A0A087Y4P1_POEFO Loading...

Eukaryotic translation initiation factor 2D

Translation initiation factor that is able to deliver tRNA to the P-site of the eukaryotic ribosome in a GTP-independent manner. The binding of Met-tRNA(I) occurs after the AUG codon finds its position in the P-site of 40S ribosomes, the situation that takes place during initiation complex formation on some specific RNAs. Its activity in tRNA binding with 40S subunits does not require the presence of the aminoacyl moiety. Possesses the unique ability to deliver non-Met (elongator) tRNAs into the P-site of the 40S subunit. In addition to its role in initiation, can promote release of deacylated tRNA and mRNA from recycled 40S subunits following ABCE1-mediated dissociation of post-termination ribosomal complexes into subunits.

AlphaFold DB , UniProt , Accession A0A087Y4P1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.8Confident85.9Confident53 Ų5376.7 Ų76.726%0.26138%0.383SS..  0-63.10-156179.5-157.600111.6A3 E59 V61 V75 V168 L169M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.35Å; M1-A3 VanDerWaalsContact O-N 3.12Å; M1-E59 HydrophobicContact CE-CB 3.91Å; M1-E59 HydrophobicContact CE-CG 4.46Å; M1-E59 VanDerWaalsContact CE-OE2 3.23Å; M1-E59 WeakPolarHBondContact CE-OE2 3.31Å; M1-V61 HydrophobicContact CE-CG2 3.5Å; M1-V61 HydrophobicContact SD-CG2 3.89Å; M1-V75 HydrophobicContact CE-CG1 3.93Å; M1-V75 HydrophobicContact CE-CG2 4.13Å; M1-V75 HydrophobicContact SD-CG2 3.89Å; M1-V168 PolarHBondContact N-O 3.32Å; M1-L169 WeakPolarHBondContact CA-O 3.32Å; M1-L169 WeakPolarHBondContact CB-O 3.5Å; M1-L169 PolarHBondContact N-O 3.25Å
2F86.6Confident86.2Confident3 Ų376.5 Ų76.51%0.01339%0.389CS..  trans-8528.1-168.9-45.1-75.5000116K4 F6 I53 V61 F73 L169 H170 D174 Y175 L176F2-K4 PolarHBondContact O-N 2.96Å; F2-F6 HydrophobicContact CB-CD1 4.48Å; F2-F6 AromaticContact CD1-CD1 3.93Å; F2-F6 HydrophobicContact CD1-CD1 3.93Å; F2-F6 HydrophobicContact CD1-CE1 4.23Å; F2-I53 HydrophobicContact CD1-CD1 4.29Å; F2-I53 HydrophobicContact CE1-CD1 3.84Å; F2-V61 HydrophobicContact CE1-CG1 4.34Å; F2-V61 HydrophobicContact CE1-CG2 4.3Å; F2-V61 HydrophobicContact CZ-CG1 4.13Å; F2-F73 AromaticContact CE2-CD2 3.88Å; F2-F73 HydrophobicContact CE2-CD2 3.88Å; F2-F73 AromaticContact CE2-CE2 3.79Å; F2-F73 HydrophobicContact CE2-CE2 3.79Å; F2-F73 HydrophobicContact CE2-CG 4.31Å; F2-F73 HydrophobicContact CE2-CZ 4.13Å; F2-F73 AromaticContact CZ-CD2 3.8Å; F2-F73 HydrophobicContact CZ-CD2 3.8Å; F2-F73 HydrophobicContact CZ-CE2 4.09Å; F2-F73 HydrophobicContact CZ-CG 4.32Å; F2-L169 WeakPolarHBondContact CD2-O 3.47Å; F2-L169 PolarHBondContact N-O 3.27Å; F2-H170 HydrophobicContact CD2-CB 4.07Å; F2-H170 HydrophobicContact CE2-CB 4.19Å; F2-D174 HydrophobicContact CB-CB 4.44Å; F2-Y175 WeakPolarHBondContact O-CB 3.32Å; F2-Y175 WeakPolarHBondContact O-CD2 3.41Å; F2-Y175 PolarHBondContact O-N 2.78Å; F2-L176 HydrophobicContact CB-CB 3.96Å; F2-L176 HydrophobicContact CD1-CB 4.4Å; F2-L176 HydrophobicContact CD2-CB 3.72Å; F2-L176 HydrophobicContact CD2-CD2 3.65Å; F2-L176 HydrophobicContact CD2-CG 4.34Å; F2-L176 HydrophobicContact CE2-CB 4.38Å; F2-L176 HydrophobicContact CE2-CD2 3.46Å; F2-L176 VanDerWaalsContact CE2-CD2 3.46Å; F2-L176 HydrophobicContact CG-CB 3.75Å; F2-L176 HydrophobicContact CG-CD2 4.34Å; F2-L176 HydrophobicContact CZ-CD2 4Å
3A84.1Confident86.3Confident40 Ų4076.3 Ų76.333%0.33139%0.394SS..SBendtrans-73.89.4178.100000114.4M1M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.35Å; M1-A3 VanDerWaalsContact O-N 3.12Å
4K85.3Confident86.3Confident112 Ų11271.7 Ų71.749%0.48737%0.37SS..SBendtrans-144.8152.5176.9-71.8-164.4-179.3-177.30109.4F2 F6 H56F2-K4 PolarHBondContact O-N 2.96Å; K4-F6 PolarHBondContact O-N 2.97Å; K4-H56 HydrophobicContact CB-CB 3.97Å; K4-H56 HydrophobicContact CD-CB 4.24Å; K4-H56 WeakPolarHBondContact CD-CD2 3.22Å; K4-H56 PolarHBondContact NZ-NE2 3.47Å
5P83.2Confident86.2Confident70 Ų7076.7 Ų76.746%0.45539%0.388SS..  trans-61.1130.3-178.925.2-33.4000110.7Y175P5-Y175 HydrophobicContact CB-CD1 3.93Å; P5-Y175 HydrophobicContact CB-CE1 3.77Å; P5-Y175 HydrophobicContact CB-CG 4.5Å; P5-Y175 HydrophobicContact CG-CE1 4.3Å
6F86.6Confident86Confident34 Ų3474.8 Ų74.815%0.14939%0.394CS..  trans-98.5160.9174.755.2-104.5000111F2 K4 I53 Y54 L63 Y175 L176 F179F2-F6 HydrophobicContact CB-CD1 4.48Å; F2-F6 AromaticContact CD1-CD1 3.93Å; F2-F6 HydrophobicContact CD1-CD1 3.93Å; F2-F6 HydrophobicContact CD1-CE1 4.23Å; K4-F6 PolarHBondContact O-N 2.97Å; F6-I53 HydrophobicContact CB-CD1 4.16Å; F6-I53 HydrophobicContact CD1-CD1 4Å; F6-I53 HydrophobicContact CD2-CB 3.9Å; F6-I53 HydrophobicContact CD2-CD1 3.62Å; F6-I53 HydrophobicContact CD2-CG1 4.34Å; F6-I53 HydrophobicContact CD2-CG2 3.86Å; F6-I53 HydrophobicContact CE1-CD1 4.24Å; F6-I53 HydrophobicContact CE2-CB 4.43Å; F6-I53 HydrophobicContact CE2-CD1 3.91Å; F6-I53 HydrophobicContact CE2-CG2 3.93Å; F6-I53 HydrophobicContact CG-CD1 3.67Å; F6-I53 HydrophobicContact CZ-CD1 4.21Å; F6-Y54 WeakPolarHBondContact CA-O 3.25Å; F6-Y54 VanDerWaalsContact CB-O 3.32Å; F6-Y54 WeakPolarHBondContact CB-O 3.38Å; F6-L63 HydrophobicContact CZ-CD1 4.46Å; F6-Y175 VanDerWaalsContact CE1-O 3.28Å; F6-Y175 WeakPolarHBondContact CE1-O 3.34Å; F6-L176 HydrophobicContact CE1-CB 4.22Å; F6-L176 HydrophobicContact CZ-CD1 4.48Å; F6-F179 HydrophobicContact CE2-CD2 4.26Å; F6-F179 HydrophobicContact CZ-CB 4.14Å; F6-F179 HydrophobicContact CZ-CD2 4.19Å; F6-F179 HydrophobicContact CZ-CG 4.25Å
7R84.5Confident85.8Confident199 Ų19974.2 Ų74.275%0.75140%0.397SS*.EExtended strand (participates in β ladder)trans-107.4124.1177.9-176.8176176.9-178.11110.7K9 I53 Y54R7-K9 PolarHBondContact O-N 3.04Å; R7-I53 CarbonylContact O-C 3.58Å; R7-I53 WeakPolarHBondContact O-CA 3.5Å; R7-Y54 PolarHBondContact N-O 2.96Å; R7-Y54 PolarHBondContact O-N 3.35Å
8V87.6Confident85.7Confident66 Ų6674.4 Ų74.440%0.440%0.398SS..EExtended strand (participates in β ladder)trans-66.8129.3168.3-179.80000109.7V51 I53 F179V8-V51 HydrophobicContact CB-CG1 4.48Å; V8-V51 HydrophobicContact CG1-CG1 3.66Å; V8-V51 HydrophobicContact CG2-CG1 4.07Å; V8-I53 HydrophobicContact CG2-CG2 4.09Å; V8-F179 HydrophobicContact CG2-CE2 4.49Å
9K87.3Confident85.7Confident132 Ų13272.2 Ų72.257%0.57438%0.384SS*.EExtended strand (participates in β ladder)trans-94.5-45.3175.6-170.6-166.6-168.4165.60111.5R7 K52 Y54R7-K9 PolarHBondContact O-N 3.04Å; K9-K52 WeakPolarHBondContact CB-O 3.37Å; K9-K52 PolarHBondContact N-O 3.35Å; K9-Y54 HydrophobicContact CB-CD2 4.21Å; K9-Y54 HydrophobicContact CB-CE2 4.18Å; K9-Y54 HydrophobicContact CD-CD2 4.37Å; K9-Y54 HydrophobicContact CD-CE2 3.52Å; K9-Y54 HydrophobicContact CG-CD2 4.42Å; K9-Y54 HydrophobicContact CG-CE2 3.94Å; K9-Y54 PolarHBondContact NZ-OH 3.31Å
10S88.2Confident85.6Confident44 Ų4478.1 Ų78.131%0.30840%0.4SS..EExtended strand (participates in β ladder)trans-160.6141.6-177.156.90000110.5K52S10-K52 PolarHBondContact N-O 2.92Å; S10-K52 PolarHBondContact O-N 3.32Å
11N90.1Very high85.7Confident91 Ų9180.4 Ų80.449%0.48741%0.407SS..EExtended strand (participates in β ladder)trans-111.5136.2165-175.816.4000108.9N49 V51N11-N49 PolarHBondContact ND2-OD1 2.86Å; N11-N49 WeakPolarHBondContact OD1-CB 3.26Å; N11-N49 PolarHBondContact OD1-OD1 3.27Å; N11-V51 HydrophobicContact CB-CG2 4.34Å
12T89.3Confident85.9Confident74 Ų7478 Ų7845%0.45440%0.395SS..EExtended strand (participates in β ladder)trans-148.1131-179.2480000111V50T12-V50 PolarHBondContact N-O 3.3Å; T12-V50 WeakPolarHBondContact O-CA 3.42Å; T12-V50 WeakPolarHBondContact O-CB 3.45Å; T12-V50 PolarHBondContact O-N 2.88Å; T12-V50 PolarHBondContact OG1-O 2.92Å
13V87.4Confident85.8Confident74 Ų7479.9 Ų79.945%0.44840%0.404SS..EExtended strand (participates in β ladder)trans-63.1136.7177.5-174.30000111.4K15V13-K15 PolarHBondContact O-N 3.11Å
14L86.6Confident85.9Confident12 Ų1280.7 Ų80.76%0.06341%0.411CS..PPolyproline II helixtrans-74.2118.1-177.2-174.769.4000111.6D18 R19 L22 I48 V50 Y64L14-D18 HydrophobicContact CD1-CB 3.53Å; L14-D18 HydrophobicContact CG-CB 4.32Å; L14-R19 HydrophobicContact CD2-CB 3.81Å; L14-R19 HydrophobicContact CD2-CG 4.01Å; L14-R19 HydrophobicContact CG-CB 4.12Å; L14-L22 HydrophobicContact CD2-CD2 3.93Å; L14-I48 HydrophobicContact CB-CB 4.1Å; L14-I48 HydrophobicContact CB-CG2 4.19Å; L14-I48 VanDerWaalsContact CB-O 3.23Å; L14-I48 WeakPolarHBondContact CB-O 3.32Å; L14-I48 HydrophobicContact CD2-CB 3.95Å; L14-I48 HydrophobicContact CD2-CD1 4.3Å; L14-I48 HydrophobicContact CD2-CG2 3.74Å; L14-I48 PolarHBondContact N-O 3.47Å; L14-V50 HydrophobicContact CB-CG2 3.83Å; L14-V50 HydrophobicContact CD1-CG2 3.53Å; L14-V50 HydrophobicContact CG-CG2 4.25Å; L14-Y64 HydrophobicContact CD1-CE1 4.22Å
15K84.8Confident86Confident146 Ų14678 Ų7864%0.63540%0.402SS*.PPolyproline II helixtrans-69.7156.2179.7-61.9-179.1178.4-178.30112.2V13 S17 D18 R19V13-K15 PolarHBondContact O-N 3.11Å; K15-S17 PolarHBondContact O-N 2.98Å; K15-D18 PolarHBondContact O-N 3.42Å; K15-R19 PolarHBondContact O-N 3.16Å
16G81.9Confident86.1Confident47 Ų4774.8 Ų74.849%0.48538%0.38SS..Hα-helixtrans-66.5-13.2178.300000115.7R20G16-R20 PolarHBondContact O-NE 3.16Å; G16-R20 PolarHBondContact O-NH2 3.18Å
17S83.1Confident86Confident64 Ų6476.2 Ų76.245%0.44840%0.395SS..Hα-helixtrans-72.3-52.5163.544.50000110.6K15 R19 R20 K21K15-S17 PolarHBondContact O-N 2.98Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.39Å; S17-R20 PolarHBondContact O-N 2.96Å; S17-R20 VanDerWaalsContact O-N 3.15Å; S17-K21 PolarHBondContact O-N 2.82Å
18D84.7Confident86.1Confident78 Ų7870.7 Ų70.742%0.41739%0.391SS..Hα-helixtrans-73.9-30.1-168.4-47.4-12000110.5L14 K15 K21 L22L14-D18 HydrophobicContact CD1-CB 3.53Å; L14-D18 HydrophobicContact CG-CB 4.32Å; K15-D18 PolarHBondContact O-N 3.42Å; D18-K21 PolarHBondContact O-N 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.37Å; D18-L22 PolarHBondContact O-N 3.32Å
19R84.9Confident85.8Confident33 Ų3369.8 Ų69.813%0.12539%0.391CS..Hα-helixtrans-66-38.7170.4-165.9-178.6-56.4-1533.9112.9L14 K15 S17 L22 K23 V42 P43 E46L14-R19 HydrophobicContact CD2-CB 3.81Å; L14-R19 HydrophobicContact CD2-CG 4.01Å; L14-R19 HydrophobicContact CG-CB 4.12Å; K15-R19 PolarHBondContact O-N 3.16Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.39Å; R19-L22 PolarHBondContact O-N 3.04Å; R19-K23 PolarHBondContact O-N 3.42Å; R19-V42 HydrophobicContact CG-CG1 3.75Å; R19-P43 PolarHBondContact NH1-O 2.85Å; R19-E46 VanDerWaalsContact CZ-O 3.23Å; R19-E46 PolarHBondContact NH1-O 2.68Å; R19-E46 PolarHBondContact NH2-O 2.81Å
20R84.9Confident85.6Confident189 Ų18964 Ų6471%0.71337%0.366SS*.Hα-helixtrans-68.3-40173.6-81.5179.3-75.8177.4-5.1111.1G16 S17 K23 A24G16-R20 PolarHBondContact O-NE 3.16Å; G16-R20 PolarHBondContact O-NH2 3.18Å; S17-R20 PolarHBondContact O-N 2.96Å; S17-R20 VanDerWaalsContact O-N 3.15Å; R20-K23 PolarHBondContact O-N 3.29Å; R20-A24 PolarHBondContact O-N 2.85Å; R20-A24 VanDerWaalsContact O-N 3.16Å
21K86.7Confident84.9Confident127 Ų12767.4 Ų67.455%0.55239%0.387SS*.Hα-helixtrans-60.7-47.2171.6-164.7-168.3178.4-76.90111.4S17 D18 K23 A24 D25S17-K21 PolarHBondContact O-N 2.82Å; D18-K21 PolarHBondContact O-N 3.31Å; K21-K23 VanDerWaalsContact C-N 3.32Å; K21-K23 PolarHBondContact O-N 2.81Å; K21-A24 WeakPolarHBondContact O-CB 3.3Å; K21-A24 PolarHBondContact O-N 3.49Å; K21-A24 VanDerWaalsContact O-N 3.07Å; K21-D25 IonicContact NZ-OD1 2.81Å; K21-D25 PolarHBondContact NZ-OD1 2.85Å; K21-D25 IonicContact NZ-OD2 3.12Å; K21-D25 PolarHBondContact NZ-OD2 3.02Å; K21-D25 VanDerWaalsContact O-CG 3.25Å; K21-D25 PolarHBondContact O-N 2.97Å
22L85.9Confident84Confident2 Ų266.8 Ų66.81%0.0139%0.39CS..Hα-helixtrans-57.8-41.4178.1-178.563.3000112.2L14 D18 R19 D25 L26 Y64 L79L14-L22 HydrophobicContact CD2-CD2 3.93Å; D18-L22 WeakPolarHBondContact O-CB 3.37Å; D18-L22 PolarHBondContact O-N 3.32Å; R19-L22 PolarHBondContact O-N 3.04Å; L22-D25 PolarHBondContact O-N 3.12Å; L22-L26 HydrophobicContact CD1-CD1 4.26Å; L22-L26 HydrophobicContact CD1-CG 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 HydrophobicContact CG-CG 4.42Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.05Å; L22-Y64 HydrophobicContact CD1-CD1 4.34Å; L22-Y64 HydrophobicContact CD1-CD2 4.37Å; L22-Y64 HydrophobicContact CD1-CE1 4.02Å; L22-Y64 HydrophobicContact CD1-CE2 4.06Å; L22-Y64 HydrophobicContact CD1-CG 4.5Å; L22-Y64 HydrophobicContact CD2-CD1 3.61Å; L22-Y64 HydrophobicContact CD2-CE1 3.83Å; L22-Y64 HydrophobicContact CD2-CG 4.1Å; L22-Y64 HydrophobicContact CG-CE1 4.45Å; L22-L79 HydrophobicContact CD1-CD1 3.87Å; L22-L79 HydrophobicContact CD1-CD2 4.25Å
23K85.6Confident83.3Confident43 Ų4364.3 Ų64.319%0.18737%0.374CS..Hα-helixtrans-63-39.8174.6-74.7-168.9170.3-171.40112.9R19 R20 K21 S27 L38 V42 N44R19-K23 PolarHBondContact O-N 3.42Å; R20-K23 PolarHBondContact O-N 3.29Å; K21-K23 VanDerWaalsContact C-N 3.32Å; K21-K23 PolarHBondContact O-N 2.81Å; K23-S27 WeakPolarHBondContact O-CB 3.42Å; K23-S27 PolarHBondContact O-N 2.96Å; K23-L38 WeakPolarHBondContact CE-O 3.43Å; K23-L38 PolarHBondContact NZ-O 2.83Å; K23-L38 VanDerWaalsContact NZ-O 3.17Å; K23-V42 HydrophobicContact CD-CG1 4.41Å; K23-V42 VanDerWaalsContact CE-CB 3.49Å; K23-V42 VanDerWaalsContact CE-CG1 3.48Å; K23-V42 WeakPolarHBondContact CE-O 3.11Å; K23-V42 HydrophobicContact CG-CB 4.31Å; K23-V42 HydrophobicContact CG-CG1 4.04Å; K23-V42 PolarHBondContact NZ-O 2.92Å; K23-N44 PolarHBondContact NZ-OD1 2.97Å
24A86.3Confident82.7Confident58 Ų5863 Ų6348%0.47937%0.369SS..Hα-helixtrans-68.3-44.1174.500000112.3R20 K21 L26 S27 A28R20-A24 PolarHBondContact O-N 2.85Å; R20-A24 VanDerWaalsContact O-N 3.16Å; K21-A24 WeakPolarHBondContact O-CB 3.3Å; K21-A24 PolarHBondContact O-N 3.49Å; K21-A24 VanDerWaalsContact O-N 3.07Å; A24-L26 VanDerWaalsContact C-N 3.29Å; A24-L26 PolarHBondContact O-N 3.3Å; A24-S27 PolarHBondContact O-N 3.02Å; A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 2.79Å
25D86.6Confident82.1Confident56 Ų5666.3 Ų66.330%0.29940%0.398SS..Hα-helixtrans-62-36.5176.7-63.5-32.2000111.3K21 L22 A29 L79K21-D25 IonicContact NZ-OD1 2.81Å; K21-D25 PolarHBondContact NZ-OD1 2.85Å; K21-D25 IonicContact NZ-OD2 3.12Å; K21-D25 PolarHBondContact NZ-OD2 3.02Å; K21-D25 VanDerWaalsContact O-CG 3.25Å; K21-D25 PolarHBondContact O-N 2.97Å; L22-D25 PolarHBondContact O-N 3.12Å; D25-A29 VanDerWaalsContact O-CB 3.25Å; D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 2.7Å; D25-A29 VanDerWaalsContact O-N 3.12Å; D25-L79 HydrophobicContact CB-CD1 3.8Å
26L85.6Confident81.6Confident1 Ų165.3 Ų65.31%0.00540%0.399CS..Hα-helixtrans-71.1-46.8174.9-74.7171.6000112.6L22 A24 A28 A29 F30 L38 V42 F72 L79L22-L26 HydrophobicContact CD1-CD1 4.26Å; L22-L26 HydrophobicContact CD1-CG 4.22Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 HydrophobicContact CG-CG 4.42Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.05Å; A24-L26 VanDerWaalsContact C-N 3.29Å; A24-L26 PolarHBondContact O-N 3.3Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.15Å; L26-A29 PolarHBondContact O-N 2.76Å; L26-F30 HydrophobicContact CD2-CD2 3.99Å; L26-F30 HydrophobicContact CD2-CE2 3.83Å; L26-F30 PolarHBondContact O-N 2.82Å; L26-L38 HydrophobicContact CB-CD2 3.92Å; L26-L38 HydrophobicContact CD1-CD2 4.42Å; L26-V42 HydrophobicContact CD1-CG2 3.8Å; L26-F72 HydrophobicContact CD1-CD2 3.97Å; L26-F72 HydrophobicContact CD1-CE2 3.49Å; L26-F72 VanDerWaalsContact CD1-CE2 3.49Å; L26-F72 HydrophobicContact CD1-CZ 3.99Å; L26-F72 HydrophobicContact CD2-CD1 3.79Å; L26-F72 HydrophobicContact CD2-CD2 3.9Å; L26-F72 HydrophobicContact CD2-CE1 3.51Å; L26-F72 HydrophobicContact CD2-CE2 3.64Å; L26-F72 HydrophobicContact CD2-CG 4Å; L26-F72 HydrophobicContact CD2-CZ 3.45Å; L26-F72 VanDerWaalsContact CD2-CZ 3.45Å; L26-F72 HydrophobicContact CG-CE2 4.23Å; L26-F72 HydrophobicContact CG-CZ 4.37Å; L26-L79 HydrophobicContact CD2-CB 4.47Å; L26-L79 HydrophobicContact CD2-CD1 3.77Å; L26-L79 HydrophobicContact CG-CD1 4.02Å
27S84.8Confident81.3Confident65 Ų6565.3 Ų65.346%0.45539%0.387SS..Hα-helixtrans-61.1-35177176.40000112.2K23 A24K23-S27 WeakPolarHBondContact O-CB 3.42Å; K23-S27 PolarHBondContact O-N 2.96Å; A24-S27 PolarHBondContact O-N 3.02Å
28A85.2Confident81.1Confident82 Ų8263.2 Ų63.268%0.67837%0.371SS*.Hα-helixtrans-74.9-25.9173.900000113.8A24 L26A24-A28 WeakPolarHBondContact O-CB 3.43Å; A24-A28 PolarHBondContact O-N 2.79Å; L26-A28 VanDerWaalsContact C-N 3.25Å; L26-A28 PolarHBondContact O-N 3.15Å
29A81.8Confident80.8Confident47 Ų4762.2 Ų62.239%0.38837%0.37SS..Hα-helixtrans-87.2-30.7179.100000113.4D25 L26D25-A29 VanDerWaalsContact O-CB 3.25Å; D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 2.7Å; D25-A29 VanDerWaalsContact O-N 3.12Å; L26-A29 PolarHBondContact O-N 2.76Å
30F82.9Confident80.6Confident10 Ų1065.9 Ų65.94%0.04439%0.388CS..  trans-134.281.1-174.4-50.5-65000110.8L26 S32 V33 F72 L92 L93L26-F30 HydrophobicContact CD2-CD2 3.99Å; L26-F30 HydrophobicContact CD2-CE2 3.83Å; L26-F30 PolarHBondContact O-N 2.82Å; F30-S32 PolarHBondContact O-N 3.08Å; F30-S32 VanDerWaalsContact O-N 3.11Å; F30-V33 HydrophobicContact CB-CG2 3.66Å; F30-V33 PolarHBondContact O-N 3.37Å; F30-F72 HydrophobicContact CE2-CE1 4.09Å; F30-L92 HydrophobicContact CB-CD1 3.71Å; F30-L92 HydrophobicContact CD1-CD1 4.06Å; F30-L92 HydrophobicContact CD1-CG 4.47Å; F30-L92 HydrophobicContact CD2-CD1 4.3Å; F30-L92 HydrophobicContact CG-CD1 3.75Å; F30-L93 HydrophobicContact CD1-CD2 4.14Å; F30-L93 HydrophobicContact CE1-CD2 3.71Å
31P74.8Confident80.2Confident116 Ų11657.1 Ų57.175%0.75336%0.356SS*.THydrogen-bonded Turntrans-64.6-13.9-177.6-23.335.2000114.9V33P31-V33 VanDerWaalsContact C-N 3.32Å
32S70.5Confident79.9Confident79 Ų7951.2 Ų51.255%0.55233%0.33SS*.THydrogen-bonded Turntrans-78.6-8.7177.747.90000114.4F30F30-S32 PolarHBondContact O-N 3.08Å; F30-S32 VanDerWaalsContact O-N 3.11Å
33V73.9Confident79.7Confident21 Ų2151.9 Ų51.913%0.12734%0.335CS..  trans-90.8124.6-175.9-167.90000110.6F30 P31 E37 L38 L41 L92F30-V33 HydrophobicContact CB-CG2 3.66Å; F30-V33 PolarHBondContact O-N 3.37Å; P31-V33 VanDerWaalsContact C-N 3.32Å; V33-E37 HydrophobicContact CG1-CB 3.56Å; V33-L38 HydrophobicContact CB-CD2 4.43Å; V33-L38 HydrophobicContact CB-CG 4.31Å; V33-L38 HydrophobicContact CG1-CD2 3.97Å; V33-L38 HydrophobicContact CG1-CG 3.78Å; V33-L41 HydrophobicContact CG1-CD1 4.47Å; V33-L92 HydrophobicContact CG2-CD1 3.23Å
34S75.6Confident79.2Confident48 Ų4855.9 Ų55.934%0.33636%0.358SS..  trans-67.4160.8176.465.30000112.7D36 E37 L38S34-D36 PolarHBondContact O-N 3.11Å; S34-E37 WeakPolarHBondContact CB-OE2 3.46Å; S34-E37 PolarHBondContact N-OE2 2.87Å; S34-E37 PolarHBondContact O-N 3.45Å; S34-E37 WeakPolarHBondContact OG-CB 3.13Å; S34-E37 WeakPolarHBondContact OG-CG 3.37Å; S34-E37 PolarHBondContact OG-N 2.95Å; S34-E37 PolarHBondContact OG-OE2 2.99Å; S34-L38 WeakPolarHBondContact O-CG 3.44Å; S34-L38 PolarHBondContact O-N 3.32Å
35A73.1Confident78.7Confident81 Ų8163 Ų6367%0.66938%0.378SS*.THydrogen-bonded Turntrans-61-30.4175.500000112.5S39A35-S39 PolarHBondContact O-N 3.32Å; A35-S39 VanDerWaalsContact O-N 3.09Å
36D74.6Confident78.4Confident124 Ų12463.7 Ų63.766%0.66338%0.379SS*.THydrogen-bonded Turntrans-76.3-42.5179.8-61.3-47.1000111.6S34 L38 S39 E40S34-D36 PolarHBondContact O-N 3.11Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.89Å; D36-S39 CarbonylContact O-C 3.53Å; D36-S39 VanDerWaalsContact O-CA 3.28Å; D36-S39 WeakPolarHBondContact O-CA 3.33Å; D36-S39 WeakPolarHBondContact O-CB 3.46Å; D36-S39 PolarHBondContact O-N 2.99Å; D36-S39 PolarHBondContact O-OG 3.44Å; D36-E40 PolarHBondContact O-N 3.48Å
37E76.8Confident78.3Confident48 Ų4869.7 Ų69.722%0.22441%0.408CS..Hα-helixtrans-64-37.2170.8-69.6167.8110.700111.9V33 S34 S39 E40 L41 H89V33-E37 HydrophobicContact CG1-CB 3.56Å; S34-E37 WeakPolarHBondContact CB-OE2 3.46Å; S34-E37 PolarHBondContact N-OE2 2.87Å; S34-E37 PolarHBondContact O-N 3.45Å; S34-E37 WeakPolarHBondContact OG-CB 3.13Å; S34-E37 WeakPolarHBondContact OG-CG 3.37Å; S34-E37 PolarHBondContact OG-N 2.95Å; S34-E37 PolarHBondContact OG-OE2 2.99Å; E37-S39 PolarHBondContact O-N 3.47Å; E37-E40 PolarHBondContact O-N 3.35Å; E37-L41 WeakPolarHBondContact O-CB 3.27Å; E37-L41 WeakPolarHBondContact O-CG 3.47Å; E37-L41 PolarHBondContact O-N 2.91Å; E37-H89 IonicContact OE1-CE1 3.7Å; E37-H89 IonicContact OE1-CG 3.21Å; E37-H89 IonicContact OE1-ND1 3.86Å; E37-H89 PolarHBondContact OE1-ND1 3.18Å
38L78.3Confident78.3Confident20 Ų2066.8 Ų66.811%0.10539%0.387CS..Hα-helixtrans-65.6-18.9169.2-72.8174.9000112.6K23 L26 V33 S34 D36K23-L38 WeakPolarHBondContact CE-O 3.43Å; K23-L38 PolarHBondContact NZ-O 2.83Å; K23-L38 VanDerWaalsContact NZ-O 3.17Å; L26-L38 HydrophobicContact CB-CD2 3.92Å; L26-L38 HydrophobicContact CD1-CD2 4.42Å; V33-L38 HydrophobicContact CB-CD2 4.43Å; V33-L38 HydrophobicContact CB-CG 4.31Å; V33-L38 HydrophobicContact CG1-CD2 3.97Å; V33-L38 HydrophobicContact CG1-CG 3.78Å; S34-L38 WeakPolarHBondContact O-CG 3.44Å; S34-L38 PolarHBondContact O-N 3.32Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.89Å
39S78Confident78.5Confident57 Ų5764.7 Ų64.740%0.39936%0.364SS..Hα-helixtrans-82.5-34.7171.796.30000112.1A35 D36 E37 V42 P43A35-S39 PolarHBondContact O-N 3.32Å; A35-S39 VanDerWaalsContact O-N 3.09Å; D36-S39 CarbonylContact O-C 3.53Å; D36-S39 VanDerWaalsContact O-CA 3.28Å; D36-S39 WeakPolarHBondContact O-CA 3.33Å; D36-S39 WeakPolarHBondContact O-CB 3.46Å; D36-S39 PolarHBondContact O-N 2.99Å; D36-S39 PolarHBondContact O-OG 3.44Å; E37-S39 PolarHBondContact O-N 3.47Å; S39-V42 CarbonylContact O-C 3.51Å; S39-P43 WeakPolarHBondContact O-CA 3.2Å
40E80.9Confident78.9Confident110 Ų11063.1 Ų63.151%0.51435%0.35SS..Hα-helixtrans-76.6-45.9176.9-171.3-175.1164.100112.5D36 E37 V42 P43D36-E40 PolarHBondContact O-N 3.48Å; E37-E40 PolarHBondContact O-N 3.35Å; E40-V42 VanDerWaalsContact C-N 3.27Å; E40-V42 PolarHBondContact O-N 2.99Å; E40-P43 VanDerWaalsContact O-CD 3.29Å; E40-P43 WeakPolarHBondContact O-CD 3.27Å; E40-P43 VanDerWaalsContact O-CG 3.27Å; E40-P43 WeakPolarHBondContact O-CG 3.4Å
41L77.5Confident79.3Confident5 Ų562.9 Ų62.93%0.02635%0.349CS..SBendtrans-70.2-23.7179.1-69.9172000113V33 E37 I71 F72 V85V33-L41 HydrophobicContact CG1-CD1 4.47Å; E37-L41 WeakPolarHBondContact O-CB 3.27Å; E37-L41 WeakPolarHBondContact O-CG 3.47Å; E37-L41 PolarHBondContact O-N 2.91Å; L41-I71 WeakPolarHBondContact O-CD1 3.09Å; L41-F72 HydrophobicContact CD1-CZ 4.48Å; L41-V85 HydrophobicContact CD1-CG1 4.43Å; L41-V85 HydrophobicContact CD2-CG1 3.88Å; L41-V85 HydrophobicContact CD2-CG2 4.42Å
42V80.6Confident80Confident2 Ų262.1 Ų62.11%0.01233%0.334CS..SBendtrans-137.674.3178.1-176.40000108.9R19 K23 L26 S39 E40 I48R19-V42 HydrophobicContact CG-CG1 3.75Å; K23-V42 HydrophobicContact CD-CG1 4.41Å; K23-V42 VanDerWaalsContact CE-CB 3.49Å; K23-V42 VanDerWaalsContact CE-CG1 3.48Å; K23-V42 WeakPolarHBondContact CE-O 3.11Å; K23-V42 HydrophobicContact CG-CB 4.31Å; K23-V42 HydrophobicContact CG-CG1 4.04Å; K23-V42 PolarHBondContact NZ-O 2.92Å; L26-V42 HydrophobicContact CD1-CG2 3.8Å; S39-V42 CarbonylContact O-C 3.51Å; E40-V42 VanDerWaalsContact C-N 3.27Å; E40-V42 PolarHBondContact O-N 2.99Å; V42-I48 HydrophobicContact CB-CD1 4.25Å; V42-I48 HydrophobicContact CG1-CD1 3.49Å; V42-I48 VanDerWaalsContact CG1-CD1 3.49Å
43P80.5Confident81Confident17 Ų1758.5 Ų58.511%0.1131%0.308CS..  trans-59.5144.1-176.9-27.238.9000112.4R19 S39 E40 E46 L66R19-P43 PolarHBondContact NH1-O 2.85Å; S39-P43 WeakPolarHBondContact O-CA 3.2Å; E40-P43 VanDerWaalsContact O-CD 3.29Å; E40-P43 WeakPolarHBondContact O-CD 3.27Å; E40-P43 VanDerWaalsContact O-CG 3.27Å; E40-P43 WeakPolarHBondContact O-CG 3.4Å; P43-E46 HydrophobicContact CB-CB 4.11Å; P43-E46 HydrophobicContact CB-CG 3.85Å; P43-E46 HydrophobicContact CG-CG 4.42Å; P43-L66 HydrophobicContact CG-CD2 4.14Å
44N74.9Confident81.7Confident127 Ų12762 Ų6268%0.67932%0.32SS*.SBendtrans-78.4-21.3180-71.3-14.1000112.8K23K23-N44 PolarHBondContact NZ-OD1 2.97Å
45K75.6Confident82.2Confident208 Ų20860.1 Ų60.190%0.90431%0.308SS*.SBendtrans-93.1-19.9-175.9-65.8179.8-179.5174.50114.6
46E81.3Confident82.5Confident69 Ų6962 Ų6232%0.32230%0.302SS..SBendtrans-99.1164.6-165.8-60.1174.4-164.100113R19 P43 I48 L66 H67R19-E46 VanDerWaalsContact CZ-O 3.23Å; R19-E46 PolarHBondContact NH1-O 2.68Å; R19-E46 PolarHBondContact NH2-O 2.81Å; P43-E46 HydrophobicContact CB-CB 4.11Å; P43-E46 HydrophobicContact CB-CG 3.85Å; P43-E46 HydrophobicContact CG-CG 4.42Å; E46-I48 PolarHBondContact O-N 3.26Å; E46-L66 HydrophobicContact CB-CD1 3.8Å; E46-L66 WeakPolarHBondContact OE2-CD1 3.4Å; E46-H67 VanDerWaalsContact CD-CE1 3.45Å; E46-H67 IonicContact OE2-CE1 2.68Å; E46-H67 PolarHBondContact OE2-CE1 2.92Å; E46-H67 IonicContact OE2-ND1 2.68Å; E46-H67 PolarHBondContact OE2-ND1 2.78Å
47E82.1Confident82.7Confident128 Ų12864.1 Ų64.160%0.59831%0.306SS*.  trans-93.3101.2-179.9-67.5-158.9166.500113N49E47-N49 PolarHBondContact O-ND2 3.2Å
48I86.1Confident82.7Confident4 Ų464.2 Ų64.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-82.4130.4170.3-61.1168.6000109.3L14 V42 E46 V65 L66L14-I48 HydrophobicContact CB-CB 4.1Å; L14-I48 HydrophobicContact CB-CG2 4.19Å; L14-I48 VanDerWaalsContact CB-O 3.23Å; L14-I48 WeakPolarHBondContact CB-O 3.32Å; L14-I48 HydrophobicContact CD2-CB 3.95Å; L14-I48 HydrophobicContact CD2-CD1 4.3Å; L14-I48 HydrophobicContact CD2-CG2 3.74Å; L14-I48 PolarHBondContact N-O 3.47Å; V42-I48 HydrophobicContact CB-CD1 4.25Å; V42-I48 HydrophobicContact CG1-CD1 3.49Å; V42-I48 VanDerWaalsContact CG1-CD1 3.49Å; E46-I48 PolarHBondContact O-N 3.26Å; I48-V65 CarbonylContact C-O 3.52Å; I48-V65 WeakPolarHBondContact CA-O 3.29Å; I48-L66 HydrophobicContact CG1-CD1 3.65Å
49N88.8Confident83Confident37 Ų3766.7 Ų66.720%0.19833%0.33CS..EExtended strand (participates in β ladder)trans-105.4132.8-179.3-82.1-88.7000110.9N11 E47 V65N11-N49 PolarHBondContact ND2-OD1 2.86Å; N11-N49 WeakPolarHBondContact OD1-CB 3.26Å; N11-N49 PolarHBondContact OD1-OD1 3.27Å; E47-N49 PolarHBondContact O-ND2 3.2Å; N49-V65 HydrophobicContact CB-CB 4.27Å; N49-V65 PolarHBondContact N-O 2.69Å; N49-V65 PolarHBondContact O-N 3.31Å
50V90.6Very high83.5Confident14 Ų1467.2 Ų67.29%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-99.8102.2177-172.80000108.4T12 L14 T62 L63 Y64T12-V50 PolarHBondContact N-O 3.3Å; T12-V50 WeakPolarHBondContact O-CA 3.42Å; T12-V50 WeakPolarHBondContact O-CB 3.45Å; T12-V50 PolarHBondContact O-N 2.88Å; T12-V50 PolarHBondContact OG1-O 2.92Å; L14-V50 HydrophobicContact CB-CG2 3.83Å; L14-V50 HydrophobicContact CD1-CG2 3.53Å; L14-V50 HydrophobicContact CG-CG2 4.25Å; V50-T62 HydrophobicContact CG1-CG2 3.31Å; V50-L63 CarbonylContact C-O 3.54Å; V50-L63 WeakPolarHBondContact CA-O 3.05Å; V50-Y64 HydrophobicContact CG2-CD1 4.27Å; V50-Y64 HydrophobicContact CG2-CE1 4.22Å
51V90.7Very high84Confident5 Ų562.1 Ų62.13%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-101.3107.1-178-170.20000109.1V8 N11 I53 L63 V65V8-V51 HydrophobicContact CB-CG1 4.48Å; V8-V51 HydrophobicContact CG1-CG1 3.66Å; V8-V51 HydrophobicContact CG2-CG1 4.07Å; N11-V51 HydrophobicContact CB-CG2 4.34Å; V51-I53 HydrophobicContact CG1-CG2 3.91Å; V51-L63 HydrophobicContact CB-CB 4.22Å; V51-L63 PolarHBondContact N-O 2.88Å; V51-L63 PolarHBondContact O-N 3.49Å; V51-V65 HydrophobicContact CB-CG2 4.41Å; V51-V65 HydrophobicContact CG2-CB 4.37Å; V51-V65 HydrophobicContact CG2-CG2 3.73Å
52K90.1Very high84.7Confident100 Ų10062.9 Ų62.944%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-85.2122.1175.4-64.3-176.6178-178.60109.2K9 S10 T62K9-K52 WeakPolarHBondContact CB-O 3.37Å; K9-K52 PolarHBondContact N-O 3.35Å; S10-K52 PolarHBondContact N-O 2.92Å; S10-K52 PolarHBondContact O-N 3.32Å; K52-T62 HydrophobicContact CG-CG2 4.36Å
53I91.9Very high85.2Confident3 Ų362.8 Ų62.82%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-119.7157.5-17868.6167.9000110.9F2 F6 R7 V8 V51 V61 L63F2-I53 HydrophobicContact CD1-CD1 4.29Å; F2-I53 HydrophobicContact CE1-CD1 3.84Å; F6-I53 HydrophobicContact CB-CD1 4.16Å; F6-I53 HydrophobicContact CD1-CD1 4Å; F6-I53 HydrophobicContact CD2-CB 3.9Å; F6-I53 HydrophobicContact CD2-CD1 3.62Å; F6-I53 HydrophobicContact CD2-CG1 4.34Å; F6-I53 HydrophobicContact CD2-CG2 3.86Å; F6-I53 HydrophobicContact CE1-CD1 4.24Å; F6-I53 HydrophobicContact CE2-CB 4.43Å; F6-I53 HydrophobicContact CE2-CD1 3.91Å; F6-I53 HydrophobicContact CE2-CG2 3.93Å; F6-I53 HydrophobicContact CG-CD1 3.67Å; F6-I53 HydrophobicContact CZ-CD1 4.21Å; R7-I53 CarbonylContact O-C 3.58Å; R7-I53 WeakPolarHBondContact O-CA 3.5Å; V8-I53 HydrophobicContact CG2-CG2 4.09Å; V51-I53 HydrophobicContact CG1-CG2 3.91Å; I53-V61 HydrophobicContact CD1-CB 4.17Å; I53-V61 HydrophobicContact CD1-CG1 4.45Å; I53-V61 HydrophobicContact CG1-CB 3.75Å; I53-V61 HydrophobicContact CG1-CG1 4.38Å; I53-V61 PolarHBondContact N-O 3.16Å; I53-V61 PolarHBondContact O-N 2.96Å; I53-L63 HydrophobicContact CD1-CD1 4.03Å; I53-L63 HydrophobicContact CD1-CD2 4.07Å; I53-L63 HydrophobicContact CD1-CG 4.07Å; I53-L63 HydrophobicContact CG1-CG 4.32Å; I53-L63 HydrophobicContact CG2-CD1 4.01Å; I53-L63 HydrophobicContact CG2-CG 4.31Å
54Y88.4Confident85.7Confident94 Ų9463.4 Ų63.437%0.36932%0.319SS..EExtended strand (participates in β ladder)trans-111.1120.9163.5-74.4-67.8000109.4F6 R7 K9 G58 E59 A60F6-Y54 WeakPolarHBondContact CA-O 3.25Å; F6-Y54 VanDerWaalsContact CB-O 3.32Å; F6-Y54 WeakPolarHBondContact CB-O 3.38Å; R7-Y54 PolarHBondContact N-O 2.96Å; R7-Y54 PolarHBondContact O-N 3.35Å; K9-Y54 HydrophobicContact CB-CD2 4.21Å; K9-Y54 HydrophobicContact CB-CE2 4.18Å; K9-Y54 HydrophobicContact CD-CD2 4.37Å; K9-Y54 HydrophobicContact CD-CE2 3.52Å; K9-Y54 HydrophobicContact CG-CD2 4.42Å; K9-Y54 HydrophobicContact CG-CE2 3.94Å; K9-Y54 PolarHBondContact NZ-OH 3.31Å; Y54-G58 WeakPolarHBondContact CD1-O 3.34Å; Y54-E59 WeakPolarHBondContact CA-O 3.44Å; Y54-A60 HydrophobicContact CD1-CB 4.12Å; Y54-A60 HydrophobicContact CE1-CB 3.8Å
55A85.1Confident86.4Confident10 Ų1057.8 Ų57.88%0.08329%0.289CS..  trans-66.3163.6169.300000110.5K57 G58 E59A55-K57 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 3.31Å; A55-E59 HydrophobicContact CB-CB 4.29Å; A55-E59 PolarHBondContact N-O 3.5Å
56H79.9Confident86.9Confident120 Ų12048.7 Ų48.756%0.55625%0.25SS*.THydrogen-bonded Turntrans-55.7-24.5-179.5-178.8-55000113.6K4 G58K4-H56 HydrophobicContact CB-CB 3.97Å; K4-H56 HydrophobicContact CD-CB 4.24Å; K4-H56 WeakPolarHBondContact CD-CD2 3.22Å; K4-H56 PolarHBondContact NZ-NE2 3.47Å; H56-G58 VanDerWaalsContact C-N 3.31Å
57K77.9Confident86.7Confident169 Ų16951.3 Ų51.374%0.73526%0.262SS*.THydrogen-bonded Turntrans-80.8-4176.1-70.2179.9175.2-178.50114.5A55 E59A55-K57 PolarHBondContact O-N 2.88Å; K57-E59 VanDerWaalsContact C-N 3.3Å; K57-E59 HydrophobicContact CB-CG 4.12Å; K57-E59 WeakPolarHBondContact CD-OE1 3.42Å; K57-E59 IonicContact NZ-OE1 3.5Å
58G78.1Confident86.5Confident49 Ų4953.1 Ų53.151%0.50527%0.268SS..SBendtrans86.1-3.9-172.400000114.3Y54 A55 H56 A60Y54-G58 WeakPolarHBondContact CD1-O 3.34Å; A55-G58 PolarHBondContact O-N 3.31Å; H56-G58 VanDerWaalsContact C-N 3.31Å; G58-A60 PolarHBondContact O-N 2.67Å
59E85.3Confident86.4Confident73 Ų7353.9 Ų53.934%0.34127%0.272SS..  trans-58.4129.3172.6-66153-17000110.2M1 Y54 A55 K57M1-E59 HydrophobicContact CE-CB 3.91Å; M1-E59 HydrophobicContact CE-CG 4.46Å; M1-E59 VanDerWaalsContact CE-OE2 3.23Å; M1-E59 WeakPolarHBondContact CE-OE2 3.31Å; Y54-E59 WeakPolarHBondContact CA-O 3.44Å; A55-E59 HydrophobicContact CB-CB 4.29Å; A55-E59 PolarHBondContact N-O 3.5Å; K57-E59 VanDerWaalsContact C-N 3.3Å; K57-E59 HydrophobicContact CB-CG 4.12Å; K57-E59 WeakPolarHBondContact CD-OE1 3.42Å; K57-E59 IonicContact NZ-OE1 3.5Å
60A87.7Confident86.4Confident68 Ų6852.1 Ų52.156%0.56226%0.263SS*.EExtended strand (participates in β ladder)trans-88.3130.7176.600000110.1Y54 G58Y54-A60 HydrophobicContact CD1-CB 4.12Å; Y54-A60 HydrophobicContact CE1-CB 3.8Å; G58-A60 PolarHBondContact O-N 2.67Å
61V91.8Very high86.4Confident3 Ų352.2 Ų52.22%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-129.9138.2179.2-178.90000108.9M1 F2 I53 L63 F73 E74 V75M1-V61 HydrophobicContact CE-CG2 3.5Å; M1-V61 HydrophobicContact SD-CG2 3.89Å; F2-V61 HydrophobicContact CE1-CG1 4.34Å; F2-V61 HydrophobicContact CE1-CG2 4.3Å; F2-V61 HydrophobicContact CZ-CG1 4.13Å; I53-V61 HydrophobicContact CD1-CB 4.17Å; I53-V61 HydrophobicContact CD1-CG1 4.45Å; I53-V61 HydrophobicContact CG1-CB 3.75Å; I53-V61 HydrophobicContact CG1-CG1 4.38Å; I53-V61 PolarHBondContact N-O 3.16Å; I53-V61 PolarHBondContact O-N 2.96Å; V61-L63 HydrophobicContact CG1-CD2 3.98Å; V61-F73 HydrophobicContact CG1-CB 4.08Å; V61-F73 HydrophobicContact CG1-CD2 4.38Å; V61-E74 WeakPolarHBondContact CA-O 3.44Å; V61-E74 WeakPolarHBondContact CG1-O 3.47Å; V61-V75 HydrophobicContact CG1-CG2 4.2Å; V61-V75 HydrophobicContact CG2-CG2 4.21Å
62T91.6Very high86.4Confident20 Ų2052.2 Ų52.212%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-97.7120.1170.3-45.90000108.7V50 K52 Y64 F73 E74V50-T62 HydrophobicContact CG1-CG2 3.31Å; K52-T62 HydrophobicContact CG-CG2 4.36Å; T62-Y64 HydrophobicContact CG2-CE2 4.25Å; T62-F73 CarbonylContact O-C 3.51Å; T62-F73 WeakPolarHBondContact O-CA 3.42Å; T62-E74 VanDerWaalsContact CB-OE2 3.26Å; T62-E74 WeakPolarHBondContact CB-OE2 3.41Å; T62-E74 PolarHBondContact N-O 2.96Å; T62-E74 PolarHBondContact O-N 2.84Å; T62-E74 PolarHBondContact OG1-OE2 3.15Å
63L91.7Very high86.6Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-96141.2169.1-50.5-179.9000110F6 V50 V51 I53 V61 V65 F73 L176F6-L63 HydrophobicContact CZ-CD1 4.46Å; V50-L63 CarbonylContact C-O 3.54Å; V50-L63 WeakPolarHBondContact CA-O 3.05Å; V51-L63 HydrophobicContact CB-CB 4.22Å; V51-L63 PolarHBondContact N-O 2.88Å; V51-L63 PolarHBondContact O-N 3.49Å; I53-L63 HydrophobicContact CD1-CD1 4.03Å; I53-L63 HydrophobicContact CD1-CD2 4.07Å; I53-L63 HydrophobicContact CD1-CG 4.07Å; I53-L63 HydrophobicContact CG1-CG 4.32Å; I53-L63 HydrophobicContact CG2-CD1 4.01Å; I53-L63 HydrophobicContact CG2-CG 4.31Å; V61-L63 HydrophobicContact CG1-CD2 3.98Å; L63-V65 HydrophobicContact CB-CG2 4.09Å; L63-F73 HydrophobicContact CD2-CB 3.56Å; L63-L176 HydrophobicContact CD1-CD1 3.61Å; L63-L176 HydrophobicContact CD2-CD1 3.76Å; L63-L176 HydrophobicContact CD2-CD2 4.26Å; L63-L176 HydrophobicContact CG-CD1 4.32Å
64Y90.6Very high86.5Confident30 Ų3049.8 Ų49.812%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-106.7118.8168.2-62.3-87.3000108.6L14 L22 V50 T62 I71 F72 E74 L79L14-Y64 HydrophobicContact CD1-CE1 4.22Å; L22-Y64 HydrophobicContact CD1-CD1 4.34Å; L22-Y64 HydrophobicContact CD1-CD2 4.37Å; L22-Y64 HydrophobicContact CD1-CE1 4.02Å; L22-Y64 HydrophobicContact CD1-CE2 4.06Å; L22-Y64 HydrophobicContact CD1-CG 4.5Å; L22-Y64 HydrophobicContact CD2-CD1 3.61Å; L22-Y64 HydrophobicContact CD2-CE1 3.83Å; L22-Y64 HydrophobicContact CD2-CG 4.1Å; L22-Y64 HydrophobicContact CG-CE1 4.45Å; V50-Y64 HydrophobicContact CG2-CD1 4.27Å; V50-Y64 HydrophobicContact CG2-CE1 4.22Å; T62-Y64 HydrophobicContact CG2-CE2 4.25Å; Y64-I71 PolarHBondContact O-N 3.12Å; Y64-F72 HydrophobicContact CD2-CB 4.08Å; Y64-F72 PolarHBondContact N-O 2.8Å; Y64-E74 HydrophobicContact CE2-CB 4.34Å; Y64-L79 HydrophobicContact CD2-CD2 4.33Å; Y64-L79 HydrophobicContact CE2-CD2 3.73Å
65V88.6Confident86.5Confident10 Ų1046.2 Ų46.26%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-123.9127.4-167.9-177.90000109.7I48 N49 V51 L63 K68 N69 P70 F179I48-V65 CarbonylContact C-O 3.52Å; I48-V65 WeakPolarHBondContact CA-O 3.29Å; N49-V65 HydrophobicContact CB-CB 4.27Å; N49-V65 PolarHBondContact N-O 2.69Å; N49-V65 PolarHBondContact O-N 3.31Å; V51-V65 HydrophobicContact CB-CG2 4.41Å; V51-V65 HydrophobicContact CG2-CB 4.37Å; V51-V65 HydrophobicContact CG2-CG2 3.73Å; L63-V65 HydrophobicContact CB-CG2 4.09Å; V65-K68 VanDerWaalsContact CG1-C 3.47Å; V65-K68 WeakPolarHBondContact CG1-O 3.46Å; V65-N69 CarbonylContact C-O 3.58Å; V65-N69 VanDerWaalsContact CA-O 3.29Å; V65-N69 WeakPolarHBondContact CA-O 3.44Å; V65-N69 WeakPolarHBondContact CG1-O 3.46Å; V65-P70 HydrophobicContact CG2-CB 4.39Å; V65-F179 HydrophobicContact CG1-CE1 4.42Å; V65-F179 HydrophobicContact CG2-CE1 4.04Å
66L85.8Confident86.5Confident16 Ų1653.9 Ų53.98%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-121.7129.1176.4-177.174000108.1P43 E46 I48 K68 N69 I71P43-L66 HydrophobicContact CG-CD2 4.14Å; E46-L66 HydrophobicContact CB-CD1 3.8Å; E46-L66 WeakPolarHBondContact OE2-CD1 3.4Å; I48-L66 HydrophobicContact CG1-CD1 3.65Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 3.11Å; L66-N69 PolarHBondContact N-O 3.03Å; L66-N69 PolarHBondContact O-N 3.25Å; L66-I71 HydrophobicContact CB-CD1 3.45Å; L66-I71 VanDerWaalsContact CB-CD1 3.45Å; L66-I71 HydrophobicContact CB-CG1 4.1Å; L66-I71 HydrophobicContact CD2-CD1 3.7Å; L66-I71 HydrophobicContact CG-CD1 4.22Å
67H78.6Confident86.6Confident124 Ų12457.2 Ų57.257%0.57429%0.287SS*.THydrogen-bonded Turntrans44.654.3179.5-63.4131.2000113E46 N69E46-H67 VanDerWaalsContact CD-CE1 3.45Å; E46-H67 IonicContact OE2-CE1 2.68Å; E46-H67 PolarHBondContact OE2-CE1 2.92Å; E46-H67 IonicContact OE2-ND1 2.68Å; E46-H67 PolarHBondContact OE2-ND1 2.78Å; H67-N69 PolarHBondContact O-N 2.88Å
68K76.9Confident87Confident167 Ų16755.1 Ų55.173%0.72628%0.275SS*.THydrogen-bonded Turntrans66.4-23.2-173.6-51.2171.8-171.7166.30116.3V65 L66V65-K68 VanDerWaalsContact CG1-C 3.47Å; V65-K68 WeakPolarHBondContact CG1-O 3.46Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 3.11Å
69N84Confident87.6Confident19 Ų1953.5 Ų53.510%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-78.4130.6179.9-74.1-66.3000113.4V65 L66 H67 I71 D181V65-N69 CarbonylContact C-O 3.58Å; V65-N69 VanDerWaalsContact CA-O 3.29Å; V65-N69 WeakPolarHBondContact CA-O 3.44Å; V65-N69 WeakPolarHBondContact CG1-O 3.46Å; L66-N69 PolarHBondContact N-O 3.03Å; L66-N69 PolarHBondContact O-N 3.25Å; H67-N69 PolarHBondContact O-N 2.88Å; N69-I71 PolarHBondContact O-N 3.33Å; N69-D181 PolarHBondContact ND2-OD2 3.08Å; N69-D181 VanDerWaalsContact OD1-CG 3.29Å; N69-D181 PolarHBondContact OD1-N 3.21Å; N69-D181 VanDerWaalsContact OD1-N 3.16Å; N69-D181 PolarHBondContact OD1-OD2 3.43Å
70P89.1Confident87.9Confident1 Ų150.4 Ų50.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-75.9123.4171.331.5-32.2000110.3V65 T82 Y84 L176 F179V65-P70 HydrophobicContact CG2-CB 4.39Å; P70-T82 HydrophobicContact CB-CG2 4.02Å; P70-T82 HydrophobicContact CG-CG2 4.24Å; P70-T82 WeakPolarHBondContact O-CB 3.23Å; P70-T82 WeakPolarHBondContact O-CG2 3.29Å; P70-T82 PolarHBondContact O-OG1 2.73Å; P70-Y84 HydrophobicContact CG-CD2 4.26Å; P70-Y84 HydrophobicContact CG-CE2 4.34Å; P70-L176 HydrophobicContact CB-CD1 3.84Å; P70-L176 HydrophobicContact CG-CD1 3.9Å; P70-L176 HydrophobicContact CG-CG 4.37Å; P70-F179 HydrophobicContact CG-CD1 4.39Å
71I90.2Very high88.1Confident16 Ų1647.1 Ų47.18%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-94.9-56.6-179.7-61.1-170.7000110.5L41 Y64 L66 N69 T82 V85L41-I71 WeakPolarHBondContact O-CD1 3.09Å; Y64-I71 PolarHBondContact O-N 3.12Å; L66-I71 HydrophobicContact CB-CD1 3.45Å; L66-I71 VanDerWaalsContact CB-CD1 3.45Å; L66-I71 HydrophobicContact CB-CG1 4.1Å; L66-I71 HydrophobicContact CD2-CD1 3.7Å; L66-I71 HydrophobicContact CG-CD1 4.22Å; N69-I71 PolarHBondContact O-N 3.33Å; I71-T82 PolarHBondContact O-N 2.94Å; I71-T82 PolarHBondContact O-OG1 3.09Å; I71-V85 HydrophobicContact CB-CG2 4.05Å; I71-V85 HydrophobicContact CG2-CG2 3.39Å; I71-V85 WeakPolarHBondContact O-CG2 3.45Å
72F91.6Very high88.1Confident4 Ų447 Ų472%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-126.5151.6-179.5-65.8-74.5000111.1L26 F30 L41 Y64 Y80 P81L26-F72 HydrophobicContact CD1-CD2 3.97Å; L26-F72 HydrophobicContact CD1-CE2 3.49Å; L26-F72 VanDerWaalsContact CD1-CE2 3.49Å; L26-F72 HydrophobicContact CD1-CZ 3.99Å; L26-F72 HydrophobicContact CD2-CD1 3.79Å; L26-F72 HydrophobicContact CD2-CD2 3.9Å; L26-F72 HydrophobicContact CD2-CE1 3.51Å; L26-F72 HydrophobicContact CD2-CE2 3.64Å; L26-F72 HydrophobicContact CD2-CG 4Å; L26-F72 HydrophobicContact CD2-CZ 3.45Å; L26-F72 VanDerWaalsContact CD2-CZ 3.45Å; L26-F72 HydrophobicContact CG-CE2 4.23Å; L26-F72 HydrophobicContact CG-CZ 4.37Å; F30-F72 HydrophobicContact CE2-CE1 4.09Å; L41-F72 HydrophobicContact CD1-CZ 4.48Å; Y64-F72 HydrophobicContact CD2-CB 4.08Å; Y64-F72 PolarHBondContact N-O 2.8Å; F72-Y80 CarbonylContact C-O 3.53Å; F72-Y80 WeakPolarHBondContact CA-O 3.46Å; F72-P81 HydrophobicContact CD1-CB 4.13Å; F72-P81 HydrophobicContact CE1-CB 3.93Å
73F92.9Very high88Confident0 Ų046 Ų460%021%0.206CC..EExtended strand (participates in β ladder)trans-127.5136168.966.3-82.9000111.6F2 V61 T62 L63 V75 Y80 P81 T82 L169 H170 L176F2-F73 AromaticContact CE2-CD2 3.88Å; F2-F73 HydrophobicContact CE2-CD2 3.88Å; F2-F73 AromaticContact CE2-CE2 3.79Å; F2-F73 HydrophobicContact CE2-CE2 3.79Å; F2-F73 HydrophobicContact CE2-CG 4.31Å; F2-F73 HydrophobicContact CE2-CZ 4.13Å; F2-F73 AromaticContact CZ-CD2 3.8Å; F2-F73 HydrophobicContact CZ-CD2 3.8Å; F2-F73 HydrophobicContact CZ-CE2 4.09Å; F2-F73 HydrophobicContact CZ-CG 4.32Å; V61-F73 HydrophobicContact CG1-CB 4.08Å; V61-F73 HydrophobicContact CG1-CD2 4.38Å; T62-F73 CarbonylContact O-C 3.51Å; T62-F73 WeakPolarHBondContact O-CA 3.42Å; L63-F73 HydrophobicContact CD2-CB 3.56Å; F73-V75 HydrophobicContact CD2-CG2 3.74Å; F73-V75 HydrophobicContact CE2-CG2 4.01Å; F73-Y80 WeakPolarHBondContact CD1-O 3.43Å; F73-Y80 HydrophobicContact CD2-CD2 4.42Å; F73-Y80 HydrophobicContact CE2-CD2 4.08Å; F73-Y80 AromaticContact CE2-CG 4Å; F73-Y80 HydrophobicContact CE2-CG 4Å; F73-Y80 HydrophobicContact CZ-CG 4.01Å; F73-Y80 PolarHBondContact N-O 3.43Å; F73-Y80 PolarHBondContact O-N 3.47Å; F73-P81 WeakPolarHBondContact CE1-O 3.27Å; F73-T82 HydrophobicContact CD1-CG2 4.19Å; F73-L169 HydrophobicContact CE2-CB 4.05Å; F73-L169 HydrophobicContact CE2-CD1 4.44Å; F73-L169 HydrophobicContact CZ-CB 3.95Å; F73-H170 HydrophobicContact CE1-CB 3.83Å; F73-H170 HydrophobicContact CZ-CB 3.76Å; F73-L176 HydrophobicContact CB-CD2 4.45Å; F73-L176 HydrophobicContact CD1-CD2 3.92Å; F73-L176 HydrophobicContact CE1-CD2 4.38Å; F73-L176 HydrophobicContact CG-CD2 4.22Å
74E91.1Very high87.9Confident52 Ų5246.8 Ų46.824%0.24321%0.209CC..EExtended strand (participates in β ladder)trans-100122.6-179.9-169.1-158.8176.700110.1V61 T62 Y64 R78 L79V61-E74 WeakPolarHBondContact CA-O 3.44Å; V61-E74 WeakPolarHBondContact CG1-O 3.47Å; T62-E74 VanDerWaalsContact CB-OE2 3.26Å; T62-E74 WeakPolarHBondContact CB-OE2 3.41Å; T62-E74 PolarHBondContact N-O 2.96Å; T62-E74 PolarHBondContact O-N 2.84Å; T62-E74 PolarHBondContact OG1-OE2 3.15Å; Y64-E74 HydrophobicContact CE2-CB 4.34Å; E74-R78 VanDerWaalsContact CA-O 3.32Å; E74-R78 WeakPolarHBondContact CA-O 3.4Å; E74-L79 HydrophobicContact CB-CD2 4.05Å; E74-L79 HydrophobicContact CG-CD2 4.3Å
75V89.1Confident87.8Confident19 Ų1945.5 Ų45.512%0.11521%0.205CC..EExtended strand (participates in β ladder)trans-128.3127.1172.9-173.40000107.9M1 V61 F73 K77 R78 Y80M1-V75 HydrophobicContact CE-CG1 3.93Å; M1-V75 HydrophobicContact CE-CG2 4.13Å; M1-V75 HydrophobicContact SD-CG2 3.89Å; V61-V75 HydrophobicContact CG1-CG2 4.2Å; V61-V75 HydrophobicContact CG2-CG2 4.21Å; F73-V75 HydrophobicContact CD2-CG2 3.74Å; F73-V75 HydrophobicContact CE2-CG2 4.01Å; V75-K77 PolarHBondContact O-N 3.37Å; V75-K77 VanDerWaalsContact O-N 3.12Å; V75-R78 PolarHBondContact N-O 3.42Å; V75-R78 PolarHBondContact O-N 3.21Å; V75-Y80 HydrophobicContact CB-CD2 4.44Å; V75-Y80 HydrophobicContact CB-CE2 4.17Å; V75-Y80 HydrophobicContact CG2-CD2 4.42Å
76E83.6Confident87.7Confident171 Ų17145 Ų4580%0.79920%0.202SC*.THydrogen-bonded Turntrans52.535.4177.8-62.5178.5162.200114.4R78E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.17Å
77K82.8Confident87.8Confident190 Ų19045.9 Ų45.983%0.82620%0.204SC*.THydrogen-bonded Turntrans66.417.8-173.4-48.8176.6-178.3174.60115.7V75V75-K77 PolarHBondContact O-N 3.37Å; V75-K77 VanDerWaalsContact O-N 3.12Å
78R86.1Confident88.1Confident126 Ų12646.5 Ų46.548%0.47520%0.201SC..EExtended strand (participates in β ladder)trans-108.7135.2170-65.5-174.8175.3-147.9-3.3110.1E74 V75 E76 Y80 G130E74-R78 VanDerWaalsContact CA-O 3.32Å; E74-R78 WeakPolarHBondContact CA-O 3.4Å; V75-R78 PolarHBondContact N-O 3.42Å; V75-R78 PolarHBondContact O-N 3.21Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.17Å; R78-Y80 HydrophobicContact CB-CE2 3.75Å; R78-Y80 WeakPolarHBondContact O-CD2 3.48Å; R78-G130 PolarHBondContact NH1-O 3Å
79L89.8Confident88.3Confident15 Ų1539.4 Ų39.48%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-89138.5176.5-66.3171000110.3L22 D25 L26 Y64 E74L22-L79 HydrophobicContact CD1-CD1 3.87Å; L22-L79 HydrophobicContact CD1-CD2 4.25Å; D25-L79 HydrophobicContact CB-CD1 3.8Å; L26-L79 HydrophobicContact CD2-CB 4.47Å; L26-L79 HydrophobicContact CD2-CD1 3.77Å; L26-L79 HydrophobicContact CG-CD1 4.02Å; Y64-L79 HydrophobicContact CD2-CD2 4.33Å; Y64-L79 HydrophobicContact CE2-CD2 3.73Å; E74-L79 HydrophobicContact CB-CD2 4.05Å; E74-L79 HydrophobicContact CG-CD2 4.3Å
80Y91.6Very high88.1Confident7 Ų741.2 Ų41.23%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-130.1132.5176.5-65.6-87.4000109.2F72 F73 V75 R78 C132 L169F72-Y80 CarbonylContact C-O 3.53Å; F72-Y80 WeakPolarHBondContact CA-O 3.46Å; F73-Y80 WeakPolarHBondContact CD1-O 3.43Å; F73-Y80 HydrophobicContact CD2-CD2 4.42Å; F73-Y80 HydrophobicContact CE2-CD2 4.08Å; F73-Y80 AromaticContact CE2-CG 4Å; F73-Y80 HydrophobicContact CE2-CG 4Å; F73-Y80 HydrophobicContact CZ-CG 4.01Å; F73-Y80 PolarHBondContact N-O 3.43Å; F73-Y80 PolarHBondContact O-N 3.47Å; V75-Y80 HydrophobicContact CB-CD2 4.44Å; V75-Y80 HydrophobicContact CB-CE2 4.17Å; V75-Y80 HydrophobicContact CG2-CD2 4.42Å; R78-Y80 HydrophobicContact CB-CE2 3.75Å; R78-Y80 WeakPolarHBondContact O-CD2 3.48Å; Y80-C132 HydrophobicContact CD1-CB 4.28Å; Y80-C132 HydrophobicContact CE1-CB 4.22Å; Y80-C132 WeakPolarHBondContact CE1-SG 3.26Å; Y80-L169 HydrophobicContact CD1-CD1 3.69Å; Y80-L169 HydrophobicContact CD2-CD1 4.13Å; Y80-L169 HydrophobicContact CE1-CD1 3.42Å; Y80-L169 VanDerWaalsContact CE1-CD1 3.42Å; Y80-L169 HydrophobicContact CE2-CD1 3.89Å; Y80-L169 HydrophobicContact CG-CD1 4.05Å
81P91.8Very high87.6Confident0 Ų045.6 Ų45.60%021%0.214CC..EExtended strand (participates in β ladder)trans-71153.2172.430.3-34.3000111.1F72 F73 V85 L86 L92 L93 V146F72-P81 HydrophobicContact CD1-CB 4.13Å; F72-P81 HydrophobicContact CE1-CB 3.93Å; F73-P81 WeakPolarHBondContact CE1-O 3.27Å; P81-V85 HydrophobicContact CB-CB 4.06Å; P81-V85 HydrophobicContact CB-CG1 4.05Å; P81-L86 HydrophobicContact CB-CD2 4.3Å; P81-L86 HydrophobicContact CB-CG 4.24Å; P81-L86 HydrophobicContact CG-CD1 4.28Å; P81-L86 HydrophobicContact CG-CD2 3.89Å; P81-L86 HydrophobicContact CG-CG 4.08Å; P81-L92 HydrophobicContact CB-CD2 3.72Å; P81-L92 HydrophobicContact CG-CD2 3.85Å; P81-L93 HydrophobicContact CG-CD1 3.69Å; P81-L93 HydrophobicContact CG-CG 4.18Å; P81-V146 HydrophobicContact CG-CG1 4.45Å
82T92.3Very high87.3Confident0 Ų045.3 Ų45.30%021%0.213CC..  trans-81166.3166.761.40000111.6P70 I71 F73 Y84 V85 L86 L176P70-T82 HydrophobicContact CB-CG2 4.02Å; P70-T82 HydrophobicContact CG-CG2 4.24Å; P70-T82 WeakPolarHBondContact O-CB 3.23Å; P70-T82 WeakPolarHBondContact O-CG2 3.29Å; P70-T82 PolarHBondContact O-OG1 2.73Å; I71-T82 PolarHBondContact O-N 2.94Å; I71-T82 PolarHBondContact O-OG1 3.09Å; F73-T82 HydrophobicContact CD1-CG2 4.19Å; T82-Y84 PolarHBondContact O-N 2.7Å; T82-V85 PolarHBondContact O-N 2.93Å; T82-V85 VanDerWaalsContact O-N 3.13Å; T82-L86 PolarHBondContact O-N 3.01Å; T82-L176 HydrophobicContact CG2-CD2 4.11Å; T82-L176 HydrophobicContact CG2-CG 4.47Å
83V90.6Very high87Confident0 Ų045.7 Ų45.70%022%0.215CC..Hα-helixtrans-57.6-33.6172.6-61.60000111.7V85 L86 W87 V146 H170V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.14Å; V83-L86 CarbonylContact O-C 3.6Å; V83-L86 PolarHBondContact O-N 2.97Å; V83-L86 VanDerWaalsContact O-N 3.17Å; V83-W87 HydrophobicContact CB-CZ2 3.96Å; V83-W87 HydrophobicContact CG2-CH2 4.08Å; V83-W87 HydrophobicContact CG2-CZ2 3.69Å; V83-W87 PolarHBondContact O-N 3.43Å; V83-V146 HydrophobicContact CG1-CG2 4.07Å; V83-H170 PolarHBondContact N-CD2 3.49Å; V83-H170 PolarHBondContact N-NE2 2.86Å; V83-H170 VanDerWaalsContact N-NE2 3.14Å
84Y88.9Confident86.7Confident15 Ų1548 Ų486%0.05923%0.23CC..Hα-helixtrans-61.7-30.3177.1-64.3-60.4000114.4P70 T82 W87 W177 K182P70-Y84 HydrophobicContact CG-CD2 4.26Å; P70-Y84 HydrophobicContact CG-CE2 4.34Å; T82-Y84 PolarHBondContact O-N 2.7Å; Y84-W87 AromaticContact CD1-CE3 3.86Å; Y84-W87 HydrophobicContact CD1-CE3 3.86Å; Y84-W87 HydrophobicContact CD1-CH2 4.44Å; Y84-W87 AromaticContact CD1-CZ3 3.63Å; Y84-W87 HydrophobicContact CD1-CZ3 3.63Å; Y84-W87 HydrophobicContact CE1-CE3 4.38Å; Y84-W87 HydrophobicContact CE1-CH2 4.32Å; Y84-W87 AromaticContact CE1-CZ3 3.7Å; Y84-W87 HydrophobicContact CE1-CZ3 3.7Å; Y84-W177 AromaticContact CE1-CD1 3.8Å; Y84-W177 AromaticContact CE1-NE1 3.81Å; Y84-W177 AromaticContact CZ-CD1 3.42Å; Y84-W177 VanDerWaalsContact CZ-CD1 3.42Å; Y84-W177 AromaticContact CZ-NE1 3.72Å; Y84-W177 PolarHBondContact OH-NE1 2.63Å; Y84-W177 PolarHBondContact OH-O 3Å; Y84-K182 WeakPolarHBondContact OH-CA 3.5Å; Y84-K182 PolarHBondContact OH-N 3.22Å
85V88.1Confident86.6Confident4 Ų448.3 Ų48.32%0.02424%0.235CC..Hα-helixtrans-77.1-44174173.70000110.4L41 I71 P81 T82 V83 W87 R88 H89 L92L41-V85 HydrophobicContact CD1-CG1 4.43Å; L41-V85 HydrophobicContact CD2-CG1 3.88Å; L41-V85 HydrophobicContact CD2-CG2 4.42Å; I71-V85 HydrophobicContact CB-CG2 4.05Å; I71-V85 HydrophobicContact CG2-CG2 3.39Å; I71-V85 WeakPolarHBondContact O-CG2 3.45Å; P81-V85 HydrophobicContact CB-CB 4.06Å; P81-V85 HydrophobicContact CB-CG1 4.05Å; T82-V85 PolarHBondContact O-N 2.93Å; T82-V85 VanDerWaalsContact O-N 3.13Å; V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.14Å; V85-W87 PolarHBondContact O-N 3.4Å; V85-R88 WeakPolarHBondContact O-CB 3.38Å; V85-R88 PolarHBondContact O-N 2.9Å; V85-H89 PolarHBondContact O-N 3.42Å; V85-L92 HydrophobicContact CG1-CD2 3.73Å
86L87.6Confident86.6Confident0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-68.2-18.7179.9-63.7175.5000113.5P81 T82 V83 R88 P90 L92 L93 A134 P143 V146P81-L86 HydrophobicContact CB-CD2 4.3Å; P81-L86 HydrophobicContact CB-CG 4.24Å; P81-L86 HydrophobicContact CG-CD1 4.28Å; P81-L86 HydrophobicContact CG-CD2 3.89Å; P81-L86 HydrophobicContact CG-CG 4.08Å; T82-L86 PolarHBondContact O-N 3.01Å; V83-L86 CarbonylContact O-C 3.6Å; V83-L86 PolarHBondContact O-N 2.97Å; V83-L86 VanDerWaalsContact O-N 3.17Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-P90 VanDerWaalsContact O-CA 3.22Å; L86-P90 WeakPolarHBondContact O-CA 3.36Å; L86-L92 HydrophobicContact CD2-CB 3.85Å; L86-L92 HydrophobicContact CD2-CD2 3.94Å; L86-L92 HydrophobicContact CD2-CG 4.23Å; L86-L93 HydrophobicContact CD1-CD1 4.08Å; L86-L93 HydrophobicContact CD2-CB 4.46Å; L86-L93 HydrophobicContact CD2-CD1 4.02Å; L86-L93 HydrophobicContact CD2-CG 4.06Å; L86-A134 HydrophobicContact CD1-CB 4.21Å; L86-P143 HydrophobicContact CB-CB 4Å; L86-P143 HydrophobicContact CB-CG 3.89Å; L86-P143 HydrophobicContact CD1-CB 4.09Å; L86-V146 HydrophobicContact CD1-CB 4.5Å; L86-V146 HydrophobicContact CD1-CG1 4.4Å; L86-V146 HydrophobicContact CD1-CG2 3.43Å; L86-V146 VanDerWaalsContact CD1-CG2 3.43Å
87W88Confident86.8Confident34 Ų3441.6 Ų41.613%0.12920%0.2CC..THydrogen-bonded Turntrans-77.5-13.4169.6-61.4-12.9000113.5V83 Y84 V85 P143 Y172 W177 S183 N184 P185 P186V83-W87 HydrophobicContact CB-CZ2 3.96Å; V83-W87 HydrophobicContact CG2-CH2 4.08Å; V83-W87 HydrophobicContact CG2-CZ2 3.69Å; V83-W87 PolarHBondContact O-N 3.43Å; Y84-W87 AromaticContact CD1-CE3 3.86Å; Y84-W87 HydrophobicContact CD1-CE3 3.86Å; Y84-W87 HydrophobicContact CD1-CH2 4.44Å; Y84-W87 AromaticContact CD1-CZ3 3.63Å; Y84-W87 HydrophobicContact CD1-CZ3 3.63Å; Y84-W87 HydrophobicContact CE1-CE3 4.38Å; Y84-W87 HydrophobicContact CE1-CH2 4.32Å; Y84-W87 AromaticContact CE1-CZ3 3.7Å; Y84-W87 HydrophobicContact CE1-CZ3 3.7Å; V85-W87 PolarHBondContact O-N 3.4Å; W87-P143 PolarHBondContact NE1-O 3.4Å; W87-Y172 AromaticContact CH2-CD2 3.97Å; W87-Y172 HydrophobicContact CH2-CD2 3.97Å; W87-Y172 HydrophobicContact CH2-CE2 4.34Å; W87-Y172 HydrophobicContact CZ2-CD2 4.09Å; W87-W177 AromaticContact CH2-CD1 3.94Å; W87-W177 AromaticContact CH2-NE1 3.59Å; W87-S183 VanDerWaalsContact CH2-O 3.28Å; W87-S183 WeakPolarHBondContact CH2-O 3.46Å; W87-S183 WeakPolarHBondContact CZ3-O 3.48Å; W87-N184 WeakPolarHBondContact CZ3-O 3.49Å; W87-P185 HydrophobicContact CH2-CB 4.21Å; W87-P185 HydrophobicContact CZ2-CB 3.67Å; W87-P185 HydrophobicContact CZ2-CG 4.39Å; W87-P186 HydrophobicContact CB-CG 4.16Å; W87-P186 HydrophobicContact CG-CG 4.39Å
88R83.3Confident87.2Confident137 Ų13732.6 Ų32.652%0.51716%0.161SC..THydrogen-bonded Turntrans-99.3-46172.6-56.3179.7-162.8-165.80.7111.1V85 L86 P90V85-R88 WeakPolarHBondContact O-CB 3.38Å; V85-R88 PolarHBondContact O-N 2.9Å; L86-R88 VanDerWaalsContact C-N 3.29Å; R88-P90 WeakPolarHBondContact O-CD 3.49Å
89H82.3Confident87.3Confident18 Ų1833.3 Ų33.38%0.08316%0.164CC..  trans-12177.9179.7-47.2-95.6000109.6E37 V85 S91 L92E37-H89 IonicContact OE1-CE1 3.7Å; E37-H89 IonicContact OE1-CG 3.21Å; E37-H89 IonicContact OE1-ND1 3.86Å; E37-H89 PolarHBondContact OE1-ND1 3.18Å; V85-H89 PolarHBondContact O-N 3.42Å; H89-S91 PolarHBondContact O-N 2.92Å; H89-L92 HydrophobicContact CB-CB 4.43Å; H89-L92 WeakPolarHBondContact O-CB 3.33Å; H89-L92 PolarHBondContact O-N 3.24Å
90P79.2Confident87.1Confident57 Ų5735.5 Ų35.537%0.3718%0.184SC..G310 helixtrans-67.1-23.5-178.526.3-34.3000113.1L86 R88 L92L86-P90 VanDerWaalsContact O-CA 3.22Å; L86-P90 WeakPolarHBondContact O-CA 3.36Å; R88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-L92 PolarHBondContact O-N 3.45Å
91S79Confident86.9Confident93 Ų9339.9 Ų39.965%0.6521%0.213SC*.G310 helixtrans-70.1-4.9174.647.40000114.9H89 L93H89-S91 PolarHBondContact O-N 2.92Å; S91-L93 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.22Å
92L82.8Confident86.7Confident10 Ų1041.3 Ų41.35%0.05222%0.222CC..G310 helixtrans-66.6-25-175.3-18062.4000114.2F30 V33 P81 V85 L86 H89 P90F30-L92 HydrophobicContact CB-CD1 3.71Å; F30-L92 HydrophobicContact CD1-CD1 4.06Å; F30-L92 HydrophobicContact CD1-CG 4.47Å; F30-L92 HydrophobicContact CD2-CD1 4.3Å; F30-L92 HydrophobicContact CG-CD1 3.75Å; V33-L92 HydrophobicContact CG2-CD1 3.23Å; P81-L92 HydrophobicContact CB-CD2 3.72Å; P81-L92 HydrophobicContact CG-CD2 3.85Å; V85-L92 HydrophobicContact CG1-CD2 3.73Å; L86-L92 HydrophobicContact CD2-CB 3.85Å; L86-L92 HydrophobicContact CD2-CD2 3.94Å; L86-L92 HydrophobicContact CD2-CG 4.23Å; H89-L92 HydrophobicContact CB-CB 4.43Å; H89-L92 WeakPolarHBondContact O-CB 3.33Å; H89-L92 PolarHBondContact O-N 3.24Å; P90-L92 PolarHBondContact O-N 3.45Å
93L85.7Confident86.4Confident12 Ų1242.9 Ų42.96%0.06323%0.23CC..SBendtrans-138.2150.6-174.7-69.7-177.2000112.5F30 P81 L86 S91 C132 A134 V146F30-L93 HydrophobicContact CD1-CD2 4.14Å; F30-L93 HydrophobicContact CE1-CD2 3.71Å; P81-L93 HydrophobicContact CG-CD1 3.69Å; P81-L93 HydrophobicContact CG-CG 4.18Å; L86-L93 HydrophobicContact CD1-CD1 4.08Å; L86-L93 HydrophobicContact CD2-CB 4.46Å; L86-L93 HydrophobicContact CD2-CD1 4.02Å; L86-L93 HydrophobicContact CD2-CG 4.06Å; S91-L93 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.22Å; L93-C132 HydrophobicContact CD2-CB 3.6Å; L93-A134 HydrophobicContact CB-CB 4.02Å; L93-A134 HydrophobicContact CD1-CB 4.33Å; L93-V146 HydrophobicContact CD1-CG1 3.93Å
94P87.8Confident86.1Confident49 Ų4950.2 Ų50.232%0.31827%0.265SS..  trans-54.8140.8164.5-25.134.7000112.5P125 V127 C133 A134P94-P125 HydrophobicContact CB-CB 4.31Å; P94-P125 HydrophobicContact CB-CG 4.41Å; P94-V127 HydrophobicContact CB-CG2 3.54Å; P94-V127 HydrophobicContact CG-CG2 4.11Å; P94-C133 WeakPolarHBondContact O-CA 3.42Å; P94-A134 PolarHBondContact O-N 2.84Å
95V88.5Confident86.2Confident57 Ų5756.1 Ų56.135%0.34529%0.29SS..EExtended strand (participates in β ladder)trans-112.6129.6-165.9157.30000112.2P125 A134 L136V95-P125 WeakPolarHBondContact O-CG 3.5Å; V95-A134 HydrophobicContact CG2-CB 4.43Å; V95-L136 HydrophobicContact CB-CD1 4.29Å; V95-L136 HydrophobicContact CG1-CD1 3.82Å; V95-L136 HydrophobicContact CG1-CD2 3.84Å; V95-L136 HydrophobicContact CG1-CG 4.27Å; V95-L136 HydrophobicContact CG2-CD1 3.78Å; V95-L136 HydrophobicContact CG2-CD2 4.34Å
96F88.3Confident86.2Confident3 Ų356 Ų561%0.01329%0.29CS..EExtended strand (participates in β ladder)trans-114.2120.8167.5-63.9-71.8000110.8L112 V117 L124 P125 V127 C133 A134 V135 L136 M156 V166F96-L112 HydrophobicContact CB-CD2 4.36Å; F96-V117 HydrophobicContact CD1-CG1 4.37Å; F96-L124 HydrophobicContact CD1-CD2 3.92Å; F96-L124 HydrophobicContact CE1-CD2 3.82Å; F96-P125 HydrophobicContact CD1-CG 4.31Å; F96-P125 HydrophobicContact CE1-CG 3.83Å; F96-P125 HydrophobicContact CZ-CG 4.12Å; F96-V127 HydrophobicContact CE2-CG1 4.24Å; F96-V127 HydrophobicContact CE2-CG2 4.25Å; F96-V127 HydrophobicContact CZ-CB 4.04Å; F96-V127 HydrophobicContact CZ-CG1 3.97Å; F96-V127 HydrophobicContact CZ-CG2 3.79Å; F96-C133 HydrophobicContact CD2-CB 3.93Å; F96-C133 HydrophobicContact CE2-CB 3.67Å; F96-A134 PolarHBondContact N-O 3.37Å; F96-V135 CarbonylContact O-C 3.52Å; F96-V135 VanDerWaalsContact O-CA 3.31Å; F96-V135 WeakPolarHBondContact O-CA 3.46Å; F96-L136 PolarHBondContact O-N 2.71Å; F96-M156 HydrophobicContact CD1-CE 4.35Å; F96-M156 HydrophobicContact CE1-CE 3.66Å; F96-M156 HydrophobicContact CZ-CE 3.98Å; F96-V166 HydrophobicContact CD2-CG2 3.6Å; F96-V166 HydrophobicContact CE2-CG2 3.75Å; F96-V166 HydrophobicContact CG-CG2 4.35Å
97R89.2Confident86.1Confident47 Ų4758.3 Ų58.318%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-84.1139.9177.6-153.7179.2-134.3-176.3-1109.7V117 V118 L136 V138 D190 D193R97-V117 WeakPolarHBondContact O-CA 3.45Å; R97-V118 HydrophobicContact CB-CB 4.26Å; R97-V118 PolarHBondContact O-N 2.82Å; R97-L136 CarbonylContact C-O 3.56Å; R97-L136 WeakPolarHBondContact CA-O 3.42Å; R97-V138 HydrophobicContact CG-CG2 4.17Å; R97-D190 IonicContact CZ-OD2 3Å; R97-D190 IonicContact NH2-OD1 3.9Å; R97-D190 PolarHBondContact NH2-OD1 2.89Å; R97-D190 IonicContact NH2-OD2 3.61Å; R97-D190 PolarHBondContact NH2-OD2 3.41Å; R97-D193 IonicContact CZ-OD2 2.67Å; R97-D193 IonicContact NH1-OD1 2.68Å; R97-D193 IonicContact NH1-OD2 3.29Å; R97-D193 PolarHBondContact NH1-OD2 3.25Å; R97-D193 IonicContact NH2-OD2 2.68Å; R97-D193 PolarHBondContact NH2-OD2 2.97Å
98T90.2Very high85.9Confident0 Ų059.7 Ų59.70%033%0.326CS..EExtended strand (participates in β ladder)trans-139.4158.9179.5-166.60000112.5V102 G116 V135 L136 I137 V138T98-V102 HydrophobicContact CG2-CB 4.39Å; T98-V102 WeakPolarHBondContact OG1-CB 3.45Å; T98-G116 WeakPolarHBondContact CA-O 3.41Å; T98-G116 WeakPolarHBondContact CB-O 3.4Å; T98-G116 PolarHBondContact OG1-O 2.84Å; T98-V135 HydrophobicContact CG2-CG1 3.7Å; T98-L136 WeakPolarHBondContact CG2-O 3.45Å; T98-L136 PolarHBondContact N-O 2.89Å; T98-I137 WeakPolarHBondContact O-CA 3.46Å; T98-V138 PolarHBondContact O-N 3.15Å; T98-V138 VanDerWaalsContact O-N 3.12Å
99W88.9Confident86Confident142 Ų14255 Ų5554%0.53832%0.321SS..  trans-72.3142.3178.2-60.2103.3000112.3P101 V102 V118 V138W99-P101 VanDerWaalsContact C-N 3.34Å; W99-P101 VanDerWaalsContact O-N 3.14Å; W99-V102 HydrophobicContact CB-CG2 4.28Å; W99-V102 VanDerWaalsContact O-CB 3.28Å; W99-V102 WeakPolarHBondContact O-CB 3.3Å; W99-V102 WeakPolarHBondContact O-CG2 3.45Å; W99-V102 PolarHBondContact O-N 3.11Å; W99-V118 HydrophobicContact CD2-CG2 3.84Å; W99-V118 HydrophobicContact CE3-CG2 4.49Å; W99-V118 HydrophobicContact CG-CG2 4.06Å; W99-V118 HydrophobicContact CZ2-CG2 3.95Å; W99-V138 HydrophobicContact CE3-CG2 4.17Å; W99-V138 HydrophobicContact CZ3-CG2 4.4Å
100A85.8Confident86.4Confident60 Ų6056.1 Ų56.150%0.49633%0.333SS..Hα-helixtrans-51.7-36.7-178.600000115.9V102 L103 I137A100-V102 PolarHBondContact O-N 3Å; A100-L103 WeakPolarHBondContact O-CB 3.35Å; A100-L103 PolarHBondContact O-N 3.48Å; A100-I137 HydrophobicContact CB-CG2 3.85Å
101P86.8Confident87Confident99 Ų9955.5 Ų55.564%0.64333%0.327SS*.Hα-helixtrans-63-22.1175.3-24.636.3000114.6W99W99-P101 VanDerWaalsContact C-N 3.34Å; W99-P101 VanDerWaalsContact O-N 3.14Å
102V86.8Confident87.5Confident31 Ų3151 Ų5119%0.18830%0.296CS..Hα-helixtrans-71.5-32.4178.4-174.50000110.9T98 W99 A100 Q104 K105 L106 L112T98-V102 HydrophobicContact CG2-CB 4.39Å; T98-V102 WeakPolarHBondContact OG1-CB 3.45Å; W99-V102 HydrophobicContact CB-CG2 4.28Å; W99-V102 VanDerWaalsContact O-CB 3.28Å; W99-V102 WeakPolarHBondContact O-CB 3.3Å; W99-V102 WeakPolarHBondContact O-CG2 3.45Å; W99-V102 PolarHBondContact O-N 3.11Å; A100-V102 PolarHBondContact O-N 3Å; V102-Q104 VanDerWaalsContact C-N 3.27Å; V102-Q104 PolarHBondContact O-N 3.18Å; V102-K105 WeakPolarHBondContact O-CA 3.37Å; V102-K105 WeakPolarHBondContact O-CB 3.47Å; V102-K105 PolarHBondContact O-N 3.26Å; V102-L106 HydrophobicContact CG1-CD1 4.49Å; V102-L106 HydrophobicContact CG1-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.14Å; V102-L106 PolarHBondContact O-N 3.44Å; V102-L106 VanDerWaalsContact O-N 3.08Å; V102-L112 HydrophobicContact CG1-CD1 3.89Å
103L86.1Confident88Confident33 Ų3355.1 Ų55.117%0.17332%0.315CS..Hα-helixtrans-50.7-45.3177.8176.165.9000112.2A100 K105 L106 I107 I137 V144A100-L103 WeakPolarHBondContact O-CB 3.35Å; A100-L103 PolarHBondContact O-N 3.48Å; L103-K105 PolarHBondContact O-N 2.93Å; L103-K105 VanDerWaalsContact O-N 3.12Å; L103-L106 PolarHBondContact O-N 3Å; L103-I107 HydrophobicContact CD1-CD1 3.89Å; L103-I107 HydrophobicContact CD1-CG1 3.91Å; L103-I107 HydrophobicContact CD2-CD1 4.14Å; L103-I107 HydrophobicContact CG-CD1 3.71Å; L103-I107 HydrophobicContact CG-CG1 4.14Å; L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 3.45Å; L103-I137 HydrophobicContact CB-CD1 3.88Å; L103-I137 HydrophobicContact CD1-CD1 4.23Å; L103-I137 HydrophobicContact CD2-CD1 3.73Å; L103-I137 HydrophobicContact CG-CD1 4.13Å; L103-V144 HydrophobicContact CD1-CB 3.98Å; L103-V144 HydrophobicContact CD1-CG2 4.05Å
104Q85.8Confident88.1Confident154 Ų15454.7 Ų54.772%0.7231%0.313SS*.Hα-helixtrans-62.5-22179.8-67.1-1681.100113.2V102V102-Q104 VanDerWaalsContact C-N 3.27Å; V102-Q104 PolarHBondContact O-N 3.18Å
105K89.3Confident88Confident138 Ų13856.8 Ų56.860%0.633%0.327SS*.Hα-helixtrans-84-39.3172.9-50-53.6-179.2-172.10111.3V102 L103 G108 G109 A110V102-K105 WeakPolarHBondContact O-CA 3.37Å; V102-K105 WeakPolarHBondContact O-CB 3.47Å; V102-K105 PolarHBondContact O-N 3.26Å; L103-K105 PolarHBondContact O-N 2.93Å; L103-K105 VanDerWaalsContact O-N 3.12Å; K105-G108 CarbonylContact O-C 3.6Å; K105-G108 WeakPolarHBondContact O-CA 3.47Å; K105-G108 PolarHBondContact O-N 3.1Å; K105-G108 VanDerWaalsContact O-N 3.14Å; K105-G109 PolarHBondContact O-N 3.06Å; K105-A110 HydrophobicContact CB-CB 4.23Å; K105-A110 VanDerWaalsContact O-CB 3.25Å; K105-A110 WeakPolarHBondContact O-CB 3.36Å; K105-A110 PolarHBondContact O-N 2.83Å; K105-A110 VanDerWaalsContact O-N 3.1Å
106L87.9Confident87.8Confident1 Ų154.7 Ų54.71%0.00532%0.317CS..Hα-helixtrans-63.5-44.6176.3-53.9-171.2000111.5V102 L103 G108 G109 L112 V135 A145 V168V102-L106 HydrophobicContact CG1-CD1 4.49Å; V102-L106 HydrophobicContact CG1-CD2 4.11Å; V102-L106 HydrophobicContact CG1-CG 4.14Å; V102-L106 PolarHBondContact O-N 3.44Å; V102-L106 VanDerWaalsContact O-N 3.08Å; L103-L106 PolarHBondContact O-N 3Å; L106-G108 PolarHBondContact O-N 3.14Å; L106-G109 WeakPolarHBondContact O-CA 3.41Å; L106-G109 PolarHBondContact O-N 3.17Å; L106-L112 HydrophobicContact CD2-CB 4.32Å; L106-V135 HydrophobicContact CD1-CG1 4.06Å; L106-A145 HydrophobicContact CD1-CB 4.42Å; L106-V168 HydrophobicContact CD2-CG2 4.28Å
107I86.4Confident87.7Confident49 Ų4955.1 Ų55.125%0.25132%0.32SS..Hα-helixtrans-58-36.2172.5-64.4175.2000111L103 G109 M173L103-I107 HydrophobicContact CD1-CD1 3.89Å; L103-I107 HydrophobicContact CD1-CG1 3.91Å; L103-I107 HydrophobicContact CD2-CD1 4.14Å; L103-I107 HydrophobicContact CG-CD1 3.71Å; L103-I107 HydrophobicContact CG-CG1 4.14Å; L103-I107 WeakPolarHBondContact O-CG1 3.27Å; L103-I107 PolarHBondContact O-N 3.45Å; I107-G109 PolarHBondContact O-N 2.81Å; I107-G109 VanDerWaalsContact O-N 3.16Å; I107-M173 HydrophobicContact CD1-CB 4.46Å; I107-M173 HydrophobicContact CD1-CG 4.38Å; I107-M173 HydrophobicContact CD1-SD 4.24Å; I107-M173 HydrophobicContact CG2-CB 4.28Å
108G84.5Confident87.4Confident63 Ų6354.2 Ų54.265%0.64932%0.319SS*.THydrogen-bonded Turntrans-68.1-2.7172.200000115.1K105 L106K105-G108 CarbonylContact O-C 3.6Å; K105-G108 WeakPolarHBondContact O-CA 3.47Å; K105-G108 PolarHBondContact O-N 3.1Å; K105-G108 VanDerWaalsContact O-N 3.14Å; L106-G108 PolarHBondContact O-N 3.14Å
109G84.3Confident86.8Confident39 Ų3958.5 Ų58.540%0.40234%0.34SS..THydrogen-bonded Turntrans8422.6-179.400000114.9K105 L106 I107K105-G109 PolarHBondContact O-N 3.06Å; L106-G109 WeakPolarHBondContact O-CA 3.41Å; L106-G109 PolarHBondContact O-N 3.17Å; I107-G109 PolarHBondContact O-N 2.81Å; I107-G109 VanDerWaalsContact O-N 3.16Å
110A90.1Very high86.1Confident41 Ų4153.9 Ų53.934%0.33933%0.329SS..  trans-81.9151.4173.300000112.6K105K105-A110 HydrophobicContact CB-CB 4.23Å; K105-A110 VanDerWaalsContact O-CB 3.25Å; K105-A110 WeakPolarHBondContact O-CB 3.36Å; K105-A110 PolarHBondContact O-N 2.83Å; K105-A110 VanDerWaalsContact O-N 3.1Å
111D92.4Very high85Confident44 Ų4457.6 Ų57.624%0.23535%0.351CS..  trans-70.9153.1168.3-68.9-28.3000110.7M113 R164 C167 V168D111-M113 PolarHBondContact O-N 3.37Å; D111-R164 HydrophobicContact CB-CG 4.35Å; D111-R164 VanDerWaalsContact OD2-CD 3.23Å; D111-R164 WeakPolarHBondContact OD2-CD 3.34Å; D111-R164 IonicContact OD2-NH1 3.45Å; D111-R164 PolarHBondContact OD2-NH1 3.39Å; D111-C167 VanDerWaalsContact OD1-CA 3.28Å; D111-C167 WeakPolarHBondContact OD1-CA 3.25Å; D111-C167 PolarHBondContact OD1-SG 2.93Å; D111-C167 VanDerWaalsContact OD1-SG 3.38Å; D111-V168 PolarHBondContact OD1-N 3.37Å
112L90.9Very high83.8Confident0 Ų058.4 Ų58.40%036%0.358CS..EExtended strand (participates in β ladder)trans-78.4112.4172.9-179.760.2000109.6F96 V102 L106 V117 V135 G165 V166F96-L112 HydrophobicContact CB-CD2 4.36Å; V102-L112 HydrophobicContact CG1-CD1 3.89Å; L106-L112 HydrophobicContact CD2-CB 4.32Å; L112-V117 HydrophobicContact CD1-CG2 4.49Å; L112-V117 HydrophobicContact CD2-CG2 4Å; L112-V117 HydrophobicContact CG-CG2 4.09Å; L112-V135 HydrophobicContact CD2-CG1 3.91Å; L112-V135 HydrophobicContact CD2-CG2 3.88Å; L112-G165 PolarHBondContact O-N 3.28Å; L112-V166 HydrophobicContact CB-CB 4.09Å; L112-V166 HydrophobicContact CD2-CB 4.4Å; L112-V166 HydrophobicContact CD2-CG2 4.4Å; L112-V166 PolarHBondContact N-O 3.45Å; L112-V166 PolarHBondContact O-N 3.12Å
113M92.1Very high82.9Confident95 Ų9558 Ų5847%0.46836%0.36SS..EExtended strand (participates in β ladder)trans-78.9141.9174.6-58.1-62.8-69.300110.4D111 P115 G116 G163 R164D111-M113 PolarHBondContact O-N 3.37Å; M113-P115 VanDerWaalsContact C-CD 3.5Å; M113-G116 PolarHBondContact O-N 2.92Å; M113-G163 CarbonylContact C-O 3.58Å; M113-G163 WeakPolarHBondContact CA-O 3.4Å; M113-G163 WeakPolarHBondContact CE-O 3.43Å; M113-R164 HydrophobicContact CE-CG 4.29Å; M113-R164 HydrophobicContact SD-CB 4.46Å; M113-R164 HydrophobicContact SD-CG 3.52Å; M113-R164 VanDerWaalsContact SD-CG 3.52Å
114L87.3Confident82.4Confident3 Ų357.4 Ų57.42%0.01636%0.357CS..G310 helixtrans-55.6-39.6-178-68.6174.8000114.4G116 V117 M156 M161 G163 G165L114-G116 PolarHBondContact O-N 2.83Å; L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 2.91Å; L114-M156 HydrophobicContact CD1-CB 4.21Å; L114-M156 HydrophobicContact CD1-CG 4.15Å; L114-M156 HydrophobicContact CD2-CB 3.94Å; L114-M156 HydrophobicContact CD2-CE 3.45Å; L114-M156 VanDerWaalsContact CD2-CE 3.45Å; L114-M156 HydrophobicContact CD2-CG 3.72Å; L114-M156 HydrophobicContact CD2-SD 4.24Å; L114-M161 CarbonylContact C-O 3.55Å; L114-M161 HydrophobicContact CB-CB 4.17Å; L114-M161 HydrophobicContact CB-CE 4.5Å; L114-M161 WeakPolarHBondContact CB-O 3.3Å; L114-M161 HydrophobicContact CB-SD 4.49Å; L114-M161 HydrophobicContact CD2-CE 4.36Å; L114-M161 HydrophobicContact CD2-SD 4.28Å; L114-G163 PolarHBondContact N-O 2.84Å; L114-G165 VanDerWaalsContact CD2-CA 3.41Å
115P86.5Confident82.1Confident94 Ų9451.9 Ų51.961%0.6133%0.334SS*.G310 helixtrans-65.4-7.5174.9-21.533.6000115.1M113 M161M113-P115 VanDerWaalsContact C-CD 3.5Å; P115-M161 WeakPolarHBondContact CD-O 3.34Å; P115-M161 VanDerWaalsContact CG-O 3.3Å; P115-M161 WeakPolarHBondContact CG-O 3.34Å
116G84.5Confident81.8Confident12 Ų1251.4 Ų51.412%0.12434%0.338CS..G310 helixtrans-95-8173.400000114T98 M113 L114T98-G116 WeakPolarHBondContact CA-O 3.41Å; T98-G116 WeakPolarHBondContact CB-O 3.4Å; T98-G116 PolarHBondContact OG1-O 2.84Å; M113-G116 PolarHBondContact O-N 2.92Å; L114-G116 PolarHBondContact O-N 2.83Å
117V86.4Confident81.7Confident13 Ų1351.5 Ų51.58%0.07934%0.339CS..EExtended strand (participates in β ladder)trans-80.5132.9177.1-177.80000108.9F96 R97 L112 L114 L124 M161F96-V117 HydrophobicContact CD1-CG1 4.37Å; R97-V117 WeakPolarHBondContact O-CA 3.45Å; L112-V117 HydrophobicContact CD1-CG2 4.49Å; L112-V117 HydrophobicContact CD2-CG2 4Å; L112-V117 HydrophobicContact CG-CG2 4.09Å; L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 2.91Å; V117-L124 HydrophobicContact CG1-CD2 4.01Å; V117-M161 HydrophobicContact CB-CE 3.75Å; V117-M161 HydrophobicContact CG1-CE 4.06Å; V117-M161 HydrophobicContact CG2-CE 4.45Å
118V83.1Confident81.7Confident27 Ų2756.4 Ų56.416%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-85.7125.4170.6178.50000107.6R97 W99 P120 V138R97-V118 HydrophobicContact CB-CB 4.26Å; R97-V118 PolarHBondContact O-N 2.82Å; W99-V118 HydrophobicContact CD2-CG2 3.84Å; W99-V118 HydrophobicContact CE3-CG2 4.49Å; W99-V118 HydrophobicContact CG-CG2 4.06Å; W99-V118 HydrophobicContact CZ2-CG2 3.95Å; V118-P120 VanDerWaalsContact O-CD 3.31Å; V118-P120 WeakPolarHBondContact O-CD 3.29Å; V118-V138 HydrophobicContact CB-CG2 4.46Å; V118-V138 HydrophobicContact CG2-CG2 3.75Å
119M76.3Confident81.9Confident91 Ų9159.6 Ų59.645%0.44836%0.356SS..PPolyproline II helixtrans-75.9119172.4-67.4-63.3-64.900109.2L124 M161M119-L124 HydrophobicContact CE-CD1 3.97Å; M119-L124 HydrophobicContact CE-CG 3.82Å; M119-L124 HydrophobicContact SD-CD1 3.76Å; M119-L124 HydrophobicContact SD-CD2 4.03Å; M119-L124 HydrophobicContact SD-CG 3.64Å; M119-M161 HydrophobicContact SD-CE 3.72Å; M119-M161 HydrophobicContact SD-SD 4.21Å
120P74.1Confident82Confident45 Ų4558.1 Ų58.129%0.29234%0.341SS..PPolyproline II helixtrans-67.4159.2167.4-16.632000111.2V118 C122 G123V118-P120 VanDerWaalsContact O-CD 3.31Å; V118-P120 WeakPolarHBondContact O-CD 3.29Å; P120-C122 PolarHBondContact O-N 3.45Å; P120-G123 VanDerWaalsContact CD-O 3.27Å; P120-G123 WeakPolarHBondContact CD-O 3.31Å; P120-G123 WeakPolarHBondContact CG-O 3.32Å; P120-G123 PolarHBondContact O-N 2.88Å
121S63.7Low81.9Confident138 Ų13857.9 Ų57.997%0.96534%0.337SS*.THydrogen-bonded Turntrans-59.8-28.3170.449.60000113.2G123S121-G123 VanDerWaalsContact C-N 3.34Å
122C61.4Low81.8Confident116 Ų11657 Ų5778%0.78433%0.334SS*.THydrogen-bonded Turntrans-86.66.3173.358.20000114.7P120P120-C122 PolarHBondContact O-N 3.45Å
123G68.6Low81.8Confident23 Ų2357 Ų5724%0.23733%0.334CS..  trans83.1-173.5178.300000115P120 S121P120-G123 VanDerWaalsContact CD-O 3.27Å; P120-G123 WeakPolarHBondContact CD-O 3.31Å; P120-G123 WeakPolarHBondContact CG-O 3.32Å; P120-G123 PolarHBondContact O-N 2.88Å; S121-G123 VanDerWaalsContact C-N 3.34Å
124L75.2Confident81.7Confident19 Ų1952.4 Ų52.410%0.09931%0.311CS..PPolyproline II helixtrans-76.7143.2174.1-72.7157.4000109.8F96 V117 M119 M156 Q157 M161F96-L124 HydrophobicContact CD1-CD2 3.92Å; F96-L124 HydrophobicContact CE1-CD2 3.82Å; V117-L124 HydrophobicContact CG1-CD2 4.01Å; M119-L124 HydrophobicContact CE-CD1 3.97Å; M119-L124 HydrophobicContact CE-CG 3.82Å; M119-L124 HydrophobicContact SD-CD1 3.76Å; M119-L124 HydrophobicContact SD-CD2 4.03Å; M119-L124 HydrophobicContact SD-CG 3.64Å; L124-M156 HydrophobicContact CD1-CB 4.43Å; L124-M156 HydrophobicContact CD2-CE 4.32Å; L124-Q157 HydrophobicContact CD1-CG 3.79Å; L124-M161 HydrophobicContact CD1-CE 4.33Å; L124-M161 HydrophobicContact CD1-SD 3.94Å; L124-M161 HydrophobicContact CD2-CE 4.45Å
125P79.6Confident81.9Confident39 Ų3952.3 Ų52.325%0.25331%0.311SS..PPolyproline II helixtrans-60.9148.617229-37000110.7P94 V95 F96 V127 S153P94-P125 HydrophobicContact CB-CB 4.31Å; P94-P125 HydrophobicContact CB-CG 4.41Å; V95-P125 WeakPolarHBondContact O-CG 3.5Å; F96-P125 HydrophobicContact CD1-CG 4.31Å; F96-P125 HydrophobicContact CE1-CG 3.83Å; F96-P125 HydrophobicContact CZ-CG 4.12Å; P125-V127 HydrophobicContact CB-CG2 4.07Å; P125-V127 HydrophobicContact CG-CG2 3.84Å; P125-V127 PolarHBondContact O-N 3.48Å; P125-S153 WeakPolarHBondContact O-CB 3.3Å; P125-S153 PolarHBondContact O-OG 2.85Å
126D81.9Confident82.1Confident128 Ų12848.7 Ų48.768%0.68429%0.286SS*.PPolyproline II helixtrans-67.4119.1169.6179.735.8000110.1
127V86Confident82.2Confident2 Ų249 Ų491%0.01229%0.285CS..  trans-144.4108.7-170.4171.20000107.7P94 F96 P125 S131 A149 S152 S153P94-V127 HydrophobicContact CB-CG2 3.54Å; P94-V127 HydrophobicContact CG-CG2 4.11Å; F96-V127 HydrophobicContact CE2-CG1 4.24Å; F96-V127 HydrophobicContact CE2-CG2 4.25Å; F96-V127 HydrophobicContact CZ-CB 4.04Å; F96-V127 HydrophobicContact CZ-CG1 3.97Å; F96-V127 HydrophobicContact CZ-CG2 3.79Å; P125-V127 HydrophobicContact CB-CG2 4.07Å; P125-V127 HydrophobicContact CG-CG2 3.84Å; P125-V127 PolarHBondContact O-N 3.48Å; V127-S131 WeakPolarHBondContact CG1-OG 3.33Å; V127-A149 HydrophobicContact CG1-CB 3.42Å; V127-A149 VanDerWaalsContact CG1-CB 3.42Å; V127-S152 CarbonylContact O-C 3.54Å; V127-S152 VanDerWaalsContact O-CA 3.25Å; V127-S152 WeakPolarHBondContact O-CA 3.35Å; V127-S153 WeakPolarHBondContact CB-OG 3.35Å; V127-S153 PolarHBondContact N-OG 2.89Å; V127-S153 PolarHBondContact O-N 3.12Å; V127-S153 PolarHBondContact O-OG 2.88Å
128K87.8Confident82.1Confident152 Ų15249.8 Ų49.866%0.66129%0.29SS*.  trans-75.7146.4176.2-62.5-179.1-177.91790110.8G130 S131K128-G130 PolarHBondContact O-N 2.68Å; K128-S131 WeakPolarHBondContact O-CB 3.43Å; K128-S131 PolarHBondContact O-N 3.06Å; K128-S131 VanDerWaalsContact O-N 3.13Å; K128-S131 PolarHBondContact O-OG 2.99Å; K128-S131 VanDerWaalsContact O-OG 3.11Å
129Q88.9Confident81.8Confident130 Ų13054.1 Ų54.161%0.60731%0.312SS*.THydrogen-bonded Turntrans-52.4126.6-178-171.8-173.161.800111.2A150Q129-A150 PolarHBondContact NE2-O 3.46Å
130G85.5Confident81.9Confident8 Ų851.3 Ų51.38%0.08230%0.299CS..THydrogen-bonded Turntrans83.57.3176.100000116.4R78 K128 K148 A149R78-G130 PolarHBondContact NH1-O 3Å; K128-G130 PolarHBondContact O-N 2.68Å; G130-K148 WeakPolarHBondContact O-CE 3.47Å; G130-A149 VanDerWaalsContact CA-O 3.25Å; G130-A149 WeakPolarHBondContact CA-O 3.42Å; G130-A149 PolarHBondContact N-O 3.26Å
131S88.4Confident82Confident37 Ų3753.4 Ų53.426%0.25930%0.301SS..  trans-69.5167.8167.268.30000112.2V127 K128 K148 A149V127-S131 WeakPolarHBondContact CG1-OG 3.33Å; K128-S131 WeakPolarHBondContact O-CB 3.43Å; K128-S131 PolarHBondContact O-N 3.06Å; K128-S131 VanDerWaalsContact O-N 3.13Å; K128-S131 PolarHBondContact O-OG 2.99Å; K128-S131 VanDerWaalsContact O-OG 3.11Å; S131-K148 VanDerWaalsContact O-CA 3.3Å; S131-K148 WeakPolarHBondContact O-CA 3.33Å; S131-A149 PolarHBondContact O-N 2.89Å
132C89.4Confident83Confident24 Ų2446.9 Ų46.916%0.16226%0.256CS..EExtended strand (participates in β ladder)trans-82.8140.4174.5-56.80000110.2Y80 L93Y80-C132 HydrophobicContact CD1-CB 4.28Å; Y80-C132 HydrophobicContact CE1-CB 4.22Å; Y80-C132 WeakPolarHBondContact CE1-SG 3.26Å; L93-C132 HydrophobicContact CD2-CB 3.6Å
133C90.6Very high84.3Confident0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-148.7154.2-179.949.30000112.5P94 F96 G147 V166P94-C133 WeakPolarHBondContact O-CA 3.42Å; F96-C133 HydrophobicContact CD2-CB 3.93Å; F96-C133 HydrophobicContact CE2-CB 3.67Å; C133-G147 PolarHBondContact N-O 2.75Å; C133-G147 PolarHBondContact O-N 2.78Å; C133-V166 VanDerWaalsContact SG-CG1 3.51Å
134A91.5Very high85.3Confident0 Ų040.5 Ų40.50%021%0.208CC..EExtended strand (participates in β ladder)trans-102.9150.1176.800000110.8L86 L93 P94 V95 F96 L136 P143L86-A134 HydrophobicContact CD1-CB 4.21Å; L93-A134 HydrophobicContact CB-CB 4.02Å; L93-A134 HydrophobicContact CD1-CB 4.33Å; P94-A134 PolarHBondContact O-N 2.84Å; V95-A134 HydrophobicContact CG2-CB 4.43Å; F96-A134 PolarHBondContact N-O 3.37Å; A134-L136 HydrophobicContact CB-CD1 4.13Å; A134-P143 HydrophobicContact CB-CB 4.14Å; A134-P143 HydrophobicContact CB-CG 4.35Å
135V90.6Very high86Confident0 Ų039.6 Ų39.60%020%0.204CC..EExtended strand (participates in β ladder)trans-119.8127.4174.3-175.80000109.3F96 T98 L106 L112 P143 V144 A145 V166F96-V135 CarbonylContact O-C 3.52Å; F96-V135 VanDerWaalsContact O-CA 3.31Å; F96-V135 WeakPolarHBondContact O-CA 3.46Å; T98-V135 HydrophobicContact CG2-CG1 3.7Å; L106-V135 HydrophobicContact CD1-CG1 4.06Å; L112-V135 HydrophobicContact CD2-CG1 3.91Å; L112-V135 HydrophobicContact CD2-CG2 3.88Å; V135-P143 CarbonylContact O-C 3.57Å; V135-P143 WeakPolarHBondContact O-CA 3.46Å; V135-V144 WeakPolarHBondContact O-CG2 3.39Å; V135-V144 PolarHBondContact O-N 2.67Å; V135-A145 HydrophobicContact CB-CB 4.12Å; V135-A145 HydrophobicContact CG2-CB 4.41Å; V135-A145 PolarHBondContact N-O 3.23Å; V135-A145 PolarHBondContact O-N 3.06Å; V135-V166 HydrophobicContact CG2-CG1 4.49Å
136L90.5Very high86.7Confident18 Ų1837.8 Ų37.89%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-117.6164-179.1-77.564.6000109.9V95 F96 R97 T98 A134 R141 P143V95-L136 HydrophobicContact CB-CD1 4.29Å; V95-L136 HydrophobicContact CG1-CD1 3.82Å; V95-L136 HydrophobicContact CG1-CD2 3.84Å; V95-L136 HydrophobicContact CG1-CG 4.27Å; V95-L136 HydrophobicContact CG2-CD1 3.78Å; V95-L136 HydrophobicContact CG2-CD2 4.34Å; F96-L136 PolarHBondContact O-N 2.71Å; R97-L136 CarbonylContact C-O 3.56Å; R97-L136 WeakPolarHBondContact CA-O 3.42Å; T98-L136 WeakPolarHBondContact CG2-O 3.45Å; T98-L136 PolarHBondContact N-O 2.89Å; A134-L136 HydrophobicContact CB-CD1 4.13Å; L136-R141 WeakPolarHBondContact CD2-O 3.31Å; L136-P143 HydrophobicContact CD1-CB 3.86Å; L136-P143 HydrophobicContact CD1-CG 3.63Å; L136-P143 HydrophobicContact CG-CB 4.48Å; L136-P143 HydrophobicContact CG-CG 4.14Å
137I87.7Confident87.2Confident18 Ų1831.7 Ų31.79%0.09216%0.159CC..EExtended strand (participates in β ladder)trans-105.9147.7175.2-50.9-176.5000109T98 A100 L103 N139 N140 V144T98-I137 WeakPolarHBondContact O-CA 3.46Å; A100-I137 HydrophobicContact CB-CG2 3.85Å; L103-I137 HydrophobicContact CB-CD1 3.88Å; L103-I137 HydrophobicContact CD1-CD1 4.23Å; L103-I137 HydrophobicContact CD2-CD1 3.73Å; L103-I137 HydrophobicContact CG-CD1 4.13Å; I137-N139 PolarHBondContact O-N 2.97Å; I137-N140 PolarHBondContact O-N 2.89Å; I137-N140 VanDerWaalsContact O-N 3.11Å; I137-V144 HydrophobicContact CD1-CB 4.41Å; I137-V144 HydrophobicContact CD1-CG1 3.83Å; I137-V144 HydrophobicContact CD1-CG2 4.03Å; I137-V144 HydrophobicContact CG1-CB 4.43Å; I137-V144 HydrophobicContact CG1-CG1 3.93Å; I137-V144 HydrophobicContact CG1-CG2 3.68Å
138V83Confident87.5Confident31 Ų3134.9 Ų34.919%0.18817%0.173CC..THydrogen-bonded Turntrans-48.6132.3163.5179.70000109.6R97 T98 W99 V118R97-V138 HydrophobicContact CG-CG2 4.17Å; T98-V138 PolarHBondContact O-N 3.15Å; T98-V138 VanDerWaalsContact O-N 3.12Å; W99-V138 HydrophobicContact CE3-CG2 4.17Å; W99-V138 HydrophobicContact CZ3-CG2 4.4Å; V118-V138 HydrophobicContact CB-CG2 4.46Å; V118-V138 HydrophobicContact CG2-CG2 3.75Å
139N76.4Confident87.6Confident117 Ų11727.8 Ų27.863%0.62614%0.142SC*.THydrogen-bonded Turntrans68.521.4-175.9-47.2-14.5000116I137I137-N139 PolarHBondContact O-N 2.97Å
140N79.4Confident87.7Confident32 Ų3223.3 Ų23.317%0.17113%0.127CC..EExtended strand (participates in β ladder)trans-153118169.3-170.6-6.7000113I137 A142 P186I137-N140 PolarHBondContact O-N 2.89Å; I137-N140 VanDerWaalsContact O-N 3.11Å; N140-A142 VanDerWaalsContact C-N 3.27Å; N140-A142 PolarHBondContact O-N 2.93Å; N140-A142 VanDerWaalsContact OD1-CB 3.32Å; N140-A142 WeakPolarHBondContact OD1-CB 3.48Å; N140-A142 PolarHBondContact OD1-N 2.89Å; N140-P186 PolarHBondContact OD1-O 3.24Å
141R75.3Confident87.8Confident89 Ų8923.6 Ų23.634%0.33613%0.129SC..EExtended strand (participates in β ladder)trans-70.4-14.1176.7-67.2-167.6167-173.5-4.1114.8L136 P143 L188 D190 D192L136-R141 WeakPolarHBondContact CD2-O 3.31Å; R141-P143 VanDerWaalsContact O-CD 3.29Å; R141-P143 WeakPolarHBondContact O-CD 3.43Å; R141-L188 HydrophobicContact CB-CB 4Å; R141-L188 PolarHBondContact N-O 3.44Å; R141-D190 WeakPolarHBondContact CG-OD1 3.36Å; R141-D190 IonicContact CZ-OD1 3.84Å; R141-D190 IonicContact NE-OD1 3.01Å; R141-D190 PolarHBondContact NE-OD1 3.12Å; R141-D190 IonicContact NH2-OD1 3.31Å; R141-D190 PolarHBondContact NH2-OD1 3.01Å; R141-D192 IonicContact CZ-OD2 2.7Å; R141-D192 IonicContact NH1-OD2 3.68Å; R141-D192 IonicContact NH2-OD2 3.58Å; R141-D192 PolarHBondContact NH2-OD2 3.43Å
142A85.1Confident87.8Confident2 Ų222.9 Ų22.92%0.01712%0.124CC..EExtended strand (participates in β ladder)trans-75.6121.5179.900000112.6N140 V144 P185 P186N140-A142 VanDerWaalsContact C-N 3.27Å; N140-A142 PolarHBondContact O-N 2.93Å; N140-A142 VanDerWaalsContact OD1-CB 3.32Å; N140-A142 WeakPolarHBondContact OD1-CB 3.48Å; N140-A142 PolarHBondContact OD1-N 2.89Å; A142-V144 PolarHBondContact O-N 3.39Å; A142-P185 HydrophobicContact CB-CB 3.82Å; A142-P186 HydrophobicContact CB-CG 4.07Å; A142-P186 WeakPolarHBondContact CB-O 3.28Å
143P88.4Confident87.7Confident1 Ų122.1 Ų22.11%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-64.2128179.5-29.641.1000113.8L86 W87 A134 V135 L136 R141L86-P143 HydrophobicContact CB-CB 4Å; L86-P143 HydrophobicContact CB-CG 3.89Å; L86-P143 HydrophobicContact CD1-CB 4.09Å; W87-P143 PolarHBondContact NE1-O 3.4Å; A134-P143 HydrophobicContact CB-CB 4.14Å; A134-P143 HydrophobicContact CB-CG 4.35Å; V135-P143 CarbonylContact O-C 3.57Å; V135-P143 WeakPolarHBondContact O-CA 3.46Å; L136-P143 HydrophobicContact CD1-CB 3.86Å; L136-P143 HydrophobicContact CD1-CG 3.63Å; L136-P143 HydrophobicContact CG-CB 4.48Å; L136-P143 HydrophobicContact CG-CG 4.14Å; R141-P143 VanDerWaalsContact O-CD 3.29Å; R141-P143 WeakPolarHBondContact O-CD 3.43Å
144V89.6Confident87.4Confident4 Ų425.2 Ų25.22%0.02415%0.145CC..EExtended strand (participates in β ladder)trans-99.7-16.4-176.5-62.90000113.7L103 V135 I137 A142 T171 Y172L103-V144 HydrophobicContact CD1-CB 3.98Å; L103-V144 HydrophobicContact CD1-CG2 4.05Å; V135-V144 WeakPolarHBondContact O-CG2 3.39Å; V135-V144 PolarHBondContact O-N 2.67Å; I137-V144 HydrophobicContact CD1-CB 4.41Å; I137-V144 HydrophobicContact CD1-CG1 3.83Å; I137-V144 HydrophobicContact CD1-CG2 4.03Å; I137-V144 HydrophobicContact CG1-CB 4.43Å; I137-V144 HydrophobicContact CG1-CG1 3.93Å; I137-V144 HydrophobicContact CG1-CG2 3.68Å; A142-V144 PolarHBondContact O-N 3.39Å; V144-T171 WeakPolarHBondContact O-CA 3.31Å; V144-T171 PolarHBondContact O-OG1 3.3Å; V144-Y172 PolarHBondContact O-N 3.05Å
145A91.4Very high87.1Confident0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-149.3158.4171.700000112.6L106 V135 V168 H170L106-A145 HydrophobicContact CD1-CB 4.42Å; V135-A145 HydrophobicContact CB-CB 4.12Å; V135-A145 HydrophobicContact CG2-CB 4.41Å; V135-A145 PolarHBondContact N-O 3.23Å; V135-A145 PolarHBondContact O-N 3.06Å; A145-V168 HydrophobicContact CB-CG1 4.06Å; A145-H170 CarbonylContact C-O 3.31Å; A145-H170 VanDerWaalsContact CA-O 3.28Å; A145-H170 WeakPolarHBondContact CA-O 3.4Å; A145-H170 WeakPolarHBondContact CB-O 3.49Å
146V93Very high86.9Confident0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-126.5132.8177.9-165.60000108.4P81 V83 L86 L93 L169 H170P81-V146 HydrophobicContact CG-CG1 4.45Å; V83-V146 HydrophobicContact CG1-CG2 4.07Å; L86-V146 HydrophobicContact CD1-CB 4.5Å; L86-V146 HydrophobicContact CD1-CG1 4.4Å; L86-V146 HydrophobicContact CD1-CG2 3.43Å; L86-V146 VanDerWaalsContact CD1-CG2 3.43Å; L93-V146 HydrophobicContact CD1-CG1 3.93Å; V146-L169 PolarHBondContact O-N 3.25Å; V146-H170 HydrophobicContact CB-CB 4.42Å; V146-H170 PolarHBondContact N-O 3.23Å; V146-H170 PolarHBondContact O-N 2.85Å
147G92.1Very high86.6Confident0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-150.5-171.9-173.500000114.4C133 C167C133-G147 PolarHBondContact N-O 2.75Å; C133-G147 PolarHBondContact O-N 2.78Å; G147-C167 CarbonylContact C-O 3.55Å; G147-C167 WeakPolarHBondContact CA-O 3.39Å
148K92.3Very high86.5Confident70 Ų7037.4 Ų37.430%0.30421%0.212SC..EExtended strand (participates in β ladder)trans-121.9129.8177.9178.8179.9177.8-176.70108.9G130 S131 A150 C167 L169G130-K148 WeakPolarHBondContact O-CE 3.47Å; S131-K148 VanDerWaalsContact O-CA 3.3Å; S131-K148 WeakPolarHBondContact O-CA 3.33Å; K148-A150 PolarHBondContact O-N 3.09Å; K148-C167 PolarHBondContact N-O 3Å; K148-C167 PolarHBondContact O-N 3.21Å; K148-L169 HydrophobicContact CB-CD1 4.44Å
149A91.3Very high86.4Confident2 Ų238.3 Ų38.32%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-60.4129.5176.600000110.5V127 G130 S131V127-A149 HydrophobicContact CG1-CB 3.42Å; V127-A149 VanDerWaalsContact CG1-CB 3.42Å; G130-A149 VanDerWaalsContact CA-O 3.25Å; G130-A149 WeakPolarHBondContact CA-O 3.42Å; G130-A149 PolarHBondContact N-O 3.26Å; S131-A149 PolarHBondContact O-N 2.89Å
150A90.1Very high86.7Confident36 Ų3634.9 Ų34.930%0.29821%0.213SC..SBendtrans-92.3-20.5-177.300000112.9Q129 K148 R164 G165Q129-A150 PolarHBondContact NE2-O 3.46Å; K148-A150 PolarHBondContact O-N 3.09Å; A150-R164 HydrophobicContact CB-CB 4.39Å; A150-G165 WeakPolarHBondContact CB-O 3.04Å; A150-G165 PolarHBondContact N-O 2.91Å
151A87.3Confident86.9Confident15 Ų1535 Ų3512%0.12421%0.213CC..SBendtrans-136.5171174.600000108.5E155 M156A151-E155 WeakPolarHBondContact CA-OE2 3.41Å; A151-E155 HydrophobicContact CB-CB 3.94Å; A151-E155 WeakPolarHBondContact CB-OE2 3.45Å; A151-M156 HydrophobicContact CB-CG 3.81Å
152S89.8Confident87.3Confident22 Ų2238.4 Ų38.415%0.15423%0.23CC..  trans-83.4160.3166.269.20000112.2V127 A154 E155 M156V127-S152 CarbonylContact O-C 3.54Å; V127-S152 VanDerWaalsContact O-CA 3.25Å; V127-S152 WeakPolarHBondContact O-CA 3.35Å; S152-A154 PolarHBondContact O-N 3.29Å; S152-E155 VanDerWaalsContact CB-OE1 3.23Å; S152-E155 WeakPolarHBondContact CB-OE1 3.32Å; S152-E155 VanDerWaalsContact N-CD 3.28Å; S152-E155 PolarHBondContact N-OE1 2.91Å; S152-E155 PolarHBondContact N-OE2 3.14Å; S152-E155 WeakPolarHBondContact O-CB 3.36Å; S152-E155 PolarHBondContact O-N 3.17Å; S152-E155 VanDerWaalsContact OG-CG 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.23Å; S152-E155 PolarHBondContact OG-N 3.21Å; S152-E155 PolarHBondContact OG-OE1 3.44Å; S152-M156 WeakPolarHBondContact O-CG 3.47Å; S152-M156 PolarHBondContact O-N 2.84Å
153S85.9Confident87.4Confident7 Ų739.8 Ų39.85%0.04924%0.244CC..Hα-helixtrans-57.6-36.1178.9-58.90000113.3P125 V127 M156 Q157P125-S153 WeakPolarHBondContact O-CB 3.3Å; P125-S153 PolarHBondContact O-OG 2.85Å; V127-S153 WeakPolarHBondContact CB-OG 3.35Å; V127-S153 PolarHBondContact N-OG 2.89Å; V127-S153 PolarHBondContact O-N 3.12Å; V127-S153 PolarHBondContact O-OG 2.88Å; S153-M156 PolarHBondContact O-N 3.34Å; S153-Q157 WeakPolarHBondContact O-CG 3.36Å; S153-Q157 PolarHBondContact O-N 2.56Å
154A84.8Confident87.4Confident65 Ų6546.8 Ų46.854%0.53727%0.27SS..Hα-helixtrans-66.8-41.8173.600000112.6S152 M156 Q157 S158S152-A154 PolarHBondContact O-N 3.29Å; A154-M156 VanDerWaalsContact C-N 3.31Å; A154-M156 PolarHBondContact O-N 3.15Å; A154-Q157 PolarHBondContact O-N 2.89Å; A154-S158 WeakPolarHBondContact O-CB 3.25Å; A154-S158 PolarHBondContact O-N 2.84Å; A154-S158 PolarHBondContact O-OG 2.89Å
155E85.2Confident87.3Confident84 Ų8446.6 Ų46.639%0.39327%0.27SS..Hα-helixtrans-62.8-36.3172-70.9152.3-128.600112.2A151 S152 S158 S159A151-E155 WeakPolarHBondContact CA-OE2 3.41Å; A151-E155 HydrophobicContact CB-CB 3.94Å; A151-E155 WeakPolarHBondContact CB-OE2 3.45Å; S152-E155 VanDerWaalsContact CB-OE1 3.23Å; S152-E155 WeakPolarHBondContact CB-OE1 3.32Å; S152-E155 VanDerWaalsContact N-CD 3.28Å; S152-E155 PolarHBondContact N-OE1 2.91Å; S152-E155 PolarHBondContact N-OE2 3.14Å; S152-E155 WeakPolarHBondContact O-CB 3.36Å; S152-E155 PolarHBondContact O-N 3.17Å; S152-E155 VanDerWaalsContact OG-CG 3.3Å; S152-E155 WeakPolarHBondContact OG-CG 3.23Å; S152-E155 PolarHBondContact OG-N 3.21Å; S152-E155 PolarHBondContact OG-OE1 3.44Å; E155-S158 WeakPolarHBondContact CA-OG 3.4Å; E155-S158 PolarHBondContact O-OG 3.38Å; E155-S159 WeakPolarHBondContact O-CB 3.23Å; E155-S159 PolarHBondContact O-N 3.28Å; E155-S159 PolarHBondContact O-OG 3.49Å
156M86.6Confident87.2Confident0 Ų046.7 Ų46.70%027%0.27CS..Hα-helixtrans-68.5-37.7179.4-66.8165.755.900111.8F96 L114 L124 A151 S152 S153 A154 S159 M161F96-M156 HydrophobicContact CD1-CE 4.35Å; F96-M156 HydrophobicContact CE1-CE 3.66Å; F96-M156 HydrophobicContact CZ-CE 3.98Å; L114-M156 HydrophobicContact CD1-CB 4.21Å; L114-M156 HydrophobicContact CD1-CG 4.15Å; L114-M156 HydrophobicContact CD2-CB 3.94Å; L114-M156 HydrophobicContact CD2-CE 3.45Å; L114-M156 VanDerWaalsContact CD2-CE 3.45Å; L114-M156 HydrophobicContact CD2-CG 3.72Å; L114-M156 HydrophobicContact CD2-SD 4.24Å; L124-M156 HydrophobicContact CD1-CB 4.43Å; L124-M156 HydrophobicContact CD2-CE 4.32Å; A151-M156 HydrophobicContact CB-CG 3.81Å; S152-M156 WeakPolarHBondContact O-CG 3.47Å; S152-M156 PolarHBondContact O-N 2.84Å; S153-M156 PolarHBondContact O-N 3.34Å; A154-M156 VanDerWaalsContact C-N 3.31Å; A154-M156 PolarHBondContact O-N 3.15Å; M156-S159 PolarHBondContact O-OG 2.87Å; M156-M161 HydrophobicContact CB-SD 4.44Å; M156-M161 WeakPolarHBondContact O-CA 3.46Å; M156-M161 PolarHBondContact O-N 2.92Å; M156-M161 VanDerWaalsContact O-N 3.12Å
157Q84.3Confident87.2Confident104 Ų10448.9 Ų48.949%0.48629%0.285SS..Hα-helixtrans-72.9-53.4174.4-68.9172.65.100111.7L124 S153 A154 S159 G160L124-Q157 HydrophobicContact CD1-CG 3.79Å; S153-Q157 WeakPolarHBondContact O-CG 3.36Å; S153-Q157 PolarHBondContact O-N 2.56Å; A154-Q157 PolarHBondContact O-N 2.89Å; Q157-S159 VanDerWaalsContact C-N 3.3Å; Q157-S159 PolarHBondContact O-N 3Å; Q157-G160 WeakPolarHBondContact O-CA 3.48Å; Q157-G160 PolarHBondContact O-N 2.77Å
158S84.8Confident87.2Confident104 Ų10449.3 Ų49.373%0.72729%0.288SS*.Hα-helixtrans-64.7-27-178.156.20000114.1A154 E155 G160A154-S158 WeakPolarHBondContact O-CB 3.25Å; A154-S158 PolarHBondContact O-N 2.84Å; A154-S158 PolarHBondContact O-OG 2.89Å; E155-S158 WeakPolarHBondContact CA-OG 3.4Å; E155-S158 PolarHBondContact O-OG 3.38Å; S158-G160 PolarHBondContact O-N 3.1Å
159S82.6Confident87.2Confident50 Ų5047.1 Ų47.135%0.3528%0.279SS..THydrogen-bonded Turntrans-73.11169.160.70000113.9E155 M156 Q157 M161 K162E155-S159 WeakPolarHBondContact O-CB 3.23Å; E155-S159 PolarHBondContact O-N 3.28Å; E155-S159 PolarHBondContact O-OG 3.49Å; M156-S159 PolarHBondContact O-OG 2.87Å; Q157-S159 VanDerWaalsContact C-N 3.3Å; Q157-S159 PolarHBondContact O-N 3Å; S159-M161 VanDerWaalsContact C-N 3.33Å; S159-M161 PolarHBondContact O-N 3.18Å; S159-K162 WeakPolarHBondContact O-CB 3.45Å; S159-K162 PolarHBondContact O-N 3.49Å
160G81.8Confident87.2Confident46 Ų4647.1 Ų47.147%0.47428%0.279SS..THydrogen-bonded Turntrans62.939.3-177.300000112.1Q157 S158 K162Q157-G160 WeakPolarHBondContact O-CA 3.48Å; Q157-G160 PolarHBondContact O-N 2.77Å; S158-G160 PolarHBondContact O-N 3.1Å; G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 3.16Å
161M83.1Confident87.3Confident34 Ų3445.6 Ų45.617%0.16727%0.266CS..SBendtrans54.639.5-175.9-62.6-66.8-82.300113.7L114 P115 V117 M119 L124 M156 S159L114-M161 CarbonylContact C-O 3.55Å; L114-M161 HydrophobicContact CB-CB 4.17Å; L114-M161 HydrophobicContact CB-CE 4.5Å; L114-M161 WeakPolarHBondContact CB-O 3.3Å; L114-M161 HydrophobicContact CB-SD 4.49Å; L114-M161 HydrophobicContact CD2-CE 4.36Å; L114-M161 HydrophobicContact CD2-SD 4.28Å; P115-M161 WeakPolarHBondContact CD-O 3.34Å; P115-M161 VanDerWaalsContact CG-O 3.3Å; P115-M161 WeakPolarHBondContact CG-O 3.34Å; V117-M161 HydrophobicContact CB-CE 3.75Å; V117-M161 HydrophobicContact CG1-CE 4.06Å; V117-M161 HydrophobicContact CG2-CE 4.45Å; M119-M161 HydrophobicContact SD-CE 3.72Å; M119-M161 HydrophobicContact SD-SD 4.21Å; L124-M161 HydrophobicContact CD1-CE 4.33Å; L124-M161 HydrophobicContact CD1-SD 3.94Å; L124-M161 HydrophobicContact CD2-CE 4.45Å; M156-M161 HydrophobicContact CB-SD 4.44Å; M156-M161 WeakPolarHBondContact O-CA 3.46Å; M156-M161 PolarHBondContact O-N 2.92Å; M156-M161 VanDerWaalsContact O-N 3.12Å; S159-M161 VanDerWaalsContact C-N 3.33Å; S159-M161 PolarHBondContact O-N 3.18Å
162K84Confident87.4Confident160 Ų16046.4 Ų46.470%0.69627%0.266SS*.  trans-115.5115.3179.3-69.1162.3-170.6163.80112S159 G160S159-K162 WeakPolarHBondContact O-CB 3.45Å; S159-K162 PolarHBondContact O-N 3.49Å; G160-K162 VanDerWaalsContact C-N 3.31Å; G160-K162 PolarHBondContact O-N 3.16Å
163G87.3Confident87.2Confident31 Ų3150.4 Ų50.432%0.3228%0.283SS..SBendtrans135.6-156.6175.700000112.8M113 L114M113-G163 CarbonylContact C-O 3.58Å; M113-G163 WeakPolarHBondContact CA-O 3.4Å; M113-G163 WeakPolarHBondContact CE-O 3.43Å; L114-G163 PolarHBondContact N-O 2.84Å
164R88Confident87.4Confident148 Ų14850.3 Ų50.356%0.55828%0.282SS*.EExtended strand (participates in β ladder)trans-92.2125.3173-72-176.5-67.7164.41.2109.3D111 M113 A150D111-R164 HydrophobicContact CB-CG 4.35Å; D111-R164 VanDerWaalsContact OD2-CD 3.23Å; D111-R164 WeakPolarHBondContact OD2-CD 3.34Å; D111-R164 IonicContact OD2-NH1 3.45Å; D111-R164 PolarHBondContact OD2-NH1 3.39Å; M113-R164 HydrophobicContact CE-CG 4.29Å; M113-R164 HydrophobicContact SD-CB 4.46Å; M113-R164 HydrophobicContact SD-CG 3.52Å; M113-R164 VanDerWaalsContact SD-CG 3.52Å; A150-R164 HydrophobicContact CB-CB 4.39Å
165G87.1Confident87.6Confident1 Ų152.3 Ų52.31%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-92.6-51.8175.900000112.2L112 L114 A150L112-G165 PolarHBondContact O-N 3.28Å; L114-G165 VanDerWaalsContact CD2-CA 3.41Å; A150-G165 WeakPolarHBondContact CB-O 3.04Å; A150-G165 PolarHBondContact N-O 2.91Å
166V90.9Very high87.7Confident1 Ų148.3 Ų48.31%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-128.7126.1-177.5178.90000110.9F96 L112 C133 V135F96-V166 HydrophobicContact CD2-CG2 3.6Å; F96-V166 HydrophobicContact CE2-CG2 3.75Å; F96-V166 HydrophobicContact CG-CG2 4.35Å; L112-V166 HydrophobicContact CB-CB 4.09Å; L112-V166 HydrophobicContact CD2-CB 4.4Å; L112-V166 HydrophobicContact CD2-CG2 4.4Å; L112-V166 PolarHBondContact N-O 3.45Å; L112-V166 PolarHBondContact O-N 3.12Å; C133-V166 VanDerWaalsContact SG-CG1 3.51Å; V135-V166 HydrophobicContact CG2-CG1 4.49Å
167C92.1Very high87.8Confident46 Ų4649.6 Ų49.631%0.31126%0.263SS..EExtended strand (participates in β ladder)trans-80120.9170.2-176.20000109.9D111 G147 K148D111-C167 VanDerWaalsContact OD1-CA 3.28Å; D111-C167 WeakPolarHBondContact OD1-CA 3.25Å; D111-C167 PolarHBondContact OD1-SG 2.93Å; D111-C167 VanDerWaalsContact OD1-SG 3.38Å; G147-C167 CarbonylContact C-O 3.55Å; G147-C167 WeakPolarHBondContact CA-O 3.39Å; K148-C167 PolarHBondContact N-O 3Å; K148-C167 PolarHBondContact O-N 3.21Å
168V93.1Very high87.9Confident10 Ų1046.5 Ų46.56%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-92115.3-167.3176.60000112.2M1 L106 D111 A145M1-V168 PolarHBondContact N-O 3.32Å; L106-V168 HydrophobicContact CD2-CG2 4.28Å; D111-V168 PolarHBondContact OD1-N 3.37Å; A145-V168 HydrophobicContact CB-CG1 4.06Å
169L91.1Very high87.9Confident24 Ų2445.2 Ų45.213%0.12624%0.237CC..EExtended strand (participates in β ladder)trans-91.1-46.9-177.3-60.5-179.9000111.1M1 F2 F73 Y80 V146 K148M1-L169 WeakPolarHBondContact CA-O 3.32Å; M1-L169 WeakPolarHBondContact CB-O 3.5Å; M1-L169 PolarHBondContact N-O 3.25Å; F2-L169 WeakPolarHBondContact CD2-O 3.47Å; F2-L169 PolarHBondContact N-O 3.27Å; F73-L169 HydrophobicContact CE2-CB 4.05Å; F73-L169 HydrophobicContact CE2-CD1 4.44Å; F73-L169 HydrophobicContact CZ-CB 3.95Å; Y80-L169 HydrophobicContact CD1-CD1 3.69Å; Y80-L169 HydrophobicContact CD2-CD1 4.13Å; Y80-L169 HydrophobicContact CE1-CD1 3.42Å; Y80-L169 VanDerWaalsContact CE1-CD1 3.42Å; Y80-L169 HydrophobicContact CE2-CD1 3.89Å; Y80-L169 HydrophobicContact CG-CD1 4.05Å; V146-L169 PolarHBondContact O-N 3.25Å; K148-L169 HydrophobicContact CB-CD1 4.44Å
170H92.6Very high87.9Confident1 Ų143.2 Ų43.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-139.2147.6-176.4170.448000110.2F2 F73 V83 A145 V146 D174F2-H170 HydrophobicContact CD2-CB 4.07Å; F2-H170 HydrophobicContact CE2-CB 4.19Å; F73-H170 HydrophobicContact CE1-CB 3.83Å; F73-H170 HydrophobicContact CZ-CB 3.76Å; V83-H170 PolarHBondContact N-CD2 3.49Å; V83-H170 PolarHBondContact N-NE2 2.86Å; V83-H170 VanDerWaalsContact N-NE2 3.14Å; A145-H170 CarbonylContact C-O 3.31Å; A145-H170 VanDerWaalsContact CA-O 3.28Å; A145-H170 WeakPolarHBondContact CA-O 3.4Å; A145-H170 WeakPolarHBondContact CB-O 3.49Å; V146-H170 HydrophobicContact CB-CB 4.42Å; V146-H170 PolarHBondContact N-O 3.23Å; V146-H170 PolarHBondContact O-N 2.85Å; H170-D174 VanDerWaalsContact CA-OD2 3.3Å; H170-D174 WeakPolarHBondContact CA-OD2 3.13Å; H170-D174 IonicContact CE1-OD1 3.76Å; H170-D174 PolarHBondContact CE1-OD1 3.33Å; H170-D174 IonicContact CE1-OD2 3.34Å; H170-D174 IonicContact CG-OD2 3.82Å; H170-D174 VanDerWaalsContact ND1-CG 3.3Å; H170-D174 IonicContact ND1-OD1 3.9Å; H170-D174 PolarHBondContact ND1-OD1 3.39Å; H170-D174 VanDerWaalsContact ND1-OD1 3.09Å; H170-D174 IonicContact ND1-OD2 2.73Å; H170-D174 PolarHBondContact ND1-OD2 3.06Å
171T92Very high87.7Confident4 Ų445.3 Ų45.33%0.02522%0.224CC..EExtended strand (participates in β ladder)trans-149.7154.8179-173.10000111.9V144 D174V144-T171 WeakPolarHBondContact O-CA 3.31Å; V144-T171 PolarHBondContact O-OG1 3.3Å; T171-D174 HydrophobicContact CG2-CB 3.87Å; T171-D174 PolarHBondContact N-OD2 3.28Å; T171-D174 VanDerWaalsContact O-CB 3.28Å; T171-D174 WeakPolarHBondContact O-CB 3.44Å; T171-D174 PolarHBondContact O-N 3.35Å; T171-D174 VanDerWaalsContact O-N 3.09Å
172Y88.9Confident87.7Confident33 Ų3349.7 Ų49.713%0.12924%0.242CC..THydrogen-bonded Turntrans-48.8141.4167.7175-122.8000111W87 V144 D174 W177 N184 P185W87-Y172 AromaticContact CH2-CD2 3.97Å; W87-Y172 HydrophobicContact CH2-CD2 3.97Å; W87-Y172 HydrophobicContact CH2-CE2 4.34Å; W87-Y172 HydrophobicContact CZ2-CD2 4.09Å; V144-Y172 PolarHBondContact O-N 3.05Å; Y172-D174 PolarHBondContact O-N 3.14Å; Y172-W177 AromaticContact CD2-CD1 3.91Å; Y172-W177 HydrophobicContact CD2-CD2 4.24Å; Y172-W177 AromaticContact CD2-CE2 3.75Å; Y172-W177 HydrophobicContact CD2-CG 4.32Å; Y172-W177 HydrophobicContact CD2-CZ2 4.21Å; Y172-W177 AromaticContact CD2-NE1 3.56Å; Y172-W177 HydrophobicContact CE2-CD2 4.38Å; Y172-W177 AromaticContact CE2-CE2 3.57Å; Y172-W177 HydrophobicContact CE2-CH2 4.34Å; Y172-W177 AromaticContact CE2-CZ2 3.54Å; Y172-W177 HydrophobicContact CE2-CZ2 3.54Å; Y172-W177 AromaticContact CE2-NE1 3.68Å; Y172-N184 PolarHBondContact OH-OD1 3.08Å; Y172-N184 VanDerWaalsContact OH-OD1 3.1Å; Y172-P185 HydrophobicContact CE1-CG 4.41Å; Y172-P185 VanDerWaalsContact CE2-CD 3.42Å; Y172-P185 HydrophobicContact CE2-CG 4.46Å
173M85.9Confident87.3Confident105 Ų10544.8 Ų44.852%0.51723%0.228SC..THydrogen-bonded Turntrans63.86.6-172.9-44.8-166.482.300117I107I107-M173 HydrophobicContact CD1-CB 4.46Å; I107-M173 HydrophobicContact CD1-CG 4.38Å; I107-M173 HydrophobicContact CD1-SD 4.24Å; I107-M173 HydrophobicContact CG2-CB 4.28Å
174D89.9Confident86.7Confident5 Ų548.7 Ų48.73%0.02724%0.242CC..SBendtrans-77.5175170.684.412.9000113.2F2 H170 T171 Y172 L176 W177 A178F2-D174 HydrophobicContact CB-CB 4.44Å; H170-D174 VanDerWaalsContact CA-OD2 3.3Å; H170-D174 WeakPolarHBondContact CA-OD2 3.13Å; H170-D174 IonicContact CE1-OD1 3.76Å; H170-D174 PolarHBondContact CE1-OD1 3.33Å; H170-D174 IonicContact CE1-OD2 3.34Å; H170-D174 IonicContact CG-OD2 3.82Å; H170-D174 VanDerWaalsContact ND1-CG 3.3Å; H170-D174 IonicContact ND1-OD1 3.9Å; H170-D174 PolarHBondContact ND1-OD1 3.39Å; H170-D174 VanDerWaalsContact ND1-OD1 3.09Å; H170-D174 IonicContact ND1-OD2 2.73Å; H170-D174 PolarHBondContact ND1-OD2 3.06Å; T171-D174 HydrophobicContact CG2-CB 3.87Å; T171-D174 PolarHBondContact N-OD2 3.28Å; T171-D174 VanDerWaalsContact O-CB 3.28Å; T171-D174 WeakPolarHBondContact O-CB 3.44Å; T171-D174 PolarHBondContact O-N 3.35Å; T171-D174 VanDerWaalsContact O-N 3.09Å; Y172-D174 PolarHBondContact O-N 3.14Å; D174-L176 PolarHBondContact O-N 2.89Å; D174-L176 WeakPolarHBondContact OD1-CA 3.42Å; D174-L176 WeakPolarHBondContact OD1-CB 3.41Å; D174-L176 PolarHBondContact OD1-N 3.34Å; D174-W177 PolarHBondContact O-N 3.36Å; D174-W177 PolarHBondContact OD1-N 3.4Å; D174-A178 WeakPolarHBondContact O-CB 3.16Å; D174-A178 PolarHBondContact O-N 3.45Å
175Y87.7Confident86.1Confident108 Ų10843 Ų4342%0.42422%0.224SC..THydrogen-bonded Turntrans-70.4-14.2-177.2-75-91.7000114.3F2 P5 F6 F179F2-Y175 WeakPolarHBondContact O-CB 3.32Å; F2-Y175 WeakPolarHBondContact O-CD2 3.41Å; F2-Y175 PolarHBondContact O-N 2.78Å; P5-Y175 HydrophobicContact CB-CD1 3.93Å; P5-Y175 HydrophobicContact CB-CE1 3.77Å; P5-Y175 HydrophobicContact CB-CG 4.5Å; P5-Y175 HydrophobicContact CG-CE1 4.3Å; F6-Y175 VanDerWaalsContact CE1-O 3.28Å; F6-Y175 WeakPolarHBondContact CE1-O 3.34Å; Y175-F179 PolarHBondContact O-N 3.22Å
176L88Confident85.5Confident0 Ų045.3 Ų45.30%024%0.238CC..THydrogen-bonded Turntrans-86.8-36.9172.9178.360.8000110.9F2 F6 L63 P70 F73 T82 D174 F179F2-L176 HydrophobicContact CB-CB 3.96Å; F2-L176 HydrophobicContact CD1-CB 4.4Å; F2-L176 HydrophobicContact CD2-CB 3.72Å; F2-L176 HydrophobicContact CD2-CD2 3.65Å; F2-L176 HydrophobicContact CD2-CG 4.34Å; F2-L176 HydrophobicContact CE2-CB 4.38Å; F2-L176 HydrophobicContact CE2-CD2 3.46Å; F2-L176 VanDerWaalsContact CE2-CD2 3.46Å; F2-L176 HydrophobicContact CG-CB 3.75Å; F2-L176 HydrophobicContact CG-CD2 4.34Å; F2-L176 HydrophobicContact CZ-CD2 4Å; F6-L176 HydrophobicContact CE1-CB 4.22Å; F6-L176 HydrophobicContact CZ-CD1 4.48Å; L63-L176 HydrophobicContact CD1-CD1 3.61Å; L63-L176 HydrophobicContact CD2-CD1 3.76Å; L63-L176 HydrophobicContact CD2-CD2 4.26Å; L63-L176 HydrophobicContact CG-CD1 4.32Å; P70-L176 HydrophobicContact CB-CD1 3.84Å; P70-L176 HydrophobicContact CG-CD1 3.9Å; P70-L176 HydrophobicContact CG-CG 4.37Å; F73-L176 HydrophobicContact CB-CD2 4.45Å; F73-L176 HydrophobicContact CD1-CD2 3.92Å; F73-L176 HydrophobicContact CE1-CD2 4.38Å; F73-L176 HydrophobicContact CG-CD2 4.22Å; T82-L176 HydrophobicContact CG2-CD2 4.11Å; T82-L176 HydrophobicContact CG2-CG 4.47Å; D174-L176 PolarHBondContact O-N 2.89Å; D174-L176 WeakPolarHBondContact OD1-CA 3.42Å; D174-L176 WeakPolarHBondContact OD1-CB 3.41Å; D174-L176 PolarHBondContact OD1-N 3.34Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.2Å
177W88.9Confident83.9Confident26 Ų2650.5 Ų50.510%0.09828%0.275CS..G310 helixtrans-60.7-48.5166.1173.987.3000110.1Y84 W87 Y172 D174 F179 G180 K182 S183Y84-W177 AromaticContact CE1-CD1 3.8Å; Y84-W177 AromaticContact CE1-NE1 3.81Å; Y84-W177 AromaticContact CZ-CD1 3.42Å; Y84-W177 VanDerWaalsContact CZ-CD1 3.42Å; Y84-W177 AromaticContact CZ-NE1 3.72Å; Y84-W177 PolarHBondContact OH-NE1 2.63Å; Y84-W177 PolarHBondContact OH-O 3Å; W87-W177 AromaticContact CH2-CD1 3.94Å; W87-W177 AromaticContact CH2-NE1 3.59Å; Y172-W177 AromaticContact CD2-CD1 3.91Å; Y172-W177 HydrophobicContact CD2-CD2 4.24Å; Y172-W177 AromaticContact CD2-CE2 3.75Å; Y172-W177 HydrophobicContact CD2-CG 4.32Å; Y172-W177 HydrophobicContact CD2-CZ2 4.21Å; Y172-W177 AromaticContact CD2-NE1 3.56Å; Y172-W177 HydrophobicContact CE2-CD2 4.38Å; Y172-W177 AromaticContact CE2-CE2 3.57Å; Y172-W177 HydrophobicContact CE2-CH2 4.34Å; Y172-W177 AromaticContact CE2-CZ2 3.54Å; Y172-W177 HydrophobicContact CE2-CZ2 3.54Å; Y172-W177 AromaticContact CE2-NE1 3.68Å; D174-W177 PolarHBondContact O-N 3.36Å; D174-W177 PolarHBondContact OD1-N 3.4Å; W177-F179 PolarHBondContact O-N 2.94Å; W177-G180 PolarHBondContact O-N 3.2Å; W177-K182 HydrophobicContact CH2-CB 3.81Å; W177-K182 HydrophobicContact CH2-CG 4.3Å; W177-K182 HydrophobicContact CZ2-CB 4.01Å; W177-K182 WeakPolarHBondContact CZ2-O 3.39Å; W177-K182 HydrophobicContact CZ3-CB 4.24Å; W177-K182 HydrophobicContact CZ3-CG 4.23Å; W177-S183 WeakPolarHBondContact CZ2-O 3.5Å; W177-S183 PolarHBondContact NE1-O 3.03Å
178A85.7Confident82.4Confident40 Ų4052.4 Ų52.433%0.33128%0.282SS..G310 helixtrans-66.8-6.8-179.600000115.1D174 K182D174-A178 WeakPolarHBondContact O-CB 3.16Å; D174-A178 PolarHBondContact O-N 3.45Å; A178-K182 WeakPolarHBondContact O-CE 3.43Å
179F84.4Confident80.4Confident77 Ų7756.7 Ų56.734%0.33831%0.31SS..G310 helixtrans-87.7-23.8173.3179.6-89.5000112.8F6 V8 V65 P70 Y175 L176 W177F6-F179 HydrophobicContact CE2-CD2 4.26Å; F6-F179 HydrophobicContact CZ-CB 4.14Å; F6-F179 HydrophobicContact CZ-CD2 4.19Å; F6-F179 HydrophobicContact CZ-CG 4.25Å; V8-F179 HydrophobicContact CG2-CE2 4.49Å; V65-F179 HydrophobicContact CG1-CE1 4.42Å; V65-F179 HydrophobicContact CG2-CE1 4.04Å; P70-F179 HydrophobicContact CG-CD1 4.39Å; Y175-F179 PolarHBondContact O-N 3.22Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.2Å; W177-F179 PolarHBondContact O-N 2.94Å
180G83.3Confident78.6Confident7 Ų757.2 Ų57.27%0.07231%0.312CS..THydrogen-bonded Turntrans-88.2-158.7171.200000112.8W177 K182W177-G180 PolarHBondContact O-N 3.2Å; G180-K182 PolarHBondContact O-N 3.06Å
181D77.8Confident76.4Confident91 Ų9165.8 Ų65.849%0.48735%0.353SS..THydrogen-bonded Turntrans-71.50-172.1-67.9-6.9000115.1N69 S183N69-D181 PolarHBondContact ND2-OD2 3.08Å; N69-D181 VanDerWaalsContact OD1-CG 3.29Å; N69-D181 PolarHBondContact OD1-N 3.21Å; N69-D181 VanDerWaalsContact OD1-N 3.16Å; N69-D181 PolarHBondContact OD1-OD2 3.43Å; D181-S183 PolarHBondContact O-N 2.83Å
182K82.4Confident74.3Confident126 Ų12671 Ų7155%0.54838%0.38SS..  trans58.125.6179.7-58.4156.6-165.3162.60114Y84 W177 A178 G180Y84-K182 WeakPolarHBondContact OH-CA 3.5Å; Y84-K182 PolarHBondContact OH-N 3.22Å; W177-K182 HydrophobicContact CH2-CB 3.81Å; W177-K182 HydrophobicContact CH2-CG 4.3Å; W177-K182 HydrophobicContact CZ2-CB 4.01Å; W177-K182 WeakPolarHBondContact CZ2-O 3.39Å; W177-K182 HydrophobicContact CZ3-CB 4.24Å; W177-K182 HydrophobicContact CZ3-CG 4.23Å; A178-K182 WeakPolarHBondContact O-CE 3.43Å; G180-K182 PolarHBondContact O-N 3.06Å
183S76.7Confident71.8Confident56 Ų5673 Ų7339%0.39239%0.393SS..PPolyproline II helixtrans-59141.7172.3-370000111W87 W177 D181W87-S183 VanDerWaalsContact CH2-O 3.28Å; W87-S183 WeakPolarHBondContact CH2-O 3.46Å; W87-S183 WeakPolarHBondContact CZ3-O 3.48Å; W177-S183 WeakPolarHBondContact CZ2-O 3.5Å; W177-S183 PolarHBondContact NE1-O 3.03Å; D181-S183 PolarHBondContact O-N 2.83Å
184N74.2Confident69.2Low114 Ų11477.9 Ų77.961%0.6142%0.415SS*.PPolyproline II helixtrans-74.6154.7171.7-64.3-43.3000110.4W87 Y172W87-N184 WeakPolarHBondContact CZ3-O 3.49Å; Y172-N184 PolarHBondContact OH-OD1 3.08Å; Y172-N184 VanDerWaalsContact OH-OD1 3.1Å
185P75.6Confident66.8Low29 Ų2983 Ų8319%0.18844%0.441CS..PPolyproline II helixtrans-59.3136.8171.524.7-34.4000110.4W87 A142 Y172 S187W87-P185 HydrophobicContact CH2-CB 4.21Å; W87-P185 HydrophobicContact CZ2-CB 3.67Å; W87-P185 HydrophobicContact CZ2-CG 4.39Å; A142-P185 HydrophobicContact CB-CB 3.82Å; Y172-P185 HydrophobicContact CE1-CG 4.41Å; Y172-P185 VanDerWaalsContact CE2-CD 3.42Å; Y172-P185 HydrophobicContact CE2-CG 4.46Å; P185-S187 PolarHBondContact O-N 2.88Å
186P75.2Confident64Low48 Ų4885.8 Ų85.831%0.31246%0.458SS..PPolyproline II helixtrans-64135.7176.326.8-33.6000110.3W87 N140 A142 L188W87-P186 HydrophobicContact CB-CG 4.16Å; W87-P186 HydrophobicContact CG-CG 4.39Å; N140-P186 PolarHBondContact OD1-O 3.24Å; A142-P186 HydrophobicContact CB-CG 4.07Å; A142-P186 WeakPolarHBondContact CB-O 3.28Å; P186-L188 VanDerWaalsContact C-N 3.33Å; P186-L188 HydrophobicContact CB-CG 4.45Å; P186-L188 PolarHBondContact O-N 2.85Å
187S57.3Low61.5Low111 Ų11193.5 Ų93.578%0.77650%0.499SS*.  trans-80.381.4175.655.50000110.1P185 P189P185-S187 PolarHBondContact O-N 2.88Å; S187-P189 WeakPolarHBondContact O-CD 3.37Å
188L58.8Low58.5Low86 Ų8697.2 Ų97.245%0.4553%0.525SS..  trans-91.5108.4170.8-66.2177.1000108.6R141 P186R141-L188 HydrophobicContact CB-CB 4Å; R141-L188 PolarHBondContact N-O 3.44Å; P186-L188 VanDerWaalsContact C-N 3.33Å; P186-L188 HydrophobicContact CB-CG 4.45Å; P186-L188 PolarHBondContact O-N 2.85Å
189P53.1Low55.7Low100 Ų100101.1 Ų101.165%0.64954%0.54SS*.  trans-64.7152.2173.729.4-34.2000110.3S187S187-P189 WeakPolarHBondContact O-CD 3.37Å
190D52.7Low53.2Low34 Ų34101.5 Ų101.518%0.18257%0.566CS.*  trans-78.8124.4167.2-78.2-63.5000108.8R97 R141 D192R97-D190 IonicContact CZ-OD2 3Å; R97-D190 IonicContact NH2-OD1 3.9Å; R97-D190 PolarHBondContact NH2-OD1 2.89Å; R97-D190 IonicContact NH2-OD2 3.61Å; R97-D190 PolarHBondContact NH2-OD2 3.41Å; R141-D190 WeakPolarHBondContact CG-OD1 3.36Å; R141-D190 IonicContact CZ-OD1 3.84Å; R141-D190 IonicContact NE-OD1 3.01Å; R141-D190 PolarHBondContact NE-OD1 3.12Å; R141-D190 IonicContact NH2-OD1 3.31Å; R141-D190 PolarHBondContact NH2-OD1 3.01Å; D190-D192 VanDerWaalsContact C-N 3.29Å
191E46.4Very low50.5Low182 Ų182108.7 Ų108.785%0.8560%0.597SS**SBendtrans-82.3-12.8167.5-65.9-173.6136.700111.8
192D47Very low48.2Very low114 Ų114114 Ų11461%0.6162%0.616SS**  trans-109.678.1-179.6-54.7-75.8000110.9R141 D190R141-D192 IonicContact CZ-OD2 2.7Å; R141-D192 IonicContact NH1-OD2 3.68Å; R141-D192 IonicContact NH2-OD2 3.58Å; R141-D192 PolarHBondContact NH2-OD2 3.43Å; D190-D192 VanDerWaalsContact C-N 3.29Å
193D37Very low45.3Very low75 Ų75114.7 Ų114.740%0.40164%0.635SS.*  trans-167.379.2161-94.6-45.8000110.1R97 I195R97-D193 IonicContact CZ-OD2 2.67Å; R97-D193 IonicContact NH1-OD1 2.68Å; R97-D193 IonicContact NH1-OD2 3.29Å; R97-D193 PolarHBondContact NH1-OD2 3.25Å; R97-D193 IonicContact NH2-OD2 2.68Å; R97-D193 PolarHBondContact NH2-OD2 2.97Å; D193-I195 HydrophobicContact CB-CD1 4.22Å; D193-I195 HydrophobicContact CB-CG1 4.15Å; D193-I195 PolarHBondContact O-N 3.28Å
194E31.7Very low42.6Very low207 Ų207121.1 Ų121.197%0.96766%0.656SS**  trans-69.575.7158.9-81.6-164.2145.300109.3E196E194-E196 PolarHBondContact O-N 3.35Å
195I39.3Very low40.2Very low113 Ų113121.8 Ų121.858%0.57966%0.664SS**  trans-77.5109.7167.6-64.1170.2000106.9D193 D197D193-I195 HydrophobicContact CB-CD1 4.22Å; D193-I195 HydrophobicContact CB-CG1 4.15Å; D193-I195 PolarHBondContact O-N 3.28Å; I195-D197 PolarHBondContact O-N 2.88Å
196E29Very low37.6Very low166 Ų166125 Ų12578%0.77669%0.687SS**  trans-62.897.1172.8-74.2-163.412100110.5E194 T198E194-E196 PolarHBondContact O-N 3.35Å; E196-T198 PolarHBondContact O-N 2.88Å
197D34.8Very low35.3Very low161 Ų161131.5 Ų131.586%0.86171%0.713SS**  trans-76.857.5174.5-135.9-9.1000110.3I195I195-D197 PolarHBondContact O-N 2.88Å
198T27Very low33.6Very low105 Ų105136.3 Ų136.364%0.64472%0.72SS**  trans-117.478.4-175.658.30000112.4E196E196-T198 PolarHBondContact O-N 2.88Å
199N26.8Very low32Very low121 Ų121139.3 Ų139.365%0.64773%0.732SS**  177.7116.497.5-171.416.9000111.5E201N199-E201 VanDerWaalsContact C-N 3.31Å; N199-E201 PolarHBondContact ND2-OE2 3Å; N199-E201 PolarHBondContact O-N 3.18Å
200G30.3Very low30.6Very low85 Ų85143.6 Ų143.688%0.87674%0.743SS**  trans-82.654.9-179.900000114.8
201E27.5Very low29.3Very low158 Ų158151.8 Ų151.874%0.73877%0.772SS**  trans-111128179.5-78.1-166.2107.200115.1N199N199-E201 VanDerWaalsContact C-N 3.31Å; N199-E201 PolarHBondContact ND2-OE2 3Å; N199-E201 PolarHBondContact O-N 3.18Å
202K29.7Very low28.3Very low204 Ų204153.4 Ų153.489%0.88777%0.77SS**  trans-78.6120167.5-75.8174175.51680110.3
203C20.8Very low27.2Very low139 Ų139153.5 Ų153.594%0.93977%0.771SS**  trans-148.8-176.4149.5-113.10000114.4
204K20.9Very low26.7Very low192 Ų192156.1 Ų156.184%0.83578%0.784SS**  trans-121.9143.1-159.2-84.8-179.5174.4178.60113.5
205V23.4Very low26.4Very low128 Ų128153 Ų15378%0.77677%0.774SS**  trans76.6150.8137.9168.50000119
206S21.4Very low25.9Very low96 Ų96154 Ų15467%0.67178%0.781SS**  trans66.2103.7163.954.50000119.9
207E25.5Very low25.9Very low184 Ų184152.6 Ų152.686%0.8678%0.779SS**  31.2119.6109.8-60.9170.6-169.600118.5
208K22Very low25.7Very low212 Ų212151.3 Ų151.392%0.92277%0.772SS**  -165.2167.2109.9-108.4172.8-177.5-175.60114.5
209E26.2Very low25.8Very low149 Ų149152.8 Ų152.870%0.69678%0.776SS**  trans-96149.6-178.9-50.7170.399.900112
210E24Very low25.9Very low191 Ų191153.3 Ų153.389%0.89378%0.779SS**  trans-178.4111.7145.3-100.8158.3-14400104.7
211R24.5Very low25.9Very low206 Ų206155.5 Ų155.578%0.77777%0.77SS**  60.2101.757.8-63.1-163.4-170.8-139.66.2113.9
212R25Very low25.9Very low216 Ų216154.2 Ų154.282%0.81577%0.768SS**  179.8135.4108.7-87.2-163.5179138.912.1109.5
213D23.9Very low25.7Very low116 Ų116151 Ų15162%0.6276%0.761SS**  65.2133.391.3-40.8-5.5000111.4
214D26.2Very low25.9Very low129 Ų129151 Ų15169%0.6975%0.751SS**  cis-170.3177.1-10.9-99.9-23.8000108.1
215D27.3Very low26.1Very low141 Ų141147.5 Ų147.575%0.75474%0.742SS**  trans64.2153.9159.3-55.1-13.3000119.5
216D28.4Very low26.1Very low134 Ų134149.6 Ų149.672%0.71774%0.741SS**  cis-169.2175.3-36-113.4-10.2000108.4
217D29.1Very low26.2Very low138 Ų138148.6 Ų148.674%0.73875%0.746SS**  trans61158.2159.2-61.4-6.9000120.3
218D29.1Very low25.9Very low133 Ų133145 Ų14571%0.71174%0.736SS**  cis-167.5175.8-46.9-125.9-7000107.4
219D30.3Very low25.9Very low137 Ų137140.8 Ų140.873%0.73373%0.732SS**  trans60.4153.4157-65.1-0.2000121.1
220D29.3Very low25.7Very low131 Ų131138 Ų13870%0.70174%0.735SS**  cis-162.6172.9-38.1-137.1-13.1000110.9
221D29.1Very low25.7Very low131 Ų131137.6 Ų137.670%0.70173%0.733SS**  trans67.5151.7145.9-81-20.5000126.9
222D27.8Very low25.6Very low131 Ų131135 Ų13570%0.70173%0.73SS**  trans82.993.1144.1-73.91000125.6
223D26.1Very low25.5Very low137 Ų137131.4 Ų131.473%0.73372%0.722SS**  81.8138103.7-103.410.3000126
224D24.9Very low25.4Very low138 Ų138133.7 Ų133.774%0.73873%0.729SS**  trans55158.7141.9-95.24.5000122.6
225D24.9Very low25.2Very low120 Ų120131.8 Ų131.864%0.64273%0.726SS**  cis-160.6167.8-13.7-175.723000109.9
226F22.7Very low25Very low172 Ų172130.3 Ų130.375%0.75473%0.727SS**  trans73.1144.2145.9-128-109.9000122.7
227G23.5Very low24.6Very low74 Ų74127.2 Ų127.276%0.76373%0.726SS**  trans162.483.6169.600000114.6
228T20.7Very low24.3Very low109 Ų109129.6 Ų129.667%0.66973%0.733SS**  trans-111.8171.7-173.9-45.90000112.5
229C21.4Very low24Very low123 Ų123128.6 Ų128.683%0.83173%0.731SS**  trans88.2149.4166.7-58.40000117
230A22.6Very low23.6Very low91 Ų91127.9 Ų127.975%0.75273%0.732SS**  cis-162.3173.8-1800000111.8
231E22.4Very low23.3Very low183 Ų183127.8 Ų127.886%0.85574%0.736SS**  trans-37.4160.9174.3-54.2175.6126.400116.7
232E22.2Very low23Very low152 Ų152127.3 Ų127.371%0.7173%0.734SS**  -167.9153.274.3-82.1-158120.400115
233Q23Very low22.9Very low140 Ų140129.1 Ų129.165%0.65474%0.738SS**  trans42.8145.6136.7-55-170.549.300120.7
234Q22.8Very low22.8Very low164 Ų164126.3 Ų126.377%0.76673%0.734SS**  cis-167-179.27.4-127.1-169.990.400107.4
235S21.8Very low22.7Very low89 Ų89125 Ų12562%0.62274%0.735SS**  cis-161.6-151.12.159.90000112.1
236S22.1Very low22.5Very low110 Ų110124.9 Ų124.977%0.76974%0.744SS**  trans-34.1155.9170.850.90000120.9
237G22Very low22.5Very low68 Ų68120 Ų12070%0.70174%0.742SS**  cis145.8144-600000115.5
238E22.8Very low22.4Very low188 Ų188125.2 Ų125.288%0.87974%0.744SS**  trans64.8153.2163-67.6-166.8112.800118.9
239T21.4Very low22.6Very low112 Ų112127.4 Ų127.469%0.68775%0.747SS**  cis-153.7161.7011.10000112.6
240V22.3Very low22.6Very low123 Ų123129.8 Ų129.875%0.74575%0.746SS**  trans-22.2148.5157.7-132.90000115.5
241T23.7Very low22.7Very low128 Ų128132 Ų13279%0.78574%0.744SS**  cis-154.3147.442.9480000111.7
242D21.7Very low22.7Very low122 Ų122131.1 Ų131.165%0.65275%0.745SS**  cis95.7130.143-16541.1000114.8
243Q25.4Very low22.8Very low168 Ų168130.8 Ų130.879%0.78575%0.748SS**  trans62.3158.8174.3-67.616764.400119.8
244A23.7Very low22.9Very low79 Ų79131 Ų13165%0.65376%0.759SS**  cis-170.1151.6-32.800000112.9
245S23.2Very low23.1Very low110 Ų110131.8 Ų131.877%0.76976%0.763SS**  trans71.9149.3154.673.30000122.3
246S22.1Very low23.1Very low117 Ų117133.5 Ų133.582%0.81877%0.77SS**  trans6.1145.6157.853.60000121.8
247G21.3Very low23.1Very low70 Ų70136.7 Ų136.772%0.72277%0.773SS**  cis142.1165.80.800000113.3
248F22.9Very low23.2Very low183 Ų183142.1 Ų142.180%0.80378%0.78SS**  trans76.8124.3176.6-141.1-107.8000116.9
249E23.8Very low23.2Very low156 Ų156138.2 Ų138.273%0.72977%0.765SS**  trans57162.5164.5-70.3173.1164.600117.4
250E22.5Very low23.4Very low172 Ų172141 Ų14180%0.80477%0.767SS**  cis-140.4-176.8-4.1-143.3-170.7156.900110.6
251L24.6Very low23.5Very low138 Ų138141.4 Ų141.472%0.72377%0.77SS**  trans-79.7140.3174.4-72.1151.2000111.9
252N22.5Very low23.6Very low164 Ų164144 Ų14488%0.87777%0.773SS**  trans-157.5157.4147.5-102.8-53.8000112.4
253L24.2Very low23.8Very low145 Ų145144 Ų14476%0.75978%0.783SS**  trans-117.5147.2175.5-6986.9000110.6
254T23.6Very low23.7Very low146 Ų146143.3 Ų143.390%0.89678%0.784SS**  trans-144.6142.6149.742.30000109.1
255E26.9Very low23.9Very low179 Ų179149.1 Ų149.184%0.83680%0.798SS**  trans-108.8139.2-179.4-61.3171.8134.900110.6
256T21.8Very low24.1Very low126 Ų126153.7 Ų153.777%0.77380%0.804SS**  trans-162.7109.1155.5190000105.7
257E23.8Very low24.2Very low177 Ų177151.8 Ų151.883%0.82780%0.803SS**  88.4155.172.5-80.2-169.3155.100113.1
258E23.5Very low24.5Very low182 Ų182157.6 Ų157.685%0.8581%0.811SS**  trans70.2139.6172.4-70.4-175.2-17500118.7
259D22.2Very low24.7Very low106 Ų106157.4 Ų157.457%0.56781%0.813SS**  cis-164.8143.8-19.4-156.520.1000113.6
260K25.6Very low24.9Very low169 Ų169158 Ų15874%0.73582%0.821SS**  trans52.2175.2156-74.9168.7-163.875.50118
261V24.4Very low25.3Very low133 Ų133159.3 Ų159.381%0.80683%0.827SS**  cis-138.4144.318.1175.30000111.2
262E26.6Very low25.7Very low183 Ų183160.2 Ų160.286%0.85583%0.832SS**  trans-91.1148.4167.5-57.3176120.400112.3
263S24.5Very low26.4Very low121 Ų121160.1 Ų160.185%0.84683%0.827SS**  -164.1148.2126.7-0.50000112.7
264N24.5Very low27Very low153 Ų153162.3 Ų162.382%0.81883%0.833SS**  trans-75.7157.9-178.7-62.6-75.9000114
265E26.9Very low28.3Very low201 Ų201161.5 Ų161.594%0.93982%0.817SS**  -143.4167.5123.7-123.3171.2-148.700110.9
266K27.7Very low30.1Very low207 Ų207156.1 Ų156.190%0.980%0.797SS**  trans-109.5144.4-162.9-69.3-175.6174.5-171.90114.6
267G24.8Very low32.1Very low77 Ų77154.8 Ų154.879%0.79479%0.79SS**  trans-161.2144.516100000109.6
268E27.8Very low34.2Very low192 Ų192151.3 Ų151.390%0.89777%0.774SS**  trans-109.5166.2-169.6-68.4177.7125.200113.5
269E27Very low36.6Very low178 Ų178147.6 Ų147.683%0.83276%0.756SS**  trans68.484.7166.1-63.8-177.8-174.900119.2
270N28.1Very low38.9Very low168 Ų168147.8 Ų147.890%0.89875%0.754SS**  -162.5143.4104-99.1-67.9000110.8D272N270-D272 PolarHBondContact O-N 2.82Å
271Q30.1Very low41.2Very low200 Ų200142.2 Ų142.294%0.93573%0.731SS**  trans-99.187.6-174-72.4-176.5-9.200112.4
272D32.4Very low43.7Very low157 Ų157136.9 Ų136.984%0.8470%0.698SS**  trans-102.7123.6151.6-105.2-44000108.4N270 Q274N270-D272 PolarHBondContact O-N 2.82Å; D272-Q274 PolarHBondContact O-N 2.91Å
273E37.7Very low46Very low162 Ų162130.9 Ų130.976%0.75768%0.68SS**  trans-72.596.4178.2-70.7-174.3153.100110.4K275E273-K275 VanDerWaalsContact C-N 3.26Å; E273-K275 PolarHBondContact O-N 3.21Å
274Q37.9Very low48.4Very low191 Ų191126.3 Ų126.389%0.89365%0.646SS**  trans-64.986.2166.4-73.5-169.7-16.300110.3D272D272-Q274 PolarHBondContact O-N 2.91Å
275K50.4Low50.9Low129 Ų129119.1 Ų119.156%0.56161%0.607SS**  trans-59.1137174.3-72.1169.8-175.3165.90109.9E273 E280E273-K275 VanDerWaalsContact C-N 3.26Å; E273-K275 PolarHBondContact O-N 3.21Å; K275-E280 HydrophobicContact CB-CG 4.37Å
276T64.1Low53.1Low66 Ų66111.4 Ų111.441%0.40557%0.572SS.*  trans-67.6150.5176.966.10000109.9Q278 E279 E280T276-Q278 PolarHBondContact O-N 3.32Å; T276-E279 VanDerWaalsContact CB-OE2 3.31Å; T276-E279 WeakPolarHBondContact CB-OE2 3.46Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.26Å; T276-E279 PolarHBondContact N-OE2 2.86Å; T276-E279 PolarHBondContact O-N 2.75Å; T276-E279 VanDerWaalsContact OG1-CD 3.31Å; T276-E279 WeakPolarHBondContact OG1-CG 3.35Å; T276-E279 PolarHBondContact OG1-N 2.71Å; T276-E279 PolarHBondContact OG1-OE2 2.89Å; T276-E280 PolarHBondContact O-N 2.84Å; T276-E280 VanDerWaalsContact O-N 3.13Å
277P65.1Low55.3Low98 Ų98104.9 Ų104.964%0.63655%0.545SS*.Hα-helixtrans-63.5-8.5177.425.1-34.9000113.7M281P277-M281 WeakPolarHBondContact O-CG 3.49Å
278Q67.8Low57.5Low105 Ų105101.3 Ų101.349%0.49151%0.508SS..Hα-helixtrans-82.3-41.4170.1-63.1-178.224.300111.3T276 M281 D282T276-Q278 PolarHBondContact O-N 3.32Å; Q278-M281 PolarHBondContact O-N 2.83Å; Q278-D282 WeakPolarHBondContact O-CB 3.5Å; Q278-D282 PolarHBondContact O-N 3.08Å
279E72.1Confident59.8Low103 Ų10392.1 Ų92.148%0.48147%0.465SS..Hα-helixtrans-67.8-34.8176.4-69.7160.9128.600112T276 D282 A283T276-E279 VanDerWaalsContact CB-OE2 3.31Å; T276-E279 WeakPolarHBondContact CB-OE2 3.46Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.26Å; T276-E279 PolarHBondContact N-OE2 2.86Å; T276-E279 PolarHBondContact O-N 2.75Å; T276-E279 VanDerWaalsContact OG1-CD 3.31Å; T276-E279 WeakPolarHBondContact OG1-CG 3.35Å; T276-E279 PolarHBondContact OG1-N 2.71Å; T276-E279 PolarHBondContact OG1-OE2 2.89Å; E279-D282 PolarHBondContact O-N 3.21Å; E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.29Å; E279-A283 PolarHBondContact O-N 2.94Å
280E70.9Confident61.8Low110 Ų11084.1 Ų84.151%0.51443%0.428SS..Hα-helixtrans-62.4-42.5170.6-64.1-161.7142.300112.1K275 T276 A283 L284K275-E280 HydrophobicContact CB-CG 4.37Å; T276-E280 PolarHBondContact O-N 2.84Å; T276-E280 VanDerWaalsContact O-N 3.13Å; E280-A283 PolarHBondContact O-N 3.07Å; E280-L284 WeakPolarHBondContact O-CB 3.24Å; E280-L284 VanDerWaalsContact O-CG 3.28Å; E280-L284 WeakPolarHBondContact O-CG 3.35Å; E280-L284 PolarHBondContact O-N 3.12Å
281M74.4Confident63.8Low52 Ų5277 Ų7726%0.25639%0.389SS..Hα-helixtrans-69.4-36.7177.6-72.5-73167.300112.1P277 Q278 L285 K328P277-M281 WeakPolarHBondContact O-CG 3.49Å; Q278-M281 PolarHBondContact O-N 2.83Å; M281-L285 VanDerWaalsContact O-CB 3.23Å; M281-L285 WeakPolarHBondContact O-CB 3.29Å; M281-L285 PolarHBondContact O-N 3.04Å; M281-K328 HydrophobicContact CG-CB 4.36Å
282D77.1Confident65.8Low22 Ų2267.5 Ų67.512%0.11835%0.345CS..Hα-helixtrans-66.8-40.7173.6-73.4-7.3000111.4Q278 E279 L285 L286 S329 S330 Y331Q278-D282 WeakPolarHBondContact O-CB 3.5Å; Q278-D282 PolarHBondContact O-N 3.08Å; E279-D282 PolarHBondContact O-N 3.21Å; D282-L285 PolarHBondContact O-N 2.98Å; D282-L286 WeakPolarHBondContact O-CB 3.3Å; D282-L286 PolarHBondContact O-N 3.42Å; D282-S329 VanDerWaalsContact OD1-CA 3.24Å; D282-S329 WeakPolarHBondContact OD1-CA 3.14Å; D282-S329 WeakPolarHBondContact OD1-CB 3.4Å; D282-S330 PolarHBondContact OD1-N 2.79Å; D282-S330 WeakPolarHBondContact OD2-CB 3.34Å; D282-S330 PolarHBondContact OD2-OG 3.38Å; D282-Y331 HydrophobicContact CB-CE2 4.09Å; D282-Y331 VanDerWaalsContact CG-CE2 3.5Å; D282-Y331 WeakPolarHBondContact OD1-CE2 3.15Å
283A75.8Confident67.6Low56 Ų5660 Ų6046%0.46331%0.305SS..Hα-helixtrans-64.7-44174.800000111.9E279 E280 L286 Q287E279-A283 VanDerWaalsContact O-CB 3.27Å; E279-A283 WeakPolarHBondContact O-CB 3.29Å; E279-A283 PolarHBondContact O-N 2.94Å; E280-A283 PolarHBondContact O-N 3.07Å; A283-L286 PolarHBondContact O-N 2.69Å; A283-Q287 VanDerWaalsContact O-CB 3.31Å; A283-Q287 WeakPolarHBondContact O-CB 2.98Å; A283-Q287 PolarHBondContact O-N 2.88Å
284L73.6Confident69Low26 Ų2656.2 Ų56.214%0.13629%0.286CS..Hα-helixtrans-62.4-41.7173.4-74.7167.1000111.7E280 Q287 C288 K322E280-L284 WeakPolarHBondContact O-CB 3.24Å; E280-L284 VanDerWaalsContact O-CG 3.28Å; E280-L284 WeakPolarHBondContact O-CG 3.35Å; E280-L284 PolarHBondContact O-N 3.12Å; L284-Q287 PolarHBondContact O-N 3.06Å; L284-C288 WeakPolarHBondContact O-CB 3.21Å; L284-C288 PolarHBondContact O-N 2.7Å; L284-C288 PolarHBondContact O-SG 3Å; L284-K322 HydrophobicContact CD1-CD 3.98Å; L284-K322 HydrophobicContact CD2-CD 4.03Å
285L76.7Confident70.2Confident2 Ų250.3 Ų50.31%0.0127%0.265CS..Hα-helixtrans-62.7-43.3176.5-178.764.7000111.7M281 D282 F289 M314 L324 I326 Y331 F337M281-L285 VanDerWaalsContact O-CB 3.23Å; M281-L285 WeakPolarHBondContact O-CB 3.29Å; M281-L285 PolarHBondContact O-N 3.04Å; D282-L285 PolarHBondContact O-N 2.98Å; L285-F289 WeakPolarHBondContact O-CB 3.48Å; L285-F289 PolarHBondContact O-N 3.3Å; L285-M314 HydrophobicContact CD1-CE 3.57Å; L285-L324 HydrophobicContact CB-CD1 4.15Å; L285-L324 HydrophobicContact CD1-CD1 3.89Å; L285-L324 HydrophobicContact CD1-CD2 4.02Å; L285-L324 HydrophobicContact CD1-CG 4.19Å; L285-I326 HydrophobicContact CD1-CG1 4.32Å; L285-Y331 HydrophobicContact CD2-CD2 4.09Å; L285-Y331 HydrophobicContact CD2-CE2 4.42Å; L285-F337 HydrophobicContact CD2-CD1 4.41Å; L285-F337 HydrophobicContact CD2-CD2 3.6Å; L285-F337 HydrophobicContact CD2-CE2 3.7Å; L285-F337 HydrophobicContact CD2-CG 3.97Å; L285-F337 HydrophobicContact CD2-CZ 4.18Å; L285-F337 HydrophobicContact CG-CD2 4.18Å; L285-F337 HydrophobicContact CG-CE1 4.31Å; L285-F337 HydrophobicContact CG-CE2 3.76Å; L285-F337 HydrophobicContact CG-CZ 3.84Å
286L74.3Confident70.6Confident39 Ų3947.3 Ų47.320%0.20425%0.252CS..Hα-helixtrans-66.3-41.2175-178.459.3000112.2D282 A283 F289 L290 M341D282-L286 WeakPolarHBondContact O-CB 3.3Å; D282-L286 PolarHBondContact O-N 3.42Å; A283-L286 PolarHBondContact O-N 2.69Å; L286-F289 HydrophobicContact CD1-CD1 4.47Å; L286-F289 PolarHBondContact O-N 2.91Å; L286-L290 HydrophobicContact CD1-CD1 4.04Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.03Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 VanDerWaalsContact O-CG 3.31Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.47Å; L286-M341 HydrophobicContact CD1-CE 3.88Å; L286-M341 HydrophobicContact CD1-SD 3.68Å
287Q73.7Confident70.5Confident69 Ų6944.9 Ų44.932%0.32224%0.237SC..Hα-helixtrans-61.6-48.6176.2175.7174.3-12.600111.6A283 L284 F289 L290 H291 F373A283-Q287 VanDerWaalsContact O-CB 3.31Å; A283-Q287 WeakPolarHBondContact O-CB 2.98Å; A283-Q287 PolarHBondContact O-N 2.88Å; L284-Q287 PolarHBondContact O-N 3.06Å; Q287-F289 VanDerWaalsContact C-N 3.33Å; Q287-F289 PolarHBondContact O-N 2.73Å; Q287-L290 PolarHBondContact O-N 3.44Å; Q287-H291 WeakPolarHBondContact O-CB 3.35Å; Q287-H291 PolarHBondContact O-N 3.17Å; Q287-F373 HydrophobicContact CG-CE2 4Å; Q287-F373 HydrophobicContact CG-CZ 3.97Å
288C70.9Confident70.4Confident2 Ų246.8 Ų46.81%0.01424%0.235CC..Hα-helixtrans-66.2-36.6178.4-60.50000111.5L284 A292L284-C288 WeakPolarHBondContact O-CB 3.21Å; L284-C288 PolarHBondContact O-N 2.7Å; L284-C288 PolarHBondContact O-SG 3Å; C288-A292 WeakPolarHBondContact O-CB 3.44Å; C288-A292 PolarHBondContact O-N 3.22Å
289F74.9Confident70Confident0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-63.1-49.1174.5179.8-102.2000112.3L285 L286 Q287 A292 L293 F309 M314 F337 L338 M341 L347 I348L285-F289 WeakPolarHBondContact O-CB 3.48Å; L285-F289 PolarHBondContact O-N 3.3Å; L286-F289 HydrophobicContact CD1-CD1 4.47Å; L286-F289 PolarHBondContact O-N 2.91Å; Q287-F289 VanDerWaalsContact C-N 3.33Å; Q287-F289 PolarHBondContact O-N 2.73Å; F289-A292 PolarHBondContact O-N 2.87Å; F289-L293 HydrophobicContact CD1-CD1 3.77Å; F289-L293 HydrophobicContact CE1-CD1 3.46Å; F289-L293 VanDerWaalsContact CE1-CD1 3.46Å; F289-L293 HydrophobicContact CE2-CD1 4.33Å; F289-L293 HydrophobicContact CG-CD1 4.33Å; F289-L293 HydrophobicContact CZ-CD1 3.77Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 3.12Å; F289-F309 AromaticContact CD2-CE1 3.68Å; F289-F309 HydrophobicContact CD2-CE1 3.68Å; F289-F309 HydrophobicContact CD2-CZ 4.15Å; F289-F309 AromaticContact CE2-CE1 3.74Å; F289-F309 HydrophobicContact CE2-CE1 3.74Å; F289-F309 HydrophobicContact CE2-CZ 4.38Å; F289-M314 HydrophobicContact CB-CE 3.9Å; F289-M314 HydrophobicContact CD2-CE 4.15Å; F289-M314 HydrophobicContact CD2-SD 4.06Å; F289-F337 HydrophobicContact CB-CE1 4.4Å; F289-F337 HydrophobicContact CB-CZ 4.05Å; F289-F337 HydrophobicContact CD1-CZ 4.35Å; F289-F337 AromaticContact CD2-CE1 3.68Å; F289-F337 HydrophobicContact CD2-CE1 3.68Å; F289-F337 HydrophobicContact CD2-CZ 4.08Å; F289-F337 HydrophobicContact CE2-CE1 4.02Å; F289-F337 HydrophobicContact CG-CE1 4.03Å; F289-F337 AromaticContact CG-CZ 3.94Å; F289-F337 HydrophobicContact CG-CZ 3.94Å; F289-L338 HydrophobicContact CE2-CD2 3.91Å; F289-M341 HydrophobicContact CD1-CG 4.49Å; F289-M341 HydrophobicContact CD1-SD 4.29Å; F289-M341 HydrophobicContact CE1-CB 4.25Å; F289-M341 HydrophobicContact CE1-CG 3.94Å; F289-M341 HydrophobicContact CE1-SD 4.03Å; F289-M341 HydrophobicContact CZ-CB 4.17Å; F289-M341 HydrophobicContact CZ-CG 4.1Å; F289-L347 HydrophobicContact CE1-CD1 4.33Å; F289-I348 HydrophobicContact CZ-CD1 4.02Å; F289-I348 HydrophobicContact CZ-CG1 4.4Å; F289-I348 HydrophobicContact CZ-CG2 3.82Å
290L70.2Confident69.2Low10 Ų1049.2 Ų49.25%0.05226%0.255CS..Hα-helixtrans-66.4-39178.1-71.1172.2000112.1L286 Q287 K294 L347 L370 F373L286-L290 HydrophobicContact CD1-CD1 4.04Å; L286-L290 HydrophobicContact CD1-CG 4.12Å; L286-L290 HydrophobicContact CG-CD1 4.03Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 VanDerWaalsContact O-CG 3.31Å; L286-L290 WeakPolarHBondContact O-CG 3.48Å; L286-L290 PolarHBondContact O-N 3.47Å; Q287-L290 PolarHBondContact O-N 3.44Å; L290-K294 VanDerWaalsContact O-CB 3.24Å; L290-K294 WeakPolarHBondContact O-CB 3.28Å; L290-K294 PolarHBondContact O-N 2.89Å; L290-L347 HydrophobicContact CD2-CD1 4.09Å; L290-L347 HydrophobicContact CD2-CD2 4.37Å; L290-L370 HydrophobicContact CD2-CD2 3.73Å; L290-L370 HydrophobicContact CD2-CG 3.93Å; L290-F373 HydrophobicContact CB-CD1 4.22Å; L290-F373 HydrophobicContact CB-CD2 4.45Å; L290-F373 HydrophobicContact CB-CE1 4.35Å; L290-F373 HydrophobicContact CB-CG 4.27Å; L290-F373 HydrophobicContact CD1-CD2 4.25Å; L290-F373 HydrophobicContact CD1-CG 4.46Å
291H70.1Confident68.7Low19 Ų1947.6 Ų47.69%0.08825%0.248CC..Hα-helixtrans-62.7-50.7173.3-170.1115.9000111.1Q287 L293 K294 S295 C317 F373Q287-H291 WeakPolarHBondContact O-CB 3.35Å; Q287-H291 PolarHBondContact O-N 3.17Å; H291-L293 VanDerWaalsContact C-N 3.31Å; H291-L293 PolarHBondContact O-N 3.33Å; H291-K294 PolarHBondContact O-N 2.87Å; H291-K294 VanDerWaalsContact O-N 3.1Å; H291-S295 WeakPolarHBondContact O-CB 3.38Å; H291-S295 PolarHBondContact O-N 3.28Å; H291-C317 HydrophobicContact CB-CB 4.22Å; H291-C317 PolarHBondContact CD2-SG 3.29Å; H291-F373 HydrophobicContact CB-CE1 4.16Å; H291-F373 HydrophobicContact CB-CZ 4.41Å
292A71.7Confident68.2Low0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-58-41.3-179.200000112.5C288 F289 K296 F309 H313 M314C288-A292 WeakPolarHBondContact O-CB 3.44Å; C288-A292 PolarHBondContact O-N 3.22Å; F289-A292 PolarHBondContact O-N 2.87Å; A292-K296 PolarHBondContact O-N 2.87Å; A292-K296 VanDerWaalsContact O-N 3.07Å; A292-F309 HydrophobicContact CB-CE2 3.78Å; A292-F309 HydrophobicContact CB-CZ 3.84Å; A292-H313 HydrophobicContact CB-CB 3.96Å; A292-M314 HydrophobicContact CB-CG 4.09Å
293L69.7Low67.4Low0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-63-47.4172.7-75.6165.4000112.3F289 H291 I297 F309 I348 V363 W365 L370F289-L293 HydrophobicContact CD1-CD1 3.77Å; F289-L293 HydrophobicContact CE1-CD1 3.46Å; F289-L293 VanDerWaalsContact CE1-CD1 3.46Å; F289-L293 HydrophobicContact CE2-CD1 4.33Å; F289-L293 HydrophobicContact CG-CD1 4.33Å; F289-L293 HydrophobicContact CZ-CD1 3.77Å; F289-L293 WeakPolarHBondContact O-CG 3.34Å; F289-L293 PolarHBondContact O-N 3.12Å; H291-L293 VanDerWaalsContact C-N 3.31Å; H291-L293 PolarHBondContact O-N 3.33Å; L293-I297 HydrophobicContact CD2-CD1 3.95Å; L293-F309 HydrophobicContact CD2-CZ 4.45Å; L293-F309 HydrophobicContact CG-CZ 4.21Å; L293-I348 HydrophobicContact CD1-CG2 4.5Å; L293-V363 HydrophobicContact CD2-CG1 3.96Å; L293-V363 HydrophobicContact CD2-CG2 3.95Å; L293-W365 VanDerWaalsContact O-CH2 3.22Å; L293-W365 WeakPolarHBondContact O-CH2 3.23Å; L293-W365 VanDerWaalsContact O-CZ3 3.31Å; L293-W365 WeakPolarHBondContact O-CZ3 3.25Å; L293-L370 HydrophobicContact CB-CD2 4.32Å
294K67.5Low67.2Low82 Ų8248.1 Ų48.136%0.35725%0.247SC..Hα-helixtrans-76.3-27.7-173-168.3166.9-175.5163.10113.8L290 H291 L370 F373 I375L290-K294 VanDerWaalsContact O-CB 3.24Å; L290-K294 WeakPolarHBondContact O-CB 3.28Å; L290-K294 PolarHBondContact O-N 2.89Å; H291-K294 PolarHBondContact O-N 2.87Å; H291-K294 VanDerWaalsContact O-N 3.1Å; K294-L370 PolarHBondContact NZ-O 3.09Å; K294-F373 HydrophobicContact CD-CD1 4.33Å; K294-F373 PolarHBondContact NZ-O 3.31Å; K294-I375 HydrophobicContact CD-CG1 4.47Å
295S62.8Low67.1Low66 Ų6650 Ų5046%0.46226%0.257SS..Hα-helixtrans-102-44.1-173-175.30000113.3H291H291-S295 WeakPolarHBondContact O-CB 3.38Å; H291-S295 PolarHBondContact O-N 3.28Å
296K59Low66.6Low66 Ų6650.4 Ų50.429%0.28726%0.26SS..Hα-helixtrans-121.216-163.2-62.7-171.8177.5175.20115.9A292 H313 T316A292-K296 PolarHBondContact O-N 2.87Å; A292-K296 VanDerWaalsContact O-N 3.07Å; K296-H313 PolarHBondContact O-CE1 2.61Å; K296-H313 VanDerWaalsContact O-CE1 3.29Å; K296-H313 PolarHBondContact O-ND1 3.23Å; K296-T316 PolarHBondContact NZ-O 2.96Å
297I63.3Low66.3Low16 Ų1652 Ų528%0.08227%0.274CS..  trans-123.5129.8173.6-71.7173.1000111.5L293 L304 F309 W365L293-I297 HydrophobicContact CD2-CD1 3.95Å; I297-L304 HydrophobicContact CD1-CD1 3.74Å; I297-L304 HydrophobicContact CG1-CD1 3.84Å; I297-L304 HydrophobicContact CG2-CD1 4.35Å; I297-F309 HydrophobicContact CD1-CD2 3.6Å; I297-F309 HydrophobicContact CD1-CE2 3.35Å; I297-F309 HydrophobicContact CD1-CZ 4.25Å; I297-F309 HydrophobicContact CG1-CE2 4.34Å; I297-W365 HydrophobicContact CB-CH2 4.33Å; I297-W365 HydrophobicContact CG2-CH2 4.19Å; I297-W365 HydrophobicContact CG2-CZ2 4.1Å
298K62.4Low66.1Low138 Ų13851.2 Ų51.260%0.627%0.274SS*.  trans-102.8149168.7-61169.6-170.6155.50110.2S300 E301K298-S300 PolarHBondContact O-N 3.3Å; K298-E301 HydrophobicContact CB-CG 4.42Å; K298-E301 PolarHBondContact N-OE2 2.82Å; K298-E301 PolarHBondContact O-N 3.07Å
299K58.1Low66.1Low157 Ų15751.3 Ų51.368%0.68327%0.274SS*.THydrogen-bonded Turntrans-59-19.3179.3-67.4-174.5179.3179.40114.4E301K299-E301 VanDerWaalsContact C-N 3.34Å
300S56.1Low65.8Low102 Ų10252.5 Ų52.571%0.71328%0.28SS*.THydrogen-bonded Turntrans-79-10.4177.447.70000114.7K298K298-S300 PolarHBondContact O-N 3.3Å
301E59.6Low65.5Low76 Ų7661.1 Ų61.136%0.35531%0.312SS..SBendtrans-99.9-6-172.7-67.8154.3-177.600112.8K298 K299 L304K298-E301 HydrophobicContact CB-CG 4.42Å; K298-E301 PolarHBondContact N-OE2 2.82Å; K298-E301 PolarHBondContact O-N 3.07Å; K299-E301 VanDerWaalsContact C-N 3.34Å; E301-L304 HydrophobicContact CB-CD2 4.36Å; E301-L304 VanDerWaalsContact O-CD2 3.25Å; E301-L304 WeakPolarHBondContact O-CD2 3.23Å; E301-L304 WeakPolarHBondContact O-CG 3.44Å
302L65.8Low65.3Low40 Ų4064.5 Ų64.521%0.20933%0.331CS..PPolyproline II helixtrans-81142.1176.4-62.2172.4000110.9L304 I360 V363L302-L304 HydrophobicContact CD2-CB 4.42Å; L302-L304 HydrophobicContact CD2-CD1 4.27Å; L302-L304 HydrophobicContact CD2-CG 4.2Å; L302-I360 HydrophobicContact CD2-CG2 4.44Å; L302-V363 HydrophobicContact CD1-CG2 4.23Å; L302-V363 HydrophobicContact CD2-CG2 4.44Å
303P59.7Low64.9Low72 Ų7266 Ų6647%0.46834%0.338SS..SBendcis-82.6134.66.532.9-35.4000113.7L353 I360 V361P303-L353 HydrophobicContact CB-CD1 3.96Å; P303-L353 HydrophobicContact CG-CD1 3.95Å; P303-I360 CarbonylContact C-O 3.57Å; P303-I360 WeakPolarHBondContact CA-O 3.39Å; P303-V361 HydrophobicContact CB-CB 4.41Å; P303-V361 HydrophobicContact CB-CG1 4.39Å; P303-V361 HydrophobicContact CB-CG2 4.13Å
304L71Confident64.7Low28 Ų2866.1 Ų66.115%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-98.8142.3178.9-75.1175.1000112I297 E301 L302 S359 I360I297-L304 HydrophobicContact CD1-CD1 3.74Å; I297-L304 HydrophobicContact CG1-CD1 3.84Å; I297-L304 HydrophobicContact CG2-CD1 4.35Å; E301-L304 HydrophobicContact CB-CD2 4.36Å; E301-L304 VanDerWaalsContact O-CD2 3.25Å; E301-L304 WeakPolarHBondContact O-CD2 3.23Å; E301-L304 WeakPolarHBondContact O-CG 3.44Å; L302-L304 HydrophobicContact CD2-CB 4.42Å; L302-L304 HydrophobicContact CD2-CD1 4.27Å; L302-L304 HydrophobicContact CD2-CG 4.2Å; L304-S359 CarbonylContact O-C 3.37Å; L304-S359 VanDerWaalsContact O-CA 3.29Å; L304-S359 WeakPolarHBondContact O-CA 3.3Å; L304-S359 WeakPolarHBondContact O-CB 3.46Å; L304-S359 PolarHBondContact O-OG 2.8Å; L304-I360 PolarHBondContact N-O 3.05Å; L304-I360 PolarHBondContact O-N 3.16Å
305L71.6Confident64.7Low67 Ų6766.7 Ų66.735%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-74.3126.7174173.557.1000110.6S307 T308 F309 V357L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 WeakPolarHBondContact CG-OG 3.39Å; L305-S307 PolarHBondContact O-N 3.03Å; L305-T308 WeakPolarHBondContact O-CB 3.48Å; L305-T308 PolarHBondContact O-N 2.96Å; L305-T308 VanDerWaalsContact O-N 3.09Å; L305-F309 PolarHBondContact O-N 3.06Å; L305-V357 HydrophobicContact CD1-CG1 3.25Å
306T67.1Low64.5Low10 Ų1066.7 Ų66.76%0.06134%0.338CS..Hα-helixtrans-53.5-41.1-177-76.10000114.1F309 L310 L334 L338 E358T306-F309 PolarHBondContact O-N 2.88Å; T306-L310 PolarHBondContact O-N 2.87Å; T306-L310 VanDerWaalsContact O-N 3.08Å; T306-L334 HydrophobicContact CG2-CD2 3.36Å; T306-L334 HydrophobicContact CG2-CG 3.82Å; T306-L338 HydrophobicContact CG2-CD1 3.47Å; T306-L338 VanDerWaalsContact CG2-CD1 3.47Å; T306-L338 WeakPolarHBondContact OG1-CD1 3.19Å; T306-E358 VanDerWaalsContact CB-O 3.28Å; T306-E358 WeakPolarHBondContact CB-O 3.36Å; T306-E358 PolarHBondContact N-O 2.89Å; T306-E358 PolarHBondContact OG1-O 2.92Å
307S67.4Low64.5Low71 Ų7164.4 Ų64.450%0.49733%0.331SS..Hα-helixtrans-71.3-34.9179.154.20000112.9L305 R311L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 WeakPolarHBondContact CG-OG 3.39Å; L305-S307 PolarHBondContact O-N 3.03Å; S307-R311 WeakPolarHBondContact O-CB 3.19Å; S307-R311 PolarHBondContact O-N 3.21Å
308T68.4Low64.6Low54 Ų5465.3 Ų65.333%0.33134%0.338SS..Hα-helixtrans-68.2-42.5172.9-52.80000111.2L305 R311 N312L305-T308 WeakPolarHBondContact O-CB 3.48Å; L305-T308 PolarHBondContact O-N 2.96Å; L305-T308 VanDerWaalsContact O-N 3.09Å; T308-R311 PolarHBondContact O-N 3.02Å; T308-N312 WeakPolarHBondContact O-CB 3.28Å; T308-N312 PolarHBondContact O-N 3.35Å
309F71.3Confident64.4Low4 Ų461 Ų612%0.01832%0.324CS..Hα-helixtrans-60.7-46.9177174.1-116.8000111.9F289 A292 L293 I297 L305 T306 H313 M314 I360F289-F309 AromaticContact CD2-CE1 3.68Å; F289-F309 HydrophobicContact CD2-CE1 3.68Å; F289-F309 HydrophobicContact CD2-CZ 4.15Å; F289-F309 AromaticContact CE2-CE1 3.74Å; F289-F309 HydrophobicContact CE2-CE1 3.74Å; F289-F309 HydrophobicContact CE2-CZ 4.38Å; A292-F309 HydrophobicContact CB-CE2 3.78Å; A292-F309 HydrophobicContact CB-CZ 3.84Å; L293-F309 HydrophobicContact CD2-CZ 4.45Å; L293-F309 HydrophobicContact CG-CZ 4.21Å; I297-F309 HydrophobicContact CD1-CD2 3.6Å; I297-F309 HydrophobicContact CD1-CE2 3.35Å; I297-F309 HydrophobicContact CD1-CZ 4.25Å; I297-F309 HydrophobicContact CG1-CE2 4.34Å; L305-F309 PolarHBondContact O-N 3.06Å; T306-F309 PolarHBondContact O-N 2.88Å; F309-H313 HydrophobicContact CD2-CB 3.78Å; F309-H313 AromaticContact CD2-CG 3.98Å; F309-H313 HydrophobicContact CE2-CB 3.82Å; F309-H313 WeakPolarHBondContact O-CB 3.36Å; F309-H313 PolarHBondContact O-N 3.19Å; F309-H313 VanDerWaalsContact O-N 3.09Å; F309-M314 HydrophobicContact CD1-CG 4.25Å; F309-M314 HydrophobicContact CD1-SD 3.93Å; F309-M314 HydrophobicContact CE1-CG 3.76Å; F309-M314 HydrophobicContact CE1-SD 3.52Å; F309-M314 VanDerWaalsContact CE1-SD 3.52Å; F309-M314 HydrophobicContact CE2-CG 4.38Å; F309-M314 HydrophobicContact CZ-CG 3.83Å; F309-M314 HydrophobicContact CZ-SD 4.19Å; F309-M314 PolarHBondContact O-N 3.18Å; F309-I360 HydrophobicContact CD1-CD1 3.73Å; F309-I360 HydrophobicContact CE1-CD1 4.17Å; F309-I360 HydrophobicContact CG-CD1 4.29Å
310L68.4Low63.7Low25 Ų2558.8 Ų58.813%0.13133%0.328CS..Iπ-helixtrans-57.9-54.4173.6179.171.9000111.1T306 M314 F315 L324 I326 L334T306-L310 PolarHBondContact O-N 2.87Å; T306-L310 VanDerWaalsContact O-N 3.08Å; L310-M314 HydrophobicContact CB-SD 4.47Å; L310-M314 HydrophobicContact CD1-CB 4.04Å; L310-M314 HydrophobicContact CD1-CE 4.07Å; L310-M314 HydrophobicContact CD1-CG 4.45Å; L310-M314 HydrophobicContact CD1-SD 3.75Å; L310-M314 WeakPolarHBondContact O-CB 3.38Å; L310-M314 PolarHBondContact O-N 3.16Å; L310-F315 HydrophobicContact CD1-CE2 4.23Å; L310-F315 HydrophobicContact CD2-CE2 4.1Å; L310-F315 HydrophobicContact CG-CD2 4.24Å; L310-F315 HydrophobicContact CG-CE2 3.82Å; L310-F315 WeakPolarHBondContact O-CD2 3.41Å; L310-F315 PolarHBondContact O-N 2.84Å; L310-L324 HydrophobicContact CD1-CD2 4.31Å; L310-I326 HydrophobicContact CD1-CD1 3.73Å; L310-I326 HydrophobicContact CD2-CD1 3.49Å; L310-I326 VanDerWaalsContact CD2-CD1 3.49Å; L310-I326 HydrophobicContact CG-CD1 4.27Å; L310-L334 HydrophobicContact CB-CD2 4.3Å; L310-L334 HydrophobicContact CD2-CD2 4.1Å
311R65.3Low63.6Low191 Ų19158.2 Ų58.272%0.72134%0.338SS*.Iπ-helixtrans-64.8-43.8-172.3-174.6172.9-73.9-169.6-3.2113.4S307 T308S307-R311 WeakPolarHBondContact O-CB 3.19Å; S307-R311 PolarHBondContact O-N 3.21Å; T308-R311 PolarHBondContact O-N 3.02Å
312N64.5Low63.8Low90 Ų9060.6 Ų60.648%0.48135%0.348SS..Iπ-helixtrans-102-14.1-166.9-61.813000113.9T308 T316T308-N312 WeakPolarHBondContact O-CB 3.28Å; T308-N312 PolarHBondContact O-N 3.35Å; N312-T316 PolarHBondContact O-OG1 3.1Å
313H63.5Low63.5Low32 Ų3265.5 Ų65.515%0.14837%0.369CS..Iπ-helixtrans-123.5-45.8-177.3-53.1-111.6000111.8A292 K296 F309 C317A292-H313 HydrophobicContact CB-CB 3.96Å; K296-H313 PolarHBondContact O-CE1 2.61Å; K296-H313 VanDerWaalsContact O-CE1 3.29Å; K296-H313 PolarHBondContact O-ND1 3.23Å; F309-H313 HydrophobicContact CD2-CB 3.78Å; F309-H313 AromaticContact CD2-CG 3.98Å; F309-H313 HydrophobicContact CE2-CB 3.82Å; F309-H313 WeakPolarHBondContact O-CB 3.36Å; F309-H313 PolarHBondContact O-N 3.19Å; F309-H313 VanDerWaalsContact O-N 3.09Å; H313-C317 PolarHBondContact O-N 3.38Å; H313-C317 PolarHBondContact O-SG 2.68Å
314M65.6Low63.9Low1 Ų162.6 Ų62.61%0.00535%0.35CS..Iπ-helixtrans-72.6-49.6-176.9-64.2-179.461.600113.3L285 F289 A292 F309 L310 T316 C317 C318 L324L285-M314 HydrophobicContact CD1-CE 3.57Å; F289-M314 HydrophobicContact CB-CE 3.9Å; F289-M314 HydrophobicContact CD2-CE 4.15Å; F289-M314 HydrophobicContact CD2-SD 4.06Å; A292-M314 HydrophobicContact CB-CG 4.09Å; F309-M314 HydrophobicContact CD1-CG 4.25Å; F309-M314 HydrophobicContact CD1-SD 3.93Å; F309-M314 HydrophobicContact CE1-CG 3.76Å; F309-M314 HydrophobicContact CE1-SD 3.52Å; F309-M314 VanDerWaalsContact CE1-SD 3.52Å; F309-M314 HydrophobicContact CE2-CG 4.38Å; F309-M314 HydrophobicContact CZ-CG 3.83Å; F309-M314 HydrophobicContact CZ-SD 4.19Å; F309-M314 PolarHBondContact O-N 3.18Å; L310-M314 HydrophobicContact CB-SD 4.47Å; L310-M314 HydrophobicContact CD1-CB 4.04Å; L310-M314 HydrophobicContact CD1-CE 4.07Å; L310-M314 HydrophobicContact CD1-CG 4.45Å; L310-M314 HydrophobicContact CD1-SD 3.75Å; L310-M314 WeakPolarHBondContact O-CB 3.38Å; L310-M314 PolarHBondContact O-N 3.16Å; M314-T316 VanDerWaalsContact C-N 3.29Å; M314-T316 PolarHBondContact O-N 2.89Å; M314-C317 PolarHBondContact O-N 3.2Å; M314-C317 VanDerWaalsContact O-N 3.16Å; M314-C318 PolarHBondContact O-SG 3.28Å; M314-C318 VanDerWaalsContact O-SG 3.41Å; M314-L324 HydrophobicContact CB-CD2 4.37Å; M314-L324 HydrophobicContact CE-CD2 4.34Å
315F67.8Low63.7Low94 Ų9463.4 Ų63.441%0.41235%0.354SS..G310 helixtrans-61.3-38.6176.6-77.9-75.1000112.1L310 C317 C318 L324L310-F315 HydrophobicContact CD1-CE2 4.23Å; L310-F315 HydrophobicContact CD2-CE2 4.1Å; L310-F315 HydrophobicContact CG-CD2 4.24Å; L310-F315 HydrophobicContact CG-CE2 3.82Å; L310-F315 WeakPolarHBondContact O-CD2 3.41Å; L310-F315 PolarHBondContact O-N 2.84Å; F315-C317 PolarHBondContact O-N 2.98Å; F315-C317 VanDerWaalsContact O-N 3.08Å; F315-C318 WeakPolarHBondContact O-CB 3.32Å; F315-C318 PolarHBondContact O-N 3.38Å; F315-L324 HydrophobicContact CD1-CB 4.06Å; F315-L324 HydrophobicContact CE1-CB 3.86Å; F315-L324 WeakPolarHBondContact CE1-O 3.5Å
316T59.3Low63.6Low66 Ų6661.5 Ų61.541%0.40535%0.345SS..G310 helixtrans-76.915178.3-27.10000113.6K296 N312 M314K296-T316 PolarHBondContact NZ-O 2.96Å; N312-T316 PolarHBondContact O-OG1 3.1Å; M314-T316 VanDerWaalsContact C-N 3.29Å; M314-T316 PolarHBondContact O-N 2.89Å
317C59.3Low63.5Low19 Ų1969.7 Ų69.713%0.12838%0.379CS..G310 helixtrans-134.514.4172.3-60.80000111.7H291 H313 M314 F315H291-C317 HydrophobicContact CB-CB 4.22Å; H291-C317 PolarHBondContact CD2-SG 3.29Å; H313-C317 PolarHBondContact O-N 3.38Å; H313-C317 PolarHBondContact O-SG 2.68Å; M314-C317 PolarHBondContact O-N 3.2Å; M314-C317 VanDerWaalsContact O-N 3.16Å; F315-C317 PolarHBondContact O-N 2.98Å; F315-C317 VanDerWaalsContact O-N 3.08Å
318C63.8Low63.6Low34 Ų3472 Ų7223%0.2338%0.38CS..SBendtrans-79140.5170.6-63.60000110.3M314 F315M314-C318 PolarHBondContact O-SG 3.28Å; M314-C318 VanDerWaalsContact O-SG 3.41Å; F315-C318 WeakPolarHBondContact O-CB 3.32Å; F315-C318 PolarHBondContact O-N 3.38Å
319P59.7Low63.8Low48 Ų4869.5 Ų69.531%0.31237%0.365SS..PPolyproline II helixtrans-68.7152.2176.429.4-34.7000111.7G321 K322P319-G321 PolarHBondContact O-N 3.32Å; P319-K322 HydrophobicContact CG-CB 4.38Å; P319-K322 HydrophobicContact CG-CD 4.4Å; P319-K322 PolarHBondContact O-N 3.11Å; P319-K322 VanDerWaalsContact O-N 3.17Å
320S43.7Very low63.8Low110 Ų11071.6 Ų71.677%0.76938%0.38SS*.THydrogen-bonded Turntrans-47.7126-179-15.30000111.6
321G53.4Low64Low90 Ų9072.2 Ų72.293%0.92838%0.381SS*.THydrogen-bonded Turntrans84.10.6176.900000116.8P319P319-G321 PolarHBondContact O-N 3.32Å
322K63.7Low64.1Low126 Ų12670.2 Ų70.255%0.54838%0.378SS..  trans-114.6116.5176.2-63.7-166.7178-171.30113L284 P319L284-K322 HydrophobicContact CD1-CD 3.98Å; L284-K322 HydrophobicContact CD2-CD 4.03Å; P319-K322 HydrophobicContact CG-CB 4.38Å; P319-K322 HydrophobicContact CG-CD 4.4Å; P319-K322 PolarHBondContact O-N 3.11Å; P319-K322 VanDerWaalsContact O-N 3.17Å
323Q58.2Low64.6Low143 Ų14373.4 Ų73.467%0.66839%0.387SS*.  trans-86.2131.5176179.5177.6-33.200112.2D325Q323-D325 PolarHBondContact NE2-OD1 2.82Å; Q323-D325 PolarHBondContact O-N 3.47Å
324L68.1Low64.9Low11 Ų1173.5 Ų73.56%0.05839%0.389CS..  trans-89.492.5-176.7-172.775000113.3L285 L310 M314 F315L285-L324 HydrophobicContact CB-CD1 4.15Å; L285-L324 HydrophobicContact CD1-CD1 3.89Å; L285-L324 HydrophobicContact CD1-CD2 4.02Å; L285-L324 HydrophobicContact CD1-CG 4.19Å; L310-L324 HydrophobicContact CD1-CD2 4.31Å; M314-L324 HydrophobicContact CB-CD2 4.37Å; M314-L324 HydrophobicContact CE-CD2 4.34Å; F315-L324 HydrophobicContact CD1-CB 4.06Å; F315-L324 HydrophobicContact CE1-CB 3.86Å; F315-L324 WeakPolarHBondContact CE1-O 3.5Å
325D66.8Low65.2Low45 Ų4575.7 Ų75.724%0.24140%0.404CS..  trans-99.3100.5179.1-75.1-27.9000113.2Q323 K327 K328Q323-D325 PolarHBondContact NE2-OD1 2.82Å; Q323-D325 PolarHBondContact O-N 3.47Å; D325-K327 PolarHBondContact O-N 2.81Å; D325-K328 HydrophobicContact CB-CB 4.22Å; D325-K328 HydrophobicContact CB-CD 3.85Å; D325-K328 HydrophobicContact CB-CG 3.94Å; D325-K328 PolarHBondContact O-N 2.83Å; D325-K328 VanDerWaalsContact OD2-CE 3.25Å; D325-K328 WeakPolarHBondContact OD2-CE 3.35Å; D325-K328 IonicContact OD2-NZ 2.83Å; D325-K328 PolarHBondContact OD2-NZ 3.23Å
326I70.1Confident65.6Low28 Ų2876.9 Ų76.914%0.14441%0.409CS..THydrogen-bonded Turntrans-58.4-22.1174.4-63164.9000112.8L285 L310 K328 S329 L334L285-I326 HydrophobicContact CD1-CG1 4.32Å; L310-I326 HydrophobicContact CD1-CD1 3.73Å; L310-I326 HydrophobicContact CD2-CD1 3.49Å; L310-I326 VanDerWaalsContact CD2-CD1 3.49Å; L310-I326 HydrophobicContact CG-CD1 4.27Å; I326-K328 VanDerWaalsContact C-N 3.27Å; I326-K328 PolarHBondContact O-N 3.24Å; I326-S329 PolarHBondContact O-N 2.8Å; I326-S329 PolarHBondContact O-OG 2.95Å; I326-L334 HydrophobicContact CD1-CB 4.36Å; I326-L334 HydrophobicContact CD1-CD1 4.07Å
327K66.3Low66.5Low181 Ų18173.8 Ų73.879%0.78739%0.39SS*.THydrogen-bonded Turntrans-70.8-21174.3-72.5-174.9175.9-177.50113.5D325D325-K327 PolarHBondContact O-N 2.81Å
328K68.4Low67.2Low119 Ų11973 Ų7352%0.51738%0.384SS..THydrogen-bonded Turntrans-93.9-13.1177.6-63.4177.6-176.9153.30112.8M281 D325 I326M281-K328 HydrophobicContact CG-CB 4.36Å; D325-K328 HydrophobicContact CB-CB 4.22Å; D325-K328 HydrophobicContact CB-CD 3.85Å; D325-K328 HydrophobicContact CB-CG 3.94Å; D325-K328 PolarHBondContact O-N 2.83Å; D325-K328 VanDerWaalsContact OD2-CE 3.25Å; D325-K328 WeakPolarHBondContact OD2-CE 3.35Å; D325-K328 IonicContact OD2-NZ 2.83Å; D325-K328 PolarHBondContact OD2-NZ 3.23Å; I326-K328 VanDerWaalsContact C-N 3.27Å; I326-K328 PolarHBondContact O-N 3.24Å
329S73.4Confident67.7Low3 Ų375.4 Ų75.42%0.02139%0.392CS..SBendtrans-74.7152.8174.582.50000111.6D282 I326 Y331 K332D282-S329 VanDerWaalsContact OD1-CA 3.24Å; D282-S329 WeakPolarHBondContact OD1-CA 3.14Å; D282-S329 WeakPolarHBondContact OD1-CB 3.4Å; I326-S329 PolarHBondContact O-N 2.8Å; I326-S329 PolarHBondContact O-OG 2.95Å; S329-Y331 PolarHBondContact O-N 2.87Å; S329-Y331 VanDerWaalsContact O-N 3.11Å; S329-K332 PolarHBondContact O-N 3.17Å; S329-K332 VanDerWaalsContact O-N 3.12Å
330S71.6Confident68.5Low47 Ų4774.2 Ų74.233%0.32938%0.384SS..THydrogen-bonded Turntrans-61.7-24-178.871.70000112.7D282D282-S330 PolarHBondContact OD1-N 2.79Å; D282-S330 WeakPolarHBondContact OD2-CB 3.34Å; D282-S330 PolarHBondContact OD2-OG 3.38Å
331Y71.1Confident69.9Low39 Ų3969 Ų6915%0.15335%0.348CS..THydrogen-bonded Turntrans-70.8-30.3179.7-50.5-76.1000112.8D282 L285 S329 K333 K336 F337 V340D282-Y331 HydrophobicContact CB-CE2 4.09Å; D282-Y331 VanDerWaalsContact CG-CE2 3.5Å; D282-Y331 WeakPolarHBondContact OD1-CE2 3.15Å; L285-Y331 HydrophobicContact CD2-CD2 4.09Å; L285-Y331 HydrophobicContact CD2-CE2 4.42Å; S329-Y331 PolarHBondContact O-N 2.87Å; S329-Y331 VanDerWaalsContact O-N 3.11Å; Y331-K333 PolarHBondContact O-N 2.86Å; Y331-K336 WeakPolarHBondContact O-CD 3.4Å; Y331-F337 HydrophobicContact CD1-CB 4.2Å; Y331-F337 HydrophobicContact CD1-CD2 4.43Å; Y331-F337 HydrophobicContact CD2-CB 4.11Å; Y331-F337 AromaticContact CD2-CD2 3.69Å; Y331-F337 HydrophobicContact CD2-CD2 3.69Å; Y331-F337 HydrophobicContact CD2-CG 4.35Å; Y331-F337 HydrophobicContact CE1-CD2 4.38Å; Y331-F337 AromaticContact CE2-CD2 3.6Å; Y331-F337 HydrophobicContact CE2-CD2 3.6Å; Y331-F337 HydrophobicContact CE2-CE2 4.23Å; Y331-F337 HydrophobicContact CG-CB 3.79Å; Y331-F337 HydrophobicContact CG-CD2 4.11Å; Y331-F337 HydrophobicContact CG-CG 4.46Å; Y331-F337 AromaticContact CZ-CD2 3.98Å; Y331-V340 HydrophobicContact CD1-CG2 4.33Å; Y331-V340 HydrophobicContact CE1-CB 4.07Å; Y331-V340 HydrophobicContact CE1-CG1 4.01Å; Y331-V340 HydrophobicContact CE1-CG2 4.06Å
332K67.6Low71Confident149 Ų14967.6 Ų67.665%0.64832%0.317SS*.  trans55.4-17.1-177.1-57.9-175.7179.1-175.10117.1S329S329-K332 PolarHBondContact O-N 3.17Å; S329-K332 VanDerWaalsContact O-N 3.12Å
333K74.9Confident71.3Confident157 Ų15768.3 Ų68.368%0.68332%0.322SS*.SBendtrans-141.1136.4178.3-65.9-175-179.9-178.70109.9Y331 S335 K336 F337Y331-K333 PolarHBondContact O-N 2.86Å; K333-S335 VanDerWaalsContact C-N 3.32Å; K333-S335 PolarHBondContact O-N 2.99Å; K333-K336 PolarHBondContact O-N 2.96Å; K333-K336 VanDerWaalsContact O-N 3.08Å; K333-F337 PolarHBondContact O-N 3.08Å
334L70.8Confident71.7Confident34 Ų3468.2 Ų68.218%0.17832%0.322CS..Hα-helixtrans-57.9-40-178.1-176.856.9000113.1T306 L310 I326 K336 F337 L338T306-L334 HydrophobicContact CG2-CD2 3.36Å; T306-L334 HydrophobicContact CG2-CG 3.82Å; L310-L334 HydrophobicContact CB-CD2 4.3Å; L310-L334 HydrophobicContact CD2-CD2 4.1Å; I326-L334 HydrophobicContact CD1-CB 4.36Å; I326-L334 HydrophobicContact CD1-CD1 4.07Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.79Å; L334-F337 HydrophobicContact CD1-CD1 4.15Å; L334-F337 WeakPolarHBondContact O-CB 3.31Å; L334-F337 PolarHBondContact O-N 2.89Å; L334-F337 VanDerWaalsContact O-N 3.17Å; L334-L338 HydrophobicContact CD1-CG 4.3Å; L334-L338 HydrophobicContact CG-CD1 4.47Å; L334-L338 HydrophobicContact CG-CG 4.46Å; L334-L338 WeakPolarHBondContact O-CG 3.2Å; L334-L338 PolarHBondContact O-N 2.91Å
335S71.7Confident71.4Confident47 Ų4769.7 Ų69.733%0.32933%0.328SS..Hα-helixtrans-58-39.7175.8-50.80000113K333 L338 Q339 E358K333-S335 VanDerWaalsContact C-N 3.32Å; K333-S335 PolarHBondContact O-N 2.99Å; S335-L338 PolarHBondContact O-N 2.61Å; S335-Q339 VanDerWaalsContact O-CB 3.32Å; S335-Q339 WeakPolarHBondContact O-CB 3.34Å; S335-Q339 WeakPolarHBondContact O-CG 3.35Å; S335-Q339 PolarHBondContact O-N 3.42Å; S335-E358 VanDerWaalsContact CA-OE2 3.28Å; S335-E358 WeakPolarHBondContact CA-OE2 3.25Å; S335-E358 WeakPolarHBondContact CB-OE1 3.47Å; S335-E358 WeakPolarHBondContact CB-OE2 3.09Å; S335-E358 PolarHBondContact OG-OE2 3.44Å
336K75.6Confident71.3Confident118 Ų11872.7 Ų72.751%0.51334%0.344SS..Hα-helixtrans-68.3-39.1178-166.2-175177.8-164.50111.1Y331 K333 L334 V340Y331-K336 WeakPolarHBondContact O-CD 3.4Å; K333-K336 PolarHBondContact O-N 2.96Å; K333-K336 VanDerWaalsContact O-N 3.08Å; L334-K336 VanDerWaalsContact C-N 3.3Å; L334-K336 PolarHBondContact O-N 2.79Å; K336-V340 WeakPolarHBondContact O-CG2 3.27Å; K336-V340 PolarHBondContact O-N 2.85Å; K336-V340 VanDerWaalsContact O-N 3.07Å
337F77.9Confident71.1Confident1 Ų171.4 Ų71.40%0.00434%0.337CS..Hα-helixtrans-62-49.3173171.4-104.5000111.8L285 F289 Y331 K333 L334 Q339 V340 M341L285-F337 HydrophobicContact CD2-CD1 4.41Å; L285-F337 HydrophobicContact CD2-CD2 3.6Å; L285-F337 HydrophobicContact CD2-CE2 3.7Å; L285-F337 HydrophobicContact CD2-CG 3.97Å; L285-F337 HydrophobicContact CD2-CZ 4.18Å; L285-F337 HydrophobicContact CG-CD2 4.18Å; L285-F337 HydrophobicContact CG-CE1 4.31Å; L285-F337 HydrophobicContact CG-CE2 3.76Å; L285-F337 HydrophobicContact CG-CZ 3.84Å; F289-F337 HydrophobicContact CB-CE1 4.4Å; F289-F337 HydrophobicContact CB-CZ 4.05Å; F289-F337 HydrophobicContact CD1-CZ 4.35Å; F289-F337 AromaticContact CD2-CE1 3.68Å; F289-F337 HydrophobicContact CD2-CE1 3.68Å; F289-F337 HydrophobicContact CD2-CZ 4.08Å; F289-F337 HydrophobicContact CE2-CE1 4.02Å; F289-F337 HydrophobicContact CG-CE1 4.03Å; F289-F337 AromaticContact CG-CZ 3.94Å; F289-F337 HydrophobicContact CG-CZ 3.94Å; Y331-F337 HydrophobicContact CD1-CB 4.2Å; Y331-F337 HydrophobicContact CD1-CD2 4.43Å; Y331-F337 HydrophobicContact CD2-CB 4.11Å; Y331-F337 AromaticContact CD2-CD2 3.69Å; Y331-F337 HydrophobicContact CD2-CD2 3.69Å; Y331-F337 HydrophobicContact CD2-CG 4.35Å; Y331-F337 HydrophobicContact CE1-CD2 4.38Å; Y331-F337 AromaticContact CE2-CD2 3.6Å; Y331-F337 HydrophobicContact CE2-CD2 3.6Å; Y331-F337 HydrophobicContact CE2-CE2 4.23Å; Y331-F337 HydrophobicContact CG-CB 3.79Å; Y331-F337 HydrophobicContact CG-CD2 4.11Å; Y331-F337 HydrophobicContact CG-CG 4.46Å; Y331-F337 AromaticContact CZ-CD2 3.98Å; K333-F337 PolarHBondContact O-N 3.08Å; L334-F337 HydrophobicContact CD1-CD1 4.15Å; L334-F337 WeakPolarHBondContact O-CB 3.31Å; L334-F337 PolarHBondContact O-N 2.89Å; L334-F337 VanDerWaalsContact O-N 3.17Å; F337-Q339 VanDerWaalsContact C-N 3.35Å; F337-Q339 PolarHBondContact O-N 2.82Å; F337-V340 PolarHBondContact O-N 3.36Å; F337-V340 VanDerWaalsContact O-N 3.17Å; F337-M341 HydrophobicContact CD1-CG 4.41Å; F337-M341 HydrophobicContact CD2-CE 4.3Å; F337-M341 HydrophobicContact CD2-CG 4.35Å; F337-M341 HydrophobicContact CE1-CG 4.02Å; F337-M341 HydrophobicContact CE2-CE 3.74Å; F337-M341 HydrophobicContact CE2-CG 3.97Å; F337-M341 HydrophobicContact CE2-SD 4.29Å; F337-M341 HydrophobicContact CZ-CE 4.3Å; F337-M341 HydrophobicContact CZ-CG 3.79Å; F337-M341 HydrophobicContact CZ-SD 4.25Å; F337-M341 WeakPolarHBondContact O-CG 3.48Å; F337-M341 PolarHBondContact O-N 3.41Å
338L74.8Confident71.5Confident2 Ų263.2 Ų63.21%0.0130%0.302CS..Hα-helixtrans-65.5-36.4179.4-63.6-174.9000112.7F289 T306 L334 S335 V340 M341 Q342 I348 V350F289-L338 HydrophobicContact CE2-CD2 3.91Å; T306-L338 HydrophobicContact CG2-CD1 3.47Å; T306-L338 VanDerWaalsContact CG2-CD1 3.47Å; T306-L338 WeakPolarHBondContact OG1-CD1 3.19Å; L334-L338 HydrophobicContact CD1-CG 4.3Å; L334-L338 HydrophobicContact CG-CD1 4.47Å; L334-L338 HydrophobicContact CG-CG 4.46Å; L334-L338 WeakPolarHBondContact O-CG 3.2Å; L334-L338 PolarHBondContact O-N 2.91Å; S335-L338 PolarHBondContact O-N 2.61Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 2.91Å; L338-M341 PolarHBondContact O-N 3.45Å; L338-Q342 WeakPolarHBondContact O-CB 3.23Å; L338-Q342 PolarHBondContact O-N 2.91Å; L338-I348 HydrophobicContact CB-CD1 4.1Å; L338-I348 HydrophobicContact CD2-CD1 3.68Å; L338-I348 HydrophobicContact CG-CD1 4.37Å; L338-V350 HydrophobicContact CB-CG2 4.1Å; L338-V350 HydrophobicContact CD1-CG2 4.38Å
339Q74.1Confident71.5Confident86 Ų8663.9 Ų63.940%0.40230%0.301SS..Hα-helixtrans-63.4-37.8173.7-72.5164.122.700111.5S335 F337 Q342 Q343 E358S335-Q339 VanDerWaalsContact O-CB 3.32Å; S335-Q339 WeakPolarHBondContact O-CB 3.34Å; S335-Q339 WeakPolarHBondContact O-CG 3.35Å; S335-Q339 PolarHBondContact O-N 3.42Å; F337-Q339 VanDerWaalsContact C-N 3.35Å; F337-Q339 PolarHBondContact O-N 2.82Å; Q339-Q342 PolarHBondContact O-N 3.35Å; Q339-Q343 VanDerWaalsContact O-CB 3.28Å; Q339-Q343 WeakPolarHBondContact O-CB 3.32Å; Q339-Q343 VanDerWaalsContact O-CG 3.24Å; Q339-Q343 WeakPolarHBondContact O-CG 3.44Å; Q339-Q343 PolarHBondContact O-N 3.43Å; Q339-E358 PolarHBondContact NE2-OE1 3.09Å
340V76.2Confident71.4Confident22 Ų2264.6 Ų64.613%0.13331%0.306CS..Hα-helixtrans-67.3-44.4171.8168.40000111.8Y331 K336 F337 L338 Q342 Q343 Q344 H345Y331-V340 HydrophobicContact CD1-CG2 4.33Å; Y331-V340 HydrophobicContact CE1-CB 4.07Å; Y331-V340 HydrophobicContact CE1-CG1 4.01Å; Y331-V340 HydrophobicContact CE1-CG2 4.06Å; K336-V340 WeakPolarHBondContact O-CG2 3.27Å; K336-V340 PolarHBondContact O-N 2.85Å; K336-V340 VanDerWaalsContact O-N 3.07Å; F337-V340 PolarHBondContact O-N 3.36Å; F337-V340 VanDerWaalsContact O-N 3.17Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 2.91Å; V340-Q342 PolarHBondContact O-N 3.06Å; V340-Q343 PolarHBondContact O-N 2.84Å; V340-Q344 HydrophobicContact CG1-CB 4.27Å; V340-Q344 HydrophobicContact CG1-CG 4.24Å; V340-Q344 WeakPolarHBondContact O-CB 3.45Å; V340-Q344 PolarHBondContact O-N 2.95Å; V340-H345 PolarHBondContact O-N 3.24Å
341M72.6Confident71.5Confident1 Ų167.5 Ų67.51%0.00531%0.312CS..Hα-helixtrans-63-27175.9-68.5-62.8124.100113.3L286 F289 F337 L338 H345 N346 L347 I348L286-M341 HydrophobicContact CD1-CE 3.88Å; L286-M341 HydrophobicContact CD1-SD 3.68Å; F289-M341 HydrophobicContact CD1-CG 4.49Å; F289-M341 HydrophobicContact CD1-SD 4.29Å; F289-M341 HydrophobicContact CE1-CB 4.25Å; F289-M341 HydrophobicContact CE1-CG 3.94Å; F289-M341 HydrophobicContact CE1-SD 4.03Å; F289-M341 HydrophobicContact CZ-CB 4.17Å; F289-M341 HydrophobicContact CZ-CG 4.1Å; F337-M341 HydrophobicContact CD1-CG 4.41Å; F337-M341 HydrophobicContact CD2-CE 4.3Å; F337-M341 HydrophobicContact CD2-CG 4.35Å; F337-M341 HydrophobicContact CE1-CG 4.02Å; F337-M341 HydrophobicContact CE2-CE 3.74Å; F337-M341 HydrophobicContact CE2-CG 3.97Å; F337-M341 HydrophobicContact CE2-SD 4.29Å; F337-M341 HydrophobicContact CZ-CE 4.3Å; F337-M341 HydrophobicContact CZ-CG 3.79Å; F337-M341 HydrophobicContact CZ-SD 4.25Å; F337-M341 WeakPolarHBondContact O-CG 3.48Å; F337-M341 PolarHBondContact O-N 3.41Å; L338-M341 PolarHBondContact O-N 3.45Å; M341-H345 WeakPolarHBondContact CE-CD2 3.35Å; M341-H345 HydrophobicContact SD-CB 4.39Å; M341-N346 PolarHBondContact O-N 3.01Å; M341-L347 PolarHBondContact O-N 2.8Å; M341-L347 HydrophobicContact SD-CD1 3.99Å; M341-I348 HydrophobicContact CB-CD1 4.17Å; M341-I348 HydrophobicContact CB-CG1 4.06Å
342Q77.4Confident71.6Confident61 Ų6171.5 Ų71.529%0.28533%0.333SS..Hα-helixtrans-80.7-47.4171.9176.7166.8-20.800112.7L338 Q339 V340 N346 I348L338-Q342 WeakPolarHBondContact O-CB 3.23Å; L338-Q342 PolarHBondContact O-N 2.91Å; Q339-Q342 PolarHBondContact O-N 3.35Å; V340-Q342 PolarHBondContact O-N 3.06Å; Q342-N346 WeakPolarHBondContact O-CA 3.29Å; Q342-N346 PolarHBondContact O-N 3.02Å; Q342-I348 WeakPolarHBondContact CA-O 3.33Å; Q342-I348 HydrophobicContact CB-CG1 4.44Å; Q342-I348 WeakPolarHBondContact CB-O 3.38Å; Q342-I348 WeakPolarHBondContact CG-O 3.29Å
343Q70Confident71.2Confident140 Ų14069.1 Ų69.165%0.65433%0.327SS*.Hα-helixtrans-85.1-42.6-170.2-68.1174.71400114Q339 V340Q339-Q343 VanDerWaalsContact O-CB 3.28Å; Q339-Q343 WeakPolarHBondContact O-CB 3.32Å; Q339-Q343 VanDerWaalsContact O-CG 3.24Å; Q339-Q343 WeakPolarHBondContact O-CG 3.44Å; Q339-Q343 PolarHBondContact O-N 3.43Å; V340-Q343 PolarHBondContact O-N 2.84Å
344Q66.7Low70.5Confident141 Ų14166 Ų6666%0.65932%0.32SS*.THydrogen-bonded Turntrans-90.4-43.1-176.7-62.4-174.9-7.700111V340V340-Q344 HydrophobicContact CG1-CB 4.27Å; V340-Q344 HydrophobicContact CG1-CG 4.24Å; V340-Q344 WeakPolarHBondContact O-CB 3.45Å; V340-Q344 PolarHBondContact O-N 2.95Å
345H62.3Low69.5Low43 Ų4374 Ų7420%0.19935%0.354CS..SBendtrans-94.8-18-174.7-62.5-83000114.6V340 M341 L347 N367 Q369V340-H345 PolarHBondContact O-N 3.24Å; M341-H345 WeakPolarHBondContact CE-CD2 3.35Å; M341-H345 HydrophobicContact SD-CB 4.39Å; H345-L347 HydrophobicContact CB-CB 4.48Å; H345-L347 HydrophobicContact CB-CD1 3.68Å; H345-L347 HydrophobicContact CB-CG 3.85Å; H345-L347 PolarHBondContact O-N 3Å; H345-N367 PolarHBondContact O-ND2 2.88Å; H345-Q369 PolarHBondContact ND1-OE1 2.86Å
346N64.8Low68.8Low107 Ų10775.3 Ų75.357%0.57238%0.375SS*.  trans49.737.5-173.9-65.7-78.7000113.3M341 Q342 N367M341-N346 PolarHBondContact O-N 3.01Å; Q342-N346 WeakPolarHBondContact O-CA 3.29Å; Q342-N346 PolarHBondContact O-N 3.02Å; N346-N367 PolarHBondContact O-ND2 3.13Å; N346-N367 VanDerWaalsContact O-ND2 3.11Å
347L65.3Low68.1Low1 Ų172.3 Ų72.31%0.00537%0.366CS..  trans-87-35-178.8-76.1166.4000112.7F289 L290 M341 H345 V363 D364 N367 L370F289-L347 HydrophobicContact CE1-CD1 4.33Å; L290-L347 HydrophobicContact CD2-CD1 4.09Å; L290-L347 HydrophobicContact CD2-CD2 4.37Å; M341-L347 PolarHBondContact O-N 2.8Å; M341-L347 HydrophobicContact SD-CD1 3.99Å; H345-L347 HydrophobicContact CB-CB 4.48Å; H345-L347 HydrophobicContact CB-CD1 3.68Å; H345-L347 HydrophobicContact CB-CG 3.85Å; H345-L347 PolarHBondContact O-N 3Å; L347-V363 WeakPolarHBondContact O-CA 3.09Å; L347-D364 PolarHBondContact O-N 2.99Å; L347-N367 HydrophobicContact CD2-CB 3.88Å; L347-L370 HydrophobicContact CD2-CD1 3.74Å; L347-L370 HydrophobicContact CD2-CG 3.87Å
348I74.1Confident67.8Low9 Ų974.4 Ų74.45%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-137.4160.7-172.460.4163000112F289 L293 L338 M341 Q342 V350 I360 E362 V363F289-I348 HydrophobicContact CZ-CD1 4.02Å; F289-I348 HydrophobicContact CZ-CG1 4.4Å; F289-I348 HydrophobicContact CZ-CG2 3.82Å; L293-I348 HydrophobicContact CD1-CG2 4.5Å; L338-I348 HydrophobicContact CB-CD1 4.1Å; L338-I348 HydrophobicContact CD2-CD1 3.68Å; L338-I348 HydrophobicContact CG-CD1 4.37Å; M341-I348 HydrophobicContact CB-CD1 4.17Å; M341-I348 HydrophobicContact CB-CG1 4.06Å; Q342-I348 WeakPolarHBondContact CA-O 3.33Å; Q342-I348 HydrophobicContact CB-CG1 4.44Å; Q342-I348 WeakPolarHBondContact CB-O 3.38Å; Q342-I348 WeakPolarHBondContact CG-O 3.29Å; I348-V350 HydrophobicContact CD1-CG2 3.76Å; I348-V350 HydrophobicContact CG1-CG2 4.44Å; I348-I360 HydrophobicContact CB-CG2 4.24Å; I348-I360 HydrophobicContact CD1-CD1 4.43Å; I348-I360 HydrophobicContact CD1-CG1 4.45Å; I348-I360 HydrophobicContact CG2-CG2 4.26Å; I348-E362 CarbonylContact C-O 3.48Å; I348-E362 WeakPolarHBondContact CA-O 3.28Å; I348-V363 HydrophobicContact CG2-CG2 4.27Å
349R68.5Low67.7Low133 Ų13374.6 Ų74.650%0.50238%0.378SS..EExtended strand (participates in β ladder)trans-126.6109.2173.5-146.6-179-167.8-179.95.8109.9V361 E362R349-V361 PolarHBondContact O-N 3Å; R349-E362 HydrophobicContact CB-CB 3.91Å; R349-E362 WeakPolarHBondContact CD-OE2 3.33Å; R349-E362 IonicContact CZ-OE2 2.81Å; R349-E362 PolarHBondContact N-O 3.25Å; R349-E362 IonicContact NE-OE2 2.65Å; R349-E362 IonicContact NH1-OE1 2.86Å; R349-E362 IonicContact NH1-OE2 3.63Å; R349-E362 PolarHBondContact NH1-OE2 2.77Å; R349-E362 PolarHBondContact O-N 2.78Å
350V72.3Confident67.7Low19 Ų1970.7 Ų70.712%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-92144.3-180-173.60000110.1L338 I348 E358 S359L338-V350 HydrophobicContact CB-CG2 4.1Å; L338-V350 HydrophobicContact CD1-CG2 4.38Å; I348-V350 HydrophobicContact CD1-CG2 3.76Å; I348-V350 HydrophobicContact CG1-CG2 4.44Å; V350-E358 HydrophobicContact CG1-CB 3.74Å; V350-E358 HydrophobicContact CG1-CG 4.01Å; V350-S359 CarbonylContact C-O 3.55Å; V350-S359 VanDerWaalsContact CA-O 3.31Å; V350-S359 WeakPolarHBondContact CA-O 2.95Å; V350-S359 WeakPolarHBondContact CG1-O 3.19Å
351K72.6Confident67.1Low107 Ų10771.2 Ų71.247%0.46536%0.362SS..EExtended strand (participates in β ladder)trans-136.1147.5164.4-62.3-175.8-175.4170.90110L353 S359 V361K351-L353 PolarHBondContact O-N 2.91Å; K351-S359 PolarHBondContact N-O 3.37Å; K351-S359 PolarHBondContact O-N 2.9Å; K351-V361 HydrophobicContact CB-CG2 3.86Å; K351-V361 HydrophobicContact CD-CG2 4.13Å; K351-V361 HydrophobicContact CG-CG2 3.94Å
352E73.4Confident66.8Low123 Ų12375.4 Ų75.458%0.57538%0.382SS*.EExtended strand (participates in β ladder)trans-79.3107.1166.1-172.3178.8176.200108.2T354 K355 G356 V357E352-T354 VanDerWaalsContact CG-O 3.29Å; E352-T354 WeakPolarHBondContact CG-O 3.35Å; E352-K355 VanDerWaalsContact OE1-CA 3.29Å; E352-K355 WeakPolarHBondContact OE1-CA 3.2Å; E352-G356 PolarHBondContact OE1-N 2.87Å; E352-V357 WeakPolarHBondContact CA-O 3.3Å
353L60.3Low66.3Low100 Ų10073.2 Ų73.252%0.52437%0.373SS..EExtended strand (participates in β ladder)trans-90.2-26.3-178.4-70.1178.5000112.5P303 K351 V357P303-L353 HydrophobicContact CB-CD1 3.96Å; P303-L353 HydrophobicContact CG-CD1 3.95Å; K351-L353 PolarHBondContact O-N 2.91Å; L353-V357 PolarHBondContact N-O 3.45Å
354T59.2Low66.1Low90 Ų9070.3 Ų70.355%0.55236%0.362SS*.EExtended strand (participates in β ladder)trans-139.3150.317150.40000108.5E352 G356 V357E352-T354 VanDerWaalsContact CG-O 3.29Å; E352-T354 WeakPolarHBondContact CG-O 3.35Å; T354-G356 PolarHBondContact O-N 2.86Å; T354-V357 PolarHBondContact O-N 3.14Å; T354-V357 WeakPolarHBondContact OG1-CB 3.23Å
355K49.4Very low66Low204 Ų20467.3 Ų67.389%0.88735%0.345SS*.THydrogen-bonded Turntrans-55.4122.8-172-72.1-172.7176-175.50111.8E352E352-K355 VanDerWaalsContact OE1-CA 3.29Å; E352-K355 WeakPolarHBondContact OE1-CA 3.2Å
356G57.9Low65.7Low74 Ų7473.2 Ų73.276%0.76337%0.37SS*.THydrogen-bonded Turntrans83.86.6-177.300000115.4E352 T354E352-G356 PolarHBondContact OE1-N 2.87Å; T354-G356 PolarHBondContact O-N 2.86Å
357V61.1Low65.7Low55 Ų5569.5 Ų69.533%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-131.6103.2-170.5-170.40000112.3L305 E352 L353 T354L305-V357 HydrophobicContact CD1-CG1 3.25Å; E352-V357 WeakPolarHBondContact CA-O 3.3Å; L353-V357 PolarHBondContact N-O 3.45Å; T354-V357 PolarHBondContact O-N 3.14Å; T354-V357 WeakPolarHBondContact OG1-CB 3.23Å
358E70.6Confident65Low44 Ų4477.2 Ų77.221%0.20639%0.386CS..EExtended strand (participates in β ladder)trans-73.3140.7172.6-71.7174.7142.900112.3T306 S335 Q339 V350T306-E358 VanDerWaalsContact CB-O 3.28Å; T306-E358 WeakPolarHBondContact CB-O 3.36Å; T306-E358 PolarHBondContact N-O 2.89Å; T306-E358 PolarHBondContact OG1-O 2.92Å; S335-E358 VanDerWaalsContact CA-OE2 3.28Å; S335-E358 WeakPolarHBondContact CA-OE2 3.25Å; S335-E358 WeakPolarHBondContact CB-OE1 3.47Å; S335-E358 WeakPolarHBondContact CB-OE2 3.09Å; S335-E358 PolarHBondContact OG-OE2 3.44Å; Q339-E358 PolarHBondContact NE2-OE1 3.09Å; V350-E358 HydrophobicContact CG1-CB 3.74Å; V350-E358 HydrophobicContact CG1-CG 4.01Å
359S72.7Confident64.2Low7 Ų779.9 Ų79.95%0.04940%0.398CS..EExtended strand (participates in β ladder)trans-138.7140.5177.21740000111.1L304 V350 K351L304-S359 CarbonylContact O-C 3.37Å; L304-S359 VanDerWaalsContact O-CA 3.29Å; L304-S359 WeakPolarHBondContact O-CA 3.3Å; L304-S359 WeakPolarHBondContact O-CB 3.46Å; L304-S359 PolarHBondContact O-OG 2.8Å; V350-S359 CarbonylContact C-O 3.55Å; V350-S359 VanDerWaalsContact CA-O 3.31Å; V350-S359 WeakPolarHBondContact CA-O 2.95Å; V350-S359 WeakPolarHBondContact CG1-O 3.19Å; K351-S359 PolarHBondContact N-O 3.37Å; K351-S359 PolarHBondContact O-N 2.9Å
360I74.4Confident63.8Low4 Ų474 Ų742%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-83.8114.7176.6-56.9174.5000108L302 P303 L304 F309 I348 V363L302-I360 HydrophobicContact CD2-CG2 4.44Å; P303-I360 CarbonylContact C-O 3.57Å; P303-I360 WeakPolarHBondContact CA-O 3.39Å; L304-I360 PolarHBondContact N-O 3.05Å; L304-I360 PolarHBondContact O-N 3.16Å; F309-I360 HydrophobicContact CD1-CD1 3.73Å; F309-I360 HydrophobicContact CE1-CD1 4.17Å; F309-I360 HydrophobicContact CG-CD1 4.29Å; I348-I360 HydrophobicContact CB-CG2 4.24Å; I348-I360 HydrophobicContact CD1-CD1 4.43Å; I348-I360 HydrophobicContact CD1-CG1 4.45Å; I348-I360 HydrophobicContact CG2-CG2 4.26Å; I360-V363 HydrophobicContact CG2-CG2 4.05Å
361V64Low63Low32 Ų3282.3 Ų82.319%0.19441%0.406CS..EExtended strand (participates in β ladder)trans-101.6-37.1-172.7-1730000112P303 R349 K351P303-V361 HydrophobicContact CB-CB 4.41Å; P303-V361 HydrophobicContact CB-CG1 4.39Å; P303-V361 HydrophobicContact CB-CG2 4.13Å; R349-V361 PolarHBondContact O-N 3Å; K351-V361 HydrophobicContact CB-CG2 3.86Å; K351-V361 HydrophobicContact CD-CG2 4.13Å; K351-V361 HydrophobicContact CG-CG2 3.94Å
362E64.8Low62Low89 Ų8981.6 Ų81.642%0.41641%0.414SS..EExtended strand (participates in β ladder)trans-137.9150.7180-62.9169.6168.400109.9I348 R349I348-E362 CarbonylContact C-O 3.48Å; I348-E362 WeakPolarHBondContact CA-O 3.28Å; R349-E362 HydrophobicContact CB-CB 3.91Å; R349-E362 WeakPolarHBondContact CD-OE2 3.33Å; R349-E362 IonicContact CZ-OE2 2.81Å; R349-E362 PolarHBondContact N-O 3.25Å; R349-E362 IonicContact NE-OE2 2.65Å; R349-E362 IonicContact NH1-OE1 2.86Å; R349-E362 IonicContact NH1-OE2 3.63Å; R349-E362 PolarHBondContact NH1-OE2 2.77Å; R349-E362 PolarHBondContact O-N 2.78Å
363V68.7Low61Low15 Ų1577.4 Ų77.49%0.09139%0.394CS..EExtended strand (participates in β ladder)trans-133.6130.8178.3177.70000107.7L293 L302 L347 I348 I360 W365L293-V363 HydrophobicContact CD2-CG1 3.96Å; L293-V363 HydrophobicContact CD2-CG2 3.95Å; L302-V363 HydrophobicContact CD1-CG2 4.23Å; L302-V363 HydrophobicContact CD2-CG2 4.44Å; L347-V363 WeakPolarHBondContact O-CA 3.09Å; I348-V363 HydrophobicContact CG2-CG2 4.27Å; I360-V363 HydrophobicContact CG2-CG2 4.05Å; V363-W365 HydrophobicContact CB-CZ2 4.31Å; V363-W365 HydrophobicContact CG1-CD2 4.28Å; V363-W365 HydrophobicContact CG1-CZ2 4.19Å; V363-W365 PolarHBondContact O-N 3.48Å; V363-W365 PolarHBondContact O-NE1 3.17Å
364D65.3Low60.2Low79 Ų7977.3 Ų77.342%0.42240%0.401SS..  trans-90.891175.8-166.2-1.9000112.7L347 K366 N367L347-D364 PolarHBondContact O-N 2.99Å; D364-K366 PolarHBondContact O-N 3.01Å; D364-K366 VanDerWaalsContact O-N 3.07Å; D364-K366 VanDerWaalsContact OD1-CB 3.31Å; D364-K366 WeakPolarHBondContact OD1-CB 3.28Å; D364-K366 PolarHBondContact OD1-N 3.4Å; D364-N367 VanDerWaalsContact O-CB 3.31Å; D364-N367 WeakPolarHBondContact O-CB 3.4Å; D364-N367 PolarHBondContact O-N 3.48Å
365W64.9Low59.9Low79 Ų7977 Ų7730%0.29940%0.395SS..THydrogen-bonded Turntrans-62.2-6.8174.7-54.688.9000115.1L293 I297 V363L293-W365 VanDerWaalsContact O-CH2 3.22Å; L293-W365 WeakPolarHBondContact O-CH2 3.23Å; L293-W365 VanDerWaalsContact O-CZ3 3.31Å; L293-W365 WeakPolarHBondContact O-CZ3 3.25Å; I297-W365 HydrophobicContact CB-CH2 4.33Å; I297-W365 HydrophobicContact CG2-CH2 4.19Å; I297-W365 HydrophobicContact CG2-CZ2 4.1Å; V363-W365 HydrophobicContact CB-CZ2 4.31Å; V363-W365 HydrophobicContact CG1-CD2 4.28Å; V363-W365 HydrophobicContact CG1-CZ2 4.19Å; V363-W365 PolarHBondContact O-N 3.48Å; V363-W365 PolarHBondContact O-NE1 3.17Å
366K56.1Low59.9Low167 Ų16770 Ų7073%0.72637%0.371SS*.THydrogen-bonded Turntrans-90.8-12.4176.4-62.1-180178.9177.30113.4D364D364-K366 PolarHBondContact O-N 3.01Å; D364-K366 VanDerWaalsContact O-N 3.07Å; D364-K366 VanDerWaalsContact OD1-CB 3.31Å; D364-K366 WeakPolarHBondContact OD1-CB 3.28Å; D364-K366 PolarHBondContact OD1-N 3.4Å
367N64.1Low59Low28 Ų2876 Ų7615%0.1538%0.379CS..  trans-60.3141.1-171.9-165.4-43.9000112.4H345 N346 L347 D364 Q369 L370 R371H345-N367 PolarHBondContact O-ND2 2.88Å; N346-N367 PolarHBondContact O-ND2 3.13Å; N346-N367 VanDerWaalsContact O-ND2 3.11Å; L347-N367 HydrophobicContact CD2-CB 3.88Å; D364-N367 VanDerWaalsContact O-CB 3.31Å; D364-N367 WeakPolarHBondContact O-CB 3.4Å; D364-N367 PolarHBondContact O-N 3.48Å; N367-Q369 VanDerWaalsContact C-N 3.32Å; N367-Q369 PolarHBondContact O-N 2.97Å; N367-Q369 PolarHBondContact OD1-N 3.32Å; N367-L370 PolarHBondContact O-N 2.92Å; N367-R371 PolarHBondContact O-N 3.32Å
368Q51.7Low58Low163 Ų16381.2 Ų81.276%0.76240%0.4SS*.Hα-helixtrans-61.2-37.2-173-172.9166.8-19.900112.4R371 S372Q368-R371 PolarHBondContact O-N 2.88Å; Q368-S372 PolarHBondContact O-N 3.29Å; Q368-S372 PolarHBondContact O-OG 3.05Å
369Q56.8Low56.4Low65 Ų6581.9 Ų81.930%0.30441%0.413SS..Hα-helixtrans-67.6-36.3-179.9-65.4-175.6-86.300113.2H345 N367 R371 S372 F373H345-Q369 PolarHBondContact ND1-OE1 2.86Å; N367-Q369 VanDerWaalsContact C-N 3.32Å; N367-Q369 PolarHBondContact O-N 2.97Å; N367-Q369 PolarHBondContact OD1-N 3.32Å; Q369-R371 VanDerWaalsContact C-N 3.27Å; Q369-R371 PolarHBondContact O-N 3.07Å; Q369-S372 PolarHBondContact O-OG 2.61Å; Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 2.99Å
370L59.4Low54.4Low10 Ų1084.8 Ų84.85%0.05244%0.444CS..Hα-helixtrans-69.1-27.5174.3-85.1165000112.4L290 L293 K294 L347 N367L290-L370 HydrophobicContact CD2-CD2 3.73Å; L290-L370 HydrophobicContact CD2-CG 3.93Å; L293-L370 HydrophobicContact CB-CD2 4.32Å; K294-L370 PolarHBondContact NZ-O 3.09Å; L347-L370 HydrophobicContact CD2-CD1 3.74Å; L347-L370 HydrophobicContact CD2-CG 3.87Å; N367-L370 PolarHBondContact O-N 2.92Å
371R55.8Low52.6Low194 Ų19490.6 Ų90.673%0.73248%0.479SS*.Hα-helixtrans-79.7-41.2176.2-76.9179.7151.1-161.5-10.7112.7N367 Q368 Q369N367-R371 PolarHBondContact O-N 3.32Å; Q368-R371 PolarHBondContact O-N 2.88Å; Q369-R371 VanDerWaalsContact C-N 3.27Å; Q369-R371 PolarHBondContact O-N 3.07Å
372S50.8Low51.1Low91 Ų9196.9 Ų96.964%0.63651%0.506SS*.Hα-helixtrans-75.9-19.4179.760.70000114.2Q368 Q369 S374Q368-S372 PolarHBondContact O-N 3.29Å; Q368-S372 PolarHBondContact O-OG 3.05Å; Q369-S372 PolarHBondContact O-OG 2.61Å; S372-S374 PolarHBondContact O-N 2.85Å
373F52.3Low49.5Very low36 Ų36100.8 Ų100.816%0.15853%0.525CS..  trans-72106.1178.7-174.7-104000112Q287 L290 H291 K294 Q369Q287-F373 HydrophobicContact CG-CE2 4Å; Q287-F373 HydrophobicContact CG-CZ 3.97Å; L290-F373 HydrophobicContact CB-CD1 4.22Å; L290-F373 HydrophobicContact CB-CD2 4.45Å; L290-F373 HydrophobicContact CB-CE1 4.35Å; L290-F373 HydrophobicContact CB-CG 4.27Å; L290-F373 HydrophobicContact CD1-CD2 4.25Å; L290-F373 HydrophobicContact CD1-CG 4.46Å; H291-F373 HydrophobicContact CB-CE1 4.16Å; H291-F373 HydrophobicContact CB-CZ 4.41Å; K294-F373 HydrophobicContact CD-CD1 4.33Å; K294-F373 PolarHBondContact NZ-O 3.31Å; Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 2.99Å
374S43.6Very low47.5Very low97 Ų97105.5 Ų105.568%0.67855%0.554SS**PPolyproline II helixtrans-70146.8163.442.90000110.4S372S372-S374 PolarHBondContact O-N 2.85Å
375I54.2Low45.7Very low83 Ų83106.2 Ų106.243%0.42657%0.571SS.*PPolyproline II helixtrans-84126.9173.2-63.7171.9000107.1K294 A379K294-I375 HydrophobicContact CD-CG1 4.47Å; I375-A379 HydrophobicContact CG2-CB 4.09Å
376P48.6Very low44Very low57 Ų57108.4 Ų108.437%0.3759%0.592SS.*PPolyproline II helixtrans-60.4137172.7-23.734.7000111.5E378 A379P376-E378 PolarHBondContact O-N 3.36Å; P376-A379 PolarHBondContact O-N 2.8Å
377E38.5Very low42.9Very low201 Ų201108.9 Ų108.994%0.93960%0.602SS**THydrogen-bonded Turntrans-76.89.3-163.6-156.1159.3-162.800114.8
378E40.8Very low41.3Very low164 Ų164113 Ų11377%0.76663%0.633SS**THydrogen-bonded Turntrans-93.2-7.2173.2-62.5-175.3143.500113.3P376 G380P376-E378 PolarHBondContact O-N 3.36Å; E378-G380 PolarHBondContact O-N 2.81Å
379A37Very low40Very low59 Ų59108.7 Ų108.749%0.48863%0.633SS.*  trans-78.740.5-177.900000114.2I375 P376 V381I375-A379 HydrophobicContact CG2-CB 4.09Å; P376-A379 PolarHBondContact O-N 2.8Å; A379-V381 PolarHBondContact O-N 3.18Å; A379-V381 VanDerWaalsContact O-N 3.16Å
380G30.6Very low38.9Very low67 Ų67115.1 Ų115.169%0.69166%0.663SS**  trans-83.278.9-174.200000114.6E378E378-G380 PolarHBondContact O-N 2.81Å
381V37.5Very low37.7Very low126 Ų126118.8 Ų118.876%0.76470%0.703SS**  trans60.375.1164.2-163.90000115.7A379 E383A379-V381 PolarHBondContact O-N 3.18Å; A379-V381 VanDerWaalsContact O-N 3.16Å; V381-E383 HydrophobicContact CG1-CG 4.35Å
382E31.5Very low37Very low164 Ų164116.5 Ų116.577%0.76670%0.7SS**  trans-99.6102.1151.7-73.8-162.6161.100110.8T384E382-T384 PolarHBondContact O-N 3.23Å
383E30.9Very low37.2Very low172 Ų172118.3 Ų118.380%0.80471%0.708SS**  trans-75.699.1167.7-72.2-162.1127.500110.6V381 A385V381-E383 HydrophobicContact CG1-CG 4.35Å; E383-A385 PolarHBondContact O-N 2.91Å; E383-A385 VanDerWaalsContact O-N 3.15Å
384T26.7Very low37.9Very low113 Ų113121.4 Ų121.469%0.69373%0.732SS**  trans3665.5157.244.90000116.3E382 V386E382-T384 PolarHBondContact O-N 3.23Å; T384-V386 PolarHBondContact O-N 3.32Å
385A27.3Very low39.5Very low94 Ų94119.5 Ų119.578%0.77771%0.71SS**  trans-59.9103.5164.900000110.1E383 L387E383-A385 PolarHBondContact O-N 2.91Å; E383-A385 VanDerWaalsContact O-N 3.15Å; A385-L387 PolarHBondContact O-N 3.03Å
386V30.5Very low40.4Very low125 Ų125120.9 Ų120.976%0.75871%0.714SS**  trans-78.2119.1173.9-176.20000108.2T384 S388T384-V386 PolarHBondContact O-N 3.32Å; V386-S388 PolarHBondContact O-N 3.48Å
387L32.5Very low41.8Very low177 Ų177120.3 Ų120.393%0.92771%0.711SS**  trans-46106.2-176-70.9166.1000112.8A385A385-L387 PolarHBondContact O-N 3.03Å
388S29.7Very low43.9Very low114 Ų114111.5 Ų111.580%0.79767%0.671SS**  trans-141.9144.7169.5-65.40000107.3V386V386-S388 PolarHBondContact O-N 3.48Å
389G25.8Very low46Very low74 Ų74110 Ų11076%0.76366%0.664SS**  trans-73.7146.8-162.200000115.6
390E32.1Very low48.4Very low199 Ų199108.2 Ų108.293%0.9365%0.646SS**SBendtrans39.491.2148-60.6-177.7153.400118.7
391G34.9Very low51.2Low87 Ų87106.9 Ų106.990%0.89762%0.624SS**  trans89.739.4134.900000118.6
392E41.9Very low53.6Low146 Ų146103.3 Ų103.368%0.68260%0.603SS**  trans-117.7128.3158.6-69.7-169.8174.900110.3
393T53.9Low56.5Low130 Ų13096 Ų9680%0.79857%0.569SS**PPolyproline II helixtrans-67.2137.9170.748.40000109.6Y395T393-Y395 PolarHBondContact O-N 2.68Å
394P66.6Low59.3Low100 Ų10089.9 Ų89.965%0.64954%0.539SS*.PPolyproline II helixtrans-57125.7179.721.8-32000110.8H396P394-H396 PolarHBondContact O-CE1 3.15Å; P394-H396 PolarHBondContact O-N 3.34Å; P394-H396 PolarHBondContact O-ND1 2.73Å
395Y77.4Confident62.4Low58 Ų5884.7 Ų84.723%0.22751%0.508CS..PPolyproline II helixtrans-63.8129.1178.2169.8-84.5000110T393 P397 P398 Y532 L534 Y583 I585T393-Y395 PolarHBondContact O-N 2.68Å; Y395-P397 HydrophobicContact CE1-CB 4.29Å; Y395-P398 VanDerWaalsContact OH-CD 3.26Å; Y395-P398 WeakPolarHBondContact OH-CD 3.3Å; Y395-Y532 WeakPolarHBondContact CE2-O 3.4Å; Y395-Y532 PolarHBondContact OH-O 2.84Å; Y395-Y532 VanDerWaalsContact OH-O 3.06Å; Y395-L534 HydrophobicContact CD1-CD2 4.36Å; Y395-L534 HydrophobicContact CD2-CD2 3.6Å; Y395-L534 HydrophobicContact CE1-CD2 4.26Å; Y395-L534 HydrophobicContact CE2-CD2 3.47Å; Y395-L534 VanDerWaalsContact CE2-CD2 3.47Å; Y395-L534 HydrophobicContact CE2-CG 4.03Å; Y395-L534 HydrophobicContact CG-CD2 4.05Å; Y395-Y583 AromaticContact CD1-CD1 3.6Å; Y395-Y583 HydrophobicContact CD1-CD1 3.6Å; Y395-Y583 HydrophobicContact CD1-CG 4.24Å; Y395-Y583 HydrophobicContact CE1-CD1 4.26Å; Y395-Y583 VanDerWaalsContact CE1-O 3.29Å; Y395-Y583 WeakPolarHBondContact CE1-O 3.28Å; Y395-Y583 AromaticContact CG-CD1 3.79Å; Y395-Y583 HydrophobicContact CG-CD1 3.79Å; Y395-Y583 HydrophobicContact CG-CE1 4.34Å; Y395-I585 HydrophobicContact CE1-CG1 4.48Å
396H74.8Confident65.4Low111 Ų11180.4 Ų80.451%0.51447%0.471SS..  trans-110.2133.1172.4-69.970.1000109P394 P496P394-H396 PolarHBondContact O-CE1 3.15Å; P394-H396 PolarHBondContact O-N 3.34Å; P394-H396 PolarHBondContact O-ND1 2.73Å; H396-P496 HydrophobicContact CB-CG 3.83Å
397P76.8Confident68.1Low46 Ų4675.7 Ų75.730%0.29944%0.444SS..PPolyproline II helixtrans-64.4136-179.727-34.5000110.8Y395 Q584Y395-P397 HydrophobicContact CE1-CB 4.29Å; P397-Q584 HydrophobicContact CG-CB 4.21Å
398P83.8Confident70.6Confident15 Ų1570 Ų7010%0.09742%0.423CS..PPolyproline II helixtrans-70.6148.3179.727-34.1000112.5Y395 I400 V493 V494 F495Y395-P398 VanDerWaalsContact OH-CD 3.26Å; Y395-P398 WeakPolarHBondContact OH-CD 3.3Å; P398-I400 HydrophobicContact CB-CG1 4.47Å; P398-I400 HydrophobicContact CG-CD1 4.1Å; P398-I400 HydrophobicContact CG-CG1 4.21Å; P398-I400 PolarHBondContact O-N 3.16Å; P398-V493 HydrophobicContact CB-CG1 3.53Å; P398-V493 HydrophobicContact CG-CG1 3.97Å; P398-V494 CarbonylContact C-O 3.59Å; P398-V494 VanDerWaalsContact CA-O 3.25Å; P398-V494 WeakPolarHBondContact CA-O 3.47Å; P398-V494 WeakPolarHBondContact CB-O 2.93Å; P398-F495 HydrophobicContact CB-CD1 3.68Å; P398-F495 HydrophobicContact CB-CE1 3.64Å; P398-F495 HydrophobicContact CB-CG 4.16Å; P398-F495 HydrophobicContact CB-CZ 4.1Å; P398-F495 HydrophobicContact CG-CD1 4.1Å; P398-F495 HydrophobicContact CG-CE1 3.59Å; P398-F495 HydrophobicContact CG-CZ 4.05Å
399E83.8Confident73.3Confident132 Ų13270 Ų7062%0.61741%0.405SS*.EExtended strand (participates in β ladder)trans-71.5125.1164-166.6-179178.700108.9V493 V494E399-V493 WeakPolarHBondContact O-CA 3.49Å; E399-V494 HydrophobicContact CB-CB 4.34Å; E399-V494 PolarHBondContact N-O 3.11Å; E399-V494 PolarHBondContact O-N 2.89Å
400I87.9Confident76.1Confident23 Ų2366.4 Ų66.412%0.11837%0.369CS..EExtended strand (participates in β ladder)trans-121.9113.1-175.5-65.8158.8000108.9P398 Q492 V493 I507 Y532 Y589P398-I400 HydrophobicContact CB-CG1 4.47Å; P398-I400 HydrophobicContact CG-CD1 4.1Å; P398-I400 HydrophobicContact CG-CG1 4.21Å; P398-I400 PolarHBondContact O-N 3.16Å; I400-Q492 WeakPolarHBondContact CA-O 3.43Å; I400-V493 HydrophobicContact CG1-CG1 4.42Å; I400-I507 HydrophobicContact CD1-CD1 3.75Å; I400-I507 HydrophobicContact CG1-CD1 4.15Å; I400-I507 HydrophobicContact CG2-CD1 3.64Å; I400-I507 HydrophobicContact CG2-CG2 4.45Å; I400-Y532 HydrophobicContact CD1-CD1 3.89Å; I400-Y532 HydrophobicContact CD1-CE1 3.63Å; I400-Y589 HydrophobicContact CB-CE2 4.27Å; I400-Y589 HydrophobicContact CD1-CD2 4.06Å; I400-Y589 HydrophobicContact CD1-CE2 3.68Å; I400-Y589 HydrophobicContact CG2-CE1 4.4Å; I400-Y589 HydrophobicContact CG2-CE2 4.48Å; I400-Y589 WeakPolarHBondContact CG2-OH 3.5Å
401T88.4Confident78.8Confident38 Ų3859.6 Ų59.623%0.23334%0.337CS..EExtended strand (participates in β ladder)trans-120.8119.2-172.8-54.30000110.2L403 L426 Y491 Q492T401-L403 HydrophobicContact CG2-CD2 4.41Å; T401-L403 PolarHBondContact O-N 3.32Å; T401-L426 HydrophobicContact CG2-CD2 3.59Å; T401-Y491 WeakPolarHBondContact O-CA 3.31Å; T401-Q492 PolarHBondContact N-O 3.23Å; T401-Q492 PolarHBondContact O-N 3.01Å
402T89.4Confident81.3Confident52 Ų5258.3 Ų58.332%0.31931%0.313SS..EExtended strand (participates in β ladder)trans-70.2127.9175.5-530000110.1Y404 E489T402-Y404 HydrophobicContact CG2-CE2 3.82Å; T402-E489 HydrophobicContact CG2-CG 4.05Å; T402-E489 WeakPolarHBondContact CG2-OE1 3.33Å
403L90.9Very high83.4Confident10 Ų1051.4 Ų51.45%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-121.1153.7178.2-63.8-179000109.9T401 L426 C490 Q492 V502T401-L403 HydrophobicContact CG2-CD2 4.41Å; T401-L403 PolarHBondContact O-N 3.32Å; L403-L426 HydrophobicContact CD2-CD2 3.71Å; L403-L426 HydrophobicContact CD2-CG 4.07Å; L403-C490 HydrophobicContact CB-CB 4.28Å; L403-C490 PolarHBondContact N-O 3.4Å; L403-C490 CarbonylContact O-C 3.54Å; L403-C490 WeakPolarHBondContact O-CA 3.19Å; L403-C490 PolarHBondContact O-N 2.78Å; L403-Q492 HydrophobicContact CD1-CB 3.79Å; L403-Q492 HydrophobicContact CG-CB 4.32Å; L403-V502 HydrophobicContact CD1-CG2 4.43Å
404Y90.8Very high85Confident43 Ų4345.2 Ų45.217%0.16924%0.242CC..EExtended strand (participates in β ladder)trans-117.7135.6173.8-72.1-98.9000109.2T402 T424 M425 P427 L484 M487 E489T402-Y404 HydrophobicContact CG2-CE2 3.82Å; Y404-T424 WeakPolarHBondContact O-CA 3.35Å; Y404-M425 PolarHBondContact N-O 3.01Å; Y404-M425 PolarHBondContact O-N 3.47Å; Y404-P427 HydrophobicContact CD2-CG 3.94Å; Y404-P427 HydrophobicContact CE2-CG 3.87Å; Y404-L484 HydrophobicContact CD1-CB 4.27Å; Y404-L484 HydrophobicContact CD1-CD2 3.85Å; Y404-L484 HydrophobicContact CD2-CD2 3.81Å; Y404-L484 HydrophobicContact CE1-CB 3.87Å; Y404-L484 HydrophobicContact CE1-CD2 4.04Å; Y404-L484 WeakPolarHBondContact CE1-O 3.35Å; Y404-L484 HydrophobicContact CE2-CD2 4.05Å; Y404-L484 HydrophobicContact CG-CD2 3.72Å; Y404-M487 HydrophobicContact CD1-CB 3.9Å; Y404-M487 HydrophobicContact CG-CB 4.5Å; Y404-E489 HydrophobicContact CE1-CB 4.36Å
405S90.3Very high85.9Confident5 Ų545.7 Ų45.74%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-109.5136.7178.260.50000111.8S407 T423 Q488S405-S407 PolarHBondContact O-N 2.89Å; S405-S407 VanDerWaalsContact O-N 3.15Å; S405-T423 WeakPolarHBondContact CA-O 3.37Å; S405-Q488 PolarHBondContact N-O 3.12Å; S405-Q488 PolarHBondContact O-N 3.06Å; S405-Q488 WeakPolarHBondContact OG-CB 3.36Å; S405-Q488 PolarHBondContact OG-O 2.7Å
406V90.4Very high86.1Confident3 Ų347 Ų472%0.01825%0.25CC..  trans-61.6116.8-176.6-179.50000109.8E411 F414 K419 K421 G422 T423 M425 M487V406-E411 HydrophobicContact CG1-CB 4.43Å; V406-F414 HydrophobicContact CB-CD2 4.48Å; V406-F414 HydrophobicContact CG1-CB 4.26Å; V406-F414 HydrophobicContact CG1-CD2 3.74Å; V406-F414 HydrophobicContact CG1-CE2 4.4Å; V406-F414 HydrophobicContact CG1-CG 4.14Å; V406-F414 HydrophobicContact CG2-CB 4.39Å; V406-F414 HydrophobicContact CG2-CD1 4.09Å; V406-F414 HydrophobicContact CG2-CD2 3.99Å; V406-F414 HydrophobicContact CG2-CE1 4.38Å; V406-F414 HydrophobicContact CG2-CE2 4.29Å; V406-F414 HydrophobicContact CG2-CG 3.89Å; V406-F414 HydrophobicContact CG2-CZ 4.48Å; V406-K419 HydrophobicContact CG2-CB 4.27Å; V406-K421 WeakPolarHBondContact O-CA 3.31Å; V406-G422 PolarHBondContact O-N 3.34Å; V406-T423 PolarHBondContact N-O 2.87Å; V406-T423 VanDerWaalsContact N-O 3.11Å; V406-M425 HydrophobicContact CG2-CE 3.5Å; V406-M425 VanDerWaalsContact CG2-CE 3.5Å; V406-M487 HydrophobicContact CG2-CE 4.13Å
407S87.8Confident86.4Confident27 Ų2743 Ų4319%0.18924%0.236CC..  trans-81.9154.1174.572.60000110.6S405 R409 L410 E411 R486S405-S407 PolarHBondContact O-N 2.89Å; S405-S407 VanDerWaalsContact O-N 3.15Å; S407-R409 PolarHBondContact O-N 3.44Å; S407-R409 VanDerWaalsContact O-N 3.11Å; S407-L410 PolarHBondContact O-N 2.81Å; S407-L410 WeakPolarHBondContact OG-CG 3.18Å; S407-E411 PolarHBondContact O-N 3.01Å; S407-R486 WeakPolarHBondContact CB-O 3.39Å; S407-R486 PolarHBondContact OG-O 2.85Å
408A86.3Confident86.8Confident57 Ų5747.7 Ų47.747%0.47126%0.258SS..THydrogen-bonded Turntrans-61.7-22.4-175.200000114.2K421A408-K421 HydrophobicContact CB-CD 3.85Å; A408-K421 HydrophobicContact CB-CG 4.43Å
409R84.4Confident86.8Confident113 Ų11350.9 Ų50.943%0.42627%0.271SS..THydrogen-bonded Turntrans-74.4-38.1175.2-175.3-169.1-84.1-132.716.3111.5S407 P412 D460 C461S407-R409 PolarHBondContact O-N 3.44Å; S407-R409 VanDerWaalsContact O-N 3.11Å; R409-P412 WeakPolarHBondContact O-CD 3.42Å; R409-D460 WeakPolarHBondContact CD-O 3.15Å; R409-D460 PolarHBondContact NH1-O 2.86Å; R409-C461 WeakPolarHBondContact CD-O 3.36Å; R409-C461 PolarHBondContact O-SG 2.94Å
410L86.6Confident86.9Confident0 Ų053.9 Ų53.90%028%0.276CS..THydrogen-bonded Turntrans-85.7-12.3-174.4-61.1178.9000113.8S407 P412 L413 F414 C461 L462 T483 R486 M487S407-L410 PolarHBondContact O-N 2.81Å; S407-L410 WeakPolarHBondContact OG-CG 3.18Å; L410-P412 VanDerWaalsContact C-N 3.25Å; L410-P412 VanDerWaalsContact O-N 3.07Å; L410-L413 HydrophobicContact CD2-CD1 4.29Å; L410-L413 WeakPolarHBondContact O-CB 3.48Å; L410-L413 PolarHBondContact O-N 3.48Å; L410-F414 HydrophobicContact CB-CD2 4.15Å; L410-F414 HydrophobicContact CB-CE2 4.01Å; L410-F414 HydrophobicContact CD1-CE2 4.47Å; L410-F414 WeakPolarHBondContact O-CD2 3.25Å; L410-C461 HydrophobicContact CD2-CB 3.76Å; L410-C461 WeakPolarHBondContact CD2-O 3.45Å; L410-L462 HydrophobicContact CD2-CD2 3.79Å; L410-T483 HydrophobicContact CD1-CG2 4.36Å; L410-R486 HydrophobicContact CD1-CB 3.79Å; L410-R486 HydrophobicContact CD2-CB 3.91Å; L410-R486 HydrophobicContact CG-CB 4.11Å; L410-M487 HydrophobicContact CD1-CB 4.23Å; L410-M487 HydrophobicContact CD1-CG 3.3Å
411E86.8Confident86.8Confident56 Ų5659.2 Ų59.226%0.26230%0.299SS..Hα-helixtrans-44.3-39.6-178.4-170.2154.9-140.300114.4V406 S407 L413 F414 L415 K421V406-E411 HydrophobicContact CG1-CB 4.43Å; S407-E411 PolarHBondContact O-N 3.01Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.19Å; E411-F414 PolarHBondContact O-N 3.3Å; E411-L415 PolarHBondContact O-N 3.03Å; E411-K421 WeakPolarHBondContact OE1-CB 3.33Å; E411-K421 PolarHBondContact OE1-N 2.91Å
412P87.3Confident86.5Confident60 Ų6059.7 Ų59.739%0.3931%0.312SS..Hα-helixtrans-56.3-33.7173.7-27.937.8000115.8R409 L410 F414 T457R409-P412 WeakPolarHBondContact O-CD 3.42Å; L410-P412 VanDerWaalsContact C-N 3.25Å; L410-P412 VanDerWaalsContact O-N 3.07Å; P412-F414 VanDerWaalsContact C-N 3.26Å; P412-F414 PolarHBondContact O-N 2.8Å; P412-T457 HydrophobicContact CB-CG2 3.68Å
413L86.1Confident86.4Confident0 Ų059.8 Ų59.80%031%0.312CS..Hα-helixtrans-76.4-14.9177.9-56.7178.1000112.8L410 E411 I434 Y437 T457 L458 C461L410-L413 HydrophobicContact CD2-CD1 4.29Å; L410-L413 WeakPolarHBondContact O-CB 3.48Å; L410-L413 PolarHBondContact O-N 3.48Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.19Å; L413-I434 HydrophobicContact CB-CD1 4.15Å; L413-I434 HydrophobicContact CD1-CD1 4.06Å; L413-Y437 HydrophobicContact CD2-CD1 4.09Å; L413-Y437 HydrophobicContact CD2-CD2 4.49Å; L413-Y437 HydrophobicContact CD2-CE1 3.64Å; L413-Y437 HydrophobicContact CD2-CE2 4.08Å; L413-T457 HydrophobicContact CD2-CG2 3.75Å; L413-L458 HydrophobicContact CD1-CD2 3.94Å; L413-L458 HydrophobicContact CD2-CD2 3.72Å; L413-L458 HydrophobicContact CD2-CG 4.34Å; L413-C461 HydrophobicContact CD1-CB 3.7Å; L413-C461 HydrophobicContact CG-CB 4.18Å
414F88.8Confident86.3Confident0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-108.7-4.9-174.8-74.9-76.9000113.8V406 L410 E411 P412 D416 A417 N418 K419 M425 V430 I433 M487V406-F414 HydrophobicContact CB-CD2 4.48Å; V406-F414 HydrophobicContact CG1-CB 4.26Å; V406-F414 HydrophobicContact CG1-CD2 3.74Å; V406-F414 HydrophobicContact CG1-CE2 4.4Å; V406-F414 HydrophobicContact CG1-CG 4.14Å; V406-F414 HydrophobicContact CG2-CB 4.39Å; V406-F414 HydrophobicContact CG2-CD1 4.09Å; V406-F414 HydrophobicContact CG2-CD2 3.99Å; V406-F414 HydrophobicContact CG2-CE1 4.38Å; V406-F414 HydrophobicContact CG2-CE2 4.29Å; V406-F414 HydrophobicContact CG2-CG 3.89Å; V406-F414 HydrophobicContact CG2-CZ 4.48Å; L410-F414 HydrophobicContact CB-CD2 4.15Å; L410-F414 HydrophobicContact CB-CE2 4.01Å; L410-F414 HydrophobicContact CD1-CE2 4.47Å; L410-F414 WeakPolarHBondContact O-CD2 3.25Å; E411-F414 PolarHBondContact O-N 3.3Å; P412-F414 VanDerWaalsContact C-N 3.26Å; P412-F414 PolarHBondContact O-N 2.8Å; F414-D416 PolarHBondContact O-N 3.42Å; F414-A417 PolarHBondContact O-N 3.11Å; F414-N418 PolarHBondContact O-N 3.13Å; F414-K419 HydrophobicContact CB-CB 4.2Å; F414-K419 HydrophobicContact CD1-CB 4.38Å; F414-K419 PolarHBondContact O-N 3.5Å; F414-K419 VanDerWaalsContact O-N 3.17Å; F414-M425 HydrophobicContact CD1-CE 4.19Å; F414-M425 HydrophobicContact CD1-SD 4.22Å; F414-M425 HydrophobicContact CE1-CE 4.12Å; F414-M425 HydrophobicContact CE1-SD 3.62Å; F414-M425 HydrophobicContact CZ-SD 4.38Å; F414-V430 HydrophobicContact CZ-CG1 4.3Å; F414-I433 HydrophobicContact CD1-CD1 4.17Å; F414-I433 HydrophobicContact CD1-CG2 3.85Å; F414-I433 HydrophobicContact CE1-CB 4.4Å; F414-I433 HydrophobicContact CE1-CD1 4.12Å; F414-I433 HydrophobicContact CE1-CG2 4.02Å; F414-M487 HydrophobicContact CE1-CE 4.43Å; F414-M487 HydrophobicContact CE2-CE 4.25Å; F414-M487 HydrophobicContact CE2-SD 4.34Å; F414-M487 HydrophobicContact CZ-CE 3.78Å; F414-M487 HydrophobicContact CZ-SD 3.89Å
415L84.9Confident86.4Confident111 Ų11160.5 Ų60.558%0.58132%0.321SS*.THydrogen-bonded Turntrans-55.1-47.8177.5-69.8175.8000112.3E411 A417 N418E411-L415 PolarHBondContact O-N 3.03Å; L415-A417 VanDerWaalsContact C-N 3.26Å; L415-A417 PolarHBondContact O-N 3Å; L415-N418 WeakPolarHBondContact O-CA 3.49Å; L415-N418 PolarHBondContact O-N 3.3Å
416D81.1Confident86.5Confident86 Ų8663.7 Ų63.746%0.4634%0.337SS..THydrogen-bonded Turntrans-60.9-34.7-179.6-79.5-27.2000112.8F414 N418 K440F414-D416 PolarHBondContact O-N 3.42Å; D416-N418 PolarHBondContact O-N 2.99Å; D416-K440 IonicContact OD1-NZ 2.7Å; D416-K440 PolarHBondContact OD1-NZ 3.2Å; D416-K440 WeakPolarHBondContact OD2-CD 3.48Å; D416-K440 IonicContact OD2-NZ 2.76Å; D416-K440 PolarHBondContact OD2-NZ 3.18Å
417A82.1Confident86.5Confident26 Ų2665.1 Ų65.122%0.21535%0.346CS..THydrogen-bonded Turntrans-82.56.1176.400000113.5F414 L415 K419 I433F414-A417 PolarHBondContact O-N 3.11Å; L415-A417 VanDerWaalsContact C-N 3.26Å; L415-A417 PolarHBondContact O-N 3Å; A417-K419 HydrophobicContact CB-CG 3.92Å; A417-K419 WeakPolarHBondContact O-CD 3.44Å; A417-K419 WeakPolarHBondContact O-CE 3.48Å; A417-K419 WeakPolarHBondContact O-CG 3.2Å; A417-K419 PolarHBondContact O-N 3.12Å; A417-K419 VanDerWaalsContact O-N 3.14Å; A417-I433 HydrophobicContact CB-CB 4.46Å; A417-I433 HydrophobicContact CB-CD1 3.85Å; A417-I433 HydrophobicContact CB-CG1 3.84Å; A417-I433 HydrophobicContact CB-CG2 3.77Å
418N84Confident86.6Confident144 Ų14466.9 Ų66.977%0.7736%0.363SS*.THydrogen-bonded Turntrans52.327.2-173.8-77.8-77.9000114.3F414 L415 D416F414-N418 PolarHBondContact O-N 3.13Å; L415-N418 WeakPolarHBondContact O-CA 3.49Å; L415-N418 PolarHBondContact O-N 3.3Å; D416-N418 PolarHBondContact O-N 2.99Å
419K85.1Confident86.9Confident83 Ų8367.4 Ų67.436%0.36136%0.357SS..  trans-95.4125.9177.6-44.8-62.4178.3175.90109.2V406 F414 A417 T423 M425 I433V406-K419 HydrophobicContact CG2-CB 4.27Å; F414-K419 HydrophobicContact CB-CB 4.2Å; F414-K419 HydrophobicContact CD1-CB 4.38Å; F414-K419 PolarHBondContact O-N 3.5Å; F414-K419 VanDerWaalsContact O-N 3.17Å; A417-K419 HydrophobicContact CB-CG 3.92Å; A417-K419 WeakPolarHBondContact O-CD 3.44Å; A417-K419 WeakPolarHBondContact O-CE 3.48Å; A417-K419 WeakPolarHBondContact O-CG 3.2Å; A417-K419 PolarHBondContact O-N 3.12Å; A417-K419 VanDerWaalsContact O-N 3.14Å; K419-T423 HydrophobicContact CB-CG2 4.4Å; K419-T423 HydrophobicContact CD-CG2 4.15Å; K419-M425 HydrophobicContact CB-CE 3.81Å; K419-M425 HydrophobicContact CD-CE 4.27Å; K419-M425 HydrophobicContact CG-CE 3.72Å; K419-I433 HydrophobicContact CG-CD1 4.3Å
420R85.8Confident87.2Confident194 Ų19462 Ų6273%0.73234%0.337SS*.  trans-97.7165.1-179.5-62.1-177.7-176.2175.31.1110.6G422 T423R420-G422 PolarHBondContact O-N 2.9Å; R420-T423 PolarHBondContact N-OG1 2.83Å; R420-T423 WeakPolarHBondContact O-CB 3.37Å; R420-T423 PolarHBondContact O-N 2.86Å; R420-T423 PolarHBondContact O-OG1 3.46Å; R420-T423 VanDerWaalsContact O-OG1 3.1Å
421K85.3Confident87.5Confident135 Ų13567.6 Ų67.659%0.58736%0.358SS*.THydrogen-bonded Turntrans-43.9125.4170.2177.7-177177.4176.90111.6V406 A408 E411V406-K421 WeakPolarHBondContact O-CA 3.31Å; A408-K421 HydrophobicContact CB-CD 3.85Å; A408-K421 HydrophobicContact CB-CG 4.43Å; E411-K421 WeakPolarHBondContact OE1-CB 3.33Å; E411-K421 PolarHBondContact OE1-N 2.91Å
422G82.7Confident87.8Confident49 Ų4968.5 Ų68.551%0.50537%0.371SS..THydrogen-bonded Turntrans86.5-6.4179.400000116V406 R420 T424V406-G422 PolarHBondContact O-N 3.34Å; R420-G422 PolarHBondContact O-N 2.9Å; G422-T424 PolarHBondContact O-N 3.43Å
423T87.8Confident88Confident54 Ų5466.6 Ų66.633%0.33136%0.357SS..  trans-63.4127167.8-58.30000109.9S405 V406 K419 R420 M425S405-T423 WeakPolarHBondContact CA-O 3.37Å; V406-T423 PolarHBondContact N-O 2.87Å; V406-T423 VanDerWaalsContact N-O 3.11Å; K419-T423 HydrophobicContact CB-CG2 4.4Å; K419-T423 HydrophobicContact CD-CG2 4.15Å; R420-T423 PolarHBondContact N-OG1 2.83Å; R420-T423 WeakPolarHBondContact O-CB 3.37Å; R420-T423 PolarHBondContact O-N 2.86Å; R420-T423 PolarHBondContact O-OG1 3.46Å; R420-T423 VanDerWaalsContact O-OG1 3.1Å; T423-M425 HydrophobicContact CG2-CE 4.34Å
424T89.1Confident88.3Confident57 Ų5766.6 Ų66.635%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-89.7144.4174.943.90000112Y404 G422 C490 V502Y404-T424 WeakPolarHBondContact O-CA 3.35Å; G422-T424 PolarHBondContact O-N 3.43Å; T424-C490 HydrophobicContact CG2-CB 4.47Å; T424-V502 HydrophobicContact CG2-CG1 4.27Å
425M91.5Very high88.4Confident10 Ų1068.2 Ų68.25%0.04937%0.367CS..EExtended strand (participates in β ladder)trans-154.5166.2179.563.1-168.170.200111.5Y404 V406 F414 K419 T423 D429 V430 I433 M487Y404-M425 PolarHBondContact N-O 3.01Å; Y404-M425 PolarHBondContact O-N 3.47Å; V406-M425 HydrophobicContact CG2-CE 3.5Å; V406-M425 VanDerWaalsContact CG2-CE 3.5Å; F414-M425 HydrophobicContact CD1-CE 4.19Å; F414-M425 HydrophobicContact CD1-SD 4.22Å; F414-M425 HydrophobicContact CE1-CE 4.12Å; F414-M425 HydrophobicContact CE1-SD 3.62Å; F414-M425 HydrophobicContact CZ-SD 4.38Å; K419-M425 HydrophobicContact CB-CE 3.81Å; K419-M425 HydrophobicContact CD-CE 4.27Å; K419-M425 HydrophobicContact CG-CE 3.72Å; T423-M425 HydrophobicContact CG2-CE 4.34Å; M425-D429 HydrophobicContact CB-CB 4.01Å; M425-D429 HydrophobicContact CG-CB 4.39Å; M425-V430 HydrophobicContact CG-CG2 3.69Å; M425-V430 HydrophobicContact SD-CG2 3.79Å; M425-I433 HydrophobicContact SD-CD1 3.91Å; M425-M487 HydrophobicContact CG-CE 4.29Å; M425-M487 HydrophobicContact SD-CE 4.18Å
426L92.2Very high88.8Confident73 Ų7368.9 Ų68.938%0.38237%0.367SS..  trans-77.7157.2178.4-70.6162.5000111.6T401 L403 A428 D429 V430T401-L426 HydrophobicContact CG2-CD2 3.59Å; L403-L426 HydrophobicContact CD2-CD2 3.71Å; L403-L426 HydrophobicContact CD2-CG 4.07Å; L426-A428 PolarHBondContact O-N 2.93Å; L426-A428 VanDerWaalsContact O-N 3.17Å; L426-D429 WeakPolarHBondContact CB-OD2 3.49Å; L426-D429 PolarHBondContact N-OD2 3.13Å; L426-D429 WeakPolarHBondContact O-CB 3.46Å; L426-D429 PolarHBondContact O-N 2.87Å; L426-V430 PolarHBondContact O-N 3.29Å; L426-V430 VanDerWaalsContact O-N 3.14Å
427P90.3Very high89.2Confident33 Ų3365.5 Ų65.521%0.21435%0.348CS..Hα-helixtrans-59.4-26173.9-22.332.6000113.8Y404 R431Y404-P427 HydrophobicContact CD2-CG 3.94Å; Y404-P427 HydrophobicContact CE2-CG 3.87Å; P427-R431 WeakPolarHBondContact O-CG 3.21Å; P427-R431 PolarHBondContact O-N 3.27Å
428A91.7Very high89.6Confident64 Ų6464.3 Ų64.353%0.52934%0.338SS..Hα-helixtrans-68.7-45.1173.500000111.6L426 V430 R431 S432L426-A428 PolarHBondContact O-N 2.93Å; L426-A428 VanDerWaalsContact O-N 3.17Å; A428-V430 VanDerWaalsContact C-N 3.35Å; A428-V430 PolarHBondContact O-N 3.25Å; A428-R431 PolarHBondContact O-N 3.16Å; A428-S432 PolarHBondContact O-N 3.48Å
429D91.6Very high89.9Confident67 Ų6764 Ų6436%0.35833%0.33SS..Hα-helixtrans-60.3-45177.6-47.9-23.2000110.9M425 L426 R431 S432 I433M425-D429 HydrophobicContact CB-CB 4.01Å; M425-D429 HydrophobicContact CG-CB 4.39Å; L426-D429 WeakPolarHBondContact CB-OD2 3.49Å; L426-D429 PolarHBondContact N-OD2 3.13Å; L426-D429 WeakPolarHBondContact O-CB 3.46Å; L426-D429 PolarHBondContact O-N 2.87Å; D429-R431 PolarHBondContact O-N 3.22Å; D429-S432 WeakPolarHBondContact O-CB 3.29Å; D429-S432 PolarHBondContact O-N 2.84Å; D429-I433 VanDerWaalsContact O-CG1 3.3Å; D429-I433 WeakPolarHBondContact O-CG1 3.28Å; D429-I433 PolarHBondContact O-N 3.27Å
430V91.3Very high90.2Very high0 Ų066.2 Ų66.20%034%0.339CS..Hα-helixtrans-56.9-49175.7178.30000110.7F414 M425 L426 A428 S432 I433 I434 T483 L484 M487F414-V430 HydrophobicContact CZ-CG1 4.3Å; M425-V430 HydrophobicContact CG-CG2 3.69Å; M425-V430 HydrophobicContact SD-CG2 3.79Å; L426-V430 PolarHBondContact O-N 3.29Å; L426-V430 VanDerWaalsContact O-N 3.14Å; A428-V430 VanDerWaalsContact C-N 3.35Å; A428-V430 PolarHBondContact O-N 3.25Å; V430-S432 VanDerWaalsContact C-N 3.31Å; V430-S432 PolarHBondContact O-N 2.67Å; V430-I433 PolarHBondContact O-N 2.96Å; V430-I434 HydrophobicContact CG1-CG1 4.32Å; V430-I434 WeakPolarHBondContact O-CB 3.34Å; V430-I434 VanDerWaalsContact O-CG1 3.29Å; V430-I434 WeakPolarHBondContact O-CG1 3.42Å; V430-I434 PolarHBondContact O-N 3.17Å; V430-T483 HydrophobicContact CG1-CG2 3.99Å; V430-L484 HydrophobicContact CB-CD2 4.08Å; V430-L484 HydrophobicContact CG1-CD2 3.91Å; V430-L484 HydrophobicContact CG2-CD2 4.1Å; V430-M487 HydrophobicContact CB-SD 4.4Å; V430-M487 HydrophobicContact CG1-SD 3.82Å; V430-M487 HydrophobicContact CG2-CE 3.83Å; V430-M487 HydrophobicContact CG2-SD 3.59Å; V430-M487 VanDerWaalsContact CG2-SD 3.59Å
431R92.6Very high90.3Very high117 Ų11760 Ų6044%0.44232%0.321SS..Hα-helixtrans-61.2-40.1177.8-73.2177.2176.2129.3-2.6111.9P427 A428 D429 T435 F480P427-R431 WeakPolarHBondContact O-CG 3.21Å; P427-R431 PolarHBondContact O-N 3.27Å; A428-R431 PolarHBondContact O-N 3.16Å; D429-R431 PolarHBondContact O-N 3.22Å; R431-T435 VanDerWaalsContact O-CB 3.27Å; R431-T435 WeakPolarHBondContact O-CB 3.49Å; R431-T435 PolarHBondContact O-N 3.22Å; R431-T435 PolarHBondContact O-OG1 3.04Å; R431-F480 HydrophobicContact CB-CD1 4.21Å; R431-F480 HydrophobicContact CB-CE1 3.97Å; R431-F480 HydrophobicContact CB-CZ 4.24Å; R431-F480 HydrophobicContact CG-CB 4.35Å; R431-F480 HydrophobicContact CG-CD1 3.74Å; R431-F480 HydrophobicContact CG-CD2 4.16Å; R431-F480 HydrophobicContact CG-CE1 3.99Å; R431-F480 HydrophobicContact CG-CE2 4.39Å; R431-F480 HydrophobicContact CG-CG 3.84Å; R431-F480 HydrophobicContact CG-CZ 4.3Å
432S93.1Very high90.5Very high75 Ų7562 Ų6252%0.52433%0.332SS..Hα-helixtrans-62.5-52.1177.1-161.70000111.5A428 D429 V430 I434 T435 E436A428-S432 PolarHBondContact O-N 3.48Å; D429-S432 WeakPolarHBondContact O-CB 3.29Å; D429-S432 PolarHBondContact O-N 2.84Å; V430-S432 VanDerWaalsContact C-N 3.31Å; V430-S432 PolarHBondContact O-N 2.67Å; S432-I434 PolarHBondContact O-N 2.96Å; S432-T435 WeakPolarHBondContact O-CB 3.32Å; S432-T435 PolarHBondContact O-N 2.97Å; S432-T435 VanDerWaalsContact O-N 3.15Å; S432-E436 PolarHBondContact O-N 3.43Å
433I91.6Very high90.8Very high20 Ų2060.7 Ų60.710%0.10331%0.313CS..Hα-helixtrans-61.1-44.2-179.3-66.6163.7000111.4F414 A417 K419 M425 D429 V430 T435 E436 Y437F414-I433 HydrophobicContact CD1-CD1 4.17Å; F414-I433 HydrophobicContact CD1-CG2 3.85Å; F414-I433 HydrophobicContact CE1-CB 4.4Å; F414-I433 HydrophobicContact CE1-CD1 4.12Å; F414-I433 HydrophobicContact CE1-CG2 4.02Å; A417-I433 HydrophobicContact CB-CB 4.46Å; A417-I433 HydrophobicContact CB-CD1 3.85Å; A417-I433 HydrophobicContact CB-CG1 3.84Å; A417-I433 HydrophobicContact CB-CG2 3.77Å; K419-I433 HydrophobicContact CG-CD1 4.3Å; M425-I433 HydrophobicContact SD-CD1 3.91Å; D429-I433 VanDerWaalsContact O-CG1 3.3Å; D429-I433 WeakPolarHBondContact O-CG1 3.28Å; D429-I433 PolarHBondContact O-N 3.27Å; V430-I433 PolarHBondContact O-N 2.96Å; I433-T435 VanDerWaalsContact C-N 3.35Å; I433-T435 PolarHBondContact O-N 2.92Å; I433-E436 PolarHBondContact O-N 3.28Å; I433-Y437 WeakPolarHBondContact O-CB 3.15Å; I433-Y437 PolarHBondContact O-N 3.07Å
434I91.8Very high90.9Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-67.3-36.1177.3-64.7-65.1000111.4L413 V430 S432 Y437 V438 L479 F480 T483L413-I434 HydrophobicContact CB-CD1 4.15Å; L413-I434 HydrophobicContact CD1-CD1 4.06Å; V430-I434 HydrophobicContact CG1-CG1 4.32Å; V430-I434 WeakPolarHBondContact O-CB 3.34Å; V430-I434 VanDerWaalsContact O-CG1 3.29Å; V430-I434 WeakPolarHBondContact O-CG1 3.42Å; V430-I434 PolarHBondContact O-N 3.17Å; S432-I434 PolarHBondContact O-N 2.96Å; I434-Y437 PolarHBondContact O-N 2.8Å; I434-V438 HydrophobicContact CG2-CG2 4.47Å; I434-V438 WeakPolarHBondContact O-CB 3.42Å; I434-V438 VanDerWaalsContact O-CG2 3.32Å; I434-V438 WeakPolarHBondContact O-CG2 3.37Å; I434-V438 PolarHBondContact O-N 3.33Å; I434-L479 HydrophobicContact CG2-CD2 3.71Å; I434-L479 HydrophobicContact CG2-CG 4.23Å; I434-F480 HydrophobicContact CB-CD1 4.42Å; I434-F480 HydrophobicContact CB-CE1 4.16Å; I434-F480 HydrophobicContact CG2-CD1 4.19Å; I434-F480 HydrophobicContact CG2-CE1 4Å; I434-T483 HydrophobicContact CD1-CG2 3.97Å; I434-T483 HydrophobicContact CG1-CG2 4.02Å
435T91.8Very high90.8Very high34 Ų3459.5 Ų59.521%0.20930%0.304CS..Hα-helixtrans-65.8-39174.3-58.20000111.8R431 S432 I433 K439 W476R431-T435 VanDerWaalsContact O-CB 3.27Å; R431-T435 WeakPolarHBondContact O-CB 3.49Å; R431-T435 PolarHBondContact O-N 3.22Å; R431-T435 PolarHBondContact O-OG1 3.04Å; S432-T435 WeakPolarHBondContact O-CB 3.32Å; S432-T435 PolarHBondContact O-N 2.97Å; S432-T435 VanDerWaalsContact O-N 3.15Å; I433-T435 VanDerWaalsContact C-N 3.35Å; I433-T435 PolarHBondContact O-N 2.92Å; T435-K439 HydrophobicContact CG2-CD 4.15Å; T435-K439 WeakPolarHBondContact O-CB 3.33Å; T435-K439 WeakPolarHBondContact O-CD 3.49Å; T435-K439 VanDerWaalsContact O-CG 3.25Å; T435-K439 WeakPolarHBondContact O-CG 3.37Å; T435-K439 PolarHBondContact O-N 3.01Å; T435-K439 VanDerWaalsContact O-N 3.11Å; T435-W476 HydrophobicContact CG2-CH2 4.22Å; T435-W476 HydrophobicContact CG2-CZ3 4.39Å
436E91.9Very high90.5Very high125 Ų12567.8 Ų67.858%0.58434%0.343SS*.Hα-helixtrans-66.8-45.9175.2-173.5169.4-159.100111.3S432 I433 V438 K439 K440S432-E436 PolarHBondContact O-N 3.43Å; I433-E436 PolarHBondContact O-N 3.28Å; E436-V438 PolarHBondContact O-N 3.1Å; E436-K439 PolarHBondContact O-N 3.38Å; E436-K440 VanDerWaalsContact O-CB 3.27Å; E436-K440 WeakPolarHBondContact O-CB 3.37Å; E436-K440 PolarHBondContact O-N 3.05Å
437Y90.6Very high90.1Very high16 Ų1671.7 Ų71.76%0.06336%0.364CS..Hα-helixtrans-56.8-49.5174.5-179.8-90.5000112.3L413 I433 I434 K439 K440 N441 L443 N455 T457 L458L413-Y437 HydrophobicContact CD2-CD1 4.09Å; L413-Y437 HydrophobicContact CD2-CD2 4.49Å; L413-Y437 HydrophobicContact CD2-CE1 3.64Å; L413-Y437 HydrophobicContact CD2-CE2 4.08Å; I433-Y437 WeakPolarHBondContact O-CB 3.15Å; I433-Y437 PolarHBondContact O-N 3.07Å; I434-Y437 PolarHBondContact O-N 2.8Å; Y437-K439 PolarHBondContact O-N 3.32Å; Y437-K440 PolarHBondContact O-N 3.02Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.41Å; Y437-N441 PolarHBondContact O-N 2.91Å; Y437-N441 VanDerWaalsContact O-N 3.08Å; Y437-N441 PolarHBondContact O-ND2 3.33Å; Y437-L443 HydrophobicContact CE1-CD1 4.18Å; Y437-N455 PolarHBondContact OH-ND2 2.85Å; Y437-T457 WeakPolarHBondContact OH-CB 3.22Å; Y437-L458 HydrophobicContact CE1-CD1 4.48Å; Y437-L458 HydrophobicContact CE1-CD2 4.25Å; Y437-L458 HydrophobicContact CE1-CG 4.13Å
438V90.9Very high90Very high0 Ų073.4 Ų73.40%037%0.372CS..Hα-helixtrans-62.2-41.3179.7163.90000111.7I434 E436 E442 L443 V444 V452 W476 L479I434-V438 HydrophobicContact CG2-CG2 4.47Å; I434-V438 WeakPolarHBondContact O-CB 3.42Å; I434-V438 VanDerWaalsContact O-CG2 3.32Å; I434-V438 WeakPolarHBondContact O-CG2 3.37Å; I434-V438 PolarHBondContact O-N 3.33Å; E436-V438 PolarHBondContact O-N 3.1Å; V438-E442 PolarHBondContact O-N 3.19Å; V438-L443 HydrophobicContact CG1-CB 4.2Å; V438-L443 PolarHBondContact O-N 3.33Å; V438-V444 HydrophobicContact CG1-CG2 3.69Å; V438-V452 HydrophobicContact CB-CG1 4.45Å; V438-V452 HydrophobicContact CG1-CG1 3.79Å; V438-V452 HydrophobicContact CG1-CG2 3.94Å; V438-V452 HydrophobicContact CG2-CG1 3.74Å; V438-W476 HydrophobicContact CB-CH2 3.73Å; V438-W476 HydrophobicContact CB-CZ3 4.14Å; V438-W476 HydrophobicContact CG1-CH2 3.34Å; V438-W476 HydrophobicContact CG1-CZ2 3.81Å; V438-W476 HydrophobicContact CG1-CZ3 4.11Å; V438-W476 HydrophobicContact CG2-CH2 4.29Å; V438-W476 HydrophobicContact CG2-CZ3 4.26Å; V438-L479 HydrophobicContact CG2-CD2 3.92Å
439K90.1Very high89.8Confident138 Ų13877.9 Ų77.960%0.638%0.379SS*.Hα-helixtrans-66.9-44.7176.2-74.3170.7-178.8174.50112.4T435 E436 Y437 N441 E442T435-K439 HydrophobicContact CG2-CD 4.15Å; T435-K439 WeakPolarHBondContact O-CB 3.33Å; T435-K439 WeakPolarHBondContact O-CD 3.49Å; T435-K439 VanDerWaalsContact O-CG 3.25Å; T435-K439 WeakPolarHBondContact O-CG 3.37Å; T435-K439 PolarHBondContact O-N 3.01Å; T435-K439 VanDerWaalsContact O-N 3.11Å; E436-K439 PolarHBondContact O-N 3.38Å; Y437-K439 PolarHBondContact O-N 3.32Å; K439-N441 VanDerWaalsContact C-N 3.27Å; K439-N441 PolarHBondContact O-N 3.3Å; K439-E442 PolarHBondContact O-N 3.29Å; K439-E442 VanDerWaalsContact O-N 3.11Å
440K90.3Very high89.6Confident130 Ų13080.1 Ų80.157%0.56539%0.391SS*.Hα-helixtrans-64.1-31.4-178.5-178.9-176.5170.1-168.90112.9D416 E436 Y437D416-K440 IonicContact OD1-NZ 2.7Å; D416-K440 PolarHBondContact OD1-NZ 3.2Å; D416-K440 WeakPolarHBondContact OD2-CD 3.48Å; D416-K440 IonicContact OD2-NZ 2.76Å; D416-K440 PolarHBondContact OD2-NZ 3.18Å; E436-K440 VanDerWaalsContact O-CB 3.27Å; E436-K440 WeakPolarHBondContact O-CB 3.37Å; E436-K440 PolarHBondContact O-N 3.05Å; Y437-K440 PolarHBondContact O-N 3.02Å
441N89Confident89.6Confident63 Ų6383.7 Ų83.734%0.33741%0.405SS..THydrogen-bonded Turntrans-95.89.4177.3-66.5-91.9000112.7Y437 K439 L443Y437-N441 WeakPolarHBondContact CE2-ND2 3.41Å; Y437-N441 PolarHBondContact O-N 2.91Å; Y437-N441 VanDerWaalsContact O-N 3.08Å; Y437-N441 PolarHBondContact O-ND2 3.33Å; K439-N441 VanDerWaalsContact C-N 3.27Å; K439-N441 PolarHBondContact O-N 3.3Å; N441-L443 HydrophobicContact CB-CD1 3.81Å; N441-L443 HydrophobicContact CB-CD2 4.23Å; N441-L443 HydrophobicContact CB-CG 3.66Å; N441-L443 VanDerWaalsContact O-CD2 3.3Å; N441-L443 WeakPolarHBondContact O-CD2 3.5Å; N441-L443 WeakPolarHBondContact O-CG 3.31Å; N441-L443 PolarHBondContact O-N 3.45Å; N441-L443 VanDerWaalsContact O-N 3.16Å
442E88.6Confident89.5Confident176 Ų17678.1 Ų78.182%0.82238%0.384SS*.THydrogen-bonded Turntrans55.529.5178-56.8-174144.400114.5V438 K439 V444V438-E442 PolarHBondContact O-N 3.19Å; K439-E442 PolarHBondContact O-N 3.29Å; K439-E442 VanDerWaalsContact O-N 3.11Å; E442-V444 VanDerWaalsContact C-N 3.26Å; E442-V444 PolarHBondContact O-N 3.19Å
443L89.1Confident89.4Confident23 Ų2377.7 Ų77.712%0.1238%0.378CS..  trans-84.216.9-170.8-55177.1000114.7Y437 V438 N441 V452 T453 N455 L458Y437-L443 HydrophobicContact CE1-CD1 4.18Å; V438-L443 HydrophobicContact CG1-CB 4.2Å; V438-L443 PolarHBondContact O-N 3.33Å; N441-L443 HydrophobicContact CB-CD1 3.81Å; N441-L443 HydrophobicContact CB-CD2 4.23Å; N441-L443 HydrophobicContact CB-CG 3.66Å; N441-L443 VanDerWaalsContact O-CD2 3.3Å; N441-L443 WeakPolarHBondContact O-CD2 3.5Å; N441-L443 WeakPolarHBondContact O-CG 3.31Å; N441-L443 PolarHBondContact O-N 3.45Å; N441-L443 VanDerWaalsContact O-N 3.16Å; L443-V452 HydrophobicContact CB-CG1 4.14Å; L443-V452 CarbonylContact O-C 3.59Å; L443-V452 VanDerWaalsContact O-CA 3.27Å; L443-V452 WeakPolarHBondContact O-CA 3.29Å; L443-V452 WeakPolarHBondContact O-CG1 3.46Å; L443-T453 PolarHBondContact O-N 2.84Å; L443-N455 HydrophobicContact CD1-CB 3.95Å; L443-N455 HydrophobicContact CD2-CB 3.88Å; L443-L458 HydrophobicContact CD1-CD1 3.74Å
444V89.9Confident89.3Confident47 Ų4778 Ų7829%0.28538%0.38SS..BIsolated β-bridgetrans-90.5128178.7-177.10000109V438 E442 E446 K449 W476V438-V444 HydrophobicContact CG1-CG2 3.69Å; E442-V444 VanDerWaalsContact C-N 3.26Å; E442-V444 PolarHBondContact O-N 3.19Å; V444-E446 PolarHBondContact O-N 3.47Å; V444-K449 HydrophobicContact CG1-CB 4.17Å; V444-K449 HydrophobicContact CG1-CG 4.35Å; V444-W476 HydrophobicContact CG2-CZ2 4.01Å
445D88.1Confident89.3Confident38 Ų3879.2 Ų79.220%0.20339%0.386CS..  trans-60.7122.6-179.4-177.8-40.7000111N447 N448 K449 Y451D445-N447 VanDerWaalsContact C-N 3.27Å; D445-N447 PolarHBondContact O-N 2.86Å; D445-N447 WeakPolarHBondContact OD1-CA 3.5Å; D445-N447 WeakPolarHBondContact OD1-CB 3.5Å; D445-N447 PolarHBondContact OD1-N 3.12Å; D445-N448 CarbonylContact O-C 3.38Å; D445-N448 PolarHBondContact O-N 3.07Å; D445-N448 PolarHBondContact OD1-N 3.38Å; D445-K449 PolarHBondContact O-N 3.21Å; D445-Y451 PolarHBondContact N-O 2.88Å; D445-Y451 VanDerWaalsContact N-O 3.16Å
446E84.4Confident89.1Confident185 Ų18582.5 Ų82.586%0.86441%0.408SS*.SBendtrans-60.6-35.1-177.8-61.2-170.7141.300112.8V444V444-E446 PolarHBondContact O-N 3.47Å
447N83.1Confident88.9Confident154 Ų15478.7 Ų78.782%0.82439%0.394SS*.SBendtrans-83.7-32.8-178.8-55.2-82.3000111.2D445D445-N447 VanDerWaalsContact C-N 3.27Å; D445-N447 PolarHBondContact O-N 2.86Å; D445-N447 WeakPolarHBondContact OD1-CA 3.5Å; D445-N447 WeakPolarHBondContact OD1-CB 3.5Å; D445-N447 PolarHBondContact OD1-N 3.12Å
448N88.8Confident88.8Confident70 Ų7078 Ų7837%0.37439%0.391SS..  trans-14690.5-176-166.4-14.3000113.8D445 N450 Y451D445-N448 CarbonylContact O-C 3.38Å; D445-N448 PolarHBondContact O-N 3.07Å; D445-N448 PolarHBondContact OD1-N 3.38Å; N448-N450 PolarHBondContact O-N 2.93Å; N448-N450 PolarHBondContact OD1-N 2.73Å; N448-Y451 HydrophobicContact CB-CD2 4.1Å; N448-Y451 WeakPolarHBondContact ND2-CE2 3.49Å; N448-Y451 PolarHBondContact O-N 3.24Å
449K86.6Confident88.7Confident158 Ų15879 Ų7969%0.68740%0.398SS*.THydrogen-bonded Turntrans-55.4-9.8-178.2-56.7-177-178.6-1770116.5V444 D445 Y451 W476V444-K449 HydrophobicContact CG1-CB 4.17Å; V444-K449 HydrophobicContact CG1-CG 4.35Å; D445-K449 PolarHBondContact O-N 3.21Å; K449-Y451 VanDerWaalsContact C-N 3.28Å; K449-W476 PolarHBondContact O-NE1 3.17Å
450N89.1Confident88.5Confident113 Ų11376.8 Ų76.860%0.60439%0.393SS*.THydrogen-bonded Turntrans-78.2-12.2171.4-69.1-16.5000113.3N448 K475 W476N448-N450 PolarHBondContact O-N 2.93Å; N448-N450 PolarHBondContact OD1-N 2.73Å; N450-K475 WeakPolarHBondContact O-CA 3.31Å; N450-W476 VanDerWaalsContact O-CD1 3.3Å; N450-W476 PolarHBondContact O-N 3.48Å
451Y90.6Very high88.3Confident75 Ų7570.8 Ų70.829%0.29437%0.367SS..EExtended strand (participates in β ladder)trans-109.2152.4177.6-69.6-95.4000112.1D445 N448 K449 L474 K475D445-Y451 PolarHBondContact N-O 2.88Å; D445-Y451 VanDerWaalsContact N-O 3.16Å; N448-Y451 HydrophobicContact CB-CD2 4.1Å; N448-Y451 WeakPolarHBondContact ND2-CE2 3.49Å; N448-Y451 PolarHBondContact O-N 3.24Å; K449-Y451 VanDerWaalsContact C-N 3.28Å; Y451-L474 CarbonylContact C-O 3.6Å; Y451-L474 WeakPolarHBondContact CA-O 3.31Å; Y451-K475 HydrophobicContact CD1-CG 4.01Å; Y451-K475 HydrophobicContact CE1-CD 4.47Å; Y451-K475 HydrophobicContact CE1-CG 3.55Å; Y451-K475 HydrophobicContact CE2-CG 4.48Å; Y451-K475 WeakPolarHBondContact OH-CE 3.26Å
452V91.3Very high88.2Confident1 Ų167.9 Ų67.91%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-125.3125.4178.2176.70000108.1V438 L443 L458 S473 L474 W476 L479V438-V452 HydrophobicContact CB-CG1 4.45Å; V438-V452 HydrophobicContact CG1-CG1 3.79Å; V438-V452 HydrophobicContact CG1-CG2 3.94Å; V438-V452 HydrophobicContact CG2-CG1 3.74Å; L443-V452 HydrophobicContact CB-CG1 4.14Å; L443-V452 CarbonylContact O-C 3.59Å; L443-V452 VanDerWaalsContact O-CA 3.27Å; L443-V452 WeakPolarHBondContact O-CA 3.29Å; L443-V452 WeakPolarHBondContact O-CG1 3.46Å; V452-L458 HydrophobicContact CG1-CD1 4.35Å; V452-S473 CarbonylContact O-C 3.56Å; V452-S473 VanDerWaalsContact O-CA 3.26Å; V452-S473 WeakPolarHBondContact O-CA 3.22Å; V452-S473 WeakPolarHBondContact O-CB 3.24Å; V452-L474 PolarHBondContact N-O 3.08Å; V452-L474 PolarHBondContact O-N 3.19Å; V452-W476 HydrophobicContact CG2-CD2 3.75Å; V452-W476 HydrophobicContact CG2-CE3 4.08Å; V452-W476 HydrophobicContact CG2-CG 4.33Å; V452-W476 HydrophobicContact CG2-CH2 4.11Å; V452-W476 HydrophobicContact CG2-CZ2 3.74Å; V452-W476 HydrophobicContact CG2-CZ3 4.25Å; V452-L479 HydrophobicContact CB-CD2 4.36Å; V452-L479 HydrophobicContact CG1-CD2 4.18Å; V452-L479 HydrophobicContact CG2-CD2 4.18Å
453T90.5Very high88.2Confident65 Ų6559.5 Ų59.540%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-74.3133177.3-52.80000109.9L443 N455L443-T453 PolarHBondContact O-N 2.84Å; T453-N455 PolarHBondContact O-N 2.78Å
454I89.8Confident88Confident28 Ų2862.6 Ų62.614%0.14433%0.326CS..  trans-81.5113.3-177.1-62.2-170.3000110.3L458 C459 L463 V471 E472 L474I454-L458 HydrophobicContact CG2-CB 4Å; I454-C459 HydrophobicContact CG2-CB 3.73Å; I454-L463 HydrophobicContact CD1-CD1 3.89Å; I454-L463 HydrophobicContact CD1-CD2 3.98Å; I454-L463 HydrophobicContact CD1-CG 4.15Å; I454-L463 HydrophobicContact CG2-CD1 4.49Å; I454-V471 HydrophobicContact CD1-CB 4.42Å; I454-V471 HydrophobicContact CD1-CG1 3.73Å; I454-E472 PolarHBondContact N-O 2.87Å; I454-L474 HydrophobicContact CD1-CD1 3.66Å; I454-L474 HydrophobicContact CD1-CG 3.91Å; I454-L474 HydrophobicContact CG1-CD1 4.4Å
455N89.9Confident87.6Confident24 Ų2468.7 Ų68.713%0.12835%0.349CS..  trans-80.316616681.2-7.1000111.1Y437 L443 T453 T457 L458 C459Y437-N455 PolarHBondContact OH-ND2 2.85Å; L443-N455 HydrophobicContact CD1-CB 3.95Å; L443-N455 HydrophobicContact CD2-CB 3.88Å; T453-N455 PolarHBondContact O-N 2.78Å; N455-T457 PolarHBondContact O-N 2.83Å; N455-T457 VanDerWaalsContact O-N 3.15Å; N455-T457 PolarHBondContact OD1-N 2.87Å; N455-L458 PolarHBondContact O-N 3.33Å; N455-L458 VanDerWaalsContact O-N 3.12Å; N455-L458 WeakPolarHBondContact OD1-CB 3.35Å; N455-L458 WeakPolarHBondContact OD1-CG 3.33Å; N455-L458 PolarHBondContact OD1-N 2.85Å; N455-C459 PolarHBondContact O-N 3.24Å
456P88.3Confident87.3Confident103 Ų10371.7 Ų71.767%0.66937%0.372SS*.Hα-helixtrans-54.8-35.9-178.8-28.736.6000114C459 D460P456-C459 WeakPolarHBondContact O-CB 3.35Å; P456-C459 PolarHBondContact O-N 2.87Å; P456-D460 PolarHBondContact O-N 2.89Å
457T88.1Confident87.4Confident46 Ų4664.8 Ų64.828%0.28234%0.34SS..Hα-helixtrans-65.4-46178-44.90000112P412 L413 Y437 N455 C459 C461P412-T457 HydrophobicContact CB-CG2 3.68Å; L413-T457 HydrophobicContact CD2-CG2 3.75Å; Y437-T457 WeakPolarHBondContact OH-CB 3.22Å; N455-T457 PolarHBondContact O-N 2.83Å; N455-T457 VanDerWaalsContact O-N 3.15Å; N455-T457 PolarHBondContact OD1-N 2.87Å; T457-C459 VanDerWaalsContact C-N 3.31Å; T457-C461 WeakPolarHBondContact O-CB 3.42Å; T457-C461 PolarHBondContact O-N 2.73Å; T457-C461 PolarHBondContact O-SG 3.28Å
458L88.4Confident87.3Confident1 Ų161.5 Ų61.51%0.00532%0.317CS..Hα-helixtrans-64.9-36174.9-72.3174.8000111.6L413 Y437 L443 V452 I454 N455 C461 L462 L479L413-L458 HydrophobicContact CD1-CD2 3.94Å; L413-L458 HydrophobicContact CD2-CD2 3.72Å; L413-L458 HydrophobicContact CD2-CG 4.34Å; Y437-L458 HydrophobicContact CE1-CD1 4.48Å; Y437-L458 HydrophobicContact CE1-CD2 4.25Å; Y437-L458 HydrophobicContact CE1-CG 4.13Å; L443-L458 HydrophobicContact CD1-CD1 3.74Å; V452-L458 HydrophobicContact CG1-CD1 4.35Å; I454-L458 HydrophobicContact CG2-CB 4Å; N455-L458 PolarHBondContact O-N 3.33Å; N455-L458 VanDerWaalsContact O-N 3.12Å; N455-L458 WeakPolarHBondContact OD1-CB 3.35Å; N455-L458 WeakPolarHBondContact OD1-CG 3.33Å; N455-L458 PolarHBondContact OD1-N 2.85Å; L458-C461 PolarHBondContact O-N 2.91Å; L458-L462 HydrophobicContact CD2-CD1 3.91Å; L458-L462 VanDerWaalsContact O-CB 3.31Å; L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 PolarHBondContact O-N 2.98Å; L458-L479 HydrophobicContact CD1-CD1 4.46Å; L458-L479 HydrophobicContact CD2-CD1 4.26Å
459C88Confident86.8Confident20 Ų2067.2 Ų67.214%0.13534%0.341CS..Hα-helixtrans-58.2-59.6174.8-172.80000111I454 N455 P456 T457 C461 L462 L463I454-C459 HydrophobicContact CG2-CB 3.73Å; N455-C459 PolarHBondContact O-N 3.24Å; P456-C459 WeakPolarHBondContact O-CB 3.35Å; P456-C459 PolarHBondContact O-N 2.87Å; T457-C459 VanDerWaalsContact C-N 3.31Å; C459-C461 VanDerWaalsContact C-N 3.28Å; C459-C461 PolarHBondContact O-N 2.92Å; C459-L462 PolarHBondContact O-N 2.84Å; C459-L463 WeakPolarHBondContact O-CB 3.2Å; C459-L463 PolarHBondContact O-N 3.49Å
460D87.5Confident86.5Confident93 Ų9367.2 Ų67.250%0.49734%0.344SS..Hα-helixtrans-62.4-33.3179.4-81.7-32.2000113.4R409 P456 Y468R409-D460 WeakPolarHBondContact CD-O 3.15Å; R409-D460 PolarHBondContact NH1-O 2.86Å; P456-D460 PolarHBondContact O-N 2.89Å; D460-Y468 PolarHBondContact OD1-OH 3.09Å
461C86.1Confident86.3Confident3 Ų363.5 Ų63.52%0.0233%0.325CS..Hα-helixtrans-73.3-42.4-179.4-75.20000113.7R409 L410 L413 T457 L458 C459R409-C461 WeakPolarHBondContact CD-O 3.36Å; R409-C461 PolarHBondContact O-SG 2.94Å; L410-C461 HydrophobicContact CD2-CB 3.76Å; L410-C461 WeakPolarHBondContact CD2-O 3.45Å; L413-C461 HydrophobicContact CD1-CB 3.7Å; L413-C461 HydrophobicContact CG-CB 4.18Å; T457-C461 WeakPolarHBondContact O-CB 3.42Å; T457-C461 PolarHBondContact O-N 2.73Å; T457-C461 PolarHBondContact O-SG 3.28Å; L458-C461 PolarHBondContact O-N 2.91Å; C459-C461 VanDerWaalsContact C-N 3.28Å; C459-C461 PolarHBondContact O-N 2.92Å
462L86.9Confident86Confident2 Ų268 Ų681%0.0135%0.349CS..Hα-helixtrans-114.4-38.5-163.4-57-177.9000114.2L410 L458 C459 L479 R482 R486L410-L462 HydrophobicContact CD2-CD2 3.79Å; L458-L462 HydrophobicContact CD2-CD1 3.91Å; L458-L462 VanDerWaalsContact O-CB 3.31Å; L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 PolarHBondContact O-N 2.98Å; C459-L462 PolarHBondContact O-N 2.84Å; L462-L479 HydrophobicContact CD1-CD1 3.54Å; L462-L479 HydrophobicContact CD1-CG 4.43Å; L462-R482 HydrophobicContact CB-CB 4.42Å; L462-R486 HydrophobicContact CD2-CG 4.39Å; L462-R486 PolarHBondContact O-NE 3.22Å; L462-R486 PolarHBondContact O-NH2 3.33Å
463L87.8Confident85.8Confident1 Ų170.1 Ų70.11%0.00536%0.364CS..  trans-78.8155.7-173.9-62.9-170.4000112.6I454 C459 E467 Y468 V471 L474 R486I454-L463 HydrophobicContact CD1-CD1 3.89Å; I454-L463 HydrophobicContact CD1-CD2 3.98Å; I454-L463 HydrophobicContact CD1-CG 4.15Å; I454-L463 HydrophobicContact CG2-CD1 4.49Å; C459-L463 WeakPolarHBondContact O-CB 3.2Å; C459-L463 PolarHBondContact O-N 3.49Å; L463-E467 WeakPolarHBondContact CA-OE2 3.22Å; L463-E467 HydrophobicContact CB-CB 4.17Å; L463-E467 HydrophobicContact CD1-CB 4.22Å; L463-E467 HydrophobicContact CD2-CB 4.25Å; L463-E467 HydrophobicContact CG-CB 4.45Å; L463-Y468 HydrophobicContact CB-CD1 3.88Å; L463-Y468 HydrophobicContact CB-CE1 3.92Å; L463-V471 HydrophobicContact CD1-CB 4.18Å; L463-V471 HydrophobicContact CD2-CB 4.3Å; L463-V471 HydrophobicContact CD2-CG1 4.28Å; L463-L474 HydrophobicContact CD2-CD1 4.38Å; L463-R486 PolarHBondContact O-NH2 3.25Å
464E84.8Confident85.8Confident87 Ų8767.6 Ų67.641%0.40735%0.348SS..  trans-82.9154.7159.4-74.1-54.8151.300111.4S466 E467 Y468 R486E464-S466 PolarHBondContact O-N 3.4Å; E464-E467 HydrophobicContact CB-CG 4.39Å; E464-E467 PolarHBondContact N-OE2 3.33Å; E464-E467 WeakPolarHBondContact O-CB 3.39Å; E464-E467 PolarHBondContact O-N 2.91Å; E464-Y468 WeakPolarHBondContact O-CD1 3.31Å; E464-R486 IonicContact OE1-CZ 3.24Å; E464-R486 IonicContact OE1-NH1 3.9Å; E464-R486 PolarHBondContact OE1-NH1 2.95Å; E464-R486 IonicContact OE1-NH2 3.87Å; E464-R486 PolarHBondContact OE1-NH2 3.46Å
465K82Confident85.9Confident176 Ų17670.9 Ų70.977%0.76536%0.361SS*.THydrogen-bonded Turntrans-55.5-24.1-176.7-67-172.5176.1-172.70115
466S82Confident86Confident100 Ų10071.9 Ų71.970%0.69936%0.363SS*.THydrogen-bonded Turntrans-74.5-33175.3-46.90000112.7E464 Y468E464-S466 PolarHBondContact O-N 3.4Å; S466-Y468 VanDerWaalsContact C-N 3.32Å; S466-Y468 PolarHBondContact O-N 3.21Å
467E85.8Confident86.1Confident40 Ų4072.7 Ų72.719%0.18736%0.362CS..G310 helixtrans-80.5-13.9-174.7-57.6178.8115.800112.7L463 E464 Q469 E470 V471 R482L463-E467 WeakPolarHBondContact CA-OE2 3.22Å; L463-E467 HydrophobicContact CB-CB 4.17Å; L463-E467 HydrophobicContact CD1-CB 4.22Å; L463-E467 HydrophobicContact CD2-CB 4.25Å; L463-E467 HydrophobicContact CG-CB 4.45Å; E464-E467 HydrophobicContact CB-CG 4.39Å; E464-E467 PolarHBondContact N-OE2 3.33Å; E464-E467 WeakPolarHBondContact O-CB 3.39Å; E464-E467 PolarHBondContact O-N 2.91Å; E467-Q469 PolarHBondContact O-N 3.29Å; E467-E470 PolarHBondContact O-N 3.33Å; E467-V471 HydrophobicContact CB-CG2 3.94Å; E467-V471 HydrophobicContact CG-CG2 4.49Å; E467-V471 PolarHBondContact O-N 3.17Å; E467-R482 IonicContact OE1-CZ 3.26Å; E467-R482 VanDerWaalsContact OE1-CZ 3.26Å; E467-R482 IonicContact OE1-NH1 2.92Å; E467-R482 PolarHBondContact OE1-NH1 3.44Å; E467-R482 IonicContact OE1-NH2 2.68Å; E467-R482 PolarHBondContact OE1-NH2 2.97Å; E467-R482 IonicContact OE2-CZ 3.86Å; E467-R482 IonicContact OE2-NH1 2.81Å; E467-R482 PolarHBondContact OE2-NH1 2.9Å
468Y82.3Confident86.2Confident86 Ų8673.8 Ų73.834%0.33737%0.366SS..G310 helixtrans-56.5-17.4-174.6-82.931.9000114.7D460 L463 E464 S466D460-Y468 PolarHBondContact OD1-OH 3.09Å; L463-Y468 HydrophobicContact CB-CD1 3.88Å; L463-Y468 HydrophobicContact CB-CE1 3.92Å; E464-Y468 WeakPolarHBondContact O-CD1 3.31Å; S466-Y468 VanDerWaalsContact C-N 3.32Å; S466-Y468 PolarHBondContact O-N 3.21Å
469Q77.6Confident86.3Confident189 Ų18973.8 Ų73.888%0.88337%0.366SS*.G310 helixtrans-120.71.6178.6-64.2-176-19.200113.1E467E467-Q469 PolarHBondContact O-N 3.29Å
470E80.8Confident86.6Confident159 Ų15974 Ų7474%0.74337%0.365SS*.THydrogen-bonded Turntrans-115.1-24.6-175.5-61.8-173.115800112.8E467E467-E470 PolarHBondContact O-N 3.33Å
471V83.9Confident86.8Confident35 Ų3573.3 Ų73.321%0.21237%0.367CS..  trans-116.595.4-173.9-171.90000110.4I454 L463 E467 S473 L474I454-V471 HydrophobicContact CD1-CB 4.42Å; I454-V471 HydrophobicContact CD1-CG1 3.73Å; L463-V471 HydrophobicContact CD1-CB 4.18Å; L463-V471 HydrophobicContact CD2-CB 4.3Å; L463-V471 HydrophobicContact CD2-CG1 4.28Å; E467-V471 HydrophobicContact CB-CG2 3.94Å; E467-V471 HydrophobicContact CG-CG2 4.49Å; E467-V471 PolarHBondContact O-N 3.17Å; V471-S473 WeakPolarHBondContact CG1-O 3.39Å; V471-L474 HydrophobicContact CG1-CD2 3.96Å; V471-L474 HydrophobicContact CG1-CG 3.9Å
472E84.3Confident87Confident168 Ų16876.5 Ų76.579%0.78538%0.378SS*.SBendtrans-85.6-27.3175.4-61.7-175.1150.200112.7I454I454-E472 PolarHBondContact N-O 2.87Å
473S87.7Confident87.1Confident46 Ų4676.4 Ų76.432%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-143.1155.4177700000113V452 V471V452-S473 CarbonylContact O-C 3.56Å; V452-S473 VanDerWaalsContact O-CA 3.26Å; V452-S473 WeakPolarHBondContact O-CA 3.22Å; V452-S473 WeakPolarHBondContact O-CB 3.24Å; V471-S473 WeakPolarHBondContact CG1-O 3.39Å
474L89.9Confident87.3Confident13 Ų1377.3 Ų77.37%0.06838%0.383CS..EExtended strand (participates in β ladder)trans-130.2154177.1-78.9166.7000110.6Y451 V452 I454 L463 V471 D478 L479Y451-L474 CarbonylContact C-O 3.6Å; Y451-L474 WeakPolarHBondContact CA-O 3.31Å; V452-L474 PolarHBondContact N-O 3.08Å; V452-L474 PolarHBondContact O-N 3.19Å; I454-L474 HydrophobicContact CD1-CD1 3.66Å; I454-L474 HydrophobicContact CD1-CG 3.91Å; I454-L474 HydrophobicContact CG1-CD1 4.4Å; L463-L474 HydrophobicContact CD2-CD1 4.38Å; V471-L474 HydrophobicContact CG1-CD2 3.96Å; V471-L474 HydrophobicContact CG1-CG 3.9Å; L474-D478 HydrophobicContact CD2-CB 3.96Å; L474-L479 HydrophobicContact CD1-CD1 4.45Å
475K92.5Very high87.4Confident96 Ų9676.5 Ų76.542%0.41740%0.398SS..EExtended strand (participates in β ladder)trans-74.3156167.5-59.5170.1-173.8160.10110.2N450 Y451 D477 D478 L479N450-K475 WeakPolarHBondContact O-CA 3.31Å; Y451-K475 HydrophobicContact CD1-CG 4.01Å; Y451-K475 HydrophobicContact CE1-CD 4.47Å; Y451-K475 HydrophobicContact CE1-CG 3.55Å; Y451-K475 HydrophobicContact CE2-CG 4.48Å; Y451-K475 WeakPolarHBondContact OH-CE 3.26Å; K475-D477 VanDerWaalsContact C-N 3.31Å; K475-D477 PolarHBondContact O-N 2.92Å; K475-D478 WeakPolarHBondContact CB-OD2 3.42Å; K475-D478 PolarHBondContact O-N 3.16Å; K475-D478 VanDerWaalsContact O-N 3.16Å; K475-L479 WeakPolarHBondContact O-CB 3.44Å; K475-L479 PolarHBondContact O-N 3.43Å
476W90.6Very high87.8Confident45 Ų4571.2 Ų71.217%0.1737%0.373CS..Hα-helixtrans-52.8-44174.3-74.4102.4000113.8T435 V438 V444 K449 N450 V452 D478 L479 F480T435-W476 HydrophobicContact CG2-CH2 4.22Å; T435-W476 HydrophobicContact CG2-CZ3 4.39Å; V438-W476 HydrophobicContact CB-CH2 3.73Å; V438-W476 HydrophobicContact CB-CZ3 4.14Å; V438-W476 HydrophobicContact CG1-CH2 3.34Å; V438-W476 HydrophobicContact CG1-CZ2 3.81Å; V438-W476 HydrophobicContact CG1-CZ3 4.11Å; V438-W476 HydrophobicContact CG2-CH2 4.29Å; V438-W476 HydrophobicContact CG2-CZ3 4.26Å; V444-W476 HydrophobicContact CG2-CZ2 4.01Å; K449-W476 PolarHBondContact O-NE1 3.17Å; N450-W476 VanDerWaalsContact O-CD1 3.3Å; N450-W476 PolarHBondContact O-N 3.48Å; V452-W476 HydrophobicContact CG2-CD2 3.75Å; V452-W476 HydrophobicContact CG2-CE3 4.08Å; V452-W476 HydrophobicContact CG2-CG 4.33Å; V452-W476 HydrophobicContact CG2-CH2 4.11Å; V452-W476 HydrophobicContact CG2-CZ2 3.74Å; V452-W476 HydrophobicContact CG2-CZ3 4.25Å; W476-D478 PolarHBondContact O-N 3.41Å; W476-L479 HydrophobicContact CE3-CD2 4.13Å; W476-L479 HydrophobicContact CZ3-CD2 4.29Å; W476-L479 WeakPolarHBondContact O-CB 3.34Å; W476-L479 PolarHBondContact O-N 2.92Å; W476-F480 HydrophobicContact CB-CE2 4.1Å; W476-F480 HydrophobicContact CE3-CE1 4.11Å; W476-F480 HydrophobicContact CE3-CE2 4.02Å; W476-F480 AromaticContact CE3-CZ 3.54Å; W476-F480 HydrophobicContact CE3-CZ 3.54Å; W476-F480 HydrophobicContact CZ3-CE1 4.37Å; W476-F480 HydrophobicContact CZ3-CZ 4.02Å; W476-F480 WeakPolarHBondContact O-CD2 3.34Å; W476-F480 VanDerWaalsContact O-CG 3.29Å; W476-F480 WeakPolarHBondContact O-CG 3.32Å; W476-F480 PolarHBondContact O-N 3.32Å
477D90.9Very high88.1Confident120 Ų12067.1 Ų67.164%0.64234%0.343SS*.Hα-helixtrans-64.9-40.1179.2-63.6-52.4000112.5K475 S481K475-D477 VanDerWaalsContact C-N 3.31Å; K475-D477 PolarHBondContact O-N 2.92Å; D477-S481 VanDerWaalsContact O-CB 3.23Å; D477-S481 WeakPolarHBondContact O-CB 3.48Å; D477-S481 PolarHBondContact O-N 3.48Å; D477-S481 PolarHBondContact O-OG 2.91Å
478D90.1Very high88.3Confident70 Ų7069.5 Ų69.537%0.37435%0.354SS..Hα-helixtrans-67.9-40.2175.9-62-48.8000111L474 K475 W476 S481 R482L474-D478 HydrophobicContact CD2-CB 3.96Å; K475-D478 WeakPolarHBondContact CB-OD2 3.42Å; K475-D478 PolarHBondContact O-N 3.16Å; K475-D478 VanDerWaalsContact O-N 3.16Å; W476-D478 PolarHBondContact O-N 3.41Å; D478-S481 PolarHBondContact O-N 2.91Å; D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.29Å; D478-R482 VanDerWaalsContact O-CG 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.22Å; D478-R482 PolarHBondContact O-N 3.04Å
479L91.6Very high88.6Confident1 Ų168 Ų681%0.00535%0.35CS..Hα-helixtrans-61.4-48.8176.3-173.577.8000111.4I434 V438 V452 L458 L462 L474 K475 W476 T483I434-L479 HydrophobicContact CG2-CD2 3.71Å; I434-L479 HydrophobicContact CG2-CG 4.23Å; V438-L479 HydrophobicContact CG2-CD2 3.92Å; V452-L479 HydrophobicContact CB-CD2 4.36Å; V452-L479 HydrophobicContact CG1-CD2 4.18Å; V452-L479 HydrophobicContact CG2-CD2 4.18Å; L458-L479 HydrophobicContact CD1-CD1 4.46Å; L458-L479 HydrophobicContact CD2-CD1 4.26Å; L462-L479 HydrophobicContact CD1-CD1 3.54Å; L462-L479 HydrophobicContact CD1-CG 4.43Å; L474-L479 HydrophobicContact CD1-CD1 4.45Å; K475-L479 WeakPolarHBondContact O-CB 3.44Å; K475-L479 PolarHBondContact O-N 3.43Å; W476-L479 HydrophobicContact CE3-CD2 4.13Å; W476-L479 HydrophobicContact CZ3-CD2 4.29Å; W476-L479 WeakPolarHBondContact O-CB 3.34Å; W476-L479 PolarHBondContact O-N 2.92Å; L479-T483 WeakPolarHBondContact O-CB 3.5Å; L479-T483 PolarHBondContact O-N 2.84Å; L479-T483 PolarHBondContact O-OG1 3.35Å
480F92.8Very high89.2Confident24 Ų2459.1 Ų59.111%0.10531%0.309CS..Hα-helixtrans-65.8-41.6176.9-63.3-44.1000111.8R431 I434 W476 T483 L484R431-F480 HydrophobicContact CB-CD1 4.21Å; R431-F480 HydrophobicContact CB-CE1 3.97Å; R431-F480 HydrophobicContact CB-CZ 4.24Å; R431-F480 HydrophobicContact CG-CB 4.35Å; R431-F480 HydrophobicContact CG-CD1 3.74Å; R431-F480 HydrophobicContact CG-CD2 4.16Å; R431-F480 HydrophobicContact CG-CE1 3.99Å; R431-F480 HydrophobicContact CG-CE2 4.39Å; R431-F480 HydrophobicContact CG-CG 3.84Å; R431-F480 HydrophobicContact CG-CZ 4.3Å; I434-F480 HydrophobicContact CB-CD1 4.42Å; I434-F480 HydrophobicContact CB-CE1 4.16Å; I434-F480 HydrophobicContact CG2-CD1 4.19Å; I434-F480 HydrophobicContact CG2-CE1 4Å; W476-F480 HydrophobicContact CB-CE2 4.1Å; W476-F480 HydrophobicContact CE3-CE1 4.11Å; W476-F480 HydrophobicContact CE3-CE2 4.02Å; W476-F480 AromaticContact CE3-CZ 3.54Å; W476-F480 HydrophobicContact CE3-CZ 3.54Å; W476-F480 HydrophobicContact CZ3-CE1 4.37Å; W476-F480 HydrophobicContact CZ3-CZ 4.02Å; W476-F480 WeakPolarHBondContact O-CD2 3.34Å; W476-F480 VanDerWaalsContact O-CG 3.29Å; W476-F480 WeakPolarHBondContact O-CG 3.32Å; W476-F480 PolarHBondContact O-N 3.32Å; F480-T483 PolarHBondContact O-N 2.7Å; F480-L484 WeakPolarHBondContact O-CB 3.32Å; F480-L484 WeakPolarHBondContact O-CG 3.19Å; F480-L484 PolarHBondContact O-N 3.05Å
481S91.7Very high89.7Confident78 Ų7852.4 Ų52.455%0.54528%0.277SS..Hα-helixtrans-66.4-44.3179.8-59.10000111.9D477 D478 G485D477-S481 VanDerWaalsContact O-CB 3.23Å; D477-S481 WeakPolarHBondContact O-CB 3.48Å; D477-S481 PolarHBondContact O-N 3.48Å; D477-S481 PolarHBondContact O-OG 2.91Å; D478-S481 PolarHBondContact O-N 2.91Å; S481-G485 PolarHBondContact O-N 3.43Å
482R90.7Very high90Very high70 Ų7053.4 Ų53.426%0.26428%0.279SS..Hα-helixtrans-61.9-42.2172.5-74173.7178.9-102.75.5111.3L462 E467 D478 G485 R486L462-R482 HydrophobicContact CB-CB 4.42Å; E467-R482 IonicContact OE1-CZ 3.26Å; E467-R482 VanDerWaalsContact OE1-CZ 3.26Å; E467-R482 IonicContact OE1-NH1 2.92Å; E467-R482 PolarHBondContact OE1-NH1 3.44Å; E467-R482 IonicContact OE1-NH2 2.68Å; E467-R482 PolarHBondContact OE1-NH2 2.97Å; E467-R482 IonicContact OE2-CZ 3.86Å; E467-R482 IonicContact OE2-NH1 2.81Å; E467-R482 PolarHBondContact OE2-NH1 2.9Å; D478-R482 VanDerWaalsContact O-CB 3.27Å; D478-R482 WeakPolarHBondContact O-CB 3.29Å; D478-R482 VanDerWaalsContact O-CG 3.26Å; D478-R482 WeakPolarHBondContact O-CG 3.22Å; D478-R482 PolarHBondContact O-N 3.04Å; R482-G485 PolarHBondContact O-N 2.98Å; R482-R486 WeakPolarHBondContact O-CB 3.5Å; R482-R486 WeakPolarHBondContact O-CG 3.25Å; R482-R486 PolarHBondContact O-N 3.4Å; R482-R486 VanDerWaalsContact O-N 3.09Å
483T90.5Very high90.2Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-62.5-50.8178.4-55.60000111.4L410 V430 I434 L479 F480 G485 R486 M487L410-T483 HydrophobicContact CD1-CG2 4.36Å; V430-T483 HydrophobicContact CG1-CG2 3.99Å; I434-T483 HydrophobicContact CD1-CG2 3.97Å; I434-T483 HydrophobicContact CG1-CG2 4.02Å; L479-T483 WeakPolarHBondContact O-CB 3.5Å; L479-T483 PolarHBondContact O-N 2.84Å; L479-T483 PolarHBondContact O-OG1 3.35Å; F480-T483 PolarHBondContact O-N 2.7Å; T483-G485 VanDerWaalsContact C-N 3.35Å; T483-G485 PolarHBondContact O-N 3.37Å; T483-R486 PolarHBondContact O-N 3.11Å; T483-R486 VanDerWaalsContact O-N 3.08Å; T483-M487 WeakPolarHBondContact O-CG 3.37Å; T483-M487 PolarHBondContact O-N 2.76Å; T483-M487 VanDerWaalsContact O-N 3.12Å
484L90.4Very high90.1Very high20 Ų2045.1 Ų45.111%0.10524%0.238CC..Hα-helixtrans-61.7-41.8179.3-69.5171.6000111.6Y404 V430 F480 R486 M487Y404-L484 HydrophobicContact CD1-CB 4.27Å; Y404-L484 HydrophobicContact CD1-CD2 3.85Å; Y404-L484 HydrophobicContact CD2-CD2 3.81Å; Y404-L484 HydrophobicContact CE1-CB 3.87Å; Y404-L484 HydrophobicContact CE1-CD2 4.04Å; Y404-L484 WeakPolarHBondContact CE1-O 3.35Å; Y404-L484 HydrophobicContact CE2-CD2 4.05Å; Y404-L484 HydrophobicContact CG-CD2 3.72Å; V430-L484 HydrophobicContact CB-CD2 4.08Å; V430-L484 HydrophobicContact CG1-CD2 3.91Å; V430-L484 HydrophobicContact CG2-CD2 4.1Å; F480-L484 WeakPolarHBondContact O-CB 3.32Å; F480-L484 WeakPolarHBondContact O-CG 3.19Å; F480-L484 PolarHBondContact O-N 3.05Å; L484-R486 PolarHBondContact O-N 2.79Å; L484-M487 HydrophobicContact CD2-SD 4.48Å; L484-M487 PolarHBondContact O-N 2.81Å
485G88.5Confident89.9Confident70 Ų7046.1 Ų46.172%0.72224%0.242SC*.Hα-helixtrans-68-13.5175.200000115.4S481 R482 T483S481-G485 PolarHBondContact O-N 3.43Å; R482-G485 PolarHBondContact O-N 2.98Å; T483-G485 VanDerWaalsContact C-N 3.35Å; T483-G485 PolarHBondContact O-N 3.37Å
486R88.9Confident89.2Confident66 Ų6645.7 Ų45.725%0.24925%0.249CC..Hα-helixtrans-99.4-11.3173.9-66.6-76.3-168.5-154.35.1113S407 L410 L462 L463 E464 R482 T483 L484S407-R486 WeakPolarHBondContact CB-O 3.39Å; S407-R486 PolarHBondContact OG-O 2.85Å; L410-R486 HydrophobicContact CD1-CB 3.79Å; L410-R486 HydrophobicContact CD2-CB 3.91Å; L410-R486 HydrophobicContact CG-CB 4.11Å; L462-R486 HydrophobicContact CD2-CG 4.39Å; L462-R486 PolarHBondContact O-NE 3.22Å; L462-R486 PolarHBondContact O-NH2 3.33Å; L463-R486 PolarHBondContact O-NH2 3.25Å; E464-R486 IonicContact OE1-CZ 3.24Å; E464-R486 IonicContact OE1-NH1 3.9Å; E464-R486 PolarHBondContact OE1-NH1 2.95Å; E464-R486 IonicContact OE1-NH2 3.87Å; E464-R486 PolarHBondContact OE1-NH2 3.46Å; R482-R486 WeakPolarHBondContact O-CB 3.5Å; R482-R486 WeakPolarHBondContact O-CG 3.25Å; R482-R486 PolarHBondContact O-N 3.4Å; R482-R486 VanDerWaalsContact O-N 3.09Å; T483-R486 PolarHBondContact O-N 3.11Å; T483-R486 VanDerWaalsContact O-N 3.08Å; L484-R486 PolarHBondContact O-N 2.79Å
487M89.4Confident88.5Confident14 Ų1448 Ų487%0.06929%0.287CS..SBendtrans-81.3160.3170.4-71-179.185.700110.5Y404 V406 L410 F414 M425 V430 T483 L484 E489Y404-M487 HydrophobicContact CD1-CB 3.9Å; Y404-M487 HydrophobicContact CG-CB 4.5Å; V406-M487 HydrophobicContact CG2-CE 4.13Å; L410-M487 HydrophobicContact CD1-CB 4.23Å; L410-M487 HydrophobicContact CD1-CG 3.3Å; F414-M487 HydrophobicContact CE1-CE 4.43Å; F414-M487 HydrophobicContact CE2-CE 4.25Å; F414-M487 HydrophobicContact CE2-SD 4.34Å; F414-M487 HydrophobicContact CZ-CE 3.78Å; F414-M487 HydrophobicContact CZ-SD 3.89Å; M425-M487 HydrophobicContact CG-CE 4.29Å; M425-M487 HydrophobicContact SD-CE 4.18Å; V430-M487 HydrophobicContact CB-SD 4.4Å; V430-M487 HydrophobicContact CG1-SD 3.82Å; V430-M487 HydrophobicContact CG2-CE 3.83Å; V430-M487 HydrophobicContact CG2-SD 3.59Å; V430-M487 VanDerWaalsContact CG2-SD 3.59Å; T483-M487 WeakPolarHBondContact O-CG 3.37Å; T483-M487 PolarHBondContact O-N 2.76Å; T483-M487 VanDerWaalsContact O-N 3.12Å; L484-M487 HydrophobicContact CD2-SD 4.48Å; L484-M487 PolarHBondContact O-N 2.81Å; M487-E489 PolarHBondContact O-N 2.85Å
488Q89.3Confident87.8Confident90 Ų9048.3 Ų48.342%0.42128%0.284SS..EExtended strand (participates in β ladder)trans-86.1111.6171.5167.5166.628.800109.1S405S405-Q488 PolarHBondContact N-O 3.12Å; S405-Q488 PolarHBondContact O-N 3.06Å; S405-Q488 WeakPolarHBondContact OG-CB 3.36Å; S405-Q488 PolarHBondContact OG-O 2.7Å
489E89.6Confident87.3Confident54 Ų5449 Ų4925%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-60.3141.4172.2-171178.3-154.200111.3T402 Y404 M487 G505 H506T402-E489 HydrophobicContact CG2-CG 4.05Å; T402-E489 WeakPolarHBondContact CG2-OE1 3.33Å; Y404-E489 HydrophobicContact CE1-CB 4.36Å; M487-E489 PolarHBondContact O-N 2.85Å; E489-G505 VanDerWaalsContact O-CA 3.29Å; E489-G505 WeakPolarHBondContact O-CA 3.22Å; E489-G505 PolarHBondContact O-N 3.48Å; E489-H506 IonicContact OE1-CD2 3.45Å; E489-H506 PolarHBondContact OE1-CD2 3.35Å; E489-H506 WeakPolarHBondContact OE2-CB 3.32Å; E489-H506 IonicContact OE2-CD2 2.86Å; E489-H506 IonicContact OE2-CG 3.69Å
490C90Very high86.9Confident2 Ų251.7 Ų51.71%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-142.4168.8177.5-68.90000108.9L403 T424 V502 K503 G505L403-C490 HydrophobicContact CB-CB 4.28Å; L403-C490 PolarHBondContact N-O 3.4Å; L403-C490 CarbonylContact O-C 3.54Å; L403-C490 WeakPolarHBondContact O-CA 3.19Å; L403-C490 PolarHBondContact O-N 2.78Å; T424-C490 HydrophobicContact CG2-CB 4.47Å; C490-V502 HydrophobicContact CB-CG1 4.46Å; C490-K503 CarbonylContact C-O 3.51Å; C490-K503 VanDerWaalsContact CA-O 3.32Å; C490-K503 WeakPolarHBondContact CA-O 3.23Å; C490-K503 VanDerWaalsContact CB-O 3.31Å; C490-K503 WeakPolarHBondContact CB-O 3.25Å; C490-G505 WeakPolarHBondContact CA-O 3.37Å
491Y90.2Very high86.5Confident19 Ų1953.5 Ų53.58%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-136.8142.1167.961.4-77.7000110.9T401 V493 V502 K503 G505 I507 V531T401-Y491 WeakPolarHBondContact O-CA 3.31Å; Y491-V493 HydrophobicContact CD2-CG2 3.47Å; Y491-V493 VanDerWaalsContact CD2-CG2 3.47Å; Y491-V493 HydrophobicContact CE2-CG2 3.57Å; Y491-V502 WeakPolarHBondContact O-CA 3.47Å; Y491-K503 HydrophobicContact CD1-CB 4.17Å; Y491-K503 HydrophobicContact CD2-CB 4.42Å; Y491-K503 HydrophobicContact CE1-CB 3.65Å; Y491-K503 HydrophobicContact CE2-CB 3.92Å; Y491-K503 HydrophobicContact CE2-CD 3.81Å; Y491-K503 HydrophobicContact CE2-CG 4.39Å; Y491-K503 PolarHBondContact N-O 3.05Å; Y491-K503 PolarHBondContact O-N 3.34Å; Y491-K503 VanDerWaalsContact OH-CD 3.31Å; Y491-K503 WeakPolarHBondContact OH-CD 3.31Å; Y491-G505 WeakPolarHBondContact CD1-O 3.33Å; Y491-I507 HydrophobicContact CD1-CB 3.93Å; Y491-I507 HydrophobicContact CD2-CB 3.87Å; Y491-I507 HydrophobicContact CD2-CD1 3.99Å; Y491-I507 HydrophobicContact CD2-CG1 3.96Å; Y491-I507 HydrophobicContact CE1-CB 4.07Å; Y491-I507 HydrophobicContact CE1-CG1 4.47Å; Y491-I507 HydrophobicContact CE2-CB 4.01Å; Y491-I507 HydrophobicContact CE2-CD1 3.98Å; Y491-I507 HydrophobicContact CE2-CG1 3.73Å; Y491-I507 HydrophobicContact CG-CB 3.83Å; Y491-I507 HydrophobicContact CG-CG1 4.43Å; Y491-V531 HydrophobicContact CE2-CG1 4.29Å
492Q89.5Confident86.2Confident56 Ų5653.2 Ų53.226%0.26233%0.33SS..EExtended strand (participates in β ladder)trans-95.9135.6167.1179.2173.9-47.900108.6I400 T401 L403 V494 A500 V502I400-Q492 WeakPolarHBondContact CA-O 3.43Å; T401-Q492 PolarHBondContact N-O 3.23Å; T401-Q492 PolarHBondContact O-N 3.01Å; L403-Q492 HydrophobicContact CD1-CB 3.79Å; L403-Q492 HydrophobicContact CG-CB 4.32Å; Q492-V494 HydrophobicContact CG-CG2 4.05Å; Q492-A500 HydrophobicContact CG-CB 4.04Å; Q492-V502 HydrophobicContact CB-CG2 4.33Å; Q492-V502 HydrophobicContact CG-CG2 4.39Å
493V88.6Confident86Confident2 Ų253.4 Ų53.41%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-116.7126.7171-169.20000107.8P398 E399 I400 Y491 F495 T501P398-V493 HydrophobicContact CB-CG1 3.53Å; P398-V493 HydrophobicContact CG-CG1 3.97Å; E399-V493 WeakPolarHBondContact O-CA 3.49Å; I400-V493 HydrophobicContact CG1-CG1 4.42Å; Y491-V493 HydrophobicContact CD2-CG2 3.47Å; Y491-V493 VanDerWaalsContact CD2-CG2 3.47Å; Y491-V493 HydrophobicContact CE2-CG2 3.57Å; V493-F495 HydrophobicContact CB-CE2 4.42Å; V493-F495 HydrophobicContact CG1-CD2 4.06Å; V493-F495 HydrophobicContact CG1-CE1 4.49Å; V493-F495 HydrophobicContact CG1-CE2 3.48Å; V493-F495 VanDerWaalsContact CG1-CE2 3.48Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; V493-T501 PolarHBondContact N-O 2.82Å; V493-T501 PolarHBondContact O-N 2.67Å
494V87.4Confident85.7Confident38 Ų3861 Ų6123%0.2337%0.366CS..EExtended strand (participates in β ladder)trans-119.1113.1173.4-169.50000108P398 E399 Q492 A500P398-V494 CarbonylContact C-O 3.59Å; P398-V494 VanDerWaalsContact CA-O 3.25Å; P398-V494 WeakPolarHBondContact CA-O 3.47Å; P398-V494 WeakPolarHBondContact CB-O 2.93Å; E399-V494 HydrophobicContact CB-CB 4.34Å; E399-V494 PolarHBondContact N-O 3.11Å; E399-V494 PolarHBondContact O-N 2.89Å; Q492-V494 HydrophobicContact CG-CG2 4.05Å; V494-A500 HydrophobicContact CG2-CB 3.94Å
495F84.4Confident85.5Confident34 Ų3461.3 Ų61.315%0.14937%0.374CS..  trans-88.7141.5168.2-64.2-85.4000108.8P398 V493 G497 Q498 Y532P398-F495 HydrophobicContact CB-CD1 3.68Å; P398-F495 HydrophobicContact CB-CE1 3.64Å; P398-F495 HydrophobicContact CB-CG 4.16Å; P398-F495 HydrophobicContact CB-CZ 4.1Å; P398-F495 HydrophobicContact CG-CD1 4.1Å; P398-F495 HydrophobicContact CG-CE1 3.59Å; P398-F495 HydrophobicContact CG-CZ 4.05Å; V493-F495 HydrophobicContact CB-CE2 4.42Å; V493-F495 HydrophobicContact CG1-CD2 4.06Å; V493-F495 HydrophobicContact CG1-CE1 4.49Å; V493-F495 HydrophobicContact CG1-CE2 3.48Å; V493-F495 VanDerWaalsContact CG1-CE2 3.48Å; V493-F495 HydrophobicContact CG1-CZ 3.73Å; F495-G497 PolarHBondContact O-N 3.31Å; F495-Q498 HydrophobicContact CB-CB 4.1Å; F495-Q498 HydrophobicContact CB-CG 4.09Å; F495-Q498 PolarHBondContact O-N 3.01Å; F495-Y532 WeakPolarHBondContact CE1-O 3.34Å
496P78.8Confident85.3Confident87 Ų8763.6 Ų63.657%0.56537%0.366SS*.THydrogen-bonded Turntrans-52.1129.4173.7-29.738.4000111.8H396 Q498H396-P496 HydrophobicContact CB-CG 3.83Å; P496-Q498 VanDerWaalsContact C-N 3.32Å; P496-Q498 PolarHBondContact O-N 2.9Å
497G74.3Confident85.2Confident94 Ų9460.8 Ų60.897%0.96936%0.356SS*.THydrogen-bonded Turntrans76.64-176.800000116.3F495F495-G497 PolarHBondContact O-N 3.31Å
498Q77.4Confident85.1Confident125 Ų12563.9 Ų63.958%0.58437%0.37SS*.SBendtrans-121.2157179.7-56.6-172.36.100113.3F495 P496F495-Q498 HydrophobicContact CB-CB 4.1Å; F495-Q498 HydrophobicContact CB-CG 4.09Å; F495-Q498 PolarHBondContact O-N 3.01Å; P496-Q498 VanDerWaalsContact C-N 3.32Å; P496-Q498 PolarHBondContact O-N 2.9Å
499A78.4Confident85.2Confident86 Ų8660.7 Ų60.771%0.71136%0.357SS*.  trans-69.2141.8176.300000112.4T501A499-T501 PolarHBondContact O-N 2.81Å; A499-T501 PolarHBondContact O-OG1 2.88Å
500A84.8Confident85.3Confident56 Ų5658.1 Ų58.146%0.46335%0.345SS..  trans-58.7119.6179.900000112.2Q492 V494Q492-A500 HydrophobicContact CG-CB 4.04Å; V494-A500 HydrophobicContact CG2-CB 3.94Å
501T83.5Confident85.4Confident63 Ų6359.4 Ų59.439%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-104.3116-178.3-64.60000110.6V493 A499 K503V493-T501 PolarHBondContact N-O 2.82Å; V493-T501 PolarHBondContact O-N 2.67Å; A499-T501 PolarHBondContact O-N 2.81Å; A499-T501 PolarHBondContact O-OG1 2.88Å; T501-K503 HydrophobicContact CG2-CG 4.33Å
502V86.1Confident85.5Confident71 Ų7158.5 Ų58.543%0.4335%0.348SS..EExtended strand (participates in β ladder)trans-94.1124.5177.7-177.50000110.6L403 T424 C490 Y491 Q492L403-V502 HydrophobicContact CD1-CG2 4.43Å; T424-V502 HydrophobicContact CG2-CG1 4.27Å; C490-V502 HydrophobicContact CB-CG1 4.46Å; Y491-V502 WeakPolarHBondContact O-CA 3.47Å; Q492-V502 HydrophobicContact CB-CG2 4.33Å; Q492-V502 HydrophobicContact CG-CG2 4.39Å
503K85.7Confident85.6Confident74 Ų7456.9 Ų56.932%0.32234%0.344SS..EExtended strand (participates in β ladder)trans-117.2152.5176.3-68.3174.5-176.8171.30109.9C490 Y491 T501C490-K503 CarbonylContact C-O 3.51Å; C490-K503 VanDerWaalsContact CA-O 3.32Å; C490-K503 WeakPolarHBondContact CA-O 3.23Å; C490-K503 VanDerWaalsContact CB-O 3.31Å; C490-K503 WeakPolarHBondContact CB-O 3.25Å; Y491-K503 HydrophobicContact CD1-CB 4.17Å; Y491-K503 HydrophobicContact CD2-CB 4.42Å; Y491-K503 HydrophobicContact CE1-CB 3.65Å; Y491-K503 HydrophobicContact CE2-CB 3.92Å; Y491-K503 HydrophobicContact CE2-CD 3.81Å; Y491-K503 HydrophobicContact CE2-CG 4.39Å; Y491-K503 PolarHBondContact N-O 3.05Å; Y491-K503 PolarHBondContact O-N 3.34Å; Y491-K503 VanDerWaalsContact OH-CD 3.31Å; Y491-K503 WeakPolarHBondContact OH-CD 3.31Å; T501-K503 HydrophobicContact CG2-CG 4.33Å
504K85.1Confident85.8Confident159 Ų15959 Ų5969%0.69136%0.357SS*.EExtended strand (participates in β ladder)trans-96.3149-176.7-65.2-175.7176.6-174.80111.8
505G85.4Confident85.8Confident28 Ų2858.9 Ų58.929%0.28936%0.359SS..SBendtrans86.9-178.8-173.300000112.2E489 C490 Y491E489-G505 VanDerWaalsContact O-CA 3.29Å; E489-G505 WeakPolarHBondContact O-CA 3.22Å; E489-G505 PolarHBondContact O-N 3.48Å; C490-G505 WeakPolarHBondContact CA-O 3.37Å; Y491-G505 WeakPolarHBondContact CD1-O 3.33Å
506H84.7Confident86Confident117 Ų11761 Ų6154%0.54238%0.378SS..SBendtrans-67.8151.1169.6-171.2-85.7000110.6E489 E508E489-H506 IonicContact OE1-CD2 3.45Å; E489-H506 PolarHBondContact OE1-CD2 3.35Å; E489-H506 WeakPolarHBondContact OE2-CB 3.32Å; E489-H506 IonicContact OE2-CD2 2.86Å; E489-H506 IonicContact OE2-CG 3.69Å; H506-E508 PolarHBondContact O-N 2.92Å
507I86.6Confident86.1Confident7 Ų762.6 Ų62.64%0.03637%0.373CS..PPolyproline II helixtrans-69.1123.4172.1-173.2173000110.3I400 Y491 P509 V531 Y532 Y589I400-I507 HydrophobicContact CD1-CD1 3.75Å; I400-I507 HydrophobicContact CG1-CD1 4.15Å; I400-I507 HydrophobicContact CG2-CD1 3.64Å; I400-I507 HydrophobicContact CG2-CG2 4.45Å; Y491-I507 HydrophobicContact CD1-CB 3.93Å; Y491-I507 HydrophobicContact CD2-CB 3.87Å; Y491-I507 HydrophobicContact CD2-CD1 3.99Å; Y491-I507 HydrophobicContact CD2-CG1 3.96Å; Y491-I507 HydrophobicContact CE1-CB 4.07Å; Y491-I507 HydrophobicContact CE1-CG1 4.47Å; Y491-I507 HydrophobicContact CE2-CB 4.01Å; Y491-I507 HydrophobicContact CE2-CD1 3.98Å; Y491-I507 HydrophobicContact CE2-CG1 3.73Å; Y491-I507 HydrophobicContact CG-CB 3.83Å; Y491-I507 HydrophobicContact CG-CG1 4.43Å; I507-P509 WeakPolarHBondContact O-CD 3.34Å; I507-V531 HydrophobicContact CD1-CG1 4.04Å; I507-V531 HydrophobicContact CG1-CG1 3.65Å; I507-Y532 HydrophobicContact CD1-CE1 3.8Å; I507-Y589 HydrophobicContact CG2-CD1 4.25Å; I507-Y589 HydrophobicContact CG2-CE1 3.84Å
508E87.6Confident86.2Confident79 Ų7961 Ų6137%0.36936%0.357SS..PPolyproline II helixtrans-76.3123.4177.7-71.8-177.5-124.200110.8H506 N528 Y532 R562H506-E508 PolarHBondContact O-N 2.92Å; E508-N528 WeakPolarHBondContact CB-ND2 3.47Å; E508-N528 PolarHBondContact OE2-ND2 3.08Å; E508-Y532 WeakPolarHBondContact O-CE2 3.28Å; E508-Y532 PolarHBondContact O-OH 3.44Å; E508-R562 IonicContact OE1-CZ 3.09Å; E508-R562 VanDerWaalsContact OE1-CZ 3.29Å; E508-R562 IonicContact OE1-NH1 3.59Å; E508-R562 PolarHBondContact OE1-NH1 3.09Å; E508-R562 IonicContact OE1-NH2 3.87Å; E508-R562 PolarHBondContact OE1-NH2 3.27Å; E508-R562 IonicContact OE2-CZ 2.69Å; E508-R562 IonicContact OE2-NH1 3.86Å; E508-R562 PolarHBondContact OE2-NH1 2.87Å; E508-R562 IonicContact OE2-NH2 3.52Å
509P91.3Very high85.7Confident24 Ų2460.3 Ų60.316%0.15637%0.365CS..PPolyproline II helixtrans-68.8163.7176.429.6-34.2000111.9I507 D511 N528 Y589 Q591I507-P509 WeakPolarHBondContact O-CD 3.34Å; P509-D511 PolarHBondContact O-N 3.37Å; P509-D511 VanDerWaalsContact O-N 3.09Å; P509-N528 PolarHBondContact O-ND2 3.21Å; P509-Y589 CarbonylContact C-O 3.52Å; P509-Y589 VanDerWaalsContact CA-O 3.32Å; P509-Y589 WeakPolarHBondContact CA-O 3.06Å; P509-Y589 VanDerWaalsContact CB-O 3.23Å; P509-Y589 WeakPolarHBondContact CB-O 3.28Å; P509-Q591 HydrophobicContact CB-CG 4.03Å; P509-Q591 VanDerWaalsContact CG-CD 3.47Å; P509-Q591 HydrophobicContact CG-CG 3.77Å
510I91.9Very high85.8Confident0 Ų063.3 Ų63.30%037%0.37CS..EExtended strand (participates in β ladder)trans-70.2101.6170.3-54.2176.3000107.9I512 I526 K527 L529 Y532 L579 I585 Y589 Q591I510-I512 HydrophobicContact CG2-CG1 4.5Å; I510-I512 PolarHBondContact O-N 2.87Å; I510-I526 HydrophobicContact CG2-CG2 3.64Å; I510-K527 WeakPolarHBondContact CG2-O 3.46Å; I510-L529 HydrophobicContact CD1-CD2 4.23Å; I510-L529 HydrophobicContact CG2-CD2 4.06Å; I510-Y532 HydrophobicContact CD1-CD2 3.86Å; I510-Y532 HydrophobicContact CD1-CE2 4.27Å; I510-Y532 HydrophobicContact CD1-CG 4.31Å; I510-Y532 HydrophobicContact CG1-CD2 3.56Å; I510-Y532 HydrophobicContact CG1-CE2 3.59Å; I510-Y532 HydrophobicContact CG1-CG 4.46Å; I510-L579 HydrophobicContact CD1-CD1 4.08Å; I510-L579 HydrophobicContact CD1-CD2 3.91Å; I510-L579 HydrophobicContact CG2-CD1 3.87Å; I510-I585 HydrophobicContact CD1-CD1 3.83Å; I510-I585 HydrophobicContact CD1-CG2 4.48Å; I510-Y589 PolarHBondContact N-O 2.91Å; I510-Q591 PolarHBondContact O-N 3.3Å
511D91.5Very high85.9Confident28 Ų2868 Ų6815%0.1538%0.38CS..EExtended strand (participates in β ladder)trans-79.3115.1174.3167.945.8000110.4P509 S513 I526 K527 K595P509-D511 PolarHBondContact O-N 3.37Å; P509-D511 VanDerWaalsContact O-N 3.09Å; D511-S513 PolarHBondContact OD2-OG 2.7Å; D511-I526 WeakPolarHBondContact O-CA 3.36Å; D511-K527 HydrophobicContact CB-CB 4.49Å; D511-K527 HydrophobicContact CB-CD 4.32Å; D511-K527 PolarHBondContact O-N 3.27Å; D511-K527 VanDerWaalsContact O-N 3.12Å; D511-K527 WeakPolarHBondContact OD2-CD 3.33Å; D511-K527 WeakPolarHBondContact OD2-CE 3.46Å; D511-K527 IonicContact OD2-NZ 3.19Å; D511-K527 PolarHBondContact OD2-NZ 3.42Å; D511-K595 IonicContact OD1-NZ 2.8Å
512I93.5Very high86.2Confident0 Ų070.7 Ų70.70%039%0.386CS..EExtended strand (participates in β ladder)trans-98.7115.5167.7-46.1171.7000108.3I510 T524 L525 V572 V575 L579 I590 Q591 G592 L593 K595I510-I512 HydrophobicContact CG2-CG1 4.5Å; I510-I512 PolarHBondContact O-N 2.87Å; I512-T524 HydrophobicContact CG2-CG2 3.82Å; I512-L525 WeakPolarHBondContact CA-O 3.34Å; I512-V572 HydrophobicContact CG2-CB 4.38Å; I512-V572 HydrophobicContact CG2-CG1 4.3Å; I512-V572 HydrophobicContact CG2-CG2 3.83Å; I512-V575 HydrophobicContact CD1-CB 4.28Å; I512-V575 HydrophobicContact CD1-CG1 3.66Å; I512-V575 HydrophobicContact CG1-CG1 4.16Å; I512-L579 HydrophobicContact CD1-CD1 4.16Å; I512-I590 HydrophobicContact CD1-CG2 3.64Å; I512-I590 HydrophobicContact CG1-CG2 4.25Å; I512-Q591 WeakPolarHBondContact CB-O 3.48Å; I512-Q591 PolarHBondContact N-O 3.3Å; I512-G592 WeakPolarHBondContact O-CA 3.13Å; I512-L593 HydrophobicContact CD1-CD2 3.76Å; I512-L593 HydrophobicContact CD1-CG 4.42Å; I512-K595 PolarHBondContact O-NZ 2.95Å
513S91.3Very high86.5Confident23 Ų2367.8 Ų67.816%0.16137%0.368CS..EExtended strand (participates in β ladder)trans-125.6149.2178.745.40000111.6D511 T524 L525D511-S513 PolarHBondContact OD2-OG 2.7Å; S513-T524 CarbonylContact O-C 3.6Å; S513-L525 PolarHBondContact N-O 3.44Å; S513-L525 PolarHBondContact O-N 3.11Å
514V91.4Very high86.9Confident47 Ų4764.2 Ų64.229%0.28535%0.353SS..EExtended strand (participates in β ladder)trans-116.6118.2178.8-177.20000108.4K522 V523 N570 V572 K595V514-K522 HydrophobicContact CG1-CB 4.14Å; V514-K522 HydrophobicContact CG1-CD 4.29Å; V514-K522 HydrophobicContact CG1-CG 4.44Å; V514-V523 WeakPolarHBondContact CA-O 3.34Å; V514-N570 HydrophobicContact CG1-CB 4.22Å; V514-V572 HydrophobicContact CG2-CG2 3.47Å; V514-V572 VanDerWaalsContact CG2-CG2 3.47Å; V514-K595 HydrophobicContact CG2-CB 4.45Å
515A89Confident87.2Confident35 Ų3557.7 Ų57.729%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-111.2157.2178.400000110.8K522 V523 L525A515-K522 CarbonylContact O-C 3.55Å; A515-K522 WeakPolarHBondContact O-CA 3.21Å; A515-V523 HydrophobicContact CB-CG2 4.1Å; A515-V523 PolarHBondContact N-O 3.36Å; A515-V523 PolarHBondContact O-N 2.92Å; A515-L525 HydrophobicContact CB-CD1 3.85Å
516S88.4Confident87.5Confident77 Ų7756.4 Ų56.454%0.53831%0.312SS..EExtended strand (participates in β ladder)trans-102.7124.8168.4-160.10000109.5G518 K521S516-G518 PolarHBondContact OG-O 2.89Å; S516-K521 WeakPolarHBondContact CA-O 3.44Å
517R79.9Confident87.8Confident121 Ų12153.9 Ų53.946%0.45730%0.299SS..  trans-110.791.6174.6-73.4-166.7-179.9-163.66.8109.3K521 V523 Q566R517-K521 PolarHBondContact N-O 3.35Å; R517-V523 HydrophobicContact CG-CG2 4Å; R517-Q566 VanDerWaalsContact NH1-OE1 3.09Å
518G76.6Confident88Confident61 Ų6154 Ų5463%0.62930%0.3SS*.SBendtrans84-168.3-173.300000113.1S516 N520S516-G518 PolarHBondContact OG-O 2.89Å; G518-N520 PolarHBondContact O-N 2.9Å
519S67.4Low88Confident110 Ų11050.2 Ų50.277%0.76928%0.282SS*.SBendtrans-63.8117.4-176.7-172.30000111.4K521S519-K521 PolarHBondContact O-N 2.9Å
520N80.1Confident87.8Confident150 Ų15051.2 Ų51.280%0.80229%0.285SS*.SBendtrans53.4-5.4176.9-66.5-17000118.7G518 K522G518-N520 PolarHBondContact O-N 2.9Å; N520-K522 PolarHBondContact O-N 2.85Å; N520-K522 VanDerWaalsContact O-N 3.17Å
521K87.1Confident87.5Confident154 Ų15451.6 Ų51.667%0.6729%0.287SS*.  trans-77.999.6177.5-69.3-175.1-179.1-175.90111.3S516 R517 S519S516-K521 WeakPolarHBondContact CA-O 3.44Å; R517-K521 PolarHBondContact N-O 3.35Å; S519-K521 PolarHBondContact O-N 2.9Å
522K90.3Very high87.3Confident119 Ų11950.4 Ų50.452%0.51728%0.281SS..EExtended strand (participates in β ladder)trans-76.4146.3171-63.6-178.4-177.7179.60111.3V514 A515 N520 G569 N570V514-K522 HydrophobicContact CG1-CB 4.14Å; V514-K522 HydrophobicContact CG1-CD 4.29Å; V514-K522 HydrophobicContact CG1-CG 4.44Å; A515-K522 CarbonylContact O-C 3.55Å; A515-K522 WeakPolarHBondContact O-CA 3.21Å; N520-K522 PolarHBondContact O-N 2.85Å; N520-K522 VanDerWaalsContact O-N 3.17Å; K522-G569 VanDerWaalsContact O-CA 3.29Å; K522-G569 WeakPolarHBondContact O-CA 3.45Å; K522-G569 PolarHBondContact O-N 2.86Å; K522-N570 HydrophobicContact CD-CB 4.4Å
523V92.2Very high86.9Confident10 Ų1052.5 Ų52.56%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-132.8142.6169.5-61.10000109.4V514 A515 R517 L525 Q566 I567 G569V514-V523 WeakPolarHBondContact CA-O 3.34Å; A515-V523 HydrophobicContact CB-CG2 4.1Å; A515-V523 PolarHBondContact N-O 3.36Å; A515-V523 PolarHBondContact O-N 2.92Å; R517-V523 HydrophobicContact CG-CG2 4Å; V523-L525 HydrophobicContact CG2-CD2 4.07Å; V523-L525 HydrophobicContact CG2-CG 4.42Å; V523-Q566 HydrophobicContact CB-CG 4.11Å; V523-Q566 HydrophobicContact CG2-CG 4.42Å; V523-I567 CarbonylContact C-O 3.55Å; V523-I567 WeakPolarHBondContact CA-O 3.37Å; V523-G569 CarbonylContact C-O 3.59Å; V523-G569 VanDerWaalsContact C-O 3.31Å; V523-G569 WeakPolarHBondContact CA-O 3.38Å
524T92.8Very high86.7Confident0 Ų051.8 Ų51.80%030%0.296CS..EExtended strand (participates in β ladder)trans-96.5136.8174.7-530000108.6I512 S513 Q566 I567 G569 N570 Q571 V572 V575I512-T524 HydrophobicContact CG2-CG2 3.82Å; S513-T524 CarbonylContact O-C 3.6Å; T524-Q566 CarbonylContact O-C 3.57Å; T524-Q566 WeakPolarHBondContact O-CA 3.38Å; T524-I567 PolarHBondContact N-O 3.37Å; T524-I567 PolarHBondContact O-N 2.88Å; T524-G569 PolarHBondContact N-O 2.9Å; T524-G569 PolarHBondContact OG1-O 2.9Å; T524-N570 WeakPolarHBondContact OG1-CA 3.28Å; T524-Q571 PolarHBondContact OG1-N 3.17Å; T524-V572 HydrophobicContact CG2-CG2 4.24Å; T524-V575 HydrophobicContact CG2-CG2 4.4Å
525L92Very high86.4Confident21 Ų2153.8 Ų53.811%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-126.1123.5-172.6-59.6-176.4000108.1I512 S513 A515 V523 L564 V565 Q566I512-L525 WeakPolarHBondContact CA-O 3.34Å; S513-L525 PolarHBondContact N-O 3.44Å; S513-L525 PolarHBondContact O-N 3.11Å; A515-L525 HydrophobicContact CB-CD1 3.85Å; V523-L525 HydrophobicContact CG2-CD2 4.07Å; V523-L525 HydrophobicContact CG2-CG 4.42Å; L525-L564 HydrophobicContact CB-CD1 3.92Å; L525-L564 HydrophobicContact CD2-CD2 4.13Å; L525-V565 WeakPolarHBondContact CA-O 3.2Å; L525-Q566 HydrophobicContact CD2-CB 3.76Å; L525-Q566 HydrophobicContact CD2-CG 3.68Å
526I92.6Very high86.4Confident1 Ų152.7 Ų52.71%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-122.1126.5-177-42.9166.1000108.8I510 D511 L529 L543 L564 V565 I567 V575I510-I526 HydrophobicContact CG2-CG2 3.64Å; D511-I526 WeakPolarHBondContact O-CA 3.36Å; I526-L529 HydrophobicContact CG2-CD1 4.26Å; I526-L529 HydrophobicContact CG2-CD2 3.96Å; I526-L529 HydrophobicContact CG2-CG 4.12Å; I526-L543 HydrophobicContact CD1-CD1 3.57Å; I526-L564 WeakPolarHBondContact O-CD1 3.27Å; I526-V565 HydrophobicContact CB-CB 4.26Å; I526-V565 HydrophobicContact CD1-CB 4.38Å; I526-V565 HydrophobicContact CD1-CG1 4.29Å; I526-V565 PolarHBondContact N-O 3.23Å; I526-V565 PolarHBondContact O-N 2.92Å; I526-I567 HydrophobicContact CD1-CD1 3.94Å; I526-V575 HydrophobicContact CD1-CB 4.37Å; I526-V575 HydrophobicContact CD1-CG1 3.64Å; I526-V575 HydrophobicContact CD1-CG2 3.7Å; I526-V575 HydrophobicContact CG1-CG1 4.13Å; I526-V575 HydrophobicContact CG1-CG2 4.38Å
527K91.4Very high86.4Confident64 Ų6450.9 Ų50.928%0.27829%0.285SS..  trans-118.4164.7-178.7-57.3170.3-165.6151.70111.4I510 D511 L529 L556 L564I510-K527 WeakPolarHBondContact CG2-O 3.46Å; D511-K527 HydrophobicContact CB-CB 4.49Å; D511-K527 HydrophobicContact CB-CD 4.32Å; D511-K527 PolarHBondContact O-N 3.27Å; D511-K527 VanDerWaalsContact O-N 3.12Å; D511-K527 WeakPolarHBondContact OD2-CD 3.33Å; D511-K527 WeakPolarHBondContact OD2-CE 3.46Å; D511-K527 IonicContact OD2-NZ 3.19Å; D511-K527 PolarHBondContact OD2-NZ 3.42Å; K527-L529 VanDerWaalsContact C-N 3.28Å; K527-L529 PolarHBondContact O-N 2.8Å; K527-L556 HydrophobicContact CG-CD1 4.33Å; K527-L564 HydrophobicContact CD-CD1 4.47Å; K527-L564 HydrophobicContact CG-CD1 3.47Å; K527-L564 VanDerWaalsContact CG-CD1 3.47Å
528N89.7Confident86.8Confident9 Ų947 Ų475%0.04828%0.275CS..  trans64.323.9165.8-59.5-19000115.3E508 P509 E530 V531 Y532 R562E508-N528 WeakPolarHBondContact CB-ND2 3.47Å; E508-N528 PolarHBondContact OE2-ND2 3.08Å; P509-N528 PolarHBondContact O-ND2 3.21Å; N528-E530 WeakPolarHBondContact CA-OE2 3.41Å; N528-E530 PolarHBondContact O-N 3.28Å; N528-V531 HydrophobicContact CB-CG2 3.89Å; N528-V531 WeakPolarHBondContact O-CB 3.49Å; N528-V531 PolarHBondContact O-N 2.8Å; N528-Y532 WeakPolarHBondContact O-CD2 3.29Å; N528-R562 PolarHBondContact OD1-NH1 3.34Å
529L88.1Confident87.4Confident0 Ų044.2 Ų44.20%025%0.245CC..G310 helixtrans-60.2-34.9174.3-67171.6000111.5I510 I526 K527 V531 Y532 G533 L534 P536 V539 V565 L579I510-L529 HydrophobicContact CD1-CD2 4.23Å; I510-L529 HydrophobicContact CG2-CD2 4.06Å; I526-L529 HydrophobicContact CG2-CD1 4.26Å; I526-L529 HydrophobicContact CG2-CD2 3.96Å; I526-L529 HydrophobicContact CG2-CG 4.12Å; K527-L529 VanDerWaalsContact C-N 3.28Å; K527-L529 PolarHBondContact O-N 2.8Å; L529-V531 PolarHBondContact O-N 3.07Å; L529-Y532 CarbonylContact O-C 3.55Å; L529-Y532 PolarHBondContact O-N 3.34Å; L529-G533 PolarHBondContact O-N 3.03Å; L529-L534 CarbonylContact C-O 3.53Å; L529-L534 HydrophobicContact CB-CB 4.11Å; L529-L534 HydrophobicContact CD2-CD1 3.98Å; L529-L534 PolarHBondContact O-N 3.43Å; L529-P536 HydrophobicContact CB-CG 4.46Å; L529-P536 HydrophobicContact CD1-CB 4.43Å; L529-V539 HydrophobicContact CD1-CB 4.08Å; L529-V539 HydrophobicContact CD1-CG1 3.84Å; L529-V539 HydrophobicContact CD1-CG2 4.43Å; L529-V539 HydrophobicContact CD2-CG1 4.42Å; L529-V565 HydrophobicContact CD1-CB 4.49Å; L529-V565 HydrophobicContact CD1-CG2 3.63Å; L529-L579 HydrophobicContact CD2-CD2 4.16Å
530E86.6Confident88.5Confident46 Ų4639.3 Ų39.322%0.21521%0.212CC..G310 helixtrans-69.5-19.4-178.5-40.591.4142.900112.7N528 Y532 G533 P536 R562 V563N528-E530 WeakPolarHBondContact CA-OE2 3.41Å; N528-E530 PolarHBondContact O-N 3.28Å; E530-Y532 PolarHBondContact O-N 2.65Å; E530-G533 PolarHBondContact O-N 2.86Å; E530-P536 HydrophobicContact CG-CG 3.78Å; E530-R562 VanDerWaalsContact OE1-CA 3.3Å; E530-R562 WeakPolarHBondContact OE1-CA 3.29Å; E530-V563 PolarHBondContact OE1-N 3.39Å
531V86.4Confident89Confident8 Ų835.8 Ų35.85%0.04820%0.196CC..G310 helixtrans-65.2-33.1172.8-179.20000110.2Y491 I507 N528 L529Y491-V531 HydrophobicContact CE2-CG1 4.29Å; I507-V531 HydrophobicContact CD1-CG1 4.04Å; I507-V531 HydrophobicContact CG1-CG1 3.65Å; N528-V531 HydrophobicContact CB-CG2 3.89Å; N528-V531 WeakPolarHBondContact O-CB 3.49Å; N528-V531 PolarHBondContact O-N 2.8Å; L529-V531 PolarHBondContact O-N 3.07Å
532Y87.1Confident89.1Confident2 Ų230.1 Ų30.11%0.00818%0.178CC..G310 helixtrans-99.511.8-179.8-59-88.6000112.6Y395 I400 F495 I507 E508 I510 N528 L529 E530 L534 I585 Y589Y395-Y532 WeakPolarHBondContact CE2-O 3.4Å; Y395-Y532 PolarHBondContact OH-O 2.84Å; Y395-Y532 VanDerWaalsContact OH-O 3.06Å; I400-Y532 HydrophobicContact CD1-CD1 3.89Å; I400-Y532 HydrophobicContact CD1-CE1 3.63Å; F495-Y532 WeakPolarHBondContact CE1-O 3.34Å; I507-Y532 HydrophobicContact CD1-CE1 3.8Å; E508-Y532 WeakPolarHBondContact O-CE2 3.28Å; E508-Y532 PolarHBondContact O-OH 3.44Å; I510-Y532 HydrophobicContact CD1-CD2 3.86Å; I510-Y532 HydrophobicContact CD1-CE2 4.27Å; I510-Y532 HydrophobicContact CD1-CG 4.31Å; I510-Y532 HydrophobicContact CG1-CD2 3.56Å; I510-Y532 HydrophobicContact CG1-CE2 3.59Å; I510-Y532 HydrophobicContact CG1-CG 4.46Å; N528-Y532 WeakPolarHBondContact O-CD2 3.29Å; L529-Y532 CarbonylContact O-C 3.55Å; L529-Y532 PolarHBondContact O-N 3.34Å; E530-Y532 PolarHBondContact O-N 2.65Å; Y532-L534 PolarHBondContact O-N 3.41Å; Y532-I585 HydrophobicContact CD1-CG2 4.44Å; Y532-I585 HydrophobicContact CG-CD1 4.37Å; Y532-Y589 HydrophobicContact CE1-CD1 4.47Å; Y532-Y589 HydrophobicContact CE1-CD2 4.04Å; Y532-Y589 AromaticContact CE1-CG 3.86Å; Y532-Y589 HydrophobicContact CE1-CG 3.86Å; Y532-Y589 WeakPolarHBondContact OH-CB 3.43Å
533G84.2Confident89Confident44 Ų4424.5 Ų24.545%0.45415%0.153SC..THydrogen-bonded Turntrans71.47178.300000115.3L529 E530L529-G533 PolarHBondContact O-N 3.03Å; E530-G533 PolarHBondContact O-N 2.86Å
534L87.3Confident89Confident8 Ų828.2 Ų28.24%0.04217%0.17CC..  trans-77130.6173.8-66.8176.4000110.3Y395 L529 Y532 P536 V539 L579 Y583 I585Y395-L534 HydrophobicContact CD1-CD2 4.36Å; Y395-L534 HydrophobicContact CD2-CD2 3.6Å; Y395-L534 HydrophobicContact CE1-CD2 4.26Å; Y395-L534 HydrophobicContact CE2-CD2 3.47Å; Y395-L534 VanDerWaalsContact CE2-CD2 3.47Å; Y395-L534 HydrophobicContact CE2-CG 4.03Å; Y395-L534 HydrophobicContact CG-CD2 4.05Å; L529-L534 CarbonylContact C-O 3.53Å; L529-L534 HydrophobicContact CB-CB 4.11Å; L529-L534 HydrophobicContact CD2-CD1 3.98Å; L529-L534 PolarHBondContact O-N 3.43Å; Y532-L534 PolarHBondContact O-N 3.41Å; L534-P536 WeakPolarHBondContact O-CD 3.16Å; L534-V539 HydrophobicContact CB-CG2 4Å; L534-V539 HydrophobicContact CD1-CG2 4.3Å; L534-V539 HydrophobicContact CD2-CG2 4.5Å; L534-L579 HydrophobicContact CD1-CD2 3.9Å; L534-Y583 HydrophobicContact CD1-CD2 4.19Å; L534-Y583 HydrophobicContact CD1-CE2 4.5Å; L534-Y583 HydrophobicContact CD1-CG 4.41Å; L534-Y583 HydrophobicContact CD2-CD1 3.62Å; L534-Y583 HydrophobicContact CD2-CD2 4.16Å; L534-Y583 HydrophobicContact CD2-CE1 3.67Å; L534-Y583 HydrophobicContact CD2-CE2 4.2Å; L534-Y583 HydrophobicContact CD2-CG 3.87Å; L534-I585 HydrophobicContact CD1-CD1 3.75Å
535D85.4Confident88.8Confident90 Ų9034.2 Ų34.248%0.48120%0.198SC..  trans-73.1119.5171.2-172.9-24.5000110.2A537 V538 V539D535-A537 PolarHBondContact O-N 2.96Å; D535-A537 WeakPolarHBondContact OD1-CB 3.31Å; D535-A537 PolarHBondContact OD1-N 3.43Å; D535-V538 HydrophobicContact CB-CB 4.16Å; D535-V538 HydrophobicContact CB-CG2 3.9Å; D535-V538 PolarHBondContact O-N 2.88Å; D535-V539 WeakPolarHBondContact O-CG2 3.43Å; D535-V539 PolarHBondContact O-N 2.87Å
536P89.2Confident88.6Confident12 Ų1238.2 Ų38.28%0.07821%0.211CC..Hα-helixtrans-54.7-30.6175.4-26.837000114.2L529 E530 L534 A540 L553 V563 V565L529-P536 HydrophobicContact CB-CG 4.46Å; L529-P536 HydrophobicContact CD1-CB 4.43Å; E530-P536 HydrophobicContact CG-CG 3.78Å; L534-P536 WeakPolarHBondContact O-CD 3.16Å; P536-A540 WeakPolarHBondContact O-CB 3.45Å; P536-A540 PolarHBondContact O-N 3.47Å; P536-L553 HydrophobicContact CB-CD2 4.2Å; P536-V563 HydrophobicContact CB-CB 4.1Å; P536-V563 HydrophobicContact CB-CG1 4.09Å; P536-V563 HydrophobicContact CG-CB 4.07Å; P536-V565 HydrophobicContact CB-CG2 3.83Å; P536-V565 WeakPolarHBondContact O-CG2 3.28Å
537A87.6Confident88.3Confident38 Ų3839.4 Ų39.431%0.31422%0.218SC..Hα-helixtrans-74.3-42.4179.400000112.7D535 A540 T541 L553D535-A537 PolarHBondContact O-N 2.96Å; D535-A537 WeakPolarHBondContact OD1-CB 3.31Å; D535-A537 PolarHBondContact OD1-N 3.43Å; A537-A540 PolarHBondContact O-N 3.38Å; A537-T541 WeakPolarHBondContact O-CB 3.49Å; A537-T541 PolarHBondContact O-N 2.97Å; A537-T541 PolarHBondContact O-OG1 3.4Å; A537-L553 HydrophobicContact CB-CD1 4Å
538V88.6Confident88.2Confident41 Ų4144 Ų4425%0.24824%0.241CC..Hα-helixtrans-64.8-48.3174.5178.60000109.8D535 A540 T541 A542D535-V538 HydrophobicContact CB-CB 4.16Å; D535-V538 HydrophobicContact CB-CG2 3.9Å; D535-V538 PolarHBondContact O-N 2.88Å; V538-A540 PolarHBondContact O-N 3.48Å; V538-T541 PolarHBondContact O-N 3.4Å; V538-T541 VanDerWaalsContact O-N 3.13Å; V538-A542 WeakPolarHBondContact O-CB 3.27Å; V538-A542 PolarHBondContact O-N 3.16Å
539V90.3Very high88.1Confident1 Ų144.5 Ų44.51%0.00625%0.247CC..Hα-helixtrans-61.2-41.4177.2174.40000111.8L529 L534 D535 T541 L543 L578 Y583L529-V539 HydrophobicContact CD1-CB 4.08Å; L529-V539 HydrophobicContact CD1-CG1 3.84Å; L529-V539 HydrophobicContact CD1-CG2 4.43Å; L529-V539 HydrophobicContact CD2-CG1 4.42Å; L534-V539 HydrophobicContact CB-CG2 4Å; L534-V539 HydrophobicContact CD1-CG2 4.3Å; L534-V539 HydrophobicContact CD2-CG2 4.5Å; D535-V539 WeakPolarHBondContact O-CG2 3.43Å; D535-V539 PolarHBondContact O-N 2.87Å; V539-T541 VanDerWaalsContact C-N 3.34Å; V539-T541 PolarHBondContact O-N 3.06Å; V539-L543 HydrophobicContact CG1-CD1 3.68Å; V539-L543 HydrophobicContact CG1-CG 4.42Å; V539-L543 WeakPolarHBondContact O-CB 3.4Å; V539-L543 WeakPolarHBondContact O-CD1 3.42Å; V539-L543 VanDerWaalsContact O-CG 3.25Å; V539-L543 WeakPolarHBondContact O-CG 3.35Å; V539-L543 PolarHBondContact O-N 3.4Å; V539-L578 HydrophobicContact CG1-CD2 4.44Å; V539-Y583 HydrophobicContact CG2-CE2 4Å
540A90.4Very high88.2Confident7 Ų747.6 Ų47.66%0.05827%0.268CS..Hα-helixtrans-62.6-39.8174.900000112.4P536 A537 V538 Q544 A551 L553 V565P536-A540 WeakPolarHBondContact O-CB 3.45Å; P536-A540 PolarHBondContact O-N 3.47Å; A537-A540 PolarHBondContact O-N 3.38Å; V538-A540 PolarHBondContact O-N 3.48Å; A540-Q544 VanDerWaalsContact O-CB 3.29Å; A540-Q544 WeakPolarHBondContact O-CB 3.45Å; A540-Q544 PolarHBondContact O-N 2.85Å; A540-A551 HydrophobicContact CB-CB 4.06Å; A540-A551 WeakPolarHBondContact O-CB 3.45Å; A540-L553 HydrophobicContact CB-CD2 3.82Å; A540-V565 HydrophobicContact CB-CG1 3.8Å; A540-V565 HydrophobicContact CB-CG2 4.35Å
541T89.3Confident88.4Confident77 Ų7746.1 Ų46.147%0.47226%0.264SS..Hα-helixtrans-68.2-50.2178.7-56.30000110.8A537 V538 V539 L543 Q544 H545A537-T541 WeakPolarHBondContact O-CB 3.49Å; A537-T541 PolarHBondContact O-N 2.97Å; A537-T541 PolarHBondContact O-OG1 3.4Å; V538-T541 PolarHBondContact O-N 3.4Å; V538-T541 VanDerWaalsContact O-N 3.13Å; V539-T541 VanDerWaalsContact C-N 3.34Å; V539-T541 PolarHBondContact O-N 3.06Å; T541-L543 VanDerWaalsContact C-N 3.3Å; T541-L543 PolarHBondContact O-N 2.76Å; T541-Q544 WeakPolarHBondContact O-CB 3.5Å; T541-Q544 PolarHBondContact O-N 2.71Å; T541-Q544 VanDerWaalsContact O-N 3.12Å; T541-H545 PolarHBondContact O-CD2 3.17Å; T541-H545 VanDerWaalsContact O-CD2 3.3Å; T541-H545 PolarHBondContact O-N 2.71Å
542A88.7Confident88.6Confident35 Ų3548.7 Ų48.729%0.28928%0.279SS..Hα-helixtrans-56.6-42.5175.700000112.1V538 H545 R546 L578V538-A542 WeakPolarHBondContact O-CB 3.27Å; V538-A542 PolarHBondContact O-N 3.16Å; A542-H545 PolarHBondContact O-N 2.97Å; A542-R546 WeakPolarHBondContact O-CB 3.5Å; A542-R546 PolarHBondContact O-N 2.89Å; A542-L578 HydrophobicContact CB-CD2 4.26Å
543L90Very high88.7Confident0 Ų052.4 Ų52.40%030%0.299CS..Hα-helixtrans-69.8-38.2175.7-70.8167.6000112.6I526 V539 T541 H545 R546 V547 I567 V575 L578I526-L543 HydrophobicContact CD1-CD1 3.57Å; V539-L543 HydrophobicContact CG1-CD1 3.68Å; V539-L543 HydrophobicContact CG1-CG 4.42Å; V539-L543 WeakPolarHBondContact O-CB 3.4Å; V539-L543 WeakPolarHBondContact O-CD1 3.42Å; V539-L543 VanDerWaalsContact O-CG 3.25Å; V539-L543 WeakPolarHBondContact O-CG 3.35Å; V539-L543 PolarHBondContact O-N 3.4Å; T541-L543 VanDerWaalsContact C-N 3.3Å; T541-L543 PolarHBondContact O-N 2.76Å; L543-H545 VanDerWaalsContact C-N 3.32Å; L543-H545 PolarHBondContact O-N 3.38Å; L543-R546 PolarHBondContact O-N 3.09Å; L543-V547 WeakPolarHBondContact O-CB 3.37Å; L543-V547 WeakPolarHBondContact O-CG2 3.41Å; L543-V547 PolarHBondContact O-N 3.39Å; L543-I567 HydrophobicContact CB-CD1 3.63Å; L543-I567 HydrophobicContact CD1-CD1 3.53Å; L543-I567 HydrophobicContact CG-CD1 4.1Å; L543-V575 HydrophobicContact CD1-CG2 4.17Å; L543-V575 HydrophobicContact CD2-CG2 4.13Å; L543-L578 HydrophobicContact CD1-CD2 4.2Å; L543-L578 HydrophobicContact CD2-CB 4.14Å; L543-L578 HydrophobicContact CD2-CD2 3.56Å; L543-L578 HydrophobicContact CD2-CG 4.47Å; L543-L578 HydrophobicContact CG-CD2 3.56Å
544Q90.5Very high88.7Confident88 Ų8853 Ų5341%0.41129%0.29SS..Hα-helixtrans-59.1-43.1174.1173.1163.4-38.500111.4A540 T541 Q548 A549 A551A540-Q544 VanDerWaalsContact O-CB 3.29Å; A540-Q544 WeakPolarHBondContact O-CB 3.45Å; A540-Q544 PolarHBondContact O-N 2.85Å; T541-Q544 WeakPolarHBondContact O-CB 3.5Å; T541-Q544 PolarHBondContact O-N 2.71Å; T541-Q544 VanDerWaalsContact O-N 3.12Å; Q544-Q548 WeakPolarHBondContact O-CA 3.35Å; Q544-Q548 PolarHBondContact O-N 3.27Å; Q544-A549 WeakPolarHBondContact CG-O 3.37Å; Q544-A551 HydrophobicContact CB-CB 4.1Å
545H88.7Confident88.4Confident127 Ų12759.2 Ų59.259%0.58832%0.322SS*.Hα-helixtrans-69.5-43.4174.7-77.7-85.8000113T541 A542 L543 V547 Q548T541-H545 PolarHBondContact O-CD2 3.17Å; T541-H545 VanDerWaalsContact O-CD2 3.3Å; T541-H545 PolarHBondContact O-N 2.71Å; A542-H545 PolarHBondContact O-N 2.97Å; L543-H545 VanDerWaalsContact C-N 3.32Å; L543-H545 PolarHBondContact O-N 3.38Å; H545-V547 VanDerWaalsContact C-N 3.35Å; H545-V547 PolarHBondContact O-N 2.69Å; H545-Q548 PolarHBondContact O-NE2 3.28Å
546R87.5Confident88Confident105 Ų10556.5 Ų56.540%0.39631%0.307SS..Hα-helixtrans-69.3-29.8-179.5-164.3178.1-166.9177.87.8113.3A542 L543 N577 L578 D581A542-R546 WeakPolarHBondContact O-CB 3.5Å; A542-R546 PolarHBondContact O-N 2.89Å; L543-R546 PolarHBondContact O-N 3.09Å; R546-N577 PolarHBondContact NH1-O 3.15Å; R546-L578 VanDerWaalsContact NH1-CA 3.33Å; R546-L578 VanDerWaalsContact NH1-N 3.12Å; R546-D581 IonicContact NH2-OD2 2.75Å
547V88.3Confident86.4Confident25 Ų2562 Ų6215%0.15234%0.343CS..Hα-helixtrans-102.2-19.5-174.3-178.20000112.8L543 H545 A549 I567 Q571 Q574L543-V547 WeakPolarHBondContact O-CB 3.37Å; L543-V547 WeakPolarHBondContact O-CG2 3.41Å; L543-V547 PolarHBondContact O-N 3.39Å; H545-V547 VanDerWaalsContact C-N 3.35Å; H545-V547 PolarHBondContact O-N 2.69Å; V547-A549 VanDerWaalsContact C-N 3.26Å; V547-A549 HydrophobicContact CB-CB 4.43Å; V547-A549 HydrophobicContact CG1-CB 3.72Å; V547-A549 PolarHBondContact O-N 3.48Å; V547-I567 HydrophobicContact CG1-CG2 4.44Å; V547-Q571 HydrophobicContact CG1-CB 4.41Å; V547-Q571 HydrophobicContact CG1-CG 3.73Å; V547-Q571 VanDerWaalsContact CG1-NE2 3.31Å; V547-Q574 HydrophobicContact CG2-CB 3.85Å; V547-Q574 HydrophobicContact CG2-CG 4.23Å
548Q87.7Confident85.2Confident160 Ų16064.7 Ų64.775%0.74837%0.374SS*.THydrogen-bonded Turntrans5640.6-172.5-61.3-67-49.400112.4Q544 H545Q544-Q548 WeakPolarHBondContact O-CA 3.35Å; Q544-Q548 PolarHBondContact O-N 3.27Å; H545-Q548 PolarHBondContact O-NE2 3.28Å
549A88.8Confident84.1Confident21 Ų2164.2 Ų64.217%0.17437%0.374CS..SBendtrans-137.5150.5-17900000111.2Q544 V547 A551 I567 Q568Q544-A549 WeakPolarHBondContact CG-O 3.37Å; V547-A549 VanDerWaalsContact C-N 3.26Å; V547-A549 HydrophobicContact CB-CB 4.43Å; V547-A549 HydrophobicContact CG1-CB 3.72Å; V547-A549 PolarHBondContact O-N 3.48Å; A549-A551 PolarHBondContact O-N 3.18Å; A549-I567 HydrophobicContact CB-CG2 4.36Å; A549-Q568 HydrophobicContact CB-CB 4.41Å
550S88.8Confident82.7Confident64 Ų6471.9 Ų71.945%0.44841%0.408SS..  trans-60126.2178.71750000111.6Q568S550-Q568 PolarHBondContact O-N 2.87Å; S550-Q568 VanDerWaalsContact O-N 3.08Å
551A91.7Very high81.5Confident16 Ų1677.3 Ų77.313%0.13244%0.436CS..EExtended strand (participates in β ladder)trans-101.8147.9165.200000110.4A540 Q544 A549 Q566 I567A540-A551 HydrophobicContact CB-CB 4.06Å; A540-A551 WeakPolarHBondContact O-CB 3.45Å; Q544-A551 HydrophobicContact CB-CB 4.1Å; A549-A551 PolarHBondContact O-N 3.18Å; A551-Q566 CarbonylContact C-O 3.53Å; A551-Q566 VanDerWaalsContact CA-O 3.29Å; A551-Q566 WeakPolarHBondContact CA-O 3.2Å; A551-I567 HydrophobicContact CB-CG1 4.06Å
552V89.7Confident81Confident61 Ų6176.7 Ų76.737%0.3743%0.425SS..EExtended strand (participates in β ladder)trans-143.6130.6-179.5-179.70000109.3Q566V552-Q566 PolarHBondContact N-O 3.13Å; V552-Q566 PolarHBondContact O-N 3.43Å
553L89.8Confident80.9Confident80 Ų8076.8 Ų76.842%0.41942%0.422SS..EExtended strand (participates in β ladder)trans-85.8133.5172.7-57.4-178.4000110.4P536 A537 A540 V563 V565P536-L553 HydrophobicContact CB-CD2 4.2Å; A537-L553 HydrophobicContact CB-CD1 4Å; A540-L553 HydrophobicContact CB-CD2 3.82Å; L553-V563 HydrophobicContact CB-CG1 3.78Å; L553-V563 HydrophobicContact CD2-CG1 4.02Å; L553-V563 HydrophobicContact CG-CG1 4.32Å; L553-V565 HydrophobicContact CD2-CG2 3.86Å
554Q84.8Confident80.8Confident56 Ų5677.4 Ų77.426%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-129.8127.6175.4-81.3165.436.900109.9L556 L564Q554-L556 PolarHBondContact O-N 3.18Å; Q554-L564 HydrophobicContact CB-CB 4.31Å; Q554-L564 HydrophobicContact CB-CD2 4.44Å; Q554-L564 PolarHBondContact N-O 3.17Å; Q554-L564 WeakPolarHBondContact O-CB 3.11Å; Q554-L564 PolarHBondContact O-N 3.34Å
555I81.4Confident80.9Confident140 Ų14073.2 Ų73.272%0.71841%0.405SS*.EExtended strand (participates in β ladder)trans-69.9132.4175.8-57.1172.2000108.9P557I555-P557 WeakPolarHBondContact O-CD 2.99Å
556L75.4Confident81.1Confident32 Ų3268.3 Ų68.317%0.16838%0.383CS..PPolyproline II helixtrans-77120.3-177.7-79.2169.1000111.5K527 Q554 G558 A559 R562 L564K527-L556 HydrophobicContact CG-CD1 4.33Å; Q554-L556 PolarHBondContact O-N 3.18Å; L556-G558 PolarHBondContact O-N 2.94Å; L556-A559 HydrophobicContact CB-CB 4.4Å; L556-A559 PolarHBondContact O-N 2.97Å; L556-R562 HydrophobicContact CB-CB 4.43Å; L556-R562 HydrophobicContact CD1-CB 4.03Å; L556-R562 PolarHBondContact N-O 3.15Å; L556-L564 HydrophobicContact CD1-CB 4.5Å; L556-L564 HydrophobicContact CD2-CB 3.89Å; L556-L564 HydrophobicContact CD2-CD2 4.35Å; L556-L564 HydrophobicContact CG-CB 3.96Å
557P56.9Low81.3Confident129 Ų12963.3 Ų63.384%0.83836%0.364SS*.THydrogen-bonded Turntrans-67.5123.6178.227.7-33.5000110.6I555I555-P557 WeakPolarHBondContact O-CD 2.99Å
558G62.5Low81.4Confident93 Ų9367.9 Ų67.996%0.95938%0.384SS*.THydrogen-bonded Turntrans100.1-14.5178.300000115.4L556L556-G558 PolarHBondContact O-N 2.94Å
559A65.9Low81.5Confident31 Ų3161.2 Ų61.226%0.25636%0.358SS..SBendtrans-109125.2173.700000110.2L556 D561 R562L556-A559 HydrophobicContact CB-CB 4.4Å; L556-A559 PolarHBondContact O-N 2.97Å; A559-D561 PolarHBondContact O-N 3.24Å; A559-R562 HydrophobicContact CB-CB 4.02Å; A559-R562 HydrophobicContact CB-CG 4.05Å
560K59.8Low81.6Confident162 Ų16262 Ų6270%0.70436%0.359SS*.THydrogen-bonded Turntrans-69.8132.9175.4-159.3-162.7174.1-120.60109.4R562K560-R562 PolarHBondContact O-N 3.38Å
561D64.8Low81.7Confident122 Ų12261 Ų6165%0.65235%0.347SS*.THydrogen-bonded Turntrans56.229.3172.4-47.4-34.7000115A559A559-D561 PolarHBondContact O-N 3.24Å
562R78.6Confident81.6Confident63 Ų6360.2 Ų60.224%0.23834%0.341CS..  trans-109.5141.1170-62.7-163.3-165.7170.68113.6E508 N528 E530 L556 A559 K560E508-R562 IonicContact OE1-CZ 3.09Å; E508-R562 VanDerWaalsContact OE1-CZ 3.29Å; E508-R562 IonicContact OE1-NH1 3.59Å; E508-R562 PolarHBondContact OE1-NH1 3.09Å; E508-R562 IonicContact OE1-NH2 3.87Å; E508-R562 PolarHBondContact OE1-NH2 3.27Å; E508-R562 IonicContact OE2-CZ 2.69Å; E508-R562 IonicContact OE2-NH1 3.86Å; E508-R562 PolarHBondContact OE2-NH1 2.87Å; E508-R562 IonicContact OE2-NH2 3.52Å; N528-R562 PolarHBondContact OD1-NH1 3.34Å; E530-R562 VanDerWaalsContact OE1-CA 3.3Å; E530-R562 WeakPolarHBondContact OE1-CA 3.29Å; L556-R562 HydrophobicContact CB-CB 4.43Å; L556-R562 HydrophobicContact CD1-CB 4.03Å; L556-R562 PolarHBondContact N-O 3.15Å; A559-R562 HydrophobicContact CB-CB 4.02Å; A559-R562 HydrophobicContact CB-CG 4.05Å; K560-R562 PolarHBondContact O-N 3.38Å
563V86.9Confident81.5Confident37 Ų3758.8 Ų58.822%0.22433%0.33CS..EExtended strand (participates in β ladder)trans-125.3126.2-174.5-176.20000110.2E530 P536 L553E530-V563 PolarHBondContact OE1-N 3.39Å; P536-V563 HydrophobicContact CB-CB 4.1Å; P536-V563 HydrophobicContact CB-CG1 4.09Å; P536-V563 HydrophobicContact CG-CB 4.07Å; L553-V563 HydrophobicContact CB-CG1 3.78Å; L553-V563 HydrophobicContact CD2-CG1 4.02Å; L553-V563 HydrophobicContact CG-CG1 4.32Å
564L89.4Confident81.5Confident13 Ų1358 Ų587%0.06832%0.324CS..EExtended strand (participates in β ladder)trans-84.4124.5170.117870.3000109.8L525 I526 K527 Q554 L556L525-L564 HydrophobicContact CB-CD1 3.92Å; L525-L564 HydrophobicContact CD2-CD2 4.13Å; I526-L564 WeakPolarHBondContact O-CD1 3.27Å; K527-L564 HydrophobicContact CD-CD1 4.47Å; K527-L564 HydrophobicContact CG-CD1 3.47Å; K527-L564 VanDerWaalsContact CG-CD1 3.47Å; Q554-L564 HydrophobicContact CB-CB 4.31Å; Q554-L564 HydrophobicContact CB-CD2 4.44Å; Q554-L564 PolarHBondContact N-O 3.17Å; Q554-L564 WeakPolarHBondContact O-CB 3.11Å; Q554-L564 PolarHBondContact O-N 3.34Å; L556-L564 HydrophobicContact CD1-CB 4.5Å; L556-L564 HydrophobicContact CD2-CB 3.89Å; L556-L564 HydrophobicContact CD2-CD2 4.35Å; L556-L564 HydrophobicContact CG-CB 3.96Å
565V92.1Very high81.7Confident0 Ų055.4 Ų55.40%031%0.312CS..EExtended strand (participates in β ladder)trans-85.8117.5166.4-179.30000108.3L525 I526 L529 P536 A540 L553 I567L525-V565 WeakPolarHBondContact CA-O 3.2Å; I526-V565 HydrophobicContact CB-CB 4.26Å; I526-V565 HydrophobicContact CD1-CB 4.38Å; I526-V565 HydrophobicContact CD1-CG1 4.29Å; I526-V565 PolarHBondContact N-O 3.23Å; I526-V565 PolarHBondContact O-N 2.92Å; L529-V565 HydrophobicContact CD1-CB 4.49Å; L529-V565 HydrophobicContact CD1-CG2 3.63Å; P536-V565 HydrophobicContact CB-CG2 3.83Å; P536-V565 WeakPolarHBondContact O-CG2 3.28Å; A540-V565 HydrophobicContact CB-CG1 3.8Å; A540-V565 HydrophobicContact CB-CG2 4.35Å; L553-V565 HydrophobicContact CD2-CG2 3.86Å; V565-I567 HydrophobicContact CG1-CD1 4.19Å; V565-I567 HydrophobicContact CG1-CG1 4.12Å
566Q91.6Very high82.1Confident24 Ų2448.7 Ų48.711%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-104132.8170.9174.4-176.1-44.400110.1R517 V523 T524 L525 A551 V552R517-Q566 VanDerWaalsContact NH1-OE1 3.09Å; V523-Q566 HydrophobicContact CB-CG 4.11Å; V523-Q566 HydrophobicContact CG2-CG 4.42Å; T524-Q566 CarbonylContact O-C 3.57Å; T524-Q566 WeakPolarHBondContact O-CA 3.38Å; L525-Q566 HydrophobicContact CD2-CB 3.76Å; L525-Q566 HydrophobicContact CD2-CG 3.68Å; A551-Q566 CarbonylContact C-O 3.53Å; A551-Q566 VanDerWaalsContact CA-O 3.29Å; A551-Q566 WeakPolarHBondContact CA-O 3.2Å; V552-Q566 PolarHBondContact N-O 3.13Å; V552-Q566 PolarHBondContact O-N 3.43Å
567I92.9Very high82.8Confident0 Ų048.3 Ų48.30%028%0.276CS..EExtended strand (participates in β ladder)trans-125.9143.2174.5-59.8157.1000109.9V523 T524 I526 L543 V547 A549 A551 V565 Q571 V575V523-I567 CarbonylContact C-O 3.55Å; V523-I567 WeakPolarHBondContact CA-O 3.37Å; T524-I567 PolarHBondContact N-O 3.37Å; T524-I567 PolarHBondContact O-N 2.88Å; I526-I567 HydrophobicContact CD1-CD1 3.94Å; L543-I567 HydrophobicContact CB-CD1 3.63Å; L543-I567 HydrophobicContact CD1-CD1 3.53Å; L543-I567 HydrophobicContact CG-CD1 4.1Å; V547-I567 HydrophobicContact CG1-CG2 4.44Å; A549-I567 HydrophobicContact CB-CG2 4.36Å; A551-I567 HydrophobicContact CB-CG1 4.06Å; V565-I567 HydrophobicContact CG1-CD1 4.19Å; V565-I567 HydrophobicContact CG1-CG1 4.12Å; I567-Q571 HydrophobicContact CG2-CG 3.94Å; I567-V575 HydrophobicContact CD1-CG2 4.5Å
568Q90.4Very high84.3Confident121 Ų12142.7 Ų42.757%0.56524%0.239SC*.EExtended strand (participates in β ladder)trans-71.7134.6177-175.4173.4-32.800112.6A549 S550 Q571A549-Q568 HydrophobicContact CB-CB 4.41Å; S550-Q568 PolarHBondContact O-N 2.87Å; S550-Q568 VanDerWaalsContact O-N 3.08Å; Q568-Q571 PolarHBondContact O-NE2 3.45Å
569G89.6Confident85.6Confident20 Ų2038.3 Ų38.321%0.20619%0.194CC..SBendtrans95.9-178.6-176.900000114.1K522 V523 T524K522-G569 VanDerWaalsContact O-CA 3.29Å; K522-G569 WeakPolarHBondContact O-CA 3.45Å; K522-G569 PolarHBondContact O-N 2.86Å; V523-G569 CarbonylContact C-O 3.59Å; V523-G569 VanDerWaalsContact C-O 3.31Å; V523-G569 WeakPolarHBondContact CA-O 3.38Å; T524-G569 PolarHBondContact N-O 2.9Å; T524-G569 PolarHBondContact OG1-O 2.9Å
570N90.6Very high86.7Confident37 Ų3738.8 Ų38.820%0.19819%0.191CC..  trans-96.6107.3164.4-179.4-3.4000108.1V514 K522 T524 V572 K595 P597V514-N570 HydrophobicContact CG1-CB 4.22Å; K522-N570 HydrophobicContact CD-CB 4.4Å; T524-N570 WeakPolarHBondContact OG1-CA 3.28Å; N570-V572 VanDerWaalsContact OD1-CG2 3.23Å; N570-V572 WeakPolarHBondContact OD1-CG2 3.46Å; N570-V572 PolarHBondContact OD1-N 3.43Å; N570-K595 PolarHBondContact ND2-O 3.29Å; N570-K595 VanDerWaalsContact ND2-O 3.08Å; N570-P597 HydrophobicContact CB-CG 4.42Å
571Q90.1Very high87.9Confident43 Ų4335.3 Ų35.320%0.20118%0.181CC..  trans-120.812.5-169.3-49.7-61.90.600112.8T524 V547 I567 Q568 H573 Q574 V575T524-Q571 PolarHBondContact OG1-N 3.17Å; V547-Q571 HydrophobicContact CG1-CB 4.41Å; V547-Q571 HydrophobicContact CG1-CG 3.73Å; V547-Q571 VanDerWaalsContact CG1-NE2 3.31Å; I567-Q571 HydrophobicContact CG2-CG 3.94Å; Q568-Q571 PolarHBondContact O-NE2 3.45Å; Q571-H573 PolarHBondContact O-N 3.49Å; Q571-Q574 PolarHBondContact O-N 2.82Å; Q571-V575 PolarHBondContact O-N 3.3Å
572V90.8Very high88.9Confident0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-49.1-37.5-174.2173.80000112.7I512 V514 T524 N570 G576 G592 L593 K595 A596I512-V572 HydrophobicContact CG2-CB 4.38Å; I512-V572 HydrophobicContact CG2-CG1 4.3Å; I512-V572 HydrophobicContact CG2-CG2 3.83Å; V514-V572 HydrophobicContact CG2-CG2 3.47Å; V514-V572 VanDerWaalsContact CG2-CG2 3.47Å; T524-V572 HydrophobicContact CG2-CG2 4.24Å; N570-V572 VanDerWaalsContact OD1-CG2 3.23Å; N570-V572 WeakPolarHBondContact OD1-CG2 3.46Å; N570-V572 PolarHBondContact OD1-N 3.43Å; V572-G576 PolarHBondContact O-N 3.5Å; V572-G592 WeakPolarHBondContact CG1-O 3.32Å; V572-L593 HydrophobicContact CG1-CD2 4.44Å; V572-K595 HydrophobicContact CG2-CB 4.41Å; V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.99Å
573H88.4Confident89.2Confident32 Ų3233.1 Ų33.115%0.14817%0.169CC..Hα-helixtrans-65.7-43.5176.2178.3-102.4000113.4Q571 V575 G576 N577 F600Q571-H573 PolarHBondContact O-N 3.49Å; H573-V575 VanDerWaalsContact C-N 3.34Å; H573-G576 PolarHBondContact O-N 3.05Å; H573-N577 PolarHBondContact CE1-ND2 3.19Å; H573-N577 VanDerWaalsContact CE1-ND2 3.28Å; H573-N577 PolarHBondContact O-N 3.07Å; H573-F600 AromaticContact CE1-CG 3.85Å; H573-F600 WeakPolarHBondContact NE2-CB 3.18Å; H573-F600 AromaticContact NE2-CG 3.73Å
574Q88.5Confident89.2Confident62 Ų6237.6 Ų37.629%0.2919%0.187SC..Hα-helixtrans-72.3-30.7178.6-62.2-63.6-3.300112.2V547 Q571 L578V547-Q574 HydrophobicContact CG2-CB 3.85Å; V547-Q574 HydrophobicContact CG2-CG 4.23Å; Q571-Q574 PolarHBondContact O-N 2.82Å; Q574-L578 WeakPolarHBondContact O-CB 3.23Å; Q574-L578 PolarHBondContact O-N 2.87Å; Q574-L578 VanDerWaalsContact O-N 3.16Å
575V90.2Very high89.2Confident2 Ų237.2 Ų37.21%0.01219%0.185CC..Hα-helixtrans-67.6-45.2169.3-178.10000110.4I512 T524 I526 L543 I567 Q571 H573 L578 L579I512-V575 HydrophobicContact CD1-CB 4.28Å; I512-V575 HydrophobicContact CD1-CG1 3.66Å; I512-V575 HydrophobicContact CG1-CG1 4.16Å; T524-V575 HydrophobicContact CG2-CG2 4.4Å; I526-V575 HydrophobicContact CD1-CB 4.37Å; I526-V575 HydrophobicContact CD1-CG1 3.64Å; I526-V575 HydrophobicContact CD1-CG2 3.7Å; I526-V575 HydrophobicContact CG1-CG1 4.13Å; I526-V575 HydrophobicContact CG1-CG2 4.38Å; L543-V575 HydrophobicContact CD1-CG2 4.17Å; L543-V575 HydrophobicContact CD2-CG2 4.13Å; I567-V575 HydrophobicContact CD1-CG2 4.5Å; Q571-V575 PolarHBondContact O-N 3.3Å; H573-V575 VanDerWaalsContact C-N 3.34Å; V575-L578 PolarHBondContact O-N 2.85Å; V575-L579 HydrophobicContact CG1-CD1 3.85Å; V575-L579 HydrophobicContact CG1-CG 4.33Å; V575-L579 WeakPolarHBondContact O-CG 3.39Å; V575-L579 PolarHBondContact O-N 3.02Å
576G89.1Confident88.9Confident0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-55.6-55.2175.600000112.1V572 H573 L578 L579 L580V572-G576 PolarHBondContact O-N 3.5Å; H573-G576 PolarHBondContact O-N 3.05Å; G576-L578 PolarHBondContact O-N 2.86Å; G576-L579 PolarHBondContact O-N 3.05Å; G576-L580 VanDerWaalsContact O-CB 3.24Å; G576-L580 WeakPolarHBondContact O-CB 3.47Å; G576-L580 VanDerWaalsContact O-CG 3.29Å; G576-L580 WeakPolarHBondContact O-CG 3.24Å; G576-L580 PolarHBondContact O-N 2.76Å
577N88.8Confident88.7Confident24 Ų2444 Ų4413%0.12822%0.217CC..Hα-helixtrans-58.6-26.1174-74.8-8.8000113.6R546 H573 D581 Y602R546-N577 PolarHBondContact NH1-O 3.15Å; H573-N577 PolarHBondContact CE1-ND2 3.19Å; H573-N577 VanDerWaalsContact CE1-ND2 3.28Å; H573-N577 PolarHBondContact O-N 3.07Å; N577-D581 WeakPolarHBondContact CA-OD2 3.42Å; N577-D581 WeakPolarHBondContact CB-OD2 3.49Å; N577-D581 WeakPolarHBondContact O-CB 3.49Å; N577-D581 PolarHBondContact O-N 2.99Å; N577-D581 VanDerWaalsContact O-N 3.16Å; N577-Y602 PolarHBondContact OD1-OH 3.37Å
578L89.3Confident88.4Confident10 Ų1051.1 Ų51.15%0.05225%0.248CC..Iπ-helixtrans-78.7-43.7176.8-168.370.2000110.9V539 A542 L543 R546 Q574 V575 G576 H582 Y583V539-L578 HydrophobicContact CG1-CD2 4.44Å; A542-L578 HydrophobicContact CB-CD2 4.26Å; L543-L578 HydrophobicContact CD1-CD2 4.2Å; L543-L578 HydrophobicContact CD2-CB 4.14Å; L543-L578 HydrophobicContact CD2-CD2 3.56Å; L543-L578 HydrophobicContact CD2-CG 4.47Å; L543-L578 HydrophobicContact CG-CD2 3.56Å; R546-L578 VanDerWaalsContact NH1-CA 3.33Å; R546-L578 VanDerWaalsContact NH1-N 3.12Å; Q574-L578 WeakPolarHBondContact O-CB 3.23Å; Q574-L578 PolarHBondContact O-N 2.87Å; Q574-L578 VanDerWaalsContact O-N 3.16Å; V575-L578 PolarHBondContact O-N 2.85Å; G576-L578 PolarHBondContact O-N 2.86Å; L578-H582 HydrophobicContact CD1-CB 3.92Å; L578-H582 WeakPolarHBondContact O-CB 3.39Å; L578-H582 PolarHBondContact O-N 2.93Å; L578-Y583 HydrophobicContact CD1-CE2 4.32Å; L578-Y583 HydrophobicContact CD2-CE2 3.83Å; L578-Y583 HydrophobicContact CG-CD2 3.98Å; L578-Y583 HydrophobicContact CG-CE2 3.69Å; L578-Y583 WeakPolarHBondContact O-CD2 3.29Å; L578-Y583 PolarHBondContact O-N 2.68Å
579L89.4Confident88.3Confident2 Ų246.7 Ų46.71%0.0123%0.226CC..Iπ-helixtrans-73-35.7-179.7-62.3173.4000112.6I510 I512 L529 L534 V575 G576 Y583 Q584 I585 I590I510-L579 HydrophobicContact CD1-CD1 4.08Å; I510-L579 HydrophobicContact CD1-CD2 3.91Å; I510-L579 HydrophobicContact CG2-CD1 3.87Å; I512-L579 HydrophobicContact CD1-CD1 4.16Å; L529-L579 HydrophobicContact CD2-CD2 4.16Å; L534-L579 HydrophobicContact CD1-CD2 3.9Å; V575-L579 HydrophobicContact CG1-CD1 3.85Å; V575-L579 HydrophobicContact CG1-CG 4.33Å; V575-L579 WeakPolarHBondContact O-CG 3.39Å; V575-L579 PolarHBondContact O-N 3.02Å; G576-L579 PolarHBondContact O-N 3.05Å; L579-Y583 HydrophobicContact CD2-CD2 4.25Å; L579-Y583 CarbonylContact O-C 3.52Å; L579-Q584 PolarHBondContact O-N 2.92Å; L579-I585 HydrophobicContact CD2-CD1 4.38Å; L579-I585 WeakPolarHBondContact O-CB 3.29Å; L579-I585 PolarHBondContact O-N 3.2Å; L579-I590 HydrophobicContact CB-CD1 3.63Å; L579-I590 HydrophobicContact CD1-CD1 4.25Å; L579-I590 HydrophobicContact CD1-CG1 4.49Å; L579-I590 HydrophobicContact CD1-CG2 4.08Å
580L88.9Confident88.4Confident40 Ų4046.3 Ų46.321%0.20922%0.22CC..Iπ-helixtrans-84-51.6-179.3-65170.5000112.5G576 Q584 R587 I590 L593 Y602G576-L580 VanDerWaalsContact O-CB 3.24Å; G576-L580 WeakPolarHBondContact O-CB 3.47Å; G576-L580 VanDerWaalsContact O-CG 3.29Å; G576-L580 WeakPolarHBondContact O-CG 3.24Å; G576-L580 PolarHBondContact O-N 2.76Å; L580-Q584 VanDerWaalsContact O-CA 3.3Å; L580-Q584 WeakPolarHBondContact O-CA 3.25Å; L580-Q584 PolarHBondContact O-N 3.12Å; L580-R587 HydrophobicContact CD2-CB 4.11Å; L580-R587 HydrophobicContact CD2-CG 4.5Å; L580-I590 HydrophobicContact CD2-CD1 3.78Å; L580-I590 HydrophobicContact CG-CD1 4.11Å; L580-L593 HydrophobicContact CD1-CD1 4.35Å; L580-Y602 HydrophobicContact CD1-CE1 4.39Å
581D86.3Confident88.4Confident90 Ų9049.9 Ų49.948%0.48124%0.235SC..Iπ-helixtrans-82.8-45.9-171.2-38.1-26.1000111.6R546 N577R546-D581 IonicContact NH2-OD2 2.75Å; N577-D581 WeakPolarHBondContact CA-OD2 3.42Å; N577-D581 WeakPolarHBondContact CB-OD2 3.49Å; N577-D581 WeakPolarHBondContact O-CB 3.49Å; N577-D581 PolarHBondContact O-N 2.99Å; N577-D581 VanDerWaalsContact O-N 3.16Å
582H85.1Confident88.2Confident124 Ų12448 Ų4857%0.57423%0.228SC*.Iπ-helixtrans-91.4-43.6-171.2-176.2-80.7000112.7L578L578-H582 HydrophobicContact CD1-CB 3.92Å; L578-H582 WeakPolarHBondContact O-CB 3.39Å; L578-H582 PolarHBondContact O-N 2.93Å
583Y85.8Confident88Confident15 Ų1549 Ų496%0.05923%0.233CC..SBendtrans-94.8-2.4177.5-61.9-58.6000114Y395 L534 V539 L578 L579 I585Y395-Y583 AromaticContact CD1-CD1 3.6Å; Y395-Y583 HydrophobicContact CD1-CD1 3.6Å; Y395-Y583 HydrophobicContact CD1-CG 4.24Å; Y395-Y583 HydrophobicContact CE1-CD1 4.26Å; Y395-Y583 VanDerWaalsContact CE1-O 3.29Å; Y395-Y583 WeakPolarHBondContact CE1-O 3.28Å; Y395-Y583 AromaticContact CG-CD1 3.79Å; Y395-Y583 HydrophobicContact CG-CD1 3.79Å; Y395-Y583 HydrophobicContact CG-CE1 4.34Å; L534-Y583 HydrophobicContact CD1-CD2 4.19Å; L534-Y583 HydrophobicContact CD1-CE2 4.5Å; L534-Y583 HydrophobicContact CD1-CG 4.41Å; L534-Y583 HydrophobicContact CD2-CD1 3.62Å; L534-Y583 HydrophobicContact CD2-CD2 4.16Å; L534-Y583 HydrophobicContact CD2-CE1 3.67Å; L534-Y583 HydrophobicContact CD2-CE2 4.2Å; L534-Y583 HydrophobicContact CD2-CG 3.87Å; V539-Y583 HydrophobicContact CG2-CE2 4Å; L578-Y583 HydrophobicContact CD1-CE2 4.32Å; L578-Y583 HydrophobicContact CD2-CE2 3.83Å; L578-Y583 HydrophobicContact CG-CD2 3.98Å; L578-Y583 HydrophobicContact CG-CE2 3.69Å; L578-Y583 WeakPolarHBondContact O-CD2 3.29Å; L578-Y583 PolarHBondContact O-N 2.68Å; L579-Y583 HydrophobicContact CD2-CD2 4.25Å; L579-Y583 CarbonylContact O-C 3.52Å; Y583-I585 WeakPolarHBondContact O-CG1 3.12Å; Y583-I585 PolarHBondContact O-N 3.11Å
584Q86.9Confident87.8Confident131 Ų13153.7 Ų53.761%0.61226%0.259SS*.  trans52.328.8173.8-56.9-173.66.600114.8P397 L579 L580 P586P397-Q584 HydrophobicContact CG-CB 4.21Å; L579-Q584 PolarHBondContact O-N 2.92Å; L580-Q584 VanDerWaalsContact O-CA 3.3Å; L580-Q584 WeakPolarHBondContact O-CA 3.25Å; L580-Q584 PolarHBondContact O-N 3.12Å; Q584-P586 WeakPolarHBondContact O-CD 3.24Å
585I87.9Confident87.4Confident4 Ų454.6 Ų54.62%0.02126%0.262CS..  trans-75.9123.6-177.2-63.6-174.8000109.4Y395 I510 Y532 L534 L579 Y583 R587 I590Y395-I585 HydrophobicContact CE1-CG1 4.48Å; I510-I585 HydrophobicContact CD1-CD1 3.83Å; I510-I585 HydrophobicContact CD1-CG2 4.48Å; Y532-I585 HydrophobicContact CD1-CG2 4.44Å; Y532-I585 HydrophobicContact CG-CD1 4.37Å; L534-I585 HydrophobicContact CD1-CD1 3.75Å; L579-I585 HydrophobicContact CD2-CD1 4.38Å; L579-I585 WeakPolarHBondContact O-CB 3.29Å; L579-I585 PolarHBondContact O-N 3.2Å; Y583-I585 WeakPolarHBondContact O-CG1 3.12Å; Y583-I585 PolarHBondContact O-N 3.11Å; I585-R587 PolarHBondContact O-N 3.47Å; I585-I590 HydrophobicContact CB-CD1 4.4Å; I585-I590 HydrophobicContact CG2-CD1 4.29Å; I585-I590 HydrophobicContact CG2-CG1 4.14Å
586P86.6Confident86.9Confident61 Ų6155.6 Ų55.640%0.39627%0.271SS..  trans-55131-179.1-29.135.7000113.2Q584 K588 Y589Q584-P586 WeakPolarHBondContact O-CD 3.24Å; P586-K588 HydrophobicContact CB-CG 3.83Å; P586-K588 PolarHBondContact O-N 2.9Å; P586-Y589 HydrophobicContact CB-CD2 4.09Å; P586-Y589 HydrophobicContact CB-CE2 4.43Å; P586-Y589 HydrophobicContact CG-CD2 4.26Å; P586-Y589 HydrophobicContact CG-CE2 4.4Å; P586-Y589 WeakPolarHBondContact O-CB 3.41Å; P586-Y589 PolarHBondContact O-N 3.45Å
587R86.9Confident86.1Confident106 Ų10658.8 Ų58.840%0.429%0.291SS..G310 helixtrans-50-29.3-176.5-166.8177.2-177.5-179.62.8114.2L580 I585 Y589 I590 L593 S603L580-R587 HydrophobicContact CD2-CB 4.11Å; L580-R587 HydrophobicContact CD2-CG 4.5Å; I585-R587 PolarHBondContact O-N 3.47Å; R587-Y589 PolarHBondContact O-N 2.75Å; R587-Y589 VanDerWaalsContact O-N 3.14Å; R587-I590 PolarHBondContact O-N 3.08Å; R587-L593 HydrophobicContact CG-CD1 4.22Å; R587-S603 PolarHBondContact NH1-O 2.65Å; R587-S603 VanDerWaalsContact NH1-O 3.15Å
588K87.2Confident84.4Confident149 Ų14968.1 Ų68.165%0.64833%0.331SS*.G310 helixtrans-56.6-21.2172.456.6162.5170.3164.50114.9P586P586-K588 HydrophobicContact CB-CG 3.83Å; P586-K588 PolarHBondContact O-N 2.9Å
589Y88.8Confident82.5Confident28 Ų2870.9 Ų70.911%0.1136%0.362CS..G310 helixtrans-102.57.2-178-65-43000113.7I400 I507 P509 I510 Y532 P586 R587I400-Y589 HydrophobicContact CB-CE2 4.27Å; I400-Y589 HydrophobicContact CD1-CD2 4.06Å; I400-Y589 HydrophobicContact CD1-CE2 3.68Å; I400-Y589 HydrophobicContact CG2-CE1 4.4Å; I400-Y589 HydrophobicContact CG2-CE2 4.48Å; I400-Y589 WeakPolarHBondContact CG2-OH 3.5Å; I507-Y589 HydrophobicContact CG2-CD1 4.25Å; I507-Y589 HydrophobicContact CG2-CE1 3.84Å; P509-Y589 CarbonylContact C-O 3.52Å; P509-Y589 VanDerWaalsContact CA-O 3.32Å; P509-Y589 WeakPolarHBondContact CA-O 3.06Å; P509-Y589 VanDerWaalsContact CB-O 3.23Å; P509-Y589 WeakPolarHBondContact CB-O 3.28Å; I510-Y589 PolarHBondContact N-O 2.91Å; Y532-Y589 HydrophobicContact CE1-CD1 4.47Å; Y532-Y589 HydrophobicContact CE1-CD2 4.04Å; Y532-Y589 AromaticContact CE1-CG 3.86Å; Y532-Y589 HydrophobicContact CE1-CG 3.86Å; Y532-Y589 WeakPolarHBondContact OH-CB 3.43Å; P586-Y589 HydrophobicContact CB-CD2 4.09Å; P586-Y589 HydrophobicContact CB-CE2 4.43Å; P586-Y589 HydrophobicContact CG-CD2 4.26Å; P586-Y589 HydrophobicContact CG-CE2 4.4Å; P586-Y589 WeakPolarHBondContact O-CB 3.41Å; P586-Y589 PolarHBondContact O-N 3.45Å; R587-Y589 PolarHBondContact O-N 2.75Å; R587-Y589 VanDerWaalsContact O-N 3.14Å
590I90.8Very high80.5Confident12 Ų1277.9 Ų77.96%0.06239%0.392CS..EExtended strand (participates in β ladder)trans-124.2121.2-178.5-48.9171.6000109.2I512 L579 L580 I585 R587 L593I512-I590 HydrophobicContact CD1-CG2 3.64Å; I512-I590 HydrophobicContact CG1-CG2 4.25Å; L579-I590 HydrophobicContact CB-CD1 3.63Å; L579-I590 HydrophobicContact CD1-CD1 4.25Å; L579-I590 HydrophobicContact CD1-CG1 4.49Å; L579-I590 HydrophobicContact CD1-CG2 4.08Å; L580-I590 HydrophobicContact CD2-CD1 3.78Å; L580-I590 HydrophobicContact CG-CD1 4.11Å; I585-I590 HydrophobicContact CB-CD1 4.4Å; I585-I590 HydrophobicContact CG2-CD1 4.29Å; I585-I590 HydrophobicContact CG2-CG1 4.14Å; R587-I590 PolarHBondContact O-N 3.08Å; I590-L593 HydrophobicContact CB-CD1 4.09Å; I590-L593 HydrophobicContact CG2-CD1 3.89Å; I590-L593 HydrophobicContact CG2-CD2 4.09Å; I590-L593 HydrophobicContact CG2-CG 3.84Å
591Q91.3Very high78Confident112 Ų11279.8 Ų79.852%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-107.7149.7177.4-72.9-172.3-7.800111.4P509 I510 I512P509-Q591 HydrophobicContact CB-CG 4.03Å; P509-Q591 VanDerWaalsContact CG-CD 3.47Å; P509-Q591 HydrophobicContact CG-CG 3.77Å; I510-Q591 PolarHBondContact O-N 3.3Å; I512-Q591 WeakPolarHBondContact CB-O 3.48Å; I512-Q591 PolarHBondContact N-O 3.3Å
592G85.9Confident75.9Confident5 Ų579 Ų795%0.05241%0.412CS..  trans91.42.3174.600000116.6I512 V572 D594 K595I512-G592 WeakPolarHBondContact O-CA 3.13Å; V572-G592 WeakPolarHBondContact CG1-O 3.32Å; G592-D594 WeakPolarHBondContact CA-OD1 3.38Å; G592-D594 PolarHBondContact N-OD1 2.91Å; G592-D594 PolarHBondContact O-N 2.6Å; G592-K595 VanDerWaalsContact O-CB 3.31Å; G592-K595 WeakPolarHBondContact O-CB 3.11Å; G592-K595 WeakPolarHBondContact O-CG 3.38Å; G592-K595 PolarHBondContact O-N 3.32Å
593L86.5Confident73.5Confident19 Ų1977 Ų7710%0.09941%0.411CS..G310 helixtrans-59-25.5173.7-66.4172.5000112.6I512 V572 L580 R587 I590 K595 A596I512-L593 HydrophobicContact CD1-CD2 3.76Å; I512-L593 HydrophobicContact CD1-CG 4.42Å; V572-L593 HydrophobicContact CG1-CD2 4.44Å; L580-L593 HydrophobicContact CD1-CD1 4.35Å; R587-L593 HydrophobicContact CG-CD1 4.22Å; I590-L593 HydrophobicContact CB-CD1 4.09Å; I590-L593 HydrophobicContact CG2-CD1 3.89Å; I590-L593 HydrophobicContact CG2-CD2 4.09Å; I590-L593 HydrophobicContact CG2-CG 3.84Å; L593-K595 PolarHBondContact O-N 3.43Å; L593-A596 WeakPolarHBondContact O-CB 3.31Å; L593-A596 PolarHBondContact O-N 3.38Å
594D83.8Confident71.2Confident131 Ų13183.9 Ų83.970%0.70145%0.449SS*.G310 helixtrans-59.5-22.6171.659.7-69.4000114G592 A596G592-D594 WeakPolarHBondContact CA-OD1 3.38Å; G592-D594 PolarHBondContact N-OD1 2.91Å; G592-D594 PolarHBondContact O-N 2.6Å; D594-A596 PolarHBondContact O-N 2.96Å
595K79.9Confident68.6Low82 Ų8287.1 Ų87.136%0.35747%0.47SS..G310 helixtrans-85.66.2-176.9-53165-161.3154.20112.6D511 I512 V514 N570 V572 G592 L593D511-K595 IonicContact OD1-NZ 2.8Å; I512-K595 PolarHBondContact O-NZ 2.95Å; V514-K595 HydrophobicContact CG2-CB 4.45Å; N570-K595 PolarHBondContact ND2-O 3.29Å; N570-K595 VanDerWaalsContact ND2-O 3.08Å; V572-K595 HydrophobicContact CG2-CB 4.41Å; G592-K595 VanDerWaalsContact O-CB 3.31Å; G592-K595 WeakPolarHBondContact O-CB 3.11Å; G592-K595 WeakPolarHBondContact O-CG 3.38Å; G592-K595 PolarHBondContact O-N 3.32Å; L593-K595 PolarHBondContact O-N 3.43Å
596A78.9Confident67.7Low23 Ų2391.3 Ų91.319%0.1949%0.493CS..SBendtrans-61.5151.1176.700000112.7V572 L593 D594 K598V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.99Å; L593-A596 WeakPolarHBondContact O-CB 3.31Å; L593-A596 PolarHBondContact O-N 3.38Å; D594-A596 PolarHBondContact O-N 2.96Å; A596-K598 PolarHBondContact O-N 2.88Å
597P73.4Confident66.7Low66 Ų6692.8 Ų92.843%0.42950%0.498SS..  trans-58.9125170.8-21.333.1000111N570 G599N570-P597 HydrophobicContact CB-CG 4.42Å; P597-G599 PolarHBondContact O-N 2.55Å
598K53.4Low65.5Low221 Ų22192.1 Ų92.196%0.96150%0.503SS*.THydrogen-bonded Turntrans-62.7104.3175.3-70.4-174.8176.4-173.80109.7A596A596-K598 PolarHBondContact O-N 2.88Å
599G49.3Very low64.3Low68 Ų6888.8 Ų88.870%0.70150%0.495SS*.THydrogen-bonded Turntrans174.2-32.1-174.900000112.5P597P597-G599 PolarHBondContact O-N 2.55Å
600F47.8Very low62.7Low149 Ų14992.6 Ų92.665%0.65452%0.519SS*.SBendtrans-118.4109.2167.1-66.6-89.4000108.7H573H573-F600 AromaticContact CE1-CG 3.85Å; H573-F600 WeakPolarHBondContact NE2-CB 3.18Å; H573-F600 AromaticContact NE2-CG 3.73Å
601G35.7Very low60.8Low79 Ų7997.9 Ų97.981%0.81455%0.549SS*.PPolyproline II helixtrans-97.5118.1177.700000110.8
602Y42.6Very low58.7Low75 Ų7596.9 Ų96.929%0.29455%0.551SS.*PPolyproline II helixtrans-70.7144.3151.7-55.4-82.7000107.9N577 L580N577-Y602 PolarHBondContact OD1-OH 3.37Å; L580-Y602 HydrophobicContact CD1-CE1 4.39Å
603S35Very low56.6Low80 Ų80104 Ų10456%0.55959%0.589SS**PPolyproline II helixtrans-62155.2169.5-149.50000111R587 D605R587-S603 PolarHBondContact NH1-O 2.65Å; R587-S603 VanDerWaalsContact NH1-O 3.15Å; S603-D605 VanDerWaalsContact CB-OD2 3.23Å; S603-D605 WeakPolarHBondContact CB-OD2 3.37Å; S603-D605 PolarHBondContact OG-OD2 2.83Å
604L37.3Very low54.1Low161 Ų161111.1 Ų111.184%0.84363%0.63SS**  trans-101.568.4171.7-79.9167.1000108.5
605D31.9Very low51.4Low198 Ų198109.3 Ų109.3100%1.05962%0.624SS**  trans-129.80169.5-55.2-83.4000107.5S603S603-D605 VanDerWaalsContact CB-OD2 3.23Å; S603-D605 WeakPolarHBondContact CB-OD2 3.37Å; S603-D605 PolarHBondContact OG-OD2 2.83Å

Retrieved 605 of 605 residues in 1101.6 ms (Link to these results)

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