 4.23Å; F292-I348 HydrophobicContact CE2-CD1 4.48Å; F292-I348 HydrophobicContact CG-CD1 3.63Å; F292-I348 HydrophobicContact CG-CG1 4.02Å; L296-I348 HydrophobicContact CD1-CG2 3.46Å; L296-I348 VanDerWaalsContact CD1-CG2 3.46Å; L306-I348 HydrophobicContact CD2-CD1 4.27Å; L344-I348 HydrophobicContact CD1-CD1 3.71Å; L344-I348 HydrophobicContact CD1-CG1 4.24Å; L344-I348 HydrophobicContact CG-CD1 4Å; L344-I348 VanDerWaalsContact O-CG1 3.26Å; L344-I348 WeakPolarHBondContact O-CG1 3.38Å; L344-I348 PolarHBondContact O-N 3.19Å; L345-I348 PolarHBondContact O-N 3.42Å; I348-S350 PolarHBondContact O-N 2.86Å; I348-F355 HydrophobicContact CB-CE1 4.13Å; I348-F355 HydrophobicContact CB-CZ 4.26Å; I348-F355 HydrophobicContact CD1-CZ 4.31Å; I348-F355 HydrophobicContact CG2-CD1 4.13Å; I348-F355 HydrophobicContact CG2-CE1 3.37Å; I348-F355 HydrophobicContact CG2-CZ 3.77Å
349K69.2Low90.2Very high156 Ų15649.3 Ų49.368%0.67826%0.26SS*.THydrogen-bonded Turntrans-63.2134.2-167.6-168.3173.5-177.1179.30111.9L345L345-K349 WeakPolarHBondContact O-CB 3.08Å; L345-K349 PolarHBondContact O-N 3.28Å
350S66.7Low90.5Very high112 Ų11245.6 Ų45.678%0.78324%0.244SC*.THydrogen-bonded Turntrans89.3-10.4177.776.80000119.1I348I348-S350 PolarHBondContact O-N 2.86Å
351K74.3Confident90.7Very high112 Ų11246.3 Ų46.349%0.48725%0.247SC..SBendtrans-90.4-27.9-167.3-66.1-177.1-178.41630116.2E293 S347E293-K351 HydrophobicContact CG-CB 4Å; E293-K351 HydrophobicContact CG-CD 3.82Å; E293-K351 WeakPolarHBondContact OE1-CD 3.05Å; E293-K351 WeakPolarHBondContact OE1-CE 3.4Å; E293-K351 IonicContact OE1-NZ 2.65Å; E293-K351 PolarHBondContact OE1-NZ 2.86Å; S347-K351 PolarHBondContact O-NZ 2.87Å
352V83.5Confident90.7Very high62 Ų6247.9 Ų47.938%0.37626%0.255SS..SBendtrans-128-64.4-174.7-174.40000111.2E293 L296E293-V352 HydrophobicContact CB-CG2 4.15Å; E293-V352 HydrophobicContact CG-CG2 4.22Å; L296-V352 HydrophobicContact CB-CB 4.19Å; L296-V352 HydrophobicContact CB-CG1 4.19Å; L296-V352 HydrophobicContact CB-CG2 4.5Å
353R91.7Very high90.8Very high74 Ų7441.5 Ų41.528%0.27923%0.228SC..  trans-159.2165.8179.159.6-178.9177.290.2-7.7110.7L296 F299 D301L296-R353 PolarHBondContact O-NE 2.91Å; F299-R353 PolarHBondContact O-NH2 3.2Å; D301-R353 VanDerWaalsContact O-CZ 3.26Å; D301-R353 PolarHBondContact O-NH1 3.24Å; D301-R353 PolarHBondContact O-NH2 2.86Å
354D91.4Very high90.9Very high120 Ų12041.2 Ų41.264%0.64223%0.225SC*.  trans-63.5146.2165.4-81.1-11.3000110.4N302N302-D354 PolarHBondContact OD1-O 2.91Å
355F94.1Very high90.9Very high26 Ų2646.8 Ų46.811%0.11425%0.251CS..  trans-144.1162.9174.773.9-82.2000110.2L296 N302 L304 L306 L345 I348 P357L296-F355 HydrophobicContact CD1-CD1 3.94Å; L296-F355 HydrophobicContact CD1-CE1 4.4Å; L296-F355 HydrophobicContact CD1-CG 4.45Å; L296-F355 HydrophobicContact CD2-CB 3.86Å; L296-F355 HydrophobicContact CD2-CD1 4.47Å; L296-F355 HydrophobicContact CD2-CG 4.18Å; N302-F355 CarbonylContact O-C 3.59Å; N302-F355 WeakPolarHBondContact O-CA 3.14Å; N302-F355 WeakPolarHBondContact OD1-CA 3.3Å; L304-F355 HydrophobicContact CB-CD2 3.88Å; L304-F355 HydrophobicContact CB-CE2 4.44Å; L304-F355 HydrophobicContact CD2-CD2 4.06Å; L304-F355 HydrophobicContact CD2-CE2 4.04Å; L306-F355 HydrophobicContact CD1-CE2 4.31Å; L345-F355 HydrophobicContact CD2-CE2 4.38Å; L345-F355 HydrophobicContact CD2-CZ 3.95Å; I348-F355 HydrophobicContact CB-CE1 4.13Å; I348-F355 HydrophobicContact CB-CZ 4.26Å; I348-F355 HydrophobicContact CD1-CZ 4.31Å; I348-F355 HydrophobicContact CG2-CD1 4.13Å; I348-F355 HydrophobicContact CG2-CE1 3.37Å; I348-F355 HydrophobicContact CG2-CZ 3.77Å; F355-P357 HydrophobicContact CE2-CB 3.96Å
356T95.9Very high90.9Very high18 Ų1846.4 Ų46.411%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-109.4114.7173.8-53.50000108.1N302 Y303 L304 K373 V375N302-T356 PolarHBondContact ND2-OG1 2.91Å; N302-T356 PolarHBondContact O-N 2.99Å; Y303-T356 WeakPolarHBondContact CA-O 3.29Å; Y303-T356 HydrophobicContact CD1-CG2 4.02Å; Y303-T356 HydrophobicContact CE1-CG2 3.73Å; L304-T356 PolarHBondContact N-O 2.86Å; L304-T356 VanDerWaalsContact N-O 3.15Å; T356-K373 WeakPolarHBondContact CG2-O 3.47Å; T356-V375 HydrophobicContact CG2-CG2 3.87Å
357P97Very high90.9Very high5 Ų543.8 Ų43.83%0.03222%0.221CC..EExtended strand (participates in β ladder)trans-72134.2177.828.8-31.7000110L306 L345 F355 Y359 T371 A374 V375L306-P357 HydrophobicContact CD1-CB 3.76Å; L306-P357 HydrophobicContact CG-CB 4.46Å; L345-P357 HydrophobicContact CD2-CB 4.42Å; F355-P357 HydrophobicContact CE2-CB 3.96Å; P357-Y359 HydrophobicContact CB-CD2 4.41Å; P357-Y359 HydrophobicContact CB-CE2 3.57Å; P357-Y359 HydrophobicContact CG-CE2 3.92Å; P357-T371 HydrophobicContact CG-CG2 3.78Å; P357-A374 WeakPolarHBondContact O-CA 3.42Å; P357-V375 PolarHBondContact O-N 3.25Å
358V98.5Very high90.9Very high2 Ų244.4 Ų44.41%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-108.9139.5168.5-166.40000107.9Y303 L304 H305 L306 V375 I399Y303-V358 HydrophobicContact CD2-CG2 3.67Å; Y303-V358 HydrophobicContact CE2-CG2 4.39Å; Y303-V358 HydrophobicContact CG-CG2 3.82Å; L304-V358 PolarHBondContact O-N 2.97Å; H305-V358 WeakPolarHBondContact CA-O 3.3Å; H305-V358 HydrophobicContact CB-CB 4.29Å; H305-V358 WeakPolarHBondContact CD2-CG1 3.42Å; L306-V358 PolarHBondContact N-O 2.8Å; V358-V375 WeakPolarHBondContact CA-O 3.34Å; V358-V375 HydrophobicContact CG1-CB 4.16Å; V358-V375 HydrophobicContact CG1-CG1 4.26Å; V358-V375 HydrophobicContact CG2-CB 4.19Å; V358-I399 HydrophobicContact CG1-CD1 4.29Å
359Y98.6Very high91Very high0 Ų051.7 Ų51.70%026%0.263CS..EExtended strand (participates in β ladder)trans-134.1151.6178.4-57.1-81.9000110.5L306 G307 F341 P357 A363 V367 A374 V375 F376 Q377L306-Y359 HydrophobicContact CB-CD1 3.86Å; L306-Y359 HydrophobicContact CB-CE1 3.54Å; L306-Y359 HydrophobicContact CD1-CE1 3.71Å; L306-Y359 WeakPolarHBondContact CD1-OH 3.26Å; L306-Y359 HydrophobicContact CG-CE1 4.21Å; G307-Y359 WeakPolarHBondContact O-CA 3.43Å; F341-Y359 HydrophobicContact CD1-CD1 4.27Å; F341-Y359 AromaticContact CD1-CE1 3.58Å; F341-Y359 HydrophobicContact CD1-CE1 3.58Å; F341-Y359 AromaticContact CE1-CD1 3.86Å; F341-Y359 HydrophobicContact CE1-CD1 3.86Å; F341-Y359 AromaticContact CE1-CE1 3.59Å; F341-Y359 HydrophobicContact CE1-CE1 3.59Å; F341-Y359 HydrophobicContact CG-CE1 4.49Å; F341-Y359 HydrophobicContact CZ-CD1 4.41Å; F341-Y359 HydrophobicContact CZ-CE1 4.49Å; P357-Y359 HydrophobicContact CB-CD2 4.41Å; P357-Y359 HydrophobicContact CB-CE2 3.57Å; P357-Y359 HydrophobicContact CG-CE2 3.92Å; Y359-A363 HydrophobicContact CD1-CB 4.22Å; Y359-A363 HydrophobicContact CG-CB 4.2Å; Y359-V367 HydrophobicContact CD2-CG2 3.76Å; Y359-V367 HydrophobicContact CE1-CG1 4.44Å; Y359-V367 HydrophobicContact CE2-CB 4.3Å; Y359-V367 HydrophobicContact CE2-CG2 3.81Å; Y359-V367 HydrophobicContact CG-CG2 4.19Å; Y359-A374 HydrophobicContact CD2-CB 4.21Å; Y359-A374 HydrophobicContact CE2-CB 4.1Å; Y359-V375 PolarHBondContact N-O 2.91Å; Y359-F376 HydrophobicContact CD2-CE1 4.06Å; Y359-F376 CarbonylContact O-C 3.58Å; Y359-F376 WeakPolarHBondContact O-CA 3.27Å; Y359-Q377 PolarHBondContact O-N 2.88Å
360W98.5Very high92.1Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-60.9144.2158.8-63.5119000109.9L157 E239 H305 G307 D309 D362 A363 Q377 W379 W445L157-W360 HydrophobicContact CD1-CH2 3.67Å; L157-W360 HydrophobicContact CD1-CZ2 3.68Å; E239-W360 PolarHBondContact OE1-NE1 3.48Å; H305-W360 AromaticContact CE1-CD1 3.69Å; H305-W360 AromaticContact CE1-CD2 3.79Å; H305-W360 AromaticContact CE1-CE2 3.57Å; H305-W360 AromaticContact CE1-CG 3.83Å; H305-W360 AromaticContact CE1-NE1 3.48Å; H305-W360 PolarHBondContact CE1-NE1 2.8Å; G307-W360 PolarHBondContact O-N 3.37Å; D309-W360 HydrophobicContact CB-CB 3.73Å; D309-W360 HydrophobicContact CB-CG 3.72Å; D309-W360 VanDerWaalsContact CG-CD1 3.4Å; W360-D362 PolarHBondContact O-N 3.12Å; W360-A363 WeakPolarHBondContact O-CB 3.39Å; W360-A363 PolarHBondContact O-N 3.23Å; W360-Q377 HydrophobicContact CE3-CB 3.78Å; W360-Q377 HydrophobicContact CE3-CG 3.75Å; W360-Q377 HydrophobicContact CH2-CG 4.26Å; W360-Q377 HydrophobicContact CZ3-CB 3.98Å; W360-Q377 HydrophobicContact CZ3-CG 3.41Å; W360-Q377 VanDerWaalsContact CZ3-CG 3.41Å; W360-W379 AromaticContact CD2-CD1 4Å; W360-W379 HydrophobicContact CE3-CB 3.75Å; W360-W379 AromaticContact CE3-CD1 3.48Å; W360-W379 VanDerWaalsContact CE3-CD1 3.48Å; W360-W379 AromaticContact CE3-CG 3.82Å; W360-W379 HydrophobicContact CE3-CG 3.82Å; W360-W379 HydrophobicContact CZ3-CB 3.7Å; W360-W379 HydrophobicContact CZ3-CG 4.19Å; W360-W445 HydrophobicContact CH2-CH2 4.07Å; W360-W445 AromaticContact CH2-CZ2 3.78Å; W360-W445 HydrophobicContact CH2-CZ2 3.78Å; W360-W445 AromaticContact CZ2-CH2 3.49Å; W360-W445 HydrophobicContact CZ2-CH2 3.49Å; W360-W445 VanDerWaalsContact CZ2-CH2 3.49Å; W360-W445 AromaticContact CZ2-CZ2 3.67Å; W360-W445 HydrophobicContact CZ2-CZ2 3.67Å
361H97.3Very high93Very high15 Ų1543.3 Ų43.37%0.06922%0.218CC..G310 helixtrans-61.8-17.2-175.373.5-64.8000114.3A363 F364 Q377 V378 W379 K380 D387 I391H361-A363 PolarHBondContact O-N 3.19Å; H361-F364 WeakPolarHBondContact O-CB 3.37Å; H361-F364 PolarHBondContact O-N 3.3Å; H361-Q377 PolarHBondContact N-O 3.24Å; H361-Q377 PolarHBondContact ND1-O 2.78Å; H361-V378 HydrophobicContact CB-CG2 4.04Å; H361-W379 AromaticContact CE1-CD1 3.33Å; H361-W379 AromaticContact CE1-CG 3.88Å; H361-W379 AromaticContact CE1-NE1 3.44Å; H361-W379 PolarHBondContact CE1-NE1 3.4Å; H361-W379 AromaticContact ND1-CD1 3.2Å; H361-W379 AromaticContact ND1-CG 3.96Å; H361-W379 PolarHBondContact ND1-N 3.46Å; H361-W379 AromaticContact ND1-NE1 3.65Å; H361-K380 PolarHBondContact CE1-N 3.12Å; H361-K380 WeakPolarHBondContact NE2-CD 3.32Å; H361-D387 IonicContact CD2-OD2 2.86Å; H361-D387 IonicContact NE2-OD2 3.83Å; H361-I391 HydrophobicContact CB-CD1 3.88Å
362D95.8Very high93.7Very high33 Ų3343.2 Ų43.218%0.17623%0.231CC..G310 helixtrans-51.1-38.2167.6-73.4-101.1000112.6G308 W360 F364 Y366 W379 K380G308-D362 WeakPolarHBondContact O-CB 3.33Å; W360-D362 PolarHBondContact O-N 3.12Å; D362-F364 PolarHBondContact O-N 3.07Å; D362-Y366 VanDerWaalsContact O-CE2 3.25Å; D362-Y366 WeakPolarHBondContact O-CE2 3.35Å; D362-W379 PolarHBondContact OD2-NE1 2.58Å; D362-K380 VanDerWaalsContact CG-NZ 3.31Å; D362-K380 WeakPolarHBondContact OD1-CE 3.35Å; D362-K380 IonicContact OD1-NZ 3.27Å; D362-K380 PolarHBondContact OD1-NZ 3.35Å; D362-K380 WeakPolarHBondContact OD2-CE 3.13Å; D362-K380 IonicContact OD2-NZ 3.7Å; D362-K380 PolarHBondContact OD2-NZ 2.94Å
363A96.1Very high94Very high0 Ų046 Ų460%024%0.238CC..G310 helixtrans-71.8-15.7-179.100000113.1F341 Y359 W360 H361 Q365 Y366 V367F341-A363 HydrophobicContact CE2-CB 4.13Å; F341-A363 HydrophobicContact CZ-CB 4.18Å; Y359-A363 HydrophobicContact CD1-CB 4.22Å; Y359-A363 HydrophobicContact CG-CB 4.2Å; W360-A363 WeakPolarHBondContact O-CB 3.39Å; W360-A363 PolarHBondContact O-N 3.23Å; H361-A363 PolarHBondContact O-N 3.19Å; A363-Q365 PolarHBondContact O-N 3.05Å; A363-Y366 WeakPolarHBondContact O-CD2 3.47Å; A363-Y366 PolarHBondContact O-N 3.13Å; A363-V367 HydrophobicContact CB-CG1 4.36Å; A363-V367 HydrophobicContact CB-CG2 4.29Å; A363-V367 WeakPolarHBondContact O-CG2 3.37Å; A363-V367 PolarHBondContact O-N 2.8Å; A363-V367 VanDerWaalsContact O-N 3.11Å
364F96.4Very high94.2Very high33 Ų3342.6 Ų42.615%0.14523%0.226CC..Hα-helixtrans-50-53.9-166.5176.2-107.2000113.1H361 D362 Y366 V367 V368 F376 V390 I391 S394H361-F364 WeakPolarHBondContact O-CB 3.37Å; H361-F364 PolarHBondContact O-N 3.3Å; D362-F364 PolarHBondContact O-N 3.07Å; F364-Y366 PolarHBondContact O-N 3.08Å; F364-Y366 VanDerWaalsContact O-N 3.1Å; F364-V367 PolarHBondContact O-N 3.39Å; F364-V368 HydrophobicContact CD2-CB 4.23Å; F364-V368 HydrophobicContact CD2-CG2 4.34Å; F364-V368 HydrophobicContact CE2-CB 3.96Å; F364-V368 HydrophobicContact CE2-CG2 3.6Å; F364-V368 HydrophobicContact CZ-CB 4.23Å; F364-V368 HydrophobicContact CZ-CG2 3.74Å; F364-V368 VanDerWaalsContact O-CB 3.24Å; F364-V368 WeakPolarHBondContact O-CB 3.46Å; F364-V368 WeakPolarHBondContact O-CG1 3.4Å; F364-V368 PolarHBondContact O-N 3.39Å; F364-F376 HydrophobicContact CB-CD1 4.15Å; F364-F376 HydrophobicContact CB-CE1 4.05Å; F364-F376 HydrophobicContact CD2-CD1 4.12Å; F364-F376 AromaticContact CD2-CD2 3.91Å; F364-F376 HydrophobicContact CD2-CD2 3.91Å; F364-F376 AromaticContact CD2-CE1 3.88Å; F364-F376 HydrophobicContact CD2-CE1 3.88Å; F364-F376 AromaticContact CD2-CE2 3.64Å; F364-F376 HydrophobicContact CD2-CE2 3.64Å; F364-F376 HydrophobicContact CD2-CG 4.13Å; F364-F376 AromaticContact CD2-CZ 3.62Å; F364-F376 HydrophobicContact CD2-CZ 3.62Å; F364-F376 HydrophobicContact CE2-CD2 4.38Å; F364-F376 HydrophobicContact CE2-CE2 4.03Å; F364-F376 HydrophobicContact CE2-CZ 4.34Å; F364-F376 HydrophobicContact CG-CE1 4.47Å; F364-V390 HydrophobicContact CD1-CG1 4.48Å; F364-V390 HydrophobicContact CE1-CG1 3.7Å; F364-V390 HydrophobicContact CZ-CG1 4.24Å; F364-I391 HydrophobicContact CD1-CG1 4.43Å; F364-I391 HydrophobicContact CD2-CB 4.43Å; F364-I391 HydrophobicContact CD2-CG1 3.72Å; F364-I391 HydrophobicContact CD2-CG2 4.29Å; F364-I391 HydrophobicContact CE2-CB 4.13Å; F364-I391 HydrophobicContact CE2-CG1 3.83Å; F364-I391 HydrophobicContact CE2-CG2 4.04Å; F364-I391 HydrophobicContact CG-CG1 4.03Å; F364-I391 HydrophobicContact CZ-CG1 4.23Å; F364-S394 WeakPolarHBondContact CE2-OG 3.46Å
365Q93.6Very high94.5Very high118 Ų11837 Ų3755%0.55120%0.196SC*.Hα-helixtrans-63-20.8-177.164.1-175.8-8.300114.2M334 A363M334-Q365 HydrophobicContact CE-CG 4.12Å; A363-Q365 PolarHBondContact O-N 3.05Å
366Y93.5Very high94.7Very high15 Ų1535.8 Ų35.86%0.05919%0.191CC..Hα-helixtrans-94.2-28.2-179.2-43.9-75.9000112.7Q313 M334 I337 D362 A363 F364Q313-Y366 PolarHBondContact NE2-OH 3.46Å; M334-Y366 HydrophobicContact CB-CE1 4.21Å; M334-Y366 HydrophobicContact CE-CD1 3.98Å; M334-Y366 HydrophobicContact CE-CE1 3.28Å; M334-Y366 HydrophobicContact CG-CE1 4.41Å; M334-Y366 HydrophobicContact SD-CE1 3.4Å; M334-Y366 WeakPolarHBondContact SD-CE1 3.35Å; I337-Y366 HydrophobicContact CB-CD1 3.81Å; I337-Y366 HydrophobicContact CB-CD2 4.41Å; I337-Y366 HydrophobicContact CB-CE1 3.95Å; I337-Y366 HydrophobicContact CB-CG 4.04Å; I337-Y366 HydrophobicContact CD1-CD1 4.38Å; I337-Y366 HydrophobicContact CD1-CE1 3.63Å; I337-Y366 HydrophobicContact CD1-CE2 4.1Å; I337-Y366 VanDerWaalsContact CD1-CZ 3.49Å; I337-Y366 WeakPolarHBondContact CD1-OH 3.45Å; I337-Y366 HydrophobicContact CG1-CE1 4.37Å; I337-Y366 HydrophobicContact CG2-CD1 3.74Å; I337-Y366 HydrophobicContact CG2-CD2 3.49Å; I337-Y366 VanDerWaalsContact CG2-CD2 3.49Å; I337-Y366 HydrophobicContact CG2-CE1 4.05Å; I337-Y366 HydrophobicContact CG2-CE2 3.87Å; I337-Y366 HydrophobicContact CG2-CG 3.42Å; I337-Y366 VanDerWaalsContact CG2-CG 3.42Å; D362-Y366 VanDerWaalsContact O-CE2 3.25Å; D362-Y366 WeakPolarHBondContact O-CE2 3.35Å; A363-Y366 WeakPolarHBondContact O-CD2 3.47Å; A363-Y366 PolarHBondContact O-N 3.13Å; F364-Y366 PolarHBondContact O-N 3.08Å; F364-Y366 VanDerWaalsContact O-N 3.1Å
367V94.7Very high94.9Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-114.8-11.4-170.3-49.30000114.6F341 Y359 A363 F364 N369 L370 F376F341-V367 HydrophobicContact CB-CG1 3.54Å; F341-V367 HydrophobicContact CD1-CG1 4.09Å; F341-V367 HydrophobicContact CD2-CG1 3.42Å; F341-V367 VanDerWaalsContact CD2-CG1 3.42Å; F341-V367 HydrophobicContact CE2-CG1 4.12Å; F341-V367 HydrophobicContact CG-CG1 3.4Å; F341-V367 VanDerWaalsContact CG-CG1 3.4Å; Y359-V367 HydrophobicContact CD2-CG2 3.76Å; Y359-V367 HydrophobicContact CE1-CG1 4.44Å; Y359-V367 HydrophobicContact CE2-CB 4.3Å; Y359-V367 HydrophobicContact CE2-CG2 3.81Å; Y359-V367 HydrophobicContact CG-CG2 4.19Å; A363-V367 HydrophobicContact CB-CG1 4.36Å; A363-V367 HydrophobicContact CB-CG2 4.29Å; A363-V367 WeakPolarHBondContact O-CG2 3.37Å; A363-V367 PolarHBondContact O-N 2.8Å; A363-V367 VanDerWaalsContact O-N 3.11Å; F364-V367 PolarHBondContact O-N 3.39Å; V367-N369 PolarHBondContact O-N 2.91Å; V367-L370 HydrophobicContact CB-CD1 4.1Å; V367-L370 HydrophobicContact CG1-CD1 4.07Å; V367-L370 WeakPolarHBondContact O-CB 3.43Å; V367-L370 PolarHBondContact O-N 2.95Å; V367-F376 HydrophobicContact CG2-CE1 3.44Å; V367-F376 VanDerWaalsContact CG2-CE1 3.44Å; V367-F376 HydrophobicContact CG2-CZ 3.64Å
368V93Very high94.9Very high28 Ų2834.7 Ų34.717%0.1718%0.184CC..THydrogen-bonded Turntrans-53.2-31.7-178.164.60000113.5F364F364-V368 HydrophobicContact CD2-CB 4.23Å; F364-V368 HydrophobicContact CD2-CG2 4.34Å; F364-V368 HydrophobicContact CE2-CB 3.96Å; F364-V368 HydrophobicContact CE2-CG2 3.6Å; F364-V368 HydrophobicContact CZ-CB 4.23Å; F364-V368 HydrophobicContact CZ-CG2 3.74Å; F364-V368 VanDerWaalsContact O-CB 3.24Å; F364-V368 WeakPolarHBondContact O-CB 3.46Å; F364-V368 WeakPolarHBondContact O-CG1 3.4Å; F364-V368 PolarHBondContact O-N 3.39Å
369N92Very high94.9Very high156 Ų15636 Ų3683%0.83419%0.189SC*.THydrogen-bonded Turntrans-96.1-2.1179.3-65.9-38.3000113.9V367V367-N369 PolarHBondContact O-N 2.91Å
370L91Very high94.8Very high59 Ų5939.7 Ų39.731%0.30920%0.204SC..THydrogen-bonded Turntrans-85.2-32-178.5-61.3-177.1000112.3F341 K342 L345 V367F341-L370 HydrophobicContact CB-CD1 3.75Å; K342-L370 HydrophobicContact CB-CD1 4.4Å; K342-L370 HydrophobicContact CB-CD2 4.24Å; L345-L370 HydrophobicContact CD1-CB 4.07Å; L345-L370 HydrophobicContact CD1-CD1 4.32Å; V367-L370 HydrophobicContact CB-CD1 4.1Å; V367-L370 HydrophobicContact CG1-CD1 4.07Å; V367-L370 WeakPolarHBondContact O-CB 3.43Å; V367-L370 PolarHBondContact O-N 2.95Å
371T86.8Confident94.5Very high34 Ų3443.9 Ų43.921%0.20923%0.227CC..  trans-157.1130.9179.7-179.70000111.6P357 K373 A374 H396P357-T371 HydrophobicContact CG-CG2 3.78Å; T371-K373 PolarHBondContact O-N 3.46Å; T371-K373 PolarHBondContact OG1-N 2.97Å; T371-A374 HydrophobicContact CG2-CB 3.88Å; T371-H396 PolarHBondContact O-NE2 3.28Å
372S88.3Confident94.2Very high109 Ų10949.3 Ų49.376%0.76226%0.256SS*.THydrogen-bonded Turntrans-75.7-217567.40000113.6
373K89.5Confident93.8Very high122 Ų12253.9 Ų53.953%0.5328%0.281SS..THydrogen-bonded Turntrans-96.9-4.5-179-64.3-174.4179.6-178.70112.9T356 T371T356-K373 WeakPolarHBondContact CG2-O 3.47Å; T371-K373 PolarHBondContact O-N 3.46Å; T371-K373 PolarHBondContact OG1-N 2.97Å
374A96.5Very high93.7Very high2 Ų255.5 Ų55.52%0.01729%0.288CS..  trans-61.9144.4-174.100000112.8P357 Y359 T371 F376 H396P357-A374 WeakPolarHBondContact O-CA 3.42Å; Y359-A374 HydrophobicContact CD2-CB 4.21Å; Y359-A374 HydrophobicContact CE2-CB 4.1Å; T371-A374 HydrophobicContact CG2-CB 3.88Å; A374-F376 HydrophobicContact CB-CE2 3.76Å; A374-F376 HydrophobicContact CB-CZ 3.81Å; A374-H396 PolarHBondContact O-CD2 2.57Å
375V98.3Very high93.6Very high3 Ų357.3 Ų57.32%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-109.2138.9166.2-175.80000107.7Y303 T356 P357 V358 Y359 A397 I399 I438Y303-V375 HydrophobicContact CE1-CG2 4.41Å; Y303-V375 HydrophobicContact CE2-CG2 4.12Å; T356-V375 HydrophobicContact CG2-CG2 3.87Å; P357-V375 PolarHBondContact O-N 3.25Å; V358-V375 WeakPolarHBondContact CA-O 3.34Å; V358-V375 HydrophobicContact CG1-CB 4.16Å; V358-V375 HydrophobicContact CG1-CG1 4.26Å; V358-V375 HydrophobicContact CG2-CB 4.19Å; Y359-V375 PolarHBondContact N-O 2.91Å; V375-A397 WeakPolarHBondContact CA-O 3.37Å; V375-A397 HydrophobicContact CG1-CB 4.29Å; V375-A397 HydrophobicContact CG2-CB 4.17Å; V375-I399 HydrophobicContact CG1-CD1 3.66Å; V375-I399 HydrophobicContact CG1-CG1 3.83Å; V375-I438 HydrophobicContact CG1-CD1 4.01Å
376F98.6Very high93.7Very high0 Ų058.7 Ų58.70%030%0.295CS..EExtended strand (participates in β ladder)trans-116.7134.5178.5-63.8-82.3000111.6Y359 F364 V367 A374 I391 H396 A397 V398 I399Y359-F376 HydrophobicContact CD2-CE1 4.06Å; Y359-F376 CarbonylContact O-C 3.58Å; Y359-F376 WeakPolarHBondContact O-CA 3.27Å; F364-F376 HydrophobicContact CB-CD1 4.15Å; F364-F376 HydrophobicContact CB-CE1 4.05Å; F364-F376 HydrophobicContact CD2-CD1 4.12Å; F364-F376 AromaticContact CD2-CD2 3.91Å; F364-F376 HydrophobicContact CD2-CD2 3.91Å; F364-F376 AromaticContact CD2-CE1 3.88Å; F364-F376 HydrophobicContact CD2-CE1 3.88Å; F364-F376 AromaticContact CD2-CE2 3.64Å; F364-F376 HydrophobicContact CD2-CE2 3.64Å; F364-F376 HydrophobicContact CD2-CG 4.13Å; F364-F376 AromaticContact CD2-CZ 3.62Å; F364-F376 HydrophobicContact CD2-CZ 3.62Å; F364-F376 HydrophobicContact CE2-CD2 4.38Å; F364-F376 HydrophobicContact CE2-CE2 4.03Å; F364-F376 HydrophobicContact CE2-CZ 4.34Å; F364-F376 HydrophobicContact CG-CE1 4.47Å; V367-F376 HydrophobicContact CG2-CE1 3.44Å; V367-F376 VanDerWaalsContact CG2-CE1 3.44Å; V367-F376 HydrophobicContact CG2-CZ 3.64Å; A374-F376 HydrophobicContact CB-CE2 3.76Å; A374-F376 HydrophobicContact CB-CZ 3.81Å; F376-I391 HydrophobicContact CB-CD1 3.92Å; F376-I391 HydrophobicContact CB-CG2 4Å; F376-I391 HydrophobicContact CD2-CG2 3.54Å; F376-I391 HydrophobicContact CE2-CG2 4.41Å; F376-I391 HydrophobicContact CG-CG2 4.06Å; F376-H396 HydrophobicContact CD2-CB 3.79Å; F376-H396 HydrophobicContact CE2-CB 3.77Å; F376-H396 AromaticContact CE2-CD2 3.93Å; F376-H396 AromaticContact CE2-CG 3.69Å; F376-A397 PolarHBondContact N-O 2.8Å; F376-V398 WeakPolarHBondContact O-CA 3.25Å; F376-I399 PolarHBondContact O-N 3.3Å
377Q98.7Very high93.8Very high0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-100.3112.3176.7-168.3163.1-16.400110.5H305 Y359 W360 H361 I399 E441H305-Q377 PolarHBondContact NE2-OE1 3.06Å; Y359-Q377 PolarHBondContact O-N 2.88Å; W360-Q377 HydrophobicContact CE3-CB 3.78Å; W360-Q377 HydrophobicContact CE3-CG 3.75Å; W360-Q377 HydrophobicContact CH2-CG 4.26Å; W360-Q377 HydrophobicContact CZ3-CB 3.98Å; W360-Q377 HydrophobicContact CZ3-CG 3.41Å; W360-Q377 VanDerWaalsContact CZ3-CG 3.41Å; H361-Q377 PolarHBondContact N-O 3.24Å; H361-Q377 PolarHBondContact ND1-O 2.78Å; Q377-I399 CarbonylContact C-O 3.57Å; Q377-I399 VanDerWaalsContact CA-O 3.31Å; Q377-I399 WeakPolarHBondContact CA-O 3.27Å; Q377-I399 HydrophobicContact CB-CB 4.39Å; Q377-I399 HydrophobicContact CG-CB 4.21Å; Q377-I399 HydrophobicContact CG-CG2 3.95Å; Q377-E441 PolarHBondContact NE2-OE2 3.39Å; Q377-E441 PolarHBondContact OE1-OE2 2.91Å
378V98.5Very high93.8Very high0 Ų059.9 Ų59.90%030%0.302CS..EExtended strand (participates in β ladder)trans-88.9116.2-179.2-1780000109H361 F384 D387 V388 I391 V398 I399 L400 S401 S402H361-V378 HydrophobicContact CB-CG2 4.04Å; V378-F384 HydrophobicContact CG1-CB 3.72Å; V378-D387 HydrophobicContact CG1-CB 3.98Å; V378-D387 HydrophobicContact CG2-CB 4.39Å; V378-V388 HydrophobicContact CB-CG2 4.23Å; V378-V388 HydrophobicContact CG1-CG2 4.27Å; V378-V388 HydrophobicContact CG2-CG2 4.01Å; V378-I391 HydrophobicContact CG2-CD1 3.56Å; V378-V398 HydrophobicContact CG2-CG1 3.82Å; V378-I399 PolarHBondContact N-O 2.96Å; V378-L400 HydrophobicContact CB-CD1 4.18Å; V378-L400 HydrophobicContact CG1-CD1 4.29Å; V378-S401 PolarHBondContact O-N 2.96Å; V378-S401 PolarHBondContact O-OG 2.87Å; V378-S402 PolarHBondContact O-N 3.46Å; V378-S402 VanDerWaalsContact O-N 3.08Å; V378-S402 PolarHBondContact O-OG 3.14Å; V378-S402 VanDerWaalsContact O-OG 3.1Å
379W97.8Very high94Very high30 Ų3059.2 Ų59.211%0.11430%0.297CS..  trans-127.2-25.2-167.278.1-100.1000114.3D309 E310 W360 H361 D362 L381 S401 S402 Y405D309-W379 HydrophobicContact CB-CZ2 4.42Å; E310-W379 HydrophobicContact CG-CH2 4.09Å; E310-W379 HydrophobicContact CG-CZ2 3.87Å; E310-W379 WeakPolarHBondContact OE1-CH2 3.26Å; W360-W379 AromaticContact CD2-CD1 4Å; W360-W379 HydrophobicContact CE3-CB 3.75Å; W360-W379 AromaticContact CE3-CD1 3.48Å; W360-W379 VanDerWaalsContact CE3-CD1 3.48Å; W360-W379 AromaticContact CE3-CG 3.82Å; W360-W379 HydrophobicContact CE3-CG 3.82Å; W360-W379 HydrophobicContact CZ3-CB 3.7Å; W360-W379 HydrophobicContact CZ3-CG 4.19Å; H361-W379 AromaticContact CE1-CD1 3.33Å; H361-W379 AromaticContact CE1-CG 3.88Å; H361-W379 AromaticContact CE1-NE1 3.44Å; H361-W379 PolarHBondContact CE1-NE1 3.4Å; H361-W379 AromaticContact ND1-CD1 3.2Å; H361-W379 AromaticContact ND1-CG 3.96Å; H361-W379 PolarHBondContact ND1-N 3.46Å; H361-W379 AromaticContact ND1-NE1 3.65Å; D362-W379 PolarHBondContact OD2-NE1 2.58Å; W379-L381 PolarHBondContact O-N 3.24Å; W379-S401 WeakPolarHBondContact CB-OG 3.5Å; W379-S402 WeakPolarHBondContact CA-OG 3.43Å; W379-S402 PolarHBondContact N-OG 2.88Å; W379-S402 WeakPolarHBondContact O-CA 3.44Å; W379-S402 PolarHBondContact O-OG 2.84Å; W379-Y405 HydrophobicContact CB-CE2 4.04Å; W379-Y405 WeakPolarHBondContact CB-OH 3Å; W379-Y405 AromaticContact CE3-CE1 3.92Å; W379-Y405 HydrophobicContact CE3-CE1 3.92Å; W379-Y405 HydrophobicContact CE3-CE2 4.45Å; W379-Y405 AromaticContact CE3-CZ 3.57Å; W379-Y405 HydrophobicContact CZ3-CE1 4.3Å
380K95.5Very high94.1Very high76 Ų7653.5 Ų53.533%0.3327%0.268SS..  trans-62.3138.5178.6-82.6172.6-161.7164.40110.1H361 D362 N382 S402H361-K380 PolarHBondContact CE1-N 3.12Å; H361-K380 WeakPolarHBondContact NE2-CD 3.32Å; D362-K380 VanDerWaalsContact CG-NZ 3.31Å; D362-K380 WeakPolarHBondContact OD1-CE 3.35Å; D362-K380 IonicContact OD1-NZ 3.27Å; D362-K380 PolarHBondContact OD1-NZ 3.35Å; D362-K380 WeakPolarHBondContact OD2-CE 3.13Å; D362-K380 IonicContact OD2-NZ 3.7Å; D362-K380 PolarHBondContact OD2-NZ 2.94Å; K380-N382 VanDerWaalsContact C-N 3.32Å; K380-N382 PolarHBondContact O-N 3.17Å; K380-S402 WeakPolarHBondContact O-CB 3.49Å; K380-S402 PolarHBondContact O-OG 3.14Å
381L92.2Very high94.4Very high89 Ų8950.9 Ų50.947%0.46626%0.255SS..SBendtrans-74-23.7-173.9-56.3-175.2000113.4W379 F384 S402 F408W379-L381 PolarHBondContact O-N 3.24Å; L381-F384 WeakPolarHBondContact O-CD1 3.44Å; L381-S402 WeakPolarHBondContact CD2-O 3.43Å; L381-F408 HydrophobicContact CD1-CD2 4.25Å; L381-F408 HydrophobicContact CD1-CE2 3.89Å
382N90.7Very high94.8Very high128 Ų12849.4 Ų49.468%0.68425%0.246SC*.SBendtrans-97.2138.7-176.7-62.9-27.7000110.3K380 F384K380-N382 VanDerWaalsContact C-N 3.32Å; K380-N382 PolarHBondContact O-N 3.17Å; N382-F384 PolarHBondContact O-N 3Å
383D88.8Confident95.1Very high130 Ų13050.6 Ų50.670%0.69523%0.233SC*.SBendtrans51.423173.2-59.3-38.7000116W385 Y386 D387D383-W385 PolarHBondContact O-N 3.15Å; D383-Y386 WeakPolarHBondContact O-CA 3.28Å; D383-Y386 VanDerWaalsContact O-CB 3.24Å; D383-Y386 WeakPolarHBondContact O-CB 3.22Å; D383-Y386 PolarHBondContact O-N 3Å; D383-D387 PolarHBondContact O-N 3.5Å
384F94.3Very high95.3Very high34 Ų3447.2 Ų47.215%0.14923%0.225CC..Hα-helixtrans-57.8-27.4-175.961-92000114V378 L381 N382 Y386 D387 V388 L400 S402 C403V378-F384 HydrophobicContact CG1-CB 3.72Å; L381-F384 WeakPolarHBondContact O-CD1 3.44Å; N382-F384 PolarHBondContact O-N 3Å; F384-Y386 VanDerWaalsContact C-N 3.32Å; F384-Y386 PolarHBondContact O-N 2.91Å; F384-D387 PolarHBondContact O-N 2.85Å; F384-V388 WeakPolarHBondContact O-CB 3.45Å; F384-V388 WeakPolarHBondContact O-CG2 3.25Å; F384-V388 PolarHBondContact O-N 3.34Å; F384-L400 HydrophobicContact CB-CD1 4.45Å; F384-L400 HydrophobicContact CD2-CD1 3.7Å; F384-L400 HydrophobicContact CD2-CD2 4.41Å; F384-L400 HydrophobicContact CE2-CD1 4.33Å; F384-L400 HydrophobicContact CE2-CD2 4.27Å; F384-L400 HydrophobicContact CG-CD1 4.39Å; F384-S402 VanDerWaalsContact CB-OG 3.29Å; F384-S402 WeakPolarHBondContact CB-OG 3.35Å; F384-C403 VanDerWaalsContact CZ-SG 3.52Å
385W93.7Very high95.3Very high71 Ų7149.2 Ų49.227%0.26925%0.246SC..Hα-helixtrans-66.5-32.7172.4-68.4134000113.6D383 V388 D389 L400 D422 P423 A425 L426D383-W385 PolarHBondContact O-N 3.15Å; W385-V388 HydrophobicContact CE3-CB 4.33Å; W385-V388 HydrophobicContact CE3-CG2 4.13Å; W385-V388 HydrophobicContact CZ3-CG2 4.32Å; W385-D389 WeakPolarHBondContact O-CB 3.48Å; W385-D389 PolarHBondContact O-N 2.65Å; W385-L400 HydrophobicContact CH2-CD2 3.51Å; W385-L400 HydrophobicContact CZ2-CD2 4.5Å; W385-L400 HydrophobicContact CZ3-CD2 3.78Å; W385-D422 WeakPolarHBondContact CH2-O 3.41Å; W385-D422 VanDerWaalsContact CZ2-O 3.22Å; W385-D422 WeakPolarHBondContact CZ2-O 3.43Å; W385-P423 VanDerWaalsContact CH2-CA 3.48Å; W385-P423 WeakPolarHBondContact CZ3-O 3.2Å; W385-A425 HydrophobicContact CZ2-CB 4.04Å; W385-L426 WeakPolarHBondContact O-CD1 3.35Å
386Y94.4Very high95.2Very high147 Ų14749.6 Ų49.658%0.57625%0.248SC*.Hα-helixtrans-66-45.3172.8174.1-95.7000110.4D383 F384 D389 V390D383-Y386 WeakPolarHBondContact O-CA 3.28Å; D383-Y386 VanDerWaalsContact O-CB 3.24Å; D383-Y386 WeakPolarHBondContact O-CB 3.22Å; D383-Y386 PolarHBondContact O-N 3Å; F384-Y386 VanDerWaalsContact C-N 3.32Å; F384-Y386 PolarHBondContact O-N 2.91Å; Y386-D389 WeakPolarHBondContact O-CB 3.48Å; Y386-D389 PolarHBondContact O-N 2.57Å; Y386-D389 VanDerWaalsContact O-N 3.15Å; Y386-V390 HydrophobicContact CD1-CG2 4.14Å; Y386-V390 HydrophobicContact CD2-CG2 4.47Å; Y386-V390 HydrophobicContact CE1-CG2 3.71Å; Y386-V390 HydrophobicContact CE2-CG2 4.07Å; Y386-V390 WeakPolarHBondContact O-CG2 3.47Å; Y386-V390 PolarHBondContact O-N 3.29Å
387D95.6Very high95.2Very high39 Ų3950.6 Ų50.621%0.20926%0.256CS..Hα-helixtrans-62.9-44.5177.6-63.9-41000111.8H361 V378 D383 F384 D389 V390 I391H361-D387 IonicContact CD2-OD2 2.86Å; H361-D387 IonicContact NE2-OD2 3.83Å; V378-D387 HydrophobicContact CG1-CB 3.98Å; V378-D387 HydrophobicContact CG2-CB 4.39Å; D383-D387 PolarHBondContact O-N 3.5Å; F384-D387 PolarHBondContact O-N 2.85Å; D387-D389 VanDerWaalsContact C-N 3.29Å; D387-D389 PolarHBondContact O-N 2.85Å; D387-V390 PolarHBondContact O-N 3.3Å; D387-I391 WeakPolarHBondContact O-CB 3.13Å; D387-I391 WeakPolarHBondContact O-CD1 3.14Å; D387-I391 WeakPolarHBondContact O-CG1 3.44Å; D387-I391 PolarHBondContact O-N 3.28Å
388V96.5Very high95.2Very high1 Ų150.6 Ų50.61%0.00626%0.256CS..Hα-helixtrans-55.9-44.5172.7172.60000110.8V378 F384 W385 T392 V398 L400 L426 I437V378-V388 HydrophobicContact CB-CG2 4.23Å; V378-V388 HydrophobicContact CG1-CG2 4.27Å; V378-V388 HydrophobicContact CG2-CG2 4.01Å; F384-V388 WeakPolarHBondContact O-CB 3.45Å; F384-V388 WeakPolarHBondContact O-CG2 3.25Å; F384-V388 PolarHBondContact O-N 3.34Å; W385-V388 HydrophobicContact CE3-CB 4.33Å; W385-V388 HydrophobicContact CE3-CG2 4.13Å; W385-V388 HydrophobicContact CZ3-CG2 4.32Å; V388-T392 HydrophobicContact CG1-CG2 4.39Å; V388-T392 WeakPolarHBondContact O-CB 3.43Å; V388-T392 VanDerWaalsContact O-CG2 3.26Å; V388-T392 WeakPolarHBondContact O-CG2 3.39Å; V388-T392 PolarHBondContact O-N 2.91Å; V388-T392 PolarHBondContact O-OG1 2.91Å; V388-V398 HydrophobicContact CG1-CG1 4.36Å; V388-V398 HydrophobicContact CG2-CG1 4.03Å; V388-L400 HydrophobicContact CG2-CD1 4.23Å; V388-L426 HydrophobicContact CG1-CD2 4.49Å; V388-I437 HydrophobicContact CG1-CD1 3.63Å; V388-I437 HydrophobicContact CG1-CG1 3.99Å
389D95.3Very high95.2Very high13 Ų1350.6 Ų50.67%0.0726%0.256CS..Hα-helixtrans-63.6-49.2178.1-160.416.3000111.2W385 Y386 D387 I391 T392 R393 L426 S428 Q433W385-D389 WeakPolarHBondContact O-CB 3.48Å; W385-D389 PolarHBondContact O-N 2.65Å; Y386-D389 WeakPolarHBondContact O-CB 3.48Å; Y386-D389 PolarHBondContact O-N 2.57Å; Y386-D389 VanDerWaalsContact O-N 3.15Å; D387-D389 VanDerWaalsContact C-N 3.29Å; D387-D389 PolarHBondContact O-N 2.85Å; D389-I391 VanDerWaalsContact C-N 3.35Å; D389-I391 PolarHBondContact O-N 2.99Å; D389-T392 PolarHBondContact O-N 2.72Å; D389-T392 PolarHBondContact O-OG1 2.89Å; D389-R393 VanDerWaalsContact O-CB 3.3Å; D389-R393 WeakPolarHBondContact O-CB 3.07Å; D389-R393 VanDerWaalsContact O-CG 3.23Å; D389-R393 WeakPolarHBondContact O-CG 3.49Å; D389-R393 PolarHBondContact O-N 2.83Å; D389-R393 IonicContact OD1-NE 3.14Å; D389-R393 PolarHBondContact OD1-NE 2.84Å; D389-R393 IonicContact OD2-CZ 3.48Å; D389-R393 IonicContact OD2-NE 2.99Å; D389-R393 PolarHBondContact OD2-NE 3.33Å; D389-R393 IonicContact OD2-NH2 3.58Å; D389-R393 PolarHBondContact OD2-NH2 3.48Å; D389-L426 HydrophobicContact CB-CD1 3.75Å; D389-L426 HydrophobicContact CB-CD2 4.32Å; D389-S428 PolarHBondContact OD2-OG 2.91Å; D389-Q433 PolarHBondContact OD1-NE2 2.65Å
390V95Very high95.2Very high37 Ų3749.2 Ų49.222%0.22425%0.251CS..Hα-helixtrans-58.2-46.8-179.4169.80000111.1F364 Y386 D387 R393 S394F364-V390 HydrophobicContact CD1-CG1 4.48Å; F364-V390 HydrophobicContact CE1-CG1 3.7Å; F364-V390 HydrophobicContact CZ-CG1 4.24Å; Y386-V390 HydrophobicContact CD1-CG2 4.14Å; Y386-V390 HydrophobicContact CD2-CG2 4.47Å; Y386-V390 HydrophobicContact CE1-CG2 3.71Å; Y386-V390 HydrophobicContact CE2-CG2 4.07Å; Y386-V390 WeakPolarHBondContact O-CG2 3.47Å; Y386-V390 PolarHBondContact O-N 3.29Å; D387-V390 PolarHBondContact O-N 3.3Å; V390-R393 PolarHBondContact O-N 3.38Å; V390-S394 PolarHBondContact O-N 3Å
391I96.7Very high95.3Very high4 Ų445.6 Ų45.62%0.02124%0.235CC..Hα-helixtrans-67-48.1-179.5-62.6160.5000110.5H361 F364 F376 V378 D387 D389 R393 S394 H396 V398H361-I391 HydrophobicContact CB-CD1 3.88Å; F364-I391 HydrophobicContact CD1-CG1 4.43Å; F364-I391 HydrophobicContact CD2-CB 4.43Å; F364-I391 HydrophobicContact CD2-CG1 3.72Å; F364-I391 HydrophobicContact CD2-CG2 4.29Å; F364-I391 HydrophobicContact CE2-CB 4.13Å; F364-I391 HydrophobicContact CE2-CG1 3.83Å; F364-I391 HydrophobicContact CE2-CG2 4.04Å; F364-I391 HydrophobicContact CG-CG1 4.03Å; F364-I391 HydrophobicContact CZ-CG1 4.23Å; F376-I391 HydrophobicContact CB-CD1 3.92Å; F376-I391 HydrophobicContact CB-CG2 4Å; F376-I391 HydrophobicContact CD2-CG2 3.54Å; F376-I391 HydrophobicContact CE2-CG2 4.41Å; F376-I391 HydrophobicContact CG-CG2 4.06Å; V378-I391 HydrophobicContact CG2-CD1 3.56Å; D387-I391 WeakPolarHBondContact O-CB 3.13Å; D387-I391 WeakPolarHBondContact O-CD1 3.14Å; D387-I391 WeakPolarHBondContact O-CG1 3.44Å; D387-I391 PolarHBondContact O-N 3.28Å; D389-I391 VanDerWaalsContact C-N 3.35Å; D389-I391 PolarHBondContact O-N 2.99Å; I391-R393 VanDerWaalsContact C-N 3.32Å; I391-R393 PolarHBondContact O-N 3.41Å; I391-S394 WeakPolarHBondContact O-CB 3.34Å; I391-S394 PolarHBondContact O-N 2.86Å; I391-S394 PolarHBondContact O-OG 2.7Å; I391-H396 HydrophobicContact CG2-CB 3.9Å; I391-V398 HydrophobicContact CB-CG2 3.75Å; I391-V398 HydrophobicContact CD1-CG2 4.43Å; I391-V398 HydrophobicContact CG2-CG2 3.41Å; I391-V398 VanDerWaalsContact CG2-CG2 3.41Å
392T96Very high95.6Very high3 Ų341.6 Ų41.62%0.01821%0.214CC..Hα-helixtrans-67.3-31.1-179.657.50000112.7V388 D389 S394 G395 V398 L436 I437V388-T392 HydrophobicContact CG1-CG2 4.39Å; V388-T392 WeakPolarHBondContact O-CB 3.43Å; V388-T392 VanDerWaalsContact O-CG2 3.26Å; V388-T392 WeakPolarHBondContact O-CG2 3.39Å; V388-T392 PolarHBondContact O-N 2.91Å; V388-T392 PolarHBondContact O-OG1 2.91Å; D389-T392 PolarHBondContact O-N 2.72Å; D389-T392 PolarHBondContact O-OG1 2.89Å; T392-S394 PolarHBondContact O-N 2.85Å; T392-G395 PolarHBondContact O-N 2.85Å; T392-V398 HydrophobicContact CG2-CB 4.32Å; T392-V398 HydrophobicContact CG2-CG2 3.71Å; T392-L436 HydrophobicContact CG2-CB 3.89Å; T392-L436 WeakPolarHBondContact O-CD1 3.18Å; T392-I437 HydrophobicContact CG2-CG1 3.99Å
393R94.5Very high95.7Very high134 Ų13436.5 Ų36.551%0.50619%0.189SC..Hα-helixtrans-60.6-30.6170.7-79.3-172.7-113.6127.7-4.9112.3D389 V390 I391 G395D389-R393 VanDerWaalsContact O-CB 3.3Å; D389-R393 WeakPolarHBondContact O-CB 3.07Å; D389-R393 VanDerWaalsContact O-CG 3.23Å; D389-R393 WeakPolarHBondContact O-CG 3.49Å; D389-R393 PolarHBondContact O-N 2.83Å; D389-R393 IonicContact OD1-NE 3.14Å; D389-R393 PolarHBondContact OD1-NE 2.84Å; D389-R393 IonicContact OD2-CZ 3.48Å; D389-R393 IonicContact OD2-NE 2.99Å; D389-R393 PolarHBondContact OD2-NE 3.33Å; D389-R393 IonicContact OD2-NH2 3.58Å; D389-R393 PolarHBondContact OD2-NH2 3.48Å; V390-R393 PolarHBondContact O-N 3.38Å; I391-R393 VanDerWaalsContact C-N 3.32Å; I391-R393 PolarHBondContact O-N 3.41Å; R393-G395 PolarHBondContact O-N 3.45Å
394S94.8Very high96.1Very high50 Ų5030.3 Ų30.335%0.3516%0.155SC..THydrogen-bonded Turntrans-79.6-1.8175.577.80000114.3F364 V390 I391 T392 H396F364-S394 WeakPolarHBondContact CE2-OG 3.46Å; V390-S394 PolarHBondContact O-N 3Å; I391-S394 WeakPolarHBondContact O-CB 3.34Å; I391-S394 PolarHBondContact O-N 2.86Å; I391-S394 PolarHBondContact O-OG 2.7Å; T392-S394 PolarHBondContact O-N 2.85Å; S394-H396 PolarHBondContact O-ND1 3.1Å; S394-H396 PolarHBondContact OG-ND1 3.35Å
395G95.2Very high96.2Very high45 Ų4529.3 Ų29.346%0.46415%0.151SC..THydrogen-bonded Turntrans894.1178.100000115.4T392 R393T392-G395 PolarHBondContact O-N 2.85Å; R393-G395 PolarHBondContact O-N 3.45Å
396H97.4Very high96.4Very high11 Ų1126 Ų265%0.05114%0.138CC..  trans-91.8150.2-178.1-65.294000112.7T371 A374 F376 I391 S394T371-H396 PolarHBondContact O-NE2 3.28Å; A374-H396 PolarHBondContact O-CD2 2.57Å; F376-H396 HydrophobicContact CD2-CB 3.79Å; F376-H396 HydrophobicContact CE2-CB 3.77Å; F376-H396 AromaticContact CE2-CD2 3.93Å; F376-H396 AromaticContact CE2-CG 3.69Å; I391-H396 HydrophobicContact CG2-CB 3.9Å; S394-H396 PolarHBondContact O-ND1 3.1Å; S394-H396 PolarHBondContact OG-ND1 3.35Å
397A97.5Very high96.4Very high20 Ų2020.3 Ų20.317%0.16512%0.118CC..EExtended strand (participates in β ladder)trans-76.1148.6176.300000111.5V375 F376 L436 I438V375-A397 WeakPolarHBondContact CA-O 3.37Å; V375-A397 HydrophobicContact CG1-CB 4.29Å; V375-A397 HydrophobicContact CG2-CB 4.17Å; F376-A397 PolarHBondContact N-O 2.8Å; A397-L436 CarbonylContact C-O 3.59Å; A397-L436 WeakPolarHBondContact CA-O 3.31Å; A397-I438 HydrophobicContact CB-CD1 4.33Å; A397-I438 HydrophobicContact CB-CG2 4.11Å
398V98.2Very high96.3Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-126135.2-177175.80000111.2F376 V378 V388 I391 T392 L436 I438F376-V398 WeakPolarHBondContact O-CA 3.25Å; V378-V398 HydrophobicContact CG2-CG1 3.82Å; V388-V398 HydrophobicContact CG1-CG1 4.36Å; V388-V398 HydrophobicContact CG2-CG1 4.03Å; I391-V398 HydrophobicContact CB-CG2 3.75Å; I391-V398 HydrophobicContact CD1-CG2 4.43Å; I391-V398 HydrophobicContact CG2-CG2 3.41Å; I391-V398 VanDerWaalsContact CG2-CG2 3.41Å; T392-V398 HydrophobicContact CG2-CB 4.32Å; T392-V398 HydrophobicContact CG2-CG2 3.71Å; V398-L436 PolarHBondContact N-O 2.82Å; V398-I438 WeakPolarHBondContact O-CG1 3.39Å; V398-I438 PolarHBondContact O-N 3.07Å
399I98.5Very high96.1Very high1 Ų128.4 Ų28.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-108.2131.2164.8-65.3166.6000106.9H153 V358 V375 F376 Q377 V378 I438 E441H153-I399 WeakPolarHBondContact NE2-CD1 3.28Å; V358-I399 HydrophobicContact CG1-CD1 4.29Å; V375-I399 HydrophobicContact CG1-CD1 3.66Å; V375-I399 HydrophobicContact CG1-CG1 3.83Å; F376-I399 PolarHBondContact O-N 3.3Å; Q377-I399 CarbonylContact C-O 3.57Å; Q377-I399 VanDerWaalsContact CA-O 3.31Å; Q377-I399 WeakPolarHBondContact CA-O 3.27Å; Q377-I399 HydrophobicContact CB-CB 4.39Å; Q377-I399 HydrophobicContact CG-CB 4.21Å; Q377-I399 HydrophobicContact CG-CG2 3.95Å; V378-I399 PolarHBondContact N-O 2.96Å; I399-I438 HydrophobicContact CD1-CD1 4.33Å; I399-I438 HydrophobicContact CG1-CD1 3.93Å; I399-I438 HydrophobicContact CG1-CG1 3.91Å; I399-E441 HydrophobicContact CG2-CB 4.44Å; I399-E441 HydrophobicContact CG2-CG 3.67Å
400L98.4Very high95.8Very high1 Ų131 Ų311%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-100.7128.4176-177.469.3000111.2V378 F384 W385 V388 W404 P423 G439 G440 E441V378-L400 HydrophobicContact CB-CD1 4.18Å; V378-L400 HydrophobicContact CG1-CD1 4.29Å; F384-L400 HydrophobicContact CB-CD1 4.45Å; F384-L400 HydrophobicContact CD2-CD1 3.7Å; F384-L400 HydrophobicContact CD2-CD2 4.41Å; F384-L400 HydrophobicContact CE2-CD1 4.33Å; F384-L400 HydrophobicContact CE2-CD2 4.27Å; F384-L400 HydrophobicContact CG-CD1 4.39Å; W385-L400 HydrophobicContact CH2-CD2 3.51Å; W385-L400 HydrophobicContact CZ2-CD2 4.5Å; W385-L400 HydrophobicContact CZ3-CD2 3.78Å; V388-L400 HydrophobicContact CG2-CD1 4.23Å; L400-W404 WeakPolarHBondContact O-CZ3 3.44Å; L400-P423 HydrophobicContact CB-CB 4.31Å; L400-P423 HydrophobicContact CB-CG 4.5Å; L400-P423 HydrophobicContact CD2-CB 4.13Å; L400-P423 HydrophobicContact CD2-CG 4.18Å; L400-G439 PolarHBondContact N-O 3.16Å; L400-G439 VanDerWaalsContact N-O 3.09Å; L400-G440 CarbonylContact O-C 3.48Å; L400-G440 WeakPolarHBondContact O-CA 3.34Å; L400-E441 PolarHBondContact O-N 3.21Å
401S98.3Very high95.5Very high0 Ų040.3 Ų40.30%021%0.207CC..  trans-125.4-12.2168.359.10000114V378 W379 C403 W404 Y405 E441 C443V378-S401 PolarHBondContact O-N 2.96Å; V378-S401 PolarHBondContact O-OG 2.87Å; W379-S401 WeakPolarHBondContact CB-OG 3.5Å; S401-C403 PolarHBondContact O-N 3.08Å; S401-W404 PolarHBondContact O-N 2.82Å; S401-Y405 WeakPolarHBondContact O-CD2 3.3Å; S401-E441 WeakPolarHBondContact CA-O 3.25Å; S401-E441 WeakPolarHBondContact CB-O 3.43Å; S401-C443 VanDerWaalsContact CB-SG 3.52Å
402S97Very high95Very high5 Ų547.8 Ų47.84%0.03524%0.239CC..THydrogen-bonded Turntrans-49.8-33.1-176.4-58.80000115.4V378 W379 K380 L381 F384V378-S402 PolarHBondContact O-N 3.46Å; V378-S402 VanDerWaalsContact O-N 3.08Å; V378-S402 PolarHBondContact O-OG 3.14Å; V378-S402 VanDerWaalsContact O-OG 3.1Å; W379-S402 WeakPolarHBondContact CA-OG 3.43Å; W379-S402 PolarHBondContact N-OG 2.88Å; W379-S402 WeakPolarHBondContact O-CA 3.44Å; W379-S402 PolarHBondContact O-OG 2.84Å; K380-S402 WeakPolarHBondContact O-CB 3.49Å; K380-S402 PolarHBondContact O-OG 3.14Å; L381-S402 WeakPolarHBondContact CD2-O 3.43Å; F384-S402 VanDerWaalsContact CB-OG 3.29Å; F384-S402 WeakPolarHBondContact CB-OG 3.35Å
403C93.7Very high94.5Very high21 Ų2151.6 Ų51.614%0.14227%0.265CS..THydrogen-bonded Turntrans-80.8-14.7178.7-71.40000114.4F384 S401 F418 C421F384-C403 VanDerWaalsContact CZ-SG 3.52Å; S401-C403 PolarHBondContact O-N 3.08Å; C403-F418 WeakPolarHBondContact O-CD1 3.44Å; C403-F418 VanDerWaalsContact O-CE1 3.28Å; C403-F418 WeakPolarHBondContact O-CE1 3.23Å; C403-C421 HydrophobicContact CB-CB 3.37Å; C403-C421 WeakPolarHBondContact CB-SG 3.41Å; C403-C421 WeakPolarHBondContact SG-CB 3.35Å; C403-C421 CovalentContact SG-SG 2.02Å; C403-C421 PolarHBondContact SG-SG 2.85Å
404W97.3Very high94.4Very high0 Ų046.1 Ų46.10%025%0.245CC..  trans-126.539.5-162.5-60.9-52.1000113L400 S401 L406 F418 C421 P423 V442 C443 A465 R468 L469L400-W404 WeakPolarHBondContact O-CZ3 3.44Å; S401-W404 PolarHBondContact O-N 2.82Å; W404-L406 HydrophobicContact CB-CD1 4.37Å; W404-L406 WeakPolarHBondContact O-CD1 3.08Å; W404-L406 PolarHBondContact O-N 2.89Å; W404-F418 AromaticContact CD1-CD1 3.8Å; W404-F418 AromaticContact CD1-CG 3.95Å; W404-F418 PolarHBondContact NE1-O 2.86Å; W404-C421 HydrophobicContact CZ2-CB 4.46Å; W404-C421 WeakPolarHBondContact CZ2-O 3.17Å; W404-P423 HydrophobicContact CH2-CG 3.54Å; W404-P423 HydrophobicContact CZ3-CG 4.01Å; W404-V442 HydrophobicContact CB-CG2 4.13Å; W404-V442 HydrophobicContact CG-CG2 4.41Å; W404-C443 PolarHBondContact O-N 3.04Å; W404-A465 HydrophobicContact CD2-CB 3.93Å; W404-A465 HydrophobicContact CG-CB 3.94Å; W404-A465 HydrophobicContact CZ2-CB 4.21Å; W404-R468 HydrophobicContact CH2-CG 4.4Å; W404-R468 HydrophobicContact CZ2-CB 4.42Å; W404-R468 HydrophobicContact CZ2-CG 3.9Å; W404-L469 HydrophobicContact CH2-CD1 4.31Å; W404-L469 HydrophobicContact CH2-CD2 3.7Å; W404-L469 HydrophobicContact CH2-CG 3.95Å; W404-L469 HydrophobicContact CZ3-CD1 4.29Å; W404-L469 HydrophobicContact CZ3-CD2 4.05Å; W404-L469 HydrophobicContact CZ3-CG 4.38Å
405Y96.8Very high94.4Very high12 Ų1244.9 Ų44.95%0.04723%0.233CC..BIsolated β-bridgetrans-79.198.9165.6-87.4-130.7000109.1W379 S401 F408 C443 W445W379-Y405 HydrophobicContact CB-CE2 4.04Å; W379-Y405 WeakPolarHBondContact CB-OH 3Å; W379-Y405 AromaticContact CE3-CE1 3.92Å; W379-Y405 HydrophobicContact CE3-CE1 3.92Å; W379-Y405 HydrophobicContact CE3-CE2 4.45Å; W379-Y405 AromaticContact CE3-CZ 3.57Å; W379-Y405 HydrophobicContact CZ3-CE1 4.3Å; S401-Y405 WeakPolarHBondContact O-CD2 3.3Å; Y405-F408 HydrophobicContact CD1-CD2 4.23Å; Y405-F408 AromaticContact CD1-CE2 3.61Å; Y405-F408 HydrophobicContact CD1-CE2 3.61Å; Y405-F408 HydrophobicContact CD1-CZ 4.09Å; Y405-F408 HydrophobicContact CG-CD2 4.41Å; Y405-F408 HydrophobicContact CG-CE2 4.17Å; Y405-C443 HydrophobicContact CD2-CB 4.03Å; Y405-C443 HydrophobicContact CE2-CB 3.97Å; Y405-W445 AromaticContact CD1-CD1 3.82Å; Y405-W445 AromaticContact CD1-NE1 3.72Å; Y405-W445 AromaticContact CE1-CD1 3.59Å; Y405-W445 AromaticContact CE1-NE1 3.07Å; Y405-W445 AromaticContact CZ-NE1 3.24Å; Y405-W445 PolarHBondContact OH-NE1 3.16Å
406L96.7Very high94.4Very high1 Ų146.5 Ų46.51%0.00523%0.225CC..  trans-85.7-18.3-176-9461.1000112.7W404 F408 F418 V442 C443 L444 L458 R461 A462W404-L406 HydrophobicContact CB-CD1 4.37Å; W404-L406 WeakPolarHBondContact O-CD1 3.08Å; W404-L406 PolarHBondContact O-N 2.89Å; L406-F408 PolarHBondContact O-N 2.83Å; L406-F418 HydrophobicContact CD1-CD1 4.35Å; L406-F418 HydrophobicContact CD1-CD2 3.88Å; L406-F418 HydrophobicContact CD1-CE1 4Å; L406-F418 HydrophobicContact CD1-CE2 3.54Å; L406-F418 HydrophobicContact CD1-CG 4.29Å; L406-F418 HydrophobicContact CD1-CZ 3.6Å; L406-F418 HydrophobicContact CG-CD2 4.43Å; L406-F418 HydrophobicContact CG-CE2 3.85Å; L406-F418 HydrophobicContact CG-CZ 4.14Å; L406-V442 HydrophobicContact CB-CG1 4.46Å; L406-V442 HydrophobicContact CD1-CG1 3.89Å; L406-V442 HydrophobicContact CD2-CG1 3.59Å; L406-V442 HydrophobicContact CG-CG1 4.17Å; L406-C443 PolarHBondContact N-O 2.75Å; L406-L444 HydrophobicContact CB-CD1 4.12Å; L406-L458 HydrophobicContact CD2-CD1 3.95Å; L406-R461 HydrophobicContact CD2-CB 3.67Å; L406-R461 HydrophobicContact CG-CB 4.22Å; L406-R461 VanDerWaalsContact O-CZ 3.26Å; L406-R461 PolarHBondContact O-NH1 2.05Å; L406-R461 PolarHBondContact O-NH2 3.09Å; L406-A462 HydrophobicContact CD2-CB 4.1Å
407N94.9Very high94.2Very high28 Ų2852.5 Ų52.515%0.1525%0.247CC..SBendtrans-58.7-28.6169.763.8-42.8000111.8I409 L444 W445N407-I409 VanDerWaalsContact C-N 3.35Å; N407-I409 PolarHBondContact O-N 2.85Å; N407-L444 HydrophobicContact CB-CD1 4.27Å; N407-W445 HydrophobicContact CB-CB 4.25Å
408F93.9Very high94Very high104 Ų10451.5 Ų51.546%0.45624%0.239SC..SBendtrans-7781.6170.4-58.1-32.6000111.9L381 Y405 L406L381-F408 HydrophobicContact CD1-CD2 4.25Å; L381-F408 HydrophobicContact CD1-CE2 3.89Å; Y405-F408 HydrophobicContact CD1-CD2 4.23Å; Y405-F408 AromaticContact CD1-CE2 3.61Å; Y405-F408 HydrophobicContact CD1-CE2 3.61Å; Y405-F408 HydrophobicContact CD1-CZ 4.09Å; Y405-F408 HydrophobicContact CG-CD2 4.41Å; Y405-F408 HydrophobicContact CG-CE2 4.17Å; L406-F408 PolarHBondContact O-N 2.83Å
409I91.8Very high94Very high106 Ų10651.6 Ų51.654%0.54424%0.239SC..  trans-70.2147.5174.965.3172.5000111.6N407 F457N407-I409 VanDerWaalsContact C-N 3.35Å; N407-I409 PolarHBondContact O-N 2.85Å; I409-F457 HydrophobicContact CD1-CZ 4.39Å; I409-F457 HydrophobicContact CG2-CD2 4.04Å; I409-F457 HydrophobicContact CG2-CE2 3.91Å; I409-F457 HydrophobicContact CG2-CZ 4.45Å
410S89.8Confident93.8Very high68 Ų6855.4 Ų55.448%0.47626%0.263SS..  trans-138.6155.6173.781.60000110.8K412S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 PolarHBondContact O-N 3.16Å; S410-K412 PolarHBondContact OG-O 2.96Å
411Y89.2Confident93.6Very high233 Ų23356 Ų5691%0.91427%0.267SS*.SBendtrans-64.3-29.8-175.2176.8-106000114.1
412K85.2Confident93.4Very high160 Ų16057.2 Ų57.270%0.69627%0.273SS*.SBendtrans-90.3159.6-178.9-69.2-174.6179.21800110.6S410 D414S410-K412 VanDerWaalsContact C-N 3.29Å; S410-K412 PolarHBondContact O-N 3.16Å; S410-K412 PolarHBondContact OG-O 2.96Å; K412-D414 VanDerWaalsContact C-N 3.31Å; K412-D414 PolarHBondContact O-N 3.23Å
413P86.1Confident93.3Very high84 Ų8457 Ų5755%0.54527%0.272SS..  trans-59.590.7173-22.333.4000111.8W415P413-W415 VanDerWaalsContact C-N 3.3Å; P413-W415 PolarHBondContact O-N 3.3Å
414D92.7Very high93.3Very high18 Ų1859 Ų5910%0.09628%0.277CS..THydrogen-bonded Turntrans-72.7-21.1-175.859.9-9.4000113K412 R416 R417 F418 R461K412-D414 VanDerWaalsContact C-N 3.31Å; K412-D414 PolarHBondContact O-N 3.23Å; D414-R416 PolarHBondContact O-N 3.41Å; D414-R417 VanDerWaalsContact O-CB 3.28Å; D414-R417 WeakPolarHBondContact O-CB 3.06Å; D414-R417 PolarHBondContact O-N 3.3Å; D414-F418 HydrophobicContact CB-CE2 4.18Å; D414-F418 HydrophobicContact CB-CZ 4.38Å; D414-F418 PolarHBondContact O-N 2.71Å; D414-F418 WeakPolarHBondContact OD2-CE2 3.37Å; D414-R461 WeakPolarHBondContact OD1-CD 3.43Å; D414-R461 WeakPolarHBondContact OD2-CD 3.14Å; D414-R461 IonicContact OD2-CZ 2.63Å; D414-R461 IonicContact OD2-NH1 3.88Å; D414-R461 PolarHBondContact OD2-NH1 3.4Å
415W94Very high93Very high24 Ų2461.7 Ų61.79%0.09130%0.298CS..Hα-helixtrans-51.4-31.2179.378.7-97.4000113.4P413 R417 F418 Y419 A464 A478 L482 L485P413-W415 VanDerWaalsContact C-N 3.3Å; P413-W415 PolarHBondContact O-N 3.3Å; W415-R417 VanDerWaalsContact C-N 3.3Å; W415-R417 PolarHBondContact O-N 2.82Å; W415-F418 WeakPolarHBondContact O-CB 3.41Å; W415-F418 PolarHBondContact O-N 2.7Å; W415-F418 VanDerWaalsContact O-N 3.14Å; W415-Y419 HydrophobicContact CZ3-CD2 4.25Å; W415-Y419 HydrophobicContact CZ3-CG 4.07Å; W415-Y419 WeakPolarHBondContact O-CB 3.44Å; W415-Y419 PolarHBondContact O-N 2.95Å; W415-A464 HydrophobicContact CB-CB 4.24Å; W415-A464 HydrophobicContact CE3-CB 4.06Å; W415-A478 HydrophobicContact CH2-CB 4.07Å; W415-A478 VanDerWaalsContact CH2-O 3.31Å; W415-A478 WeakPolarHBondContact CH2-O 3.22Å; W415-A478 HydrophobicContact CZ3-CB 4.18Å; W415-L482 HydrophobicContact CH2-CB 4.15Å; W415-L482 HydrophobicContact CZ2-CB 4.04Å; W415-L482 HydrophobicContact CZ2-CD1 3.81Å; W415-L482 HydrophobicContact CZ2-CG 4.45Å; W415-L485 HydrophobicContact CD2-CD2 3.68Å; W415-L485 HydrophobicContact CE3-CD2 3.53Å; W415-L485 HydrophobicContact CG-CD2 4.25Å; W415-L485 HydrophobicContact CH2-CD2 4.19Å; W415-L485 HydrophobicContact CZ2-CD2 4.36Å; W415-L485 HydrophobicContact CZ3-CD2 3.79Å
416R94.2Very high92.5Very high80 Ų8061.3 Ų61.330%0.30230%0.297SS..Hα-helixtrans-60.7-39.4176.8-70.6-172.8171.772.9-2.7112D414 F418 Y419 T420 A478 D479D414-R416 PolarHBondContact O-N 3.41Å; R416-F418 VanDerWaalsContact C-N 3.34Å; R416-Y419 PolarHBondContact O-N 3.06Å; R416-T420 WeakPolarHBondContact O-CG2 3.43Å; R416-T420 PolarHBondContact O-N 2.89Å; R416-T420 VanDerWaalsContact O-N 3.13Å; R416-T420 PolarHBondContact O-OG1 2.81Å; R416-A478 HydrophobicContact CB-CB 4.29Å; R416-A478 HydrophobicContact CG-CB 4.01Å; R416-D479 IonicContact CZ-OD1 2.84Å; R416-D479 IonicContact NE-OD1 2.78Å; R416-D479 PolarHBondContact NE-OD1 2.66Å; R416-D479 IonicContact NH2-OD1 3.35Å
417R93.1Very high91.9Very high136 Ų13666.9 Ų66.951%0.51334%0.336SS..Hα-helixtrans-64.1-42.4175.5178.9-176.866174-1.4110.5D414 W415 Y419 T420 C421D414-R417 VanDerWaalsContact O-CB 3.28Å; D414-R417 WeakPolarHBondContact O-CB 3.06Å; D414-R417 PolarHBondContact O-N 3.3Å; W415-R417 VanDerWaalsContact C-N 3.3Å; W415-R417 PolarHBondContact O-N 2.82Å; R417-Y419 VanDerWaalsContact C-N 3.34Å; R417-T420 PolarHBondContact O-N 3.1Å; R417-T420 PolarHBondContact O-OG1 2.8Å; R417-C421 PolarHBondContact O-N 2.84Å
418F95.3Very high91.3Very high0 Ų069.1 Ų69.10%035%0.354CS..Hα-helixtrans-65.5-39.5177.4-56.7-33000111.6C403 W404 L406 D414 W415 R416 R461 A464C403-F418 WeakPolarHBondContact O-CD1 3.44Å; C403-F418 VanDerWaalsContact O-CE1 3.28Å; C403-F418 WeakPolarHBondContact O-CE1 3.23Å; W404-F418 AromaticContact CD1-CD1 3.8Å; W404-F418 AromaticContact CD1-CG 3.95Å; W404-F418 PolarHBondContact NE1-O 2.86Å; L406-F418 HydrophobicContact CD1-CD1 4.35Å; L406-F418 HydrophobicContact CD1-CD2 3.88Å; L406-F418 HydrophobicContact CD1-CE1 4Å; L406-F418 HydrophobicContact CD1-CE2 3.54Å; L406-F418 HydrophobicContact CD1-CG 4.29Å; L406-F418 HydrophobicContact CD1-CZ 3.6Å; L406-F418 HydrophobicContact CG-CD2 4.43Å; L406-F418 HydrophobicContact CG-CE2 3.85Å; L406-F418 HydrophobicContact CG-CZ 4.14Å; D414-F418 HydrophobicContact CB-CE2 4.18Å; D414-F418 HydrophobicContact CB-CZ 4.38Å; D414-F418 PolarHBondContact O-N 2.71Å; D414-F418 WeakPolarHBondContact OD2-CE2 3.37Å; W415-F418 WeakPolarHBondContact O-CB 3.41Å; W415-F418 PolarHBondContact O-N 2.7Å; W415-F418 VanDerWaalsContact O-N 3.14Å; R416-F418 VanDerWaalsContact C-N 3.34Å; F418-R461 HydrophobicContact CD2-CB 4.33Å; F418-R461 HydrophobicContact CE2-CB 4.33Å; F418-A464 HydrophobicContact CB-CB 4.1Å
419Y96.6Very high91Very high1 Ų164.5 Ų64.50%0.00434%0.335CS..Hα-helixtrans-65.2-38.5178.7-170.4-98.7000112.7W10 W415 R416 R417 A464 E467 R468 Q475 A478 A481W10-Y419 HydrophobicContact CH2-CD2 4.01Å; W10-Y419 AromaticContact CH2-CE2 3.69Å; W10-Y419 HydrophobicContact CH2-CE2 3.69Å; W10-Y419 HydrophobicContact CZ2-CD2 4.36Å; W10-Y419 HydrophobicContact CZ2-CE2 4.22Å; W415-Y419 HydrophobicContact CZ3-CD2 4.25Å; W415-Y419 HydrophobicContact CZ3-CG 4.07Å; W415-Y419 WeakPolarHBondContact O-CB 3.44Å; W415-Y419 PolarHBondContact O-N 2.95Å; R416-Y419 PolarHBondContact O-N 3.06Å; R417-Y419 VanDerWaalsContact C-N 3.34Å; Y419-A464 HydrophobicContact CD2-CB 4.42Å; Y419-E467 HydrophobicContact CE2-CB 4.05Å; Y419-E467 HydrophobicContact CE2-CG 3.8Å; Y419-E467 WeakPolarHBondContact CE2-OE1 3.02Å; Y419-E467 PolarHBondContact OH-OE1 2.98Å; Y419-R468 PolarHBondContact O-NE 3.09Å; Y419-R468 PolarHBondContact O-NH2 3.49Å; Y419-Q475 PolarHBondContact OH-O 3.42Å; Y419-A478 HydrophobicContact CD1-CB 3.81Å; Y419-A478 HydrophobicContact CE1-CB 4.42Å; Y419-A478 HydrophobicContact CG-CB 4.46Å; Y419-A481 HydrophobicContact CE1-CB 4.02Å; Y419-A481 HydrophobicContact CE2-CB 3.91Å
420T94.3Very high91.1Very high82 Ų8262.9 Ų62.950%0.50333%0.331SS..Hα-helixtrans-85.5-12.5-173.6550000114.9R416 R417 D422R416-T420 WeakPolarHBondContact O-CG2 3.43Å; R416-T420 PolarHBondContact O-N 2.89Å; R416-T420 VanDerWaalsContact O-N 3.13Å; R416-T420 PolarHBondContact O-OG1 2.81Å; R417-T420 PolarHBondContact O-N 3.1Å; R417-T420 PolarHBondContact O-OG1 2.8Å; T420-D422 PolarHBondContact O-N 3.29Å
421C94.7Very high91.2Very high14 Ų1469.1 Ų69.110%0.09534%0.344CS..  trans-74.9111.7178.7178.60000112.2C403 W404 R417 R468C403-C421 HydrophobicContact CB-CB 3.37Å; C403-C421 WeakPolarHBondContact CB-SG 3.41Å; C403-C421 WeakPolarHBondContact SG-CB 3.35Å; C403-C421 CovalentContact SG-SG 2.02Å; C403-C421 PolarHBondContact SG-SG 2.85Å; W404-C421 HydrophobicContact CZ2-CB 4.46Å; W404-C421 WeakPolarHBondContact CZ2-O 3.17Å; R417-C421 PolarHBondContact O-N 2.84Å; C421-R468 WeakPolarHBondContact O-CD 3.22Å; C421-R468 WeakPolarHBondContact O-CG 3.31Å
422D94.9Very high91.4Very high24 Ų2465.5 Ų65.513%0.12834%0.335CS..  trans-101.1113.7177.2177.68.9000112.3R150 W385 T420 R424 A425 V473R150-D422 IonicContact CZ-OD1 2.97Å; R150-D422 VanDerWaalsContact CZ-OD1 3.24Å; R150-D422 IonicContact CZ-OD2 3.68Å; R150-D422 IonicContact NH1-OD1 3.01Å; R150-D422 PolarHBondContact NH1-OD1 3.16Å; R150-D422 IonicContact NH1-OD2 3.2Å; R150-D422 PolarHBondContact NH1-OD2 3.44Å; R150-D422 VanDerWaalsContact NH2-CG 3.25Å; R150-D422 IonicContact NH2-OD1 3.2Å; R150-D422 PolarHBondContact NH2-OD1 2.85Å; R150-D422 IonicContact NH2-OD2 2.83Å; R150-D422 PolarHBondContact NH2-OD2 2.69Å; W385-D422 WeakPolarHBondContact CH2-O 3.41Å; W385-D422 VanDerWaalsContact CZ2-O 3.22Å; W385-D422 WeakPolarHBondContact CZ2-O 3.43Å; T420-D422 PolarHBondContact O-N 3.29Å; D422-R424 PolarHBondContact O-N 3.37Å; D422-R424 PolarHBondContact OD1-N 3.33Å; D422-A425 HydrophobicContact CB-CB 4.15Å; D422-A425 VanDerWaalsContact O-CB 3.25Å; D422-A425 WeakPolarHBondContact O-CB 3.24Å; D422-A425 PolarHBondContact O-N 3.1Å; D422-V473 WeakPolarHBondContact OD2-CG2 3.36Å
423P93.4Very high91.9Very high0 Ų058.9 Ų58.90%031%0.307CS..THydrogen-bonded Turntrans-48.3-27.9176.5-28.935.3000115.3F151 W385 L400 W404 I437 L469F151-P423 HydrophobicContact CE1-CB 4.11Å; F151-P423 HydrophobicContact CE2-CG 4.34Å; F151-P423 HydrophobicContact CZ-CB 3.86Å; F151-P423 HydrophobicContact CZ-CG 4.07Å; W385-P423 VanDerWaalsContact CH2-CA 3.48Å; W385-P423 WeakPolarHBondContact CZ3-O 3.2Å; L400-P423 HydrophobicContact CB-CB 4.31Å; L400-P423 HydrophobicContact CB-CG 4.5Å; L400-P423 HydrophobicContact CD2-CB 4.13Å; L400-P423 HydrophobicContact CD2-CG 4.18Å; W404-P423 HydrophobicContact CH2-CG 3.54Å; W404-P423 HydrophobicContact CZ3-CG 4.01Å; P423-I437 HydrophobicContact CB-CG2 3.71Å; P423-I437 WeakPolarHBondContact O-CD1 3.18Å; P423-L469 HydrophobicContact CG-CD2 3.9Å
424R93.5Very high92.3Very high65 Ų6559.7 Ų59.725%0.24530%0.299CS..THydrogen-bonded Turntrans-9911-178.2-75.2175.8177.6153.611.2114.1R150 F151 D422 L426 R434 I437R150-R424 PolarHBondContact O-NH1 3.16Å; F151-R424 HydrophobicContact CE1-CG 3.7Å; F151-R424 VanDerWaalsContact CE1-CZ 3.41Å; F151-R424 VanDerWaalsContact CE1-NE 3.27Å; F151-R424 HydrophobicContact CZ-CB 4.38Å; F151-R424 HydrophobicContact CZ-CG 3.76Å; D422-R424 PolarHBondContact O-N 3.37Å; D422-R424 PolarHBondContact OD1-N 3.33Å; R424-L426 PolarHBondContact O-N 3.47Å; R424-R434 HydrophobicContact CG-CB 4.44Å; R424-R434 PolarHBondContact NE-O 2.94Å; R424-I437 HydrophobicContact CG-CB 4.12Å; R424-I437 HydrophobicContact CG-CD1 4.18Å; R424-I437 HydrophobicContact CG-CG2 4.26Å; R424-I437 PolarHBondContact NE-O 3.44Å; R424-I437 PolarHBondContact NH2-O 2.7Å
425A91.4Very high92.4Very high55 Ų5565.3 Ų65.346%0.45532%0.323SS..  trans-7340.2176.100000113.4W385 D422 S427W385-A425 HydrophobicContact CZ2-CB 4.04Å; D422-A425 HydrophobicContact CB-CB 4.15Å; D422-A425 VanDerWaalsContact O-CB 3.25Å; D422-A425 WeakPolarHBondContact O-CB 3.24Å; D422-A425 PolarHBondContact O-N 3.1Å; A425-S427 PolarHBondContact O-N 3.44Å
426L87.1Confident92.5Very high4 Ų466.5 Ų66.52%0.02133%0.331CS..  trans-86.9105.3-179.5-174.863.7000109.9W385 V388 D389 R424 S428 G429 R434W385-L426 WeakPolarHBondContact O-CD1 3.35Å; V388-L426 HydrophobicContact CG1-CD2 4.49Å; D389-L426 HydrophobicContact CB-CD1 3.75Å; D389-L426 HydrophobicContact CB-CD2 4.32Å; R424-L426 PolarHBondContact O-N 3.47Å; L426-S428 PolarHBondContact O-N 2.7Å; L426-G429 PolarHBondContact O-N 2.78Å; L426-R434 PolarHBondContact O-NE 2.9Å; L426-R434 PolarHBondContact O-NH2 3.48Å
427S83.3Confident92.7Very high118 Ų11862.7 Ų62.783%0.82532%0.316SS*.SBendtrans-60.9-43.1-173.554.80000113.1A425A425-S427 PolarHBondContact O-N 3.44Å
428S83.4Confident92.9Very high76 Ų7657.4 Ų57.453%0.53130%0.298SS..SBendtrans-88.7-10.3-179.454.90000114.6D389 L426D389-S428 PolarHBondContact OD2-OG 2.91Å; L426-S428 PolarHBondContact O-N 2.7Å
429G86.5Confident93Very high6 Ų657.4 Ų57.46%0.06230%0.298CS..  trans-74.3129.8-168.200000113.9L426 R434L426-G429 PolarHBondContact O-N 2.78Å; G429-R434 VanDerWaalsContact O-CZ 3.32Å; G429-R434 PolarHBondContact O-NE 2.94Å; G429-R434 PolarHBondContact O-NH2 2.85Å
430T93.9Very high93.1Very high73 Ų7357.4 Ų57.445%0.44830%0.298SS..  trans-63.3162.717064.80000111.7Q432 Q433 R434T430-Q432 PolarHBondContact O-N 2.89Å; T430-Q433 PolarHBondContact O-N 3.43Å; T430-Q433 WeakPolarHBondContact OG1-CG 3.5Å; T430-Q433 PolarHBondContact OG1-N 3.1Å; T430-Q433 PolarHBondContact OG1-OE1 3.25Å; T430-R434 PolarHBondContact O-N 3.45Å
431R92.9Very high93.3Very high198 Ų19853.6 Ų53.675%0.74727%0.274SS*.Hα-helixtrans-57.2-34174.2-173.7179.8179.7-165.51.2112.4K435R431-K435 WeakPolarHBondContact O-CG 3.27Å; R431-K435 PolarHBondContact O-N 2.9Å
432Q92.9Very high93.5Very high157 Ų15752.9 Ų52.973%0.73427%0.27SS*.Hα-helixtrans-70.7-45.8177.9-73.1176.5-10.300111.3T430 R434 K435 L436T430-Q432 PolarHBondContact O-N 2.89Å; Q432-R434 PolarHBondContact O-N 3.37Å; Q432-K435 WeakPolarHBondContact O-CB 3.46Å; Q432-K435 PolarHBondContact O-N 3.38Å; Q432-K435 VanDerWaalsContact O-N 3.1Å; Q432-L436 PolarHBondContact O-N 2.92Å
433Q94.7Very high93.7Very high22 Ų2251.8 Ų51.810%0.10326%0.264CS..Hα-helixtrans-58.8-44.6174.9-72.8169.9-81.200112.2D389 T430 K435 L436D389-Q433 PolarHBondContact OD1-NE2 2.65Å; T430-Q433 PolarHBondContact O-N 3.43Å; T430-Q433 WeakPolarHBondContact OG1-CG 3.5Å; T430-Q433 PolarHBondContact OG1-N 3.1Å; T430-Q433 PolarHBondContact OG1-OE1 3.25Å; Q433-K435 PolarHBondContact O-N 2.82Å; Q433-K435 VanDerWaalsContact O-N 3.16Å; Q433-L436 WeakPolarHBondContact O-CB 3.45Å; Q433-L436 PolarHBondContact O-N 3.46Å
434R94.9Very high93.9Very high100 Ų10051.8 Ų51.838%0.37726%0.264SS..Hα-helixtrans-62-24.7177.9-67.9-176.8-168.9145.64.8113.6R424 L426 G429 T430 Q432 I437R424-R434 HydrophobicContact CG-CB 4.44Å; R424-R434 PolarHBondContact NE-O 2.94Å; L426-R434 PolarHBondContact O-NE 2.9Å; L426-R434 PolarHBondContact O-NH2 3.48Å; G429-R434 VanDerWaalsContact O-CZ 3.32Å; G429-R434 PolarHBondContact O-NE 2.94Å; G429-R434 PolarHBondContact O-NH2 2.85Å; T430-R434 PolarHBondContact O-N 3.45Å; Q432-R434 PolarHBondContact O-N 3.37Å; R434-I437 PolarHBondContact O-N 3.08Å
435K95Very high94.2Very high136 Ų13649.3 Ų49.359%0.59125%0.254SS*.Hα-helixtrans-74.1-26.7174.3-74.3178.5176.9-171.20112.8R431 Q432 Q433 I437R431-K435 WeakPolarHBondContact O-CG 3.27Å; R431-K435 PolarHBondContact O-N 2.9Å; Q432-K435 WeakPolarHBondContact O-CB 3.46Å; Q432-K435 PolarHBondContact O-N 3.38Å; Q432-K435 VanDerWaalsContact O-N 3.1Å; Q433-K435 PolarHBondContact O-N 2.82Å; Q433-K435 VanDerWaalsContact O-N 3.16Å; K435-I437 PolarHBondContact O-N 2.81Å
436L96.9Very high94.5Very high49 Ų4946.7 Ų46.726%0.25723%0.233SC..Hα-helixtrans-72-16.6174.5-67.1171.4000112.1T392 A397 V398 Q432 Q433 I438T392-L436 HydrophobicContact CG2-CB 3.89Å; T392-L436 WeakPolarHBondContact O-CD1 3.18Å; A397-L436 CarbonylContact C-O 3.59Å; A397-L436 WeakPolarHBondContact CA-O 3.31Å; V398-L436 PolarHBondContact N-O 2.82Å; Q432-L436 PolarHBondContact O-N 2.92Å; Q433-L436 WeakPolarHBondContact O-CB 3.45Å; Q433-L436 PolarHBondContact O-N 3.46Å; L436-I438 PolarHBondContact O-N 2.82Å; L436-I438 VanDerWaalsContact O-N 3.12Å
437I97.5Very high95Very high1 Ų150.1 Ų50.11%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-78.196.2169.2-49.4173.1000107.6F151 V388 T392 P423 R424 R434 K435F151-I437 HydrophobicContact CE1-CG2 4.27Å; V388-I437 HydrophobicContact CG1-CD1 3.63Å; V388-I437 HydrophobicContact CG1-CG1 3.99Å; T392-I437 HydrophobicContact CG2-CG1 3.99Å; P423-I437 HydrophobicContact CB-CG2 3.71Å; P423-I437 WeakPolarHBondContact O-CD1 3.18Å; R424-I437 HydrophobicContact CG-CB 4.12Å; R424-I437 HydrophobicContact CG-CD1 4.18Å; R424-I437 HydrophobicContact CG-CG2 4.26Å; R424-I437 PolarHBondContact NE-O 3.44Å; R424-I437 PolarHBondContact NH2-O 2.7Å; R434-I437 PolarHBondContact O-N 3.08Å; K435-I437 PolarHBondContact O-N 2.81Å
438I97.7Very high95.6Very high25 Ų2553.4 Ų53.413%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-86.8-14.1-170.758.4168.7000113.2F151 S152 H153 Y303 V375 A397 V398 I399 L436F151-I438 WeakPolarHBondContact CB-O 3.33Å; S152-I438 PolarHBondContact N-O 3.44Å; H153-I438 HydrophobicContact CB-CD1 4.22Å; H153-I438 HydrophobicContact CB-CG1 4.23Å; H153-I438 PolarHBondContact N-O 3.39Å; H153-I438 VanDerWaalsContact N-O 3.16Å; Y303-I438 HydrophobicContact CE2-CD1 4.23Å; V375-I438 HydrophobicContact CG1-CD1 4.01Å; A397-I438 HydrophobicContact CB-CD1 4.33Å; A397-I438 HydrophobicContact CB-CG2 4.11Å; V398-I438 WeakPolarHBondContact O-CG1 3.39Å; V398-I438 PolarHBondContact O-N 3.07Å; I399-I438 HydrophobicContact CD1-CD1 4.33Å; I399-I438 HydrophobicContact CG1-CD1 3.93Å; I399-I438 HydrophobicContact CG1-CG1 3.91Å; L436-I438 PolarHBondContact O-N 2.82Å; L436-I438 VanDerWaalsContact O-N 3.12Å
439G98Very high96.3Very high0 Ų050 Ų500%022%0.221CC..EExtended strand (participates in β ladder)trans154.5-138.5173.600000112.7F151 H153 L400F151-G439 VanDerWaalsContact CD1-CA 3.48Å; H153-G439 CarbonylContact O-C 3.59Å; H153-G439 VanDerWaalsContact O-CA 3.26Å; H153-G439 WeakPolarHBondContact O-CA 3.44Å; L400-G439 PolarHBondContact N-O 3.16Å; L400-G439 VanDerWaalsContact N-O 3.09Å
440G98.4Very high96.9Very high0 Ų052 Ų520%023%0.23CC..EExtended strand (participates in β ladder)trans-169.4173.3-17500000113.7H153 G155 L400H153-G440 PolarHBondContact O-N 3.13Å; G155-G440 PolarHBondContact N-O 3.38Å; L400-G440 CarbonylContact O-C 3.48Å; L400-G440 WeakPolarHBondContact O-CA 3.34Å
441E98.8Very high97.1Very high2 Ų251.6 Ų51.61%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-136.7142.7-177.8-59.1-167.4160.700112H153 G155 H186 Q377 I399 L400 S401H153-E441 IonicContact CD2-OE1 3.39Å; H153-E441 IonicContact CE1-OE1 2.73Å; H153-E441 IonicContact NE2-OE1 3.18Å; H153-E441 PolarHBondContact NE2-OE1 2.8Å; G155-E441 CarbonylContact O-C 3.56Å; G155-E441 VanDerWaalsContact O-CA 3.23Å; G155-E441 WeakPolarHBondContact O-CA 3.5Å; H186-E441 IonicContact CE1-OE2 3.57Å; H186-E441 IonicContact CG-OE2 2.81Å; H186-E441 IonicContact ND1-OE1 3.54Å; H186-E441 IonicContact ND1-OE2 2.9Å; H186-E441 PolarHBondContact ND1-OE2 2.89Å; Q377-E441 PolarHBondContact NE2-OE2 3.39Å; Q377-E441 PolarHBondContact OE1-OE2 2.91Å; I399-E441 HydrophobicContact CG2-CB 4.44Å; I399-E441 HydrophobicContact CG2-CG 3.67Å; L400-E441 PolarHBondContact O-N 3.21Å; S401-E441 WeakPolarHBondContact CA-O 3.25Å; S401-E441 WeakPolarHBondContact CB-O 3.43Å
442V98.6Very high97.4Very high0 Ų047 Ų470%022%0.219CC..EExtended strand (participates in β ladder)trans-84.6126.5164.6169.30000108G155 I156 L157 F182 W404 L406 L458 A462 A465G155-V442 PolarHBondContact O-N 3.49Å; I156-V442 CarbonylContact C-O 3.49Å; I156-V442 WeakPolarHBondContact CA-O 3.11Å; I156-V442 HydrophobicContact CG1-CB 4.35Å; L157-V442 PolarHBondContact N-O 2.7Å; F182-V442 HydrophobicContact CE1-CG2 4.18Å; F182-V442 HydrophobicContact CZ-CG2 3.99Å; W404-V442 HydrophobicContact CB-CG2 4.13Å; W404-V442 HydrophobicContact CG-CG2 4.41Å; L406-V442 HydrophobicContact CB-CG1 4.46Å; L406-V442 HydrophobicContact CD1-CG1 3.89Å; L406-V442 HydrophobicContact CD2-CG1 3.59Å; L406-V442 HydrophobicContact CG-CG1 4.17Å; V442-L458 HydrophobicContact CG1-CD1 3.71Å; V442-A462 HydrophobicContact CG1-CB 4.01Å; V442-A462 HydrophobicContact CG2-CB 4.24Å; V442-A465 HydrophobicContact CG2-CB 3.37Å
443C98.7Very high97.6Very high0 Ų041.1 Ų41.10%019%0.192CC..EExtended strand (participates in β ladder)trans-107.1124.9178.1-62.60000110.8L157 S401 W404 Y405 L406L157-C443 HydrophobicContact CB-CB 4.44Å; S401-C443 VanDerWaalsContact CB-SG 3.52Å; W404-C443 PolarHBondContact O-N 3.04Å; Y405-C443 HydrophobicContact CD2-CB 4.03Å; Y405-C443 HydrophobicContact CE2-CB 3.97Å; L406-C443 PolarHBondContact N-O 2.75Å
444L98.4Very high97.8Very high1 Ų140.1 Ų40.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-122.688.3170-171.762.5000109.2L157 L158 L406 N407 V449 V454 F457 L458L157-L444 PolarHBondContact O-N 3.45Å; L158-L444 HydrophobicContact CD2-CB 4.21Å; L158-L444 HydrophobicContact CD2-CD2 4.29Å; L406-L444 HydrophobicContact CB-CD1 4.12Å; N407-L444 HydrophobicContact CB-CD1 4.27Å; L444-V449 HydrophobicContact CD1-CG2 3.94Å; L444-V449 HydrophobicContact CD2-CG1 4.01Å; L444-V449 HydrophobicContact CG-CG1 4.15Å; L444-V449 HydrophobicContact CG-CG2 4.17Å; L444-V454 HydrophobicContact CD2-CG2 3.94Å; L444-F457 HydrophobicContact CD1-CB 4.31Å; L444-F457 HydrophobicContact CD2-CB 4.28Å; L444-L458 HydrophobicContact CB-CD1 4.22Å; L444-L458 HydrophobicContact CD2-CB 3.86Å; L444-L458 HydrophobicContact CD2-CD1 4.08Å; L444-L458 HydrophobicContact CD2-CG 4.44Å
445W98.5Very high97.9Very high12 Ų1236.8 Ų36.85%0.04518%0.178CC..  trans-67.8148.6175.4-59.1108.1000112.1L157 D159 R162 H188 W360 Y405 N407 E447L157-W445 HydrophobicContact CD1-CH2 3.72Å; L157-W445 HydrophobicContact CD1-CZ2 3.94Å; L157-W445 HydrophobicContact CD1-CZ3 4.14Å; L157-W445 HydrophobicContact CD2-CD2 4.2Å; L157-W445 HydrophobicContact CD2-CE3 3.9Å; L157-W445 HydrophobicContact CD2-CH2 4.3Å; L157-W445 HydrophobicContact CD2-CZ3 3.96Å; D159-W445 HydrophobicContact CB-CE3 4.01Å; R162-W445 VanDerWaalsContact NH1-CE3 3.33Å; H188-W445 HydrophobicContact CB-CZ3 4.44Å; H188-W445 AromaticContact CE1-CZ3 3.83Å; H188-W445 AromaticContact CG-CZ3 3.82Å; H188-W445 AromaticContact ND1-CZ3 3.64Å; W360-W445 HydrophobicContact CH2-CH2 4.07Å; W360-W445 AromaticContact CH2-CZ2 3.78Å; W360-W445 HydrophobicContact CH2-CZ2 3.78Å; W360-W445 AromaticContact CZ2-CH2 3.49Å; W360-W445 HydrophobicContact CZ2-CH2 3.49Å; W360-W445 VanDerWaalsContact CZ2-CH2 3.49Å; W360-W445 AromaticContact CZ2-CZ2 3.67Å; W360-W445 HydrophobicContact CZ2-CZ2 3.67Å; Y405-W445 AromaticContact CD1-CD1 3.82Å; Y405-W445 AromaticContact CD1-NE1 3.72Å; Y405-W445 AromaticContact CE1-CD1 3.59Å; Y405-W445 AromaticContact CE1-NE1 3.07Å; Y405-W445 AromaticContact CZ-NE1 3.24Å; Y405-W445 PolarHBondContact OH-NE1 3.16Å; N407-W445 HydrophobicContact CB-CB 4.25Å; W445-E447 WeakPolarHBondContact CB-OE2 3.43Å
446G98.2Very high97.9Very high0 Ų036.2 Ų36.20%018%0.177CC..SBendtrans-91.3-1.1-161.100000115.2D159 R162 H163 Y448 V449D159-G446 WeakPolarHBondContact OD2-CA 3.48Å; D159-G446 PolarHBondContact OD2-N 3.11Å; R162-G446 VanDerWaalsContact CB-C 3.41Å; H163-G446 PolarHBondContact ND1-O 2.78Å; G446-Y448 PolarHBondContact O-N 3.48Å; G446-V449 PolarHBondContact O-N 2.83Å; G446-V449 VanDerWaalsContact O-N 3.16Å; G446-V449 VanDerWaalsContact O-O 3.12Å
447E97.2Very high97.8Very high76 Ų7636.5 Ų36.536%0.35518%0.176SC..THydrogen-bonded Turntrans-59.7-26.8-172.3-62.388.7161.400113.8R162 H163 W445R162-E447 HydrophobicContact CG-CG 3.95Å; R162-E447 IonicContact NH1-OE1 2.87Å; H163-E447 PolarHBondContact CE1-O 3.01Å; W445-E447 WeakPolarHBondContact CB-OE2 3.43Å
448Y97.5Very high97.8Very high187 Ų18736.4 Ų36.473%0.73318%0.176SC*.THydrogen-bonded Turntrans-127.714.6178.6-54.3-73.6000112.5G446 N453G446-Y448 PolarHBondContact O-N 3.48Å; Y448-N453 PolarHBondContact O-ND2 2.75Å
449V98.2Very high97.8Very high5 Ų536.7 Ų36.73%0.0318%0.175CC..  trans-129.6127.9-170.2176.60000110.6H163 L444 G446 N453 V454 F457H163-V449 WeakPolarHBondContact CB-O 3.28Å; L444-V449 HydrophobicContact CD1-CG2 3.94Å; L444-V449 HydrophobicContact CD2-CG1 4.01Å; L444-V449 HydrophobicContact CG-CG1 4.15Å; L444-V449 HydrophobicContact CG-CG2 4.17Å; G446-V449 PolarHBondContact O-N 2.83Å; G446-V449 VanDerWaalsContact O-N 3.16Å; G446-V449 VanDerWaalsContact O-O 3.12Å; V449-N453 WeakPolarHBondContact CA-OD1 3.46Å; V449-N453 WeakPolarHBondContact CG1-OD1 3.45Å; V449-V454 HydrophobicContact CG1-CB 3.64Å; V449-V454 HydrophobicContact CG1-CG2 3.82Å; V449-F457 HydrophobicContact CG2-CD2 3.79Å; V449-F457 HydrophobicContact CG2-CE2 4.3Å
450D98.4Very high97.6Very high49 Ų4940.5 Ų40.526%0.26220%0.2SC..  trans-144.2-170.4175.871.24.7000110.8H163 T452 N453 V454H163-D450 HydrophobicContact CB-CB 3.87Å; D450-T452 PolarHBondContact O-N 3.39Å; D450-T452 WeakPolarHBondContact OD1-CA 3.18Å; D450-T452 VanDerWaalsContact OD1-CB 3.25Å; D450-T452 WeakPolarHBondContact OD1-CB 3.48Å; D450-T452 WeakPolarHBondContact OD1-CG2 3.43Å; D450-T452 PolarHBondContact OD1-N 2.86Å; D450-T452 PolarHBondContact OD1-OG1 3.32Å; D450-N453 PolarHBondContact N-OD1 3.45Å; D450-N453 PolarHBondContact O-N 3.28Å; D450-N453 VanDerWaalsContact O-N 3.15Å; D450-N453 PolarHBondContact O-OD1 2.99Å; D450-V454 VanDerWaalsContact O-CB 3.28Å; D450-V454 WeakPolarHBondContact O-CB 3.26Å; D450-V454 WeakPolarHBondContact O-CG1 3.37Å; D450-V454 PolarHBondContact O-N 3.24Å
451D98.1Very high97.5Very high63 Ų6341.9 Ų41.934%0.33721%0.205SC..THydrogen-bonded Turntrans-49.9-28.7177-87.323.1000114.2L165 S166 I169L165-D451 WeakPolarHBondContact CA-OD1 3.46Å; S166-D451 WeakPolarHBondContact CB-OD2 3.45Å; S166-D451 PolarHBondContact N-OD1 3.18Å; S166-D451 PolarHBondContact N-OD2 3.32Å; S166-D451 PolarHBondContact OG-OD2 3.18Å; I169-D451 WeakPolarHBondContact CG2-OD1 3.3Å
452T98.1Very high97.5Very high103 Ų10341.8 Ų41.863%0.63221%0.205SC*.THydrogen-bonded Turntrans-76.3-24.9-174.272.80000113.3D450 Q456D450-T452 PolarHBondContact O-N 3.39Å; D450-T452 WeakPolarHBondContact OD1-CA 3.18Å; D450-T452 VanDerWaalsContact OD1-CB 3.25Å; D450-T452 WeakPolarHBondContact OD1-CB 3.48Å; D450-T452 WeakPolarHBondContact OD1-CG2 3.43Å; D450-T452 PolarHBondContact OD1-N 2.86Å; D450-T452 PolarHBondContact OD1-OG1 3.32Å; T452-Q456 PolarHBondContact O-NE2 3.29Å; T452-Q456 PolarHBondContact O-OE1 2.66Å
453N97.7Very high97.5Very high32 Ų3241.9 Ų41.917%0.17121%0.206CC..THydrogen-bonded Turntrans-135.8-9-17070.79.1000115.2Y448 V449 D450 L455 Q456 F457Y448-N453 PolarHBondContact O-ND2 2.75Å; V449-N453 WeakPolarHBondContact CA-OD1 3.46Å; V449-N453 WeakPolarHBondContact CG1-OD1 3.45Å; D450-N453 PolarHBondContact N-OD1 3.45Å; D450-N453 PolarHBondContact O-N 3.28Å; D450-N453 VanDerWaalsContact O-N 3.15Å; D450-N453 PolarHBondContact O-OD1 2.99Å; N453-L455 PolarHBondContact O-N 3.31Å; N453-Q456 PolarHBondContact O-N 2.87Å; N453-Q456 PolarHBondContact O-OE1 2.78Å; N453-Q456 VanDerWaalsContact O-OE1 3.1Å; N453-F457 HydrophobicContact CB-CD1 4.17Å; N453-F457 HydrophobicContact CB-CE1 4.14Å; N453-F457 WeakPolarHBondContact O-CB 3.15Å; N453-F457 PolarHBondContact O-N 2.75Å
454V98.2Very high97.4Very high1 Ų141.9 Ų41.91%0.00621%0.206CC..Hα-helixtrans-56.6-47.5-172.862.60000113.1L158 L165 I169 L444 V449 D450 F457 L458L158-V454 HydrophobicContact CD2-CG2 3.92Å; L165-V454 HydrophobicContact CD1-CG2 4.18Å; L165-V454 HydrophobicContact CD2-CB 4.43Å; L165-V454 HydrophobicContact CD2-CG1 4.4Å; I169-V454 HydrophobicContact CD1-CG1 4.32Å; I169-V454 HydrophobicContact CG1-CG1 3.44Å; I169-V454 VanDerWaalsContact CG1-CG1 3.44Å; I169-V454 HydrophobicContact CG2-CG1 4.31Å; L444-V454 HydrophobicContact CD2-CG2 3.94Å; V449-V454 HydrophobicContact CG1-CB 3.64Å; V449-V454 HydrophobicContact CG1-CG2 3.82Å; D450-V454 VanDerWaalsContact O-CB 3.28Å; D450-V454 WeakPolarHBondContact O-CB 3.26Å; D450-V454 WeakPolarHBondContact O-CG1 3.37Å; D450-V454 PolarHBondContact O-N 3.24Å; V454-F457 PolarHBondContact O-N 3.06Å; V454-L458 VanDerWaalsContact O-CB 3.26Å; V454-L458 WeakPolarHBondContact O-CB 3.49Å; V454-L458 PolarHBondContact O-N 3.43Å
455L97.7Very high97.4Very high31 Ų3141.9 Ų41.916%0.16221%0.206CC..Hα-helixtrans-69.6-38.2-178-63.6-175.1000112I169 Q172 N173 I176 N453 F457 L458 W459I169-L455 HydrophobicContact CD1-CD1 3.56Å; I169-L455 HydrophobicContact CD1-CG 3.78Å; I169-L455 HydrophobicContact CG1-CD1 4.38Å; I169-L455 HydrophobicContact CG1-CG 4.14Å; Q172-L455 HydrophobicContact CB-CD1 4.24Å; N173-L455 HydrophobicContact CB-CD2 3.95Å; I176-L455 HydrophobicContact CD1-CD1 4.44Å; I176-L455 HydrophobicContact CD1-CD2 4.15Å; N453-L455 PolarHBondContact O-N 3.31Å; L455-F457 VanDerWaalsContact C-N 3.35Å; L455-L458 PolarHBondContact O-N 3.3Å; L455-W459 WeakPolarHBondContact O-CB 3.41Å; L455-W459 PolarHBondContact O-N 3.32Å
456Q94.8Very high97.4Very high124 Ų12441.3 Ų41.358%0.57920%0.204SC*.Hα-helixtrans-72.1-31.7-179.6-57.186-13.700111.7T452 N453T452-Q456 PolarHBondContact O-NE2 3.29Å; T452-Q456 PolarHBondContact O-OE1 2.66Å; N453-Q456 PolarHBondContact O-N 2.87Å; N453-Q456 PolarHBondContact O-OE1 2.78Å; N453-Q456 VanDerWaalsContact O-OE1 3.1Å
457F95.1Very high97.4Very high54 Ų5441.4 Ų41.424%0.23720%0.204CC..Hα-helixtrans-74.6-41.3174.7-84.933000110.1I409 L444 V449 N453 V454 L455 R461I409-F457 HydrophobicContact CD1-CZ 4.39Å; I409-F457 HydrophobicContact CG2-CD2 4.04Å; I409-F457 HydrophobicContact CG2-CE2 3.91Å; I409-F457 HydrophobicContact CG2-CZ 4.45Å; L444-F457 HydrophobicContact CD1-CB 4.31Å; L444-F457 HydrophobicContact CD2-CB 4.28Å; V449-F457 HydrophobicContact CG2-CD2 3.79Å; V449-F457 HydrophobicContact CG2-CE2 4.3Å; N453-F457 HydrophobicContact CB-CD1 4.17Å; N453-F457 HydrophobicContact CB-CE1 4.14Å; N453-F457 WeakPolarHBondContact O-CB 3.15Å; N453-F457 PolarHBondContact O-N 2.75Å; V454-F457 PolarHBondContact O-N 3.06Å; L455-F457 VanDerWaalsContact C-N 3.35Å; F457-R461 PolarHBondContact O-NE 3.05Å; F457-R461 PolarHBondContact O-NH2 3.34Å
458L97Very high97.4Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-73.9-48.4-176.1-166.961.3000112.3I156 L158 N173 L406 V442 L444 V454 L455 R461 A462I156-L458 HydrophobicContact CD1-CD1 4.47Å; I156-L458 HydrophobicContact CD1-CD2 4.03Å; I156-L458 HydrophobicContact CD1-CG 4.45Å; I156-L458 HydrophobicContact CG2-CD1 4.04Å; I156-L458 HydrophobicContact CG2-CD2 3.83Å; L158-L458 HydrophobicContact CD2-CD2 4.28Å; N173-L458 WeakPolarHBondContact OD1-CD2 3.45Å; L406-L458 HydrophobicContact CD2-CD1 3.95Å; V442-L458 HydrophobicContact CG1-CD1 3.71Å; L444-L458 HydrophobicContact CB-CD1 4.22Å; L444-L458 HydrophobicContact CD2-CB 3.86Å; L444-L458 HydrophobicContact CD2-CD1 4.08Å; L444-L458 HydrophobicContact CD2-CG 4.44Å; V454-L458 VanDerWaalsContact O-CB 3.26Å; V454-L458 WeakPolarHBondContact O-CB 3.49Å; V454-L458 PolarHBondContact O-N 3.43Å; L455-L458 PolarHBondContact O-N 3.3Å; L458-R461 PolarHBondContact O-N 3.05Å; L458-R461 VanDerWaalsContact O-N 3.1Å; L458-A462 HydrophobicContact CD1-CB 3.78Å; L458-A462 HydrophobicContact CG-CB 3.91Å; L458-A462 WeakPolarHBondContact O-CB 3.42Å; L458-A462 PolarHBondContact O-N 3.44Å
459W97.4Very high97.4Very high30 Ų3029 Ų2911%0.11415%0.153CC..THydrogen-bonded Turntrans-108.4134.6-170.1-56.7107.6000111.8I156 N173 I176 M177 N180 F182 L455 A462 A463I156-W459 HydrophobicContact CD1-CH2 3.48Å; I156-W459 VanDerWaalsContact CD1-CH2 3.48Å; I156-W459 HydrophobicContact CD1-CZ2 3.35Å; N173-W459 PolarHBondContact OD1-NE1 3.29Å; I176-W459 HydrophobicContact CB-CD2 4.44Å; I176-W459 HydrophobicContact CB-CZ2 4.17Å; I176-W459 HydrophobicContact CG2-CD2 3.4Å; I176-W459 VanDerWaalsContact CG2-CD2 3.4Å; I176-W459 HydrophobicContact CG2-CE3 3.89Å; I176-W459 HydrophobicContact CG2-CG 3.74Å; I176-W459 HydrophobicContact CG2-CH2 4.19Å; I176-W459 HydrophobicContact CG2-CZ2 3.74Å; I176-W459 HydrophobicContact CG2-CZ3 4.26Å; M177-W459 HydrophobicContact CG-CH2 4.45Å; M177-W459 HydrophobicContact CG-CZ2 3.97Å; N180-W459 HydrophobicContact CB-CH2 3.84Å; N180-W459 HydrophobicContact CB-CZ3 3.66Å; N180-W459 WeakPolarHBondContact ND2-CZ3 3.23Å; F182-W459 AromaticContact CD2-CH2 3.92Å; F182-W459 HydrophobicContact CD2-CH2 3.92Å; F182-W459 AromaticContact CE2-CH2 3.97Å; F182-W459 HydrophobicContact CE2-CH2 3.97Å; F182-W459 HydrophobicContact CE2-CZ3 4.23Å; L455-W459 WeakPolarHBondContact O-CB 3.41Å; L455-W459 PolarHBondContact O-N 3.32Å; W459-A462 HydrophobicContact CD2-CB 4.31Å; W459-A462 HydrophobicContact CE3-CB 3.82Å; W459-A462 HydrophobicContact CH2-CB 3.98Å; W459-A462 HydrophobicContact CZ2-CB 4.44Å; W459-A462 HydrophobicContact CZ3-CB 3.63Å; W459-A463 HydrophobicContact CE3-CB 4.36Å; W459-A463 HydrophobicContact CZ3-CB 4.3Å
460P95.7Very high97.4Very high81 Ų8128.8 Ų28.853%0.52615%0.151SC..THydrogen-bonded Turncis-91.610.3836.7-37000114.7A462 A463 L485P460-A462 VanDerWaalsContact C-N 3.31Å; P460-A462 PolarHBondContact O-N 3.22Å; P460-A463 WeakPolarHBondContact O-CB 3.27Å; P460-A463 PolarHBondContact O-N 2.8Å; P460-L485 HydrophobicContact CB-CD1 4.26Å
461R96.4Very high97.4Very high29 Ų2926.4 Ų26.411%0.10914%0.139CC..Hα-helixtrans-59.6-39.6-175.4-64.8-169-62.8151.9-0.1112.9L406 D414 F418 F457 L458 A463 A464L406-R461 HydrophobicContact CD2-CB 3.67Å; L406-R461 HydrophobicContact CG-CB 4.22Å; L406-R461 VanDerWaalsContact O-CZ 3.26Å; L406-R461 PolarHBondContact O-NH1 2.05Å; L406-R461 PolarHBondContact O-NH2 3.09Å; D414-R461 WeakPolarHBondContact OD1-CD 3.43Å; D414-R461 WeakPolarHBondContact OD2-CD 3.14Å; D414-R461 IonicContact OD2-CZ 2.63Å; D414-R461 IonicContact OD2-NH1 3.88Å; D414-R461 PolarHBondContact OD2-NH1 3.4Å; F418-R461 HydrophobicContact CD2-CB 4.33Å; F418-R461 HydrophobicContact CE2-CB 4.33Å; F457-R461 PolarHBondContact O-NE 3.05Å; F457-R461 PolarHBondContact O-NH2 3.34Å; L458-R461 PolarHBondContact O-N 3.05Å; L458-R461 VanDerWaalsContact O-N 3.1Å; R461-A463 VanDerWaalsContact C-N 3.28Å; R461-A463 PolarHBondContact O-N 2.71Å; R461-A464 VanDerWaalsContact O-CB 3.3Å; R461-A464 WeakPolarHBondContact O-CB 3.16Å; R461-A464 PolarHBondContact O-N 2.82Å
462A98.1Very high97.4Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-65.8-28.7177.100000112.8I156 F182 L406 V442 L458 W459 P460 A464 A465 G466I156-A462 HydrophobicContact CD1-CB 4.18Å; F182-A462 WeakPolarHBondContact CE2-O 3.33Å; F182-A462 WeakPolarHBondContact CZ-O 3.33Å; L406-A462 HydrophobicContact CD2-CB 4.1Å; V442-A462 HydrophobicContact CG1-CB 4.01Å; V442-A462 HydrophobicContact CG2-CB 4.24Å; L458-A462 HydrophobicContact CD1-CB 3.78Å; L458-A462 HydrophobicContact CG-CB 3.91Å; L458-A462 WeakPolarHBondContact O-CB 3.42Å; L458-A462 PolarHBondContact O-N 3.44Å; W459-A462 HydrophobicContact CD2-CB 4.31Å; W459-A462 HydrophobicContact CE3-CB 3.82Å; W459-A462 HydrophobicContact CH2-CB 3.98Å; W459-A462 HydrophobicContact CZ2-CB 4.44Å; W459-A462 HydrophobicContact CZ3-CB 3.63Å; P460-A462 VanDerWaalsContact C-N 3.31Å; P460-A462 PolarHBondContact O-N 3.22Å; A462-A464 PolarHBondContact O-N 2.77Å; A462-A465 PolarHBondContact O-N 3.1Å; A462-A465 VanDerWaalsContact O-N 3.08Å; A462-G466 PolarHBondContact O-N 2.95Å
463A97.9Very high97.2Very high2 Ų223 Ų232%0.01712%0.121CC..Hα-helixtrans-59.7-32.617700000111.9W10 N180 W459 P460 R461 G466 E467 L485W10-A463 WeakPolarHBondContact CZ2-O 3.39Å; W10-A463 PolarHBondContact NE1-O 3.22Å; N180-A463 WeakPolarHBondContact OD1-CB 3.43Å; W459-A463 HydrophobicContact CE3-CB 4.36Å; W459-A463 HydrophobicContact CZ3-CB 4.3Å; P460-A463 WeakPolarHBondContact O-CB 3.27Å; P460-A463 PolarHBondContact O-N 2.8Å; R461-A463 VanDerWaalsContact C-N 3.28Å; R461-A463 PolarHBondContact O-N 2.71Å; A463-G466 PolarHBondContact O-N 3.18Å; A463-E467 PolarHBondContact O-N 2.86Å; A463-L485 HydrophobicContact CB-CD1 3.8Å
464A97.5Very high97.1Very high0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-59.3-44.9174.200000112.7W415 F418 Y419 R461 A462 R468W415-A464 HydrophobicContact CB-CB 4.24Å; W415-A464 HydrophobicContact CE3-CB 4.06Å; F418-A464 HydrophobicContact CB-CB 4.1Å; Y419-A464 HydrophobicContact CD2-CB 4.42Å; R461-A464 VanDerWaalsContact O-CB 3.3Å; R461-A464 WeakPolarHBondContact O-CB 3.16Å; R461-A464 PolarHBondContact O-N 2.82Å; A462-A464 PolarHBondContact O-N 2.77Å; A464-R468 PolarHBondContact O-N 2.94Å
465A97.4Very high96.9Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-69.8-38.4174.500000111.3F182 W404 V442 A462 E467 R468 L469F182-A465 HydrophobicContact CZ-CB 4.39Å; W404-A465 HydrophobicContact CD2-CB 3.93Å; W404-A465 HydrophobicContact CG-CB 3.94Å; W404-A465 HydrophobicContact CZ2-CB 4.21Å; V442-A465 HydrophobicContact CG2-CB 3.37Å; A462-A465 PolarHBondContact O-N 3.1Å; A462-A465 VanDerWaalsContact O-N 3.08Å; A465-E467 PolarHBondContact O-N 3.41Å; A465-R468 WeakPolarHBondContact O-CB 3.48Å; A465-R468 PolarHBondContact O-N 3.43Å; A465-L469 WeakPolarHBondContact O-CB 3.27Å; A465-L469 VanDerWaalsContact O-CG 3.3Å; A465-L469 WeakPolarHBondContact O-CG 3.39Å; A465-L469 PolarHBondContact O-N 3.33Å
466G98Very high96.6Very high1 Ų132.9 Ų32.91%0.0118%0.176CC..Hα-helixtrans-55.5-47.817600000112.4F182 A462 A463 L469 W470F182-G466 VanDerWaalsContact CE2-CA 3.44Å; F182-G466 VanDerWaalsContact CZ-CA 3.48Å; A462-G466 PolarHBondContact O-N 2.95Å; A463-G466 PolarHBondContact O-N 3.18Å; G466-L469 PolarHBondContact O-N 3.03Å; G466-W470 VanDerWaalsContact O-CB 3.29Å; G466-W470 WeakPolarHBondContact O-CB 3.21Å; G466-W470 PolarHBondContact O-N 3.1Å
467E98.3Very high96.6Very high1 Ų131.5 Ų31.51%0.00517%0.172CC..Hα-helixtrans-64.7-41.8176.5179.8155.3110.200112.5W10 P11 M12 Y419 A463 A465 L469 W470 S471 R484W10-E467 HydrophobicContact CD2-CB 4.45Å; W10-E467 HydrophobicContact CH2-CB 4.1Å; W10-E467 HydrophobicContact CH2-CG 4.4Å; W10-E467 WeakPolarHBondContact CH2-OE1 3.01Å; W10-E467 HydrophobicContact CZ2-CB 3.42Å; W10-E467 VanDerWaalsContact CZ2-CB 3.42Å; W10-E467 HydrophobicContact CZ2-CG 4.17Å; W10-E467 WeakPolarHBondContact CZ3-OE1 3.34Å; P11-E467 VanDerWaalsContact CA-OE2 3.3Å; P11-E467 WeakPolarHBondContact CA-OE2 3.2Å; P11-E467 HydrophobicContact CB-CB 4.12Å; P11-E467 HydrophobicContact CB-CG 4.25Å; P11-E467 HydrophobicContact CG-CB 4.37Å; M12-E467 PolarHBondContact N-OE2 3.27Å; Y419-E467 HydrophobicContact CE2-CB 4.05Å; Y419-E467 HydrophobicContact CE2-CG 3.8Å; Y419-E467 WeakPolarHBondContact CE2-OE1 3.02Å; Y419-E467 PolarHBondContact OH-OE1 2.98Å; A463-E467 PolarHBondContact O-N 2.86Å; A465-E467 PolarHBondContact O-N 3.41Å; E467-L469 VanDerWaalsContact C-N 3.26Å; E467-L469 PolarHBondContact O-N 3.04Å; E467-W470 PolarHBondContact O-N 3.35Å; E467-S471 WeakPolarHBondContact CG-OG 3.44Å; E467-S471 VanDerWaalsContact O-CB 3.25Å; E467-S471 WeakPolarHBondContact O-CB 3.36Å; E467-S471 PolarHBondContact O-N 3.08Å; E467-S471 PolarHBondContact O-OG 2.9Å; E467-R484 PolarHBondContact OE2-NH2 3.46Å; E467-R484 IonicContact OE2-NH2 3.42Å; E467-R484 PolarHBondContact OE2-NH1 2.78Å; E467-R484 IonicContact OE2-NH1 3.66Å; E467-R484 IonicContact OE2-CZ 3.88Å; E467-R484 IonicContact OE1-NH2 2.7Å; E467-R484 PolarHBondContact OE1-NH2 3.03Å; E467-R484 IonicContact OE1-CZ 2.67Å; E467-R484 IonicContact OE1-NH1 3.65Å; E467-R484 PolarHBondContact OE1-NH1 3.47Å
468R98Very high96.5Very high3 Ų329.4 Ų29.41%0.01117%0.165CC..Hα-helixtrans-61.5-34.9176.217354.763.5-131.5-21.7113.2W404 Y419 C421 A464 A465 Q475 S476W404-R468 HydrophobicContact CH2-CG 4.4Å; W404-R468 HydrophobicContact CZ2-CB 4.42Å; W404-R468 HydrophobicContact CZ2-CG 3.9Å; Y419-R468 PolarHBondContact O-NE 3.09Å; Y419-R468 PolarHBondContact O-NH2 3.49Å; C421-R468 WeakPolarHBondContact O-CD 3.22Å; C421-R468 WeakPolarHBondContact O-CG 3.31Å; A464-R468 PolarHBondContact O-N 2.94Å; A465-R468 WeakPolarHBondContact O-CB 3.48Å; A465-R468 PolarHBondContact O-N 3.43Å; R468-Q475 PolarHBondContact NH1-O 3.26Å; R468-Q475 PolarHBondContact NH2-O 2.88Å; R468-S476 VanDerWaalsContact NH2-CA 3.29Å
469L98.1Very high96.3Very high0 Ų033.3 Ų33.30%019%0.186CC..Hα-helixtrans-84.1-22.3179.8-68.4173.9000113.2F151 R154 F182 W404 P423 A465 G466 E467F151-L469 HydrophobicContact CB-CD2 4.48Å; F151-L469 HydrophobicContact CD2-CB 4.47Å; F151-L469 HydrophobicContact CD2-CD2 3.91Å; F151-L469 WeakPolarHBondContact CD2-O 3.4Å; F151-L469 HydrophobicContact CE2-CD2 4.32Å; F151-L469 HydrophobicContact CG-CD2 4.27Å; F151-L469 PolarHBondContact N-O 2.81Å; R154-L469 HydrophobicContact CB-CB 4.35Å; R154-L469 HydrophobicContact CB-CD1 4.24Å; R154-L469 HydrophobicContact CG-CB 3.83Å; R154-L469 HydrophobicContact CG-CD1 4.46Å; F182-L469 HydrophobicContact CE1-CD1 4.41Å; W404-L469 HydrophobicContact CH2-CD1 4.31Å; W404-L469 HydrophobicContact CH2-CD2 3.7Å; W404-L469 HydrophobicContact CH2-CG 3.95Å; W404-L469 HydrophobicContact CZ3-CD1 4.29Å; W404-L469 HydrophobicContact CZ3-CD2 4.05Å; W404-L469 HydrophobicContact CZ3-CG 4.38Å; P423-L469 HydrophobicContact CG-CD2 3.9Å; A465-L469 WeakPolarHBondContact O-CB 3.27Å; A465-L469 VanDerWaalsContact O-CG 3.3Å; A465-L469 WeakPolarHBondContact O-CG 3.39Å; A465-L469 PolarHBondContact O-N 3.33Å; G466-L469 PolarHBondContact O-N 3.03Å; E467-L469 VanDerWaalsContact C-N 3.26Å; E467-L469 PolarHBondContact O-N 3.04Å
470W98.4Very high96.1Very high0 Ų035 Ų350%021%0.206CC..Hα-helixtrans-93-57178.3-176.8-84.7000112.6P11 Q14 E98 Y100 R122 D147 P149 R150 K181 G466 E467P11-W470 HydrophobicContact CB-CB 3.7Å; P11-W470 HydrophobicContact CB-CG 3.72Å; P11-W470 HydrophobicContact CG-CB 3.84Å; P11-W470 HydrophobicContact CG-CG 4.07Å; Q14-W470 PolarHBondContact NE2-O 3.39Å; E98-W470 HydrophobicContact CB-CH2 4.21Å; E98-W470 HydrophobicContact CB-CZ3 4.46Å; Y100-W470 HydrophobicContact CE1-CZ2 4.09Å; R122-W470 HydrophobicContact CB-CH2 3.92Å; R122-W470 HydrophobicContact CB-CZ2 4.43Å; R122-W470 HydrophobicContact CG-CH2 3.67Å; R122-W470 HydrophobicContact CG-CZ3 4.07Å; D147-W470 VanDerWaalsContact CG-NE1 3.29Å; D147-W470 PolarHBondContact OD1-NE1 3.05Å; D147-W470 VanDerWaalsContact OD1-NE1 3.1Å; D147-W470 WeakPolarHBondContact OD2-CZ2 3.38Å; D147-W470 PolarHBondContact OD2-NE1 3.35Å; P149-W470 HydrophobicContact CB-CD2 4.18Å; P149-W470 HydrophobicContact CB-CE3 3.71Å; P149-W470 HydrophobicContact CB-CH2 4.29Å; P149-W470 HydrophobicContact CB-CZ3 3.77Å; P149-W470 HydrophobicContact CG-CH2 4.41Å; P149-W470 HydrophobicContact CG-CZ3 4.16Å; R150-W470 WeakPolarHBondContact CB-O 3.41Å; R150-W470 PolarHBondContact N-O 3.48Å; K181-W470 HydrophobicContact CB-CD2 4.01Å; K181-W470 HydrophobicContact CB-CE3 3.44Å; K181-W470 VanDerWaalsContact CB-CE3 3.44Å; K181-W470 HydrophobicContact CB-CZ3 3.75Å; K181-W470 HydrophobicContact CD-CD2 3.57Å; K181-W470 VanDerWaalsContact CD-CE2 3.47Å; K181-W470 HydrophobicContact CD-CE3 3.74Å; K181-W470 HydrophobicContact CD-CG 4.27Å; K181-W470 HydrophobicContact CD-CH2 3.87Å; K181-W470 HydrophobicContact CD-CZ2 3.65Å; K181-W470 HydrophobicContact CD-CZ3 3.88Å; K181-W470 HydrophobicContact CG-CD2 4.45Å; K181-W470 HydrophobicContact CG-CE3 4.23Å; K181-W470 HydrophobicContact CG-CZ3 4.36Å; G466-W470 VanDerWaalsContact O-CB 3.29Å; G466-W470 WeakPolarHBondContact O-CB 3.21Å; G466-W470 PolarHBondContact O-N 3.1Å; E467-W470 PolarHBondContact O-N 3.35Å
471S98.2Very high96Very high0 Ų031.2 Ų31.20%018%0.182CC..SBendtrans-76.2168.1-165.2-59.40000113.9M12 R150 E467M12-S471 PolarHBondContact N-OG 2.93Å; M12-S471 VanDerWaalsContact O-CB 3.27Å; M12-S471 WeakPolarHBondContact O-CB 3.45Å; M12-S471 PolarHBondContact O-OG 3.41Å; R150-S471 VanDerWaalsContact CD-O 3.29Å; R150-S471 WeakPolarHBondContact CD-O 3.43Å; E467-S471 WeakPolarHBondContact CG-OG 3.44Å; E467-S471 VanDerWaalsContact O-CB 3.25Å; E467-S471 WeakPolarHBondContact O-CB 3.36Å; E467-S471 PolarHBondContact O-N 3.08Å; E467-S471 PolarHBondContact O-OG 2.9Å
472S96.8Very high95.9Very high27 Ų2731.9 Ų31.919%0.18919%0.187CC..  trans-54.7147.6174.2177.40000111.7L474 Q475S472-L474 PolarHBondContact O-N 2.75Å; S472-L474 PolarHBondContact OG-N 3.33Å; S472-Q475 WeakPolarHBondContact O-CB 3.22Å; S472-Q475 PolarHBondContact O-N 3.36Å
473V95.4Very high95.6Very high68 Ų6833.3 Ų33.341%0.41220%0.197SC..THydrogen-bonded Turntrans-56.4-24.917366.70000112.8D422 Q475D422-V473 WeakPolarHBondContact OD2-CG2 3.36Å; V473-Q475 PolarHBondContact O-N 2.78Å
474L94.6Very high95.4Very high143 Ų14334.8 Ų34.875%0.74920%0.202SC*.THydrogen-bonded Turntrans-69.1-20.9176.7-57.5179.2000112.7S472 S476S472-L474 PolarHBondContact O-N 2.75Å; S472-L474 PolarHBondContact OG-N 3.33Å; L474-S476 VanDerWaalsContact C-N 3.33Å; L474-S476 PolarHBondContact O-N 3.03Å; L474-S476 VanDerWaalsContact O-N 3.08Å
475Q93.7Very high95.1Very high66 Ų6638.3 Ų38.331%0.30822%0.22SC..  trans-82.579.3173.4-62.2-59.8-20.600109.4M12 Y419 R468 S472 V473M12-Q475 HydrophobicContact CB-CG 4.31Å; M12-Q475 HydrophobicContact CG-CG 4.25Å; Y419-Q475 PolarHBondContact OH-O 3.42Å; R468-Q475 PolarHBondContact NH1-O 3.26Å; R468-Q475 PolarHBondContact NH2-O 2.88Å; S472-Q475 WeakPolarHBondContact O-CB 3.22Å; S472-Q475 PolarHBondContact O-N 3.36Å; V473-Q475 PolarHBondContact O-N 2.78Å
476S92.4Very high95Very high61 Ų6140.3 Ų40.343%0.42723%0.231SC..  trans-130.9-5.1-175.359.90000116.4R468 L474 A478R468-S476 VanDerWaalsContact NH2-CA 3.29Å; L474-S476 VanDerWaalsContact C-N 3.33Å; L474-S476 PolarHBondContact O-N 3.03Å; L474-S476 VanDerWaalsContact O-N 3.08Å; S476-A478 PolarHBondContact O-N 3.26Å
477N94.5Very high94.9Very high95 Ų9542.3 Ų42.351%0.50824%0.243SC..  trans-83.7109.4174.5-174.4-29.8000110.8D479 A480 A481N477-D479 PolarHBondContact OD1-N 2.86Å; N477-A480 PolarHBondContact O-N 3.02Å; N477-A480 PolarHBondContact OD1-N 2.64Å; N477-A480 VanDerWaalsContact OD1-N 3.1Å; N477-A480 HydrophobicContact CB-CB 3.96Å; N477-A481 PolarHBondContact O-N 3.1Å
478A93.5Very high94.7Very high10 Ų1044.6 Ų44.68%0.08326%0.256CS..Hα-helixtrans-65.4-36.5179.800000112.9W415 R416 Y419 S476 A480 A481 L482W415-A478 HydrophobicContact CH2-CB 4.07Å; W415-A478 VanDerWaalsContact CH2-O 3.31Å; W415-A478 WeakPolarHBondContact CH2-O 3.22Å; W415-A478 HydrophobicContact CZ3-CB 4.18Å; R416-A478 HydrophobicContact CB-CB 4.29Å; R416-A478 HydrophobicContact CG-CB 4.01Å; Y419-A478 HydrophobicContact CD1-CB 3.81Å; Y419-A478 HydrophobicContact CE1-CB 4.42Å; Y419-A478 HydrophobicContact CG-CB 4.46Å; S476-A478 PolarHBondContact O-N 3.26Å; A478-A480 VanDerWaalsContact C-N 3.31Å; A478-A480 PolarHBondContact O-N 3.18Å; A478-A481 PolarHBondContact O-N 3.43Å; A478-A481 VanDerWaalsContact O-N 3.09Å; A478-A481 WeakPolarHBondContact O-CB 2.87Å; A478-L482 PolarHBondContact O-N 3.37Å
479D92.3Very high94.5Very high83 Ų8347.1 Ų47.144%0.44427%0.271SS..Hα-helixtrans-70.3-30.7-179.8-65.7-34.6000112.1R416 N477 A481R416-D479 IonicContact CZ-OD1 2.84Å; R416-D479 IonicContact NE-OD1 2.78Å; R416-D479 PolarHBondContact NE-OD1 2.66Å; R416-D479 IonicContact NH2-OD1 3.35Å; N477-D479 PolarHBondContact OD1-N 2.86Å; D479-A481 VanDerWaalsContact C-N 3.32Å
480A92.5Very high94.3Very high65 Ų6550 Ų5054%0.53729%0.288SS..Hα-helixtrans-73.3-23.9170.800000113N477 A478N477-A480 PolarHBondContact O-N 3.02Å; N477-A480 PolarHBondContact OD1-N 2.64Å; N477-A480 VanDerWaalsContact OD1-N 3.1Å; N477-A480 HydrophobicContact CB-CB 3.96Å; A478-A480 VanDerWaalsContact C-N 3.31Å; A478-A480 PolarHBondContact O-N 3.18Å
481A94.1Very high94Very high1 Ų153.3 Ų53.31%0.00831%0.307CS..Hα-helixtrans-83.1-32.1178.700000112.8W10 Y419 N477 A478 D479 P483 R484 L485W10-A481 HydrophobicContact CH2-CB 4.2Å; W10-A481 HydrophobicContact CZ3-CB 4Å; Y419-A481 HydrophobicContact CE1-CB 4.02Å; Y419-A481 HydrophobicContact CE2-CB 3.91Å; N477-A481 PolarHBondContact O-N 3.1Å; A478-A481 PolarHBondContact O-N 3.43Å; A478-A481 VanDerWaalsContact O-N 3.09Å; A478-A481 WeakPolarHBondContact O-CB 2.87Å; D479-A481 VanDerWaalsContact C-N 3.32Å; A481-P483 VanDerWaalsContact C-N 3.31Å; A481-P483 VanDerWaalsContact O-N 3.12Å; A481-R484 PolarHBondContact O-N 3.02Å; A481-L485 PolarHBondContact O-N 3.09Å
482L93.3Very high93.7Very high43 Ų4357.1 Ų57.123%0.22533%0.329CS..THydrogen-bonded Turntrans-49.4-37.3-176.5174.965000115.2F2 W415 A478 R484F2-L482 HydrophobicContact CD2-CD2 3.44Å; F2-L482 VanDerWaalsContact CD2-CD2 3.44Å; F2-L482 HydrophobicContact CD2-CG 4.43Å; F2-L482 HydrophobicContact CE2-CD2 3.49Å; F2-L482 VanDerWaalsContact CE2-CD2 3.49Å; F2-L482 HydrophobicContact CG-CD2 4Å; F2-L482 HydrophobicContact CZ-CD2 4.07Å; W415-L482 HydrophobicContact CH2-CB 4.15Å; W415-L482 HydrophobicContact CZ2-CB 4.04Å; W415-L482 HydrophobicContact CZ2-CD1 3.81Å; W415-L482 HydrophobicContact CZ2-CG 4.45Å; A478-L482 PolarHBondContact O-N 3.37Å; L482-R484 PolarHBondContact O-N 2.78Å
483P92.6Very high93.4Very high30 Ų3059.5 Ų59.520%0.19534%0.339CS..THydrogen-bonded Turntrans-65.4-21.8177-27.238.2000115.9F2 T5 A481F2-P483 HydrophobicContact CB-CG 4.41Å; F2-P483 HydrophobicContact CD1-CG 4.36Å; T5-P483 HydrophobicContact CG2-CB 3.84Å; T5-P483 PolarHBondContact N-O 3.35Å; T5-P483 PolarHBondContact OG1-O 2.84Å; A481-P483 VanDerWaalsContact C-N 3.31Å; A481-P483 VanDerWaalsContact O-N 3.12Å
484R93.8Very high93.3Very high33 Ų3358.8 Ų58.813%0.12533%0.333CS..THydrogen-bonded Turntrans-96.5-30.5-178.4-67.7-176.4-63.698.64.4113.3T5 M8 P9 W10 E467 A481 L482T5-R484 HydrophobicContact CG2-CG 4.2Å; T5-R484 WeakPolarHBondContact OG1-CA 3.47Å; T5-R484 VanDerWaalsContact OG1-CG 3.27Å; T5-R484 WeakPolarHBondContact OG1-CG 3.35Å; M8-R484 HydrophobicContact CB-CG 4Å; P9-R484 PolarHBondContact O-NH1 3.25Å; P9-R484 VanDerWaalsContact O-NH1 3.16Å; W10-R484 HydrophobicContact CE3-CB 3.98Å; W10-R484 HydrophobicContact CZ3-CB 4.42Å; E467-R484 PolarHBondContact OE2-NH2 3.46Å; E467-R484 IonicContact OE2-NH2 3.42Å; E467-R484 PolarHBondContact OE2-NH1 2.78Å; E467-R484 IonicContact OE2-NH1 3.66Å; E467-R484 IonicContact OE2-CZ 3.88Å; E467-R484 IonicContact OE1-NH2 2.7Å; E467-R484 PolarHBondContact OE1-NH2 3.03Å; E467-R484 IonicContact OE1-CZ 2.67Å; E467-R484 IonicContact OE1-NH1 3.65Å; E467-R484 PolarHBondContact OE1-NH1 3.47Å; A481-R484 PolarHBondContact O-N 3.02Å; L482-R484 PolarHBondContact O-N 2.78Å
485L92.1Very high93.1Very high75 Ų7551.1 Ų51.139%0.39330%0.296SS..  trans-750174.3-174.661.7000110.4W10 W415 P460 A463 A481W10-L485 HydrophobicContact CD2-CD1 4.11Å; W10-L485 HydrophobicContact CE3-CB 3.94Å; W10-L485 HydrophobicContact CE3-CD1 4.3Å; W10-L485 HydrophobicContact CH2-CB 3.87Å; W10-L485 HydrophobicContact CH2-CD1 4Å; W10-L485 HydrophobicContact CH2-CD2 4.2Å; W10-L485 HydrophobicContact CH2-CG 4.25Å; W10-L485 HydrophobicContact CZ2-CB 4.5Å; W10-L485 HydrophobicContact CZ2-CD1 3.76Å; W10-L485 HydrophobicContact CZ2-CD2 4.5Å; W10-L485 HydrophobicContact CZ2-CG 4.49Å; W10-L485 HydrophobicContact CZ3-CB 3.56Å; W10-L485 HydrophobicContact CZ3-CD1 4.26Å; W10-L485 HydrophobicContact CZ3-CG 4.38Å; W415-L485 HydrophobicContact CD2-CD2 3.68Å; W415-L485 HydrophobicContact CE3-CD2 3.53Å; W415-L485 HydrophobicContact CG-CD2 4.25Å; W415-L485 HydrophobicContact CH2-CD2 4.19Å; W415-L485 HydrophobicContact CZ2-CD2 4.36Å; W415-L485 HydrophobicContact CZ3-CD2 3.79Å; P460-L485 HydrophobicContact CB-CD1 4.26Å; A463-L485 HydrophobicContact CB-CD1 3.8Å; A481-L485 PolarHBondContact O-N 3.09Å

Retrieved 485 of 485 residues in 412.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).