A0A3Q0KGG0_SCHMA Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KGG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 962 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
1M33.5Very low49.7Very low241 Ų241132.6 Ų132.6100%1.18767%0.665SS**  0171.90-69.8166177.100107.4
2D32.6Very low53.3Low155 Ų155122.5 Ų122.583%0.82962%0.619SS**  trans-31134.1-149.5-83.2-62.1000120.9
3L29.7Very low56.6Low176 Ų176119.5 Ų119.592%0.92160%0.596SS**  trans-118.766.9173.4-84.5166.5000110.1
4S29.4Very low59.4Low80 Ų80111 Ų11156%0.55955%0.554SS**  trans-16467.3174.961.20000116.6
5L32.3Very low61.9Low145 Ų145108.4 Ų108.476%0.75954%0.536SS*.  trans-144.118.7171.4-113.5156000117.1R7L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.12Å
6E33.2Very low63.9Low187 Ų187102.8 Ų102.887%0.87451%0.508SS*.  trans-7277.5163.2-67.3-163.4131.200110.9
7R47.4Very low65.5Low201 Ų201102.9 Ų102.976%0.75850%0.501SS*.  trans-106.1-10-170.6-79-170.6175176.32117.8L5L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.12Å
8D55.3Low66.5Low73 Ų7399.9 Ų99.939%0.3949%0.49SS..SBendtrans-138.571.5176.6-103.7-64.3000110.5S98D8-S98 PolarHBondContact OD1-OG 2.72Å
9C68.2Low67Low55 Ų5598.3 Ų98.337%0.37248%0.483SS..EExtended strand (participates in β ladder)trans-141.799.6178.1-162.30000112.4K11 L31C9-K11 WeakPolarHBondContact SG-CE 3.44Å; C9-K11 PolarHBondContact SG-NZ 2.78Å; C9-L31 WeakPolarHBondContact CA-O 3.35Å
10M91.6Very high67Low49 Ų49103.6 Ų103.624%0.24150%0.499CS..EExtended strand (participates in β ladder)trans-109.3127.2171.6-168.7178.4-173.100109.9L31 A90 W91 A94M10-L31 HydrophobicContact CB-CB 4.16Å; M10-L31 HydrophobicContact CB-CD2 4.3Å; M10-L31 PolarHBondContact N-O 2.71Å; M10-L31 PolarHBondContact O-N 2.96Å; M10-A90 HydrophobicContact CE-CB 3.95Å; M10-W91 HydrophobicContact CB-CZ3 4.34Å; M10-W91 HydrophobicContact CE-CB 4.42Å; M10-W91 HydrophobicContact CE-CD2 3.7Å; M10-W91 HydrophobicContact CE-CE3 4.44Å; M10-W91 HydrophobicContact CE-CG 3.66Å; M10-W91 HydrophobicContact CE-CZ2 4.39Å; M10-W91 HydrophobicContact CG-CD2 4.32Å; M10-W91 HydrophobicContact CG-CE3 4.24Å; M10-W91 HydrophobicContact CG-CH2 4.09Å; M10-W91 HydrophobicContact CG-CZ2 4.17Å; M10-W91 HydrophobicContact CG-CZ3 4.13Å; M10-W91 HydrophobicContact SD-CB 4.49Å; M10-W91 HydrophobicContact SD-CD2 3.6Å; M10-W91 HydrophobicContact SD-CE3 3.73Å; M10-W91 HydrophobicContact SD-CG 3.95Å; M10-W91 HydrophobicContact SD-CZ2 4.47Å; M10-W91 HydrophobicContact SD-CZ3 4.23Å; M10-A94 HydrophobicContact CB-CB 4.3Å; M10-A94 HydrophobicContact SD-CB 3.48Å; M10-A94 WeakPolarHBondContact SD-CB 3.42Å
11K93.5Very high66.4Low97 Ų97105.7 Ų105.742%0.42251%0.512SS..EExtended strand (participates in β ladder)trans-133.6140.2-176-69.5170173.3146.70109.5C9 W28 F29 V30C9-K11 WeakPolarHBondContact SG-CE 3.44Å; C9-K11 PolarHBondContact SG-NZ 2.78Å; K11-W28 HydrophobicContact CB-CH2 4.47Å; K11-W28 HydrophobicContact CB-CZ2 3.83Å; K11-F29 WeakPolarHBondContact CA-O 3.36Å; K11-V30 HydrophobicContact CG-CB 4.46Å; K11-V30 HydrophobicContact CG-CG1 4.07Å; K11-V30 HydrophobicContact CG-CG2 4.24Å
12G93.6Very high68.4Low11 Ų11100.1 Ų100.111%0.11348%0.481CS..EExtended strand (participates in β ladder)trans173.5173.5-179.500000114.7W28 F29G12-W28 VanDerWaalsContact CA-CZ3 3.48Å; G12-F29 PolarHBondContact N-O 3.14Å; G12-F29 VanDerWaalsContact N-O 3.11Å; G12-F29 PolarHBondContact O-N 2.91Å
13Y95.7Very high70.9Confident83 Ų8393.3 Ų93.333%0.32545%0.448SS..EExtended strand (participates in β ladder)trans-91.7125.4175.8-80.1-70.3000111.9K26 R27 W28 P42 N83Y13-K26 HydrophobicContact CD1-CD 4.16Å; Y13-K26 HydrophobicContact CD1-CG 3.8Å; Y13-K26 HydrophobicContact CE1-CG 4.45Å; Y13-K26 HydrophobicContact CG-CD 4.42Å; Y13-K26 VanDerWaalsContact CG-CE 3.45Å; Y13-K26 HydrophobicContact CG-CG 4.33Å; Y13-R27 WeakPolarHBondContact CA-O 3.34Å; Y13-W28 HydrophobicContact CD1-CB 4.32Å; Y13-W28 AromaticContact CD1-CE3 3.97Å; Y13-W28 HydrophobicContact CD1-CE3 3.97Å; Y13-W28 AromaticContact CD2-CE3 3.64Å; Y13-W28 HydrophobicContact CD2-CE3 3.64Å; Y13-W28 AromaticContact CD2-CZ3 3.72Å; Y13-W28 HydrophobicContact CD2-CZ3 3.72Å; Y13-W28 HydrophobicContact CE1-CB 4.16Å; Y13-W28 HydrophobicContact CE1-CE3 4.1Å; Y13-W28 AromaticContact CE2-CE3 3.78Å; Y13-W28 HydrophobicContact CE2-CE3 3.78Å; Y13-W28 AromaticContact CE2-CZ3 3.93Å; Y13-W28 HydrophobicContact CE2-CZ3 3.93Å; Y13-W28 AromaticContact CG-CE3 3.75Å; Y13-W28 HydrophobicContact CG-CE3 3.75Å; Y13-W28 HydrophobicContact CG-CZ3 4.21Å; Y13-P42 WeakPolarHBondContact OH-CD 3.37Å; Y13-N83 PolarHBondContact O-ND2 2.85Å
14L95.9Very high73.9Confident1 Ų188.6 Ų88.61%0.00542%0.419CS..EExtended strand (participates in β ladder)trans-128.7165169.7-64.1167.4000109.8R27 F29 F68 I80 A82 E87 W91L14-R27 PolarHBondContact N-O 3.48Å; L14-R27 PolarHBondContact O-N 3.41Å; L14-R27 VanDerWaalsContact O-O 3.04Å; L14-F29 HydrophobicContact CB-CD2 3.66Å; L14-F29 HydrophobicContact CB-CE2 3.78Å; L14-F29 HydrophobicContact CD1-CB 4.4Å; L14-F29 HydrophobicContact CD1-CD2 4.13Å; L14-F29 HydrophobicContact CD1-CG 4.21Å; L14-F29 HydrophobicContact CG-CD2 4.3Å; L14-F68 HydrophobicContact CD1-CZ 3.95Å; L14-I80 HydrophobicContact CB-CG2 3.82Å; L14-I80 HydrophobicContact CD1-CG2 3.84Å; L14-I80 HydrophobicContact CG-CG2 4.33Å; L14-A82 HydrophobicContact CD2-CB 3.9Å; L14-E87 HydrophobicContact CD2-CG 4.34Å; L14-W91 HydrophobicContact CD1-CD2 3.72Å; L14-W91 HydrophobicContact CD1-CE3 4.25Å; L14-W91 HydrophobicContact CD1-CG 3.97Å; L14-W91 HydrophobicContact CD1-CZ2 4.02Å; L14-W91 HydrophobicContact CG-CZ2 4.41Å
15Y96.1Very high76.9Confident72 Ų7288 Ų8828%0.28241%0.407SS..EExtended strand (participates in β ladder)trans-99.3118.8176.6-72.4-102.5000109.9Q25 K26 I80 K81 N83Y15-Q25 CarbonylContact C-O 3.45Å; Y15-Q25 WeakPolarHBondContact CA-O 3.47Å; Y15-K26 HydrophobicContact CD1-CB 4.13Å; Y15-K26 HydrophobicContact CE1-CB 3.78Å; Y15-K26 HydrophobicContact CE1-CG 4.34Å; Y15-K26 HydrophobicContact CE2-CD 4.45Å; Y15-K26 HydrophobicContact CE2-CG 4.24Å; Y15-I80 CarbonylContact O-C 3.5Å; Y15-I80 WeakPolarHBondContact O-CA 3.12Å; Y15-K81 PolarHBondContact N-O 3.33Å; Y15-K81 PolarHBondContact O-N 3.2Å; Y15-N83 WeakPolarHBondContact CE2-OD1 3.47Å
16K94.2Very high79.9Confident19 Ų1985.6 Ų85.68%0.08339%0.39CS..EExtended strand (participates in β ladder)trans-102.4136.8177.5-171.1-172.7162.9-840109.9Q25 R27 F29 Y38 H79K16-Q25 PolarHBondContact N-O 2.97Å; K16-Q25 PolarHBondContact O-N 2.95Å; K16-R27 HydrophobicContact CB-CG 4.06Å; K16-F29 HydrophobicContact CB-CE2 4.21Å; K16-F29 HydrophobicContact CB-CZ 3.99Å; K16-F29 HydrophobicContact CD-CZ 4.3Å; K16-F29 HydrophobicContact CG-CZ 4.27Å; K16-Y38 HydrophobicContact CD-CD1 4.05Å; K16-Y38 HydrophobicContact CD-CD2 4.02Å; K16-Y38 HydrophobicContact CD-CE1 3.66Å; K16-Y38 HydrophobicContact CD-CE2 3.62Å; K16-Y38 HydrophobicContact CD-CG 4.22Å; K16-Y38 VanDerWaalsContact CD-CZ 3.44Å; K16-Y38 VanDerWaalsContact CE-CZ 3.41Å; K16-Y38 VanDerWaalsContact CE-OH 3.27Å; K16-Y38 WeakPolarHBondContact CE-OH 3.2Å; K16-Y38 PolarHBondContact NZ-OH 3.04Å; K16-H79 WeakPolarHBondContact CA-O 3.44Å
17W92Very high82.8Confident105 Ų10578.5 Ų78.540%0.39836%0.356SS..EExtended strand (participates in β ladder)trans-63.6139.7167.4-170.4-100000110.9Y24 H79W17-Y24 HydrophobicContact CB-CD1 4.45Å; W17-Y24 HydrophobicContact CB-CE1 4.2Å; W17-Y24 AromaticContact CE3-CD2 3.51Å; W17-Y24 HydrophobicContact CE3-CD2 3.51Å; W17-Y24 AromaticContact CE3-CE2 3.57Å; W17-Y24 HydrophobicContact CE3-CE2 3.57Å; W17-Y24 HydrophobicContact CE3-CG 4Å; W17-Y24 AromaticContact CZ3-CD2 3.83Å; W17-Y24 HydrophobicContact CZ3-CD2 3.83Å; W17-Y24 AromaticContact CZ3-CE2 3.99Å; W17-Y24 HydrophobicContact CZ3-CE2 3.99Å; W17-H79 HydrophobicContact CB-CB 3.92Å; W17-H79 PolarHBondContact N-O 3.18Å
18T83.6Confident85Confident48 Ų4871.2 Ų71.229%0.29433%0.328SS..  trans-117.6-69.1-177.547.60000111.8K22 G23 Q25T18-K22 WeakPolarHBondContact OG1-CB 3.33Å; T18-G23 PolarHBondContact N-O 2.81Å; T18-G23 PolarHBondContact OG1-O 2.88Å; T18-Q25 HydrophobicContact CG2-CB 3.78Å; T18-Q25 HydrophobicContact CG2-CG 3.86Å; T18-Q25 WeakPolarHBondContact OG1-CG 3.34Å
19N75.6Confident86.9Confident69 Ų6967.7 Ų67.737%0.36931%0.31SS..  trans-154.8177.3173.162.410.9000109.8L21 K22 G23N19-L21 VanDerWaalsContact C-N 3.28Å; N19-L21 PolarHBondContact O-N 2.87Å; N19-L21 PolarHBondContact OD1-N 3.46Å; N19-K22 PolarHBondContact O-N 3.08Å; N19-K22 WeakPolarHBondContact OD1-CB 3.48Å; N19-K22 PolarHBondContact OD1-N 2.57Å; N19-G23 WeakPolarHBondContact O-CA 3.4Å; N19-G23 PolarHBondContact O-N 3.19Å
20Y66.8Low88.2Confident205 Ų20565.4 Ų65.480%0.80429%0.294SS*.THydrogen-bonded Turntrans-56.3-39.2-180-168.7-94.9000113.2
21L53.4Low88.2Confident147 Ų14763.1 Ų63.177%0.7728%0.283SS*.THydrogen-bonded Turntrans-70.9-42.3-178.1-70.5164000114.1N19N19-L21 VanDerWaalsContact C-N 3.28Å; N19-L21 PolarHBondContact O-N 2.87Å; N19-L21 PolarHBondContact OD1-N 3.46Å
22K75.7Confident87.9Confident124 Ų12462.5 Ų62.554%0.53928%0.281SS..THydrogen-bonded Turntrans-102-13.7-174.1-64.4178.7-178.5173.90113.2T18 N19 Q25T18-K22 WeakPolarHBondContact OG1-CB 3.33Å; N19-K22 PolarHBondContact O-N 3.08Å; N19-K22 WeakPolarHBondContact OD1-CB 3.48Å; N19-K22 PolarHBondContact OD1-N 2.57Å; K22-Q25 HydrophobicContact CB-CG 4.05Å; K22-Q25 WeakPolarHBondContact O-CG 3.3Å; K22-Q25 PolarHBondContact O-NE2 3.04Å
23G85.8Confident87.3Confident13 Ų1368.3 Ų68.313%0.13431%0.309CS..  trans55.9-134.5175.900000114.4T18 N19T18-G23 PolarHBondContact N-O 2.81Å; T18-G23 PolarHBondContact OG1-O 2.88Å; N19-G23 WeakPolarHBondContact O-CA 3.4Å; N19-G23 PolarHBondContact O-N 3.19Å
24Y91.7Very high86.9Confident77 Ų7765 Ų6530%0.30230%0.3SS..EExtended strand (participates in β ladder)trans-79.9112.9175.3-84.6-75.4000111.5W17 Y67 K81W17-Y24 HydrophobicContact CB-CD1 4.45Å; W17-Y24 HydrophobicContact CB-CE1 4.2Å; W17-Y24 AromaticContact CE3-CD2 3.51Å; W17-Y24 HydrophobicContact CE3-CD2 3.51Å; W17-Y24 AromaticContact CE3-CE2 3.57Å; W17-Y24 HydrophobicContact CE3-CE2 3.57Å; W17-Y24 HydrophobicContact CE3-CG 4Å; W17-Y24 AromaticContact CZ3-CD2 3.83Å; W17-Y24 HydrophobicContact CZ3-CD2 3.83Å; W17-Y24 AromaticContact CZ3-CE2 3.99Å; W17-Y24 HydrophobicContact CZ3-CE2 3.99Å; Y24-Y67 AromaticContact CE2-CE1 3.94Å; Y24-Y67 HydrophobicContact CE2-CE1 3.94Å; Y24-Y67 AromaticContact CZ-CE1 3.86Å; Y24-K81 HydrophobicContact CD1-CB 4.01Å; Y24-K81 HydrophobicContact CE1-CB 3.91Å
25Q92.4Very high86.6Confident67 Ų6768.1 Ų68.131%0.31332%0.317SS..EExtended strand (participates in β ladder)trans-111.6136.7-176.9-72.7-70.1-44.700111.4Y15 K16 T18 K22 R27Y15-Q25 CarbonylContact C-O 3.45Å; Y15-Q25 WeakPolarHBondContact CA-O 3.47Å; K16-Q25 PolarHBondContact N-O 2.97Å; K16-Q25 PolarHBondContact O-N 2.95Å; T18-Q25 HydrophobicContact CG2-CB 3.78Å; T18-Q25 HydrophobicContact CG2-CG 3.86Å; T18-Q25 WeakPolarHBondContact OG1-CG 3.34Å; K22-Q25 HydrophobicContact CB-CG 4.05Å; K22-Q25 WeakPolarHBondContact O-CG 3.3Å; K22-Q25 PolarHBondContact O-NE2 3.04Å; Q25-R27 PolarHBondContact O-N 2.87Å
26K95.2Very high86.4Confident94 Ų9464.8 Ų64.841%0.40930%0.304SS..EExtended strand (participates in β ladder)trans-66.2131.1177.6-164.3173.9-175.8172.50110Y13 Y15Y13-K26 HydrophobicContact CD1-CD 4.16Å; Y13-K26 HydrophobicContact CD1-CG 3.8Å; Y13-K26 HydrophobicContact CE1-CG 4.45Å; Y13-K26 HydrophobicContact CG-CD 4.42Å; Y13-K26 VanDerWaalsContact CG-CE 3.45Å; Y13-K26 HydrophobicContact CG-CG 4.33Å; Y15-K26 HydrophobicContact CD1-CB 4.13Å; Y15-K26 HydrophobicContact CE1-CB 3.78Å; Y15-K26 HydrophobicContact CE1-CG 4.34Å; Y15-K26 HydrophobicContact CE2-CD 4.45Å; Y15-K26 HydrophobicContact CE2-CG 4.24Å
27R94.7Very high86.3Confident39 Ų3964.6 Ų64.615%0.14731%0.305CS..EExtended strand (participates in β ladder)trans-139.9148-179.5-64.6-62176.8-105.84.6109.7Y13 L14 K16 Q25 F29 Y38 Y39Y13-R27 WeakPolarHBondContact CA-O 3.34Å; L14-R27 PolarHBondContact N-O 3.48Å; L14-R27 PolarHBondContact O-N 3.41Å; L14-R27 VanDerWaalsContact O-O 3.04Å; K16-R27 HydrophobicContact CB-CG 4.06Å; Q25-R27 PolarHBondContact O-N 2.87Å; R27-F29 HydrophobicContact CB-CD2 4.22Å; R27-F29 HydrophobicContact CB-CE2 3.86Å; R27-Y38 HydrophobicContact CB-CD2 3.92Å; R27-Y38 HydrophobicContact CG-CD2 3.77Å; R27-Y38 HydrophobicContact CG-CE2 4.07Å; R27-Y39 WeakPolarHBondContact CA-O 3.49Å; R27-Y39 WeakPolarHBondContact CB-O 3.13Å; R27-Y39 WeakPolarHBondContact CD-O 3.37Å
28W94.7Very high86.3Confident47 Ų4759.8 Ų59.818%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-86.9121.8172.4-176.6-108.4000108.8K11 G12 Y13 Y38 Y39 P42 M45K11-W28 HydrophobicContact CB-CH2 4.47Å; K11-W28 HydrophobicContact CB-CZ2 3.83Å; G12-W28 VanDerWaalsContact CA-CZ3 3.48Å; Y13-W28 HydrophobicContact CD1-CB 4.32Å; Y13-W28 AromaticContact CD1-CE3 3.97Å; Y13-W28 HydrophobicContact CD1-CE3 3.97Å; Y13-W28 AromaticContact CD2-CE3 3.64Å; Y13-W28 HydrophobicContact CD2-CE3 3.64Å; Y13-W28 AromaticContact CD2-CZ3 3.72Å; Y13-W28 HydrophobicContact CD2-CZ3 3.72Å; Y13-W28 HydrophobicContact CE1-CB 4.16Å; Y13-W28 HydrophobicContact CE1-CE3 4.1Å; Y13-W28 AromaticContact CE2-CE3 3.78Å; Y13-W28 HydrophobicContact CE2-CE3 3.78Å; Y13-W28 AromaticContact CE2-CZ3 3.93Å; Y13-W28 HydrophobicContact CE2-CZ3 3.93Å; Y13-W28 AromaticContact CG-CE3 3.75Å; Y13-W28 HydrophobicContact CG-CE3 3.75Å; Y13-W28 HydrophobicContact CG-CZ3 4.21Å; W28-Y38 CarbonylContact O-C 3.6Å; W28-Y38 VanDerWaalsContact O-CA 3.24Å; W28-Y38 WeakPolarHBondContact O-CA 3.38Å; W28-Y39 PolarHBondContact N-O 3.03Å; W28-Y39 PolarHBondContact O-N 3.11Å; W28-P42 HydrophobicContact CB-CG 4.44Å; W28-P42 HydrophobicContact CD2-CB 4.4Å; W28-P42 HydrophobicContact CD2-CG 3.72Å; W28-P42 HydrophobicContact CE3-CG 3.97Å; W28-P42 HydrophobicContact CG-CB 4.41Å; W28-P42 HydrophobicContact CG-CG 3.94Å; W28-P42 HydrophobicContact CZ2-CG 4.46Å; W28-P42 HydrophobicContact CZ3-CG 4.44Å; W28-M45 VanDerWaalsContact CD1-SD 3.54Å; W28-M45 PolarHBondContact NE1-SD 2.8Å
29F95.3Very high86.8Confident0 Ų058.9 Ų58.90%028%0.278CS..EExtended strand (participates in β ladder)trans-105.4144.3179.4-80.4-98.6000110.9K11 G12 L14 K16 R27 L36 S37 Y38 F78 I80 W91K11-F29 WeakPolarHBondContact CA-O 3.36Å; G12-F29 PolarHBondContact N-O 3.14Å; G12-F29 VanDerWaalsContact N-O 3.11Å; G12-F29 PolarHBondContact O-N 2.91Å; L14-F29 HydrophobicContact CB-CD2 3.66Å; L14-F29 HydrophobicContact CB-CE2 3.78Å; L14-F29 HydrophobicContact CD1-CB 4.4Å; L14-F29 HydrophobicContact CD1-CD2 4.13Å; L14-F29 HydrophobicContact CD1-CG 4.21Å; L14-F29 HydrophobicContact CG-CD2 4.3Å; K16-F29 HydrophobicContact CB-CE2 4.21Å; K16-F29 HydrophobicContact CB-CZ 3.99Å; K16-F29 HydrophobicContact CD-CZ 4.3Å; K16-F29 HydrophobicContact CG-CZ 4.27Å; R27-F29 HydrophobicContact CB-CD2 4.22Å; R27-F29 HydrophobicContact CB-CE2 3.86Å; F29-L36 HydrophobicContact CB-CD1 4.44Å; F29-L36 HydrophobicContact CD1-CD1 3.95Å; F29-L36 HydrophobicContact CD1-CD2 4.05Å; F29-L36 HydrophobicContact CD1-CG 4Å; F29-L36 HydrophobicContact CE1-CD2 4.21Å; F29-S37 WeakPolarHBondContact CA-O 3.49Å; F29-Y38 HydrophobicContact CE1-CG 4.37Å; F29-Y38 HydrophobicContact CZ-CG 4.41Å; F29-F78 HydrophobicContact CE1-CD2 4.46Å; F29-I80 HydrophobicContact CE1-CD1 3.82Å; F29-I80 HydrophobicContact CZ-CD1 3.96Å; F29-I80 HydrophobicContact CZ-CG1 4.21Å; F29-I80 HydrophobicContact CZ-CG2 4.49Å; F29-W91 HydrophobicContact CB-CH2 3.7Å; F29-W91 HydrophobicContact CB-CZ2 4.23Å; F29-W91 HydrophobicContact CB-CZ3 4.25Å
30V93.6Very high87.3Confident7 Ų760.6 Ų60.64%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-133.9112.7179-178.30000108.4K11 Q32 S37 Y39 M45K11-V30 HydrophobicContact CG-CB 4.46Å; K11-V30 HydrophobicContact CG-CG1 4.07Å; K11-V30 HydrophobicContact CG-CG2 4.24Å; V30-Q32 HydrophobicContact CG1-CB 4.24Å; V30-S37 PolarHBondContact N-O 2.86Å; V30-S37 PolarHBondContact O-N 3.34Å; V30-Y39 HydrophobicContact CB-CE2 4.12Å; V30-Y39 HydrophobicContact CG2-CD2 4.04Å; V30-Y39 HydrophobicContact CG2-CE2 3.65Å; V30-M45 HydrophobicContact CG2-CE 3.76Å; V30-M45 HydrophobicContact CG2-SD 3.79Å
31L93Very high88.3Confident1 Ų153.3 Ų53.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-96.8115.1168.4172.555.5000108.4C9 M10 L35 L36 L55 W91 A94 L95C9-L31 WeakPolarHBondContact CA-O 3.35Å; M10-L31 HydrophobicContact CB-CB 4.16Å; M10-L31 HydrophobicContact CB-CD2 4.3Å; M10-L31 PolarHBondContact N-O 2.71Å; M10-L31 PolarHBondContact O-N 2.96Å; L31-L35 WeakPolarHBondContact CA-O 3.28Å; L31-L35 WeakPolarHBondContact CD1-O 3.31Å; L31-L36 HydrophobicContact CB-CD1 4Å; L31-L55 HydrophobicContact CD1-CD1 3.48Å; L31-L55 VanDerWaalsContact CD1-CD1 3.48Å; L31-W91 HydrophobicContact CB-CZ3 4Å; L31-A94 HydrophobicContact CD2-CB 3.73Å; L31-L95 HydrophobicContact CD1-CD2 4.25Å; L31-L95 HydrophobicContact CD2-CD2 4.03Å; L31-L95 HydrophobicContact CD2-CG 4.27Å
32Q86.8Confident89.9Confident83 Ų8348.8 Ų48.839%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-156.5141-179.5-173.8167.8-5.600110.2V30 G34 L35V30-Q32 HydrophobicContact CG1-CB 4.24Å; Q32-G34 VanDerWaalsContact C-N 3.29Å; Q32-G34 PolarHBondContact O-N 2.83Å; Q32-G34 VanDerWaalsContact O-N 3.17Å; Q32-L35 PolarHBondContact N-O 3.28Å; Q32-L35 WeakPolarHBondContact O-CB 3.46Å; Q32-L35 PolarHBondContact O-N 3.06Å
33N82.1Confident90.2Very high133 Ų13346.3 Ų46.371%0.71124%0.237SC*.THydrogen-bonded Turntrans50.840.2173.8-58.88.6000114.5L35N33-L35 PolarHBondContact O-N 2.74Å
34G85.9Confident89.9Confident13 Ų1347.1 Ų47.113%0.13424%0.237CC..THydrogen-bonded Turntrans73.19.3-178.800000115.3Q32 L55Q32-G34 VanDerWaalsContact C-N 3.29Å; Q32-G34 PolarHBondContact O-N 2.83Å; Q32-G34 VanDerWaalsContact O-N 3.17Å; G34-L55 WeakPolarHBondContact O-CB 3.41Å; G34-L55 PolarHBondContact O-N 3.16Å
35L89.4Confident89.3Confident68 Ų6846.9 Ų46.936%0.35624%0.239SC..EExtended strand (participates in β ladder)trans-111.5138.9175.7-56.2178.7000110.2L31 Q32 N33 T52 K54L31-L35 WeakPolarHBondContact CA-O 3.28Å; L31-L35 WeakPolarHBondContact CD1-O 3.31Å; Q32-L35 PolarHBondContact N-O 3.28Å; Q32-L35 WeakPolarHBondContact O-CB 3.46Å; Q32-L35 PolarHBondContact O-N 3.06Å; N33-L35 PolarHBondContact O-N 2.74Å; L35-T52 HydrophobicContact CB-CG2 3.89Å; L35-T52 HydrophobicContact CD1-CG2 4.38Å; L35-T52 HydrophobicContact CD2-CG2 4.17Å; L35-T52 HydrophobicContact CG-CG2 4.38Å; L35-K54 HydrophobicContact CD2-CB 4.35Å; L35-K54 HydrophobicContact CD2-CG 3.73Å
36L93.1Very high87.8Confident2 Ų247.7 Ų47.71%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-108.3110.2162.6-178.471.6000109.2F29 L31 T52 I53 L55 I70 I80 W91 L95F29-L36 HydrophobicContact CB-CD1 4.44Å; F29-L36 HydrophobicContact CD1-CD1 3.95Å; F29-L36 HydrophobicContact CD1-CD2 4.05Å; F29-L36 HydrophobicContact CD1-CG 4Å; F29-L36 HydrophobicContact CE1-CD2 4.21Å; L31-L36 HydrophobicContact CB-CD1 4Å; L36-T52 CarbonylContact O-C 3.12Å; L36-T52 VanDerWaalsContact O-CA 3.28Å; L36-T52 WeakPolarHBondContact O-CA 3.37Å; L36-I53 PolarHBondContact N-O 3.11Å; L36-I53 PolarHBondContact O-N 2.89Å; L36-L55 HydrophobicContact CB-CD2 4.34Å; L36-I70 HydrophobicContact CD2-CD1 3.31Å; L36-I80 HydrophobicContact CD2-CD1 4.42Å; L36-W91 HydrophobicContact CD1-CZ3 3.91Å; L36-L95 HydrophobicContact CB-CD2 4.31Å; L36-L95 HydrophobicContact CD1-CD2 4.17Å; L36-L95 HydrophobicContact CD2-CD2 3.97Å; L36-L95 HydrophobicContact CG-CD2 4.38Å
37S91.1Very high86.1Confident14 Ų1450 Ų5010%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-106156.1176.6-65.50000111.6F29 V30 G51 T52F29-S37 WeakPolarHBondContact CA-O 3.49Å; V30-S37 PolarHBondContact N-O 2.86Å; V30-S37 PolarHBondContact O-N 3.34Å; S37-G51 CarbonylContact C-O 3.56Å; S37-G51 WeakPolarHBondContact CA-O 3.4Å; S37-T52 WeakPolarHBondContact OG-CG2 3.02Å; S37-T52 PolarHBondContact OG-OG1 2.79Å
38Y93.4Very high85Confident5 Ų549.7 Ų49.72%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-137.3157.6170.883.4-85.3000113.9K16 R27 W28 F29 R50 G51 F78 D446K16-Y38 HydrophobicContact CD-CD1 4.05Å; K16-Y38 HydrophobicContact CD-CD2 4.02Å; K16-Y38 HydrophobicContact CD-CE1 3.66Å; K16-Y38 HydrophobicContact CD-CE2 3.62Å; K16-Y38 HydrophobicContact CD-CG 4.22Å; K16-Y38 VanDerWaalsContact CD-CZ 3.44Å; K16-Y38 VanDerWaalsContact CE-CZ 3.41Å; K16-Y38 VanDerWaalsContact CE-OH 3.27Å; K16-Y38 WeakPolarHBondContact CE-OH 3.2Å; K16-Y38 PolarHBondContact NZ-OH 3.04Å; R27-Y38 HydrophobicContact CB-CD2 3.92Å; R27-Y38 HydrophobicContact CG-CD2 3.77Å; R27-Y38 HydrophobicContact CG-CE2 4.07Å; W28-Y38 CarbonylContact O-C 3.6Å; W28-Y38 VanDerWaalsContact O-CA 3.24Å; W28-Y38 WeakPolarHBondContact O-CA 3.38Å; F29-Y38 HydrophobicContact CE1-CG 4.37Å; F29-Y38 HydrophobicContact CZ-CG 4.41Å; Y38-R50 HydrophobicContact CD2-CB 3.73Å; Y38-R50 HydrophobicContact CE1-CB 4.36Å; Y38-R50 WeakPolarHBondContact CE1-O 3.37Å; Y38-R50 HydrophobicContact CE2-CB 3.4Å; Y38-R50 HydrophobicContact CE2-CG 4.48Å; Y38-R50 HydrophobicContact CG-CB 4.36Å; Y38-R50 WeakPolarHBondContact O-CA 3.41Å; Y38-R50 WeakPolarHBondContact O-CB 3.44Å; Y38-R50 PolarHBondContact O-N 3.36Å; Y38-R50 PolarHBondContact OH-O 3.37Å; Y38-R50 VanDerWaalsContact OH-O 3.09Å; Y38-G51 VanDerWaalsContact CD1-O 3.3Å; Y38-G51 WeakPolarHBondContact CD1-O 3.35Å; Y38-G51 PolarHBondContact N-O 3.38Å; Y38-F78 AromaticContact CD1-CE2 3.91Å; Y38-F78 HydrophobicContact CD1-CE2 3.91Å; Y38-F78 AromaticContact CD1-CZ 3.89Å; Y38-F78 HydrophobicContact CD1-CZ 3.89Å; Y38-F78 HydrophobicContact CE1-CE1 4.01Å; Y38-F78 HydrophobicContact CE1-CE2 4.15Å; Y38-F78 AromaticContact CE1-CZ 3.67Å; Y38-F78 HydrophobicContact CE1-CZ 3.67Å; Y38-D446 PolarHBondContact OH-OD2 2.79Å
39Y92.4Very high84.4Confident29 Ų2950.4 Ų50.411%0.11428%0.283CS..EExtended strand (participates in β ladder)trans-140159.6-172.6-52.9-95.7000108.6R27 W28 V30 N41 M45 T48 C49R27-Y39 WeakPolarHBondContact CA-O 3.49Å; R27-Y39 WeakPolarHBondContact CB-O 3.13Å; R27-Y39 WeakPolarHBondContact CD-O 3.37Å; W28-Y39 PolarHBondContact N-O 3.03Å; W28-Y39 PolarHBondContact O-N 3.11Å; V30-Y39 HydrophobicContact CB-CE2 4.12Å; V30-Y39 HydrophobicContact CG2-CD2 4.04Å; V30-Y39 HydrophobicContact CG2-CE2 3.65Å; Y39-N41 VanDerWaalsContact C-N 3.33Å; Y39-N41 WeakPolarHBondContact CB-O 3.43Å; Y39-M45 HydrophobicContact CD1-CB 4.31Å; Y39-M45 HydrophobicContact CD1-CG 3.9Å; Y39-M45 HydrophobicContact CD2-CG 3.83Å; Y39-M45 HydrophobicContact CE1-CB 4.23Å; Y39-M45 HydrophobicContact CE1-CG 4.02Å; Y39-M45 HydrophobicContact CE2-CG 3.96Å; Y39-M45 HydrophobicContact CG-CG 3.83Å; Y39-T48 WeakPolarHBondContact CD1-O 3.36Å; Y39-C49 HydrophobicContact CE1-CB 3.94Å
40R87.1Confident83.9Confident105 Ų10552.5 Ų52.540%0.39629%0.291SS..SBendtrans-67.6-39.6172.9-55171.3166178.6-2.3110.1E44 R50 E444R40-E44 WeakPolarHBondContact CA-OE2 3.33Å; R40-E44 WeakPolarHBondContact CB-OE1 3.45Å; R40-E44 WeakPolarHBondContact CB-OE2 3.23Å; R40-E44 VanDerWaalsContact CD-OE1 3.27Å; R40-E44 WeakPolarHBondContact CD-OE1 3.5Å; R40-E44 VanDerWaalsContact CG-OE2 3.24Å; R40-E44 WeakPolarHBondContact CG-OE2 3.48Å; R40-E44 PolarHBondContact N-OE2 3.06Å; R40-R50 HydrophobicContact CG-CG 4.29Å; R40-R50 VanDerWaalsContact CZ-NH2 3.27Å; R40-E444 IonicContact CZ-OE2 3.8Å; R40-E444 IonicContact NH2-OE2 3.62Å; R40-E444 PolarHBondContact NH2-OE2 2.87Å
41N88.2Confident83.5Confident52 Ų5253.1 Ų53.128%0.27830%0.299SS..SBendtrans-147.1171.8179.265.568.7000111.4Y39 A43 E44Y39-N41 VanDerWaalsContact C-N 3.33Å; Y39-N41 WeakPolarHBondContact CB-O 3.43Å; N41-A43 PolarHBondContact O-N 3.18Å; N41-A43 WeakPolarHBondContact OD1-CA 3.17Å; N41-A43 WeakPolarHBondContact OD1-CB 3.44Å; N41-A43 PolarHBondContact OD1-N 2.79Å; N41-E44 PolarHBondContact ND2-OE1 2.83Å; N41-E44 PolarHBondContact OD1-N 3Å
42P86.8Confident83.4Confident52 Ų5255.1 Ų55.134%0.33831%0.312SS..SBendtrans-66.4-29179.3-22.532.5000115.6Y13 W28 M45Y13-P42 WeakPolarHBondContact OH-CD 3.37Å; W28-P42 HydrophobicContact CB-CG 4.44Å; W28-P42 HydrophobicContact CD2-CB 4.4Å; W28-P42 HydrophobicContact CD2-CG 3.72Å; W28-P42 HydrophobicContact CE3-CG 3.97Å; W28-P42 HydrophobicContact CG-CB 4.41Å; W28-P42 HydrophobicContact CG-CG 3.94Å; W28-P42 HydrophobicContact CZ2-CG 4.46Å; W28-P42 HydrophobicContact CZ3-CG 4.44Å; P42-M45 VanDerWaalsContact O-CB 3.23Å; P42-M45 WeakPolarHBondContact O-CB 3.43Å; P42-M45 VanDerWaalsContact O-CG 3.3Å; P42-M45 WeakPolarHBondContact O-CG 3.47Å; P42-M45 PolarHBondContact O-N 3.35Å
43A81.5Confident83.4Confident72 Ų7251.2 Ų51.260%0.59529%0.293SS*.G310 helixtrans-70.3-34.1-179.800000111.6N41 M45 A46 H47N41-A43 PolarHBondContact O-N 3.18Å; N41-A43 WeakPolarHBondContact OD1-CA 3.17Å; N41-A43 WeakPolarHBondContact OD1-CB 3.44Å; N41-A43 PolarHBondContact OD1-N 2.79Å; A43-M45 PolarHBondContact O-N 2.67Å; A43-A46 PolarHBondContact O-N 3.33Å; A43-H47 PolarHBondContact O-CD2 3.5Å
44E80.1Confident83.6Confident30 Ų3051.1 Ų51.114%0.1429%0.286CS..G310 helixtrans-59.8-14.1171.3-79.4173.5-155.400114R40 N41 A46 H47 T48R40-E44 WeakPolarHBondContact CA-OE2 3.33Å; R40-E44 WeakPolarHBondContact CB-OE1 3.45Å; R40-E44 WeakPolarHBondContact CB-OE2 3.23Å; R40-E44 VanDerWaalsContact CD-OE1 3.27Å; R40-E44 WeakPolarHBondContact CD-OE1 3.5Å; R40-E44 VanDerWaalsContact CG-OE2 3.24Å; R40-E44 WeakPolarHBondContact CG-OE2 3.48Å; R40-E44 PolarHBondContact N-OE2 3.06Å; N41-E44 PolarHBondContact ND2-OE1 2.83Å; N41-E44 PolarHBondContact OD1-N 3Å; E44-A46 PolarHBondContact O-N 2.9Å; E44-H47 PolarHBondContact O-N 2.63Å; E44-T48 PolarHBondContact O-N 2.68Å
45M78Confident83.8Confident72 Ų7250.5 Ų50.536%0.35528%0.28SS..G310 helixtrans-58.5-28.2176.3-71.7-174.95700113.8W28 V30 Y39 P42 A43 H47W28-M45 VanDerWaalsContact CD1-SD 3.54Å; W28-M45 PolarHBondContact NE1-SD 2.8Å; V30-M45 HydrophobicContact CG2-CE 3.76Å; V30-M45 HydrophobicContact CG2-SD 3.79Å; Y39-M45 HydrophobicContact CD1-CB 4.31Å; Y39-M45 HydrophobicContact CD1-CG 3.9Å; Y39-M45 HydrophobicContact CD2-CG 3.83Å; Y39-M45 HydrophobicContact CE1-CB 4.23Å; Y39-M45 HydrophobicContact CE1-CG 4.02Å; Y39-M45 HydrophobicContact CE2-CG 3.96Å; Y39-M45 HydrophobicContact CG-CG 3.83Å; P42-M45 VanDerWaalsContact O-CB 3.23Å; P42-M45 WeakPolarHBondContact O-CB 3.43Å; P42-M45 VanDerWaalsContact O-CG 3.3Å; P42-M45 WeakPolarHBondContact O-CG 3.47Å; P42-M45 PolarHBondContact O-N 3.35Å; A43-M45 PolarHBondContact O-N 2.67Å; M45-H47 VanDerWaalsContact C-N 3.34Å
46A61.9Low83.5Confident83 Ų8348.4 Ų48.469%0.68627%0.272SS*.G310 helixtrans-83-8.7175.900000113.6A43 E44A43-A46 PolarHBondContact O-N 3.33Å; E44-A46 PolarHBondContact O-N 2.9Å
47H58.1Low83.1Confident144 Ų14451.5 Ų51.567%0.66729%0.289SS*.THydrogen-bonded Turntrans-128.5-53.7-164.5-57.2-59.2000114.1A43 E44 M45A43-H47 PolarHBondContact O-CD2 3.5Å; E44-H47 PolarHBondContact O-N 2.63Å; M45-H47 VanDerWaalsContact C-N 3.34Å
48T72.1Confident82.9Confident32 Ų3250.8 Ų50.820%0.19628%0.284CS..  trans-143.3122.5-177.357.70000113Y39 E44 Y443Y39-T48 WeakPolarHBondContact CD1-O 3.36Å; E44-T48 PolarHBondContact O-N 2.68Å; T48-Y443 HydrophobicContact CG2-CE1 3.68Å; T48-Y443 VanDerWaalsContact CG2-OH 3.3Å; T48-Y443 WeakPolarHBondContact CG2-OH 3.46Å
49C83.4Confident82.7Confident62 Ų6253.7 Ų53.742%0.41930%0.303SS..  trans-82131.7165.4-173.30000109.6Y39 T52Y39-C49 HydrophobicContact CE1-CB 3.94Å; C49-T52 PolarHBondContact SG-OG1 2.88Å; C49-T52 VanDerWaalsContact SG-OG1 3.34Å
50R84.7Confident82.6Confident43 Ų4354.6 Ų54.616%0.16231%0.311CS..  trans-89.9-2.4179.4-65.7-65.2-176.3150.3-14.3114Y38 R40 E444Y38-R50 HydrophobicContact CD2-CB 3.73Å; Y38-R50 HydrophobicContact CE1-CB 4.36Å; Y38-R50 WeakPolarHBondContact CE1-O 3.37Å; Y38-R50 HydrophobicContact CE2-CB 3.4Å; Y38-R50 HydrophobicContact CE2-CG 4.48Å; Y38-R50 HydrophobicContact CG-CB 4.36Å; Y38-R50 WeakPolarHBondContact O-CA 3.41Å; Y38-R50 WeakPolarHBondContact O-CB 3.44Å; Y38-R50 PolarHBondContact O-N 3.36Å; Y38-R50 PolarHBondContact OH-O 3.37Å; Y38-R50 VanDerWaalsContact OH-O 3.09Å; R40-R50 HydrophobicContact CG-CG 4.29Å; R40-R50 VanDerWaalsContact CZ-NH2 3.27Å; R50-E444 IonicContact CZ-OE2 3.86Å; R50-E444 IonicContact NH1-OE2 2.69Å; R50-E444 PolarHBondContact NH1-OE2 2.82Å; R50-E444 IonicContact NH2-OE2 2.7Å; R50-E444 PolarHBondContact NH2-OE2 2.79Å
51G84.4Confident82.8Confident21 Ų2154.4 Ų54.422%0.21631%0.313CS..EExtended strand (participates in β ladder)trans150.8150.1170.600000112.5S37 Y38S37-G51 CarbonylContact C-O 3.56Å; S37-G51 WeakPolarHBondContact CA-O 3.4Å; Y38-G51 VanDerWaalsContact CD1-O 3.3Å; Y38-G51 WeakPolarHBondContact CD1-O 3.35Å; Y38-G51 PolarHBondContact N-O 3.38Å
52T90Very high83Confident43 Ų4356.4 Ų56.426%0.26432%0.319SS..EExtended strand (participates in β ladder)trans-137.4136.6-176.5-56.70000110.7L35 L36 S37 C49 Q76L35-T52 HydrophobicContact CB-CG2 3.89Å; L35-T52 HydrophobicContact CD1-CG2 4.38Å; L35-T52 HydrophobicContact CD2-CG2 4.17Å; L35-T52 HydrophobicContact CG-CG2 4.38Å; L36-T52 CarbonylContact O-C 3.12Å; L36-T52 VanDerWaalsContact O-CA 3.28Å; L36-T52 WeakPolarHBondContact O-CA 3.37Å; S37-T52 WeakPolarHBondContact OG-CG2 3.02Å; S37-T52 PolarHBondContact OG-OG1 2.79Å; C49-T52 PolarHBondContact SG-OG1 2.88Å; C49-T52 VanDerWaalsContact SG-OG1 3.34Å; T52-Q76 PolarHBondContact O-NE2 2.83Å; T52-Q76 VanDerWaalsContact O-NE2 3.11Å; T52-Q76 PolarHBondContact O-OE1 2.84Å
53I88Confident83.1Confident0 Ų058.6 Ų58.60%033%0.327CS..EExtended strand (participates in β ladder)trans-109.4135.1167.9-73.1176.5000109.5L36 A58 I70 N72 Q76 F78L36-I53 PolarHBondContact N-O 3.11Å; L36-I53 PolarHBondContact O-N 2.89Å; I53-A58 HydrophobicContact CG2-CB 3.8Å; I53-I70 HydrophobicContact CD1-CB 4.39Å; I53-I70 HydrophobicContact CD1-CG2 3.99Å; I53-I70 HydrophobicContact CG2-CG2 4.07Å; I53-N72 HydrophobicContact CG2-CB 4.21Å; I53-Q76 HydrophobicContact CD1-CB 4.3Å; I53-Q76 HydrophobicContact CG1-CB 4.12Å; I53-F78 HydrophobicContact CB-CE2 4.43Å; I53-F78 HydrophobicContact CD1-CB 4.35Å; I53-F78 HydrophobicContact CD1-CD1 4.1Å; I53-F78 HydrophobicContact CD1-CD2 3.53Å; I53-F78 HydrophobicContact CD1-CE1 4.25Å; I53-F78 HydrophobicContact CD1-CE2 3.72Å; I53-F78 HydrophobicContact CD1-CG 3.73Å; I53-F78 HydrophobicContact CD1-CZ 4.07Å; I53-F78 HydrophobicContact CG1-CD2 4.09Å; I53-F78 HydrophobicContact CG1-CE1 4.46Å; I53-F78 HydrophobicContact CG1-CE2 3.73Å; I53-F78 HydrophobicContact CG1-CZ 3.92Å
54K86.7Confident83.4Confident131 Ų13156.5 Ų56.557%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-82120.2170.2-65.5-174.3175.7-176.40109.5L35 A56L35-K54 HydrophobicContact CD2-CB 4.35Å; L35-K54 HydrophobicContact CD2-CG 3.73Å; K54-A56 PolarHBondContact O-N 2.89Å
55L89.3Confident83.9Confident0 Ų059.1 Ų59.10%033%0.331CS..G310 helixtrans-73.5-23.6-172.6-65.7-176.7000114.6L31 G34 L36 D57 A58 L95 K99L31-L55 HydrophobicContact CD1-CD1 3.48Å; L31-L55 VanDerWaalsContact CD1-CD1 3.48Å; G34-L55 WeakPolarHBondContact O-CB 3.41Å; G34-L55 PolarHBondContact O-N 3.16Å; L36-L55 HydrophobicContact CB-CD2 4.34Å; L55-D57 PolarHBondContact O-N 2.83Å; L55-A58 HydrophobicContact CD2-CB 4.22Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.07Å; L55-L95 HydrophobicContact CD1-CD2 4.03Å; L55-L95 HydrophobicContact CD2-CD2 4.01Å; L55-K99 HydrophobicContact CB-CB 4.08Å; L55-K99 WeakPolarHBondContact O-CD 3.37Å; L55-K99 WeakPolarHBondContact O-CG 3.45Å
56A83.8Confident84.6Confident24 Ų2456.9 Ų56.920%0.19832%0.321CS..G310 helixtrans-55.3-38.2-179.300000113.2K54 A102 V103K54-A56 PolarHBondContact O-N 2.89Å; A56-A102 HydrophobicContact CB-CB 4.15Å; A56-V103 WeakPolarHBondContact O-CG2 3.48Å
57D83.5Confident86.2Confident67 Ų6756.7 Ų56.736%0.35830%0.303SS..G310 helixtrans-103.83.6178.6-64.1-79.4000113.1L55 R106L55-D57 PolarHBondContact O-N 2.83Å; D57-R106 IonicContact OD1-CZ 2.89Å; D57-R106 IonicContact OD1-NH1 3.82Å; D57-R106 PolarHBondContact OD1-NH1 3.01Å; D57-R106 IonicContact OD1-NH2 2.66Å; D57-R106 IonicContact OD2-CZ 3.74Å; D57-R106 IonicContact OD2-NH1 3.8Å; D57-R106 PolarHBondContact OD2-NH1 3.19Å
58A87.6Confident88Confident0 Ų049.9 Ų49.90%027%0.272CS..  trans-85140.5-173.500000113.3I53 L55 I70 S71 K99I53-A58 HydrophobicContact CG2-CB 3.8Å; L55-A58 HydrophobicContact CD2-CB 4.22Å; L55-A58 PolarHBondContact O-N 2.92Å; L55-A58 VanDerWaalsContact O-N 3.07Å; A58-I70 HydrophobicContact CB-CG2 4.21Å; A58-S71 CarbonylContact C-O 3.55Å; A58-S71 WeakPolarHBondContact CA-O 3.3Å; A58-K99 WeakPolarHBondContact O-CE 3.18Å; A58-K99 PolarHBondContact O-NZ 3.33Å
59T89Confident88.9Confident66 Ų6649 Ų4941%0.40527%0.265SS..EExtended strand (participates in β ladder)trans-96.213616273.70000110I70 S71T59-I70 WeakPolarHBondContact O-CA 3.49Å; T59-S71 PolarHBondContact N-O 3.27Å; T59-S71 PolarHBondContact O-N 2.74Å; T59-S71 PolarHBondContact OG1-OG 2.9Å
60V90.7Very high89.3Confident48 Ų4846.1 Ų46.129%0.29125%0.245SC..EExtended strand (participates in β ladder)trans-117.9131.1178.5-178.40000107.5E69 I70 L92V60-E69 CarbonylContact C-O 3.54Å; V60-E69 WeakPolarHBondContact CA-O 3.24Å; V60-I70 HydrophobicContact CG1-CG1 4.39Å; V60-I70 HydrophobicContact CG2-CG1 4.35Å; V60-I70 HydrophobicContact CG2-CG2 4.31Å; V60-L92 HydrophobicContact CG1-CD2 3.52Å
61K91.2Very high89.6Confident101 Ų10145.1 Ų45.144%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-134.5130.3-176.9-55.9176.6-164.4155.20110.8F68 E69K61-F68 CarbonylContact O-C 3.14Å; K61-F68 VanDerWaalsContact O-CA 3.25Å; K61-F68 WeakPolarHBondContact O-CA 3.46Å; K61-F68 WeakPolarHBondContact O-CB 3.39Å; K61-E69 HydrophobicContact CB-CB 4.46Å; K61-E69 WeakPolarHBondContact CD-OE1 3.22Å; K61-E69 WeakPolarHBondContact CE-OE1 3.45Å; K61-E69 PolarHBondContact N-O 3.37Å; K61-E69 IonicContact NZ-OE1 2.73Å; K61-E69 PolarHBondContact NZ-OE1 2.88Å; K61-E69 PolarHBondContact O-N 2.57Å
62K93Very high89.5Confident94 Ų9445.2 Ų45.241%0.40924%0.241SC..EExtended strand (participates in β ladder)trans-76.7128.7164.6178.3162172.5145.90108.6G64 E85 L92K62-G64 VanDerWaalsContact CE-O 3.23Å; K62-G64 WeakPolarHBondContact CE-O 3.09Å; K62-G64 WeakPolarHBondContact CG-O 3.45Å; K62-E85 IonicContact NZ-OE1 3.7Å; K62-E85 PolarHBondContact NZ-OE1 2.87Å; K62-L92 HydrophobicContact CB-CD1 4.03Å; K62-L92 HydrophobicContact CD-CD1 4.05Å; K62-L92 HydrophobicContact CG-CD1 4.32Å
63I88.8Confident88.5Confident98 Ų9848 Ų4850%0.50326%0.262SS..  trans-112.6-26-176.9-68.3-172.2000112.1Y67 E69I63-Y67 PolarHBondContact N-O 3.16Å; I63-E69 HydrophobicContact CD1-CB 3.46Å; I63-E69 VanDerWaalsContact CD1-CB 3.46Å; I63-E69 HydrophobicContact CD1-CG 4.39Å; I63-E69 HydrophobicContact CG1-CB 4.23Å
64G87.7Confident87.2Confident27 Ų2751.4 Ų51.428%0.27829%0.286SS..SBendtrans-158.1-164.6173.600000111.4K62 V66 Y67 Q88K62-G64 VanDerWaalsContact CE-O 3.23Å; K62-G64 WeakPolarHBondContact CE-O 3.09Å; K62-G64 WeakPolarHBondContact CG-O 3.45Å; G64-V66 VanDerWaalsContact C-N 3.34Å; G64-V66 PolarHBondContact O-N 2.79Å; G64-Y67 PolarHBondContact N-O 2.86Å; G64-Y67 VanDerWaalsContact N-O 3.1Å; G64-Q88 PolarHBondContact O-NE2 3.19Å
65T88.9Confident86.3Confident86 Ų8649.3 Ų49.353%0.52829%0.293SS..SBendtrans-63.1-35.717849.40000113.3E85 Q88T65-E85 WeakPolarHBondContact O-CA 3.42Å; T65-E85 VanDerWaalsContact O-CB 3.31Å; T65-E85 WeakPolarHBondContact O-CB 3.31Å; T65-E85 WeakPolarHBondContact O-CG 3.14Å; T65-Q88 VanDerWaalsContact O-CD 3.29Å; T65-Q88 PolarHBondContact O-NE2 3.02Å; T65-Q88 PolarHBondContact O-OE1 3.17Å
66V94.1Very high85.9Confident25 Ų2552.6 Ų52.615%0.15231%0.308CS..SBendtrans-122.6-2.2178.7-59.80000114.3G64 K81 A82G64-V66 VanDerWaalsContact C-N 3.34Å; G64-V66 PolarHBondContact O-N 2.79Å; V66-K81 HydrophobicContact CG2-CG 4.15Å; V66-K81 WeakPolarHBondContact O-CA 3.38Å; V66-A82 PolarHBondContact O-N 2.73Å
67Y94.9Very high86.2Confident78 Ų7856.3 Ų56.331%0.30632%0.32SS..EExtended strand (participates in β ladder)trans-107.1135.3-173.8-63.4-84.9000112.3Y24 I63 G64 I80 K81 Q88Y24-Y67 AromaticContact CE2-CE1 3.94Å; Y24-Y67 HydrophobicContact CE2-CE1 3.94Å; Y24-Y67 AromaticContact CZ-CE1 3.86Å; I63-Y67 PolarHBondContact N-O 3.16Å; G64-Y67 PolarHBondContact N-O 2.86Å; G64-Y67 VanDerWaalsContact N-O 3.1Å; Y67-I80 WeakPolarHBondContact CA-O 3.45Å; Y67-K81 HydrophobicContact CD1-CB 3.84Å; Y67-K81 HydrophobicContact CD1-CD 4.46Å; Y67-K81 HydrophobicContact CD1-CG 4.14Å; Y67-K81 HydrophobicContact CE1-CB 3.78Å; Y67-K81 HydrophobicContact CE1-CD 3.61Å; Y67-K81 HydrophobicContact CE1-CG 3.76Å; Y67-K81 PolarHBondContact OH-NZ 3.33Å; Y67-Q88 PolarHBondContact O-NE2 3.09Å
68F95.3Very high86.6Confident2 Ų253.8 Ų53.81%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-145157.5174.861.6-75.4000112.2L14 K61 I70 I80 A82 Q88 W91 L92 L95L14-F68 HydrophobicContact CD1-CZ 3.95Å; K61-F68 CarbonylContact O-C 3.14Å; K61-F68 VanDerWaalsContact O-CA 3.25Å; K61-F68 WeakPolarHBondContact O-CA 3.46Å; K61-F68 WeakPolarHBondContact O-CB 3.39Å; F68-I70 HydrophobicContact CD2-CD1 4.39Å; F68-I70 HydrophobicContact CD2-CG1 4.28Å; F68-I70 HydrophobicContact CE2-CD1 4.14Å; F68-I80 HydrophobicContact CD1-CB 4.33Å; F68-I80 HydrophobicContact CD1-CG2 4.41Å; F68-I80 HydrophobicContact CD2-CB 4.33Å; F68-I80 HydrophobicContact CE1-CB 4.12Å; F68-I80 HydrophobicContact CE1-CG2 3.73Å; F68-I80 HydrophobicContact CE2-CB 4.12Å; F68-I80 HydrophobicContact CE2-CD1 4.02Å; F68-I80 HydrophobicContact CE2-CG2 4.11Å; F68-I80 HydrophobicContact CG-CB 4.45Å; F68-I80 HydrophobicContact CZ-CB 4.02Å; F68-I80 HydrophobicContact CZ-CD1 4.47Å; F68-I80 HydrophobicContact CZ-CG2 3.57Å; F68-I80 PolarHBondContact N-O 2.98Å; F68-I80 PolarHBondContact O-N 2.96Å; F68-I80 VanDerWaalsContact O-O 3.13Å; F68-A82 HydrophobicContact CE1-CB 4.46Å; F68-Q88 HydrophobicContact CD1-CG 3.73Å; F68-Q88 HydrophobicContact CE1-CG 4.19Å; F68-W91 HydrophobicContact CZ-CB 3.97Å; F68-W91 HydrophobicContact CZ-CG 4.49Å; F68-L92 HydrophobicContact CB-CD2 3.99Å; F68-L92 HydrophobicContact CD2-CD2 4.05Å; F68-L92 HydrophobicContact CG-CD2 4.17Å; F68-L95 HydrophobicContact CD2-CD1 4.4Å; F68-L95 HydrophobicContact CE2-CD1 3.78Å
69E92.3Very high86.9Confident14 Ų1456.5 Ų56.57%0.06532%0.318CS..EExtended strand (participates in β ladder)trans-122138.7-177.9170.2-175.9115.500109.4V60 K61 I63 K77 F78 H79V60-E69 CarbonylContact C-O 3.54Å; V60-E69 WeakPolarHBondContact CA-O 3.24Å; K61-E69 HydrophobicContact CB-CB 4.46Å; K61-E69 WeakPolarHBondContact CD-OE1 3.22Å; K61-E69 WeakPolarHBondContact CE-OE1 3.45Å; K61-E69 PolarHBondContact N-O 3.37Å; K61-E69 IonicContact NZ-OE1 2.73Å; K61-E69 PolarHBondContact NZ-OE1 2.88Å; K61-E69 PolarHBondContact O-N 2.57Å; I63-E69 HydrophobicContact CD1-CB 3.46Å; I63-E69 VanDerWaalsContact CD1-CB 3.46Å; I63-E69 HydrophobicContact CD1-CG 4.39Å; I63-E69 HydrophobicContact CG1-CB 4.23Å; E69-K77 HydrophobicContact CG-CG 4.39Å; E69-K77 WeakPolarHBondContact OE1-CE 3.39Å; E69-K77 IonicContact OE1-NZ 2.66Å; E69-K77 WeakPolarHBondContact OE2-CE 3.39Å; E69-K77 IonicContact OE2-NZ 3.29Å; E69-K77 PolarHBondContact OE2-NZ 2.88Å; E69-F78 WeakPolarHBondContact CA-O 3.28Å; E69-H79 IonicContact OE2-CE1 3.27Å; E69-H79 PolarHBondContact OE2-CE1 2.81Å; E69-H79 IonicContact OE2-ND1 3.16Å; E69-H79 IonicContact OE2-NE2 2.61Å
70I91.8Very high87.1Confident0 Ų053.4 Ų53.40%030%0.299CS..EExtended strand (participates in β ladder)trans-127.1126.5171.6-52.3174.8000107.4L36 I53 A58 T59 V60 F68 K77 F78 I80 L95L36-I70 HydrophobicContact CD2-CD1 3.31Å; I53-I70 HydrophobicContact CD1-CB 4.39Å; I53-I70 HydrophobicContact CD1-CG2 3.99Å; I53-I70 HydrophobicContact CG2-CG2 4.07Å; A58-I70 HydrophobicContact CB-CG2 4.21Å; T59-I70 WeakPolarHBondContact O-CA 3.49Å; V60-I70 HydrophobicContact CG1-CG1 4.39Å; V60-I70 HydrophobicContact CG2-CG1 4.35Å; V60-I70 HydrophobicContact CG2-CG2 4.31Å; F68-I70 HydrophobicContact CD2-CD1 4.39Å; F68-I70 HydrophobicContact CD2-CG1 4.28Å; F68-I70 HydrophobicContact CE2-CD1 4.14Å; I70-K77 WeakPolarHBondContact O-CA 3.18Å; I70-F78 PolarHBondContact N-O 3.27Å; I70-F78 PolarHBondContact O-N 2.95Å; I70-I80 HydrophobicContact CD1-CD1 3.73Å; I70-I80 HydrophobicContact CG1-CD1 4.25Å; I70-L95 HydrophobicContact CD1-CD1 3.57Å; I70-L95 HydrophobicContact CD1-CD2 4.13Å; I70-L95 HydrophobicContact CG1-CD1 4.45Å
71S89.9Confident87.3Confident23 Ų2354.5 Ų54.516%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-135.7150.917961.80000112.5A58 T59 Q76A58-S71 CarbonylContact C-O 3.55Å; A58-S71 WeakPolarHBondContact CA-O 3.3Å; T59-S71 PolarHBondContact N-O 3.27Å; T59-S71 PolarHBondContact O-N 2.74Å; T59-S71 PolarHBondContact OG1-OG 2.9Å; S71-Q76 CarbonylContact C-O 3.55Å; S71-Q76 VanDerWaalsContact CA-O 3.26Å; S71-Q76 WeakPolarHBondContact CA-O 3.31Å
72N82.3Confident87.5Confident22 Ų2249.8 Ų49.812%0.11828%0.28CS..  trans-118153.4-175.9-173.8-4.7000109.5I53 S74 A75 Q76I53-N72 HydrophobicContact CG2-CB 4.21Å; N72-S74 PolarHBondContact ND2-OG 3.19Å; N72-S74 PolarHBondContact O-N 3.44Å; N72-S74 PolarHBondContact OD1-N 3.04Å; N72-A75 PolarHBondContact O-N 3.28Å; N72-Q76 HydrophobicContact CB-CB 4.17Å; N72-Q76 PolarHBondContact N-O 3.33Å; N72-Q76 PolarHBondContact ND2-OE1 3.49Å; N72-Q76 VanDerWaalsContact ND2-OE1 3.13Å
73S70.6Confident87.4Confident102 Ų10250 Ų5071%0.71329%0.286SS*.THydrogen-bonded Turntrans-59.7-25.1171.956.50000112.7A75S73-A75 PolarHBondContact O-N 2.98Å
74S60.7Low87.6Confident72 Ų7247.8 Ų47.850%0.50328%0.279SS..THydrogen-bonded Turntrans-78.636.2172.578.70000114.2N72 Q76N72-S74 PolarHBondContact ND2-OG 3.19Å; N72-S74 PolarHBondContact O-N 3.44Å; N72-S74 PolarHBondContact OD1-N 3.04Å; S74-Q76 PolarHBondContact O-N 2.86Å
75A67.6Low87.9Confident86 Ų8650.3 Ų50.371%0.71128%0.283SS*.SBendtrans56.7-5.7179.700000118.2N72 S73 K77N72-A75 PolarHBondContact O-N 3.28Å; S73-A75 PolarHBondContact O-N 2.98Å; A75-K77 PolarHBondContact O-N 2.73Å
76Q80.8Confident88Confident69 Ų6950.7 Ų50.732%0.32229%0.29SS..  trans-65.3133.7176.7-65.8173.9-44.900111.1T52 I53 S71 N72 S74T52-Q76 PolarHBondContact O-NE2 2.83Å; T52-Q76 VanDerWaalsContact O-NE2 3.11Å; T52-Q76 PolarHBondContact O-OE1 2.84Å; I53-Q76 HydrophobicContact CD1-CB 4.3Å; I53-Q76 HydrophobicContact CG1-CB 4.12Å; S71-Q76 CarbonylContact C-O 3.55Å; S71-Q76 VanDerWaalsContact CA-O 3.26Å; S71-Q76 WeakPolarHBondContact CA-O 3.31Å; N72-Q76 HydrophobicContact CB-CB 4.17Å; N72-Q76 PolarHBondContact N-O 3.33Å; N72-Q76 PolarHBondContact ND2-OE1 3.49Å; N72-Q76 VanDerWaalsContact ND2-OE1 3.13Å; S74-Q76 PolarHBondContact O-N 2.86Å
77K88.6Confident88Confident103 Ų10351.7 Ų51.745%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-140.8118.8-178.8-167.3-179.1-166.7-149.50111.1E69 I70 A75 H79E69-K77 HydrophobicContact CG-CG 4.39Å; E69-K77 WeakPolarHBondContact OE1-CE 3.39Å; E69-K77 IonicContact OE1-NZ 2.66Å; E69-K77 WeakPolarHBondContact OE2-CE 3.39Å; E69-K77 IonicContact OE2-NZ 3.29Å; E69-K77 PolarHBondContact OE2-NZ 2.88Å; I70-K77 WeakPolarHBondContact O-CA 3.18Å; A75-K77 PolarHBondContact O-N 2.73Å; K77-H79 VanDerWaalsContact CE-NE2 3.27Å; K77-H79 WeakPolarHBondContact CE-NE2 3.49Å; K77-H79 PolarHBondContact NZ-CE1 3.06Å; K77-H79 PolarHBondContact NZ-NE2 2.9Å
78F92.4Very high88Confident14 Ų1448 Ų486%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-109.4118.2176-62.9-13.2000110.2F29 Y38 I53 E69 I70 I80F29-F78 HydrophobicContact CE1-CD2 4.46Å; Y38-F78 AromaticContact CD1-CE2 3.91Å; Y38-F78 HydrophobicContact CD1-CE2 3.91Å; Y38-F78 AromaticContact CD1-CZ 3.89Å; Y38-F78 HydrophobicContact CD1-CZ 3.89Å; Y38-F78 HydrophobicContact CE1-CE1 4.01Å; Y38-F78 HydrophobicContact CE1-CE2 4.15Å; Y38-F78 AromaticContact CE1-CZ 3.67Å; Y38-F78 HydrophobicContact CE1-CZ 3.67Å; I53-F78 HydrophobicContact CB-CE2 4.43Å; I53-F78 HydrophobicContact CD1-CB 4.35Å; I53-F78 HydrophobicContact CD1-CD1 4.1Å; I53-F78 HydrophobicContact CD1-CD2 3.53Å; I53-F78 HydrophobicContact CD1-CE1 4.25Å; I53-F78 HydrophobicContact CD1-CE2 3.72Å; I53-F78 HydrophobicContact CD1-CG 3.73Å; I53-F78 HydrophobicContact CD1-CZ 4.07Å; I53-F78 HydrophobicContact CG1-CD2 4.09Å; I53-F78 HydrophobicContact CG1-CE1 4.46Å; I53-F78 HydrophobicContact CG1-CE2 3.73Å; I53-F78 HydrophobicContact CG1-CZ 3.92Å; E69-F78 WeakPolarHBondContact CA-O 3.28Å; I70-F78 PolarHBondContact N-O 3.27Å; I70-F78 PolarHBondContact O-N 2.95Å; F78-I80 HydrophobicContact CB-CD1 4.02Å; F78-I80 HydrophobicContact CB-CG1 4.01Å
79H93.2Very high87.8Confident57 Ų5752.3 Ų52.326%0.26430%0.301SS..EExtended strand (participates in β ladder)trans-91.5121.8166.9-71.3-83.9000109.1K16 W17 E69 K77K16-H79 WeakPolarHBondContact CA-O 3.44Å; W17-H79 HydrophobicContact CB-CB 3.92Å; W17-H79 PolarHBondContact N-O 3.18Å; E69-H79 IonicContact OE2-CE1 3.27Å; E69-H79 PolarHBondContact OE2-CE1 2.81Å; E69-H79 IonicContact OE2-ND1 3.16Å; E69-H79 IonicContact OE2-NE2 2.61Å; K77-H79 VanDerWaalsContact CE-NE2 3.27Å; K77-H79 WeakPolarHBondContact CE-NE2 3.49Å; K77-H79 PolarHBondContact NZ-CE1 3.06Å; K77-H79 PolarHBondContact NZ-NE2 2.9Å
80I94.8Very high87.9Confident1 Ų153.9 Ų53.91%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-130.3139.1-167-52177000110.6L14 Y15 F29 L36 Y67 F68 I70 F78L14-I80 HydrophobicContact CB-CG2 3.82Å; L14-I80 HydrophobicContact CD1-CG2 3.84Å; L14-I80 HydrophobicContact CG-CG2 4.33Å; Y15-I80 CarbonylContact O-C 3.5Å; Y15-I80 WeakPolarHBondContact O-CA 3.12Å; F29-I80 HydrophobicContact CE1-CD1 3.82Å; F29-I80 HydrophobicContact CZ-CD1 3.96Å; F29-I80 HydrophobicContact CZ-CG1 4.21Å; F29-I80 HydrophobicContact CZ-CG2 4.49Å; L36-I80 HydrophobicContact CD2-CD1 4.42Å; Y67-I80 WeakPolarHBondContact CA-O 3.45Å; F68-I80 HydrophobicContact CD1-CB 4.33Å; F68-I80 HydrophobicContact CD1-CG2 4.41Å; F68-I80 HydrophobicContact CD2-CB 4.33Å; F68-I80 HydrophobicContact CE1-CB 4.12Å; F68-I80 HydrophobicContact CE1-CG2 3.73Å; F68-I80 HydrophobicContact CE2-CB 4.12Å; F68-I80 HydrophobicContact CE2-CD1 4.02Å; F68-I80 HydrophobicContact CE2-CG2 4.11Å; F68-I80 HydrophobicContact CG-CB 4.45Å; F68-I80 HydrophobicContact CZ-CB 4.02Å; F68-I80 HydrophobicContact CZ-CD1 4.47Å; F68-I80 HydrophobicContact CZ-CG2 3.57Å; F68-I80 PolarHBondContact N-O 2.98Å; F68-I80 PolarHBondContact O-N 2.96Å; F68-I80 VanDerWaalsContact O-O 3.13Å; I70-I80 HydrophobicContact CD1-CD1 3.73Å; I70-I80 HydrophobicContact CG1-CD1 4.25Å; F78-I80 HydrophobicContact CB-CD1 4.02Å; F78-I80 HydrophobicContact CB-CG1 4.01Å
81K94.9Very high88.1Confident70 Ų7054 Ų5430%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-122.4128.7175.4174.3-175.9-174.7172.40110.2Y15 Y24 V66 Y67Y15-K81 PolarHBondContact N-O 3.33Å; Y15-K81 PolarHBondContact O-N 3.2Å; Y24-K81 HydrophobicContact CD1-CB 4.01Å; Y24-K81 HydrophobicContact CE1-CB 3.91Å; V66-K81 HydrophobicContact CG2-CG 4.15Å; V66-K81 WeakPolarHBondContact O-CA 3.38Å; Y67-K81 HydrophobicContact CD1-CB 3.84Å; Y67-K81 HydrophobicContact CD1-CD 4.46Å; Y67-K81 HydrophobicContact CD1-CG 4.14Å; Y67-K81 HydrophobicContact CE1-CB 3.78Å; Y67-K81 HydrophobicContact CE1-CD 3.61Å; Y67-K81 HydrophobicContact CE1-CG 3.76Å; Y67-K81 PolarHBondContact OH-NZ 3.33Å
82A95.1Very high88.3Confident2 Ų254.2 Ų54.22%0.01732%0.316CS..  trans-88.2165.4169.700000111.8L14 V66 F68 E87 Q88L14-A82 HydrophobicContact CD2-CB 3.9Å; V66-A82 PolarHBondContact O-N 2.73Å; F68-A82 HydrophobicContact CE1-CB 4.46Å; A82-E87 HydrophobicContact CB-CB 4.25Å; A82-E87 HydrophobicContact CB-CG 4.11Å; A82-Q88 HydrophobicContact CB-CB 3.94Å
83N91.3Very high88.7Confident99 Ų9956.3 Ų56.353%0.52933%0.332SS..SBendtrans-78.4-24.7176.1-52.9-79.7000111.9Y13 Y15 E87Y13-N83 PolarHBondContact O-ND2 2.85Å; Y15-N83 WeakPolarHBondContact CE2-OD1 3.47Å; N83-E87 WeakPolarHBondContact CA-OE2 3.49Å; N83-E87 VanDerWaalsContact CB-OE2 3.23Å; N83-E87 WeakPolarHBondContact CB-OE2 3.49Å; N83-E87 PolarHBondContact N-OE2 2.96Å; N83-E87 PolarHBondContact ND2-OE1 2.72Å; N83-E87 PolarHBondContact ND2-OE2 2.72Å
84S93.2Very high89.8Confident51 Ų5152.4 Ų52.436%0.35731%0.306SS..SBendtrans-148.4163.5176.568.80000112.1S86 E87 Q88S84-S86 VanDerWaalsContact C-N 3.29Å; S84-S86 PolarHBondContact O-N 2.94Å; S84-E87 PolarHBondContact O-N 2.83Å; S84-E87 WeakPolarHBondContact OG-CB 3.36Å; S84-E87 PolarHBondContact OG-N 3Å; S84-E87 VanDerWaalsContact OG-N 3.12Å; S84-Q88 PolarHBondContact O-N 2.94Å
85E92.4Very high91.3Very high80 Ų8049 Ų4937%0.37428%0.282SS..Hα-helixtrans-67.1-31.1173.6-179.1153.6-14400112.1K62 T65 Q88 L89K62-E85 IonicContact NZ-OE1 3.7Å; K62-E85 PolarHBondContact NZ-OE1 2.87Å; T65-E85 WeakPolarHBondContact O-CA 3.42Å; T65-E85 VanDerWaalsContact O-CB 3.31Å; T65-E85 WeakPolarHBondContact O-CB 3.31Å; T65-E85 WeakPolarHBondContact O-CG 3.14Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.04Å; E85-L89 HydrophobicContact CG-CD1 4.02Å; E85-L89 HydrophobicContact CG-CG 4.3Å; E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 VanDerWaalsContact O-CG 3.26Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.91Å
86S91.3Very high92.4Very high95 Ų9548 Ų4866%0.66427%0.27SS*.Hα-helixtrans-60.8-47.5172.7-177.60000111.6S84 L89 A90S84-S86 VanDerWaalsContact C-N 3.29Å; S84-S86 PolarHBondContact O-N 2.94Å; S86-L89 PolarHBondContact O-N 2.85Å; S86-A90 WeakPolarHBondContact O-CB 3.39Å; S86-A90 PolarHBondContact O-N 3.49Å
87E93.6Very high92.7Very high46 Ų4649.3 Ų49.322%0.21528%0.279CS..Hα-helixtrans-65-40.3175.1179.2178.7-132.700111.8L14 A82 N83 S84 L89 A90 W91L14-E87 HydrophobicContact CD2-CG 4.34Å; A82-E87 HydrophobicContact CB-CB 4.25Å; A82-E87 HydrophobicContact CB-CG 4.11Å; N83-E87 WeakPolarHBondContact CA-OE2 3.49Å; N83-E87 VanDerWaalsContact CB-OE2 3.23Å; N83-E87 WeakPolarHBondContact CB-OE2 3.49Å; N83-E87 PolarHBondContact N-OE2 2.96Å; N83-E87 PolarHBondContact ND2-OE1 2.72Å; N83-E87 PolarHBondContact ND2-OE2 2.72Å; S84-E87 PolarHBondContact O-N 2.83Å; S84-E87 WeakPolarHBondContact OG-CB 3.36Å; S84-E87 PolarHBondContact OG-N 3Å; S84-E87 VanDerWaalsContact OG-N 3.12Å; E87-L89 PolarHBondContact O-N 2.77Å; E87-A90 PolarHBondContact O-N 2.98Å; E87-W91 VanDerWaalsContact O-CD1 3.31Å; E87-W91 PolarHBondContact O-N 2.84Å
88Q95.1Very high92.7Very high0 Ų044.5 Ų44.50%026%0.258CS..Hα-helixtrans-57.9-47.7174.7-168.2-145.952.200111.6G64 T65 Y67 F68 A82 S84 E85 W91 L92G64-Q88 PolarHBondContact O-NE2 3.19Å; T65-Q88 VanDerWaalsContact O-CD 3.29Å; T65-Q88 PolarHBondContact O-NE2 3.02Å; T65-Q88 PolarHBondContact O-OE1 3.17Å; Y67-Q88 PolarHBondContact O-NE2 3.09Å; F68-Q88 HydrophobicContact CD1-CG 3.73Å; F68-Q88 HydrophobicContact CE1-CG 4.19Å; A82-Q88 HydrophobicContact CB-CB 3.94Å; S84-Q88 PolarHBondContact O-N 2.94Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.04Å; Q88-W91 PolarHBondContact O-N 2.88Å; Q88-L92 HydrophobicContact CG-CD1 3.92Å; Q88-L92 HydrophobicContact CG-CG 4.44Å; Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 VanDerWaalsContact O-CG 3.25Å; Q88-L92 WeakPolarHBondContact O-CG 2.98Å; Q88-L92 PolarHBondContact O-N 3.35Å
89L93Very high92.5Very high93 Ų9346.8 Ų46.849%0.48727%0.268SS..Hα-helixtrans-65.9-37.5179.5-70.5169.8000111.9E85 S86 E87 L92 S93E85-L89 HydrophobicContact CG-CD1 4.02Å; E85-L89 HydrophobicContact CG-CG 4.3Å; E85-L89 WeakPolarHBondContact O-CB 3.39Å; E85-L89 VanDerWaalsContact O-CG 3.26Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.91Å; S86-L89 PolarHBondContact O-N 2.85Å; E87-L89 PolarHBondContact O-N 2.77Å; L89-L92 PolarHBondContact O-N 2.62Å; L89-S93 VanDerWaalsContact O-CB 3.29Å; L89-S93 WeakPolarHBondContact O-CB 3.44Å; L89-S93 PolarHBondContact O-N 2.96Å
90A93.7Very high92.2Very high46 Ų4648.3 Ų48.338%0.3828%0.282SS..Hα-helixtrans-61.6-49173.800000111.9M10 S86 E87 S93 A94M10-A90 HydrophobicContact CE-CB 3.95Å; S86-A90 WeakPolarHBondContact O-CB 3.39Å; S86-A90 PolarHBondContact O-N 3.49Å; E87-A90 PolarHBondContact O-N 2.98Å; A90-S93 PolarHBondContact O-N 3.2Å; A90-A94 PolarHBondContact O-N 3.35Å
91W95Very high91.7Very high3 Ų350 Ų501%0.01130%0.295CS..Hα-helixtrans-64.4-43176.4-82.599.7000112.3M10 L14 F29 L31 L36 F68 E87 Q88 S93 A94 L95M10-W91 HydrophobicContact CB-CZ3 4.34Å; M10-W91 HydrophobicContact CE-CB 4.42Å; M10-W91 HydrophobicContact CE-CD2 3.7Å; M10-W91 HydrophobicContact CE-CE3 4.44Å; M10-W91 HydrophobicContact CE-CG 3.66Å; M10-W91 HydrophobicContact CE-CZ2 4.39Å; M10-W91 HydrophobicContact CG-CD2 4.32Å; M10-W91 HydrophobicContact CG-CE3 4.24Å; M10-W91 HydrophobicContact CG-CH2 4.09Å; M10-W91 HydrophobicContact CG-CZ2 4.17Å; M10-W91 HydrophobicContact CG-CZ3 4.13Å; M10-W91 HydrophobicContact SD-CB 4.49Å; M10-W91 HydrophobicContact SD-CD2 3.6Å; M10-W91 HydrophobicContact SD-CE3 3.73Å; M10-W91 HydrophobicContact SD-CG 3.95Å; M10-W91 HydrophobicContact SD-CZ2 4.47Å; M10-W91 HydrophobicContact SD-CZ3 4.23Å; L14-W91 HydrophobicContact CD1-CD2 3.72Å; L14-W91 HydrophobicContact CD1-CE3 4.25Å; L14-W91 HydrophobicContact CD1-CG 3.97Å; L14-W91 HydrophobicContact CD1-CZ2 4.02Å; L14-W91 HydrophobicContact CG-CZ2 4.41Å; F29-W91 HydrophobicContact CB-CH2 3.7Å; F29-W91 HydrophobicContact CB-CZ2 4.23Å; F29-W91 HydrophobicContact CB-CZ3 4.25Å; L31-W91 HydrophobicContact CB-CZ3 4Å; L36-W91 HydrophobicContact CD1-CZ3 3.91Å; F68-W91 HydrophobicContact CZ-CB 3.97Å; F68-W91 HydrophobicContact CZ-CG 4.49Å; E87-W91 VanDerWaalsContact O-CD1 3.31Å; E87-W91 PolarHBondContact O-N 2.84Å; Q88-W91 PolarHBondContact O-N 2.88Å; W91-S93 VanDerWaalsContact C-N 3.32Å; W91-S93 PolarHBondContact O-N 3.11Å; W91-A94 PolarHBondContact O-N 2.88Å; W91-L95 VanDerWaalsContact O-CB 3.27Å; W91-L95 WeakPolarHBondContact O-CB 3.44Å; W91-L95 WeakPolarHBondContact O-CD1 3.24Å; W91-L95 WeakPolarHBondContact O-CG 3.24Å; W91-L95 PolarHBondContact O-N 3.27Å
92L93.8Very high91Very high28 Ų2847.2 Ų47.215%0.14729%0.286CS..Hα-helixtrans-61.1-40.1176.5-74.4171000112.1V60 K62 F68 Q88 L89 S96V60-L92 HydrophobicContact CG1-CD2 3.52Å; K62-L92 HydrophobicContact CB-CD1 4.03Å; K62-L92 HydrophobicContact CD-CD1 4.05Å; K62-L92 HydrophobicContact CG-CD1 4.32Å; F68-L92 HydrophobicContact CB-CD2 3.99Å; F68-L92 HydrophobicContact CD2-CD2 4.05Å; F68-L92 HydrophobicContact CG-CD2 4.17Å; Q88-L92 HydrophobicContact CG-CD1 3.92Å; Q88-L92 HydrophobicContact CG-CG 4.44Å; Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 VanDerWaalsContact O-CG 3.25Å; Q88-L92 WeakPolarHBondContact O-CG 2.98Å; Q88-L92 PolarHBondContact O-N 3.35Å; L89-L92 PolarHBondContact O-N 2.62Å; L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.3Å
93S92Very high90.3Very high65 Ų6549.3 Ų49.346%0.45530%0.298SS..Hα-helixtrans-63.7-51.9175-176.30000111.5L89 A90 W91 L95 S96 N97L89-S93 VanDerWaalsContact O-CB 3.29Å; L89-S93 WeakPolarHBondContact O-CB 3.44Å; L89-S93 PolarHBondContact O-N 2.96Å; A90-S93 PolarHBondContact O-N 3.2Å; W91-S93 VanDerWaalsContact C-N 3.32Å; W91-S93 PolarHBondContact O-N 3.11Å; S93-L95 PolarHBondContact O-N 3.38Å; S93-S96 PolarHBondContact O-N 3.08Å; S93-N97 PolarHBondContact O-N 3.37Å; S93-N97 PolarHBondContact O-ND2 2.95Å; S93-N97 PolarHBondContact O-OD1 3.04Å
94A92.6Very high89.7Confident20 Ų2046.7 Ų46.717%0.16529%0.29CS..Hα-helixtrans-60-45.5178.600000112M10 L31 A90 W91 S96 N97 S98M10-A94 HydrophobicContact CB-CB 4.3Å; M10-A94 HydrophobicContact SD-CB 3.48Å; M10-A94 WeakPolarHBondContact SD-CB 3.42Å; L31-A94 HydrophobicContact CD2-CB 3.73Å; A90-A94 PolarHBondContact O-N 3.35Å; W91-A94 PolarHBondContact O-N 2.88Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3.24Å; A94-N97 PolarHBondContact O-N 3.43Å; A94-S98 PolarHBondContact O-N 3.45Å; A94-S98 PolarHBondContact O-OG 2.95Å; A94-S98 VanDerWaalsContact O-OG 3.1Å
95L92.7Very high88.5Confident0 Ų049.9 Ų49.90%030%0.303CS..Hα-helixtrans-61.1-38.2176.3-70.9165.4000112.7L31 L36 L55 F68 I70 W91 S93 K99L31-L95 HydrophobicContact CD1-CD2 4.25Å; L31-L95 HydrophobicContact CD2-CD2 4.03Å; L31-L95 HydrophobicContact CD2-CG 4.27Å; L36-L95 HydrophobicContact CB-CD2 4.31Å; L36-L95 HydrophobicContact CD1-CD2 4.17Å; L36-L95 HydrophobicContact CD2-CD2 3.97Å; L36-L95 HydrophobicContact CG-CD2 4.38Å; L55-L95 HydrophobicContact CD1-CD2 4.03Å; L55-L95 HydrophobicContact CD2-CD2 4.01Å; F68-L95 HydrophobicContact CD2-CD1 4.4Å; F68-L95 HydrophobicContact CE2-CD1 3.78Å; I70-L95 HydrophobicContact CD1-CD1 3.57Å; I70-L95 HydrophobicContact CD1-CD2 4.13Å; I70-L95 HydrophobicContact CG1-CD1 4.45Å; W91-L95 VanDerWaalsContact O-CB 3.27Å; W91-L95 WeakPolarHBondContact O-CB 3.44Å; W91-L95 WeakPolarHBondContact O-CD1 3.24Å; W91-L95 WeakPolarHBondContact O-CG 3.24Å; W91-L95 PolarHBondContact O-N 3.27Å; S93-L95 PolarHBondContact O-N 3.38Å; L95-K99 WeakPolarHBondContact O-CB 3.28Å; L95-K99 PolarHBondContact O-N 2.91Å
96S90.2Very high87.1Confident66 Ų6653.2 Ų53.246%0.46231%0.312SS..Hα-helixtrans-68-41.1175.5-169.20000111.8L92 S93 A94 T100L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.41Å; L92-S96 PolarHBondContact O-N 3.3Å; S93-S96 PolarHBondContact O-N 3.08Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3.24Å; S96-T100 WeakPolarHBondContact O-CB 3.27Å; S96-T100 PolarHBondContact O-N 2.98Å; S96-T100 PolarHBondContact O-OG1 3.4Å
97N88.2Confident85.5Confident96 Ų9656.4 Ų56.451%0.51331%0.314SS..Hα-helixtrans-67-54.2178.4-66-12.3000111.1S93 A94 K99 T100 A101S93-N97 PolarHBondContact O-N 3.37Å; S93-N97 PolarHBondContact O-ND2 2.95Å; S93-N97 PolarHBondContact O-OD1 3.04Å; A94-N97 PolarHBondContact O-N 3.43Å; N97-K99 VanDerWaalsContact C-N 3.28Å; N97-K99 PolarHBondContact O-N 3.41Å; N97-T100 WeakPolarHBondContact O-CA 3.38Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.32Å; N97-A101 PolarHBondContact O-N 2.83Å
98S88.4Confident83.5Confident2 Ų260.1 Ų60.11%0.01433%0.331CS..Hα-helixtrans-66.9-27.3178.9-45.70000112.5D8 A94 A102D8-S98 PolarHBondContact OD1-OG 2.72Å; A94-S98 PolarHBondContact O-N 3.45Å; A94-S98 PolarHBondContact O-OG 2.95Å; A94-S98 VanDerWaalsContact O-OG 3.1Å; S98-A102 VanDerWaalsContact O-CB 3.27Å; S98-A102 WeakPolarHBondContact O-CB 3.39Å; S98-A102 PolarHBondContact O-N 3.12Å
99K89Confident81Confident63 Ų6362 Ų6227%0.27435%0.351SS..Hα-helixtrans-63.7-47.3165.8173.2169.1-179.6-175.20111.1L55 A58 L95 N97 A101 A102 V103L55-K99 HydrophobicContact CB-CB 4.08Å; L55-K99 WeakPolarHBondContact O-CD 3.37Å; L55-K99 WeakPolarHBondContact O-CG 3.45Å; A58-K99 WeakPolarHBondContact O-CE 3.18Å; A58-K99 PolarHBondContact O-NZ 3.33Å; L95-K99 WeakPolarHBondContact O-CB 3.28Å; L95-K99 PolarHBondContact O-N 2.91Å; N97-K99 VanDerWaalsContact C-N 3.28Å; N97-K99 PolarHBondContact O-N 3.41Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.34Å; K99-A102 PolarHBondContact O-N 3.13Å; K99-V103 HydrophobicContact CG-CG2 4.24Å; K99-V103 WeakPolarHBondContact O-CG2 3.48Å; K99-V103 PolarHBondContact O-N 3.04Å
100T86.5Confident78.3Confident89 Ų8967.7 Ų67.755%0.54637%0.367SS..Hα-helixtrans-62.3-42-179-57.70000110.7S96 N97 V103 A104S96-T100 WeakPolarHBondContact O-CB 3.27Å; S96-T100 PolarHBondContact O-N 2.98Å; S96-T100 PolarHBondContact O-OG1 3.4Å; N97-T100 WeakPolarHBondContact O-CA 3.38Å; N97-T100 WeakPolarHBondContact O-CB 3.12Å; N97-T100 PolarHBondContact O-N 3.32Å; T100-V103 PolarHBondContact O-N 3.13Å; T100-A104 WeakPolarHBondContact O-CB 3.38Å; T100-A104 PolarHBondContact O-N 3.3Å
101A83.3Confident75.4Confident35 Ų3572.2 Ų72.229%0.28939%0.385SS..Hα-helixtrans-60.3-47.8170.900000112.3N97 K99 V103 A104 L105N97-A101 PolarHBondContact O-N 2.83Å; K99-A101 VanDerWaalsContact C-N 3.32Å; K99-A101 PolarHBondContact O-N 3.34Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; A101-A104 PolarHBondContact O-N 3.39Å; A101-L105 WeakPolarHBondContact O-CB 3.43Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 2.93Å
102A80.6Confident72.4Confident13 Ų1375.5 Ų75.511%0.10741%0.408CS..Hα-helixtrans-63.2-34178.400000113.5A56 S98 K99 R106A56-A102 HydrophobicContact CB-CB 4.15Å; S98-A102 VanDerWaalsContact O-CB 3.27Å; S98-A102 WeakPolarHBondContact O-CB 3.39Å; S98-A102 PolarHBondContact O-N 3.12Å; K99-A102 PolarHBondContact O-N 3.13Å; A102-R106 WeakPolarHBondContact O-CB 3.25Å; A102-R106 PolarHBondContact O-N 2.73Å; A102-R106 VanDerWaalsContact O-N 3.14Å
103V81.3Confident69.4Low45 Ų4580.1 Ų80.127%0.27343%0.433SS..Hα-helixtrans-75-35.7173.8173.20000111.6A56 K99 T100 A101 R106 K107A56-V103 WeakPolarHBondContact O-CG2 3.48Å; K99-V103 HydrophobicContact CG-CG2 4.24Å; K99-V103 WeakPolarHBondContact O-CG2 3.48Å; K99-V103 PolarHBondContact O-N 3.04Å; T100-V103 PolarHBondContact O-N 3.13Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; V103-R106 PolarHBondContact O-N 3.18Å; V103-K107 HydrophobicContact CG1-CD 4.47Å; V103-K107 WeakPolarHBondContact O-CG 3.25Å; V103-K107 PolarHBondContact O-N 2.8Å; V103-K107 VanDerWaalsContact O-N 3.07Å
104A77Confident66.7Low44 Ų4480.1 Ų80.136%0.36444%0.437SS..Hα-helixtrans-64.3-49.7174.400000111.2T100 A101 R106 K107 Q108T100-A104 WeakPolarHBondContact O-CB 3.38Å; T100-A104 PolarHBondContact O-N 3.3Å; A101-A104 PolarHBondContact O-N 3.39Å; A104-R106 VanDerWaalsContact C-N 3.32Å; A104-R106 PolarHBondContact O-N 2.75Å; A104-K107 CarbonylContact O-C 3.45Å; A104-K107 WeakPolarHBondContact O-CA 3.49Å; A104-K107 WeakPolarHBondContact O-CB 3.37Å; A104-K107 PolarHBondContact O-N 2.75Å; A104-Q108 PolarHBondContact O-N 2.62Å
105L68.8Low64.1Low119 Ų11990.3 Ų90.362%0.62347%0.473SS*.Hα-helixtrans-54.9-45.9173.9-71.3166.2000111.5A101 K107 Q108 G109A101-L105 WeakPolarHBondContact O-CB 3.43Å; A101-L105 WeakPolarHBondContact O-CG 3.45Å; A101-L105 PolarHBondContact O-N 2.93Å; L105-K107 PolarHBondContact O-N 3.09Å; L105-Q108 PolarHBondContact O-N 2.66Å; L105-Q108 VanDerWaalsContact O-N 3.17Å; L105-G109 PolarHBondContact O-N 3Å
106R62.8Low61.3Low149 Ų14994.6 Ų94.656%0.56251%0.508SS*.Hα-helixtrans-63.3-26.8175.9-172.1178-179.2-1763.9113.8D57 A102 V103 A104D57-R106 IonicContact OD1-CZ 2.89Å; D57-R106 IonicContact OD1-NH1 3.82Å; D57-R106 PolarHBondContact OD1-NH1 3.01Å; D57-R106 IonicContact OD1-NH2 2.66Å; D57-R106 IonicContact OD2-CZ 3.74Å; D57-R106 IonicContact OD2-NH1 3.8Å; D57-R106 PolarHBondContact OD2-NH1 3.19Å; A102-R106 WeakPolarHBondContact O-CB 3.25Å; A102-R106 PolarHBondContact O-N 2.73Å; A102-R106 VanDerWaalsContact O-N 3.14Å; V103-R106 PolarHBondContact O-N 3.18Å; A104-R106 VanDerWaalsContact C-N 3.32Å; A104-R106 PolarHBondContact O-N 2.75Å
107K58.3Low58.7Low163 Ų16399.4 Ų99.471%0.70953%0.529SS*.Hα-helixtrans-84.5-23.2175.7-76.4-176.9175.1-171.40113.5V103 A104 L105V103-K107 HydrophobicContact CG1-CD 4.47Å; V103-K107 WeakPolarHBondContact O-CG 3.25Å; V103-K107 PolarHBondContact O-N 2.8Å; V103-K107 VanDerWaalsContact O-N 3.07Å; A104-K107 CarbonylContact O-C 3.45Å; A104-K107 WeakPolarHBondContact O-CA 3.49Å; A104-K107 WeakPolarHBondContact O-CB 3.37Å; A104-K107 PolarHBondContact O-N 2.75Å; L105-K107 PolarHBondContact O-N 3.09Å
108Q50.6Low55.9Low124 Ų12497.4 Ų97.458%0.57953%0.53SS*.Hα-helixtrans-85.3-24.8173.4-68.3176.9-67.900112.2A104 L105 Y110A104-Q108 PolarHBondContact O-N 2.62Å; L105-Q108 PolarHBondContact O-N 2.66Å; L105-Q108 VanDerWaalsContact O-N 3.17Å; Q108-Y110 CarbonylContact O-C 3.56Å; Q108-Y110 PolarHBondContact O-N 3.12Å
109G44.4Very low53.2Low39 Ų39108.2 Ų108.240%0.40257%0.573SS.*SBendtrans-65.84.2169.300000115.5L105L105-G109 PolarHBondContact O-N 3Å
110Y35.5Very low50.5Low213 Ų213113.6 Ų113.684%0.83560%0.599SS**SBendtrans-102.5101.4157.1-103.5-97.1000107.6Q108Q108-Y110 CarbonylContact O-C 3.56Å; Q108-Y110 PolarHBondContact O-N 3.12Å
111D32.1Very low47.8Very low141 Ų141116.8 Ų116.875%0.75461%0.612SS**SBendtrans73.9105.6-175.4-152.83000116.2
112S32.2Very low45.5Very low72 Ų72122.2 Ų122.250%0.50364%0.637SS.*  trans74.372171.571.60000120.3A114S112-A114 PolarHBondContact O-N 2.66Å
113D31.5Very low43.2Very low124 Ų124130.1 Ų130.166%0.66368%0.677SS**  trans-67.596.1151.6-72.4-33.4000109.5
114A34Very low41.3Very low65 Ų65134 Ų13454%0.53770%0.696SS.*  trans-151.862.3-176.400000114.7S112S112-A114 PolarHBondContact O-N 2.66Å
115Y38.2Very low39.5Very low235 Ų235138.4 Ų138.492%0.92270%0.704SS**  trans-148.2102.9155.2-92-84.2000106.2
116A34.6Very low37.8Very low90 Ų90139.9 Ų139.974%0.74471%0.706SS**  95.5136.991.100000110.9
117D35.8Very low36.5Very low167 Ų167139.5 Ų139.589%0.89372%0.72SS**  cis-147.6161.29.5-160.10.7000111.6
118G29.6Very low35.3Very low53 Ų53135.6 Ų135.655%0.54671%0.713SS.*SBendtrans77.270.8162.200000118.1
119Y31.5Very low34.7Very low230 Ų230134.4 Ų134.490%0.90272%0.719SS**  -164.9152.7116.1-95.3-62.2000110.1
120E33.1Very low34.7Very low175 Ų175136.6 Ų136.682%0.81873%0.725SS**  trans-88.3160.8-158-64.3146.3141.200114.7
121D29.4Very low35.6Very low156 Ų156129.5 Ų129.583%0.83470%0.703SS**  trans46.7105.3164.7-65.4-13.3000120.8
122D35.4Very low36.7Very low150 Ų150125.6 Ų125.680%0.80268%0.683SS**  -170.587.6121.1-116.1-14.6000111.4D124D122-D124 PolarHBondContact O-N 2.82Å
123D32Very low37.9Very low178 Ų178129.6 Ų129.695%0.95269%0.693SS**  trans-88.180.4-176.5-105.2-37.9000112.8
124D39.7Very low39.8Very low127 Ų127125.3 Ų125.368%0.67967%0.671SS**  trans-145.10.7175.1-153.220.9000116.6D122D122-D124 PolarHBondContact O-N 2.82Å
125Y39.4Very low41.6Very low136 Ų136122.7 Ų122.753%0.53365%0.65SS.*THydrogen-bonded Turntrans-101.221.7-169.3-73.2-70.8000116.7F138Y125-F138 HydrophobicContact CD1-CZ 4.17Å; Y125-F138 HydrophobicContact CE1-CE1 4.23Å; Y125-F138 AromaticContact CE1-CZ 3.54Å; Y125-F138 HydrophobicContact CE1-CZ 3.54Å; Y125-F138 AromaticContact CZ-CZ 3.92Å
126K34.9Very low43.4Very low151 Ų151116.5 Ų116.566%0.65763%0.631SS**THydrogen-bonded Turntrans-104.43-179.5-95-175.3-179172.60117.2
127T34.5Very low45.5Very low140 Ų140117.4 Ų117.486%0.85962%0.616SS**SBendtrans-148.973.3168.8430000113.8
128S34Very low47.6Very low81 Ų81110.5 Ų110.557%0.56658%0.578SS**  trans-151.3146.8160.353.70000111.9
129S37.7Very low50.2Low100 Ų100109.4 Ų109.470%0.69956%0.559SS**  trans-68.9130.1166.742.70000108.9T131S129-T131 VanDerWaalsContact C-N 3.27Å; S129-T131 PolarHBondContact O-N 3.02Å
130T44.1Very low52.6Low85 Ų85102.2 Ų102.252%0.52154%0.536SS..  trans-71.286.2173.349.30000109.9
131T53.6Low55.1Low63 Ų6397.4 Ų97.439%0.38752%0.516SS..  trans-55.4151.3161.753.80000110S129 E133 N134 G135S129-T131 VanDerWaalsContact C-N 3.27Å; S129-T131 PolarHBondContact O-N 3.02Å; T131-E133 PolarHBondContact O-N 3.39Å; T131-N134 WeakPolarHBondContact O-CB 3.34Å; T131-N134 PolarHBondContact O-N 3.41Å; T131-N134 PolarHBondContact OG1-ND2 2.79Å; T131-N134 VanDerWaalsContact OG1-ND2 3.17Å; T131-G135 PolarHBondContact O-N 2.97Å
132D55Low57.9Low59 Ų5990.1 Ų90.132%0.31648%0.478SS..Hα-helixtrans-61.5-32.5-171.5-57.6-62000112.7N134 G135 I136 Q229 R232D132-N134 PolarHBondContact O-N 3.29Å; D132-G135 PolarHBondContact O-N 2.92Å; D132-I136 PolarHBondContact O-N 2.83Å; D132-I136 VanDerWaalsContact O-N 3.15Å; D132-Q229 PolarHBondContact OD1-NE2 3.2Å; D132-R232 VanDerWaalsContact CG-NH1 3.33Å; D132-R232 VanDerWaalsContact CG-NH2 3.35Å; D132-R232 IonicContact OD1-CZ 2.76Å; D132-R232 IonicContact OD1-NH1 3.41Å; D132-R232 PolarHBondContact OD1-NH1 3.47Å; D132-R232 IonicContact OD1-NH2 2.64Å; D132-R232 PolarHBondContact OD1-NH2 2.8Å; D132-R232 IonicContact OD2-CZ 3.87Å; D132-R232 IonicContact OD2-NH1 2.81Å; D132-R232 PolarHBondContact OD2-NH1 3.47Å; D132-R232 IonicContact OD2-NH2 3.68Å; D132-R232 PolarHBondContact OD2-NH2 3.28Å
133E57.9Low60.4Low156 Ų15686.7 Ų86.773%0.72946%0.459SS*.Hα-helixtrans-59.4-42.6174.6-59.5176.7140.300112.7T131 G135 I136 R137T131-E133 PolarHBondContact O-N 3.39Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.48Å; E133-I136 PolarHBondContact O-N 3.01Å; E133-R137 PolarHBondContact O-N 2.65Å
134N70.8Confident63.1Low35 Ų3582.8 Ų82.819%0.18744%0.441CS..Hα-helixtrans-64.8-37.9176.8-79.4-36.7000111.1T131 D132 R137 F138T131-N134 WeakPolarHBondContact O-CB 3.34Å; T131-N134 PolarHBondContact O-N 3.41Å; T131-N134 PolarHBondContact OG1-ND2 2.79Å; T131-N134 VanDerWaalsContact OG1-ND2 3.17Å; D132-N134 PolarHBondContact O-N 3.29Å; N134-R137 PolarHBondContact O-N 2.93Å; N134-R137 PolarHBondContact OD1-NH1 3.02Å; N134-F138 HydrophobicContact CB-CE2 4.26Å; N134-F138 WeakPolarHBondContact O-CD2 3.48Å; N134-F138 VanDerWaalsContact O-CG 3.29Å; N134-F138 WeakPolarHBondContact O-CG 3.27Å; N134-F138 PolarHBondContact O-N 2.85Å; N134-F138 VanDerWaalsContact O-N 3.13Å
135G73.4Confident65.4Low10 Ų1082.9 Ų82.910%0.10344%0.436CS..Hα-helixtrans-61.8-43.2176.200000112.8T131 D132 E133 I139T131-G135 PolarHBondContact O-N 2.97Å; D132-G135 PolarHBondContact O-N 2.92Å; E133-G135 VanDerWaalsContact C-N 3.31Å; E133-G135 PolarHBondContact O-N 3.48Å; G135-I139 WeakPolarHBondContact O-CG1 3.39Å; G135-I139 PolarHBondContact O-N 3.01Å
136I74.8Confident67.9Low104 Ų10478.5 Ų78.553%0.53342%0.421SS..Hα-helixtrans-68.3-45.9177.3-65.6166.9000110.8D132 E133 F138 I139 N140D132-I136 PolarHBondContact O-N 2.83Å; D132-I136 VanDerWaalsContact O-N 3.15Å; E133-I136 PolarHBondContact O-N 3.01Å; I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.01Å; I136-I139 PolarHBondContact O-N 3.31Å; I136-I139 VanDerWaalsContact O-N 3.08Å; I136-N140 PolarHBondContact O-N 2.6Å
137R78.6Confident70.4Confident110 Ų11077.7 Ų77.742%0.41542%0.42SS..Hα-helixtrans-55.2-49178.9-166.1177.676.9-1213.4111.4E133 N134 I139 N140 D141E133-R137 PolarHBondContact O-N 2.65Å; N134-R137 PolarHBondContact O-N 2.93Å; N134-R137 PolarHBondContact OD1-NH1 3.02Å; R137-I139 VanDerWaalsContact C-N 3.27Å; R137-I139 PolarHBondContact O-N 3.21Å; R137-N140 PolarHBondContact O-N 2.97Å; R137-N140 VanDerWaalsContact O-N 3.1Å; R137-D141 PolarHBondContact O-N 3.3Å
138F81.5Confident73Confident21 Ų2173.4 Ų73.49%0.09240%0.398CS..Hα-helixtrans-65.2-24.5178.9-63.8-40.7000115.1Y125 N134 I136 A142 R221Y125-F138 HydrophobicContact CD1-CZ 4.17Å; Y125-F138 HydrophobicContact CE1-CE1 4.23Å; Y125-F138 AromaticContact CE1-CZ 3.54Å; Y125-F138 HydrophobicContact CE1-CZ 3.54Å; Y125-F138 AromaticContact CZ-CZ 3.92Å; N134-F138 HydrophobicContact CB-CE2 4.26Å; N134-F138 WeakPolarHBondContact O-CD2 3.48Å; N134-F138 VanDerWaalsContact O-CG 3.29Å; N134-F138 WeakPolarHBondContact O-CG 3.27Å; N134-F138 PolarHBondContact O-N 2.85Å; N134-F138 VanDerWaalsContact O-N 3.13Å; I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.01Å; F138-A142 VanDerWaalsContact O-CB 3.28Å; F138-A142 WeakPolarHBondContact O-CB 3.37Å; F138-A142 PolarHBondContact O-N 2.96Å; F138-R221 VanDerWaalsContact CE1-NH2 3.34Å
139I83.7Confident75.8Confident30 Ų3071.6 Ų71.615%0.15438%0.381CS..Hα-helixtrans-75-43.5172.6-69.7169.1000109.4G135 I136 R137 A142 L143 W222 I225 F226G135-I139 WeakPolarHBondContact O-CG1 3.39Å; G135-I139 PolarHBondContact O-N 3.01Å; I136-I139 PolarHBondContact O-N 3.31Å; I136-I139 VanDerWaalsContact O-N 3.08Å; R137-I139 VanDerWaalsContact C-N 3.27Å; R137-I139 PolarHBondContact O-N 3.21Å; I139-A142 WeakPolarHBondContact O-CB 3.49Å; I139-A142 PolarHBondContact O-N 3.07Å; I139-L143 HydrophobicContact CG2-CD1 3.99Å; I139-L143 HydrophobicContact CG2-CG 4.44Å; I139-L143 WeakPolarHBondContact O-CG 3.4Å; I139-L143 PolarHBondContact O-N 3.26Å; I139-W222 HydrophobicContact CG2-CZ2 4.32Å; I139-I225 HydrophobicContact CD1-CD1 4.43Å; I139-I225 HydrophobicContact CD1-CG2 4.1Å; I139-I225 HydrophobicContact CG1-CD1 4.2Å; I139-F226 HydrophobicContact CD1-CE1 4.06Å; I139-F226 HydrophobicContact CD1-CZ 4.23Å
140N82.2Confident78.3Confident79 Ų7969.5 Ų69.542%0.42236%0.364SS..Hα-helixtrans-63.9-46.3176.9-66.1-7.1000112I136 R137 A142 L143 V144I136-N140 PolarHBondContact O-N 2.6Å; R137-N140 PolarHBondContact O-N 2.97Å; R137-N140 VanDerWaalsContact O-N 3.1Å; N140-A142 PolarHBondContact O-N 3.4Å; N140-L143 PolarHBondContact O-N 2.78Å; N140-V144 PolarHBondContact O-N 2.82Å
141D84.9Confident80.6Confident75 Ų7567.8 Ų67.840%0.40135%0.354SS..Hα-helixtrans-57-35.3174.8-59.7-25.9000111.9R137 K145R137-D141 PolarHBondContact O-N 3.3Å; D141-K145 WeakPolarHBondContact O-CG 3.43Å; D141-K145 PolarHBondContact O-N 3.24Å
142A88.6Confident82.3Confident3 Ų367.4 Ų67.43%0.02535%0.349CS..Hα-helixtrans-76-33.9176.900000112.8F138 I139 N140 L146 F214 Q218 W222F138-A142 VanDerWaalsContact O-CB 3.28Å; F138-A142 WeakPolarHBondContact O-CB 3.37Å; F138-A142 PolarHBondContact O-N 2.96Å; I139-A142 WeakPolarHBondContact O-CB 3.49Å; I139-A142 PolarHBondContact O-N 3.07Å; N140-A142 PolarHBondContact O-N 3.4Å; A142-L146 WeakPolarHBondContact O-CB 3.36Å; A142-L146 PolarHBondContact O-N 3.07Å; A142-F214 WeakPolarHBondContact O-CZ 3.37Å; A142-Q218 HydrophobicContact CB-CG 3.95Å; A142-W222 HydrophobicContact CB-CZ2 4.06Å
143L87.7Confident84.1Confident77 Ų7765.9 Ų65.940%0.40334%0.341SS..Hα-helixtrans-68.7-44.4176.4-74.4167.8000111.8I139 N140 K145 L146 E147 W222I139-L143 HydrophobicContact CG2-CD1 3.99Å; I139-L143 HydrophobicContact CG2-CG 4.44Å; I139-L143 WeakPolarHBondContact O-CG 3.4Å; I139-L143 PolarHBondContact O-N 3.26Å; N140-L143 PolarHBondContact O-N 2.78Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.06Å; L143-L146 WeakPolarHBondContact O-CA 3.44Å; L143-L146 WeakPolarHBondContact O-CB 3.33Å; L143-L146 PolarHBondContact O-N 3.47Å; L143-E147 PolarHBondContact O-N 3.06Å; L143-W222 HydrophobicContact CD2-CH2 3.83Å; L143-W222 HydrophobicContact CD2-CZ2 4.2Å; L143-W222 HydrophobicContact CG-CH2 4.35Å; L143-W222 HydrophobicContact CG-CZ2 4.24Å
144V88.3Confident85.7Confident96 Ų9664.2 Ų64.258%0.58233%0.333SS*.Hα-helixtrans-59.5-41.8176.3174.60000111.3N140 E147 A148N140-V144 PolarHBondContact O-N 2.82Å; V144-E147 PolarHBondContact O-N 3.1Å; V144-A148 PolarHBondContact O-N 3.32Å; V144-A148 VanDerWaalsContact O-N 3.07Å
145K89Confident86.7Confident129 Ų12969.6 Ų69.656%0.56135%0.351SS*.Hα-helixtrans-69.3-31.5175.1-70.5-179.6-177.6-173.60112.8D141 L143 H149 F214D141-K145 WeakPolarHBondContact O-CG 3.43Å; D141-K145 PolarHBondContact O-N 3.24Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.06Å; K145-H149 PolarHBondContact O-CD2 3.05Å; K145-H149 PolarHBondContact O-N 3.47Å; K145-F214 HydrophobicContact CB-CE1 4.14Å; K145-F214 HydrophobicContact CB-CE2 3.79Å; K145-F214 HydrophobicContact CB-CZ 3.42Å; K145-F214 VanDerWaalsContact CB-CZ 3.42Å; K145-F214 HydrophobicContact CD-CE2 4.13Å; K145-F214 HydrophobicContact CD-CZ 4.43Å
146L90.2Very high87.6Confident44 Ų4473.2 Ų73.223%0.2336%0.362CS..Hα-helixtrans-67.5-44.6174.1-169.867.8000111.4A142 L143 H149 V150 F211 F214 T215A142-L146 WeakPolarHBondContact O-CB 3.36Å; A142-L146 PolarHBondContact O-N 3.07Å; L143-L146 WeakPolarHBondContact O-CA 3.44Å; L143-L146 WeakPolarHBondContact O-CB 3.33Å; L143-L146 PolarHBondContact O-N 3.47Å; L146-H149 PolarHBondContact O-N 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.36Å; L146-V150 PolarHBondContact O-N 3.45Å; L146-F211 HydrophobicContact CD1-CD2 4.12Å; L146-F211 HydrophobicContact CD1-CE2 3.49Å; L146-F211 VanDerWaalsContact CD1-CE2 3.49Å; L146-F211 HydrophobicContact CD1-CZ 4.23Å; L146-F211 HydrophobicContact CG-CE2 4.38Å; L146-F214 HydrophobicContact CB-CE1 4.12Å; L146-F214 HydrophobicContact CD1-CD1 4.18Å; L146-F214 HydrophobicContact CD1-CE1 4.23Å; L146-T215 HydrophobicContact CD1-CG2 3.46Å; L146-T215 VanDerWaalsContact CD1-CG2 3.46Å
147E88.3Confident88.4Confident134 Ų13473 Ų7363%0.62636%0.358SS*.Hα-helixtrans-61.9-40.5177-175.8171.5-159.600112L143 V144 V150 T151L143-E147 PolarHBondContact O-N 3.06Å; V144-E147 PolarHBondContact O-N 3.1Å; E147-V150 PolarHBondContact O-N 3.18Å; E147-T151 WeakPolarHBondContact O-CB 3.5Å; E147-T151 PolarHBondContact O-N 2.94Å; E147-T151 PolarHBondContact O-OG1 2.97Å
148A89.8Confident89Confident50 Ų5073.8 Ų73.841%0.41337%0.37SS..Hα-helixtrans-58.5-49.3171.800000112.3V144 V150 T151 D152V144-A148 PolarHBondContact O-N 3.32Å; V144-A148 VanDerWaalsContact O-N 3.07Å; A148-V150 PolarHBondContact O-N 3.04Å; A148-T151 WeakPolarHBondContact O-CB 3.3Å; A148-T151 PolarHBondContact O-N 3.4Å; A148-D152 PolarHBondContact O-N 3.02Å
149H91.5Very high89.5Confident43 Ų4375 Ų7520%0.19938%0.38CS..Hα-helixtrans-64.2-36.1177.2-75-64.9000113.1K145 L146 D152 L153 F211 F214K145-H149 PolarHBondContact O-CD2 3.05Å; K145-H149 PolarHBondContact O-N 3.47Å; L146-H149 PolarHBondContact O-N 3.31Å; H149-D152 PolarHBondContact O-N 3.17Å; H149-L153 WeakPolarHBondContact O-CG 3.44Å; H149-L153 PolarHBondContact O-N 3.03Å; H149-F211 HydrophobicContact CB-CB 4.37Å; H149-F211 HydrophobicContact CB-CD2 3.8Å; H149-F214 AromaticContact CD2-CD1 3.93Å; H149-F214 AromaticContact CD2-CG 3.86Å; H149-F214 AromaticContact NE2-CG 3.81Å
150V91.6Very high89.9Confident57 Ų5776 Ų7635%0.34538%0.384SS..Hα-helixtrans-64.2-44.2173.7171.50000110.6L146 E147 A148 D152 L153 E154 F211L146-V150 WeakPolarHBondContact O-CG2 3.36Å; L146-V150 PolarHBondContact O-N 3.45Å; E147-V150 PolarHBondContact O-N 3.18Å; A148-V150 PolarHBondContact O-N 3.04Å; V150-D152 VanDerWaalsContact C-N 3.29Å; V150-D152 PolarHBondContact O-N 3.22Å; V150-L153 WeakPolarHBondContact O-CB 3.35Å; V150-L153 PolarHBondContact O-N 2.95Å; V150-E154 PolarHBondContact O-N 3.31Å; V150-F211 HydrophobicContact CG2-CE2 3.88Å
151T91.1Very high90.4Very high49 Ų4976.8 Ų76.830%0.30139%0.389SS..Hα-helixtrans-58.7-39.8177-54.70000111.7E147 A148 E154 R155E147-T151 WeakPolarHBondContact O-CB 3.5Å; E147-T151 PolarHBondContact O-N 2.94Å; E147-T151 PolarHBondContact O-OG1 2.97Å; A148-T151 WeakPolarHBondContact O-CB 3.3Å; A148-T151 PolarHBondContact O-N 3.4Å; T151-E154 PolarHBondContact O-N 3.21Å; T151-R155 WeakPolarHBondContact O-CD 3.41Å; T151-R155 VanDerWaalsContact O-CG 3.25Å; T151-R155 WeakPolarHBondContact O-CG 3.47Å; T151-R155 PolarHBondContact O-N 3Å
152D89.9Confident90.8Very high54 Ų5480.2 Ų80.229%0.28940%0.396SS..Hα-helixtrans-71.4-38.1176.1-77-30.4000113A148 H149 V150 E154 R155 Y156A148-D152 PolarHBondContact O-N 3.02Å; H149-D152 PolarHBondContact O-N 3.17Å; V150-D152 VanDerWaalsContact C-N 3.29Å; V150-D152 PolarHBondContact O-N 3.22Å; D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 2.99Å; D152-R155 WeakPolarHBondContact O-CB 3.26Å; D152-R155 PolarHBondContact O-N 3.38Å; D152-R155 VanDerWaalsContact OD1-CD 3.3Å; D152-R155 WeakPolarHBondContact OD1-CD 3.38Å; D152-R155 IonicContact OD1-CZ 3.43Å; D152-R155 IonicContact OD1-NE 3.6Å; D152-R155 IonicContact OD1-NH1 2.71Å; D152-R155 PolarHBondContact OD1-NH1 2.79Å; D152-Y156 HydrophobicContact CB-CD2 4.49Å; D152-Y156 HydrophobicContact CB-CE2 4.3Å; D152-Y156 WeakPolarHBondContact O-CD2 3.42Å; D152-Y156 PolarHBondContact O-N 3.48Å
153L92.7Very high91.1Very high27 Ų2781.9 Ų81.914%0.14140%0.403CS..Hα-helixtrans-59.6-40.9171.8-73.5170.4000112.2H149 V150 Y156 Q157 M204 C208 F211H149-L153 WeakPolarHBondContact O-CG 3.44Å; H149-L153 PolarHBondContact O-N 3.03Å; V150-L153 WeakPolarHBondContact O-CB 3.35Å; V150-L153 PolarHBondContact O-N 2.95Å; L153-Y156 PolarHBondContact O-N 3.44Å; L153-Q157 WeakPolarHBondContact O-CB 3.32Å; L153-Q157 PolarHBondContact O-N 3.4Å; L153-M204 HydrophobicContact CD2-CE 4.28Å; L153-M204 HydrophobicContact CD2-SD 4.27Å; L153-C208 HydrophobicContact CD2-CB 4.41Å; L153-C208 VanDerWaalsContact CD2-SG 3.53Å; L153-F211 HydrophobicContact CD1-CB 3.97Å; L153-F211 HydrophobicContact CD1-CD1 4.15Å; L153-F211 HydrophobicContact CD1-CD2 4.03Å; L153-F211 HydrophobicContact CD1-CG 3.79Å
154E91.4Very high91.4Very high121 Ų12179.3 Ų79.357%0.56540%0.395SS*.Hα-helixtrans-65-42174.4-69.8-177169.400112.2V150 T151 D152 Y156 Q157 L158V150-E154 PolarHBondContact O-N 3.31Å; T151-E154 PolarHBondContact O-N 3.21Å; D152-E154 VanDerWaalsContact C-N 3.32Å; D152-E154 PolarHBondContact O-N 2.99Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; E154-Y156 PolarHBondContact O-N 3.27Å; E154-Q157 PolarHBondContact O-N 3.36Å; E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3.27Å
155R91.7Very high91.7Very high148 Ų14877.1 Ų77.156%0.55838%0.378SS*.Hα-helixtrans-60.8-41.6174.5-71.9163.2178.4168.92112T151 D152 T159T151-R155 WeakPolarHBondContact O-CD 3.41Å; T151-R155 VanDerWaalsContact O-CG 3.25Å; T151-R155 WeakPolarHBondContact O-CG 3.47Å; T151-R155 PolarHBondContact O-N 3Å; D152-R155 WeakPolarHBondContact O-CB 3.26Å; D152-R155 PolarHBondContact O-N 3.38Å; D152-R155 VanDerWaalsContact OD1-CD 3.3Å; D152-R155 WeakPolarHBondContact OD1-CD 3.38Å; D152-R155 IonicContact OD1-CZ 3.43Å; D152-R155 IonicContact OD1-NE 3.6Å; D152-R155 IonicContact OD1-NH1 2.71Å; D152-R155 PolarHBondContact OD1-NH1 2.79Å; R155-T159 VanDerWaalsContact O-CB 3.31Å; R155-T159 WeakPolarHBondContact O-CB 3.02Å; R155-T159 PolarHBondContact O-N 3.08Å; R155-T159 PolarHBondContact O-OG1 3.4Å
156Y91.9Very high92Very high86 Ų8672.9 Ų72.934%0.33736%0.36SS..Hα-helixtrans-70.8-39.4176.1-72.6-58.2000112D152 L153 E154 T159 M160 A203 M204D152-Y156 HydrophobicContact CB-CD2 4.49Å; D152-Y156 HydrophobicContact CB-CE2 4.3Å; D152-Y156 WeakPolarHBondContact O-CD2 3.42Å; D152-Y156 PolarHBondContact O-N 3.48Å; L153-Y156 PolarHBondContact O-N 3.44Å; E154-Y156 VanDerWaalsContact C-N 3.35Å; E154-Y156 PolarHBondContact O-N 3.27Å; Y156-T159 PolarHBondContact O-N 2.86Å; Y156-M160 VanDerWaalsContact O-CB 3.3Å; Y156-M160 WeakPolarHBondContact O-CB 3.43Å; Y156-M160 PolarHBondContact O-N 3.04Å; Y156-A203 HydrophobicContact CD1-CB 3.83Å; Y156-A203 HydrophobicContact CE1-CB 3.55Å; Y156-M204 WeakPolarHBondContact CB-SD 3.13Å
157Q91.1Very high92.2Very high99 Ų9972.4 Ų72.446%0.46336%0.358SS..Hα-helixtrans-60.7-48.5173.7-172.7-174.610.400111.6L153 E154 T159 M160 N161 M204L153-Q157 WeakPolarHBondContact O-CB 3.32Å; L153-Q157 PolarHBondContact O-N 3.4Å; E154-Q157 PolarHBondContact O-N 3.36Å; Q157-T159 VanDerWaalsContact C-N 3.31Å; Q157-T159 PolarHBondContact O-N 2.74Å; Q157-M160 PolarHBondContact O-N 3.41Å; Q157-N161 WeakPolarHBondContact O-CB 3.45Å; Q157-N161 VanDerWaalsContact O-CG 3.28Å; Q157-N161 PolarHBondContact O-N 3.47Å; Q157-M204 HydrophobicContact CB-CE 4.12Å
158L92.8Very high92.5Very high127 Ų12774.1 Ų74.167%0.66536%0.358SS*.Hα-helixtrans-61.3-40.3177-177.365.3000111.6E154 R162E154-L158 WeakPolarHBondContact O-CB 3.49Å; E154-L158 PolarHBondContact O-N 3.27Å; L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.75Å
159T92.1Very high92.7Very high48 Ų4878.9 Ų78.929%0.29437%0.366SS..Hα-helixtrans-66.1-44.5176.3-63.70000111.7R155 Y156 Q157 R162 K163 A200R155-T159 VanDerWaalsContact O-CB 3.31Å; R155-T159 WeakPolarHBondContact O-CB 3.02Å; R155-T159 PolarHBondContact O-N 3.08Å; R155-T159 PolarHBondContact O-OG1 3.4Å; Y156-T159 PolarHBondContact O-N 2.86Å; Q157-T159 VanDerWaalsContact C-N 3.31Å; Q157-T159 PolarHBondContact O-N 2.74Å; T159-R162 PolarHBondContact O-N 2.82Å; T159-K163 WeakPolarHBondContact O-CG 3.17Å; T159-K163 PolarHBondContact O-N 3.43Å; T159-A200 HydrophobicContact CG2-CB 4.32Å
160M91.6Very high92.8Very high50 Ų5077 Ų7725%0.24636%0.357CS..Hα-helixtrans-62.2-45.7176.4-174174.867.400111.1Y156 Q157 R162 K163 G164 F197Y156-M160 VanDerWaalsContact O-CB 3.3Å; Y156-M160 WeakPolarHBondContact O-CB 3.43Å; Y156-M160 PolarHBondContact O-N 3.04Å; Q157-M160 PolarHBondContact O-N 3.41Å; M160-R162 PolarHBondContact O-N 2.97Å; M160-K163 PolarHBondContact O-N 2.9Å; M160-G164 PolarHBondContact O-N 2.95Å; M160-F197 HydrophobicContact CG-CD2 4.47Å; M160-F197 HydrophobicContact CG-CE2 3.65Å; M160-F197 HydrophobicContact CG-CZ 4.19Å; M160-F197 WeakPolarHBondContact O-CE2 3.2Å
161N92.7Very high92.9Very high96 Ų9677.4 Ų77.451%0.51336%0.36SS..Hα-helixtrans-59-47.6175.6-73-10.3000111.6Q157 K163 G164 E165Q157-N161 WeakPolarHBondContact O-CB 3.45Å; Q157-N161 VanDerWaalsContact O-CG 3.28Å; Q157-N161 PolarHBondContact O-N 3.47Å; N161-K163 VanDerWaalsContact C-N 3.35Å; N161-K163 PolarHBondContact O-N 3.27Å; N161-G164 PolarHBondContact O-N 3.11Å; N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 PolarHBondContact O-N 3.05Å
162R94Very high92.9Very high146 Ų14676.3 Ų76.355%0.55136%0.359SS*.Hα-helixtrans-60.1-41.9176.1179.1174.659152.8-4.5112.2L158 T159 M160 E165 E166L158-R162 WeakPolarHBondContact O-CB 3.45Å; L158-R162 PolarHBondContact O-N 2.75Å; T159-R162 PolarHBondContact O-N 2.82Å; M160-R162 PolarHBondContact O-N 2.97Å; R162-E165 PolarHBondContact O-N 3.45Å; R162-E166 WeakPolarHBondContact O-CG 2.97Å; R162-E166 PolarHBondContact O-N 3.36Å
163K93.5Very high93Very high39 Ų3977 Ų7717%0.1736%0.362CS..Hα-helixtrans-75.8-31179.8-66.1-46-170.4-174.50113.5T159 M160 N161 E165 E166 L167 V196 F197 A200T159-K163 WeakPolarHBondContact O-CG 3.17Å; T159-K163 PolarHBondContact O-N 3.43Å; M160-K163 PolarHBondContact O-N 2.9Å; N161-K163 VanDerWaalsContact C-N 3.35Å; N161-K163 PolarHBondContact O-N 3.27Å; K163-E165 VanDerWaalsContact C-N 3.35Å; K163-E166 WeakPolarHBondContact CD-OE1 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.42Å; K163-E166 IonicContact NZ-OE1 3.89Å; K163-E166 PolarHBondContact NZ-OE1 3.25Å; K163-E166 IonicContact NZ-OE2 3.13Å; K163-E166 PolarHBondContact NZ-OE2 2.88Å; K163-L167 WeakPolarHBondContact O-CB 3.18Å; K163-L167 PolarHBondContact O-N 2.91Å; K163-V196 HydrophobicContact CD-CG1 3.77Å; K163-V196 HydrophobicContact CG-CG1 4Å; K163-F197 HydrophobicContact CB-CB 4.46Å; K163-F197 HydrophobicContact CB-CD2 4.04Å; K163-A200 HydrophobicContact CG-CB 4.46Å
164G94.8Very high92.9Very high23 Ų2377.2 Ų77.224%0.23737%0.365CS..Hα-helixtrans-65.5-38.9170.200000111.6M160 N161 L167 R168 F197M160-G164 PolarHBondContact O-N 2.95Å; N161-G164 PolarHBondContact O-N 3.11Å; G164-L167 PolarHBondContact O-N 2.75Å; G164-R168 WeakPolarHBondContact O-CB 3.25Å; G164-R168 PolarHBondContact O-N 2.82Å; G164-F197 VanDerWaalsContact N-CD2 3.34Å
165E94.7Very high92.6Very high50 Ų5079 Ų7923%0.23437%0.373CS..Hα-helixtrans-72.8-38.9175.8177.861.9-177.500113.1N161 R162 K163 L167 R168 R169N161-E165 WeakPolarHBondContact O-CB 3.48Å; N161-E165 PolarHBondContact O-N 3.05Å; R162-E165 PolarHBondContact O-N 3.45Å; K163-E165 VanDerWaalsContact C-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.13Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 PolarHBondContact O-N 2.76Å; E165-R168 IonicContact OE1-NH2 2.72Å; E165-R168 PolarHBondContact OE1-NH2 3.21Å; E165-R168 VanDerWaalsContact OE1-NH2 3.13Å; E165-R168 IonicContact OE2-CZ 3.73Å; E165-R168 IonicContact OE2-NE 2.74Å; E165-R168 PolarHBondContact OE2-NE 3.25Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.12Å; E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 3.17Å; E165-R169 VanDerWaalsContact O-N 3.08Å; E165-R169 IonicContact OE1-CZ 2.66Å; E165-R169 IonicContact OE1-NE 3.82Å; E165-R169 PolarHBondContact OE1-NE 2.89Å; E165-R169 IonicContact OE1-NH2 2.82Å; E165-R169 PolarHBondContact OE1-NH2 2.81Å
166E94Very high92.5Very high39 Ų3974.9 Ų74.918%0.18237%0.367CS..Hα-helixtrans-58.8-42.1168.9-77.1175.5-144.900111.6R162 K163 S170 R193R162-E166 WeakPolarHBondContact O-CG 2.97Å; R162-E166 PolarHBondContact O-N 3.36Å; K163-E166 WeakPolarHBondContact CD-OE1 3.27Å; K163-E166 WeakPolarHBondContact CD-OE2 3.42Å; K163-E166 IonicContact NZ-OE1 3.89Å; K163-E166 PolarHBondContact NZ-OE1 3.25Å; K163-E166 IonicContact NZ-OE2 3.13Å; K163-E166 PolarHBondContact NZ-OE2 2.88Å; E166-S170 PolarHBondContact O-N 3.47Å; E166-S170 PolarHBondContact O-OG 3.04Å; E166-R193 IonicContact OE2-CZ 3.94Å; E166-R193 IonicContact OE2-NH1 3.18Å; E166-R193 PolarHBondContact OE2-NH1 3.48Å
167L95.7Very high92.1Very high34 Ų3472 Ų7218%0.17836%0.361CS..Hα-helixtrans-64.4-50.1175.1174.657.4000111.4K163 G164 E165 R169 S170 V171 R193 A194 F197K163-L167 WeakPolarHBondContact O-CB 3.18Å; K163-L167 PolarHBondContact O-N 2.91Å; G164-L167 PolarHBondContact O-N 2.75Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.13Å; L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 3.25Å; L167-S170 WeakPolarHBondContact CA-OG 3.43Å; L167-S170 PolarHBondContact O-N 2.72Å; L167-S170 PolarHBondContact O-OG 3.35Å; L167-V171 HydrophobicContact CD1-CG2 4.03Å; L167-V171 WeakPolarHBondContact O-CG2 3.29Å; L167-V171 PolarHBondContact O-N 2.77Å; L167-R193 HydrophobicContact CB-CB 4.24Å; L167-R193 HydrophobicContact CD1-CB 4.1Å; L167-A194 HydrophobicContact CD1-CB 3.94Å; L167-A194 HydrophobicContact CD2-CB 4.41Å; L167-F197 HydrophobicContact CD2-CB 4.12Å; L167-F197 HydrophobicContact CD2-CD1 4.03Å; L167-F197 HydrophobicContact CD2-CG 4.15Å
168R95Very high91.9Very high171 Ų17178.6 Ų78.665%0.64538%0.381SS*.Hα-helixtrans-55.2-41.9-179.4-171.2173.871118.92.9112.1G164 E165 V171 G172G164-R168 WeakPolarHBondContact O-CB 3.25Å; G164-R168 PolarHBondContact O-N 2.82Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 PolarHBondContact O-N 2.76Å; E165-R168 IonicContact OE1-NH2 2.72Å; E165-R168 PolarHBondContact OE1-NH2 3.21Å; E165-R168 VanDerWaalsContact OE1-NH2 3.13Å; E165-R168 IonicContact OE2-CZ 3.73Å; E165-R168 IonicContact OE2-NE 2.74Å; E165-R168 PolarHBondContact OE2-NE 3.25Å; E165-R168 IonicContact OE2-NH2 2.73Å; E165-R168 PolarHBondContact OE2-NH2 3.12Å; R168-V171 PolarHBondContact O-N 2.98Å; R168-G172 PolarHBondContact O-N 3.31Å; R168-G172 VanDerWaalsContact O-N 3.13Å
169R93.9Very high91.6Very high149 Ų14976 Ų7656%0.56237%0.369SS*.Hα-helixtrans-63.5-50.6173.5-68.3174.2-163.2157.81.9111.7E165 L167 V171 G172 D173E165-R169 WeakPolarHBondContact O-CG 3.47Å; E165-R169 PolarHBondContact O-N 3.17Å; E165-R169 VanDerWaalsContact O-N 3.08Å; E165-R169 IonicContact OE1-CZ 2.66Å; E165-R169 IonicContact OE1-NE 3.82Å; E165-R169 PolarHBondContact OE1-NE 2.89Å; E165-R169 IonicContact OE1-NH2 2.82Å; E165-R169 PolarHBondContact OE1-NH2 2.81Å; L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 3.25Å; R169-V171 PolarHBondContact O-N 3.27Å; R169-V171 VanDerWaalsContact O-N 3.12Å; R169-G172 CarbonylContact O-C 3.6Å; R169-G172 PolarHBondContact O-N 3.44Å; R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 2.86Å
170S93.1Very high91.4Very high4 Ų479 Ų793%0.02839%0.388CS..Hα-helixtrans-61.5-22.7178.765.20000114.4E166 L167 D173 V174E166-S170 PolarHBondContact O-N 3.47Å; E166-S170 PolarHBondContact O-OG 3.04Å; L167-S170 WeakPolarHBondContact CA-OG 3.43Å; L167-S170 PolarHBondContact O-N 2.72Å; L167-S170 PolarHBondContact O-OG 3.35Å; S170-D173 WeakPolarHBondContact CA-OD2 3.38Å; S170-V174 WeakPolarHBondContact O-CG2 3.46Å; S170-V174 PolarHBondContact O-N 3.4Å
171V93.1Very high91.3Very high65 Ų6580.8 Ų80.839%0.39440%0.403SS..Hα-helixtrans-76.7-46.1171.2174.10000111.3L167 R168 R169 D173 V174 E175L167-V171 HydrophobicContact CD1-CG2 4.03Å; L167-V171 WeakPolarHBondContact O-CG2 3.29Å; L167-V171 PolarHBondContact O-N 2.77Å; R168-V171 PolarHBondContact O-N 2.98Å; R169-V171 PolarHBondContact O-N 3.27Å; R169-V171 VanDerWaalsContact O-N 3.12Å; V171-D173 PolarHBondContact O-N 3.07Å; V171-V174 WeakPolarHBondContact O-CA 3.49Å; V171-V174 WeakPolarHBondContact O-CB 3.46Å; V171-V174 PolarHBondContact O-N 2.86Å; V171-E175 PolarHBondContact O-N 3.08Å
172G91.7Very high91.1Very high27 Ų2778.7 Ų78.728%0.27839%0.39SS..Hα-helixtrans-63.6-27.4172.300000113.6R168 R169 E175 S176R168-G172 PolarHBondContact O-N 3.31Å; R168-G172 VanDerWaalsContact O-N 3.13Å; R169-G172 CarbonylContact O-C 3.6Å; R169-G172 PolarHBondContact O-N 3.44Å; G172-E175 PolarHBondContact O-N 2.8Å; G172-S176 PolarHBondContact O-N 2.61Å; G172-S176 PolarHBondContact O-OG 2.9Å
173D90.5Very high90.9Very high68 Ų6875.6 Ų75.636%0.36438%0.384SS..Hα-helixtrans-64.8-42.4168.7-65.8-37.2000110.4R169 S170 V171 E175 S176 A177 R186R169-D173 VanDerWaalsContact O-CG 3.25Å; R169-D173 PolarHBondContact O-N 2.86Å; S170-D173 WeakPolarHBondContact CA-OD2 3.38Å; V171-D173 PolarHBondContact O-N 3.07Å; D173-E175 PolarHBondContact O-N 3.07Å; D173-S176 PolarHBondContact O-N 3.02Å; D173-S176 PolarHBondContact O-OG 3.45Å; D173-A177 PolarHBondContact O-N 3.32Å; D173-R186 WeakPolarHBondContact O-CD 3.4Å; D173-R186 PolarHBondContact O-NH1 3.15Å
174V90.7Very high90.7Very high32 Ų3278.9 Ų78.919%0.19440%0.403CS..Hα-helixtrans-62.6-41.6174.3169.30000111.7S170 V171 S176 A177 L183 R186 F187 A190S170-V174 WeakPolarHBondContact O-CG2 3.46Å; S170-V174 PolarHBondContact O-N 3.4Å; V171-V174 WeakPolarHBondContact O-CA 3.49Å; V171-V174 WeakPolarHBondContact O-CB 3.46Å; V171-V174 PolarHBondContact O-N 2.86Å; V174-S176 PolarHBondContact O-N 3.04Å; V174-A177 WeakPolarHBondContact O-CB 3.41Å; V174-A177 PolarHBondContact O-N 2.77Å; V174-L183 HydrophobicContact CG1-CD1 3.93Å; V174-R186 VanDerWaalsContact CG2-C 3.44Å; V174-R186 HydrophobicContact CG2-CB 3.9Å; V174-R186 WeakPolarHBondContact CG2-O 3.26Å; V174-F187 HydrophobicContact CG2-CB 4.36Å; V174-A190 HydrophobicContact CG2-CB 4.02Å
175E86.8Confident90.5Very high158 Ų15884.2 Ų84.274%0.73842%0.421SS*.Hα-helixtrans-64.8-21.8177.9-67.5174.5165.200113.7V171 G172 D173V171-E175 PolarHBondContact O-N 3.08Å; G172-E175 PolarHBondContact O-N 2.8Å; D173-E175 PolarHBondContact O-N 3.07Å
176S87.8Confident90.4Very high61 Ų6184.8 Ų84.843%0.42742%0.421SS..THydrogen-bonded Turntrans-104.78.3-178.656.80000114.6G172 D173 V174 R186G172-S176 PolarHBondContact O-N 2.61Å; G172-S176 PolarHBondContact O-OG 2.9Å; D173-S176 PolarHBondContact O-N 3.02Å; D173-S176 PolarHBondContact O-OG 3.45Å; V174-S176 PolarHBondContact O-N 3.04Å; S176-R186 PolarHBondContact OG-NH1 3.39Å
177A84.4Confident90.3Very high26 Ų2688.7 Ų88.722%0.21544%0.438CS..  trans-67.7136.6174.800000111.9D173 V174 E182 L183D173-A177 PolarHBondContact O-N 3.32Å; V174-A177 WeakPolarHBondContact O-CB 3.41Å; V174-A177 PolarHBondContact O-N 2.77Å; A177-E182 WeakPolarHBondContact CA-OE2 3.09Å; A177-E182 HydrophobicContact CB-CG 4.12Å; A177-L183 HydrophobicContact CB-CB 3.91Å; A177-L183 HydrophobicContact CB-CD1 3.89Å
178R86.4Confident90.1Very high237 Ų23789.4 Ų89.489%0.89444%0.442SS*.  trans-107.3-19.3-176.3-64.8-172.5178.2-162.2-1.5114.9E182R178-E182 PolarHBondContact N-OE2 2.8Å
179D87.9Confident90Very high74 Ų7484.3 Ų84.340%0.39643%0.427SS..SBendtrans-130.8159.1176.386.371.9000112.8T181 E182 L183D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 3.05Å; D179-T181 VanDerWaalsContact OD1-CA 3.3Å; D179-T181 WeakPolarHBondContact OD1-CA 3.47Å; D179-T181 WeakPolarHBondContact OD1-CB 3.48Å; D179-T181 PolarHBondContact OD1-N 2.85Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-E182 PolarHBondContact O-N 3.38Å; D179-E182 PolarHBondContact OD1-N 2.85Å; D179-E182 WeakPolarHBondContact OD2-CB 3.39Å; D179-L183 WeakPolarHBondContact O-CB 3.33Å; D179-L183 PolarHBondContact O-N 2.99Å
180P87.7Confident89.9Confident109 Ų10977.8 Ų77.871%0.70841%0.405SS*.Hα-helixtrans-64.6-25.7-175.3-23.235.1000115.1L184P180-L184 WeakPolarHBondContact O-CB 3.4Å; P180-L184 PolarHBondContact O-N 3.36Å; P180-L184 VanDerWaalsContact O-N 3.11Å
181T89Confident89.9Confident89 Ų8984.4 Ų84.455%0.54643%0.429SS..Hα-helixtrans-77.1-46.7178.9-38.70000109.9D179 L184 Q185D179-T181 VanDerWaalsContact C-N 3.28Å; D179-T181 PolarHBondContact O-N 3.05Å; D179-T181 VanDerWaalsContact OD1-CA 3.3Å; D179-T181 WeakPolarHBondContact OD1-CA 3.47Å; D179-T181 WeakPolarHBondContact OD1-CB 3.48Å; D179-T181 PolarHBondContact OD1-N 2.85Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; T181-L184 PolarHBondContact O-N 2.93Å; T181-Q185 WeakPolarHBondContact O-CG 3.38Å; T181-Q185 PolarHBondContact O-N 2.98Å
182E88.4Confident90Very high52 Ų5286.6 Ų86.624%0.24344%0.435CS..Hα-helixtrans-58.4-47.4171.8177.4173.2-121.400111A177 R178 D179 L184 Q185 R186A177-E182 WeakPolarHBondContact CA-OE2 3.09Å; A177-E182 HydrophobicContact CB-CG 4.12Å; R178-E182 PolarHBondContact N-OE2 2.8Å; D179-E182 PolarHBondContact O-N 3.38Å; D179-E182 PolarHBondContact OD1-N 2.85Å; D179-E182 WeakPolarHBondContact OD2-CB 3.39Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 3.37Å; E182-Q185 PolarHBondContact O-N 3.5Å; E182-Q185 VanDerWaalsContact O-N 3.17Å; E182-R186 VanDerWaalsContact CD-NH2 3.28Å; E182-R186 HydrophobicContact CG-CG 4.21Å; E182-R186 VanDerWaalsContact CG-NE 3.28Å; E182-R186 WeakPolarHBondContact O-CB 3.43Å; E182-R186 WeakPolarHBondContact O-CG 3.4Å; E182-R186 PolarHBondContact O-N 3.19Å; E182-R186 IonicContact OE1-CZ 3.03Å; E182-R186 IonicContact OE1-NE 3.55Å; E182-R186 PolarHBondContact OE1-NE 2.83Å; E182-R186 IonicContact OE1-NH2 3.28Å; E182-R186 PolarHBondContact OE1-NH2 2.7Å; E182-R186 IonicContact OE2-NH2 2.88Å
183L89.2Confident90.1Very high81 Ų8189.7 Ų89.742%0.42444%0.438SS..Hα-helixtrans-56.2-45.8176.8-17966.4000111.6V174 A177 D179 F187V174-L183 HydrophobicContact CG1-CD1 3.93Å; A177-L183 HydrophobicContact CB-CB 3.91Å; A177-L183 HydrophobicContact CB-CD1 3.89Å; D179-L183 WeakPolarHBondContact O-CB 3.33Å; D179-L183 PolarHBondContact O-N 2.99Å; L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 2.98Å
184L90.4Very high90.3Very high108 Ų10888.5 Ų88.557%0.56544%0.438SS*.Hα-helixtrans-65.7-37.8178.4-176.362000112.5P180 T181 E182 N188P180-L184 WeakPolarHBondContact O-CB 3.4Å; P180-L184 PolarHBondContact O-N 3.36Å; P180-L184 VanDerWaalsContact O-N 3.11Å; T181-L184 PolarHBondContact O-N 2.93Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 3.37Å; L184-N188 PolarHBondContact O-N 3.12Å; L184-N188 VanDerWaalsContact O-N 3.16Å; L184-N188 PolarHBondContact O-ND2 3.46Å
185Q90.2Very high90.5Very high135 Ų13591 Ų9163%0.63145%0.453SS*.Hα-helixtrans-67.1-50.4175.9-71.7178.41100111.5T181 E182 F187 N188 L189T181-Q185 WeakPolarHBondContact O-CG 3.38Å; T181-Q185 PolarHBondContact O-N 2.98Å; E182-Q185 PolarHBondContact O-N 3.5Å; E182-Q185 VanDerWaalsContact O-N 3.17Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; Q185-F187 PolarHBondContact O-N 3.11Å; Q185-N188 PolarHBondContact O-N 3.1Å; Q185-L189 PolarHBondContact O-N 3.17Å; Q185-L189 VanDerWaalsContact O-N 3.08Å
186R91.5Very high90.8Very high62 Ų6286.5 Ų86.523%0.23444%0.437CS..Hα-helixtrans-62.6-37.6178.9-63.7-174.9-173.4-160.32.7111.6D173 V174 S176 E182 L189 A190D173-R186 WeakPolarHBondContact O-CD 3.4Å; D173-R186 PolarHBondContact O-NH1 3.15Å; V174-R186 VanDerWaalsContact CG2-C 3.44Å; V174-R186 HydrophobicContact CG2-CB 3.9Å; V174-R186 WeakPolarHBondContact CG2-O 3.26Å; S176-R186 PolarHBondContact OG-NH1 3.39Å; E182-R186 VanDerWaalsContact CD-NH2 3.28Å; E182-R186 HydrophobicContact CG-CG 4.21Å; E182-R186 VanDerWaalsContact CG-NE 3.28Å; E182-R186 WeakPolarHBondContact O-CB 3.43Å; E182-R186 WeakPolarHBondContact O-CG 3.4Å; E182-R186 PolarHBondContact O-N 3.19Å; E182-R186 IonicContact OE1-CZ 3.03Å; E182-R186 IonicContact OE1-NE 3.55Å; E182-R186 PolarHBondContact OE1-NE 2.83Å; E182-R186 IonicContact OE1-NH2 3.28Å; E182-R186 PolarHBondContact OE1-NH2 2.7Å; E182-R186 IonicContact OE2-NH2 2.88Å; R186-L189 PolarHBondContact O-N 3.23Å; R186-A190 PolarHBondContact O-N 3.34Å
187F93Very high91.1Very high120 Ų12086.6 Ų86.653%0.52643%0.429SS..Hα-helixtrans-64.6-40.6175.5-177.6-93.7000112.9V174 L183 Q185 A190 R191V174-F187 HydrophobicContact CG2-CB 4.36Å; L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 2.98Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; Q185-F187 PolarHBondContact O-N 3.11Å; F187-A190 PolarHBondContact O-N 2.72Å; F187-R191 WeakPolarHBondContact O-CB 3.41Å; F187-R191 PolarHBondContact O-N 3.12Å
188N92.1Very high91.5Very high50 Ų5092 Ų9227%0.26745%0.448SS..Hα-helixtrans-64.7-41.2174.5-81.9-71.8000111.6L184 Q185 R191 E192L184-N188 PolarHBondContact O-N 3.12Å; L184-N188 VanDerWaalsContact O-N 3.16Å; L184-N188 PolarHBondContact O-ND2 3.46Å; Q185-N188 PolarHBondContact O-N 3.1Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 PolarHBondContact O-N 3.05Å; N188-R191 PolarHBondContact OD1-NH2 2.81Å; N188-E192 PolarHBondContact O-N 3.34Å
189L91.5Very high91.7Very high64 Ų6485.2 Ų85.234%0.33543%0.433SS..Hα-helixtrans-61.2-44.2174179.562.5000111.9Q185 R186 R191 E192 R193Q185-L189 PolarHBondContact O-N 3.17Å; Q185-L189 VanDerWaalsContact O-N 3.08Å; R186-L189 PolarHBondContact O-N 3.23Å; L189-R191 VanDerWaalsContact C-N 3.33Å; L189-R191 PolarHBondContact O-N 2.79Å; L189-E192 WeakPolarHBondContact O-CB 3.2Å; L189-E192 PolarHBondContact O-N 2.88Å; L189-R193 WeakPolarHBondContact O-CG 3.48Å; L189-R193 PolarHBondContact O-N 3.32Å
190A93Very high91.9Very high11 Ų1182.2 Ų82.29%0.09142%0.418CS..Hα-helixtrans-61.1-40.4175.700000112.1V174 R186 F187 E192 R193 A194V174-A190 HydrophobicContact CG2-CB 4.02Å; R186-A190 PolarHBondContact O-N 3.34Å; F187-A190 PolarHBondContact O-N 2.72Å; A190-E192 PolarHBondContact O-N 2.96Å; A190-R193 PolarHBondContact O-N 2.85Å; A190-A194 WeakPolarHBondContact O-CB 3.35Å; A190-A194 PolarHBondContact O-N 2.96Å
191R93.5Very high92.1Very high144 Ų14478.6 Ų78.654%0.54340%0.395SS..Hα-helixtrans-62.8-38.4174.3-172-173.367.4175.5-2.6112.6F187 N188 L189 T195F187-R191 WeakPolarHBondContact O-CB 3.41Å; F187-R191 PolarHBondContact O-N 3.12Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 PolarHBondContact O-N 3.05Å; N188-R191 PolarHBondContact OD1-NH2 2.81Å; L189-R191 VanDerWaalsContact C-N 3.33Å; L189-R191 PolarHBondContact O-N 2.79Å; R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.33Å
192E94.4Very high92.2Very high111 Ų11179.5 Ų79.552%0.51940%0.395SS..Hα-helixtrans-65.5-46.7173-72.6174.4-171.100111.7N188 L189 A190 A194 T195 V196N188-E192 PolarHBondContact O-N 3.34Å; L189-E192 WeakPolarHBondContact O-CB 3.2Å; L189-E192 PolarHBondContact O-N 2.88Å; A190-E192 PolarHBondContact O-N 2.96Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.78Å; E192-T195 WeakPolarHBondContact O-CB 3.37Å; E192-T195 PolarHBondContact O-N 2.94Å; E192-T195 VanDerWaalsContact O-N 3.12Å; E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 2.84Å
193R93.8Very high92.3Very high92 Ų9278.4 Ų78.435%0.34739%0.394SS..Hα-helixtrans-62.5-37.6176.3-60.9-59.8163.8160.2-5.2112.3E166 L167 L189 A190 T195 V196 F197E166-R193 IonicContact OE2-CZ 3.94Å; E166-R193 IonicContact OE2-NH1 3.18Å; E166-R193 PolarHBondContact OE2-NH1 3.48Å; L167-R193 HydrophobicContact CB-CB 4.24Å; L167-R193 HydrophobicContact CD1-CB 4.1Å; L189-R193 WeakPolarHBondContact O-CG 3.48Å; L189-R193 PolarHBondContact O-N 3.32Å; A190-R193 PolarHBondContact O-N 2.85Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.42Å; R193-V196 PolarHBondContact O-N 2.73Å; R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.73Å
194A94.5Very high92.4Very high42 Ų4276.1 Ų76.135%0.34738%0.382SS..Hα-helixtrans-63.9-37.4174.400000112.2L167 A190 E192 F197 K198L167-A194 HydrophobicContact CD1-CB 3.94Å; L167-A194 HydrophobicContact CD2-CB 4.41Å; A190-A194 WeakPolarHBondContact O-CB 3.35Å; A190-A194 PolarHBondContact O-N 2.96Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.78Å; A194-F197 PolarHBondContact O-N 3.37Å; A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3.23Å
195T94.5Very high92.5Very high84 Ų8475.7 Ų75.752%0.51538%0.384SS..Hα-helixtrans-66.4-44.3175.1-53.60000111.1R191 E192 R193 K198 V199R191-T195 PolarHBondContact O-N 3.4Å; R191-T195 PolarHBondContact O-OG1 3.33Å; E192-T195 WeakPolarHBondContact O-CB 3.37Å; E192-T195 PolarHBondContact O-N 2.94Å; E192-T195 VanDerWaalsContact O-N 3.12Å; R193-T195 VanDerWaalsContact C-N 3.32Å; R193-T195 PolarHBondContact O-N 3.42Å; T195-K198 PolarHBondContact O-N 3.47Å; T195-V199 WeakPolarHBondContact O-CG2 3.35Å; T195-V199 PolarHBondContact O-N 3.15Å
196V92.7Very high92.5Very high65 Ų6573.9 Ų73.939%0.39438%0.378SS..Hα-helixtrans-64.9-40.81761730000111.8K163 E192 R193 V199 A200K163-V196 HydrophobicContact CD-CG1 3.77Å; K163-V196 HydrophobicContact CG-CG1 4Å; E192-V196 WeakPolarHBondContact O-CG2 3.41Å; E192-V196 PolarHBondContact O-N 2.84Å; R193-V196 PolarHBondContact O-N 2.73Å; V196-V199 PolarHBondContact O-N 3.11Å; V196-A200 PolarHBondContact O-N 2.56Å; V196-A200 VanDerWaalsContact O-N 3.1Å
197F94.4Very high92.4Very high62 Ų6271.1 Ų71.127%0.27237%0.368SS..Hα-helixtrans-61.9-45.7175.3-178.6-110.3000111.5M160 K163 G164 L167 R193 A194 V199 A200 S201M160-F197 HydrophobicContact CG-CD2 4.47Å; M160-F197 HydrophobicContact CG-CE2 3.65Å; M160-F197 HydrophobicContact CG-CZ 4.19Å; M160-F197 WeakPolarHBondContact O-CE2 3.2Å; K163-F197 HydrophobicContact CB-CB 4.46Å; K163-F197 HydrophobicContact CB-CD2 4.04Å; G164-F197 VanDerWaalsContact N-CD2 3.34Å; L167-F197 HydrophobicContact CD2-CB 4.12Å; L167-F197 HydrophobicContact CD2-CD1 4.03Å; L167-F197 HydrophobicContact CD2-CG 4.15Å; R193-F197 WeakPolarHBondContact O-CB 3.41Å; R193-F197 PolarHBondContact O-N 2.73Å; A194-F197 PolarHBondContact O-N 3.37Å; F197-V199 VanDerWaalsContact C-N 3.31Å; F197-V199 PolarHBondContact O-N 3.21Å; F197-A200 WeakPolarHBondContact O-CB 3.23Å; F197-A200 PolarHBondContact O-N 2.97Å; F197-A200 VanDerWaalsContact O-N 3.1Å; F197-S201 PolarHBondContact O-N 3.16Å; F197-S201 PolarHBondContact O-OG 2.68Å
198K92.6Very high92.4Very high139 Ų13967.8 Ų67.860%0.60436%0.36SS*.Hα-helixtrans-56.2-42.6175.8-177.8-179.3177.2-178.10112.5A194 T195 S201 M202A194-K198 WeakPolarHBondContact O-CB 3.49Å; A194-K198 PolarHBondContact O-N 3.23Å; T195-K198 PolarHBondContact O-N 3.47Å; K198-S201 PolarHBondContact O-N 3.22Å; K198-M202 HydrophobicContact CG-SD 4.41Å; K198-M202 WeakPolarHBondContact O-CG 3.45Å; K198-M202 PolarHBondContact O-N 2.95Å
199V91.8Very high92.3Very high96 Ų9669.2 Ų69.258%0.58237%0.373SS*.Hα-helixtrans-64-42.7176.8173.60000111.1T195 V196 F197 M202 A203T195-V199 WeakPolarHBondContact O-CG2 3.35Å; T195-V199 PolarHBondContact O-N 3.15Å; V196-V199 PolarHBondContact O-N 3.11Å; F197-V199 VanDerWaalsContact C-N 3.31Å; F197-V199 PolarHBondContact O-N 3.21Å; V199-M202 PolarHBondContact O-N 2.93Å; V199-A203 PolarHBondContact O-N 3.47Å; V199-A203 VanDerWaalsContact O-N 3.09Å
200A91.2Very high92.2Very high11 Ų1171.3 Ų71.39%0.09138%0.381CS..Hα-helixtrans-62.7-42175.500000112.5T159 K163 V196 F197 M202 A203 M204T159-A200 HydrophobicContact CG2-CB 4.32Å; K163-A200 HydrophobicContact CG-CB 4.46Å; V196-A200 PolarHBondContact O-N 2.56Å; V196-A200 VanDerWaalsContact O-N 3.1Å; F197-A200 WeakPolarHBondContact O-CB 3.23Å; F197-A200 PolarHBondContact O-N 2.97Å; F197-A200 VanDerWaalsContact O-N 3.1Å; A200-M202 PolarHBondContact O-N 3.33Å; A200-A203 PolarHBondContact O-N 2.92Å; A200-M204 PolarHBondContact O-N 2.84Å; A200-M204 VanDerWaalsContact O-N 3.07Å
201S91.7Very high92.2Very high32 Ų3273.5 Ų73.522%0.22439%0.389CS..Hα-helixtrans-64-37.9175.4-56.80000112.7F197 K198 M204 V205F197-S201 PolarHBondContact O-N 3.16Å; F197-S201 PolarHBondContact O-OG 2.68Å; K198-S201 PolarHBondContact O-N 3.22Å; S201-M204 PolarHBondContact O-N 2.94Å; S201-V205 WeakPolarHBondContact O-CG2 3.32Å; S201-V205 PolarHBondContact O-N 2.86Å
202M92.1Very high91.9Very high109 Ų10969.3 Ų69.354%0.53738%0.379SS..Hα-helixtrans-66.7-38.2175.8-72.2-178.968.500112.2K198 V199 A200 V205 N206K198-M202 HydrophobicContact CG-SD 4.41Å; K198-M202 WeakPolarHBondContact O-CG 3.45Å; K198-M202 PolarHBondContact O-N 2.95Å; V199-M202 PolarHBondContact O-N 2.93Å; A200-M202 PolarHBondContact O-N 3.33Å; M202-V205 PolarHBondContact O-N 2.88Å; M202-N206 PolarHBondContact O-N 3.06Å; M202-N206 PolarHBondContact O-OD1 2.67Å
203A90.4Very high91.6Very high28 Ų2871.3 Ų71.323%0.23139%0.388CS..Hα-helixtrans-64.2-41.5174.500000112.3Y156 V199 A200 V205 N206 S207Y156-A203 HydrophobicContact CD1-CB 3.83Å; Y156-A203 HydrophobicContact CE1-CB 3.55Å; V199-A203 PolarHBondContact O-N 3.47Å; V199-A203 VanDerWaalsContact O-N 3.09Å; A200-A203 PolarHBondContact O-N 2.92Å; A203-V205 PolarHBondContact O-N 2.88Å; A203-N206 PolarHBondContact O-N 2.92Å; A203-S207 PolarHBondContact O-N 2.66Å
204M91.9Very high91.5Very high34 Ų3468.5 Ų68.517%0.16738%0.379CS..Hα-helixtrans-58.9-45.7173.1-174.266.1174.300111.9L153 Y156 Q157 A200 S201 N206 S207 C208L153-M204 HydrophobicContact CD2-CE 4.28Å; L153-M204 HydrophobicContact CD2-SD 4.27Å; Y156-M204 WeakPolarHBondContact CB-SD 3.13Å; Q157-M204 HydrophobicContact CB-CE 4.12Å; A200-M204 PolarHBondContact O-N 2.84Å; A200-M204 VanDerWaalsContact O-N 3.07Å; S201-M204 PolarHBondContact O-N 2.94Å; M204-N206 PolarHBondContact O-N 3.23Å; M204-S207 PolarHBondContact O-N 3.23Å; M204-C208 PolarHBondContact O-N 2.94Å; M204-C208 PolarHBondContact O-SG 2.82Å
205V91.6Very high91.1Very high99 Ų9968.6 Ų68.660%0.638%0.375SS*.Hα-helixtrans-62.4-40.4178.2169.30000112S201 M202 A203 C208 S209S201-V205 WeakPolarHBondContact O-CG2 3.32Å; S201-V205 PolarHBondContact O-N 2.86Å; M202-V205 PolarHBondContact O-N 2.88Å; A203-V205 PolarHBondContact O-N 2.88Å; V205-C208 PolarHBondContact O-N 3.02Å; V205-S209 PolarHBondContact O-N 3.38Å; V205-S209 VanDerWaalsContact O-N 3.07Å
206N90.5Very high90.7Very high97 Ų9773 Ų7352%0.51938%0.382SS..Hα-helixtrans-63.2-48175.8-70.70.7000111.4M202 A203 M204 C208 S209 E210M202-N206 PolarHBondContact O-N 3.06Å; M202-N206 PolarHBondContact O-OD1 2.67Å; A203-N206 PolarHBondContact O-N 2.92Å; M204-N206 PolarHBondContact O-N 3.23Å; N206-C208 VanDerWaalsContact C-N 3.34Å; N206-C208 PolarHBondContact O-N 2.73Å; N206-S209 WeakPolarHBondContact O-CA 3.39Å; N206-S209 VanDerWaalsContact O-CB 3.25Å; N206-S209 WeakPolarHBondContact O-CB 3.35Å; N206-S209 PolarHBondContact O-N 3.27Å; N206-E210 PolarHBondContact O-N 3.15Å
207S90.1Very high90.3Very high3 Ų372 Ų722%0.02139%0.385CS..Hα-helixtrans-61.3-39.9178-173.50000112.5A203 M204 S209 E210 F211A203-S207 PolarHBondContact O-N 2.66Å; M204-S207 PolarHBondContact O-N 3.23Å; S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 2.83Å; S207-E210 PolarHBondContact O-N 3.36Å; S207-F211 WeakPolarHBondContact O-CB 3.23Å; S207-F211 PolarHBondContact O-N 3.26Å
208C92.1Very high89.9Confident51 Ų5170.6 Ų70.635%0.34538%0.379SS..Hα-helixtrans-60.1-37.3171.4-72.70000112.6L153 M204 V205 N206 T212L153-C208 HydrophobicContact CD2-CB 4.41Å; L153-C208 VanDerWaalsContact CD2-SG 3.53Å; M204-C208 PolarHBondContact O-N 2.94Å; M204-C208 PolarHBondContact O-SG 2.82Å; V205-C208 PolarHBondContact O-N 3.02Å; N206-C208 VanDerWaalsContact C-N 3.34Å; N206-C208 PolarHBondContact O-N 2.73Å; C208-T212 VanDerWaalsContact O-CB 3.27Å; C208-T212 WeakPolarHBondContact O-CB 3.49Å; C208-T212 PolarHBondContact O-N 2.83Å; C208-T212 PolarHBondContact O-OG1 3.4Å
209S91.1Very high89.3Confident79 Ų7970.4 Ų70.455%0.55238%0.379SS*.Hα-helixtrans-67.9-46176.9-167.80000111.6V205 N206 S207 T212 H213V205-S209 PolarHBondContact O-N 3.38Å; V205-S209 VanDerWaalsContact O-N 3.07Å; N206-S209 WeakPolarHBondContact O-CA 3.39Å; N206-S209 VanDerWaalsContact O-CB 3.25Å; N206-S209 WeakPolarHBondContact O-CB 3.35Å; N206-S209 PolarHBondContact O-N 3.27Å; S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 2.83Å; S209-T212 PolarHBondContact O-N 3.35Å; S209-H213 WeakPolarHBondContact O-CB 3.2Å; S209-H213 PolarHBondContact O-N 3.43Å
210E88.7Confident88.7Confident109 Ų10969.1 Ų69.151%0.50937%0.371SS..Hα-helixtrans-60.1-49.9176.9-70.7165-165.700111.6N206 S207 T212 H213 F214N206-E210 PolarHBondContact O-N 3.15Å; S207-E210 PolarHBondContact O-N 3.36Å; E210-T212 VanDerWaalsContact C-N 3.31Å; E210-T212 PolarHBondContact O-N 3.09Å; E210-H213 PolarHBondContact O-N 2.99Å; E210-H213 VanDerWaalsContact O-N 3.14Å; E210-F214 WeakPolarHBondContact O-CB 3.44Å; E210-F214 PolarHBondContact O-N 3.33Å
211F92.2Very high88.3Confident57 Ų5772.9 Ų72.925%0.2538%0.383CS..Hα-helixtrans-57.6-42.7174.2174.5-96.9000112L146 H149 V150 L153 S207 H213 F214 T215L146-F211 HydrophobicContact CD1-CD2 4.12Å; L146-F211 HydrophobicContact CD1-CE2 3.49Å; L146-F211 VanDerWaalsContact CD1-CE2 3.49Å; L146-F211 HydrophobicContact CD1-CZ 4.23Å; L146-F211 HydrophobicContact CG-CE2 4.38Å; H149-F211 HydrophobicContact CB-CB 4.37Å; H149-F211 HydrophobicContact CB-CD2 3.8Å; V150-F211 HydrophobicContact CG2-CE2 3.88Å; L153-F211 HydrophobicContact CD1-CB 3.97Å; L153-F211 HydrophobicContact CD1-CD1 4.15Å; L153-F211 HydrophobicContact CD1-CD2 4.03Å; L153-F211 HydrophobicContact CD1-CG 3.79Å; S207-F211 WeakPolarHBondContact O-CB 3.23Å; S207-F211 PolarHBondContact O-N 3.26Å; F211-H213 VanDerWaalsContact C-N 3.33Å; F211-H213 PolarHBondContact O-N 3.3Å; F211-F214 PolarHBondContact O-N 3Å; F211-T215 HydrophobicContact CD1-CG2 4.32Å; F211-T215 HydrophobicContact CD2-CG2 4.18Å; F211-T215 HydrophobicContact CE1-CG2 4Å; F211-T215 HydrophobicContact CE2-CG2 3.88Å; F211-T215 HydrophobicContact CG-CG2 4.41Å; F211-T215 HydrophobicContact CZ-CG2 3.77Å; F211-T215 WeakPolarHBondContact O-CB 3.38Å; F211-T215 VanDerWaalsContact O-CG2 3.31Å; F211-T215 WeakPolarHBondContact O-CG2 3.46Å; F211-T215 PolarHBondContact O-N 3.4Å; F211-T215 PolarHBondContact O-OG1 2.85Å
212T88.3Confident88Confident55 Ų5574.2 Ų74.234%0.33738%0.383SS..Hα-helixtrans-66.6-33.8177.7-60.50000112.3C208 S209 E210 T215 R216C208-T212 VanDerWaalsContact O-CB 3.27Å; C208-T212 WeakPolarHBondContact O-CB 3.49Å; C208-T212 PolarHBondContact O-N 2.83Å; C208-T212 PolarHBondContact O-OG1 3.4Å; S209-T212 PolarHBondContact O-N 3.35Å; E210-T212 VanDerWaalsContact C-N 3.31Å; E210-T212 PolarHBondContact O-N 3.09Å; T212-T215 WeakPolarHBondContact CA-OG1 3.24Å; T212-T215 PolarHBondContact O-OG1 2.86Å; T212-R216 WeakPolarHBondContact O-CB 3.31Å; T212-R216 WeakPolarHBondContact O-CD 3.28Å; T212-R216 WeakPolarHBondContact O-CG 3.43Å; T212-R216 PolarHBondContact O-N 3.45Å
213H88Confident87.4Confident153 Ų15373.4 Ų73.471%0.70838%0.378SS*.Hα-helixtrans-71-49.8175.6-168.7-105.3000111.1S209 E210 F211 R216 G217S209-H213 WeakPolarHBondContact O-CB 3.2Å; S209-H213 PolarHBondContact O-N 3.43Å; E210-H213 PolarHBondContact O-N 2.99Å; E210-H213 VanDerWaalsContact O-N 3.14Å; F211-H213 VanDerWaalsContact C-N 3.33Å; F211-H213 PolarHBondContact O-N 3.3Å; H213-R216 PolarHBondContact O-N 3.43Å; H213-G217 PolarHBondContact O-N 3.03Å
214F90.2Very high87Confident33 Ų3379.8 Ų79.815%0.14540%0.396CS..Hα-helixtrans-58.8-51.4178.7179.6-97.6000112.3A142 K145 L146 H149 E210 F211 R216 G217 Q218A142-F214 WeakPolarHBondContact O-CZ 3.37Å; K145-F214 HydrophobicContact CB-CE1 4.14Å; K145-F214 HydrophobicContact CB-CE2 3.79Å; K145-F214 HydrophobicContact CB-CZ 3.42Å; K145-F214 VanDerWaalsContact CB-CZ 3.42Å; K145-F214 HydrophobicContact CD-CE2 4.13Å; K145-F214 HydrophobicContact CD-CZ 4.43Å; L146-F214 HydrophobicContact CB-CE1 4.12Å; L146-F214 HydrophobicContact CD1-CD1 4.18Å; L146-F214 HydrophobicContact CD1-CE1 4.23Å; H149-F214 AromaticContact CD2-CD1 3.93Å; H149-F214 AromaticContact CD2-CG 3.86Å; H149-F214 AromaticContact NE2-CG 3.81Å; E210-F214 WeakPolarHBondContact O-CB 3.44Å; E210-F214 PolarHBondContact O-N 3.33Å; F211-F214 PolarHBondContact O-N 3Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 2.9Å; F214-G217 PolarHBondContact O-N 3.45Å; F214-G217 VanDerWaalsContact O-N 3.11Å; F214-Q218 HydrophobicContact CD1-CG 4.14Å; F214-Q218 HydrophobicContact CE1-CG 3.61Å; F214-Q218 HydrophobicContact CE2-CG 4.04Å; F214-Q218 HydrophobicContact CZ-CG 3.53Å; F214-Q218 PolarHBondContact O-N 3Å
215T87.3Confident86.4Confident44 Ų4479.6 Ų79.627%0.2740%0.395SS..Hα-helixtrans-59.8-39-179.547.80000113.1L146 F211 T212 Q218 F219L146-T215 HydrophobicContact CD1-CG2 3.46Å; L146-T215 VanDerWaalsContact CD1-CG2 3.46Å; F211-T215 HydrophobicContact CD1-CG2 4.32Å; F211-T215 HydrophobicContact CD2-CG2 4.18Å; F211-T215 HydrophobicContact CE1-CG2 4Å; F211-T215 HydrophobicContact CE2-CG2 3.88Å; F211-T215 HydrophobicContact CG-CG2 4.41Å; F211-T215 HydrophobicContact CZ-CG2 3.77Å; F211-T215 WeakPolarHBondContact O-CB 3.38Å; F211-T215 VanDerWaalsContact O-CG2 3.31Å; F211-T215 WeakPolarHBondContact O-CG2 3.46Å; F211-T215 PolarHBondContact O-N 3.4Å; F211-T215 PolarHBondContact O-OG1 2.85Å; T212-T215 WeakPolarHBondContact CA-OG1 3.24Å; T212-T215 PolarHBondContact O-OG1 2.86Å; T215-Q218 PolarHBondContact O-N 3.06Å; T215-F219 WeakPolarHBondContact O-CB 3.35Å; T215-F219 PolarHBondContact O-N 3.34Å
216R86.3Confident85.9Confident177 Ų17780.2 Ų80.267%0.66839%0.39SS*.Hα-helixtrans-63.8-40.5174.9-75.4173.4-179.7174.53.2112.2T212 H213 F214 V220T212-R216 WeakPolarHBondContact O-CB 3.31Å; T212-R216 WeakPolarHBondContact O-CD 3.28Å; T212-R216 WeakPolarHBondContact O-CG 3.43Å; T212-R216 PolarHBondContact O-N 3.45Å; H213-R216 PolarHBondContact O-N 3.43Å; F214-R216 VanDerWaalsContact C-N 3.33Å; F214-R216 PolarHBondContact O-N 2.9Å; R216-V220 PolarHBondContact O-N 2.7Å
217G83.7Confident85.4Confident44 Ų4479.6 Ų79.645%0.45439%0.387SS..Hα-helixtrans-61.5-49.3174.100000112.3H213 F214 F219 V220 R221H213-G217 PolarHBondContact O-N 3.03Å; F214-G217 PolarHBondContact O-N 3.45Å; F214-G217 VanDerWaalsContact O-N 3.11Å; G217-F219 PolarHBondContact O-N 2.66Å; G217-V220 PolarHBondContact O-N 2.66Å; G217-R221 PolarHBondContact O-N 3.12Å
218Q86.5Confident84.8Confident32 Ų3282.9 Ų82.915%0.1540%0.402CS..Hα-helixtrans-67.2-36.5179.9-56.4-50.3-23.700112.8A142 F214 T215 V220 R221 W222A142-Q218 HydrophobicContact CB-CG 3.95Å; F214-Q218 HydrophobicContact CD1-CG 4.14Å; F214-Q218 HydrophobicContact CE1-CG 3.61Å; F214-Q218 HydrophobicContact CE2-CG 4.04Å; F214-Q218 HydrophobicContact CZ-CG 3.53Å; F214-Q218 PolarHBondContact O-N 3Å; T215-Q218 PolarHBondContact O-N 3.06Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 3.46Å; Q218-R221 PolarHBondContact O-N 3.42Å; Q218-R221 VanDerWaalsContact O-N 3.09Å; Q218-W222 WeakPolarHBondContact O-CB 3.37Å; Q218-W222 VanDerWaalsContact O-CG 3.3Å; Q218-W222 PolarHBondContact O-N 3.24Å
219F79.4Confident84.1Confident136 Ų13683.2 Ų83.260%0.59640%0.398SS*.Hα-helixtrans-54.6-46175.5178.8-89.6000112T215 G217 Q223T215-F219 WeakPolarHBondContact O-CB 3.35Å; T215-F219 PolarHBondContact O-N 3.34Å; G217-F219 PolarHBondContact O-N 2.66Å; F219-Q223 WeakPolarHBondContact O-CB 3.48Å; F219-Q223 PolarHBondContact O-N 2.8Å
220V80.4Confident83.3Confident69 Ų6985.1 Ų85.142%0.41840%0.402SS..Hα-helixtrans-65.6-39.8177.5176.40000111.4R216 G217 Q218 R224R216-V220 PolarHBondContact O-N 2.7Å; G217-V220 PolarHBondContact O-N 2.66Å; Q218-V220 VanDerWaalsContact C-N 3.3Å; Q218-V220 PolarHBondContact O-N 3.46Å; V220-R224 WeakPolarHBondContact O-CG 3.24Å; V220-R224 PolarHBondContact O-N 2.9Å
221R82Confident82.9Confident89 Ų8985.8 Ų85.834%0.33641%0.405SS..Hα-helixtrans-64.4-50177.1-168.1-179.6-167163.77.9111.6F138 G217 Q218 Q223 R224 I225F138-R221 VanDerWaalsContact CE1-NH2 3.34Å; G217-R221 PolarHBondContact O-N 3.12Å; Q218-R221 PolarHBondContact O-N 3.42Å; Q218-R221 VanDerWaalsContact O-N 3.09Å; R221-Q223 PolarHBondContact O-N 3.04Å; R221-R224 WeakPolarHBondContact O-CB 3.46Å; R221-R224 PolarHBondContact O-N 2.83Å; R221-I225 HydrophobicContact CG-CD1 4.3Å; R221-I225 WeakPolarHBondContact O-CG1 3.2Å; R221-I225 PolarHBondContact O-N 2.62Å
222W84.7Confident82.1Confident61 Ų6186.9 Ų86.923%0.23141%0.408CS..Hα-helixtrans-63.5-39.3179.7-68.34.8000111.8I139 A142 L143 Q218 R224 I225 F226I139-W222 HydrophobicContact CG2-CZ2 4.32Å; A142-W222 HydrophobicContact CB-CZ2 4.06Å; L143-W222 HydrophobicContact CD2-CH2 3.83Å; L143-W222 HydrophobicContact CD2-CZ2 4.2Å; L143-W222 HydrophobicContact CG-CH2 4.35Å; L143-W222 HydrophobicContact CG-CZ2 4.24Å; Q218-W222 WeakPolarHBondContact O-CB 3.37Å; Q218-W222 VanDerWaalsContact O-CG 3.3Å; Q218-W222 PolarHBondContact O-N 3.24Å; W222-R224 VanDerWaalsContact C-N 3.28Å; W222-R224 PolarHBondContact O-N 3.18Å; W222-I225 PolarHBondContact O-N 2.82Å; W222-I225 VanDerWaalsContact O-N 3.16Å; W222-F226 HydrophobicContact CB-CD2 4.16Å; W222-F226 HydrophobicContact CB-CE2 3.8Å; W222-F226 HydrophobicContact CE3-CE2 4.48Å; W222-F226 HydrophobicContact CG-CE2 4.46Å; W222-F226 WeakPolarHBondContact O-CD2 3.38Å; W222-F226 WeakPolarHBondContact O-CG 3.37Å; W222-F226 PolarHBondContact O-N 2.9Å
223Q80.1Confident81.5Confident91 Ų9187.5 Ų87.543%0.42541%0.414SS..Hα-helixtrans-58.5-38.2175.5-172.8178.3-2.700112.3F219 R221 N227F219-Q223 WeakPolarHBondContact O-CB 3.48Å; F219-Q223 PolarHBondContact O-N 2.8Å; R221-Q223 PolarHBondContact O-N 3.04Å; Q223-N227 WeakPolarHBondContact O-CB 3.44Å; Q223-N227 PolarHBondContact O-N 2.95Å; Q223-N227 VanDerWaalsContact O-N 3.12Å; Q223-N227 PolarHBondContact O-OD1 3.12Å
224R81.3Confident80.9Confident162 Ų16282.2 Ų82.261%0.61140%0.397SS*.Hα-helixtrans-65.1-47.7174-61.6172.7-163.6171.50.4111.5V220 R221 W222 N227 H228V220-R224 WeakPolarHBondContact O-CG 3.24Å; V220-R224 PolarHBondContact O-N 2.9Å; R221-R224 WeakPolarHBondContact O-CB 3.46Å; R221-R224 PolarHBondContact O-N 2.83Å; W222-R224 VanDerWaalsContact C-N 3.28Å; W222-R224 PolarHBondContact O-N 3.18Å; R224-N227 PolarHBondContact O-N 3.1Å; R224-H228 PolarHBondContact O-N 3.38Å; R224-H228 VanDerWaalsContact O-N 3.07Å
225I80.3Confident80.6Confident30 Ų3085.6 Ų85.615%0.15442%0.416CS..Hα-helixtrans-62.1-48.2-178.1-62.5167.4000110.6I139 R221 W222 H228 Q229I139-I225 HydrophobicContact CD1-CD1 4.43Å; I139-I225 HydrophobicContact CD1-CG2 4.1Å; I139-I225 HydrophobicContact CG1-CD1 4.2Å; R221-I225 HydrophobicContact CG-CD1 4.3Å; R221-I225 WeakPolarHBondContact O-CG1 3.2Å; R221-I225 PolarHBondContact O-N 2.62Å; W222-I225 PolarHBondContact O-N 2.82Å; W222-I225 VanDerWaalsContact O-N 3.16Å; I225-H228 PolarHBondContact O-N 3Å; I225-Q229 WeakPolarHBondContact O-CG 3.1Å; I225-Q229 PolarHBondContact O-N 3.39Å
226F80.5Confident80.2Confident113 Ų11388.1 Ų88.150%0.49643%0.427SS..Hα-helixtrans-67.3-36.8-179.8-63.6-43.5000113.1I139 W222 Q229 N230I139-F226 HydrophobicContact CD1-CE1 4.06Å; I139-F226 HydrophobicContact CD1-CZ 4.23Å; W222-F226 HydrophobicContact CB-CD2 4.16Å; W222-F226 HydrophobicContact CB-CE2 3.8Å; W222-F226 HydrophobicContact CE3-CE2 4.48Å; W222-F226 HydrophobicContact CG-CE2 4.46Å; W222-F226 WeakPolarHBondContact O-CD2 3.38Å; W222-F226 WeakPolarHBondContact O-CG 3.37Å; W222-F226 PolarHBondContact O-N 2.9Å; F226-Q229 PolarHBondContact O-N 3.1Å; F226-N230 VanDerWaalsContact O-CB 3.28Å; F226-N230 WeakPolarHBondContact O-CB 3.38Å; F226-N230 PolarHBondContact O-N 3.35Å
227N80.3Confident79.9Confident84 Ų8486.5 Ų86.545%0.44943%0.427SS..Hα-helixtrans-61.1-48.5173.1-78.35.9000111.2Q223 R224 Q229 N230 E231Q223-N227 WeakPolarHBondContact O-CB 3.44Å; Q223-N227 PolarHBondContact O-N 2.95Å; Q223-N227 VanDerWaalsContact O-N 3.12Å; Q223-N227 PolarHBondContact O-OD1 3.12Å; R224-N227 PolarHBondContact O-N 3.1Å; N227-Q229 VanDerWaalsContact C-N 3.34Å; N227-Q229 PolarHBondContact O-N 3.32Å; N227-N230 PolarHBondContact O-N 3.31Å; N227-E231 WeakPolarHBondContact O-CG 3.27Å; N227-E231 PolarHBondContact O-N 3.35Å
228H77.9Confident79.9Confident71 Ų7190.1 Ų90.133%0.32943%0.432SS..Hα-helixtrans-60.4-41.2179.2-177.564.2000112.6R224 I225 R232R224-H228 PolarHBondContact O-N 3.38Å; R224-H228 VanDerWaalsContact O-N 3.07Å; I225-H228 PolarHBondContact O-N 3Å; H228-R232 WeakPolarHBondContact NE2-CD 3.44Å; H228-R232 WeakPolarHBondContact O-CG 3.38Å; H228-R232 PolarHBondContact O-N 3.19Å; H228-R232 VanDerWaalsContact O-N 3.09Å
229Q76.4Confident79.7Confident59 Ų5993.5 Ų93.528%0.27645%0.449SS..Hα-helixtrans-67.1-40.9175.1-68.3-59.5-19.400112.3D132 I225 F226 N227 E231 R232 C233D132-Q229 PolarHBondContact OD1-NE2 3.2Å; I225-Q229 WeakPolarHBondContact O-CG 3.1Å; I225-Q229 PolarHBondContact O-N 3.39Å; F226-Q229 PolarHBondContact O-N 3.1Å; N227-Q229 VanDerWaalsContact C-N 3.34Å; N227-Q229 PolarHBondContact O-N 3.32Å; Q229-E231 PolarHBondContact O-N 2.92Å; Q229-R232 PolarHBondContact O-N 2.92Å; Q229-C233 PolarHBondContact O-N 3.11Å; Q229-C233 PolarHBondContact O-SG 3.38Å; Q229-C233 VanDerWaalsContact O-SG 3.35Å
230N75.7Confident79.8Confident118 Ų11892.4 Ų92.463%0.63145%0.448SS*.Hα-helixtrans-64.2-39.4178-170.873.8000112.3F226 N227 C233 A234F226-N230 VanDerWaalsContact O-CB 3.28Å; F226-N230 WeakPolarHBondContact O-CB 3.38Å; F226-N230 PolarHBondContact O-N 3.35Å; N227-N230 PolarHBondContact O-N 3.31Å; N230-C233 PolarHBondContact O-N 2.97Å; N230-A234 PolarHBondContact O-N 3.21Å; N230-A234 VanDerWaalsContact O-N 3.08Å
231E79.8Confident79.8Confident123 Ų12394.3 Ų94.358%0.57545%0.452SS*.Hα-helixtrans-61.5-42.3171.8-72.3166.1-172.900111.9N227 Q229 A234 L235N227-E231 WeakPolarHBondContact O-CG 3.27Å; N227-E231 PolarHBondContact O-N 3.35Å; Q229-E231 PolarHBondContact O-N 2.92Å; E231-A234 PolarHBondContact O-N 2.86Å; E231-L235 PolarHBondContact O-N 3.41Å; E231-L235 VanDerWaalsContact O-N 3.09Å
232R75.1Confident79.8Confident80 Ų8095.7 Ų95.730%0.30246%0.463SS..Hα-helixtrans-69-38176.7-74.8179.659.7-177.1-12.9113.3D132 H228 Q229 L235 L236D132-R232 VanDerWaalsContact CG-NH1 3.33Å; D132-R232 VanDerWaalsContact CG-NH2 3.35Å; D132-R232 IonicContact OD1-CZ 2.76Å; D132-R232 IonicContact OD1-NH1 3.41Å; D132-R232 PolarHBondContact OD1-NH1 3.47Å; D132-R232 IonicContact OD1-NH2 2.64Å; D132-R232 PolarHBondContact OD1-NH2 2.8Å; D132-R232 IonicContact OD2-CZ 3.87Å; D132-R232 IonicContact OD2-NH1 2.81Å; D132-R232 PolarHBondContact OD2-NH1 3.47Å; D132-R232 IonicContact OD2-NH2 3.68Å; D132-R232 PolarHBondContact OD2-NH2 3.28Å; H228-R232 WeakPolarHBondContact NE2-CD 3.44Å; H228-R232 WeakPolarHBondContact O-CG 3.38Å; H228-R232 PolarHBondContact O-N 3.19Å; H228-R232 VanDerWaalsContact O-N 3.09Å; Q229-R232 PolarHBondContact O-N 2.92Å; R232-L235 PolarHBondContact O-N 3.06Å; R232-L236 WeakPolarHBondContact O-CG 3.39Å; R232-L236 PolarHBondContact O-N 3.35Å
233C75.8Confident79.8Confident69 Ų6997.8 Ų97.847%0.46648%0.478SS..Hα-helixtrans-61.2-46.2172.7-71.30000111.3Q229 N230 L235 L236 E237Q229-C233 PolarHBondContact O-N 3.11Å; Q229-C233 PolarHBondContact O-SG 3.38Å; Q229-C233 VanDerWaalsContact O-SG 3.35Å; N230-C233 PolarHBondContact O-N 2.97Å; C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.1Å; C233-L236 PolarHBondContact O-N 2.79Å; C233-L236 VanDerWaalsContact O-N 3.16Å; C233-E237 PolarHBondContact O-N 3.03Å
234A75.8Confident79.7Confident42 Ų4296.2 Ų96.235%0.34748%0.48SS..Hα-helixtrans-61.7-37.5177.400000112.8N230 E231 Q238N230-A234 PolarHBondContact O-N 3.21Å; N230-A234 VanDerWaalsContact O-N 3.08Å; E231-A234 PolarHBondContact O-N 2.86Å; A234-Q238 WeakPolarHBondContact O-CG 3.18Å; A234-Q238 PolarHBondContact O-N 3.07Å; A234-Q238 VanDerWaalsContact O-N 3.17Å
235L82.7Confident79.8Confident104 Ų10493.5 Ų93.555%0.54547%0.473SS..Hα-helixtrans-62.6-45.8173.1-168.289.2000111.7E231 R232 C233 Q238 M239E231-L235 PolarHBondContact O-N 3.41Å; E231-L235 VanDerWaalsContact O-N 3.09Å; R232-L235 PolarHBondContact O-N 3.06Å; C233-L235 VanDerWaalsContact C-N 3.32Å; C233-L235 PolarHBondContact O-N 3.1Å; L235-Q238 PolarHBondContact O-N 3.13Å; L235-M239 WeakPolarHBondContact O-CG 3.24Å; L235-M239 PolarHBondContact O-N 2.91Å
236L80.4Confident80Confident96 Ų9697.5 Ų97.550%0.50349%0.491SS..Hα-helixtrans-65.7-39.9179.4-72.7170.2000112.2R232 C233 Q238 M239 I240R232-L236 WeakPolarHBondContact O-CG 3.39Å; R232-L236 PolarHBondContact O-N 3.35Å; C233-L236 PolarHBondContact O-N 2.79Å; C233-L236 VanDerWaalsContact O-N 3.16Å; L236-Q238 PolarHBondContact O-N 3.21Å; L236-M239 PolarHBondContact O-N 3.3Å; L236-I240 VanDerWaalsContact O-CG1 3.29Å; L236-I240 WeakPolarHBondContact O-CG1 3.16Å; L236-I240 PolarHBondContact O-N 2.68Å
237E78.5Confident80.1Confident143 Ų14396 Ų9667%0.66849%0.488SS*.Hα-helixtrans-59.8-44.7173.6-73.9-173.6156.500111.5C233 M239 I240 E241C233-E237 PolarHBondContact O-N 3.03Å; E237-M239 PolarHBondContact O-N 2.93Å; E237-I240 PolarHBondContact O-N 2.86Å; E237-E241 WeakPolarHBondContact O-CB 3.39Å; E237-E241 PolarHBondContact O-N 2.9Å
238Q83.5Confident80.1Confident120 Ų120100.8 Ų100.856%0.56150%0.499SS*.Hα-helixtrans-62.6-40.3175.6-71.3179.514.400112.6A234 L235 L236 E241 Q242A234-Q238 WeakPolarHBondContact O-CG 3.18Å; A234-Q238 PolarHBondContact O-N 3.07Å; A234-Q238 VanDerWaalsContact O-N 3.17Å; L235-Q238 PolarHBondContact O-N 3.13Å; L236-Q238 PolarHBondContact O-N 3.21Å; Q238-E241 PolarHBondContact O-N 3.2Å; Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.34Å
239M82.5Confident80.3Confident103 Ų103103.3 Ų103.351%0.50751%0.512SS..Hα-helixtrans-64.9-42.4175.7-71.9179.273.900112.1L235 L236 E237 Q242 L243L235-M239 WeakPolarHBondContact O-CG 3.24Å; L235-M239 PolarHBondContact O-N 2.91Å; L236-M239 PolarHBondContact O-N 3.3Å; E237-M239 PolarHBondContact O-N 2.93Å; M239-Q242 PolarHBondContact O-N 3.07Å; M239-L243 WeakPolarHBondContact O-CB 3.16Å; M239-L243 WeakPolarHBondContact O-CG 3.05Å; M239-L243 PolarHBondContact O-N 2.99Å
240I81.2Confident80.5Confident114 Ų114105.6 Ų105.659%0.58553%0.525SS*.Hα-helixtrans-64.6-40.9176.3-69.4165.5000110.6L236 E237 Q242 L243 A244L236-I240 VanDerWaalsContact O-CG1 3.29Å; L236-I240 WeakPolarHBondContact O-CG1 3.16Å; L236-I240 PolarHBondContact O-N 2.68Å; E237-I240 PolarHBondContact O-N 2.86Å; I240-Q242 PolarHBondContact O-N 3.15Å; I240-L243 PolarHBondContact O-N 2.86Å; I240-A244 WeakPolarHBondContact O-CB 3.23Å; I240-A244 PolarHBondContact O-N 3.48Å
241E80.8Confident80.5Confident108 Ų108104.6 Ų104.651%0.50552%0.517SS..Hα-helixtrans-64.8-39.5177-155.4-150.8171.800111.9E237 Q238 A244 K245E237-E241 WeakPolarHBondContact O-CB 3.39Å; E237-E241 PolarHBondContact O-N 2.9Å; Q238-E241 PolarHBondContact O-N 3.2Å; E241-A244 PolarHBondContact O-N 3.19Å; E241-K245 WeakPolarHBondContact O-CB 3.34Å; E241-K245 WeakPolarHBondContact O-CD 3.41Å; E241-K245 VanDerWaalsContact O-CG 3.26Å; E241-K245 WeakPolarHBondContact O-CG 3.45Å; E241-K245 PolarHBondContact O-N 2.85Å; E241-K245 WeakPolarHBondContact OE1-CE 3.31Å; E241-K245 IonicContact OE1-NZ 3.6Å; E241-K245 PolarHBondContact OE1-NZ 3.25Å; E241-K245 IonicContact OE2-NZ 3.53Å; E241-K245 PolarHBondContact OE2-NZ 2.83Å
242Q83.4Confident80.4Confident118 Ų118101.9 Ų101.955%0.55151%0.51SS*.Hα-helixtrans-64.9-44.3173.3-74-174.514.900112.3Q238 M239 I240 A244 K245 Q246Q238-Q242 WeakPolarHBondContact O-CG 3.44Å; Q238-Q242 PolarHBondContact O-N 3.34Å; M239-Q242 PolarHBondContact O-N 3.07Å; I240-Q242 PolarHBondContact O-N 3.15Å; Q242-A244 PolarHBondContact O-N 3.3Å; Q242-K245 WeakPolarHBondContact O-CB 3.39Å; Q242-K245 PolarHBondContact O-N 2.99Å; Q242-Q246 WeakPolarHBondContact O-CG 3.49Å; Q242-Q246 PolarHBondContact O-N 2.78Å
243L83.7Confident80.6Confident106 Ų106102.4 Ų102.456%0.55552%0.519SS*.Hα-helixtrans-62.1-41.1175.9-75.2167.6000111.8M239 I240 Q246 L247M239-L243 WeakPolarHBondContact O-CB 3.16Å; M239-L243 WeakPolarHBondContact O-CG 3.05Å; M239-L243 PolarHBondContact O-N 2.99Å; I240-L243 PolarHBondContact O-N 2.86Å; L243-Q246 PolarHBondContact O-N 2.69Å; L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 PolarHBondContact O-N 2.83Å
244A78.1Confident80.6Confident57 Ų57102.7 Ų102.747%0.47152%0.518SS..Hα-helixtrans-64.9-39.7175.400000112.3I240 E241 Q242 L247 R248I240-A244 WeakPolarHBondContact O-CB 3.23Å; I240-A244 PolarHBondContact O-N 3.48Å; E241-A244 PolarHBondContact O-N 3.19Å; Q242-A244 PolarHBondContact O-N 3.3Å; A244-L247 PolarHBondContact O-N 3.34Å; A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 PolarHBondContact O-N 3.5Å
245K83.6Confident80.4Confident105 Ų105109.7 Ų109.746%0.45754%0.536SS..Hα-helixtrans-61.4-44.9172.7-75.5163.9-179.2166.80111.5E241 Q242 R248 Q249E241-K245 WeakPolarHBondContact O-CB 3.34Å; E241-K245 WeakPolarHBondContact O-CD 3.41Å; E241-K245 VanDerWaalsContact O-CG 3.26Å; E241-K245 WeakPolarHBondContact O-CG 3.45Å; E241-K245 PolarHBondContact O-N 2.85Å; E241-K245 WeakPolarHBondContact OE1-CE 3.31Å; E241-K245 IonicContact OE1-NZ 3.6Å; E241-K245 PolarHBondContact OE1-NZ 3.25Å; E241-K245 IonicContact OE2-NZ 3.53Å; E241-K245 PolarHBondContact OE2-NZ 2.83Å; Q242-K245 WeakPolarHBondContact O-CB 3.39Å; Q242-K245 PolarHBondContact O-N 2.99Å; K245-R248 PolarHBondContact O-N 3.37Å; K245-Q249 WeakPolarHBondContact O-CG 3.35Å; K245-Q249 PolarHBondContact O-N 3.11Å
246Q84.1Confident80Confident114 Ų114111.7 Ų111.753%0.53354%0.542SS..Hα-helixtrans-65.2-44.5176.7-73.5175.8-15.300112.6Q242 L243 R248 Q249 L250Q242-Q246 WeakPolarHBondContact O-CG 3.49Å; Q242-Q246 PolarHBondContact O-N 2.78Å; L243-Q246 PolarHBondContact O-N 2.69Å; Q246-R248 VanDerWaalsContact C-N 3.32Å; Q246-R248 PolarHBondContact O-N 3.49Å; Q246-Q249 PolarHBondContact O-N 2.9Å; Q246-L250 PolarHBondContact O-N 3.46Å
247L81.9Confident79.6Confident81 Ų81113.4 Ų113.442%0.42455%0.552SS.*Hα-helixtrans-60-44.1177.6-163.482000110.9L243 A244 Q249 L250 E251 P284L243-L247 WeakPolarHBondContact O-CB 3.49Å; L243-L247 PolarHBondContact O-N 2.83Å; A244-L247 PolarHBondContact O-N 3.34Å; L247-Q249 PolarHBondContact O-N 2.93Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-L250 VanDerWaalsContact O-N 3.15Å; L247-E251 PolarHBondContact O-N 3.09Å; L247-P284 HydrophobicContact CD1-CB 4.46Å; L247-P284 HydrophobicContact CD1-CG 4.48Å
248R80.3Confident78.8Confident185 Ų185110.5 Ų110.570%0.69854%0.541SS*.Hα-helixtrans-65.9-37.5178.4-159174.9-155.7167.87.2112.7A244 K245 Q246 L250 C252A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 PolarHBondContact O-N 3.5Å; K245-R248 PolarHBondContact O-N 3.37Å; Q246-R248 VanDerWaalsContact C-N 3.32Å; Q246-R248 PolarHBondContact O-N 3.49Å; R248-L250 VanDerWaalsContact C-N 3.35Å; R248-C252 PolarHBondContact O-N 2.81Å; R248-C252 PolarHBondContact O-SG 3.27Å; R248-C252 VanDerWaalsContact O-SG 3.35Å
249Q82.4Confident77.5Confident125 Ų125110.3 Ų110.358%0.58455%0.55SS**Hα-helixtrans-61.6-43.3170.9-74.8173.2-17.300111.3K245 Q246 L247 C252 L253K245-Q249 WeakPolarHBondContact O-CG 3.35Å; K245-Q249 PolarHBondContact O-N 3.11Å; Q246-Q249 PolarHBondContact O-N 2.9Å; L247-Q249 PolarHBondContact O-N 2.93Å; Q249-C252 PolarHBondContact O-N 3.11Å; Q249-L253 WeakPolarHBondContact O-CG 3.47Å; Q249-L253 PolarHBondContact O-N 2.89Å
250L80.8Confident76.1Confident107 Ų107113.7 Ų113.756%0.5657%0.565SS**Hα-helixtrans-66-40.1178.8-164.871.5000112.6Q246 L247 R248 L253 T254Q246-L250 PolarHBondContact O-N 3.46Å; L247-L250 WeakPolarHBondContact O-CB 3.47Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-L250 VanDerWaalsContact O-N 3.15Å; R248-L250 VanDerWaalsContact C-N 3.35Å; L250-L253 PolarHBondContact O-N 2.72Å; L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 2.78Å; L250-T254 PolarHBondContact O-OG1 2.92Å
251E75.9Confident74.6Confident97 Ų97111.1 Ų111.145%0.45356%0.557SS.*Hα-helixtrans-60.9-46.3172.1-75.2-176.3-176.300112.1L247 T254 R255L247-E251 PolarHBondContact O-N 3.09Å; E251-T254 PolarHBondContact O-N 2.86Å; E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.74Å
252C78.5Confident72.8Confident66 Ų66111.9 Ų111.945%0.44657%0.569SS.*Hα-helixtrans-60.7-45.2176.5-74.10000111.8R248 Q249 T254 R255 Q256R248-C252 PolarHBondContact O-N 2.81Å; R248-C252 PolarHBondContact O-SG 3.27Å; R248-C252 VanDerWaalsContact O-SG 3.35Å; Q249-C252 PolarHBondContact O-N 3.11Å; C252-T254 VanDerWaalsContact C-N 3.31Å; C252-T254 PolarHBondContact O-N 2.78Å; C252-R255 PolarHBondContact O-N 2.74Å; C252-Q256 WeakPolarHBondContact O-CB 3.5Å; C252-Q256 WeakPolarHBondContact O-CG 3.14Å; C252-Q256 PolarHBondContact O-N 3.36Å
253L79.6Confident71Confident90 Ų90112 Ų11247%0.47158%0.577SS.*Hα-helixtrans-64.1-35.3176.5-71.5168.8000112.2Q249 L250 N257Q249-L253 WeakPolarHBondContact O-CG 3.47Å; Q249-L253 PolarHBondContact O-N 2.89Å; L250-L253 PolarHBondContact O-N 2.72Å; L253-N257 WeakPolarHBondContact O-CB 3.44Å; L253-N257 PolarHBondContact O-N 3.16Å; L253-N257 PolarHBondContact O-ND2 2.91Å
254T75.4Confident68.8Low75 Ų75113.1 Ų113.146%0.4659%0.589SS.*Hα-helixtrans-70.5-43.9177.6-58.10000111L250 E251 C252 Q256 N257 N258L250-T254 WeakPolarHBondContact O-CB 3.45Å; L250-T254 PolarHBondContact O-N 2.78Å; L250-T254 PolarHBondContact O-OG1 2.92Å; E251-T254 PolarHBondContact O-N 2.86Å; C252-T254 VanDerWaalsContact C-N 3.31Å; C252-T254 PolarHBondContact O-N 2.78Å; T254-Q256 VanDerWaalsContact C-N 3.31Å; T254-Q256 PolarHBondContact O-N 3.44Å; T254-N257 PolarHBondContact O-N 3.39Å; T254-N258 PolarHBondContact O-N 3.3Å
255R71.9Confident66.8Low190 Ų190118.3 Ų118.372%0.71761%0.608SS**Hα-helixtrans-62.8-35.1174.8-70.9175.4-174.1-107.84.6112.8E251 C252E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.74Å; C252-R255 PolarHBondContact O-N 2.74Å
256Q74.2Confident64.6Low145 Ų145116.7 Ų116.768%0.67862%0.622SS**Hα-helixtrans-71.6-39.7176.1-75.1173.7-6.500112.7C252 T254C252-Q256 WeakPolarHBondContact O-CB 3.5Å; C252-Q256 WeakPolarHBondContact O-CG 3.14Å; C252-Q256 PolarHBondContact O-N 3.36Å; T254-Q256 VanDerWaalsContact C-N 3.31Å; T254-Q256 PolarHBondContact O-N 3.44Å
257N72Confident62.1Low133 Ų133117.9 Ų117.971%0.71164%0.642SS**Hα-helixtrans-89.1-14.4-175.9-69.8-60.1000114.4L253 T254L253-N257 WeakPolarHBondContact O-CB 3.44Å; L253-N257 PolarHBondContact O-N 3.16Å; L253-N257 PolarHBondContact O-ND2 2.91Å; T254-N257 PolarHBondContact O-N 3.39Å
258N60.2Low60Low81 Ų81117.6 Ų117.643%0.43366%0.659SS.*  trans-141.381.9177.1-167.4-11.1000112.6T254 Q260 S261T254-N258 PolarHBondContact O-N 3.3Å; N258-Q260 PolarHBondContact O-N 3.01Å; N258-Q260 PolarHBondContact OD1-N 2.81Å; N258-S261 PolarHBondContact O-OG 2.85Å; N258-S261 PolarHBondContact OD1-N 2.84Å
259P57Low57.7Low116 Ų116113 Ų11375%0.75367%0.669SS**THydrogen-bonded Turntrans-71.45.6-179.729.7-36.1000114.9
260Q54Low55.5Low174 Ų174111 Ų11181%0.81368%0.681SS**THydrogen-bonded Turntrans-114.4-2.7179.4-68.2-169-14.600114.6N258 T262N258-Q260 PolarHBondContact O-N 3.01Å; N258-Q260 PolarHBondContact OD1-N 2.81Å; Q260-T262 VanDerWaalsContact C-N 3.27Å; Q260-T262 PolarHBondContact O-N 2.92Å
261S49.2Very low53.3Low61 Ų61112.2 Ų112.243%0.42769%0.694SS.*  trans-81.560.9-177.267.40000114.2N258 V263N258-S261 PolarHBondContact O-OG 2.85Å; N258-S261 PolarHBondContact OD1-N 2.84Å; S261-V263 PolarHBondContact O-N 2.85Å
262T42.8Very low51.5Low123 Ų123114 Ų11476%0.75571%0.711SS**  trans-86.9100.3170-58.20000109.5Q260 T264Q260-T262 VanDerWaalsContact C-N 3.27Å; Q260-T262 PolarHBondContact O-N 2.92Å; T262-T264 PolarHBondContact O-N 2.82Å
263V44.5Very low49.4Very low120 Ų120115.6 Ų115.673%0.72772%0.723SS**  trans-82.5100.8-175.8-173.90000111.2S261 L265S261-V263 PolarHBondContact O-N 2.85Å; V263-L265 HydrophobicContact CG1-CD1 3.99Å
264T38Very low47.4Very low130 Ų130116 Ų11680%0.79873%0.733SS**  trans-79.1114.6164.930.20000110.7T262 G266T262-T264 PolarHBondContact O-N 2.82Å; T264-G266 PolarHBondContact O-N 2.95Å
265L36Very low45.4Very low166 Ų166117.2 Ų117.287%0.86975%0.745SS**  trans-83.299.3164.8-88.991.1000109.9V263V263-L265 HydrophobicContact CG1-CD1 3.99Å
266G36.9Very low43.6Very low72 Ų72116.1 Ų116.174%0.74275%0.753SS**  trans-91.2155.1164.700000111.9T264T264-G266 PolarHBondContact O-N 2.95Å
267S32.7Very low41.5Very low139 Ų139116.5 Ų116.597%0.97276%0.759SS**  trans-77.8146-180-171.80000112.9
268G36.6Very low39.8Very low75 Ų75118 Ų11877%0.77377%0.766SS**  trans164.6122.6172.100000113.1
269G32.7Very low38.4Very low88 Ų88124 Ų12491%0.90779%0.787SS**  trans-104.1155.8175.700000113
270G36.1Very low37.1Very low82 Ų82123.4 Ų123.485%0.84579%0.787SS**  trans-179.391.8-178.200000114.3
271T35.7Very low36Very low133 Ų133121.3 Ų121.382%0.81679%0.785SS**  trans-52.7141.2-177.44.60000118.3
272V36.8Very low35.1Very low134 Ų134123.6 Ų123.681%0.81280%0.801SS**  trans52.8148.1156.6-91.60000119.8
273S36Very low34.7Very low101 Ų101129.2 Ų129.271%0.70681%0.809SS**  cis-161.2167.326.3-142.20000115.9
274S36.1Very low34.3Very low98 Ų98128.6 Ų128.669%0.68581%0.807SS**  trans55.1109.3151.861.90000122.9
275S33.3Very low33.9Very low101 Ų101131.2 Ų131.271%0.70682%0.815SS**  trans59116.8130.767.40000122.3
276L35.1Very low33.7Very low167 Ų167126.9 Ų126.987%0.87481%0.811SS**  -174.5165.295.5-97.7168.6000113
277N30.1Very low33.7Very low152 Ų152132.2 Ų132.281%0.81382%0.816SS**  trans-66.2139.6-175.7-74.6-57.4000114.6
278I35.8Very low33.7Very low166 Ų166130.7 Ų130.785%0.85181%0.812SS**  trans-154.3150.2143.8-101.3146.3000109.3
279K30.2Very low33.6Very low205 Ų205133.5 Ų133.589%0.89181%0.814SS**  trans-97125.5-175.5-55.3168.5-179175.20111.5
280S30.5Very low33.6Very low105 Ų105140 Ų14073%0.73481%0.811SS**  trans-176.6134146.643.50000115.8
281V30.5Very low33.5Very low130 Ų130142.5 Ų142.579%0.78881%0.81SS**  trans55.3100.8132.6-175.80000120.1
282S30Very low33.4Very low108 Ų108143.7 Ų143.776%0.75581%0.806SS**  trans50128143.169.10000122.6
283R34.2Very low33.4Very low242 Ų242146.4 Ų146.491%0.91381%0.809SS**  trans-124.5151.6143.7-79.5-175.8168.8-168.9-3.6109.5
284P36.5Very low33.2Very low106 Ų106148.2 Ų148.269%0.68881%0.81SS**  trans-72143.8-179.3-14.129.6000112.3L247L247-P284 HydrophobicContact CD1-CB 4.46Å; L247-P284 HydrophobicContact CD1-CG 4.48Å
285L30.7Very low33.2Very low185 Ų185148.7 Ų148.797%0.96981%0.811SS**  trans-89123.2171.3-154.774.7000108.9
286G32Very low33.2Very low76 Ų76152.8 Ų152.878%0.78482%0.819SS**  trans-149.734.6-164.700000115.2
287Q35.8Very low33.1Very low183 Ų183150.9 Ų150.986%0.85581%0.814SS**  trans-129.2121.6171.2-77.1-177.7-31.300109.9V289Q287-V289 PolarHBondContact O-N 2.83Å
288A33.7Very low33.4Very low108 Ų108152.6 Ų152.689%0.89382%0.817SS**  trans-74.7115.9169.300000108.8R290A288-R290 PolarHBondContact O-N 3.46Å
289V33.1Very low33.2Very low133 Ų133149.2 Ų149.281%0.80682%0.815SS**  trans-70.6121.8179.2177.30000109.4Q287 V291Q287-V289 PolarHBondContact O-N 2.83Å; V289-V291 PolarHBondContact O-N 3.24Å
290R33.2Very low33.5Very low226 Ų226148.4 Ų148.485%0.85381%0.813SS**  trans-70.1107.3172.7-176.7179.6-173.11692.2108.8A288 Q292A288-R290 PolarHBondContact O-N 3.46Å; R290-Q292 PolarHBondContact O-N 3.48Å; R290-Q292 VanDerWaalsContact O-N 3.14Å
291V33.9Very low33.6Very low134 Ų134149 Ų14981%0.81282%0.815SS**  trans-59.9117172.2-179.50000108.6V289V289-V291 PolarHBondContact O-N 3.24Å
292Q34Very low33.9Very low158 Ų158151 Ų15174%0.73882%0.816SS**  trans-82.7127.3168.4-70.6177.5-40.300108.3R290 L294R290-Q292 PolarHBondContact O-N 3.48Å; R290-Q292 VanDerWaalsContact O-N 3.14Å; Q292-L294 PolarHBondContact O-N 2.9Å
293H35.9Very low34.1Very low190 Ų190153.7 Ų153.788%0.8882%0.816SS**  trans-68.3112.5159.2-91.6-56.7000107.9
294L33.4Very low34.2Very low139 Ų139150 Ų15073%0.72881%0.809SS**PPolyproline II helixtrans-68.9142.7156.7-89.368.1000108.4Q292Q292-L294 PolarHBondContact O-N 2.9Å
295P35.5Very low34Very low109 Ų109151.2 Ų151.271%0.70881%0.81SS**PPolyproline II helixtrans-67.7140.2162.830.5-32.8000109.4T297P295-T297 PolarHBondContact O-N 2.87Å
296H33Very low34.1Very low187 Ų187149.1 Ų149.187%0.86681%0.805SS**PPolyproline II helixtrans-73.6117164.8-82-87.2000108.8
297T34.2Very low34Very low127 Ų127151.8 Ų151.878%0.77981%0.806SS**  trans-105.1122.2164.5-510000107.6P295P295-T297 PolarHBondContact O-N 2.87Å
298E34.6Very low33.9Very low187 Ų187149.1 Ų149.187%0.87481%0.807SS**  trans-70.6141.5177.5-61.6-179131.900110.9
299A32.6Very low33.9Very low96 Ų96148.8 Ų148.879%0.79380%0.799SS**  trans-123.3109.1-179.500000110.6
300H36.3Very low34Very low187 Ų187149.6 Ų149.687%0.86680%0.798SS**  trans-76.7132.5166.4-79.8-72.4000110.4
301P33.4Very low34.1Very low118 Ų118144.8 Ų144.877%0.76679%0.789SS**  trans-93.1123.5171.233.3-29.2000111.3
302Q36Very low34.1Very low172 Ų172145.1 Ų145.180%0.80479%0.785SS**  trans-157.3108.4151.1-124.3174-17.300114.2
303E35.3Very low34.2Very low164 Ų164141.6 Ų141.677%0.76678%0.782SS**  trans52.5135.1133.4-65.1177.3136.100124
304E35.3Very low34.2Very low165 Ų165140.7 Ų140.777%0.77178%0.778SS**  trans75.1111.3154.8-57.7-140.6137.600123.1
305N31.5Very low34.3Very low131 Ų131140.2 Ų140.270%0.70178%0.776SS**  49.2119.6124.6-51.1-41.6000118.8
306V33.8Very low34.1Very low141 Ų141140.5 Ų140.586%0.85578%0.777SS**  -164.7155.365.71580000110.9
307T30Very low34.2Very low133 Ų133136.9 Ų136.982%0.81677%0.768SS**  trans-81.8140.2-179.3540000116.1
308S34.1Very low34Very low126 Ų126136.8 Ų136.888%0.88177%0.767SS**  trans-154.4168136.363.20000110.5
309S33Very low33.9Very low102 Ų102132.4 Ų132.471%0.71376%0.757SS**  trans-134.3179.9-160.655.30000113.8
310L35.2Very low33.9Very low150 Ų150135.3 Ų135.379%0.78576%0.759SS**  trans89.9144.2170.4-52.3158.5000116.6
311D35.2Very low33.7Very low124 Ų124132.4 Ų132.466%0.66376%0.755SS**  cis-166.8150.5-40.4-122.4-14.3000112.1
312I35Very low33.5Very low141 Ų141131.9 Ų131.972%0.72375%0.754SS**  trans61.5127.2144-66.2162.6000121.7
313A35.2Very low33.3Very low84 Ų84131.9 Ų131.969%0.69475%0.751SS**  trans72.1155148.400000122.1
314H35.6Very low33Very low171 Ų171130.9 Ų130.979%0.79275%0.746SS**  cis-169.3167.7-40.7-128.1-89.9000109.6
315D35Very low32.9Very low129 Ų129134.5 Ų134.569%0.6975%0.754SS**  trans70116.6153-74.97.3000123.4
316T32.3Very low32.7Very low116 Ų116132.5 Ų132.571%0.71275%0.751SS**  44.6145124.114.30000121.7
317T34.3Very low32.6Very low111 Ų111132.2 Ų132.268%0.68174%0.744SS**  cis-163.2146.428.9-220000113.3
318T30.6Very low32.6Very low124 Ų124133.7 Ų133.776%0.76175%0.746SS**  trans48.1150.4145.745.30000126
319S33.2Very low32.4Very low96 Ų96133.1 Ų133.167%0.67174%0.74SS**  trans88.1101.3144.570.60000122.3
320D30.6Very low32.4Very low156 Ų156132.3 Ų132.383%0.83474%0.74SS**  71.2161127.2-66-50.7000123.8
321V32.6Very low32.4Very low127 Ų127131.4 Ų131.477%0.7774%0.736SS**  trans80.881.5165.3-162.20000118.2
322S29.2Very low32.4Very low106 Ų106133.3 Ų133.374%0.74174%0.738SS**  64.5140.4120.6-54.30000123.2
323K32.6Very low32.3Very low173 Ų173131.3 Ų131.375%0.75274%0.737SS**  trans81.7132.2153.7-77.1174.4152.4-112.40120.1
324E28.7Very low32.2Very low142 Ų142135.3 Ų135.366%0.66475%0.746SS**  trans48.3105.8136.4-59.1170117.300118.2
325Y32.5Very low31.9Very low241 Ų241136.9 Ų136.995%0.94575%0.75SS**  -158152122.8-97-63.4000111.3
326S29Very low31.9Very low89 Ų89135.7 Ų135.762%0.62276%0.758SS**  trans-112.8166.5-176.251.30000112.9
327N30.8Very low31.8Very low135 Ų135135.3 Ų135.372%0.72276%0.76SS**  trans100.8151.6158.5-49.5-61.5000119.1
328I31Very low31.8Very low165 Ų165139.1 Ų139.185%0.84677%0.771SS**  trans73.5132.9163.7-57.9141.1000114.3
329C29.9Very low31.8Very low113 Ų113142.2 Ų142.276%0.76477%0.773SS**  cis-138.5147.1-4.9-120.50000106.5
330A31.6Very low31.6Very low86 Ų86145.1 Ų145.171%0.71178%0.776SS**  cis8589.932.900000115.8
331D34.8Very low31.7Very low131 Ų131145.9 Ų145.970%0.70178%0.779SS**  trans-172.3149.2155.8-113.48.8000109
332K35.3Very low31.7Very low163 Ų163146.5 Ų146.571%0.70978%0.776SS**  cis-156.8137.6-11.9-144.8173.1-152.486.80111.3
333S32.7Very low31.6Very low100 Ų100146.1 Ų146.170%0.69977%0.773SS**  trans42.5117.8148.2-179.30000122
334L34Very low31.5Very low168 Ų168146 Ų14688%0.8878%0.78SS**  -156.3139.4106.8-106.2165.3000111.1
335K28.9Very low31.5Very low203 Ų203147.3 Ų147.388%0.88379%0.786SS**  trans-129.5143.6-179.9-76.7-176.8176.6178.90110.8
336A35.3Very low31.4Very low104 Ų104141.1 Ų141.186%0.8678%0.778SS**  trans-143.8150.115400000108.2
337S29.5Very low31.4Very low108 Ų108142 Ų14276%0.75578%0.784SS**  trans-163.2125.6-167.758.90000115
338E34.4Very low31.4Very low192 Ų192140 Ų14090%0.89779%0.786SS**  trans-161.7123.1159.3-102.9150.7-164.500105.5
339K32.2Very low31.5Very low188 Ų188140.9 Ų140.982%0.81779%0.786SS**  cis82.6102.442.7-77.7-158.4170.7-172.50115.9
340H29.1Very low31.6Very low157 Ų157143.9 Ų143.973%0.72779%0.789SS**  trans54.8125.5152-76.2-87.5000120.5
341I31.4Very low31.7Very low173 Ų173149.5 Ų149.589%0.88780%0.798SS**  -154168.2116.1-102.8155.1000108.5
342I31.9Very low31.6Very low140 Ų140148.7 Ų148.772%0.71880%0.799SS**  trans-121.4145.7-160.1-67.6162.6000111.4
343S27.6Very low31.6Very low98 Ų98149.2 Ų149.269%0.68580%0.804SS**  trans66.2123.4163.4-169.20000118.9
344L31.6Very low31.6Very low170 Ų170150.2 Ų150.289%0.8981%0.811SS**  -165.4162.8116.7-104.1162.6000110.6
345E28.7Very low31.4Very low170 Ų170153.7 Ų153.779%0.79481%0.813SS**  trans-102.4163.6-168.6-61.8175111.100114.2
346S29Very low31.7Very low110 Ų110152.9 Ų152.977%0.76981%0.812SS**  trans80.6168.8152.186.70000119.9
347S30Very low31.5Very low107 Ų107156.6 Ų156.675%0.74881%0.809SS**  trans78.8108165.2-550000117.2
348A30.6Very low31.9Very low93 Ų93159.7 Ų159.777%0.76982%0.815SS**  trans-87.1153.4170.900000111.5
349H32.7Very low31.8Very low184 Ų184156.8 Ų156.885%0.85280%0.802SS**  trans-121.9114.5167-89.6-75.7000111.4
350H33.1Very low31.8Very low176 Ų176154.7 Ų154.782%0.81580%0.795SS**PPolyproline II helixtrans-67.2150.5159.6-80.815.2000110.4
351F32.8Very low32.2Very low205 Ų205155 Ų15590%0.89980%0.796SS**PPolyproline II helixtrans-79.1140.7153.7-96.4-98.4000109.5
352P33Very low32.3Very low113 Ų113151.6 Ų151.673%0.73479%0.788SS**PPolyproline II helixtrans-88.5148.6-159.433.4-36.6000114.6
353Q34Very low32.4Very low174 Ų174149.2 Ų149.281%0.81378%0.784SS**PPolyproline II helixtrans-86.9128.6152-71.3-173.9-1600108.7
354S34.1Very low32.9Very low121 Ų121152.6 Ų152.685%0.84679%0.789SS**PPolyproline II helixtrans-89.5122.3177.441.50000111.4
355R30.4Very low33.2Very low241 Ų241151.2 Ų151.291%0.90978%0.778SS**  trans-157.685.2172.2-150.3-179.3-162.9-1574.7113.4
356E34.6Very low33.5Very low186 Ų186148.5 Ų148.587%0.86977%0.769SS**  trans-119.2118.8163.5-69.2-172.2140.200107.7
357F31.3Very low33.9Very low182 Ų182150.1 Ų150.180%0.79876%0.764SS**  66.988.986.8-93.6-77.2000114.2
358I37.1Very low34.3Very low173 Ų173151.4 Ų151.489%0.88776%0.762SS**  trans-117.6142.9150-65.1179.4000106.5
359Q32.9Very low34.6Very low132 Ų132153.5 Ų153.562%0.61777%0.766SS**  trans-136.2149.6-165.4-147.8-166.541.600110.9
360Q33Very low34.9Very low143 Ų143149.1 Ų149.167%0.66876%0.756SS**  trans67.9120.8167.7-44.4178.832.800114.7
361H36.7Very low35.2Very low163 Ų163148 Ų14876%0.75576%0.756SS**  -172.8145.877.6-105.1-89.5000112.6
362S33.3Very low35.6Very low102 Ų102146.5 Ų146.571%0.71376%0.757SS**  trans50.5151150.155.20000122.4
363S34.6Very low35.8Very low91 Ų91149 Ų14964%0.63677%0.765SS**  cis171.2152-32.4510000108.6
364Q37.1Very low36.1Very low168 Ų168150.4 Ų150.479%0.78577%0.769SS**  trans69.2153.3168.3-59.2177.9-36.900115.5
365H37.7Very low36.4Very low142 Ų142154.3 Ų154.366%0.65777%0.766SS**  cis-160.5147.7-14.5-116.6-59.6000108.4
366N35.7Very low36.7Very low112 Ų112150.8 Ų150.860%0.59977%0.765SS**  trans61.9158.8145.3-70.730.9000120.7
367E37.8Very low36.8Very low144 Ų144146.1 Ų146.167%0.67376%0.759SS**  cis-166162.5-32.9-116.5163.3-17600108.6
368D38.1Very low37.2Very low134 Ų134145.6 Ų145.672%0.71776%0.759SS**  trans66.4142.8154.4-68.2-8000124.4
369T37.4Very low37.6Very low137 Ų137144.4 Ų144.484%0.8475%0.75SS**  trans66.4144164.458.80000119.7
370S38.8Very low38.7Very low93 Ų93140.5 Ų140.565%0.6574%0.74SS**  cis-170.7150.8-24.949.60000109.1
371D39Very low40.4Very low151 Ų151137.7 Ų137.781%0.80773%0.729SS**  trans47.6104.6158.8-53.4-7.5000119.1
372D40.1Very low42.6Very low174 Ų174131.7 Ų131.793%0.9371%0.706SS**  trans-158123.4142.4-112.2-27.6000109.5
373D38.7Very low45.2Very low165 Ų165131.4 Ų131.488%0.88269%0.693SS**  trans-78.9118.8-178.2-75-54.1000111.3
374F39Very low47.8Very low205 Ų205127.9 Ų127.990%0.89967%0.666SS**  trans-121.3127.2169-160.8-93.5000111.6
375Y41.8Very low50.3Low202 Ų202121.9 Ų121.979%0.79264%0.643SS**  trans-69.3144.7-171.4-92.5-108.6000113.8A377Y375-A377 PolarHBondContact O-N 3.19Å; Y375-A377 VanDerWaalsContact O-N 3.12Å
376D36.7Very low52.9Low167 Ų167115.1 Ų115.189%0.89361%0.611SS**  trans-61.3107.7158.9-78.9-53.7000110.1
377A36.9Very low55.5Low89 Ų89110.6 Ų110.674%0.73659%0.588SS**  trans-123.3128.4170.600000109.5Y375Y375-A377 PolarHBondContact O-N 3.19Å; Y375-A377 VanDerWaalsContact O-N 3.12Å
378E37.8Very low57.9Low171 Ų171103.9 Ų103.980%0.79956%0.557SS**  cis-167160.2-14.6-138.9-178.5-152.700105A380E378-A380 PolarHBondContact O-N 2.87Å
379E45.6Very low59.9Low148 Ų14898.4 Ų98.469%0.69253%0.529SS*.  trans-74.271.8168.7-77-166.8131.400110.2N381 R481E379-N381 PolarHBondContact O-N 3.19Å; E379-R481 IonicContact OE1-CZ 3.67Å; E379-R481 IonicContact OE1-NE 3.78Å; E379-R481 IonicContact OE1-NH2 2.72Å; E379-R481 PolarHBondContact OE1-NH2 3.47Å
380A56.8Low61.4Low49 Ų4995.8 Ų95.841%0.40551%0.509SS..  trans-63.398.9-17300000111.8E378 R479E378-A380 PolarHBondContact O-N 2.87Å; A380-R479 WeakPolarHBondContact O-CD 3.36Å; A380-R479 PolarHBondContact O-NH1 3.32Å
381N69.5Low62.3Low84 Ų8495.1 Ų95.145%0.44950%0.498SS..  trans-53146.2174.7-67.5-56.8000111.7E379 I476 P478E379-N381 PolarHBondContact O-N 3.19Å; N381-I476 HydrophobicContact CB-CG2 3.81Å; N381-P478 WeakPolarHBondContact OD1-CA 3.4Å
382S82.8Confident62.4Low38 Ų3892.5 Ų92.527%0.26649%0.492SS..EExtended strand (participates in β ladder)trans-79.5129.3169.640.60000110.1Q477S382-Q477 PolarHBondContact N-O 2.81Å; S382-Q477 PolarHBondContact O-N 3.3Å; S382-Q477 PolarHBondContact OG-O 3.47Å
383E87Confident62.1Low95 Ų9590 Ų9044%0.44449%0.485SS..EExtended strand (participates in β ladder)trans-115.1151.3176.2-63.8-164.6161.700112.6R474 V475 I476E383-R474 VanDerWaalsContact CD-NE 3.35Å; E383-R474 IonicContact OE1-CZ 3.32Å; E383-R474 VanDerWaalsContact OE1-CZ 3.23Å; E383-R474 IonicContact OE1-NE 3.33Å; E383-R474 PolarHBondContact OE1-NE 3.33Å; E383-R474 IonicContact OE1-NH2 3.61Å; E383-R474 PolarHBondContact OE1-NH2 3.5Å; E383-R474 IonicContact OE2-CZ 3.71Å; E383-R474 IonicContact OE2-NE 2.67Å; E383-R474 PolarHBondContact OE2-NE 3.32Å; E383-R474 IonicContact OE2-NH2 3.04Å; E383-R474 PolarHBondContact OE2-NH2 3.41Å; E383-V475 VanDerWaalsContact CA-O 3.28Å; E383-V475 WeakPolarHBondContact CA-O 3.35Å; E383-I476 HydrophobicContact CG-CG1 4.27Å
384F90.3Very high61.8Low18 Ų1889.3 Ų89.38%0.07948%0.481CS..EExtended strand (participates in β ladder)trans-158.1177.6171.355.9-76.4000110.8I386 V475 Q477 T753 V766 N768F384-I386 HydrophobicContact CD2-CG2 3.7Å; F384-I386 HydrophobicContact CE2-CG2 3.5Å; F384-I386 VanDerWaalsContact CE2-CG2 3.5Å; F384-V475 HydrophobicContact CD1-CB 4.13Å; F384-V475 HydrophobicContact CD1-CG1 4.38Å; F384-V475 HydrophobicContact CD2-CB 4.24Å; F384-V475 HydrophobicContact CD2-CG2 4.35Å; F384-V475 HydrophobicContact CE1-CB 3.89Å; F384-V475 HydrophobicContact CE1-CG1 3.68Å; F384-V475 HydrophobicContact CE2-CB 4.03Å; F384-V475 HydrophobicContact CE2-CG1 4.28Å; F384-V475 HydrophobicContact CE2-CG2 4.04Å; F384-V475 HydrophobicContact CG-CB 4.29Å; F384-V475 HydrophobicContact CZ-CB 3.85Å; F384-V475 HydrophobicContact CZ-CG1 3.64Å; F384-V475 HydrophobicContact CZ-CG2 4.25Å; F384-V475 PolarHBondContact N-O 2.92Å; F384-V475 VanDerWaalsContact N-O 3.16Å; F384-V475 PolarHBondContact O-N 3.07Å; F384-Q477 HydrophobicContact CE1-CB 4.19Å; F384-T753 HydrophobicContact CD2-CG2 4.21Å; F384-V766 HydrophobicContact CE2-CG1 3.67Å; F384-V766 HydrophobicContact CZ-CG1 3.63Å; F384-N768 HydrophobicContact CE1-CB 4.41Å; F384-N768 HydrophobicContact CE2-CB 3.81Å; F384-N768 HydrophobicContact CZ-CB 3.72Å
385S89.8Confident61.3Low41 Ų4189.3 Ų89.329%0.28748%0.484SS..EExtended strand (participates in β ladder)trans-116.3154.1167.369.10000112.1E472 A473S385-E472 WeakPolarHBondContact CB-OE1 3.24Å; S385-E472 PolarHBondContact OG-OE1 2.98Å; S385-A473 CarbonylContact C-O 3.49Å; S385-A473 VanDerWaalsContact CA-O 3.22Å; S385-A473 WeakPolarHBondContact CA-O 3.26Å; S385-A473 WeakPolarHBondContact CB-O 3.4Å
386I92.3Very high60.8Low0 Ų084.7 Ų84.70%048%0.481CS..EExtended strand (participates in β ladder)trans-129.4149.6176.768.9-179.5000110F384 L388 E472 A473 V475 A755 V766 L793F384-I386 HydrophobicContact CD2-CG2 3.7Å; F384-I386 HydrophobicContact CE2-CG2 3.5Å; F384-I386 VanDerWaalsContact CE2-CG2 3.5Å; I386-L388 HydrophobicContact CD1-CD2 4.11Å; I386-L388 HydrophobicContact CG1-CD2 4.38Å; I386-L388 HydrophobicContact CG1-CG 4.46Å; I386-E472 WeakPolarHBondContact O-CA 3.31Å; I386-A473 HydrophobicContact CG1-CB 4.05Å; I386-A473 PolarHBondContact N-O 3.09Å; I386-A473 PolarHBondContact O-N 2.79Å; I386-V475 HydrophobicContact CD1-CG2 3.86Å; I386-V475 HydrophobicContact CG1-CG2 4.02Å; I386-V475 HydrophobicContact CG2-CG2 3.77Å; I386-A755 HydrophobicContact CD1-CB 4.11Å; I386-V766 HydrophobicContact CD1-CG1 4.15Å; I386-V766 HydrophobicContact CD1-CG2 3.98Å; I386-V766 HydrophobicContact CG2-CG1 4.01Å; I386-L793 HydrophobicContact CD1-CD1 3.77Å
387T89.7Confident60.5Low18 Ų1886.4 Ų86.411%0.1148%0.481CS..EExtended strand (participates in β ladder)trans-79.9144.2170-410000109.2L470 H735 S737 K739T387-L470 HydrophobicContact CG2-CB 3.71Å; T387-L470 HydrophobicContact CG2-CD1 3.86Å; T387-L470 HydrophobicContact CG2-CD2 4.28Å; T387-L470 HydrophobicContact CG2-CG 4.14Å; T387-H735 WeakPolarHBondContact CG2-NE2 3.45Å; T387-H735 PolarHBondContact O-CD2 3.18Å; T387-S737 WeakPolarHBondContact OG1-CB 3.27Å; T387-S737 PolarHBondContact OG1-OG 2.91Å; T387-K739 PolarHBondContact OG1-NZ 2.95Å
388L87Confident60.2Low3 Ų389.9 Ų89.92%0.01649%0.487CS..EExtended strand (participates in β ladder)trans-133.5147.9171.1-63176.9000109.9I386 L470 R471 A473 A755 V763I386-L388 HydrophobicContact CD1-CD2 4.11Å; I386-L388 HydrophobicContact CG1-CD2 4.38Å; I386-L388 HydrophobicContact CG1-CG 4.46Å; L388-L470 WeakPolarHBondContact O-CA 3.45Å; L388-R471 HydrophobicContact CB-CG 3.86Å; L388-R471 PolarHBondContact N-O 3.3Å; L388-R471 PolarHBondContact O-N 2.61Å; L388-A473 HydrophobicContact CD1-CB 3.7Å; L388-A473 HydrophobicContact CG-CB 4.28Å; L388-A755 HydrophobicContact CD2-CB 3.37Å; L388-V763 HydrophobicContact CD1-CG2 4.01Å; L388-V763 HydrophobicContact CD2-CG2 3.64Å
389P80.6Confident59.9Low19 Ų1990 Ų9012%0.12349%0.493CS..  trans-65.7158.8169.428.8-35.1000112R471 L757P389-R471 PolarHBondContact O-NE 3.28Å; P389-L757 HydrophobicContact CG-CD1 4.35Å; P389-L757 HydrophobicContact CG-CD2 3.92Å
390D68.3Low59.2Low81 Ų8186.6 Ų86.643%0.43350%0.498SS..  trans-74.8148.7168.9-152.6-10.4000110.6K469D390-K469 WeakPolarHBondContact CB-O 3.43Å
391L58.7Low58Low79 Ų7991.9 Ų91.941%0.41452%0.519SS..  trans-114.855.6-176-63.3-179.2000111.3P393L391-P393 WeakPolarHBondContact O-CD 3.21Å
392S41.2Very low56.4Low97 Ų9797.7 Ų97.768%0.67854%0.54SS*.  trans-75.9121.9172.856.90000111.3N394S392-N394 PolarHBondContact O-N 3.42Å
393P33.3Very low53.8Low120 Ų120103.5 Ų103.578%0.77957%0.567SS**  trans-71.9127.3-178.4-19.232.8000113.8L391L391-P393 WeakPolarHBondContact O-CD 3.21Å
394N32.4Very low51.3Low151 Ų151104.7 Ų104.781%0.80759%0.586SS**  trans50.398.7158.6-64.4-26.7000119S392 S396S392-N394 PolarHBondContact O-N 3.42Å; N394-S396 PolarHBondContact O-N 3.4Å
395E28.4Very low48.4Very low206 Ų206114.3 Ų114.396%0.96362%0.621SS**  trans-77.393.1142-75.7-154.4140.500109.4K397E395-K397 PolarHBondContact O-N 3.46Å
396S31.4Very low45.7Very low105 Ų105121.8 Ų121.873%0.73465%0.649SS**  trans-72.7123.7175.756.50000111.5N394 N398N394-S396 PolarHBondContact O-N 3.4Å; S396-N398 PolarHBondContact O-N 3.39Å
397K30.4Very low42.8Very low203 Ų203127.7 Ų127.788%0.88369%0.685SS**  trans-35126.9176.8-63.9175.2178.6177.90114E395E395-K397 PolarHBondContact O-N 3.46Å
398N31.7Very low39.8Very low162 Ų162133.1 Ų133.187%0.86672%0.722SS**  trans-153.7121.6150.6-125.7-21.3000112.4S396S396-N398 PolarHBondContact O-N 3.39Å
399N30.4Very low37.2Very low173 Ų173136.5 Ų136.593%0.92576%0.757SS**  trans-79135.1175-81.9-26.9000110.3
400G31.9Very low34.7Very low77 Ų77143 Ų14379%0.79479%0.792SS**  trans-164.692.6-179.400000114.5K402G400-K402 PolarHBondContact O-N 2.85Å
401N31.3Very low32.9Very low160 Ų160147.8 Ų147.886%0.85682%0.816SS**  trans-52.3126.8175.3-85.1-38.5000113.5
402K34.6Very low31.5Very low205 Ų205148.8 Ų148.889%0.89184%0.836SS**  trans-164.2119.8131-109.8153.2-171.6171.70114.4G400G400-K402 PolarHBondContact O-N 2.85Å
403I29.8Very low31.1Very low161 Ų161147.7 Ų147.783%0.82684%0.839SS**  trans-75138.1168.5-63.5161.4000109.3
404S33.7Very low30.9Very low119 Ų119148.8 Ų148.883%0.83284%0.839SS**  trans-151.3136.1155.6-165.60000111
405R29.2Very low31Very low221 Ų221150.5 Ų150.583%0.83484%0.839SS**  trans-100.8140.9-180-64.8174.4176.9154.5-3.6110.7
406K33.8Very low31.2Very low198 Ų198145.2 Ų145.286%0.86183%0.825SS**  trans-172.2102.3149.8-101.8154.4-176.1-176.10108
407T30.9Very low31.2Very low123 Ų123146.9 Ų146.976%0.75583%0.825SS**  66.791.272.468.20000115.4
408C26.7Very low31.4Very low133 Ų133144.2 Ų144.290%0.89982%0.821SS**  trans53.6133139-153.40000121.1
409G32.3Very low31.4Very low73 Ų73141.8 Ų141.875%0.75381%0.808SS**  trans174.589.9167.200000114
410N27.7Very low31.4Very low157 Ų157141.3 Ų141.384%0.8480%0.8SS**  trans-71.4145.5171.9-69.9-7000111.6
411L31.5Very low31.3Very low180 Ų180143.9 Ų143.994%0.94280%0.8SS**  trans-164.8133148-108.7155.8000111.1
412A28.1Very low31.3Very low101 Ų101139.5 Ų139.584%0.83579%0.793SS**  trans-97.3154.1-178.400000112.4
413G32.7Very low30.9Very low73 Ų73137.6 Ų137.675%0.75379%0.792SS**  trans-147.319.1-156.100000121
414N30.9Very low31Very low144 Ų144135.6 Ų135.677%0.7779%0.792SS**  trans51135.3152.5-94.5-41.3000122.5
415K33.4Very low30.6Very low187 Ų187137 Ų13781%0.81379%0.791SS**  trans74.2153.1150.8-63.9170-177.5-178.90118.4
416S32.8Very low30.7Very low95 Ų95131.9 Ų131.966%0.66479%0.789SS**  cis-170151.2-18.749.90000112
417N31.1Very low30.4Very low139 Ų139129.8 Ų129.874%0.74378%0.782SS**  trans24128.7151.5-56.710000121.5
418D34.4Very low30.5Very low148 Ų148129.9 Ų129.979%0.79178%0.778SS**  -178.1161.4113.5-93.1-26.6000109.5
419N31.6Very low30.8Very low110 Ų110132.3 Ų132.359%0.58878%0.776SS**  cis167.6134.6-35.5-125.1-43.5000105.9
420Q31.8Very low30.6Very low164 Ų164135.8 Ų135.877%0.76678%0.777SS**  trans68.4154.8159.8-59.8172.434.300116.8
421T30Very low30.9Very low130 Ų130133.8 Ų133.880%0.79878%0.775SS**  cis-159.1163.48.4-8.30000112.5
422G30.7Very low30.9Very low68 Ų68131.9 Ų131.970%0.70177%0.771SS**  trans101118.5161.800000115.3
423L26.6Very low30.8Very low166 Ų166134.5 Ų134.587%0.86977%0.769SS**  cis8690.117.9-61.4173.6000118.6
424S30.4Very low30.7Very low119 Ų119136.7 Ų136.783%0.83277%0.77SS**  trans173.2172.8133.857.20000111.7
425N26Very low30.5Very low149 Ų149134.8 Ų134.880%0.79777%0.774SS**  -174110.8-74-124.243.6000107.7
426S31.3Very low30.3Very low113 Ų113129.6 Ų129.679%0.7977%0.774SS**  trans-174.3130.6166490000107.7
427Q27.8Very low30.1Very low153 Ų153130 Ų13072%0.71578%0.777SS**  cis66.5123.726.3-63.9-154.5-104.200114.9
428D32.3Very low30.1Very low125 Ų125130.5 Ų130.567%0.66878%0.78SS**  cis-136.1-160.3-10.4-72.7-48.6000107.3
429E33.2Very low29.8Very low184 Ų184130.4 Ų130.486%0.8678%0.778SS**  cis-154.4-145.49.6-155.4173.5-127.900110
430D29.5Very low29.6Very low146 Ų146129.5 Ų129.578%0.78179%0.785SS**  trans-100.6157.1-167.4-76.4-63.6000116.7
431S32.6Very low29.5Very low115 Ų115129.1 Ų129.180%0.80479%0.788SS**  trans-172.8110.3139.7-870000117.2
432V32.9Very low29.6Very low141 Ų141130.9 Ų130.986%0.85579%0.788SS**  trans50.9135.9136.2-169.20000122.6
433I24.5Very low29.5Very low155 Ų155136.5 Ų136.580%0.79579%0.789SS**  trans-111.5144.6-178.9-75.2162.6000110.3
434P31.8Very low29.6Very low119 Ų119133 Ų13377%0.77377%0.768SS**  -152.1131.6114.135.3-15.5000119.2
435A27.1Very low29.5Very low104 Ų104131.7 Ų131.786%0.8676%0.759SS**  trans66.3122.6131.400000123.3
436G28.9Very low29.6Very low78 Ų78129.5 Ų129.580%0.80475%0.748SS**  trans-167133156.400000110.2
437S28.4Very low29.6Very low105 Ų105129.4 Ų129.473%0.73474%0.742SS**  trans-77.6162.7176.963.30000110.8
438D31.3Very low29.6Very low148 Ų148125.8 Ų125.879%0.79175%0.746SS**  cis-139.1177.532.2-90.5-73.7000115.5
439I27.4Very low29.5Very low147 Ų147128.7 Ų128.775%0.75475%0.753SS**  trans-80138-161.8-64.6163.7000113.8
440A26.8Very low29.5Very low90 Ų90126.4 Ų126.474%0.74475%0.752SS**  trans-127.4119.3161.300000110E442A440-E442 PolarHBondContact O-N 3.34Å
441D30.5Very low29.5Very low156 Ų156126 Ų12683%0.83475%0.749SS**  trans-83.8105.2-179.4-81.8-49.8000112
442E31.1Very low29.4Very low168 Ų168128.2 Ų128.279%0.78575%0.752SS**  trans-78.6138.3172.7-64.1-170.7135.100112.7A440A440-E442 PolarHBondContact O-N 3.34Å
443Y29.9Very low29.4Very low186 Ų186130.4 Ų130.473%0.72975%0.753SS**  trans-126.586.6164.7-113.4-98.8000111.1T48 S445T48-Y443 HydrophobicContact CG2-CE1 3.68Å; T48-Y443 VanDerWaalsContact CG2-OH 3.3Å; T48-Y443 WeakPolarHBondContact CG2-OH 3.46Å; Y443-S445 PolarHBondContact O-N 3.23Å
444E27.8Very low29.8Very low92 Ų92127.7 Ų127.743%0.4375%0.754SS.*  trans-59.5129.7166.4-70.9176.9126.400110.6R40 R50R40-E444 IonicContact CZ-OE2 3.8Å; R40-E444 IonicContact NH2-OE2 3.62Å; R40-E444 PolarHBondContact NH2-OE2 2.87Å; R50-E444 IonicContact CZ-OE2 3.86Å; R50-E444 IonicContact NH1-OE2 2.69Å; R50-E444 PolarHBondContact NH1-OE2 2.82Å; R50-E444 IonicContact NH2-OE2 2.7Å; R50-E444 PolarHBondContact NH2-OE2 2.79Å
445S29.3Very low29.8Very low92 Ų92129.9 Ų129.964%0.64376%0.759SS**  trans-130.7119.5161.156.70000111Y443 V447Y443-S445 PolarHBondContact O-N 3.23Å; S445-V447 PolarHBondContact O-N 2.86Å
446D27.7Very low30.1Very low103 Ų103131.9 Ų131.955%0.55175%0.751SS**  trans-69.4113-173-71.1-43.6000111.9Y38Y38-D446 PolarHBondContact OH-OD2 2.79Å
447V31.5Very low30.4Very low110 Ų110139.9 Ų139.967%0.66776%0.758SS**  trans-122.481158.6-76.10000110.8S445 F449S445-V447 PolarHBondContact O-N 2.86Å; V447-F449 PolarHBondContact O-N 3.25Å
448G27.7Very low30.4Very low78 Ų78139 Ų13980%0.80476%0.758SS**  trans-70.6112.9172.100000111.5
449F30.6Very low30.3Very low186 Ų186137.7 Ų137.782%0.81675%0.75SS**PPolyproline II helixtrans-98.3148.5148-80.9-95.1000107.5V447V447-F449 PolarHBondContact O-N 3.25Å
450T32.6Very low30.4Very low135 Ų135138 Ų13883%0.82875%0.748SS**PPolyproline II helixtrans-69.3152.6-172.442.40000112.7
451D29.3Very low30.5Very low138 Ų138140.9 Ų140.974%0.73875%0.752SS**PPolyproline II helixtrans-58.7136170.8-42.4-88.4000110.7
452D30.3Very low30.5Very low161 Ų161137.5 Ų137.586%0.86174%0.74SS**  trans162.670153.5-87-18000109.6
453E32.8Very low30.6Very low188 Ų188137.9 Ų137.988%0.87974%0.742SS**  trans-177.784.4158-110.2171.3-135.800109.3
454A32.9Very low30.7Very low98 Ų98134.3 Ų134.381%0.8174%0.744SS**  trans-129.822.1178.800000112.8
455D31.3Very low31.3Very low164 Ų164133.5 Ų133.588%0.87774%0.743SS**  trans-144.336.6-169.6-95.1-45.8000113.3
456E33.5Very low32Very low147 Ų147138.7 Ų138.769%0.68776%0.757SS**  trans-138.951.9177.3-145.5169.6-112.300115.3A458E456-A458 PolarHBondContact O-N 3.42Å
457Y34.7Very low32.9Very low246 Ų246137.7 Ų137.797%0.96575%0.748SS**SBendtrans-79.629.4164.2-92.6-83.9000113.1
458A28.9Very low33.7Very low87 Ų87134.9 Ų134.972%0.71974%0.741SS**  trans-158.860.9-173.100000114.8E456E456-A458 PolarHBondContact O-N 3.42Å
459D30.1Very low35.4Very low119 Ų119139.6 Ų139.664%0.63674%0.739SS**  trans-134.9161.3156.7-155.326.2000115.2
460Q29.6Very low37.7Very low153 Ų153133.9 Ų133.972%0.71572%0.717SS**  trans-100.1179.7-142.6-64.4152.970.600113.6
461N28.7Very low40.3Very low152 Ų152131.4 Ų131.481%0.81369%0.693SS**  trans65.683.2167.9-60.9-54.6000117.4
462S30.1Very low43.1Very low85 Ų85128.9 Ų128.959%0.59468%0.676SS**SBend180117.8108.132.60000112.9S464 K673S462-S464 PolarHBondContact O-N 3.06Å; S462-K673 PolarHBondContact OG-NZ 2.78Å
463Q34.2Very low46Very low175 Ų175121.2 Ų121.282%0.81864%0.635SS**  trans58.832.1166.9-64.8-172.2-17.700118.4N465Q463-N465 PolarHBondContact O-N 3.34Å
464S31.9Very low48.8Very low112 Ų112118 Ų11878%0.78362%0.615SS**  trans-73.811316052.70000110.6S462 Q466S462-S464 PolarHBondContact O-N 3.06Å; S464-Q466 PolarHBondContact O-N 3.04Å
465N39.1Very low51.7Low75 Ų75113.3 Ų113.340%0.40158%0.577SS.*  trans-63.9126.6173.7-73.8-27.2000110.9Q463 F467 H701Q463-N465 PolarHBondContact O-N 3.34Å; N465-F467 WeakPolarHBondContact O-CD2 3.39Å; N465-F467 PolarHBondContact O-N 2Å; N465-H701 PolarHBondContact ND2-ND1 3.49Å
466Q43.7Very low54.6Low200 Ų200107.1 Ų107.194%0.93554%0.543SS*.  trans36.710147.4-69.8-170.8-16.400123.2S464 G468S464-Q466 PolarHBondContact O-N 3.04Å; Q466-G468 PolarHBondContact O-N 3.21Å; Q466-G468 VanDerWaalsContact O-N 3.12Å
467F47.2Very low57.2Low83 Ų83100.7 Ų100.736%0.36451%0.513SS..  trans-71.9109.7175.7-71.2-66.2000111.7N465 L470 E722 D724 H735N465-F467 WeakPolarHBondContact O-CD2 3.39Å; N465-F467 PolarHBondContact O-N 2Å; F467-L470 HydrophobicContact CD1-CD2 4.06Å; F467-E722 HydrophobicContact CE1-CB 4.31Å; F467-E722 HydrophobicContact CE2-CB 4.06Å; F467-E722 HydrophobicContact CZ-CB 3.94Å; F467-D724 HydrophobicContact CE1-CB 4.34Å; F467-D724 WeakPolarHBondContact CE1-OD1 3.3Å; F467-D724 HydrophobicContact CZ-CB 4.27Å; F467-H735 AromaticContact CE1-CE1 3.61Å; F467-H735 AromaticContact CE1-ND1 3.74Å
468G48.2Very low59.6Low51 Ų5191.2 Ų91.253%0.52648%0.482SS..  trans-69.1-168.8167.300000112.5Q466 L470Q466-G468 PolarHBondContact O-N 3.21Å; Q466-G468 VanDerWaalsContact O-N 3.12Å; G468-L470 PolarHBondContact O-N 3.28Å
469K63.1Low61.6Low176 Ų17695.2 Ų95.277%0.76548%0.478SS*.  trans-66.995.3180-84.4-172.6172.7-178.40111.7D390 R471D390-K469 WeakPolarHBondContact CB-O 3.43Å; K469-R471 PolarHBondContact O-N 3.49Å
470L79.6Confident63Low66 Ų6693.7 Ų93.735%0.34648%0.477SS..  trans-56.6134.2175.4-58.9178000110.7T387 L388 F467 G468 E722T387-L470 HydrophobicContact CG2-CB 3.71Å; T387-L470 HydrophobicContact CG2-CD1 3.86Å; T387-L470 HydrophobicContact CG2-CD2 4.28Å; T387-L470 HydrophobicContact CG2-CG 4.14Å; L388-L470 WeakPolarHBondContact O-CA 3.45Å; F467-L470 HydrophobicContact CD1-CD2 4.06Å; G468-L470 PolarHBondContact O-N 3.28Å; L470-E722 HydrophobicContact CD1-CG 3.9Å
471R86.8Confident63.7Low84 Ų8496.4 Ų96.432%0.31748%0.48SS..EExtended strand (participates in β ladder)trans-115.7144.7-17965.2-172.3174.2139.57.8110.3L388 P389 K469L388-R471 HydrophobicContact CB-CG 3.86Å; L388-R471 PolarHBondContact N-O 3.3Å; L388-R471 PolarHBondContact O-N 2.61Å; P389-R471 PolarHBondContact O-NE 3.28Å; K469-R471 PolarHBondContact O-N 3.49Å
472E88.8Confident64.2Low84 Ų8498 Ų9839%0.39348%0.483SS..EExtended strand (participates in β ladder)trans-95.4132.7-179.8-173-173.6-142.200111.3S385 I386 K790S385-E472 WeakPolarHBondContact CB-OE1 3.24Å; S385-E472 PolarHBondContact OG-OE1 2.98Å; I386-E472 WeakPolarHBondContact O-CA 3.31Å; E472-K790 IonicContact OE2-NZ 3.35Å; E472-K790 PolarHBondContact OE2-NZ 2.71Å
473A90.8Very high64.2Low0 Ų099.5 Ų99.50%049%0.492CS..EExtended strand (participates in β ladder)trans-113.9144.1168.400000110.7S385 I386 L388 P791S385-A473 CarbonylContact C-O 3.49Å; S385-A473 VanDerWaalsContact CA-O 3.22Å; S385-A473 WeakPolarHBondContact CA-O 3.26Å; S385-A473 WeakPolarHBondContact CB-O 3.4Å; I386-A473 HydrophobicContact CG1-CB 4.05Å; I386-A473 PolarHBondContact N-O 3.09Å; I386-A473 PolarHBondContact O-N 2.79Å; L388-A473 HydrophobicContact CD1-CB 3.7Å; L388-A473 HydrophobicContact CG-CB 4.28Å; A473-P791 WeakPolarHBondContact CA-O 3.13Å; A473-P791 HydrophobicContact CB-CB 3.91Å; A473-P791 HydrophobicContact CB-CG 4.33Å
474R92.3Very high63.8Low121 Ų12195.1 Ų95.146%0.45749%0.494SS..EExtended strand (participates in β ladder)trans-88.2142170.4-175.4178179.3-165.31.8108.8E383 P791 V792 L793E383-R474 VanDerWaalsContact CD-NE 3.35Å; E383-R474 IonicContact OE1-CZ 3.32Å; E383-R474 VanDerWaalsContact OE1-CZ 3.23Å; E383-R474 IonicContact OE1-NE 3.33Å; E383-R474 PolarHBondContact OE1-NE 3.33Å; E383-R474 IonicContact OE1-NH2 3.61Å; E383-R474 PolarHBondContact OE1-NH2 3.5Å; E383-R474 IonicContact OE2-CZ 3.71Å; E383-R474 IonicContact OE2-NE 2.67Å; E383-R474 PolarHBondContact OE2-NE 3.32Å; E383-R474 IonicContact OE2-NH2 3.04Å; E383-R474 PolarHBondContact OE2-NH2 3.41Å; R474-P791 PolarHBondContact N-O 3.42Å; R474-V792 HydrophobicContact CB-CG2 4.48Å; R474-V792 CarbonylContact O-C 3.55Å; R474-V792 VanDerWaalsContact O-CA 3.31Å; R474-V792 WeakPolarHBondContact O-CA 3.43Å; R474-L793 PolarHBondContact O-N 3.24Å
475V93.6Very high63.9Low0 Ų094.8 Ų94.80%049%0.492CS..EExtended strand (participates in β ladder)trans-118.2134.9176.6-175.10000108.7E383 F384 I386 V766 L793 T795E383-V475 VanDerWaalsContact CA-O 3.28Å; E383-V475 WeakPolarHBondContact CA-O 3.35Å; F384-V475 HydrophobicContact CD1-CB 4.13Å; F384-V475 HydrophobicContact CD1-CG1 4.38Å; F384-V475 HydrophobicContact CD2-CB 4.24Å; F384-V475 HydrophobicContact CD2-CG2 4.35Å; F384-V475 HydrophobicContact CE1-CB 3.89Å; F384-V475 HydrophobicContact CE1-CG1 3.68Å; F384-V475 HydrophobicContact CE2-CB 4.03Å; F384-V475 HydrophobicContact CE2-CG1 4.28Å; F384-V475 HydrophobicContact CE2-CG2 4.04Å; F384-V475 HydrophobicContact CG-CB 4.29Å; F384-V475 HydrophobicContact CZ-CB 3.85Å; F384-V475 HydrophobicContact CZ-CG1 3.64Å; F384-V475 HydrophobicContact CZ-CG2 4.25Å; F384-V475 PolarHBondContact N-O 2.92Å; F384-V475 VanDerWaalsContact N-O 3.16Å; F384-V475 PolarHBondContact O-N 3.07Å; I386-V475 HydrophobicContact CD1-CG2 3.86Å; I386-V475 HydrophobicContact CG1-CG2 4.02Å; I386-V475 HydrophobicContact CG2-CG2 3.77Å; V475-V766 HydrophobicContact CG1-CG1 4.2Å; V475-V766 HydrophobicContact CG1-CG2 4.38Å; V475-V766 HydrophobicContact CG2-CG1 4.04Å; V475-V766 HydrophobicContact CG2-CG2 4.24Å; V475-L793 CarbonylContact C-O 3.54Å; V475-L793 WeakPolarHBondContact CA-O 3.35Å; V475-L793 HydrophobicContact CG2-CB 4.39Å; V475-L793 HydrophobicContact CG2-CD1 4.42Å; V475-T795 HydrophobicContact CG1-CG2 3.84Å
476I92.1Very high63.4Low34 Ų34101.4 Ų101.417%0.17451%0.511CS..EExtended strand (participates in β ladder)trans-117.7112.2173.6-55.7176.2000106.3N381 E383 V792 L793 E794 T795N381-I476 HydrophobicContact CB-CG2 3.81Å; E383-I476 HydrophobicContact CG-CG1 4.27Å; I476-V792 HydrophobicContact CD1-CG1 3.67Å; I476-V792 HydrophobicContact CG1-CG1 4.1Å; I476-L793 PolarHBondContact N-O 2.66Å; I476-E794 WeakPolarHBondContact O-CA 3.48Å; I476-T795 PolarHBondContact O-N 2.76Å
477Q88.9Confident62.9Low11 Ų1198.4 Ų98.45%0.05151%0.509CS..EExtended strand (participates in β ladder)trans-119.6129.8-173.2179.2171.432.600110.5S382 F384 R479 T795S382-Q477 PolarHBondContact N-O 2.81Å; S382-Q477 PolarHBondContact O-N 3.3Å; S382-Q477 PolarHBondContact OG-O 3.47Å; F384-Q477 HydrophobicContact CE1-CB 4.19Å; Q477-R479 PolarHBondContact O-N 3.47Å; Q477-T795 WeakPolarHBondContact CA-OG1 3.25Å; Q477-T795 WeakPolarHBondContact CB-OG1 3.28Å; Q477-T795 WeakPolarHBondContact CG-OG1 3.32Å
478P85.2Confident62.3Low47 Ų4797.8 Ų97.831%0.30553%0.526SS..PPolyproline II helixtrans-64.8130.317527.1-34.2000110.5N381 S480 T795N381-P478 WeakPolarHBondContact OD1-CA 3.4Å; P478-S480 PolarHBondContact O-N 2.89Å; P478-T795 WeakPolarHBondContact CD-O 3.43Å
479R69.5Low61.5Low172 Ų172102.1 Ų102.165%0.64954%0.542SS*.PPolyproline II helixtrans-63.9126.9177.5-87.4-172.8162.3131.3-14.6110.4A380 Q477 R481A380-R479 WeakPolarHBondContact O-CD 3.36Å; A380-R479 PolarHBondContact O-NH1 3.32Å; Q477-R479 PolarHBondContact O-N 3.47Å; R479-R481 PolarHBondContact O-N 3.44Å
480S59.3Low60.1Low86 Ų86101.2 Ų101.260%0.60155%0.545SS*.PPolyproline II helixtrans-65.5131.9170.7-172.60000110.5P478 Q482P478-S480 PolarHBondContact O-N 2.89Å; S480-Q482 PolarHBondContact O-N 2.88Å
481R45.1Very low57.8Low210 Ų210104.2 Ų104.279%0.79257%0.566SS**  trans-74.787.7175.6-70-174.6178.3-174.5-0.2109.5E379 R479 C483E379-R481 IonicContact OE1-CZ 3.67Å; E379-R481 IonicContact OE1-NE 3.78Å; E379-R481 IonicContact OE1-NH2 2.72Å; E379-R481 PolarHBondContact OE1-NH2 3.47Å; R479-R481 PolarHBondContact O-N 3.44Å; R481-C483 PolarHBondContact O-N 3.4Å
482Q39.9Very low55.4Low186 Ų186105.7 Ų105.787%0.86959%0.586SS**  trans-60.3108.1173.7-75.3-171.8-14.400110.7S480 G484S480-Q482 PolarHBondContact O-N 2.88Å; Q482-G484 PolarHBondContact O-N 3.32Å
483C28.3Very low52.7Low117 Ų117107.6 Ų107.679%0.79161%0.609SS**  trans-75.4103.3168.8-1690000108.7R481 S485R481-C483 PolarHBondContact O-N 3.4Å; C483-S485 VanDerWaalsContact C-N 3.33Å; C483-S485 PolarHBondContact O-N 2.85Å
484G27.1Very low49.9Very low82 Ų82111 Ų11185%0.84565%0.645SS**  trans-72.674.5-172.600000114.6Q482Q482-G484 PolarHBondContact O-N 3.32Å
485S33.1Very low47.1Very low106 Ų106113.6 Ų113.674%0.74167%0.667SS**  trans-84.3116172.3-70.10000111.5C483C483-S485 VanDerWaalsContact C-N 3.33Å; C483-S485 PolarHBondContact O-N 2.85Å
486R28.9Very low44.3Very low213 Ų213117.1 Ų117.180%0.80470%0.704SS**  trans-60.3143.2167.4-75.2178.4168.1-177.5-4.2110.2G488R486-G488 PolarHBondContact O-N 3.29Å; R486-G488 VanDerWaalsContact O-N 3.11Å
487P32.9Very low41.3Very low137 Ų137124.4 Ų124.489%0.8974%0.737SS**  trans-67.1111.7175.927.4-33.5000110.4
488G34.4Very low38.7Very low71 Ų71132.7 Ų132.773%0.73278%0.778SS**  trans-120124.8173.800000110.3R486 L490R486-G488 PolarHBondContact O-N 3.29Å; R486-G488 VanDerWaalsContact O-N 3.11Å; G488-L490 PolarHBondContact O-N 3.27Å
489T32.4Very low36.1Very low141 Ų141135.9 Ų135.987%0.86580%0.796SS**  trans-61.2130.4179.7-50.50000112.1
490L33.5Very low34.4Very low158 Ų158135.4 Ų135.483%0.82780%0.802SS**  trans-162.2124150.1-109.3168.3000110.2G488G488-L490 PolarHBondContact O-N 3.27Å
491V31.7Very low33.1Very low128 Ų128137.4 Ų137.478%0.77681%0.806SS**  trans-111.2121.8168.9175.60000108
492P36.1Very low32.8Very low116 Ų116135.2 Ų135.275%0.75381%0.808SS**  trans-107.1114.1162.814.85.1000110.2
493S30.7Very low32.8Very low123 Ų123132 Ų13286%0.8680%0.804SS**  trans-71.6140.3160-55.60000109.4
494G33.9Very low32.9Very low73 Ų73133 Ų13375%0.75381%0.806SS**  trans-174.8108.1175.200000112.4
495D31.9Very low33.5Very low175 Ų175135.8 Ų135.894%0.93681%0.807SS**  trans-66.7133175.1-64.1-72.7000111.4
496G35.4Very low33.6Very low74 Ų74139 Ų13976%0.76381%0.81SS**  trans-129.491.1177.500000111M498G496-M498 PolarHBondContact O-N 2.76Å
497Q29.4Very low34.1Very low186 Ų186138 Ų13887%0.86982%0.815SS**  trans-66.9128.5169.6-69.4179.7-16.300109.9
498M34.7Very low34.5Very low186 Ų186136.9 Ų136.992%0.91681%0.81SS**  trans-123.6119.3157.8-69.8-162.273.500109.2G496G496-M498 PolarHBondContact O-N 2.76Å
499T29.8Very low34.5Very low113 Ų113141.2 Ų141.269%0.69382%0.816SS**  trans-93-177.1173.245.90000110.2
500Q33.9Very low34.9Very low162 Ų162140.1 Ų140.176%0.75781%0.814SS**  trans77.5147169.2-48.3-165.4-78.100116.6
501D33.2Very low35.1Very low129 Ų129143.6 Ų143.669%0.6982%0.817SS**  cis-161.1143.2-25.6-96.3-30.8000106.1
502I37.9Very low35.5Very low164 Ų164144.3 Ų144.384%0.84182%0.816SS**  trans-133.3124.5170.8-58.9-177.2000109.1
503P39.2Very low35.8Very low119 Ų119146.3 Ų146.377%0.77382%0.815SS**  trans-75.8147.8-173.8-1631000114.3
504T30.9Very low36Very low136 Ų136145.5 Ų145.583%0.83481%0.809SS**  trans-84.3136.4165.945.30000112.1
505T39.2Very low36.1Very low141 Ų141150.7 Ų150.787%0.86581%0.814SS**  trans-142.7133.9155.5-51.20000108
506E36Very low36.1Very low173 Ų173147.4 Ų147.481%0.80881%0.811SS**  trans-104.2179.7-174.5-62.3-176.9116.200112.7
507E39.1Very low35.9Very low194 Ų194150.9 Ų150.991%0.90781%0.812SS**  trans74.4141.7170-51.5-160.5141.800116.8
508S40.4Very low36.2Very low112 Ų112147.2 Ų147.278%0.78381%0.807SS**  cis-146.2160.16.757.80000113.3
509N36.5Very low36.3Very low162 Ų162147 Ų14787%0.86680%0.804SS**  trans-61.7143.1-176.3-64.2-84.8000116
510S40.6Very low37.3Very low119 Ų119146.6 Ų146.683%0.83280%0.803SS**  trans-146.8151.5131.562.70000110.4
511R37.4Very low38.8Very low231 Ų231145 Ų14587%0.87280%0.8SS**  trans-98.9151-174.7-61.5169.8177.4147.4-1.7110.1
512D38.8Very low41.1Very low142 Ų142143.3 Ų143.376%0.75979%0.794SS**  -170.9147.1118.2-98.7-8.5000115.7
513H44Very low43.5Very low159 Ų159135.9 Ų135.974%0.73676%0.756SS**  trans38.983.2149.3-68.2-65.1000122.6
514S34Very low45.9Very low105 Ų105139 Ų13973%0.73476%0.757SS**  46.797.3115.863.60000119.8
515Q36Very low48.6Very low183 Ų183139.2 Ų139.286%0.85575%0.747SS**  trans-139141.2142-140164.7-2400108.6D517Q515-D517 PolarHBondContact O-N 2.74Å
516A31.4Very low50.9Low106 Ų106136.2 Ų136.288%0.87672%0.719SS**  trans-96.477.4-174.500000110.2S518A516-S518 PolarHBondContact O-N 2.8Å
517D32.6Very low53.5Low146 Ų146135.2 Ų135.278%0.78172%0.719SS**PPolyproline II helixtrans-66.5126.8169.6-70.8-33.1000109.3Q515 E519Q515-D517 PolarHBondContact O-N 2.74Å; D517-E519 PolarHBondContact O-N 2.89Å
518S35.5Very low55.9Low110 Ų110131.1 Ų131.177%0.76971%0.709SS**PPolyproline II helixtrans-68123.1171.651.80000109.5A516A516-S518 PolarHBondContact O-N 2.8Å
519E35.5Very low58.3Low180 Ų180129 Ų12984%0.84169%0.688SS**PPolyproline II helixtrans-52.9138.1164.5-72.1-169.5124.300109.3D517 D521D517-E519 PolarHBondContact O-N 2.89Å; E519-D521 PolarHBondContact O-N 3.33Å
520P51.4Low61Low105 Ų105128.4 Ų128.468%0.68269%0.69SS**PPolyproline II helixtrans-61.5131.9175.326.7-33.7000108.9V522P520-V522 VanDerWaalsContact O-CG2 3.28Å; P520-V522 WeakPolarHBondContact O-CG2 3.34Å; P520-V522 PolarHBondContact O-N 3.02Å
521D65.5Low63.6Low130 Ų130123.8 Ų123.870%0.69565%0.654SS**  trans-62.797-174-172.631.2000111.2E519 I523E519-D521 PolarHBondContact O-N 3.33Å; D521-I523 PolarHBondContact O-N 3.14Å
522V82.1Confident66.4Low93 Ų93114.9 Ų114.956%0.56462%0.621SS**  trans-74.3115.3-173.2-176.90000109.2P520 K524P520-V522 VanDerWaalsContact O-CG2 3.28Å; P520-V522 WeakPolarHBondContact O-CG2 3.34Å; P520-V522 PolarHBondContact O-N 3.02Å; V522-K524 PolarHBondContact O-N 3Å
523I88.2Confident69.1Low8 Ų8113.2 Ų113.24%0.04161%0.611CS.*  trans-62.6109.7175.8-53.8175.8000108.1D521 K525 T634 R640 E658 N660D521-I523 PolarHBondContact O-N 3.14Å; I523-K525 PolarHBondContact O-N 3.23Å; I523-T634 HydrophobicContact CG2-CG2 3.47Å; I523-T634 VanDerWaalsContact CG2-CG2 3.47Å; I523-R640 HydrophobicContact CG2-CG 4.48Å; I523-E658 HydrophobicContact CD1-CB 4.05Å; I523-E658 HydrophobicContact CD1-CG 3.69Å; I523-N660 WeakPolarHBondContact CB-OD1 3.25Å; I523-N660 PolarHBondContact N-OD1 2.9Å; I523-N660 PolarHBondContact O-ND2 3.23Å
524K88.1Confident71.6Confident183 Ų183109.1 Ų109.180%0.79660%0.601SS**PPolyproline II helixtrans-68.5122-177.9-67.4170.8-174.4166.50109.8V522 R526V522-K524 PolarHBondContact O-N 3Å; K524-R526 PolarHBondContact O-N 2.83Å
525K88.3Confident74.6Confident142 Ų142104.8 Ų104.862%0.61757%0.569SS**PPolyproline II helixtrans-62.6118.2175.5173.1144.3-172.2149.30111I523 T634 D635I523-K525 PolarHBondContact O-N 3.23Å; K525-T634 WeakPolarHBondContact CD-O 3.3Å; K525-T634 WeakPolarHBondContact CG-O 3.27Å; K525-D635 WeakPolarHBondContact CE-O 3.22Å; K525-D635 PolarHBondContact NZ-O 3.07Å
526R87.9Confident77.3Confident78 Ų7899.1 Ų99.129%0.29455%0.548SS..PPolyproline II helixtrans-61.7156.1167.4-76.3172.784.9-173.510.8110.9K524 I529 D632 T634 D635 E828K524-R526 PolarHBondContact O-N 2.83Å; R526-I529 VanDerWaalsContact CZ-CD1 3.42Å; R526-D632 VanDerWaalsContact CD-OD1 3.31Å; R526-D632 WeakPolarHBondContact CD-OD1 3.48Å; R526-D632 VanDerWaalsContact CD-OD2 3.31Å; R526-D632 WeakPolarHBondContact CD-OD2 3.39Å; R526-D632 PolarHBondContact NH1-O 2.9Å; R526-T634 WeakPolarHBondContact CB-OG1 3.41Å; R526-T634 WeakPolarHBondContact CG-OG1 3.3Å; R526-T634 PolarHBondContact N-OG1 3.2Å; R526-D635 HydrophobicContact CB-CB 3.86Å; R526-D635 WeakPolarHBondContact O-CA 3.35Å; R526-E828 IonicContact CZ-OE2 2.92Å; R526-E828 IonicContact NH1-OE2 3.74Å; R526-E828 PolarHBondContact NH1-OE2 3.02Å; R526-E828 VanDerWaalsContact NH1-OE2 3.16Å; R526-E828 IonicContact NH2-OE2 2.73Å; R526-E828 PolarHBondContact NH2-OE2 2.83Å
527L89.5Confident80.2Confident151 Ų15197.3 Ų97.379%0.79153%0.528SS*.PPolyproline II helixtrans-68.9144.8168.8-65.8174.3000109.9I529 D635L527-I529 WeakPolarHBondContact O-CG1 3.34Å; L527-I529 PolarHBondContact O-N 3.48Å; L527-D635 WeakPolarHBondContact O-CB 3.19Å
528P89.6Confident82.9Confident109 Ų10994 Ų9471%0.70851%0.506SS*.PPolyproline II helixtrans-50.6124.7178.4-30.137.1000114.1
529I90.8Very high85.3Confident68 Ų6890.3 Ų90.335%0.34948%0.48SS..PPolyproline II helixtrans-101.4134.5-178.1-55.1-177.3000110.8R526 L527 R531 D635R526-I529 VanDerWaalsContact CZ-CD1 3.42Å; L527-I529 WeakPolarHBondContact O-CG1 3.34Å; L527-I529 PolarHBondContact O-N 3.48Å; I529-R531 HydrophobicContact CB-CG 4.2Å; I529-R531 HydrophobicContact CG2-CG 3.96Å; I529-R531 PolarHBondContact O-N 3.43Å; I529-R531 VanDerWaalsContact O-N 3.09Å; I529-D635 PolarHBondContact N-OD2 2.91Å
530V93.2Very high87.1Confident148 Ų14888.9 Ų88.990%0.89748%0.478SS*.  trans-78.493.6170.7-177.30000109
531R95.8Very high87.9Confident22 Ų2288.5 Ų88.58%0.08347%0.469CS..  trans-92.6149.5179.5-60.9174.1-170.7-94.210111.8I529 D632 D635 Q823 E826 E828I529-R531 HydrophobicContact CB-CG 4.2Å; I529-R531 HydrophobicContact CG2-CG 3.96Å; I529-R531 PolarHBondContact O-N 3.43Å; I529-R531 VanDerWaalsContact O-N 3.09Å; R531-D632 PolarHBondContact NH2-O 2.87Å; R531-D635 IonicContact CZ-OD1 3.98Å; R531-D635 IonicContact NE-OD1 2.65Å; R531-D635 IonicContact NE-OD2 2.88Å; R531-D635 IonicContact NH2-OD1 2.81Å; R531-D635 PolarHBondContact NH2-OD1 2.82Å; R531-D635 IonicContact NH2-OD2 3.65Å; R531-Q823 HydrophobicContact CB-CG 3.99Å; R531-E826 VanDerWaalsContact CA-OE2 3.32Å; R531-E826 WeakPolarHBondContact CA-OE2 2.98Å; R531-E826 WeakPolarHBondContact CB-OE2 3.49Å; R531-E828 IonicContact NH1-OE1 3.47Å
532R96.4Very high87.8Confident44 Ų4487.6 Ų87.617%0.16647%0.473CS..  trans-58.5155-176.668.3-168.6-172.7174.26.4113.7L822 Q823 E826 E846R532-L822 VanDerWaalsContact CZ-O 3.23Å; R532-L822 PolarHBondContact NE-O 3.26Å; R532-L822 PolarHBondContact NH2-O 3.23Å; R532-Q823 VanDerWaalsContact O-CG 3.25Å; R532-Q823 WeakPolarHBondContact O-CG 3.33Å; R532-Q823 PolarHBondContact O-NE2 3.21Å; R532-E826 WeakPolarHBondContact CB-OE1 3.35Å; R532-E826 HydrophobicContact CG-CB 4.3Å; R532-E826 HydrophobicContact CG-CG 4.25Å; R532-E826 WeakPolarHBondContact CG-OE1 3.48Å; R532-E826 VanDerWaalsContact N-CD 3.28Å; R532-E826 PolarHBondContact N-OE1 3.08Å; R532-E826 PolarHBondContact N-OE2 3.04Å; R532-E846 IonicContact CZ-OE1 2.72Å; R532-E846 IonicContact CZ-OE2 3.42Å; R532-E846 VanDerWaalsContact NH1-CD 3.33Å; R532-E846 IonicContact NH1-OE1 3.17Å; R532-E846 PolarHBondContact NH1-OE1 3.3Å; R532-E846 IonicContact NH1-OE2 3.58Å; R532-E846 PolarHBondContact NH1-OE2 3.05Å; R532-E846 IonicContact NH2-OE1 2.69Å; R532-E846 IonicContact NH2-OE2 3.68Å; R532-E846 PolarHBondContact NH2-OE2 3.09Å
533L95.7Very high87Confident107 Ų10787 Ų8756%0.5647%0.466SS*.SBendtrans-120.42.3-179.9-59.8178.4000113.2
534S96.4Very high85.8Confident74 Ų7491.4 Ų91.452%0.51749%0.49SS..  trans-158.7165.5177.759.30000111.5
535I95.7Very high84.7Confident14 Ų1484.1 Ų84.17%0.07246%0.459CS..  trans-132.1165170.558.8176.3000109.1P569 M814 Y815 F817 L822 E846I535-P569 HydrophobicContact CD1-CG 4.44Å; I535-M814 HydrophobicContact CD1-CB 4.24Å; I535-M814 HydrophobicContact CG1-CB 3.88Å; I535-M814 HydrophobicContact CG1-CG 3.83Å; I535-M814 HydrophobicContact CG1-SD 4.16Å; I535-M814 PolarHBondContact N-SD 3.43Å; I535-Y815 HydrophobicContact CD1-CD2 4.03Å; I535-Y815 HydrophobicContact CD1-CE2 4.3Å; I535-F817 HydrophobicContact CD1-CD2 3.95Å; I535-F817 HydrophobicContact CD1-CE2 4.02Å; I535-L822 HydrophobicContact CB-CD2 4.39Å; I535-L822 HydrophobicContact CD1-CD2 4.1Å; I535-L822 HydrophobicContact CG1-CD2 3.77Å; I535-L822 HydrophobicContact CG2-CD2 4.04Å; I535-E846 HydrophobicContact CB-CG 4.47Å; I535-E846 HydrophobicContact CG2-CG 4.39Å
536P94.6Very high83.5Confident63 Ų6380.9 Ų80.941%0.40944%0.443SS..PPolyproline II helixtrans-54.2138.4174.1-26.536.3000112K538P536-K538 PolarHBondContact O-N 2.82Å
537P91.9Very high82.4Confident69 Ų6979.8 Ų79.845%0.44845%0.447SS..PPolyproline II helixtrans-66.7135-178.527.9-34.7000110.7R813P537-R813 HydrophobicContact CB-CB 4.14Å
538K89.6Confident81.2Confident76 Ų7674 Ų7433%0.3342%0.417SS..PPolyproline II helixtrans-60.8137.4-178.475.4-172.2177.264.20111.5P536 E812 R813 Y815 W850P536-K538 PolarHBondContact O-N 2.82Å; K538-E812 WeakPolarHBondContact CE-O 3.37Å; K538-R813 WeakPolarHBondContact CG-O 3.49Å; K538-R813 PolarHBondContact N-O 3.22Å; K538-Y815 HydrophobicContact CB-CD1 4.41Å; K538-Y815 HydrophobicContact CB-CD2 4.38Å; K538-Y815 HydrophobicContact CB-CE1 3.79Å; K538-Y815 HydrophobicContact CB-CE2 3.75Å; K538-Y815 VanDerWaalsContact CB-CZ 3.43Å; K538-Y815 HydrophobicContact CD-CD1 3.89Å; K538-Y815 HydrophobicContact CD-CE1 3.97Å; K538-Y815 HydrophobicContact CD-CG 4.27Å; K538-W850 HydrophobicContact CB-CZ2 4.35Å
539P84Confident79.9Confident33 Ų3369.9 Ų69.921%0.21439%0.389CS..PPolyproline II helixtrans-51.2139.4169.1-28.434.7000112.5I541 W850P539-I541 HydrophobicContact CB-CD1 3.85Å; P539-I541 HydrophobicContact CB-CG1 3.89Å; P539-I541 PolarHBondContact O-N 2.87Å; P539-W850 HydrophobicContact CB-CD2 4.29Å; P539-W850 HydrophobicContact CB-CE3 4.29Å; P539-W850 HydrophobicContact CB-CH2 4.38Å; P539-W850 HydrophobicContact CB-CZ2 4.38Å; P539-W850 HydrophobicContact CB-CZ3 4.33Å; P539-W850 HydrophobicContact CG-CD2 4Å; P539-W850 HydrophobicContact CG-CE3 4.49Å; P539-W850 HydrophobicContact CG-CG 4.29Å; P539-W850 HydrophobicContact CG-CZ2 4.26Å
540N75.1Confident78.7Confident149 Ų14971.8 Ų71.880%0.79739%0.394SS*.  trans-83.947.3178.3-162.927.3000112.3
541I67.8Low77Confident97 Ų9769.6 Ų69.650%0.49738%0.378SS..  trans-104.481.4-174-52.7173.9000109.2P539 N565 W850P539-I541 HydrophobicContact CB-CD1 3.85Å; P539-I541 HydrophobicContact CB-CG1 3.89Å; P539-I541 PolarHBondContact O-N 2.87Å; I541-N565 PolarHBondContact O-ND2 3.36Å; I541-W850 HydrophobicContact CB-CE3 4.34Å; I541-W850 HydrophobicContact CB-CZ3 3.99Å
542S63.4Low75Confident112 Ų11268.8 Ų68.878%0.78338%0.375SS*.  trans-75.1130.5176.460.40000111.7
543L64.1Low72.7Confident79 Ų7971.6 Ų71.641%0.41439%0.392SS..  trans-112.2143166.6-66.2179.3000109L545 N565 F566L543-L545 PolarHBondContact O-N 2.84Å; L543-N565 HydrophobicContact CD1-CB 3.94Å; L543-N565 HydrophobicContact CG-CB 4.28Å; L543-F566 HydrophobicContact CB-CE1 4.44Å; L543-F566 HydrophobicContact CB-CE2 3.76Å; L543-F566 HydrophobicContact CB-CZ 3.47Å; L543-F566 VanDerWaalsContact CB-CZ 3.47Å; L543-F566 HydrophobicContact CD1-CE2 4.13Å; L543-F566 VanDerWaalsContact O-CE1 3.29Å; L543-F566 WeakPolarHBondContact O-CE1 3.36Å; L543-F566 VanDerWaalsContact O-CZ 3.3Å; L543-F566 WeakPolarHBondContact O-CZ 3.49Å
544N64.4Low70.4Confident102 Ų10270.6 Ų70.655%0.54541%0.408SS..  trans-74.8115174.6-177.1-16.9000109.7W546 S547N544-W546 PolarHBondContact O-N 2.77Å; N544-W546 VanDerWaalsContact O-N 3.16Å; N544-W546 VanDerWaalsContact OD1-CB 3.32Å; N544-W546 WeakPolarHBondContact OD1-CB 3.35Å; N544-W546 PolarHBondContact OD1-N 3.06Å; N544-S547 WeakPolarHBondContact O-CB 3.46Å; N544-S547 PolarHBondContact O-N 3.15Å; N544-S547 PolarHBondContact O-OG 2.81Å
545L64.2Low68.3Low29 Ų2973.4 Ų73.415%0.15241%0.411CS..Hα-helixtrans-55-35.6-179.5-171.269.2000112.3L543 S547 I548 M549 M562 F566 I710 L715L543-L545 PolarHBondContact O-N 2.84Å; L545-S547 VanDerWaalsContact C-N 3.31Å; L545-S547 PolarHBondContact O-N 2.85Å; L545-I548 PolarHBondContact O-N 2.8Å; L545-M549 HydrophobicContact CB-CE 4.13Å; L545-M549 HydrophobicContact CD1-SD 4.39Å; L545-M549 HydrophobicContact CD2-CE 3.57Å; L545-M549 HydrophobicContact CD2-SD 3.79Å; L545-M549 HydrophobicContact CG-CE 3.45Å; L545-M549 VanDerWaalsContact CG-CE 3.45Å; L545-M549 HydrophobicContact CG-CG 4.17Å; L545-M549 HydrophobicContact CG-SD 3.74Å; L545-M549 WeakPolarHBondContact O-CG 3.4Å; L545-M549 PolarHBondContact O-N 2.97Å; L545-M562 HydrophobicContact CD1-CE 3.45Å; L545-M562 VanDerWaalsContact CD1-CE 3.45Å; L545-F566 HydrophobicContact CB-CD1 4.29Å; L545-F566 HydrophobicContact CB-CE1 3.65Å; L545-F566 HydrophobicContact CB-CZ 4.25Å; L545-F566 HydrophobicContact CD1-CD1 3.48Å; L545-F566 VanDerWaalsContact CD1-CD1 3.48Å; L545-F566 HydrophobicContact CD1-CD2 4.46Å; L545-F566 HydrophobicContact CD1-CE1 3.57Å; L545-F566 HydrophobicContact CD1-CG 3.94Å; L545-F566 HydrophobicContact CD1-CZ 4.09Å; L545-F566 HydrophobicContact CG-CD1 4.43Å; L545-F566 HydrophobicContact CG-CE1 4.2Å; L545-I710 HydrophobicContact CD2-CD1 4.48Å; L545-L715 HydrophobicContact CD2-CD1 4.07Å; L545-L715 HydrophobicContact CD2-CD2 4.29Å
546W62.9Low66Low75 Ų7577.9 Ų77.928%0.28443%0.432SS..Hα-helixtrans-65.7-29177.2-178.6-116.7000113.5N544 I548 M549 K550 I553 I711N544-W546 PolarHBondContact O-N 2.77Å; N544-W546 VanDerWaalsContact O-N 3.16Å; N544-W546 VanDerWaalsContact OD1-CB 3.32Å; N544-W546 WeakPolarHBondContact OD1-CB 3.35Å; N544-W546 PolarHBondContact OD1-N 3.06Å; W546-I548 PolarHBondContact O-N 2.75Å; W546-M549 HydrophobicContact CE3-CB 4.44Å; W546-M549 HydrophobicContact CE3-CE 4.38Å; W546-M549 PolarHBondContact O-N 2.72Å; W546-K550 HydrophobicContact CD2-CB 4.29Å; W546-K550 HydrophobicContact CZ2-CB 4.22Å; W546-K550 VanDerWaalsContact O-CB 3.28Å; W546-K550 WeakPolarHBondContact O-CB 3.49Å; W546-K550 WeakPolarHBondContact O-CG 3.49Å; W546-K550 PolarHBondContact O-N 3.09Å; W546-I553 HydrophobicContact CH2-CD1 3.62Å; W546-I553 HydrophobicContact CZ2-CD1 4.33Å; W546-I553 HydrophobicContact CZ3-CD1 4.17Å; W546-I711 HydrophobicContact CD2-CB 4.46Å; W546-I711 HydrophobicContact CD2-CG2 3.71Å; W546-I711 HydrophobicContact CE3-CB 4.22Å; W546-I711 HydrophobicContact CE3-CG1 3.97Å; W546-I711 HydrophobicContact CE3-CG2 3.89Å; W546-I711 HydrophobicContact CG-CG2 4.14Å; W546-I711 HydrophobicContact CH2-CD1 4.18Å; W546-I711 HydrophobicContact CH2-CG1 4.32Å; W546-I711 HydrophobicContact CH2-CG2 4.24Å; W546-I711 HydrophobicContact CZ2-CG2 4.1Å; W546-I711 HydrophobicContact CZ3-CB 4.46Å; W546-I711 HydrophobicContact CZ3-CD1 4.1Å; W546-I711 HydrophobicContact CZ3-CG1 3.79Å; W546-I711 HydrophobicContact CZ3-CG2 4.16Å
547S65.3Low63.7Low54 Ų5478 Ų7838%0.37843%0.429SS..Hα-helixtrans-65.9-25.6178.580.40000112.3N544 L545 K550N544-S547 WeakPolarHBondContact O-CB 3.46Å; N544-S547 PolarHBondContact O-N 3.15Å; N544-S547 PolarHBondContact O-OG 2.81Å; L545-S547 VanDerWaalsContact C-N 3.31Å; L545-S547 PolarHBondContact O-N 2.85Å; S547-K550 VanDerWaalsContact O-CE 3.26Å; S547-K550 WeakPolarHBondContact O-CE 3.28Å
548I64.2Low61.5Low31 Ų3180.2 Ų80.216%0.15944%0.441CS..Hα-helixtrans-86.6-57171.9-55.7-174.3000109.7L545 W546 K550 N551 C552 M562 P563 F566L545-I548 PolarHBondContact O-N 2.8Å; W546-I548 PolarHBondContact O-N 2.75Å; I548-K550 VanDerWaalsContact C-N 3.27Å; I548-K550 PolarHBondContact O-N 3.42Å; I548-K550 VanDerWaalsContact O-N 3.17Å; I548-N551 WeakPolarHBondContact O-CB 3.38Å; I548-N551 PolarHBondContact O-N 2.64Å; I548-C552 PolarHBondContact O-SG 2.79Å; I548-M562 HydrophobicContact CD1-CE 4.3Å; I548-M562 HydrophobicContact CG2-CE 4.5Å; I548-M562 HydrophobicContact CG2-SD 4.1Å; I548-P563 HydrophobicContact CD1-CG 3.7Å; I548-F566 HydrophobicContact CD1-CD2 4.24Å; I548-F566 HydrophobicContact CD1-CE2 3.46Å; I548-F566 VanDerWaalsContact CD1-CE2 3.46Å; I548-F566 HydrophobicContact CD1-CZ 4.15Å
549M63Low59.6Low21 Ų2183.3 Ų83.310%0.10346%0.455CS..Hα-helixtrans-62.4-27.7-172-68.5-174.5-53.400114.6L545 W546 N551 C552 I553 I710L545-M549 HydrophobicContact CB-CE 4.13Å; L545-M549 HydrophobicContact CD1-SD 4.39Å; L545-M549 HydrophobicContact CD2-CE 3.57Å; L545-M549 HydrophobicContact CD2-SD 3.79Å; L545-M549 HydrophobicContact CG-CE 3.45Å; L545-M549 VanDerWaalsContact CG-CE 3.45Å; L545-M549 HydrophobicContact CG-CG 4.17Å; L545-M549 HydrophobicContact CG-SD 3.74Å; L545-M549 WeakPolarHBondContact O-CG 3.4Å; L545-M549 PolarHBondContact O-N 2.97Å; W546-M549 HydrophobicContact CE3-CB 4.44Å; W546-M549 HydrophobicContact CE3-CE 4.38Å; W546-M549 PolarHBondContact O-N 2.72Å; M549-N551 PolarHBondContact O-N 2.84Å; M549-C552 CarbonylContact O-C 3.52Å; M549-C552 WeakPolarHBondContact O-CA 3.45Å; M549-C552 VanDerWaalsContact O-CB 3.26Å; M549-C552 WeakPolarHBondContact O-CB 3.43Å; M549-C552 PolarHBondContact O-N 2.75Å; M549-I553 PolarHBondContact O-N 2.76Å; M549-I710 HydrophobicContact CE-CB 4.45Å; M549-I710 HydrophobicContact CE-CG2 3.28Å; M549-I710 WeakPolarHBondContact CE-O 3.25Å; M549-I710 HydrophobicContact SD-CG2 3.76Å
550K64.7Low58.1Low108 Ų10883.9 Ų83.947%0.4746%0.455SS..THydrogen-bonded Turntrans-56.7-31.2173.773.8-177.4-173.3170.20112.4W546 S547 I548 C552W546-K550 HydrophobicContact CD2-CB 4.29Å; W546-K550 HydrophobicContact CZ2-CB 4.22Å; W546-K550 VanDerWaalsContact O-CB 3.28Å; W546-K550 WeakPolarHBondContact O-CB 3.49Å; W546-K550 WeakPolarHBondContact O-CG 3.49Å; W546-K550 PolarHBondContact O-N 3.09Å; S547-K550 VanDerWaalsContact O-CE 3.26Å; S547-K550 WeakPolarHBondContact O-CE 3.28Å; I548-K550 VanDerWaalsContact C-N 3.27Å; I548-K550 PolarHBondContact O-N 3.42Å; I548-K550 VanDerWaalsContact O-N 3.17Å; K550-C552 VanDerWaalsContact C-N 3.3Å
551N58.6Low57.4Low102 Ų10280.5 Ų80.555%0.54544%0.441SS..THydrogen-bonded Turntrans-83-10.9177.5-57.9-16000112.4I548 M549 K555I548-N551 WeakPolarHBondContact O-CB 3.38Å; I548-N551 PolarHBondContact O-N 2.64Å; M549-N551 PolarHBondContact O-N 2.84Å; N551-K555 PolarHBondContact O-NZ 2.76Å; N551-K555 VanDerWaalsContact O-NZ 3.1Å
552C53.3Low57.5Low5 Ų577.6 Ų77.63%0.03443%0.426CS..THydrogen-bonded Turntrans-95.1-11.8177.6-48.20000113.2I548 M549 K550 G554 K555 L557 I560I548-C552 PolarHBondContact O-SG 2.79Å; M549-C552 CarbonylContact O-C 3.52Å; M549-C552 WeakPolarHBondContact O-CA 3.45Å; M549-C552 VanDerWaalsContact O-CB 3.26Å; M549-C552 WeakPolarHBondContact O-CB 3.43Å; M549-C552 PolarHBondContact O-N 2.75Å; K550-C552 VanDerWaalsContact C-N 3.3Å; C552-G554 PolarHBondContact O-N 3.05Å; C552-K555 WeakPolarHBondContact O-CB 3.49Å; C552-K555 PolarHBondContact O-N 3.49Å; C552-L557 HydrophobicContact CB-CD2 3.94Å; C552-I560 HydrophobicContact CB-CD1 3.77Å; C552-I560 WeakPolarHBondContact SG-CD1 3.19Å
553I48.7Very low58Low103 Ų10373.9 Ų73.953%0.52840%0.399SS..THydrogen-bonded Turntrans-58.7128.4-178.7-58.1174000109.5W546 M549 K555W546-I553 HydrophobicContact CH2-CD1 3.62Å; W546-I553 HydrophobicContact CZ2-CD1 4.33Å; W546-I553 HydrophobicContact CZ3-CD1 4.17Å; M549-I553 PolarHBondContact O-N 2.76Å; I553-K555 VanDerWaalsContact C-N 3.28Å; I553-K555 PolarHBondContact O-N 2.81Å
554G46.9Very low58.9Low87 Ų8770.1 Ų70.190%0.89738%0.379SS*.THydrogen-bonded Turntrans79.41.9-175.400000115.2C552C552-G554 PolarHBondContact O-N 3.05Å
555K51.1Low59.8Low133 Ų13366.6 Ų66.658%0.57836%0.361SS*.SBendtrans-113.2155.5171.4-60.4168.6-173.5160.70109.4N551 C552 I553 L557 I560N551-K555 PolarHBondContact O-NZ 2.76Å; N551-K555 VanDerWaalsContact O-NZ 3.1Å; C552-K555 WeakPolarHBondContact O-CB 3.49Å; C552-K555 PolarHBondContact O-N 3.49Å; I553-K555 VanDerWaalsContact C-N 3.28Å; I553-K555 PolarHBondContact O-N 2.81Å; K555-L557 PolarHBondContact O-N 3.12Å; K555-I560 HydrophobicContact CB-CD1 4.49Å; K555-I560 HydrophobicContact CD-CD1 3.96Å
556E47.8Very low60.7Low107 Ų10766.7 Ų66.750%0.536%0.36SS..  trans-63.7124169.6-70.3155.2-122.200110T558 K559E556-T558 PolarHBondContact O-N 3.31Å; E556-T558 VanDerWaalsContact O-N 3.08Å; E556-K559 HydrophobicContact CB-CD 4.14Å; E556-K559 HydrophobicContact CB-CG 4.21Å; E556-K559 PolarHBondContact O-N 3.25Å; E556-K559 IonicContact OE1-NZ 2.68Å; E556-K559 PolarHBondContact OE1-NZ 3.42Å; E556-K559 WeakPolarHBondContact OE2-CD 3.46Å; E556-K559 WeakPolarHBondContact OE2-CE 3.31Å; E556-K559 IonicContact OE2-NZ 3.66Å; E556-K559 PolarHBondContact OE2-NZ 3.44Å
557L46.7Very low62Low67 Ų6763.2 Ų63.235%0.35135%0.347SS..G310 helixtrans-58.1-23.1178.9-71.8166.2000113.1C552 K555 K559 F674 L679C552-L557 HydrophobicContact CB-CD2 3.94Å; K555-L557 PolarHBondContact O-N 3.12Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 2.97Å; L557-F674 HydrophobicContact CD1-CB 4.44Å; L557-L679 HydrophobicContact CD1-CD1 4.07Å
558T46.7Very low63.4Low114 Ų11460.6 Ų60.670%0.69933%0.329SS*.G310 helixtrans-69.7-20.7175.351.20000113.9E556E556-T558 PolarHBondContact O-N 3.31Å; E556-T558 VanDerWaalsContact O-N 3.08Å
559K48.8Very low65Low142 Ų14259.1 Ų59.162%0.61732%0.321SS*.G310 helixtrans-921.6-173.6-71.8179172.9156.20114.3E556 L557E556-K559 HydrophobicContact CB-CD 4.14Å; E556-K559 HydrophobicContact CB-CG 4.21Å; E556-K559 PolarHBondContact O-N 3.25Å; E556-K559 IonicContact OE1-NZ 2.68Å; E556-K559 PolarHBondContact OE1-NZ 3.42Å; E556-K559 WeakPolarHBondContact OE2-CD 3.46Å; E556-K559 WeakPolarHBondContact OE2-CE 3.31Å; E556-K559 IonicContact OE2-NZ 3.66Å; E556-K559 PolarHBondContact OE2-NZ 3.44Å; L557-K559 VanDerWaalsContact C-N 3.29Å; L557-K559 PolarHBondContact O-N 2.97Å
560I52.6Low66.6Low45 Ų4558.1 Ų58.123%0.23132%0.317CS..SBendtrans-120120.9-179.2-69.3170.7000109.4C552 K555 M562C552-I560 HydrophobicContact CB-CD1 3.77Å; C552-I560 WeakPolarHBondContact SG-CD1 3.19Å; K555-I560 HydrophobicContact CB-CD1 4.49Å; K555-I560 HydrophobicContact CD-CD1 3.96Å; I560-M562 PolarHBondContact O-N 3.46Å; I560-M562 VanDerWaalsContact O-N 3.16Å
561P60.8Low68.2Low77 Ų7753 Ų5350%0.529%0.294SS..  trans-70.5112.3-175.727.6-33.6000110.6
562M69.3Low70Confident37 Ų3749.2 Ų49.218%0.18227%0.274CS..  trans-70.2128.5174.6-71-57.8-55.900110.7L545 I548 I560 F566 K857L545-M562 HydrophobicContact CD1-CE 3.45Å; L545-M562 VanDerWaalsContact CD1-CE 3.45Å; I548-M562 HydrophobicContact CD1-CE 4.3Å; I548-M562 HydrophobicContact CG2-CE 4.5Å; I548-M562 HydrophobicContact CG2-SD 4.1Å; I560-M562 PolarHBondContact O-N 3.46Å; I560-M562 VanDerWaalsContact O-N 3.16Å; M562-F566 HydrophobicContact CE-CB 4.09Å; M562-F566 HydrophobicContact CE-CD2 3.57Å; M562-F566 HydrophobicContact CE-CE2 4.13Å; M562-F566 HydrophobicContact CE-CG 3.8Å; M562-K857 PolarHBondContact O-NZ 2.98Å
563P73.9Confident72.2Confident33 Ų3349 Ų4921%0.21427%0.272CS..  trans-58.6151.2172.9-24.734.8000112.3I548 N565 F566I548-P563 HydrophobicContact CD1-CG 3.7Å; P563-N565 PolarHBondContact O-N 2.97Å; P563-N565 VanDerWaalsContact O-N 3.07Å; P563-F566 PolarHBondContact O-N 2.9Å
564V83.7Confident74.5Confident0 Ų044.1 Ų44.10%025%0.247CC..G310 helixtrans-61.5-18.5-179-59.30000113.7F566 S567 F621 M845 W850 A853 N854 K857V564-F566 PolarHBondContact O-N 2.89Å; V564-S567 WeakPolarHBondContact O-CB 3.25Å; V564-S567 PolarHBondContact O-N 2.88Å; V564-F621 HydrophobicContact CG1-CE1 4.21Å; V564-F621 HydrophobicContact CG1-CZ 4Å; V564-M845 HydrophobicContact CB-CE 4.49Å; V564-M845 HydrophobicContact CB-CG 4.45Å; V564-M845 HydrophobicContact CB-SD 3.87Å; V564-M845 WeakPolarHBondContact O-CE 3.34Å; V564-W850 HydrophobicContact CG2-CB 3.84Å; V564-W850 HydrophobicContact CG2-CD2 4.33Å; V564-W850 HydrophobicContact CG2-CG 3.94Å; V564-A853 HydrophobicContact CG1-CB 4.08Å; V564-A853 HydrophobicContact CG2-CB 4.24Å; V564-N854 PolarHBondContact N-OD1 3.38Å; V564-K857 HydrophobicContact CG1-CD 4.13Å
565N83.5Confident76.9Confident28 Ų2841.6 Ų41.615%0.1521%0.21CC..G310 helixtrans-54.2-25.4174.4-5465.5000114.1I541 L543 P563 W850I541-N565 PolarHBondContact O-ND2 3.36Å; L543-N565 HydrophobicContact CD1-CB 3.94Å; L543-N565 HydrophobicContact CG-CB 4.28Å; P563-N565 PolarHBondContact O-N 2.97Å; P563-N565 VanDerWaalsContact O-N 3.07Å; N565-W850 HydrophobicContact CB-CE3 4.3Å; N565-W850 HydrophobicContact CB-CZ3 3.9Å; N565-W850 WeakPolarHBondContact ND2-CZ3 3.32Å
566F82.2Confident79.1Confident31 Ų3135.4 Ų35.414%0.13618%0.183CC..G310 helixtrans-98.7-1.1177.8-60.3-79.7000113.4L543 L545 I548 M562 P563 V564 K619L543-F566 HydrophobicContact CB-CE1 4.44Å; L543-F566 HydrophobicContact CB-CE2 3.76Å; L543-F566 HydrophobicContact CB-CZ 3.47Å; L543-F566 VanDerWaalsContact CB-CZ 3.47Å; L543-F566 HydrophobicContact CD1-CE2 4.13Å; L543-F566 VanDerWaalsContact O-CE1 3.29Å; L543-F566 WeakPolarHBondContact O-CE1 3.36Å; L543-F566 VanDerWaalsContact O-CZ 3.3Å; L543-F566 WeakPolarHBondContact O-CZ 3.49Å; L545-F566 HydrophobicContact CB-CD1 4.29Å; L545-F566 HydrophobicContact CB-CE1 3.65Å; L545-F566 HydrophobicContact CB-CZ 4.25Å; L545-F566 HydrophobicContact CD1-CD1 3.48Å; L545-F566 VanDerWaalsContact CD1-CD1 3.48Å; L545-F566 HydrophobicContact CD1-CD2 4.46Å; L545-F566 HydrophobicContact CD1-CE1 3.57Å; L545-F566 HydrophobicContact CD1-CG 3.94Å; L545-F566 HydrophobicContact CD1-CZ 4.09Å; L545-F566 HydrophobicContact CG-CD1 4.43Å; L545-F566 HydrophobicContact CG-CE1 4.2Å; I548-F566 HydrophobicContact CD1-CD2 4.24Å; I548-F566 HydrophobicContact CD1-CE2 3.46Å; I548-F566 VanDerWaalsContact CD1-CE2 3.46Å; I548-F566 HydrophobicContact CD1-CZ 4.15Å; M562-F566 HydrophobicContact CE-CB 4.09Å; M562-F566 HydrophobicContact CE-CD2 3.57Å; M562-F566 HydrophobicContact CE-CE2 4.13Å; M562-F566 HydrophobicContact CE-CG 3.8Å; P563-F566 PolarHBondContact O-N 2.9Å; V564-F566 PolarHBondContact O-N 2.89Å; F566-K619 PolarHBondContact O-N 3.39Å
567S90.9Very high81.5Confident2 Ų230.3 Ų30.31%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-95.8175.7-179.9-84.70000112.7V564 N618 K619 M845V564-S567 WeakPolarHBondContact O-CB 3.25Å; V564-S567 PolarHBondContact O-N 2.88Å; S567-N618 PolarHBondContact O-ND2 3.22Å; S567-K619 WeakPolarHBondContact CA-O 3.46Å; S567-K619 WeakPolarHBondContact CB-O 3.46Å; S567-K619 PolarHBondContact OG-O 2.98Å; S567-M845 VanDerWaalsContact O-CE 3.25Å; S567-M845 WeakPolarHBondContact O-CE 3.46Å
568E94.3Very high84Confident0 Ų027.6 Ų27.60%015%0.145CC..EExtended strand (participates in β ladder)trans-125.5152.1166.649-179.4-152.800107.7L570 R575 R616 N618 K619 P620 F621 Y815 F817E568-L570 PolarHBondContact O-N 3.11Å; E568-R575 IonicContact OE1-NE 2.76Å; E568-R616 VanDerWaalsContact CD-NH2 3.27Å; E568-R616 IonicContact OE1-CZ 2.66Å; E568-R616 IonicContact OE1-NE 3.85Å; E568-R616 IonicContact OE1-NH2 2.68Å; E568-R616 PolarHBondContact OE1-NH2 2.95Å; E568-R616 IonicContact OE2-CZ 2.66Å; E568-R616 IonicContact OE2-NE 3.66Å; E568-R616 PolarHBondContact OE2-NE 3.39Å; E568-R616 IonicContact OE2-NH2 3.95Å; E568-R616 PolarHBondContact OE2-NH2 2.94Å; E568-N618 HydrophobicContact CB-CB 3.89Å; E568-N618 HydrophobicContact CG-CB 4.13Å; E568-K619 PolarHBondContact N-O 2.97Å; E568-P620 HydrophobicContact CG-CB 4.47Å; E568-F621 VanDerWaalsContact O-CD2 3.27Å; E568-F621 WeakPolarHBondContact O-CD2 3.31Å; E568-F621 VanDerWaalsContact O-CE2 3.31Å; E568-F621 WeakPolarHBondContact O-CE2 3.31Å; E568-Y815 HydrophobicContact CB-CD1 4.33Å; E568-F817 HydrophobicContact CB-CE1 3.99Å; E568-F817 HydrophobicContact CB-CZ 4.07Å
569P96.9Very high86.4Confident0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans-75.741.5-174.831.5-37.3000114.2I535 Y815 F817 Q842 M845 E846I535-P569 HydrophobicContact CD1-CG 4.44Å; P569-Y815 HydrophobicContact CG-CD2 3.89Å; P569-Y815 HydrophobicContact CG-CE2 3.65Å; P569-F817 HydrophobicContact CG-CE2 3.95Å; P569-F817 HydrophobicContact CG-CZ 3.92Å; P569-Q842 WeakPolarHBondContact O-CG 3.23Å; P569-Q842 PolarHBondContact O-NE2 3.12Å; P569-M845 HydrophobicContact CB-CG 4.45Å; P569-E846 HydrophobicContact CB-CB 3.8Å; P569-E846 HydrophobicContact CB-CG 4.27Å; P569-E846 HydrophobicContact CG-CB 4.43Å; P569-E846 HydrophobicContact CG-CG 4.46Å
570L98.1Very high88.8Confident0 Ų016 Ų160%09%0.086CC..EExtended strand (participates in β ladder)trans-130.3145.1175-66.9174.4000110.4E568 Q574 P620 F621 F817 A821 L824 N825E568-L570 PolarHBondContact O-N 3.11Å; L570-Q574 HydrophobicContact CB-CB 4.23Å; L570-Q574 HydrophobicContact CD2-CB 4.07Å; L570-Q574 HydrophobicContact CD2-CG 4.42Å; L570-P620 CarbonylContact O-C 3.57Å; L570-P620 VanDerWaalsContact O-CA 3.24Å; L570-P620 WeakPolarHBondContact O-CA 3.38Å; L570-P620 WeakPolarHBondContact O-CB 3.46Å; L570-F621 PolarHBondContact O-N 3.5Å; L570-F817 HydrophobicContact CD1-CD2 4.44Å; L570-F817 HydrophobicContact CD1-CE1 3.87Å; L570-F817 HydrophobicContact CD1-CE2 3.79Å; L570-F817 HydrophobicContact CD1-CZ 3.46Å; L570-F817 VanDerWaalsContact CD1-CZ 3.46Å; L570-F817 HydrophobicContact CD2-CE2 4.5Å; L570-F817 HydrophobicContact CG-CE1 4.44Å; L570-F817 HydrophobicContact CG-CE2 3.88Å; L570-F817 HydrophobicContact CG-CZ 3.61Å; L570-A821 HydrophobicContact CD1-CB 4.2Å; L570-L824 HydrophobicContact CD2-CB 3.95Å; L570-N825 HydrophobicContact CD2-CB 3.87Å
571S97.5Very high90.9Very high0 Ų014.2 Ų14.20%08%0.076CC..EExtended strand (participates in β ladder)trans-80.6164.7171.977.20000111.1L573 Q574 R575 F621 S836S571-L573 PolarHBondContact O-N 3.03Å; S571-L573 PolarHBondContact OG-N 3.17Å; S571-Q574 PolarHBondContact O-N 2.96Å; S571-Q574 PolarHBondContact OG-N 3.02Å; S571-R575 WeakPolarHBondContact O-CB 3.37Å; S571-R575 PolarHBondContact O-N 3.34Å; S571-F621 CarbonylContact C-O 3.59Å; S571-S836 WeakPolarHBondContact CB-OG 3.48Å; S571-S836 PolarHBondContact OG-OG 2.88Å
572M96.6Very high92.7Very high23 Ų2311.2 Ų11.211%0.1136%0.055CC..Hα-helixtrans-61.4-29.7172.9-167.669.5-131.500111.9R575 L576 P620 F621 P623 F668 M670M572-R575 HydrophobicContact CE-CB 4.06Å; M572-R575 HydrophobicContact CE-CG 3.98Å; M572-R575 PolarHBondContact O-N 2.81Å; M572-R575 HydrophobicContact SD-CB 4.44Å; M572-L576 HydrophobicContact CE-CD1 4.35Å; M572-L576 HydrophobicContact CE-CD2 3.8Å; M572-L576 HydrophobicContact CE-CG 3.75Å; M572-L576 HydrophobicContact CG-CD1 4.39Å; M572-L576 VanDerWaalsContact O-CG 3.29Å; M572-L576 WeakPolarHBondContact O-CG 3.37Å; M572-L576 PolarHBondContact O-N 3.47Å; M572-P620 HydrophobicContact SD-CG 3.8Å; M572-F621 PolarHBondContact N-O 3.26Å; M572-P623 HydrophobicContact CB-CG 3.76Å; M572-F668 HydrophobicContact CE-CD1 4.33Å; M572-F668 HydrophobicContact CE-CE1 3.63Å; M572-F668 HydrophobicContact CE-CZ 3.95Å; M572-F668 HydrophobicContact CG-CE1 4.4Å; M572-F668 HydrophobicContact SD-CE1 4.25Å; M572-M670 HydrophobicContact SD-CE 3.79Å
573L98.4Very high94.1Very high0 Ų09.5 Ų9.50%05%0.047CC..Hα-helixtrans-64.7-49.3176.5-51.9-179.5000110.5S571 R575 L576 T577 P623 E627 T628 Y629 A643 C653S571-L573 PolarHBondContact O-N 3.03Å; S571-L573 PolarHBondContact OG-N 3.17Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 3.28Å; L573-L576 PolarHBondContact O-N 3.36Å; L573-L576 VanDerWaalsContact O-N 3.14Å; L573-T577 PolarHBondContact O-N 3.24Å; L573-T577 VanDerWaalsContact O-N 3.09Å; L573-T577 PolarHBondContact O-OG1 2.87Å; L573-P623 HydrophobicContact CD1-CB 4.32Å; L573-P623 HydrophobicContact CD2-CG 4.14Å; L573-P623 HydrophobicContact CG-CB 4.13Å; L573-P623 HydrophobicContact CG-CG 3.79Å; L573-E627 HydrophobicContact CD1-CB 4.47Å; L573-E627 HydrophobicContact CD1-CG 4.26Å; L573-E627 WeakPolarHBondContact CD1-O 3.18Å; L573-T628 VanDerWaalsContact CD1-C 3.45Å; L573-Y629 HydrophobicContact CB-CG 4.49Å; L573-A643 HydrophobicContact CB-CB 4.16Å; L573-A643 HydrophobicContact CD2-CB 4.24Å; L573-C653 HydrophobicContact CD2-CB 3.83Å
574Q98.6Very high95.2Very high0 Ų010.6 Ų10.60%06%0.055CC..Hα-helixtrans-58.9-42.7172.5-75.4165.2-31.200111.6L570 S571 L576 T577 E578 Y629 L824 N825L570-Q574 HydrophobicContact CB-CB 4.23Å; L570-Q574 HydrophobicContact CD2-CB 4.07Å; L570-Q574 HydrophobicContact CD2-CG 4.42Å; S571-Q574 PolarHBondContact O-N 2.96Å; S571-Q574 PolarHBondContact OG-N 3.02Å; Q574-L576 PolarHBondContact O-N 3.43Å; Q574-T577 WeakPolarHBondContact O-CB 3.48Å; Q574-T577 PolarHBondContact O-N 3.09Å; Q574-T577 VanDerWaalsContact O-N 3.08Å; Q574-E578 PolarHBondContact O-N 2.87Å; Q574-Y629 HydrophobicContact CB-CD1 4.42Å; Q574-Y629 HydrophobicContact CB-CE1 4.34Å; Q574-Y629 HydrophobicContact CG-CD1 3.69Å; Q574-Y629 HydrophobicContact CG-CD2 3.56Å; Q574-Y629 HydrophobicContact CG-CE1 3.62Å; Q574-Y629 HydrophobicContact CG-CE2 3.48Å; Q574-Y629 VanDerWaalsContact CG-CE2 3.48Å; Q574-Y629 HydrophobicContact CG-CG 3.68Å; Q574-L824 HydrophobicContact CB-CB 4.4Å; Q574-L824 HydrophobicContact CB-CD1 4.14Å; Q574-L824 HydrophobicContact CG-CB 4.28Å; Q574-L824 PolarHBondContact NE2-O 3.31Å; Q574-L824 VanDerWaalsContact NE2-O 3.15Å; Q574-L824 VanDerWaalsContact O-CD1 3.3Å; Q574-L824 WeakPolarHBondContact O-CD1 3.44Å; Q574-N825 PolarHBondContact NE2-OD1 3.2Å; Q574-N825 VanDerWaalsContact NE2-OD1 3.17Å
575R97Very high95.9Very high35 Ų3510.8 Ų10.813%0.1326%0.057CC..Hα-helixtrans-62.2-25.3177.8-169.959.8174.9136.46.7113.4E568 S571 M572 L573 E578 T612 R616 P620E568-R575 IonicContact OE1-NE 2.76Å; S571-R575 WeakPolarHBondContact O-CB 3.37Å; S571-R575 PolarHBondContact O-N 3.34Å; M572-R575 HydrophobicContact CE-CB 4.06Å; M572-R575 HydrophobicContact CE-CG 3.98Å; M572-R575 PolarHBondContact O-N 2.81Å; M572-R575 HydrophobicContact SD-CB 4.44Å; L573-R575 VanDerWaalsContact C-N 3.32Å; L573-R575 PolarHBondContact O-N 3.28Å; R575-E578 WeakPolarHBondContact CD-OE1 3.43Å; R575-E578 IonicContact CZ-OE1 2.9Å; R575-E578 IonicContact NE-OE1 2.87Å; R575-E578 IonicContact NH1-OE1 3.93Å; R575-E578 PolarHBondContact NH1-OE1 3.18Å; R575-E578 IonicContact NH1-OE2 3.73Å; R575-E578 PolarHBondContact NH1-OE2 3.16Å; R575-T612 PolarHBondContact NH1-OG1 3.43Å; R575-T612 PolarHBondContact NH2-OG1 2.94Å; R575-R616 VanDerWaalsContact CD-NH2 3.34Å; R575-P620 HydrophobicContact CB-CB 4.18Å; R575-P620 HydrophobicContact CB-CG 4.25Å; R575-P620 HydrophobicContact CG-CB 4.48Å; R575-P620 HydrophobicContact CG-CG 4.15Å
576L97.5Very high96.6Very high2 Ų29.5 Ų9.51%0.015%0.05CC..Hα-helixtrans-84.5-30.4173.6-68.6166.7000112.5M572 L573 Q574 E578 D579 C653 L655 F666 F668M572-L576 HydrophobicContact CE-CD1 4.35Å; M572-L576 HydrophobicContact CE-CD2 3.8Å; M572-L576 HydrophobicContact CE-CG 3.75Å; M572-L576 HydrophobicContact CG-CD1 4.39Å; M572-L576 VanDerWaalsContact O-CG 3.29Å; M572-L576 WeakPolarHBondContact O-CG 3.37Å; M572-L576 PolarHBondContact O-N 3.47Å; L573-L576 PolarHBondContact O-N 3.36Å; L573-L576 VanDerWaalsContact O-N 3.14Å; Q574-L576 PolarHBondContact O-N 3.43Å; L576-E578 PolarHBondContact O-N 3.19Å; L576-D579 WeakPolarHBondContact O-CB 3.43Å; L576-D579 PolarHBondContact O-N 2.99Å; L576-C653 HydrophobicContact CD1-CB 3.75Å; L576-L655 HydrophobicContact CB-CD1 3.88Å; L576-F666 HydrophobicContact CB-CE2 4.02Å; L576-F666 HydrophobicContact CB-CZ 4.12Å; L576-F666 HydrophobicContact CD1-CE2 4.2Å; L576-F666 HydrophobicContact CD2-CE2 3.94Å; L576-F666 HydrophobicContact CD2-CZ 4.37Å; L576-F666 HydrophobicContact CG-CE2 4.26Å; L576-F668 HydrophobicContact CD1-CB 3.89Å; L576-F668 HydrophobicContact CD1-CD1 3.8Å; L576-F668 HydrophobicContact CD1-CG 3.94Å; L576-F668 HydrophobicContact CD2-CB 4.19Å; L576-F668 HydrophobicContact CD2-CD1 3.93Å; L576-F668 HydrophobicContact CD2-CD2 3.78Å; L576-F668 HydrophobicContact CD2-CE1 4.25Å; L576-F668 HydrophobicContact CD2-CE2 4.09Å; L576-F668 HydrophobicContact CD2-CG 3.69Å; L576-F668 HydrophobicContact CD2-CZ 4.32Å; L576-F668 HydrophobicContact CG-CD1 4.39Å; L576-F668 HydrophobicContact CG-CG 4.45Å
577T98.4Very high97.4Very high0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-64.6-23.5171-54.20000112.7L573 Q574 D579 F580 Y629 C631 W639 L824L573-T577 PolarHBondContact O-N 3.24Å; L573-T577 VanDerWaalsContact O-N 3.09Å; L573-T577 PolarHBondContact O-OG1 2.87Å; Q574-T577 WeakPolarHBondContact O-CB 3.48Å; Q574-T577 PolarHBondContact O-N 3.09Å; Q574-T577 VanDerWaalsContact O-N 3.08Å; T577-D579 PolarHBondContact O-N 3.07Å; T577-F580 PolarHBondContact O-N 3.38Å; T577-F580 VanDerWaalsContact O-N 3.11Å; T577-Y629 HydrophobicContact CG2-CE1 4.14Å; T577-Y629 WeakPolarHBondContact OG1-CD1 3.36Å; T577-Y629 WeakPolarHBondContact OG1-CE1 3.42Å; T577-C631 HydrophobicContact CG2-CB 3.78Å; T577-W639 HydrophobicContact CG2-CH2 3.89Å; T577-W639 HydrophobicContact CG2-CZ3 4.12Å; T577-L824 HydrophobicContact CG2-CD2 4.06Å
578E98.1Very high97.7Very high11 Ų1115.7 Ų15.75%0.0518%0.081CC..G310 helixtrans-61.6-19.2172.9-67.4-172.5-111.500114.4Q574 R575 L576 F580 E581 R616 L824Q574-E578 PolarHBondContact O-N 2.87Å; R575-E578 WeakPolarHBondContact CD-OE1 3.43Å; R575-E578 IonicContact CZ-OE1 2.9Å; R575-E578 IonicContact NE-OE1 2.87Å; R575-E578 IonicContact NH1-OE1 3.93Å; R575-E578 PolarHBondContact NH1-OE1 3.18Å; R575-E578 IonicContact NH1-OE2 3.73Å; R575-E578 PolarHBondContact NH1-OE2 3.16Å; L576-E578 PolarHBondContact O-N 3.19Å; E578-F580 PolarHBondContact O-N 2.91Å; E578-E581 PolarHBondContact O-N 2.82Å; E578-E581 VanDerWaalsContact O-N 3.13Å; E578-R616 IonicContact OE1-CZ 3.5Å; E578-R616 VanDerWaalsContact OE1-CZ 3.31Å; E578-R616 IonicContact OE1-NH1 2.68Å; E578-R616 PolarHBondContact OE1-NH1 3.4Å; E578-R616 IonicContact OE1-NH2 3.03Å; E578-R616 PolarHBondContact OE1-NH2 2.91Å; E578-R616 IonicContact OE2-CZ 3.59Å; E578-R616 IonicContact OE2-NH1 2.73Å; E578-R616 PolarHBondContact OE2-NH1 3.04Å; E578-R616 IonicContact OE2-NH2 2.74Å; E578-L824 HydrophobicContact CG-CD1 3.52Å
579D97.6Very high97.9Very high13 Ų1315.7 Ų15.77%0.078%0.081CC..G310 helixtrans-52.9-28.9170.9-73.4-10.8000111.8L576 T577 F605 A609 F666 K702L576-D579 WeakPolarHBondContact O-CB 3.43Å; L576-D579 PolarHBondContact O-N 2.99Å; T577-D579 PolarHBondContact O-N 3.07Å; D579-F605 WeakPolarHBondContact O-CE2 3.35Å; D579-A609 HydrophobicContact CB-CB 4.48Å; D579-F666 WeakPolarHBondContact OD2-CE1 3.39Å; D579-F666 VanDerWaalsContact OD2-CZ 3.26Å; D579-F666 WeakPolarHBondContact OD2-CZ 3.24Å; D579-K702 IonicContact OD1-NZ 3.45Å; D579-K702 PolarHBondContact OD1-NZ 3.48Å; D579-K702 WeakPolarHBondContact OD2-CE 3.44Å; D579-K702 IonicContact OD2-NZ 3.91Å; D579-K702 PolarHBondContact OD2-NZ 3.38Å
580F98.3Very high98Very high0 Ų016.2 Ų16.20%09%0.085CC..G310 helixtrans-92.79.8-175.6-58.7-85.3000114.4T577 E578 Y582 S583 F605 W639 L655 C657 W662 C664 F666T577-F580 PolarHBondContact O-N 3.38Å; T577-F580 VanDerWaalsContact O-N 3.11Å; E578-F580 PolarHBondContact O-N 2.91Å; F580-Y582 PolarHBondContact O-N 3.4Å; F580-S583 WeakPolarHBondContact O-CB 3.3Å; F580-S583 PolarHBondContact O-N 3.48Å; F580-S583 VanDerWaalsContact O-N 3.16Å; F580-F605 HydrophobicContact CD1-CE2 4.1Å; F580-F605 AromaticContact CD1-CZ 3.95Å; F580-F605 HydrophobicContact CD1-CZ 3.95Å; F580-F605 HydrophobicContact CE1-CE2 4.4Å; F580-F605 AromaticContact CE1-CZ 3.81Å; F580-F605 HydrophobicContact CE1-CZ 3.81Å; F580-F605 HydrophobicContact CZ-CZ 4.4Å; F580-W639 HydrophobicContact CB-CD2 4.38Å; F580-W639 HydrophobicContact CB-CH2 4.02Å; F580-W639 HydrophobicContact CB-CZ2 3.49Å; F580-W639 VanDerWaalsContact CB-CZ2 3.49Å; F580-L655 HydrophobicContact CE2-CD2 3.6Å; F580-L655 HydrophobicContact CZ-CD2 4.03Å; F580-C657 HydrophobicContact CD1-CB 4.16Å; F580-C657 HydrophobicContact CD2-CB 4.24Å; F580-C657 HydrophobicContact CE1-CB 3.66Å; F580-C657 HydrophobicContact CE2-CB 3.77Å; F580-C657 HydrophobicContact CG-CB 4.44Å; F580-C657 HydrophobicContact CZ-CB 3.46Å; F580-C657 VanDerWaalsContact CZ-CB 3.46Å; F580-W662 HydrophobicContact CD1-CH2 4.02Å; F580-W662 HydrophobicContact CD1-CZ3 4.17Å; F580-W662 HydrophobicContact CE1-CH2 4.34Å; F580-W662 HydrophobicContact CE1-CZ3 4.02Å; F580-C664 HydrophobicContact CE1-CB 3.85Å; F580-C664 HydrophobicContact CZ-CB 4Å; F580-F666 HydrophobicContact CE2-CE1 4.21Å; F580-F666 HydrophobicContact CZ-CE1 4.3Å
581E97.8Very high97.9Very high7 Ų719.8 Ų19.83%0.03311%0.114CC..G310 helixtrans-58.3-31.1173.7-171.8168.6147.700112.6E578 F637 N805 T818 L820E578-E581 PolarHBondContact O-N 2.82Å; E578-E581 VanDerWaalsContact O-N 3.13Å; E581-F637 VanDerWaalsContact O-CE1 3.32Å; E581-F637 WeakPolarHBondContact O-CE1 3.3Å; E581-N805 PolarHBondContact OE1-ND2 2.81Å; E581-T818 WeakPolarHBondContact OE1-CB 3.1Å; E581-T818 WeakPolarHBondContact OE2-CB 3.4Å; E581-T818 WeakPolarHBondContact OE2-CG2 3.27Å; E581-T818 PolarHBondContact OE2-OG1 2.96Å; E581-L820 HydrophobicContact CB-CB 4.46Å; E581-L820 HydrophobicContact CB-CD2 3.77Å; E581-L820 HydrophobicContact CG-CB 4.1Å; E581-L820 HydrophobicContact CG-CD2 4.28Å
582Y98.3Very high97.9Very high13 Ų1320.3 Ų20.35%0.05112%0.118CC..G310 helixtrans-11335.6178.7-53.4-84.3000111.7F580 S584 C585 W802 Q803 N805F580-Y582 PolarHBondContact O-N 3.4Å; Y582-S584 PolarHBondContact O-N 3.45Å; Y582-C585 WeakPolarHBondContact O-CB 3.23Å; Y582-C585 PolarHBondContact O-N 2.91Å; Y582-C585 PolarHBondContact O-SG 2.85Å; Y582-W802 AromaticContact CD1-CD1 3.46Å; Y582-W802 VanDerWaalsContact CD1-CD1 3.46Å; Y582-W802 AromaticContact CD1-NE1 3.05Å; Y582-W802 AromaticContact CD2-NE1 3.56Å; Y582-W802 AromaticContact CE1-NE1 3.24Å; Y582-W802 HydrophobicContact CE2-CZ2 4.37Å; Y582-W802 AromaticContact CE2-NE1 3.75Å; Y582-W802 AromaticContact CG-CD1 3.62Å; Y582-W802 AromaticContact CG-NE1 3.21Å; Y582-W802 AromaticContact CZ-NE1 3.6Å; Y582-Q803 WeakPolarHBondContact CE1-O 3.48Å; Y582-N805 HydrophobicContact CE1-CB 4.36Å; Y582-N805 VanDerWaalsContact CE1-ND2 3.3Å; Y582-N805 WeakPolarHBondContact CE1-ND2 3.18Å; Y582-N805 PolarHBondContact OH-N 3.29Å; Y582-N805 PolarHBondContact OH-ND2 3.32Å
583S98.2Very high97.8Very high1 Ų128.5 Ų28.51%0.00716%0.156CC..THydrogen-bonded Turntrans-53-25.6175.466.10000113.6F580 C585 L586 D587 W639F580-S583 WeakPolarHBondContact O-CB 3.3Å; F580-S583 PolarHBondContact O-N 3.48Å; F580-S583 VanDerWaalsContact O-N 3.16Å; S583-C585 PolarHBondContact O-N 2.83Å; S583-C585 VanDerWaalsContact O-N 3.11Å; S583-L586 WeakPolarHBondContact O-CA 3.33Å; S583-L586 VanDerWaalsContact O-CB 3.26Å; S583-L586 WeakPolarHBondContact O-CB 3.38Å; S583-L586 PolarHBondContact O-N 2.94Å; S583-D587 PolarHBondContact O-N 3.03Å; S583-W639 VanDerWaalsContact CB-CD1 3.44Å; S583-W639 VanDerWaalsContact CB-NE1 3.26Å; S583-W639 VanDerWaalsContact OG-CD1 3.22Å; S583-W639 PolarHBondContact OG-NE1 3.29Å
584S97.7Very high97.7Very high56 Ų5631.2 Ų31.239%0.39217%0.171SC..Hα-helixtrans-53.9-27.2172.856.30000113.2Y582 L586 D587 H588Y582-S584 PolarHBondContact O-N 3.45Å; S584-L586 VanDerWaalsContact C-N 3.29Å; S584-L586 PolarHBondContact O-N 3.34Å; S584-D587 WeakPolarHBondContact CA-OD2 3.23Å; S584-D587 PolarHBondContact O-N 2.88Å; S584-H588 PolarHBondContact O-N 2.81Å; S584-H588 PolarHBondContact O-ND1 2.82Å
585C98.4Very high97.7Very high5 Ų532.4 Ų32.43%0.03418%0.179CC..Hα-helixtrans-60.3-40.3170.9-58.40000111.3Y582 S583 A589 F605Y582-C585 WeakPolarHBondContact O-CB 3.23Å; Y582-C585 PolarHBondContact O-N 2.91Å; Y582-C585 PolarHBondContact O-SG 2.85Å; S583-C585 PolarHBondContact O-N 2.83Å; S583-C585 VanDerWaalsContact O-N 3.11Å; C585-A589 WeakPolarHBondContact O-CB 3.46Å; C585-A589 PolarHBondContact O-N 2.88Å; C585-F605 HydrophobicContact CB-CB 3.96Å
586L98.7Very high97.7Very high0 Ų031.2 Ų31.20%018%0.175CC..Hα-helixtrans-71.3-32.7176.2-55.1-177.3000112S583 S584 A589 A590 F605 W662 L689 F691S583-L586 WeakPolarHBondContact O-CA 3.33Å; S583-L586 VanDerWaalsContact O-CB 3.26Å; S583-L586 WeakPolarHBondContact O-CB 3.38Å; S583-L586 PolarHBondContact O-N 2.94Å; S584-L586 VanDerWaalsContact C-N 3.29Å; S584-L586 PolarHBondContact O-N 3.34Å; L586-A589 WeakPolarHBondContact O-CB 3.39Å; L586-A589 PolarHBondContact O-N 3.21Å; L586-A590 WeakPolarHBondContact O-CB 3.47Å; L586-A590 PolarHBondContact O-N 3.49Å; L586-F605 HydrophobicContact CD1-CD1 4.29Å; L586-F605 HydrophobicContact CD1-CD2 4.01Å; L586-F605 HydrophobicContact CD1-CE1 4.12Å; L586-F605 HydrophobicContact CD1-CE2 3.84Å; L586-F605 HydrophobicContact CD1-CG 4.23Å; L586-F605 HydrophobicContact CD1-CZ 3.91Å; L586-F605 HydrophobicContact CD2-CB 3.75Å; L586-F605 HydrophobicContact CD2-CD1 3.78Å; L586-F605 HydrophobicContact CD2-CD2 4.08Å; L586-F605 HydrophobicContact CD2-CE1 4.4Å; L586-F605 HydrophobicContact CD2-CG 3.59Å; L586-F605 HydrophobicContact CG-CB 4.31Å; L586-F605 HydrophobicContact CG-CD1 4.28Å; L586-F605 HydrophobicContact CG-CD2 3.8Å; L586-F605 HydrophobicContact CG-CE2 4.16Å; L586-F605 HydrophobicContact CG-CG 3.87Å; L586-W662 HydrophobicContact CB-CD2 3.97Å; L586-W662 HydrophobicContact CB-CG 4.04Å; L586-W662 HydrophobicContact CB-CZ2 4.33Å; L586-W662 HydrophobicContact CD1-CD2 3.84Å; L586-W662 HydrophobicContact CD1-CE3 3.79Å; L586-W662 HydrophobicContact CD1-CH2 4.12Å; L586-W662 HydrophobicContact CD1-CZ2 4.14Å; L586-W662 HydrophobicContact CD1-CZ3 3.94Å; L586-L689 HydrophobicContact CD1-CD1 3.99Å; L586-L689 HydrophobicContact CD2-CD1 4.26Å; L586-L689 HydrophobicContact CD2-CD2 3.62Å; L586-F691 WeakPolarHBondContact O-CE1 3.42Å
587D97.9Very high97.7Very high60 Ų6033.2 Ų33.232%0.32119%0.185SC..Hα-helixtrans-68.4-40.4175.5-58.1-47.6000111.6S583 S584 A590 A591 W662S583-D587 PolarHBondContact O-N 3.03Å; S584-D587 WeakPolarHBondContact CA-OD2 3.23Å; S584-D587 PolarHBondContact O-N 2.88Å; D587-A590 PolarHBondContact O-N 3.17Å; D587-A591 PolarHBondContact O-N 3.34Å; D587-W662 PolarHBondContact OD1-NE1 2.77Å
588H97.8Very high97.7Very high103 Ų10333.3 Ų33.348%0.47719%0.185SC..Hα-helixtrans-64.5-44.9170.4-7087.9000111.4S584 A590 A591 C592 Y601S584-H588 PolarHBondContact O-N 2.81Å; S584-H588 PolarHBondContact O-ND1 2.82Å; H588-A590 VanDerWaalsContact C-N 3.26Å; H588-A590 PolarHBondContact O-N 3.03Å; H588-A591 WeakPolarHBondContact O-CB 3.35Å; H588-A591 PolarHBondContact O-N 2.86Å; H588-C592 PolarHBondContact O-N 3Å; H588-C592 VanDerWaalsContact O-N 3.13Å; H588-C592 PolarHBondContact O-SG 2.83Å; H588-C592 VanDerWaalsContact O-SG 3.33Å; H588-Y601 HydrophobicContact CB-CD1 3.74Å; H588-Y601 HydrophobicContact CB-CD2 4.44Å; H588-Y601 HydrophobicContact CB-CE1 3.64Å; H588-Y601 HydrophobicContact CB-CE2 4.35Å; H588-Y601 HydrophobicContact CB-CG 4.15Å
589A98.4Very high97.7Very high0 Ų032.8 Ų32.80%018%0.183CC..Hα-helixtrans-56.7-39.5174.100000112.1C585 L586 A591 C592 Q598 V602 F691C585-A589 WeakPolarHBondContact O-CB 3.46Å; C585-A589 PolarHBondContact O-N 2.88Å; L586-A589 WeakPolarHBondContact O-CB 3.39Å; L586-A589 PolarHBondContact O-N 3.21Å; A589-A591 VanDerWaalsContact C-N 3.27Å; A589-A591 PolarHBondContact O-N 3.42Å; A589-C592 WeakPolarHBondContact O-CB 3.28Å; A589-C592 PolarHBondContact O-N 2.8Å; A589-Q598 HydrophobicContact CB-CG 4.08Å; A589-Q598 WeakPolarHBondContact O-CG 3.39Å; A589-Q598 PolarHBondContact O-NE2 2.98Å; A589-V602 HydrophobicContact CB-CG2 4.32Å; A589-F691 HydrophobicContact CB-CE1 3.74Å; A589-F691 HydrophobicContact CB-CE2 4.45Å; A589-F691 HydrophobicContact CB-CZ 3.45Å; A589-F691 VanDerWaalsContact CB-CZ 3.45Å
590A98.1Very high97.7Very high11 Ų1132.2 Ų32.29%0.09118%0.179CC..Hα-helixtrans-69.5-22.4177.200000113.4L586 D587 H588 A661 F691 R693L586-A590 WeakPolarHBondContact O-CB 3.47Å; L586-A590 PolarHBondContact O-N 3.49Å; D587-A590 PolarHBondContact O-N 3.17Å; H588-A590 VanDerWaalsContact C-N 3.26Å; H588-A590 PolarHBondContact O-N 3.03Å; A590-A661 HydrophobicContact CB-CB 3.81Å; A590-F691 HydrophobicContact CB-CD1 3.7Å; A590-F691 HydrophobicContact CB-CE1 3.94Å; A590-R693 PolarHBondContact O-NE 3.15Å; A590-R693 VanDerWaalsContact O-NE 3.09Å; A590-R693 PolarHBondContact O-NH2 3.3Å
591A97.3Very high97.7Very high75 Ų7534 Ų3462%0.6219%0.187SC*.Hα-helixtrans-84.4-24173.900000113.6D587 H588 A589D587-A591 PolarHBondContact O-N 3.34Å; H588-A591 WeakPolarHBondContact O-CB 3.35Å; H588-A591 PolarHBondContact O-N 2.86Å; A589-A591 VanDerWaalsContact C-N 3.27Å; A589-A591 PolarHBondContact O-N 3.42Å
592C96.7Very high97.8Very high12 Ų1233.7 Ų33.78%0.08119%0.185CC..  trans-56.4137.7179.8-68.70000113.2H588 A589 Q598 R693H588-C592 PolarHBondContact O-N 3Å; H588-C592 VanDerWaalsContact O-N 3.13Å; H588-C592 PolarHBondContact O-SG 2.83Å; H588-C592 VanDerWaalsContact O-SG 3.33Å; A589-C592 WeakPolarHBondContact O-CB 3.28Å; A589-C592 PolarHBondContact O-N 2.8Å; C592-Q598 HydrophobicContact CB-CB 3.91Å; C592-R693 PolarHBondContact O-NH2 3.28Å
593Q95.4Very high97.8Very high194 Ų19433.1 Ų33.191%0.90718%0.183SC*.SBendtrans-90.6-32.3172.9-63.3-175.18.500112.2
594D96Very high97.8Very high58 Ų5833 Ų3331%0.3118%0.182SC..SBendtrans-85.4136.2172.1172.340.6000111L596 E597 Q598D594-L596 PolarHBondContact OD1-N 3.29Å; D594-L596 WeakPolarHBondContact OD2-CB 3.4Å; D594-E597 HydrophobicContact CB-CB 4.19Å; D594-E597 PolarHBondContact OD2-N 3.32Å; D594-Q598 WeakPolarHBondContact O-CB 3.34Å; D594-Q598 PolarHBondContact O-N 2.82Å
595S97.4Very high97.9Very high25 Ų2530.6 Ų30.618%0.17517%0.165CC..Hα-helixtrans-77.1-24.6179.846.20000113M599 Y698 E732S595-M599 WeakPolarHBondContact O-CB 3.25Å; S595-M599 PolarHBondContact O-N 2.86Å; S595-Y698 PolarHBondContact O-OH 2.97Å; S595-E732 WeakPolarHBondContact CB-OE1 3.48Å; S595-E732 WeakPolarHBondContact CB-OE2 3.27Å; S595-E732 VanDerWaalsContact OG-CD 3.31Å; S595-E732 PolarHBondContact OG-OE1 3.17Å; S595-E732 PolarHBondContact OG-OE2 3.46Å
596L97.7Very high97.9Very high10 Ų1030.6 Ų30.65%0.05216%0.164CC..Hα-helixtrans-75.7-41.5175-58.5160.8000111.3D594 M599 A600 E732 V756 D758 R764 Y765D594-L596 PolarHBondContact OD1-N 3.29Å; D594-L596 WeakPolarHBondContact OD2-CB 3.4Å; L596-M599 WeakPolarHBondContact O-CB 2.65Å; L596-M599 PolarHBondContact O-N 2.95Å; L596-A600 PolarHBondContact O-N 3.05Å; L596-A600 VanDerWaalsContact O-N 3.09Å; L596-E732 HydrophobicContact CD2-CB 4.27Å; L596-E732 HydrophobicContact CD2-CG 3.79Å; L596-E732 WeakPolarHBondContact CG-OE1 3.47Å; L596-V756 HydrophobicContact CB-CG1 4.13Å; L596-V756 HydrophobicContact CD2-CG1 3.78Å; L596-D758 HydrophobicContact CD1-CB 4.29Å; L596-D758 HydrophobicContact CD2-CB 3.77Å; L596-R764 HydrophobicContact CD1-CB 4.02Å; L596-R764 HydrophobicContact CD1-CG 3.86Å; L596-R764 HydrophobicContact CD2-CG 4.34Å; L596-Y765 HydrophobicContact CB-CD2 4.08Å; L596-Y765 HydrophobicContact CB-CE2 3.74Å
597E97.1Very high97.9Very high44 Ų4430.6 Ų30.621%0.20616%0.164CC..Hα-helixtrans-66.6-38.6170-169.2164.6-115.500111.9D594 M599 A600 Y601 Y765 Y777 R799D594-E597 HydrophobicContact CB-CB 4.19Å; D594-E597 PolarHBondContact OD2-N 3.32Å; E597-M599 VanDerWaalsContact C-N 3.33Å; E597-M599 PolarHBondContact O-N 3.44Å; E597-A600 WeakPolarHBondContact O-CB 3.46Å; E597-A600 PolarHBondContact O-N 3.25Å; E597-A600 VanDerWaalsContact O-N 3.11Å; E597-Y601 HydrophobicContact CG-CD2 4.4Å; E597-Y601 HydrophobicContact CG-CE2 4.22Å; E597-Y601 WeakPolarHBondContact O-CD2 2.71Å; E597-Y601 PolarHBondContact O-N 2.8Å; E597-Y765 HydrophobicContact CB-CE2 4.49Å; E597-Y777 HydrophobicContact CG-CE2 4.09Å; E597-Y777 PolarHBondContact OE1-OH 2.9Å; E597-R799 IonicContact OE1-NH1 3.08Å
598Q98.2Very high97.9Very high2 Ų227.8 Ų27.81%0.00915%0.15CC..Hα-helixtrans-56.7-45.8170.4-179.217086.100111.5A589 C592 D594 A600 Y601 V602 F691 H696 Y698A589-Q598 HydrophobicContact CB-CG 4.08Å; A589-Q598 WeakPolarHBondContact O-CG 3.39Å; A589-Q598 PolarHBondContact O-NE2 2.98Å; C592-Q598 HydrophobicContact CB-CB 3.91Å; D594-Q598 WeakPolarHBondContact O-CB 3.34Å; D594-Q598 PolarHBondContact O-N 2.82Å; Q598-A600 VanDerWaalsContact C-N 3.29Å; Q598-A600 PolarHBondContact O-N 3.3Å; Q598-Y601 PolarHBondContact O-N 3.34Å; Q598-V602 WeakPolarHBondContact O-CG2 3.41Å; Q598-V602 PolarHBondContact O-N 3.3Å; Q598-F691 HydrophobicContact CG-CD2 4.28Å; Q598-F691 HydrophobicContact CG-CE2 3.87Å; Q598-F691 HydrophobicContact CG-CZ 4.23Å; Q598-H696 PolarHBondContact OE1-ND1 2.74Å; Q598-Y698 HydrophobicContact CG-CE2 4.35Å; Q598-Y698 WeakPolarHBondContact CG-OH 3.41Å; Q598-Y698 PolarHBondContact OE1-OH 3.46Å
599M98.5Very high97.9Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-60.3-35.1175.5176.866.986.300112.5S595 L596 E597 V602 A603 Y698 I725 N727 E732 C734 V756S595-M599 WeakPolarHBondContact O-CB 3.25Å; S595-M599 PolarHBondContact O-N 2.86Å; L596-M599 WeakPolarHBondContact O-CB 2.65Å; L596-M599 PolarHBondContact O-N 2.95Å; E597-M599 VanDerWaalsContact C-N 3.33Å; E597-M599 PolarHBondContact O-N 3.44Å; M599-V602 PolarHBondContact O-N 2.93Å; M599-A603 PolarHBondContact O-N 3.43Å; M599-Y698 HydrophobicContact CB-CE1 4.02Å; M599-Y698 HydrophobicContact CE-CD1 3.77Å; M599-Y698 HydrophobicContact CE-CE1 3.54Å; M599-Y698 HydrophobicContact CG-CE1 4.41Å; M599-Y698 HydrophobicContact SD-CD1 3.8Å; M599-Y698 HydrophobicContact SD-CE1 3.61Å; M599-I725 HydrophobicContact CE-CG2 4.47Å; M599-I725 WeakPolarHBondContact CE-O 3.23Å; M599-I725 HydrophobicContact SD-CB 3.95Å; M599-I725 HydrophobicContact SD-CG2 3.75Å; M599-N727 HydrophobicContact CE-CB 3.86Å; M599-E732 HydrophobicContact CE-CB 4.43Å; M599-E732 WeakPolarHBondContact CE-O 3.38Å; M599-C734 HydrophobicContact CG-CB 3.69Å; M599-C734 HydrophobicContact SD-CB 3.65Å; M599-V756 HydrophobicContact CB-CG1 4.12Å; M599-V756 HydrophobicContact CG-CG1 3.85Å; M599-V756 HydrophobicContact CG-CG2 4.14Å
600A98.4Very high97.8Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-64.8-44.3176.200000111.9L596 E597 Q598 A603 A604 V756 Y777 L801L596-A600 PolarHBondContact O-N 3.05Å; L596-A600 VanDerWaalsContact O-N 3.09Å; E597-A600 WeakPolarHBondContact O-CB 3.46Å; E597-A600 PolarHBondContact O-N 3.25Å; E597-A600 VanDerWaalsContact O-N 3.11Å; Q598-A600 VanDerWaalsContact C-N 3.29Å; Q598-A600 PolarHBondContact O-N 3.3Å; A600-A603 WeakPolarHBondContact O-CB 3.31Å; A600-A603 PolarHBondContact O-N 2.87Å; A600-A604 PolarHBondContact O-N 3.21Å; A600-V756 HydrophobicContact CB-CG2 4.25Å; A600-Y777 HydrophobicContact CB-CD2 3.94Å; A600-Y777 HydrophobicContact CB-CE2 4.48Å; A600-Y777 HydrophobicContact CB-CG 4.47Å; A600-L801 HydrophobicContact CB-CD1 4.13Å; A600-L801 HydrophobicContact CB-CD2 4.4Å; A600-L801 WeakPolarHBondContact O-CD1 3.46Å
601Y98.6Very high97.8Very high39 Ų3924.3 Ų24.315%0.15314%0.136CC..Hα-helixtrans-67.2-34.9174.3-80.4-76.1000113.4H588 E597 Q598 A603 A604 F605 L801H588-Y601 HydrophobicContact CB-CD1 3.74Å; H588-Y601 HydrophobicContact CB-CD2 4.44Å; H588-Y601 HydrophobicContact CB-CE1 3.64Å; H588-Y601 HydrophobicContact CB-CE2 4.35Å; H588-Y601 HydrophobicContact CB-CG 4.15Å; E597-Y601 HydrophobicContact CG-CD2 4.4Å; E597-Y601 HydrophobicContact CG-CE2 4.22Å; E597-Y601 WeakPolarHBondContact O-CD2 2.71Å; E597-Y601 PolarHBondContact O-N 2.8Å; Q598-Y601 PolarHBondContact O-N 3.34Å; Y601-A603 VanDerWaalsContact C-N 3.32Å; Y601-A604 PolarHBondContact O-N 3.03Å; Y601-F605 PolarHBondContact O-N 3.41Å; Y601-L801 HydrophobicContact CD1-CD2 3.77Å; Y601-L801 HydrophobicContact CD2-CD2 4.08Å; Y601-L801 HydrophobicContact CE1-CD2 3.69Å; Y601-L801 HydrophobicContact CE2-CD2 4.01Å; Y601-L801 HydrophobicContact CG-CD2 3.96Å
602V98.8Very high97.7Very high0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-61.9-41.6170.61750000110.5A589 Q598 M599 A604 F605 T606 L689 F691 Y698 I725A589-V602 HydrophobicContact CB-CG2 4.32Å; Q598-V602 WeakPolarHBondContact O-CG2 3.41Å; Q598-V602 PolarHBondContact O-N 3.3Å; M599-V602 PolarHBondContact O-N 2.93Å; V602-A604 PolarHBondContact O-N 3.36Å; V602-F605 WeakPolarHBondContact O-CB 3.45Å; V602-F605 PolarHBondContact O-N 2.81Å; V602-T606 WeakPolarHBondContact O-CG2 3.4Å; V602-T606 PolarHBondContact O-N 3.24Å; V602-L689 HydrophobicContact CG1-CD2 3.96Å; V602-L689 HydrophobicContact CG2-CD2 3.75Å; V602-F691 HydrophobicContact CG2-CE2 3.76Å; V602-F691 HydrophobicContact CG2-CZ 3.76Å; V602-Y698 HydrophobicContact CB-CD1 4.4Å; V602-Y698 HydrophobicContact CG1-CD1 4.1Å; V602-Y698 HydrophobicContact CG1-CG 4.38Å; V602-Y698 HydrophobicContact CG2-CD1 4.22Å; V602-Y698 HydrophobicContact CG2-CE1 4.21Å; V602-Y698 HydrophobicContact CG2-CG 4.4Å; V602-I725 HydrophobicContact CG1-CG2 3.93Å
603A98.8Very high97.6Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-61.1-42175.200000112.5M599 A600 Y601 F605 T606 V607 I725 C734 L736 L767M599-A603 PolarHBondContact O-N 3.43Å; A600-A603 WeakPolarHBondContact O-CB 3.31Å; A600-A603 PolarHBondContact O-N 2.87Å; Y601-A603 VanDerWaalsContact C-N 3.32Å; A603-F605 PolarHBondContact O-N 2.98Å; A603-T606 PolarHBondContact O-N 2.83Å; A603-T606 PolarHBondContact O-OG1 2.95Å; A603-V607 WeakPolarHBondContact O-CG2 3.03Å; A603-V607 PolarHBondContact O-N 2.64Å; A603-I725 HydrophobicContact CB-CD1 3.81Å; A603-C734 HydrophobicContact CB-CB 4.48Å; A603-L736 HydrophobicContact CB-CD1 4.25Å; A603-L736 HydrophobicContact CB-CD2 4.38Å; A603-L767 HydrophobicContact CB-CD2 3.81Å
604A98.7Very high97.4Very high0 Ų013.4 Ų13.40%08%0.077CC..Hα-helixtrans-60.2-42.417400000113.1A600 Y601 V602 T606 V607 S608 L775 L801 W802A600-A604 PolarHBondContact O-N 3.21Å; Y601-A604 PolarHBondContact O-N 3.03Å; V602-A604 PolarHBondContact O-N 3.36Å; A604-T606 PolarHBondContact O-N 3.46Å; A604-V607 PolarHBondContact O-N 3.43Å; A604-S608 WeakPolarHBondContact O-CB 3.36Å; A604-S608 PolarHBondContact O-N 3.11Å; A604-L775 HydrophobicContact CB-CD2 4.08Å; A604-L801 HydrophobicContact CB-CB 3.59Å; A604-L801 HydrophobicContact CB-CD1 4.09Å; A604-L801 HydrophobicContact CB-CG 4.44Å; A604-W802 HydrophobicContact CB-CB 3.95Å
605F98.7Very high97.2Very high5 Ų513.5 Ų13.52%0.0228%0.08CC..Hα-helixtrans-55.9-49.7171.5174.3-105.6000111.5D579 F580 C585 L586 Y601 V602 A603 V607 S608 W700D579-F605 WeakPolarHBondContact O-CE2 3.35Å; F580-F605 HydrophobicContact CD1-CE2 4.1Å; F580-F605 AromaticContact CD1-CZ 3.95Å; F580-F605 HydrophobicContact CD1-CZ 3.95Å; F580-F605 HydrophobicContact CE1-CE2 4.4Å; F580-F605 AromaticContact CE1-CZ 3.81Å; F580-F605 HydrophobicContact CE1-CZ 3.81Å; F580-F605 HydrophobicContact CZ-CZ 4.4Å; C585-F605 HydrophobicContact CB-CB 3.96Å; L586-F605 HydrophobicContact CD1-CD1 4.29Å; L586-F605 HydrophobicContact CD1-CD2 4.01Å; L586-F605 HydrophobicContact CD1-CE1 4.12Å; L586-F605 HydrophobicContact CD1-CE2 3.84Å; L586-F605 HydrophobicContact CD1-CG 4.23Å; L586-F605 HydrophobicContact CD1-CZ 3.91Å; L586-F605 HydrophobicContact CD2-CB 3.75Å; L586-F605 HydrophobicContact CD2-CD1 3.78Å; L586-F605 HydrophobicContact CD2-CD2 4.08Å; L586-F605 HydrophobicContact CD2-CE1 4.4Å; L586-F605 HydrophobicContact CD2-CG 3.59Å; L586-F605 HydrophobicContact CG-CB 4.31Å; L586-F605 HydrophobicContact CG-CD1 4.28Å; L586-F605 HydrophobicContact CG-CD2 3.8Å; L586-F605 HydrophobicContact CG-CE2 4.16Å; L586-F605 HydrophobicContact CG-CG 3.87Å; Y601-F605 PolarHBondContact O-N 3.41Å; V602-F605 WeakPolarHBondContact O-CB 3.45Å; V602-F605 PolarHBondContact O-N 2.81Å; A603-F605 PolarHBondContact O-N 2.98Å; F605-V607 VanDerWaalsContact C-N 3.33Å; F605-V607 PolarHBondContact O-N 3.49Å; F605-S608 PolarHBondContact O-N 2.65Å; F605-S608 PolarHBondContact O-OG 3.38Å; F605-W700 HydrophobicContact CD1-CH2 4.28Å; F605-W700 HydrophobicContact CD1-CZ2 4.27Å; F605-W700 AromaticContact CE1-CH2 3.97Å; F605-W700 HydrophobicContact CE1-CH2 3.97Å; F605-W700 AromaticContact CE1-CZ2 3.92Å; F605-W700 HydrophobicContact CE1-CZ2 3.92Å
606T98.5Very high97Very high4 Ų412.6 Ų12.63%0.0257%0.073CC..Hα-helixtrans-63.7-33.1-179.768.70000114.2V602 A603 A604 Y610 W700 M723 I725V602-T606 WeakPolarHBondContact O-CG2 3.4Å; V602-T606 PolarHBondContact O-N 3.24Å; A603-T606 PolarHBondContact O-N 2.83Å; A603-T606 PolarHBondContact O-OG1 2.95Å; A604-T606 PolarHBondContact O-N 3.46Å; T606-Y610 WeakPolarHBondContact O-CD2 3.22Å; T606-Y610 VanDerWaalsContact O-CE2 3.24Å; T606-Y610 WeakPolarHBondContact O-CE2 3.42Å; T606-W700 HydrophobicContact CG2-CD2 3.65Å; T606-W700 VanDerWaalsContact CG2-CE2 3.44Å; T606-W700 HydrophobicContact CG2-CE3 4.26Å; T606-W700 HydrophobicContact CG2-CG 3.91Å; T606-W700 HydrophobicContact CG2-CZ2 3.93Å; T606-M723 HydrophobicContact CG2-SD 4.38Å; T606-I725 HydrophobicContact CG2-CD1 3.77Å; T606-I725 HydrophobicContact CG2-CG1 4.46Å
607V98.6Very high96.6Very high0 Ų014.5 Ų14.50%09%0.085CC..Hα-helixtrans-71.7-42175.7173.70000111A603 A604 F605 A609 Y610 L736 Y738 V752 W771 L775 W802A603-V607 WeakPolarHBondContact O-CG2 3.03Å; A603-V607 PolarHBondContact O-N 2.64Å; A604-V607 PolarHBondContact O-N 3.43Å; F605-V607 VanDerWaalsContact C-N 3.33Å; F605-V607 PolarHBondContact O-N 3.49Å; V607-A609 PolarHBondContact O-N 3.17Å; V607-Y610 PolarHBondContact O-N 3.41Å; V607-Y610 VanDerWaalsContact O-N 3.1Å; V607-L736 HydrophobicContact CG2-CD1 3.93Å; V607-Y738 WeakPolarHBondContact CG2-OH 3.43Å; V607-V752 HydrophobicContact CG1-CG2 4.37Å; V607-V752 HydrophobicContact CG2-CG1 4.12Å; V607-W771 HydrophobicContact CG1-CB 3.97Å; V607-L775 HydrophobicContact CB-CD2 4.22Å; V607-L775 HydrophobicContact CG2-CD2 3.92Å; V607-W802 HydrophobicContact CG1-CZ3 4.32Å
608S98.3Very high96.2Very high2 Ų214.9 Ų14.91%0.0149%0.089CC..Hα-helixtrans-58.9-31.3-174.775.40000114A604 F605 Y610 A611A604-S608 WeakPolarHBondContact O-CB 3.36Å; A604-S608 PolarHBondContact O-N 3.11Å; F605-S608 PolarHBondContact O-N 2.65Å; F605-S608 PolarHBondContact O-OG 3.38Å; S608-Y610 PolarHBondContact O-N 3.43Å; S608-Y610 VanDerWaalsContact O-N 3.12Å; S608-A611 WeakPolarHBondContact O-CB 3.42Å; S608-A611 PolarHBondContact O-N 2.87Å; S608-A611 VanDerWaalsContact O-N 3.11Å
609A97.5Very high95.8Very high24 Ų2420.3 Ų20.320%0.19811%0.112CC..THydrogen-bonded Turntrans-58.8-23.9177.800000113.9D579 V607D579-A609 HydrophobicContact CB-CB 4.48Å; V607-A609 PolarHBondContact O-N 3.17Å
610Y97.5Very high95.6Very high10 Ų1021.2 Ų21.24%0.03912%0.118CC..THydrogen-bonded Turntrans-86.9-15.7179.7-61.6-87.5000113.6T606 V607 S608 T612 T613 K702 I703 N719 M723 Y738T606-Y610 WeakPolarHBondContact O-CD2 3.22Å; T606-Y610 VanDerWaalsContact O-CE2 3.24Å; T606-Y610 WeakPolarHBondContact O-CE2 3.42Å; V607-Y610 PolarHBondContact O-N 3.41Å; V607-Y610 VanDerWaalsContact O-N 3.1Å; S608-Y610 PolarHBondContact O-N 3.43Å; S608-Y610 VanDerWaalsContact O-N 3.12Å; Y610-T612 PolarHBondContact O-N 2.93Å; Y610-T613 WeakPolarHBondContact O-CB 3.42Å; Y610-T613 WeakPolarHBondContact O-CG2 3.35Å; Y610-T613 PolarHBondContact O-N 2.76Å; Y610-T613 PolarHBondContact O-OG1 2.82Å; Y610-K702 VanDerWaalsContact OH-CA 3.31Å; Y610-K702 WeakPolarHBondContact OH-CA 3.47Å; Y610-K702 WeakPolarHBondContact OH-CB 3.1Å; Y610-I703 HydrophobicContact CD1-CG1 4.49Å; Y610-I703 HydrophobicContact CE1-CD1 4.36Å; Y610-I703 HydrophobicContact CE1-CG1 3.66Å; Y610-I703 HydrophobicContact CE2-CG1 4.36Å; Y610-I703 PolarHBondContact OH-N 2.94Å; Y610-N719 HydrophobicContact CD1-CB 4.22Å; Y610-M723 HydrophobicContact CE2-CE 3.96Å; Y610-M723 WeakPolarHBondContact OH-CE 3.45Å; Y610-Y738 HydrophobicContact CD2-CE1 4.01Å; Y610-Y738 HydrophobicContact CE2-CE1 4.3Å; Y610-Y738 HydrophobicContact CG-CE1 4.49Å
611A97.1Very high95.4Very high6 Ų621.3 Ų21.35%0.0512%0.118CC..G310 helixtrans-55.5-45-168.200000114.1S608 T613 A614 W771 W802S608-A611 WeakPolarHBondContact O-CB 3.42Å; S608-A611 PolarHBondContact O-N 2.87Å; S608-A611 VanDerWaalsContact O-N 3.11Å; A611-T613 PolarHBondContact O-N 2.89Å; A611-T613 VanDerWaalsContact O-N 3.15Å; A611-A614 WeakPolarHBondContact O-CB 3.3Å; A611-A614 PolarHBondContact O-N 2.73Å; A611-W771 WeakPolarHBondContact CA-O 3.29Å; A611-W771 WeakPolarHBondContact CB-O 3.26Å; A611-W771 PolarHBondContact N-O 3.14Å; A611-W802 HydrophobicContact CB-CH2 3.79Å; A611-W802 HydrophobicContact CB-CZ2 3.71Å
612T94.3Very high95.1Very high15 Ų1522.5 Ų22.59%0.09213%0.128CC..G310 helixtrans-63.7-21.6-179.563.10000113.6R575 Y610 A614 V615 R616 T818R575-T612 PolarHBondContact NH1-OG1 3.43Å; R575-T612 PolarHBondContact NH2-OG1 2.94Å; Y610-T612 PolarHBondContact O-N 2.93Å; T612-A614 PolarHBondContact O-N 2.85Å; T612-V615 WeakPolarHBondContact O-CG2 3.49Å; T612-V615 PolarHBondContact O-N 3.1Å; T612-R616 WeakPolarHBondContact O-CB 3.22Å; T612-R616 PolarHBondContact O-N 3.03Å; T612-R616 VanDerWaalsContact O-N 3.11Å; T612-T818 HydrophobicContact CG2-CG2 3.65Å
613T94.8Very high94.9Very high11 Ų1122.5 Ų22.57%0.06713%0.128CC..G310 helixtrans-69.9-17.3179.270.30000113.2Y610 A611 V615 L705 N719 W771Y610-T613 WeakPolarHBondContact O-CB 3.42Å; Y610-T613 WeakPolarHBondContact O-CG2 3.35Å; Y610-T613 PolarHBondContact O-N 2.76Å; Y610-T613 PolarHBondContact O-OG1 2.82Å; A611-T613 PolarHBondContact O-N 2.89Å; A611-T613 VanDerWaalsContact O-N 3.15Å; T613-V615 PolarHBondContact O-N 2.88Å; T613-L705 HydrophobicContact CG2-CD2 4.17Å; T613-N719 PolarHBondContact OG1-ND2 3.43Å; T613-W771 WeakPolarHBondContact OG1-CZ3 3.26Å
614A92.9Very high94.8Very high26 Ų2622.7 Ų22.722%0.21513%0.129CC..G310 helixtrans-60.1-28.1175.400000112.6A611 T612 W771 D772A611-A614 WeakPolarHBondContact O-CB 3.3Å; A611-A614 PolarHBondContact O-N 2.73Å; T612-A614 PolarHBondContact O-N 2.85Å; A614-W771 HydrophobicContact CB-CH2 4.32Å; A614-W771 HydrophobicContact CB-CZ3 3.75Å; A614-D772 HydrophobicContact CB-CB 3.87Å
615V91.5Very high94.6Very high61 Ų6124.5 Ų24.537%0.3714%0.138SC..THydrogen-bonded Turntrans-123.1-19.2-173.5-66.50000114.3T612 T613 L807 C816T612-V615 WeakPolarHBondContact O-CG2 3.49Å; T612-V615 PolarHBondContact O-N 3.1Å; T613-V615 PolarHBondContact O-N 2.88Å; V615-L807 HydrophobicContact CG2-CD1 4.35Å; V615-C816 HydrophobicContact CB-CB 3.96Å; V615-C816 HydrophobicContact CG2-CB 3.78Å
616R93.2Very high94.4Very high6 Ų624.6 Ų24.62%0.02314%0.14CC..  trans-104.399.7-179.3-79.917061.8-164.8-7.4112.7E568 R575 E578 T612 I717 Y815 C816E568-R616 VanDerWaalsContact CD-NH2 3.27Å; E568-R616 IonicContact OE1-CZ 2.66Å; E568-R616 IonicContact OE1-NE 3.85Å; E568-R616 IonicContact OE1-NH2 2.68Å; E568-R616 PolarHBondContact OE1-NH2 2.95Å; E568-R616 IonicContact OE2-CZ 2.66Å; E568-R616 IonicContact OE2-NE 3.66Å; E568-R616 PolarHBondContact OE2-NE 3.39Å; E568-R616 IonicContact OE2-NH2 3.95Å; E568-R616 PolarHBondContact OE2-NH2 2.94Å; R575-R616 VanDerWaalsContact CD-NH2 3.34Å; E578-R616 IonicContact OE1-CZ 3.5Å; E578-R616 VanDerWaalsContact OE1-CZ 3.31Å; E578-R616 IonicContact OE1-NH1 2.68Å; E578-R616 PolarHBondContact OE1-NH1 3.4Å; E578-R616 IonicContact OE1-NH2 3.03Å; E578-R616 PolarHBondContact OE1-NH2 2.91Å; E578-R616 IonicContact OE2-CZ 3.59Å; E578-R616 IonicContact OE2-NH1 2.73Å; E578-R616 PolarHBondContact OE2-NH1 3.04Å; E578-R616 IonicContact OE2-NH2 2.74Å; T612-R616 WeakPolarHBondContact O-CB 3.22Å; T612-R616 PolarHBondContact O-N 3.03Å; T612-R616 VanDerWaalsContact O-N 3.11Å; R616-I717 WeakPolarHBondContact O-CD1 3.27Å; R616-Y815 WeakPolarHBondContact CD-O 3.48Å; R616-Y815 VanDerWaalsContact CG-O 3.22Å; R616-Y815 WeakPolarHBondContact CG-O 3.42Å; R616-C816 WeakPolarHBondContact CD-O 3.32Å; R616-C816 HydrophobicContact CG-CB 3.93Å
617T88.1Confident94.4Very high49 Ų4924.4 Ų24.430%0.30114%0.139SC..  trans-97.3-2.3173.556.10000113.7L715 I717T617-L715 HydrophobicContact CG2-CB 3.98Å; T617-I717 HydrophobicContact CG2-CG1 4.31Å
618N89.2Confident94.4Very high53 Ų5324.4 Ų24.428%0.28314%0.139SC..SBendtrans-78.1149.2-178.8-75.660.9000111S567 E568S567-N618 PolarHBondContact O-ND2 3.22Å; E568-N618 HydrophobicContact CB-CB 3.89Å; E568-N618 HydrophobicContact CG-CB 4.13Å
619K88.8Confident94.4Very high115 Ų11524.3 Ų24.350%0.514%0.138SC..EExtended strand (participates in β ladder)trans-91.1119.6-175.4-169.5-164.1169.8178.30111.4F566 S567 E568F566-K619 PolarHBondContact O-N 3.39Å; S567-K619 WeakPolarHBondContact CA-O 3.46Å; S567-K619 WeakPolarHBondContact CB-O 3.46Å; S567-K619 PolarHBondContact OG-O 2.98Å; E568-K619 PolarHBondContact N-O 2.97Å
620P94.3Very high94.4Very high20 Ų2023.2 Ų23.213%0.1313%0.129CC..EExtended strand (participates in β ladder)trans-59155.8171.127.8-37.1000111.4E568 L570 M572 R575 N622E568-P620 HydrophobicContact CG-CB 4.47Å; L570-P620 CarbonylContact O-C 3.57Å; L570-P620 VanDerWaalsContact O-CA 3.24Å; L570-P620 WeakPolarHBondContact O-CA 3.38Å; L570-P620 WeakPolarHBondContact O-CB 3.46Å; M572-P620 HydrophobicContact SD-CG 3.8Å; R575-P620 HydrophobicContact CB-CB 4.18Å; R575-P620 HydrophobicContact CB-CG 4.25Å; R575-P620 HydrophobicContact CG-CB 4.48Å; R575-P620 HydrophobicContact CG-CG 4.15Å; P620-N622 PolarHBondContact O-N 3.07Å
621F94.4Very high94.4Very high1 Ų122.8 Ų22.80%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-61.4132.3174.2-77.1-100.4000109.8V564 E568 L570 S571 M572 P623 D841 Q842 M845 K857V564-F621 HydrophobicContact CG1-CE1 4.21Å; V564-F621 HydrophobicContact CG1-CZ 4Å; E568-F621 VanDerWaalsContact O-CD2 3.27Å; E568-F621 WeakPolarHBondContact O-CD2 3.31Å; E568-F621 VanDerWaalsContact O-CE2 3.31Å; E568-F621 WeakPolarHBondContact O-CE2 3.31Å; L570-F621 PolarHBondContact O-N 3.5Å; S571-F621 CarbonylContact C-O 3.59Å; M572-F621 PolarHBondContact N-O 3.26Å; F621-P623 VanDerWaalsContact O-CD 3.29Å; F621-P623 WeakPolarHBondContact O-CD 3.47Å; F621-D841 WeakPolarHBondContact CD1-OD2 3.24Å; F621-D841 HydrophobicContact CE1-CB 4.19Å; F621-D841 VanDerWaalsContact CE1-OD2 3.25Å; F621-D841 WeakPolarHBondContact CE1-OD2 3.31Å; F621-Q842 HydrophobicContact CD2-CB 4.17Å; F621-Q842 HydrophobicContact CD2-CG 3.9Å; F621-Q842 HydrophobicContact CE2-CB 4.17Å; F621-Q842 HydrophobicContact CE2-CG 4.02Å; F621-Q842 HydrophobicContact CG-CB 4.45Å; F621-Q842 HydrophobicContact CZ-CB 4.43Å; F621-M845 HydrophobicContact CE2-CB 4.39Å; F621-M845 HydrophobicContact CE2-SD 3.55Å; F621-M845 VanDerWaalsContact CE2-SD 3.55Å; F621-M845 HydrophobicContact CZ-CB 4.14Å; F621-M845 HydrophobicContact CZ-SD 3.71Å; F621-K857 HydrophobicContact CE1-CD 4.25Å
622N92.7Very high94.4Very high65 Ų6523.6 Ų23.635%0.34813%0.131SC..PPolyproline II helixtrans-70.1119171.7-169.244.5000107.6P620 H648 R839P620-N622 PolarHBondContact O-N 3.07Å; N622-H648 PolarHBondContact ND2-CE1 3.1Å; N622-R839 PolarHBondContact O-NH1 3.32Å
623P95.7Very high94.5Very high0 Ų023 Ų230%013%0.127CC..PPolyproline II helixtrans-66.5151.8-175.7-19.332.9000111.6M572 L573 F621 E627 Q645 H648M572-P623 HydrophobicContact CB-CG 3.76Å; L573-P623 HydrophobicContact CD1-CB 4.32Å; L573-P623 HydrophobicContact CD2-CG 4.14Å; L573-P623 HydrophobicContact CG-CB 4.13Å; L573-P623 HydrophobicContact CG-CG 3.79Å; F621-P623 VanDerWaalsContact O-CD 3.29Å; F621-P623 WeakPolarHBondContact O-CD 3.47Å; P623-E627 VanDerWaalsContact CA-OE2 3.25Å; P623-E627 WeakPolarHBondContact CA-OE2 3.4Å; P623-E627 HydrophobicContact CB-CB 3.96Å; P623-E627 HydrophobicContact CB-CG 4.21Å; P623-Q645 HydrophobicContact CB-CB 3.91Å; P623-Q645 HydrophobicContact CB-CG 3.94Å; P623-Q645 VanDerWaalsContact CB-OE1 3.28Å; P623-H648 PolarHBondContact O-CE1 3.38Å; P623-H648 PolarHBondContact O-ND1 2.89Å
624L95.1Very high94.6Very high4 Ų422.7 Ų22.72%0.02113%0.125CC..PPolyproline II helixtrans-73154.9172.8-55.1179.4000110.1G626 E627 Q645 L860 I961 Y962L624-G626 PolarHBondContact O-N 3.05Å; L624-E627 HydrophobicContact CB-CB 4.18Å; L624-E627 PolarHBondContact N-OE2 3.28Å; L624-E627 WeakPolarHBondContact O-CB 3.45Å; L624-E627 PolarHBondContact O-N 3.36Å; L624-Q645 WeakPolarHBondContact O-CB 3.34Å; L624-Q645 VanDerWaalsContact O-CG 3.3Å; L624-Q645 WeakPolarHBondContact O-CG 3.25Å; L624-L860 HydrophobicContact CD1-CB 4.21Å; L624-L860 HydrophobicContact CD1-CD1 4.45Å; L624-L860 HydrophobicContact CD1-CD2 4.14Å; L624-L860 HydrophobicContact CD2-CB 4.45Å; L624-I961 WeakPolarHBondContact CD1-O 3.45Å; L624-Y962 HydrophobicContact CD1-CD1 3.92Å; L624-Y962 HydrophobicContact CD1-CE1 3.98Å
625L94.5Very high94.6Very high38 Ų3821.7 Ų21.720%0.19912%0.116CC..THydrogen-bonded Turntrans-61.9122.6175-173.867000109.9E627 H648 H922L625-E627 VanDerWaalsContact C-N 3.3Å; L625-H648 HydrophobicContact CB-CB 4.24Å; L625-H648 HydrophobicContact CD1-CB 4.17Å; L625-H922 HydrophobicContact CD2-CB 4.12Å
626G95.5Very high94.8Very high6 Ų622.4 Ų22.46%0.06212%0.118CC..THydrogen-bonded Turntrans75.111.5-170.800000115.1L624 Q645 T834L624-G626 PolarHBondContact O-N 3.05Å; G626-Q645 PolarHBondContact N-O 2.79Å; G626-T834 WeakPolarHBondContact O-CB 3.21Å
627E98.2Very high94.9Very high0 Ų025 Ų250%013%0.13CC..  trans-65.8141.6162.1-170.1175.7143.700109.4L573 P623 L624 L625 E644 Q645 S836 R839 I961L573-E627 HydrophobicContact CD1-CB 4.47Å; L573-E627 HydrophobicContact CD1-CG 4.26Å; L573-E627 WeakPolarHBondContact CD1-O 3.18Å; P623-E627 VanDerWaalsContact CA-OE2 3.25Å; P623-E627 WeakPolarHBondContact CA-OE2 3.4Å; P623-E627 HydrophobicContact CB-CB 3.96Å; P623-E627 HydrophobicContact CB-CG 4.21Å; L624-E627 HydrophobicContact CB-CB 4.18Å; L624-E627 PolarHBondContact N-OE2 3.28Å; L624-E627 WeakPolarHBondContact O-CB 3.45Å; L624-E627 PolarHBondContact O-N 3.36Å; L625-E627 VanDerWaalsContact C-N 3.3Å; E627-E644 WeakPolarHBondContact O-CA 3.27Å; E627-Q645 HydrophobicContact CB-CB 4.48Å; E627-Q645 PolarHBondContact O-N 3.41Å; E627-S836 PolarHBondContact OE1-OG 2.89Å; E627-R839 IonicContact OE1-NH1 2.76Å; E627-R839 IonicContact OE2-CZ 3.64Å; E627-R839 IonicContact OE2-NH1 3.77Å; E627-R839 PolarHBondContact OE2-NH1 3.43Å; E627-I961 VanDerWaalsContact CA-CD1 3.42Å; E627-I961 HydrophobicContact CB-CD1 3.82Å; E627-I961 HydrophobicContact CG-CD1 4.2Å
628T98.5Very high95.3Very high1 Ų124.1 Ų24.11%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-125.8165.3-17856.90000110.8L573 F642 A643 E644 C832 T834 D835 S836L573-T628 VanDerWaalsContact CD1-C 3.45Å; T628-F642 HydrophobicContact CG2-CE2 4.35Å; T628-F642 HydrophobicContact CG2-CZ 3.67Å; T628-A643 CarbonylContact C-O 3.55Å; T628-A643 WeakPolarHBondContact CA-O 3.42Å; T628-A643 WeakPolarHBondContact CB-O 3.49Å; T628-E644 HydrophobicContact CG2-CB 4.25Å; T628-E644 HydrophobicContact CG2-CG 4.09Å; T628-C832 PolarHBondContact OG1-SG 2.82Å; T628-T834 PolarHBondContact N-O 2.79Å; T628-T834 VanDerWaalsContact OG1-C 3.24Å; T628-T834 WeakPolarHBondContact OG1-CB 3.39Å; T628-T834 PolarHBondContact OG1-O 3.39Å; T628-T834 PolarHBondContact OG1-OG1 3.09Å; T628-D835 CarbonylContact O-C 3.59Å; T628-D835 VanDerWaalsContact O-CA 3.26Å; T628-D835 WeakPolarHBondContact O-CA 3.32Å; T628-D835 PolarHBondContact OG1-N 3.21Å; T628-S836 PolarHBondContact O-N 3.47Å; T628-S836 PolarHBondContact O-OG 3.18Å
629Y98.7Very high95.7Very high0 Ų021.6 Ų21.60%012%0.116CC..EExtended strand (participates in β ladder)trans-150.3124.9168.7178.8-113.2000110.9L573 Q574 T577 C631 F642 A643 L824 D835L573-Y629 HydrophobicContact CB-CG 4.49Å; Q574-Y629 HydrophobicContact CB-CD1 4.42Å; Q574-Y629 HydrophobicContact CB-CE1 4.34Å; Q574-Y629 HydrophobicContact CG-CD1 3.69Å; Q574-Y629 HydrophobicContact CG-CD2 3.56Å; Q574-Y629 HydrophobicContact CG-CE1 3.62Å; Q574-Y629 HydrophobicContact CG-CE2 3.48Å; Q574-Y629 VanDerWaalsContact CG-CE2 3.48Å; Q574-Y629 HydrophobicContact CG-CG 3.68Å; T577-Y629 HydrophobicContact CG2-CE1 4.14Å; T577-Y629 WeakPolarHBondContact OG1-CD1 3.36Å; T577-Y629 WeakPolarHBondContact OG1-CE1 3.42Å; Y629-C631 HydrophobicContact CE1-CB 3.73Å; Y629-C631 PolarHBondContact OH-SG 3.4Å; Y629-F642 CarbonylContact O-C 3.59Å; Y629-F642 WeakPolarHBondContact O-CA 3.31Å; Y629-A643 PolarHBondContact N-O 3.25Å; Y629-A643 PolarHBondContact O-N 2.66Å; Y629-L824 HydrophobicContact CE1-CD2 4.33Å; Y629-L824 VanDerWaalsContact CE2-O 3.24Å; Y629-L824 WeakPolarHBondContact CE2-O 3.26Å; Y629-L824 VanDerWaalsContact OH-CA 3.31Å; Y629-L824 WeakPolarHBondContact OH-CA 3.38Å; Y629-L824 WeakPolarHBondContact OH-CD2 3.39Å; Y629-L824 PolarHBondContact OH-O 3.45Å; Y629-D835 WeakPolarHBondContact CA-OD2 3.49Å
630E98.1Very high96.1Very high0 Ų017.9 Ų17.90%010%0.099CC..EExtended strand (participates in β ladder)trans-102.6148.316959.4151.7-124.100112.8S641 F642 V831 D835 R837 Y946 W947 K950E630-S641 WeakPolarHBondContact CA-O 3.31Å; E630-F642 HydrophobicContact CB-CD2 4.11Å; E630-V831 HydrophobicContact CG-CG1 4.38Å; E630-D835 WeakPolarHBondContact CG-OD2 3.33Å; E630-D835 PolarHBondContact N-OD2 2.89Å; E630-R837 VanDerWaalsContact O-CZ 3.27Å; E630-R837 PolarHBondContact O-NH1 3.31Å; E630-R837 PolarHBondContact O-NH2 2.77Å; E630-Y946 HydrophobicContact CB-CE1 3.84Å; E630-Y946 HydrophobicContact CG-CE1 4.37Å; E630-Y946 WeakPolarHBondContact CG-OH 3.41Å; E630-Y946 VanDerWaalsContact OE2-CE1 3.27Å; E630-Y946 WeakPolarHBondContact OE2-CE1 3.36Å; E630-Y946 PolarHBondContact OE2-OH 2.92Å; E630-W947 HydrophobicContact CB-CH2 4.28Å; E630-W947 HydrophobicContact CB-CZ3 4.48Å; E630-K950 IonicContact OE1-NZ 3.69Å; E630-K950 PolarHBondContact OE1-NZ 3.1Å; E630-K950 VanDerWaalsContact OE2-CD 3.32Å; E630-K950 WeakPolarHBondContact OE2-CD 3.5Å; E630-K950 WeakPolarHBondContact OE2-CE 3.42Å; E630-K950 IonicContact OE2-NZ 3.53Å; E630-K950 PolarHBondContact OE2-NZ 3.5Å
631C97.6Very high96.3Very high2 Ų217 Ų171%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-146.1101.3170.7-160.70000109.9T577 Y629 W639 R640 S641T577-C631 HydrophobicContact CG2-CB 3.78Å; Y629-C631 HydrophobicContact CE1-CB 3.73Å; Y629-C631 PolarHBondContact OH-SG 3.4Å; C631-W639 HydrophobicContact CB-CZ3 4.18Å; C631-W639 WeakPolarHBondContact O-CZ3 3.48Å; C631-R640 CarbonylContact O-C 3.49Å; C631-R640 WeakPolarHBondContact O-CA 3.44Å; C631-S641 PolarHBondContact N-O 2.95Å; C631-S641 PolarHBondContact O-N 2.88Å
632D96.1Very high96.5Very high22 Ų2217 Ų1712%0.1189%0.093CC..EExtended strand (participates in β ladder)trans-95.8113.3174.5-177.6-27.6000109.4R526 R531 T634 R640R526-D632 VanDerWaalsContact CD-OD1 3.31Å; R526-D632 WeakPolarHBondContact CD-OD1 3.48Å; R526-D632 VanDerWaalsContact CD-OD2 3.31Å; R526-D632 WeakPolarHBondContact CD-OD2 3.39Å; R526-D632 PolarHBondContact NH1-O 2.9Å; R531-D632 PolarHBondContact NH2-O 2.87Å; D632-T634 VanDerWaalsContact OD1-CB 3.31Å; D632-T634 WeakPolarHBondContact OD1-CB 3.42Å; D632-T634 VanDerWaalsContact OD1-CG2 3.24Å; D632-T634 WeakPolarHBondContact OD1-CG2 3.46Å; D632-T634 PolarHBondContact OD1-N 3.13Å; D632-T634 PolarHBondContact OD1-OG1 2.81Å; D632-R640 HydrophobicContact CB-CB 4.21Å
633R96.7Very high96.8Very high3 Ų313.9 Ų13.91%0.0118%0.077CC..  trans-116.724.9177.6-57.8-55.7-65.8-124.24.1111.4D635 D636 F637 G638 W639 L820R633-D635 PolarHBondContact O-N 2.96Å; R633-D635 VanDerWaalsContact O-N 3.15Å; R633-D636 IonicContact CZ-OD1 3.69Å; R633-D636 IonicContact CZ-OD2 3.32Å; R633-D636 IonicContact NE-OD1 3.6Å; R633-D636 PolarHBondContact NE-OD1 3.38Å; R633-D636 IonicContact NE-OD2 3.83Å; R633-D636 IonicContact NH2-OD1 2.77Å; R633-D636 PolarHBondContact NH2-OD1 2.97Å; R633-D636 IonicContact NH2-OD2 3.84Å; R633-D636 PolarHBondContact NH2-OD2 2.99Å; R633-D636 PolarHBondContact O-N 2.8Å; R633-F637 HydrophobicContact CB-CB 3.96Å; R633-F637 HydrophobicContact CB-CD2 4.11Å; R633-F637 HydrophobicContact CG-CD2 4.3Å; R633-F637 CarbonylContact O-C 3.56Å; R633-F637 PolarHBondContact O-N 3.47Å; R633-G638 PolarHBondContact O-N 2.88Å; R633-W639 CarbonylContact C-O 3.58Å; R633-W639 VanDerWaalsContact CA-O 3.31Å; R633-W639 WeakPolarHBondContact CA-O 3.28Å; R633-W639 HydrophobicContact CB-CD2 4.14Å; R633-W639 HydrophobicContact CB-CE3 4.15Å; R633-W639 HydrophobicContact CB-CH2 4.23Å; R633-W639 HydrophobicContact CB-CZ2 4.22Å; R633-W639 HydrophobicContact CB-CZ3 4.19Å; R633-W639 HydrophobicContact CG-CD2 4.45Å; R633-W639 HydrophobicContact CG-CE3 4.16Å; R633-W639 HydrophobicContact CG-CH2 3.5Å; R633-W639 HydrophobicContact CG-CZ2 3.82Å; R633-W639 HydrophobicContact CG-CZ3 3.69Å; R633-W639 PolarHBondContact N-O 2.91Å; R633-L820 VanDerWaalsContact NH1-CD1 3.34Å
634T95.9Very high96.9Very high4 Ų414 Ų143%0.0258%0.077CC..THydrogen-bonded Turntrans-63.8-19.8-179.858.80000112.4I523 K525 R526 D632 W639 R640I523-T634 HydrophobicContact CG2-CG2 3.47Å; I523-T634 VanDerWaalsContact CG2-CG2 3.47Å; K525-T634 WeakPolarHBondContact CD-O 3.3Å; K525-T634 WeakPolarHBondContact CG-O 3.27Å; R526-T634 WeakPolarHBondContact CB-OG1 3.41Å; R526-T634 WeakPolarHBondContact CG-OG1 3.3Å; R526-T634 PolarHBondContact N-OG1 3.2Å; D632-T634 VanDerWaalsContact OD1-CB 3.31Å; D632-T634 WeakPolarHBondContact OD1-CB 3.42Å; D632-T634 VanDerWaalsContact OD1-CG2 3.24Å; D632-T634 WeakPolarHBondContact OD1-CG2 3.46Å; D632-T634 PolarHBondContact OD1-N 3.13Å; D632-T634 PolarHBondContact OD1-OG1 2.81Å; T634-W639 PolarHBondContact N-O 2.97Å; T634-W639 VanDerWaalsContact N-O 3.11Å; T634-R640 HydrophobicContact CG2-CB 4.2Å
635D94.5Very high97Very high6 Ų613.9 Ų13.93%0.0328%0.076CC..THydrogen-bonded Turntrans-71.6-39.1175.865-53.4000113.6K525 R526 L527 I529 R531 R633K525-D635 WeakPolarHBondContact CE-O 3.22Å; K525-D635 PolarHBondContact NZ-O 3.07Å; R526-D635 HydrophobicContact CB-CB 3.86Å; R526-D635 WeakPolarHBondContact O-CA 3.35Å; L527-D635 WeakPolarHBondContact O-CB 3.19Å; I529-D635 PolarHBondContact N-OD2 2.91Å; R531-D635 IonicContact CZ-OD1 3.98Å; R531-D635 IonicContact NE-OD1 2.65Å; R531-D635 IonicContact NE-OD2 2.88Å; R531-D635 IonicContact NH2-OD1 2.81Å; R531-D635 PolarHBondContact NH2-OD1 2.82Å; R531-D635 IonicContact NH2-OD2 3.65Å; R633-D635 PolarHBondContact O-N 2.96Å; R633-D635 VanDerWaalsContact O-N 3.15Å
636D95Very high97Very high76 Ų7612.2 Ų12.241%0.4067%0.068SC..THydrogen-bonded Turntrans-119.3-55.6-177.161.1-2.2000114.9R633R633-D636 IonicContact CZ-OD1 3.69Å; R633-D636 IonicContact CZ-OD2 3.32Å; R633-D636 IonicContact NE-OD1 3.6Å; R633-D636 PolarHBondContact NE-OD1 3.38Å; R633-D636 IonicContact NE-OD2 3.83Å; R633-D636 IonicContact NH2-OD1 2.77Å; R633-D636 PolarHBondContact NH2-OD1 2.97Å; R633-D636 IonicContact NH2-OD2 3.84Å; R633-D636 PolarHBondContact NH2-OD2 2.99Å; R633-D636 PolarHBondContact O-N 2.8Å
637F96.2Very high96.9Very high61 Ų6113 Ų1327%0.2687%0.073SC..THydrogen-bonded Turntrans-85.7-11178.5-69-88.9000115.1E581 R633 W639E581-F637 VanDerWaalsContact O-CE1 3.32Å; E581-F637 WeakPolarHBondContact O-CE1 3.3Å; R633-F637 HydrophobicContact CB-CB 3.96Å; R633-F637 HydrophobicContact CB-CD2 4.11Å; R633-F637 HydrophobicContact CG-CD2 4.3Å; R633-F637 CarbonylContact O-C 3.56Å; R633-F637 PolarHBondContact O-N 3.47Å; F637-W639 HydrophobicContact CB-CG 4.41Å; F637-W639 VanDerWaalsContact CB-NE1 3.27Å; F637-W639 AromaticContact CG-NE1 3.89Å; F637-W639 PolarHBondContact O-N 3Å
638G96.1Very high96.3Very high29 Ų2914.6 Ų14.630%0.2998%0.08SC..SBendtrans80.28.7175.200000116.2R633R633-G638 PolarHBondContact O-N 2.88Å
639W97.4Very high95.5Very high0 Ų018.4 Ų18.40%010%0.098CC..EExtended strand (participates in β ladder)trans-125161.717856.5-103.3000113.4T577 F580 S583 C631 R633 T634 F637 E658 W662T577-W639 HydrophobicContact CG2-CH2 3.89Å; T577-W639 HydrophobicContact CG2-CZ3 4.12Å; F580-W639 HydrophobicContact CB-CD2 4.38Å; F580-W639 HydrophobicContact CB-CH2 4.02Å; F580-W639 HydrophobicContact CB-CZ2 3.49Å; F580-W639 VanDerWaalsContact CB-CZ2 3.49Å; S583-W639 VanDerWaalsContact CB-CD1 3.44Å; S583-W639 VanDerWaalsContact CB-NE1 3.26Å; S583-W639 VanDerWaalsContact OG-CD1 3.22Å; S583-W639 PolarHBondContact OG-NE1 3.29Å; C631-W639 HydrophobicContact CB-CZ3 4.18Å; C631-W639 WeakPolarHBondContact O-CZ3 3.48Å; R633-W639 CarbonylContact C-O 3.58Å; R633-W639 VanDerWaalsContact CA-O 3.31Å; R633-W639 WeakPolarHBondContact CA-O 3.28Å; R633-W639 HydrophobicContact CB-CD2 4.14Å; R633-W639 HydrophobicContact CB-CE3 4.15Å; R633-W639 HydrophobicContact CB-CH2 4.23Å; R633-W639 HydrophobicContact CB-CZ2 4.22Å; R633-W639 HydrophobicContact CB-CZ3 4.19Å; R633-W639 HydrophobicContact CG-CD2 4.45Å; R633-W639 HydrophobicContact CG-CE3 4.16Å; R633-W639 HydrophobicContact CG-CH2 3.5Å; R633-W639 HydrophobicContact CG-CZ2 3.82Å; R633-W639 HydrophobicContact CG-CZ3 3.69Å; R633-W639 PolarHBondContact N-O 2.91Å; T634-W639 PolarHBondContact N-O 2.97Å; T634-W639 VanDerWaalsContact N-O 3.11Å; F637-W639 HydrophobicContact CB-CG 4.41Å; F637-W639 VanDerWaalsContact CB-NE1 3.27Å; F637-W639 AromaticContact CG-NE1 3.89Å; F637-W639 PolarHBondContact O-N 3Å; W639-E658 CarbonylContact C-O 3.49Å; W639-E658 WeakPolarHBondContact CA-O 3.24Å; W639-E658 WeakPolarHBondContact CB-O 3.33Å; W639-W662 HydrophobicContact CB-CH2 3.75Å; W639-W662 HydrophobicContact CB-CZ2 4.12Å; W639-W662 AromaticContact CD1-CH2 3.94Å; W639-W662 AromaticContact CG-CH2 3.96Å; W639-W662 HydrophobicContact CG-CH2 3.96Å; W639-W662 HydrophobicContact CG-CZ2 4.37Å
640R97.4Very high94.8Very high38 Ų3822.7 Ų22.714%0.14313%0.125CC..EExtended strand (participates in β ladder)trans-127.4141.9165.864.8-177.5-176.1-169.9-2.8110.6I523 C631 D632 T634 C657 E658 W947I523-R640 HydrophobicContact CG2-CG 4.48Å; C631-R640 CarbonylContact O-C 3.49Å; C631-R640 WeakPolarHBondContact O-CA 3.44Å; D632-R640 HydrophobicContact CB-CB 4.21Å; T634-R640 HydrophobicContact CG2-CB 4.2Å; R640-C657 CarbonylContact O-C 3.6Å; R640-C657 WeakPolarHBondContact O-CA 3.48Å; R640-E658 HydrophobicContact CG-CG 3.96Å; R640-E658 IonicContact CZ-OE1 2.75Å; R640-E658 PolarHBondContact N-O 3.23Å; R640-E658 IonicContact NE-OE1 3.75Å; R640-E658 PolarHBondContact NE-OE1 2.65Å; R640-E658 IonicContact NH2-OE1 3.88Å; R640-E658 PolarHBondContact NH2-OE1 2.69Å; R640-E658 PolarHBondContact O-N 3.11Å; R640-W947 HydrophobicContact CB-CH2 4.11Å; R640-W947 HydrophobicContact CB-CZ2 3.91Å; R640-W947 HydrophobicContact CG-CH2 4.35Å; R640-W947 HydrophobicContact CG-CZ2 3.72Å; R640-W947 VanDerWaalsContact CZ-CD1 3.49Å
641S98.1Very high94.3Very high0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-123.6145.9-178.4-174.30000110.9E630 C631 H656E630-S641 WeakPolarHBondContact CA-O 3.31Å; C631-S641 PolarHBondContact N-O 2.95Å; C631-S641 PolarHBondContact O-N 2.88Å; S641-H656 CarbonylContact C-O 3.6Å; S641-H656 WeakPolarHBondContact CA-O 3.04Å
642F98.5Very high94.1Very high1 Ų125.2 Ų25.20%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-138.6141.8170.6-176.8-98.8000110.9T628 Y629 E630 E644 L655 H656 W926 F927 F942 Y946 W947T628-F642 HydrophobicContact CG2-CE2 4.35Å; T628-F642 HydrophobicContact CG2-CZ 3.67Å; Y629-F642 CarbonylContact O-C 3.59Å; Y629-F642 WeakPolarHBondContact O-CA 3.31Å; E630-F642 HydrophobicContact CB-CD2 4.11Å; F642-E644 HydrophobicContact CE1-CB 4.34Å; F642-L655 WeakPolarHBondContact O-CA 3.32Å; F642-H656 PolarHBondContact N-O 2.62Å; F642-H656 PolarHBondContact O-N 3.29Å; F642-W926 HydrophobicContact CD1-CB 4.37Å; F642-W926 HydrophobicContact CE1-CB 3.55Å; F642-W926 AromaticContact CE1-CD1 3.63Å; F642-W926 AromaticContact CE1-CG 3.67Å; F642-W926 HydrophobicContact CE1-CG 3.67Å; F642-W926 HydrophobicContact CZ-CB 4.2Å; F642-W926 AromaticContact CZ-CD1 3.42Å; F642-W926 VanDerWaalsContact CZ-CD1 3.42Å; F642-W926 AromaticContact CZ-CG 3.79Å; F642-W926 HydrophobicContact CZ-CG 3.79Å; F642-W926 AromaticContact CZ-NE1 3.92Å; F642-F927 AromaticContact CD1-CE2 3.75Å; F642-F927 HydrophobicContact CD1-CE2 3.75Å; F642-F927 HydrophobicContact CD1-CZ 4.12Å; F642-F927 HydrophobicContact CE1-CD2 4.5Å; F642-F927 AromaticContact CE1-CE2 3.76Å; F642-F927 HydrophobicContact CE1-CE2 3.76Å; F642-F942 HydrophobicContact CB-CE2 4.28Å; F642-F942 AromaticContact CD1-CD2 4Å; F642-F942 HydrophobicContact CD1-CD2 4Å; F642-F942 AromaticContact CD1-CE2 3.64Å; F642-F942 HydrophobicContact CD1-CE2 3.64Å; F642-F942 HydrophobicContact CE1-CE2 4.39Å; F642-F942 HydrophobicContact CG-CE2 4.13Å; F642-Y946 HydrophobicContact CD1-CG 4.46Å; F642-Y946 AromaticContact CD2-CD1 3.39Å; F642-Y946 HydrophobicContact CD2-CD1 3.39Å; F642-Y946 AromaticContact CD2-CD2 3.95Å; F642-Y946 HydrophobicContact CD2-CD2 3.95Å; F642-Y946 AromaticContact CD2-CE1 3.48Å; F642-Y946 HydrophobicContact CD2-CE1 3.48Å; F642-Y946 VanDerWaalsContact CD2-CE1 3.48Å; F642-Y946 HydrophobicContact CD2-CE2 4.02Å; F642-Y946 AromaticContact CD2-CG 3.64Å; F642-Y946 HydrophobicContact CD2-CG 3.64Å; F642-Y946 AromaticContact CD2-CZ 3.81Å; F642-Y946 HydrophobicContact CE1-CD2 4.45Å; F642-Y946 HydrophobicContact CE1-CG 4.39Å; F642-Y946 AromaticContact CE2-CD1 3.72Å; F642-Y946 HydrophobicContact CE2-CD1 3.72Å; F642-Y946 AromaticContact CE2-CD2 3.36Å; F642-Y946 HydrophobicContact CE2-CD2 3.36Å; F642-Y946 AromaticContact CE2-CE1 3.71Å; F642-Y946 HydrophobicContact CE2-CE1 3.71Å; F642-Y946 AromaticContact CE2-CE2 3.34Å; F642-Y946 HydrophobicContact CE2-CE2 3.34Å; F642-Y946 AromaticContact CE2-CG 3.55Å; F642-Y946 HydrophobicContact CE2-CG 3.55Å; F642-Y946 AromaticContact CE2-CZ 3.53Å; F642-Y946 AromaticContact CG-CD1 3.96Å; F642-Y946 HydrophobicContact CG-CD1 3.96Å; F642-Y946 HydrophobicContact CG-CE1 4.45Å; F642-Y946 HydrophobicContact CG-CG 4.1Å; F642-Y946 AromaticContact CZ-CD2 3.64Å; F642-Y946 HydrophobicContact CZ-CD2 3.64Å; F642-Y946 AromaticContact CZ-CE2 3.98Å; F642-Y946 HydrophobicContact CZ-CE2 3.98Å; F642-Y946 AromaticContact CZ-CG 3.94Å; F642-Y946 HydrophobicContact CZ-CG 3.94Å; F642-W947 HydrophobicContact CB-CZ2 4.07Å
643A98.6Very high94.2Very high0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-141.4151.6179.200000112.7L573 T628 Y629 A654 L655L573-A643 HydrophobicContact CB-CB 4.16Å; L573-A643 HydrophobicContact CD2-CB 4.24Å; T628-A643 CarbonylContact C-O 3.55Å; T628-A643 WeakPolarHBondContact CA-O 3.42Å; T628-A643 WeakPolarHBondContact CB-O 3.49Å; Y629-A643 PolarHBondContact N-O 3.25Å; Y629-A643 PolarHBondContact O-N 2.66Å; A643-A654 CarbonylContact C-O 3.54Å; A643-A654 WeakPolarHBondContact CA-O 3.15Å; A643-A654 WeakPolarHBondContact CB-O 3.31Å; A643-L655 HydrophobicContact CB-CB 4.08Å; A643-L655 HydrophobicContact CB-CD1 4.11Å; A643-L655 HydrophobicContact CB-CG 4.08Å
644E98.5Very high94.2Very high3 Ų324.2 Ų24.21%0.01414%0.138CC..EExtended strand (participates in β ladder)trans-139.1140.9177.9-176.6173.9-175.400110.9E627 T628 F642 V646 C653 A654 P924 L925 W926 F927E627-E644 WeakPolarHBondContact O-CA 3.27Å; T628-E644 HydrophobicContact CG2-CB 4.25Å; T628-E644 HydrophobicContact CG2-CG 4.09Å; F642-E644 HydrophobicContact CE1-CB 4.34Å; E644-V646 VanDerWaalsContact C-N 3.34Å; E644-V646 HydrophobicContact CB-CG1 4.26Å; E644-V646 HydrophobicContact CG-CG1 4.31Å; E644-V646 PolarHBondContact O-N 2.89Å; E644-C653 CarbonylContact O-C 3.55Å; E644-C653 WeakPolarHBondContact O-CA 3.31Å; E644-A654 PolarHBondContact N-O 3.31Å; E644-A654 PolarHBondContact O-N 3.16Å; E644-P924 WeakPolarHBondContact OE1-CA 3.36Å; E644-L925 PolarHBondContact OE1-N 2.83Å; E644-L925 PolarHBondContact OE2-N 2.91Å; E644-W926 WeakPolarHBondContact OE2-CB 3.38Å; E644-W926 PolarHBondContact OE2-N 3.34Å; E644-F927 HydrophobicContact CB-CD2 3.74Å; E644-F927 HydrophobicContact CB-CE2 3.68Å
645Q97.1Very high94.4Very high1 Ų124 Ų241%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-8081.3171.5-173.471.835.400110.4P623 L624 G626 E627 S647 A652 C653P623-Q645 HydrophobicContact CB-CB 3.91Å; P623-Q645 HydrophobicContact CB-CG 3.94Å; P623-Q645 VanDerWaalsContact CB-OE1 3.28Å; L624-Q645 WeakPolarHBondContact O-CB 3.34Å; L624-Q645 VanDerWaalsContact O-CG 3.3Å; L624-Q645 WeakPolarHBondContact O-CG 3.25Å; G626-Q645 PolarHBondContact N-O 2.79Å; E627-Q645 HydrophobicContact CB-CB 4.48Å; E627-Q645 PolarHBondContact O-N 3.41Å; Q645-S647 VanDerWaalsContact C-N 3.3Å; Q645-S647 PolarHBondContact NE2-O 3.37Å; Q645-S647 PolarHBondContact O-N 3.44Å; Q645-A652 CarbonylContact C-O 3.59Å; Q645-A652 PolarHBondContact NE2-O 2.86Å; Q645-A652 VanDerWaalsContact NE2-O 3.13Å; Q645-C653 PolarHBondContact OE1-SG 2.95Å
646V95.4Very high94.6Very high4 Ų424.9 Ų24.92%0.02414%0.141CC..EExtended strand (participates in β ladder)trans-68.5-17.2-173.2-59.60000115.6E644 A652 A654 P924 F927 Y940E644-V646 VanDerWaalsContact C-N 3.34Å; E644-V646 HydrophobicContact CB-CG1 4.26Å; E644-V646 HydrophobicContact CG-CG1 4.31Å; E644-V646 PolarHBondContact O-N 2.89Å; V646-A652 HydrophobicContact CG2-CB 4.09Å; V646-A652 WeakPolarHBondContact CG2-O 3.5Å; V646-A652 PolarHBondContact N-O 2.71Å; V646-A654 HydrophobicContact CG1-CB 3.54Å; V646-A654 HydrophobicContact CG2-CB 4.29Å; V646-P924 HydrophobicContact CB-CB 4.29Å; V646-P924 HydrophobicContact CB-CG 3.57Å; V646-P924 HydrophobicContact CG1-CB 3.84Å; V646-P924 HydrophobicContact CG1-CG 3.63Å; V646-F927 HydrophobicContact CG1-CB 4.46Å; V646-F927 HydrophobicContact CG1-CD2 4.48Å; V646-Y940 HydrophobicContact CB-CD1 4.3Å; V646-Y940 HydrophobicContact CB-CE1 3.97Å; V646-Y940 HydrophobicContact CB-CE2 4.48Å; V646-Y940 HydrophobicContact CG1-CD1 4.14Å; V646-Y940 HydrophobicContact CG1-CE1 4.29Å; V646-Y940 HydrophobicContact CG1-CG 4.46Å; V646-Y940 HydrophobicContact CG2-CD1 4.39Å; V646-Y940 HydrophobicContact CG2-CD2 4.02Å; V646-Y940 HydrophobicContact CG2-CE1 4.1Å; V646-Y940 HydrophobicContact CG2-CE2 3.71Å; V646-Y940 HydrophobicContact CG2-CG 4.35Å
647S91.7Very high94.7Very high23 Ų2321.3 Ų21.316%0.16112%0.121CC..EExtended strand (participates in β ladder)trans-153.4157167.9-173.30000111.7Q645 H649 P650 P651 A652Q645-S647 VanDerWaalsContact C-N 3.3Å; Q645-S647 PolarHBondContact NE2-O 3.37Å; Q645-S647 PolarHBondContact O-N 3.44Å; S647-H649 PolarHBondContact OG-N 3.23Å; S647-P650 WeakPolarHBondContact CB-O 3.43Å; S647-P650 PolarHBondContact OG-O 2.69Å; S647-P651 WeakPolarHBondContact O-CA 3.44Å; S647-A652 PolarHBondContact N-O 2.96Å; S647-A652 VanDerWaalsContact N-O 3.09Å; S647-A652 PolarHBondContact O-N 3.49Å
648H86.8Confident94.8Very high32 Ų3219.3 Ų19.315%0.14811%0.113CC..EExtended strand (participates in β ladder)trans-116.6-14.6176.7-159.589.5000113.3N622 P623 L625 P650 Q864N622-H648 PolarHBondContact ND2-CE1 3.1Å; P623-H648 PolarHBondContact O-CE1 3.38Å; P623-H648 PolarHBondContact O-ND1 2.89Å; L625-H648 HydrophobicContact CB-CB 4.24Å; L625-H648 HydrophobicContact CD1-CB 4.17Å; H648-P650 CarbonylContact C-O 3.6Å; H648-P650 CarbonylContact O-C 3.59Å; H648-Q864 PolarHBondContact CD2-NE2 2.86Å; H648-Q864 PolarHBondContact CE1-NE2 3.34Å; H648-Q864 PolarHBondContact ND1-NE2 3.14Å; H648-Q864 PolarHBondContact NE2-NE2 2.87Å; H648-Q864 VanDerWaalsContact NE2-NE2 3.11Å
649H81.7Confident94.9Very high82 Ų8218 Ų1838%0.3810%0.1SC..THydrogen-bonded Turntrans-141.494-179.1-65.5-49.5000110.7S647 R868 D919S647-H649 PolarHBondContact OG-N 3.23Å; H649-R868 PolarHBondContact CD2-NE 3.47Å; H649-R868 PolarHBondContact CD2-NH1 3.17Å; H649-R868 VanDerWaalsContact CD2-NH1 3.29Å; H649-R868 PolarHBondContact NE2-NH1 3.14Å; H649-D919 HydrophobicContact CB-CB 4.5Å; H649-D919 VanDerWaalsContact CB-OD2 3.29Å; H649-D919 WeakPolarHBondContact CB-OD2 3.45Å; H649-D919 IonicContact CD2-OD1 3.74Å; H649-D919 IonicContact CD2-OD2 2.73Å; H649-D919 PolarHBondContact CD2-OD2 3Å; H649-D919 IonicContact CG-OD2 2.74Å
650P82.9Confident94.8Very high89 Ų8922 Ų2258%0.57812%0.121SC*.THydrogen-bonded Turncis-64.2157.2-10.530.8-36.1000112S647 H648 A652S647-P650 WeakPolarHBondContact CB-O 3.43Å; S647-P650 PolarHBondContact OG-O 2.69Å; H648-P650 CarbonylContact C-O 3.6Å; H648-P650 CarbonylContact O-C 3.59Å; P650-A652 PolarHBondContact O-N 3.03Å
651P88.8Confident94.8Very high40 Ų4021.9 Ų21.926%0.2613%0.128SC..EExtended strand (participates in β ladder)trans-65.4121.7176.427.5-34000110.2S647 S669S647-P651 WeakPolarHBondContact O-CA 3.44Å; P651-S669 WeakPolarHBondContact O-CA 3.33Å; P651-S669 VanDerWaalsContact O-CB 3.27Å; P651-S669 WeakPolarHBondContact O-CB 3.37Å; P651-S669 PolarHBondContact O-OG 2.94Å
652A93.3Very high94.8Very high15 Ų1521.9 Ų21.912%0.12413%0.128CC..EExtended strand (participates in β ladder)trans-136.9138.117700000111Q645 V646 S647 P650 F668Q645-A652 CarbonylContact C-O 3.59Å; Q645-A652 PolarHBondContact NE2-O 2.86Å; Q645-A652 VanDerWaalsContact NE2-O 3.13Å; V646-A652 HydrophobicContact CG2-CB 4.09Å; V646-A652 WeakPolarHBondContact CG2-O 3.5Å; V646-A652 PolarHBondContact N-O 2.71Å; S647-A652 PolarHBondContact N-O 2.96Å; S647-A652 VanDerWaalsContact N-O 3.09Å; S647-A652 PolarHBondContact O-N 3.49Å; P650-A652 PolarHBondContact O-N 3.03Å; A652-F668 CarbonylContact C-O 3.53Å; A652-F668 VanDerWaalsContact CA-O 3.31Å; A652-F668 WeakPolarHBondContact CA-O 3.41Å
653C97.1Very high94.8Very high4 Ų425.2 Ų25.23%0.02714%0.141CC..EExtended strand (participates in β ladder)trans-108.4150.7173.2-41.50000108.6L573 L576 E644 Q645 D667 F668L573-C653 HydrophobicContact CD2-CB 3.83Å; L576-C653 HydrophobicContact CD1-CB 3.75Å; E644-C653 CarbonylContact O-C 3.55Å; E644-C653 WeakPolarHBondContact O-CA 3.31Å; Q645-C653 PolarHBondContact OE1-SG 2.95Å; C653-D667 CarbonylContact O-C 3.41Å; C653-D667 WeakPolarHBondContact O-CA 3.49Å; C653-F668 PolarHBondContact N-O 2.94Å; C653-F668 PolarHBondContact O-N 3.4Å
654A98.1Very high94.8Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-115.9141.6158.700000108.7A643 E644 V646 F927 Y940A643-A654 CarbonylContact C-O 3.54Å; A643-A654 WeakPolarHBondContact CA-O 3.15Å; A643-A654 WeakPolarHBondContact CB-O 3.31Å; E644-A654 PolarHBondContact N-O 3.31Å; E644-A654 PolarHBondContact O-N 3.16Å; V646-A654 HydrophobicContact CG1-CB 3.54Å; V646-A654 HydrophobicContact CG2-CB 4.29Å; A654-F927 HydrophobicContact CB-CB 4.49Å; A654-F927 HydrophobicContact CB-CD1 3.61Å; A654-F927 HydrophobicContact CB-CD2 4.03Å; A654-F927 HydrophobicContact CB-CE1 3.67Å; A654-F927 HydrophobicContact CB-CE2 4.09Å; A654-F927 HydrophobicContact CB-CG 3.8Å; A654-F927 HydrophobicContact CB-CZ 3.92Å; A654-Y940 HydrophobicContact CB-CG 4.05Å
655L98.5Very high94.8Very high1 Ų126.2 Ų26.21%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-135.1140.4176.4-175151.7000110.1L576 F580 F642 A643 C657 W665 F666L576-L655 HydrophobicContact CB-CD1 3.88Å; F580-L655 HydrophobicContact CE2-CD2 3.6Å; F580-L655 HydrophobicContact CZ-CD2 4.03Å; F642-L655 WeakPolarHBondContact O-CA 3.32Å; A643-L655 HydrophobicContact CB-CB 4.08Å; A643-L655 HydrophobicContact CB-CD1 4.11Å; A643-L655 HydrophobicContact CB-CG 4.08Å; L655-C657 HydrophobicContact CD2-CB 4.09Å; L655-W665 VanDerWaalsContact O-CA 3.22Å; L655-W665 WeakPolarHBondContact O-CA 3.06Å; L655-W665 WeakPolarHBondContact O-CB 3.45Å; L655-F666 HydrophobicContact CB-CD2 4.09Å; L655-F666 HydrophobicContact CB-CE2 3.72Å; L655-F666 HydrophobicContact CB-CZ 4.01Å; L655-F666 HydrophobicContact CD1-CE2 4.23Å; L655-F666 HydrophobicContact CD1-CZ 3.91Å; L655-F666 HydrophobicContact CD2-CE1 3.91Å; L655-F666 HydrophobicContact CD2-CE2 4.46Å; L655-F666 HydrophobicContact CD2-CZ 3.88Å; L655-F666 HydrophobicContact CG-CE2 4.35Å; L655-F666 HydrophobicContact CG-CZ 4.16Å; L655-F666 PolarHBondContact N-O 2.82Å; L655-F666 PolarHBondContact O-N 2.87Å
656H98.6Very high94.8Very high24 Ų2426.3 Ų26.311%0.11115%0.145CC..EExtended strand (participates in β ladder)trans-131.5133.8169.4179.289.4000109.8S641 F642 C664 W665 F927 F942S641-H656 CarbonylContact C-O 3.6Å; S641-H656 WeakPolarHBondContact CA-O 3.04Å; F642-H656 PolarHBondContact N-O 2.62Å; F642-H656 PolarHBondContact O-N 3.29Å; H656-C664 WeakPolarHBondContact CA-O 3.18Å; H656-W665 HydrophobicContact CB-CB 4.39Å; H656-F927 HydrophobicContact CB-CE1 4.12Å; H656-F927 HydrophobicContact CB-CZ 4.36Å; H656-F942 HydrophobicContact CB-CB 3.5Å; H656-F942 VanDerWaalsContact CB-CB 3.5Å; H656-F942 HydrophobicContact CB-CD1 4.27Å; H656-F942 HydrophobicContact CB-CG 3.92Å; H656-F942 AromaticContact CD2-CD1 3.45Å; H656-F942 VanDerWaalsContact CD2-CD1 3.45Å; H656-F942 WeakPolarHBondContact CD2-CD1 3.37Å; H656-F942 AromaticContact CG-CD1 3.85Å; H656-F942 AromaticContact CG-CG 3.95Å; H656-F942 AromaticContact NE2-CD1 3.95Å
657C98.5Very high94.7Very high0 Ų027.7 Ų27.70%015%0.153CC..EExtended strand (participates in β ladder)trans-136.9135.2178.3-178.40000109.9F580 R640 L655 Y663 C664F580-C657 HydrophobicContact CD1-CB 4.16Å; F580-C657 HydrophobicContact CD2-CB 4.24Å; F580-C657 HydrophobicContact CE1-CB 3.66Å; F580-C657 HydrophobicContact CE2-CB 3.77Å; F580-C657 HydrophobicContact CG-CB 4.44Å; F580-C657 HydrophobicContact CZ-CB 3.46Å; F580-C657 VanDerWaalsContact CZ-CB 3.46Å; R640-C657 CarbonylContact O-C 3.6Å; R640-C657 WeakPolarHBondContact O-CA 3.48Å; L655-C657 HydrophobicContact CD2-CB 4.09Å; C657-Y663 CarbonylContact O-C 3.49Å; C657-Y663 WeakPolarHBondContact O-CA 3.24Å; C657-C664 PolarHBondContact N-O 3.07Å; C657-C664 PolarHBondContact O-N 3.21Å; C657-C664 VanDerWaalsContact O-O 3.13Å
658E97.9Very high94.9Very high19 Ų1927.6 Ų27.69%0.08915%0.15CC..EExtended strand (participates in β ladder)trans-140.2144-173.553.5164.2173.400113.7I523 W639 R640 R692I523-E658 HydrophobicContact CD1-CB 4.05Å; I523-E658 HydrophobicContact CD1-CG 3.69Å; W639-E658 CarbonylContact C-O 3.49Å; W639-E658 WeakPolarHBondContact CA-O 3.24Å; W639-E658 WeakPolarHBondContact CB-O 3.33Å; R640-E658 HydrophobicContact CG-CG 3.96Å; R640-E658 IonicContact CZ-OE1 2.75Å; R640-E658 PolarHBondContact N-O 3.23Å; R640-E658 IonicContact NE-OE1 3.75Å; R640-E658 PolarHBondContact NE-OE1 2.65Å; R640-E658 IonicContact NH2-OE1 3.88Å; R640-E658 PolarHBondContact NH2-OE1 2.69Å; R640-E658 PolarHBondContact O-N 3.11Å; E658-R692 IonicContact OE2-NH2 3.62Å; E658-R692 PolarHBondContact OE2-NH2 2.88Å
659S97.5Very high95.3Very high3 Ų326.9 Ų26.92%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-122.7177.816882.60000109.9A661 W662 R692S659-A661 PolarHBondContact O-N 3.44Å; S659-A661 PolarHBondContact OG-N 3.33Å; S659-W662 PolarHBondContact N-O 3.26Å; S659-W662 VanDerWaalsContact O-O 3.05Å; S659-W662 VanDerWaalsContact OG-CD1 3.25Å; S659-W662 VanDerWaalsContact OG-CE2 3.23Å; S659-W662 PolarHBondContact OG-N 3.22Å; S659-W662 PolarHBondContact OG-NE1 3.28Å; S659-W662 VanDerWaalsContact OG-NE1 3.12Å; S659-W662 PolarHBondContact OG-O 2.76Å; S659-R692 PolarHBondContact O-NE 3.42Å; S659-R692 PolarHBondContact O-NH2 3.03Å
660N96.4Very high95.6Very high83 Ų8326.1 Ų26.144%0.44415%0.145SC..SBendtrans-71.4-10.9172.1-71.8-40.4000113.5I523I523-N660 WeakPolarHBondContact CB-OD1 3.25Å; I523-N660 PolarHBondContact N-OD1 2.9Å; I523-N660 PolarHBondContact O-ND2 3.23Å
661A97.1Very high95.7Very high36 Ų3625 Ų2530%0.29814%0.137SC..SBendtrans-109.8-30.6-176.600000113.6A590 S659 R692A590-A661 HydrophobicContact CB-CB 3.81Å; S659-A661 PolarHBondContact O-N 3.44Å; S659-A661 PolarHBondContact OG-N 3.33Å; A661-R692 PolarHBondContact O-N 2.96Å
662W98.1Very high95.3Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-148.3164.1-175.850.8-96.1000111.1F580 L586 D587 W639 S659 C664 L689 V690 F691F580-W662 HydrophobicContact CD1-CH2 4.02Å; F580-W662 HydrophobicContact CD1-CZ3 4.17Å; F580-W662 HydrophobicContact CE1-CH2 4.34Å; F580-W662 HydrophobicContact CE1-CZ3 4.02Å; L586-W662 HydrophobicContact CB-CD2 3.97Å; L586-W662 HydrophobicContact CB-CG 4.04Å; L586-W662 HydrophobicContact CB-CZ2 4.33Å; L586-W662 HydrophobicContact CD1-CD2 3.84Å; L586-W662 HydrophobicContact CD1-CE3 3.79Å; L586-W662 HydrophobicContact CD1-CH2 4.12Å; L586-W662 HydrophobicContact CD1-CZ2 4.14Å; L586-W662 HydrophobicContact CD1-CZ3 3.94Å; D587-W662 PolarHBondContact OD1-NE1 2.77Å; W639-W662 HydrophobicContact CB-CH2 3.75Å; W639-W662 HydrophobicContact CB-CZ2 4.12Å; W639-W662 AromaticContact CD1-CH2 3.94Å; W639-W662 AromaticContact CG-CH2 3.96Å; W639-W662 HydrophobicContact CG-CH2 3.96Å; W639-W662 HydrophobicContact CG-CZ2 4.37Å; S659-W662 PolarHBondContact N-O 3.26Å; S659-W662 VanDerWaalsContact O-O 3.05Å; S659-W662 VanDerWaalsContact OG-CD1 3.25Å; S659-W662 VanDerWaalsContact OG-CE2 3.23Å; S659-W662 PolarHBondContact OG-N 3.22Å; S659-W662 PolarHBondContact OG-NE1 3.28Å; S659-W662 VanDerWaalsContact OG-NE1 3.12Å; S659-W662 PolarHBondContact OG-O 2.76Å; W662-C664 HydrophobicContact CE3-CB 4.44Å; W662-C664 HydrophobicContact CZ3-CB 4.4Å; W662-L689 HydrophobicContact CB-CD1 4.14Å; W662-L689 HydrophobicContact CE3-CD1 4.37Å; W662-V690 CarbonylContact C-O 3.48Å; W662-V690 VanDerWaalsContact CA-O 3.23Å; W662-V690 WeakPolarHBondContact CA-O 3.33Å; W662-F691 HydrophobicContact CB-CD1 3.88Å; W662-F691 HydrophobicContact CB-CE1 4.09Å
663Y98.3Very high94.7Very high71 Ų7129.7 Ų29.728%0.27816%0.156SC..EExtended strand (participates in β ladder)trans-142.3147165.762.2-83.9000110.6C657 W665 L689 V690 R692C657-Y663 CarbonylContact O-C 3.49Å; C657-Y663 WeakPolarHBondContact O-CA 3.24Å; Y663-W665 AromaticContact CD2-CE3 3.9Å; Y663-W665 HydrophobicContact CD2-CE3 3.9Å; Y663-W665 AromaticContact CD2-CZ3 3.78Å; Y663-W665 HydrophobicContact CD2-CZ3 3.78Å; Y663-W665 HydrophobicContact CE2-CE3 4Å; Y663-W665 HydrophobicContact CE2-CH2 4.27Å; Y663-W665 AromaticContact CE2-CZ3 3.46Å; Y663-W665 HydrophobicContact CE2-CZ3 3.46Å; Y663-W665 VanDerWaalsContact CE2-CZ3 3.46Å; Y663-L689 WeakPolarHBondContact O-CA 3.4Å; Y663-V690 HydrophobicContact CD1-CB 4.19Å; Y663-V690 HydrophobicContact CD1-CG1 4.49Å; Y663-V690 HydrophobicContact CD2-CB 4.47Å; Y663-V690 HydrophobicContact CE1-CB 3.66Å; Y663-V690 HydrophobicContact CE1-CG1 3.64Å; Y663-V690 HydrophobicContact CE2-CB 3.99Å; Y663-V690 HydrophobicContact CE2-CG2 4.17Å; Y663-V690 PolarHBondContact N-O 3.05Å; Y663-V690 PolarHBondContact O-N 3.41Å; Y663-R692 HydrophobicContact CD1-CG 3.95Å; Y663-R692 HydrophobicContact CE1-CG 4.28Å
664C98.4Very high93.6Very high1 Ų133.7 Ų33.71%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-134138.9-171.8-173.30000109.4F580 H656 C657 W662 H688 L689F580-C664 HydrophobicContact CE1-CB 3.85Å; F580-C664 HydrophobicContact CZ-CB 4Å; H656-C664 WeakPolarHBondContact CA-O 3.18Å; C657-C664 PolarHBondContact N-O 3.07Å; C657-C664 PolarHBondContact O-N 3.21Å; C657-C664 VanDerWaalsContact O-O 3.13Å; W662-C664 HydrophobicContact CE3-CB 4.44Å; W662-C664 HydrophobicContact CZ3-CB 4.4Å; C664-H688 CarbonylContact C-O 3.6Å; C664-H688 VanDerWaalsContact CA-O 3.25Å; C664-H688 WeakPolarHBondContact CA-O 3.36Å; C664-H688 PolarHBondContact SG-O 3.5Å; C664-L689 HydrophobicContact CB-CD1 4.16Å
665W98.2Very high92.4Very high22 Ų2240.3 Ų40.38%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-146155.4173.173.4102.7000111.5L655 H656 Y663 H688 V690 H697 I941L655-W665 VanDerWaalsContact O-CA 3.22Å; L655-W665 WeakPolarHBondContact O-CA 3.06Å; L655-W665 WeakPolarHBondContact O-CB 3.45Å; H656-W665 HydrophobicContact CB-CB 4.39Å; Y663-W665 AromaticContact CD2-CE3 3.9Å; Y663-W665 HydrophobicContact CD2-CE3 3.9Å; Y663-W665 AromaticContact CD2-CZ3 3.78Å; Y663-W665 HydrophobicContact CD2-CZ3 3.78Å; Y663-W665 HydrophobicContact CE2-CE3 4Å; Y663-W665 HydrophobicContact CE2-CH2 4.27Å; Y663-W665 AromaticContact CE2-CZ3 3.46Å; Y663-W665 HydrophobicContact CE2-CZ3 3.46Å; Y663-W665 VanDerWaalsContact CE2-CZ3 3.46Å; W665-H688 HydrophobicContact CD2-CB 3.57Å; W665-H688 AromaticContact CE2-CD2 3.98Å; W665-H688 AromaticContact CE2-CG 3.63Å; W665-H688 HydrophobicContact CE3-CB 3.76Å; W665-H688 HydrophobicContact CG-CB 4.26Å; W665-H688 HydrophobicContact CH2-CB 3.71Å; W665-H688 HydrophobicContact CZ2-CB 3.49Å; W665-H688 VanDerWaalsContact CZ2-CB 3.49Å; W665-H688 AromaticContact CZ2-CG 3.69Å; W665-H688 AromaticContact CZ2-ND1 3.87Å; W665-H688 HydrophobicContact CZ3-CB 3.83Å; W665-H688 PolarHBondContact N-O 3.49Å; W665-H688 AromaticContact NE1-CD2 3.64Å; W665-H688 AromaticContact NE1-CG 3.79Å; W665-H688 PolarHBondContact O-N 2.99Å; W665-V690 HydrophobicContact CH2-CG2 3.97Å; W665-V690 HydrophobicContact CZ3-CG2 3.8Å; W665-H697 AromaticContact CH2-CE1 3.7Å; W665-H697 AromaticContact CH2-NE2 3.35Å; W665-H697 VanDerWaalsContact CH2-NE2 3.35Å; W665-H697 WeakPolarHBondContact CH2-NE2 3.41Å; W665-H697 AromaticContact CZ2-CE1 4Å; W665-H697 AromaticContact CZ2-NE2 3.79Å; W665-I941 HydrophobicContact CZ2-CD1 4.45Å
666F97.3Very high91Very high3 Ų341.8 Ų41.81%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-157.7149.7174.350.6-103.8000112.7L576 D579 F580 L655 F668 T686 C687L576-F666 HydrophobicContact CB-CE2 4.02Å; L576-F666 HydrophobicContact CB-CZ 4.12Å; L576-F666 HydrophobicContact CD1-CE2 4.2Å; L576-F666 HydrophobicContact CD2-CE2 3.94Å; L576-F666 HydrophobicContact CD2-CZ 4.37Å; L576-F666 HydrophobicContact CG-CE2 4.26Å; D579-F666 WeakPolarHBondContact OD2-CE1 3.39Å; D579-F666 VanDerWaalsContact OD2-CZ 3.26Å; D579-F666 WeakPolarHBondContact OD2-CZ 3.24Å; F580-F666 HydrophobicContact CE2-CE1 4.21Å; F580-F666 HydrophobicContact CZ-CE1 4.3Å; L655-F666 HydrophobicContact CB-CD2 4.09Å; L655-F666 HydrophobicContact CB-CE2 3.72Å; L655-F666 HydrophobicContact CB-CZ 4.01Å; L655-F666 HydrophobicContact CD1-CE2 4.23Å; L655-F666 HydrophobicContact CD1-CZ 3.91Å; L655-F666 HydrophobicContact CD2-CE1 3.91Å; L655-F666 HydrophobicContact CD2-CE2 4.46Å; L655-F666 HydrophobicContact CD2-CZ 3.88Å; L655-F666 HydrophobicContact CG-CE2 4.35Å; L655-F666 HydrophobicContact CG-CZ 4.16Å; L655-F666 PolarHBondContact N-O 2.82Å; L655-F666 PolarHBondContact O-N 2.87Å; F666-F668 HydrophobicContact CD2-CB 4.16Å; F666-F668 HydrophobicContact CE2-CB 4.39Å; F666-T686 WeakPolarHBondContact CA-O 3.41Å; F666-T686 WeakPolarHBondContact CB-O 3.34Å; F666-C687 HydrophobicContact CB-CB 4.3Å
667D93.8Very high89.8Confident34 Ų3447.6 Ų47.618%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-85.6147154.973.8-60.8000109.6C653 G685 T686 Y940C653-D667 CarbonylContact O-C 3.41Å; C653-D667 WeakPolarHBondContact O-CA 3.49Å; D667-G685 VanDerWaalsContact CG-CA 3.45Å; D667-G685 WeakPolarHBondContact O-CA 3.35Å; D667-G685 VanDerWaalsContact OD1-CA 3.31Å; D667-G685 WeakPolarHBondContact OD1-CA 3.33Å; D667-G685 WeakPolarHBondContact OD2-CA 3.45Å; D667-T686 PolarHBondContact OD1-N 3.3Å; D667-Y940 HydrophobicContact CB-CD2 4.14Å
668F95.5Very high89Confident21 Ų2151.1 Ų51.19%0.09225%0.252CS..EExtended strand (participates in β ladder)trans-142.8120.4176.5179.9-87.8000112.1M572 L576 A652 C653 F666 M670 P683 K702M572-F668 HydrophobicContact CE-CD1 4.33Å; M572-F668 HydrophobicContact CE-CE1 3.63Å; M572-F668 HydrophobicContact CE-CZ 3.95Å; M572-F668 HydrophobicContact CG-CE1 4.4Å; M572-F668 HydrophobicContact SD-CE1 4.25Å; L576-F668 HydrophobicContact CD1-CB 3.89Å; L576-F668 HydrophobicContact CD1-CD1 3.8Å; L576-F668 HydrophobicContact CD1-CG 3.94Å; L576-F668 HydrophobicContact CD2-CB 4.19Å; L576-F668 HydrophobicContact CD2-CD1 3.93Å; L576-F668 HydrophobicContact CD2-CD2 3.78Å; L576-F668 HydrophobicContact CD2-CE1 4.25Å; L576-F668 HydrophobicContact CD2-CE2 4.09Å; L576-F668 HydrophobicContact CD2-CG 3.69Å; L576-F668 HydrophobicContact CD2-CZ 4.32Å; L576-F668 HydrophobicContact CG-CD1 4.39Å; L576-F668 HydrophobicContact CG-CG 4.45Å; A652-F668 CarbonylContact C-O 3.53Å; A652-F668 VanDerWaalsContact CA-O 3.31Å; A652-F668 WeakPolarHBondContact CA-O 3.41Å; C653-F668 PolarHBondContact N-O 2.94Å; C653-F668 PolarHBondContact O-N 3.4Å; F666-F668 HydrophobicContact CD2-CB 4.16Å; F666-F668 HydrophobicContact CE2-CB 4.39Å; F668-M670 HydrophobicContact CE1-CE 3.73Å; F668-M670 HydrophobicContact CZ-CE 4.08Å; F668-P683 HydrophobicContact CE2-CB 3.93Å; F668-P683 HydrophobicContact CE2-CG 4.39Å; F668-K702 HydrophobicContact CE2-CD 4.43Å
669S94.5Very high88.3Confident16 Ų1651.7 Ų51.711%0.11226%0.256CS..EExtended strand (participates in β ladder)trans-128.9174.6167.2-169.40000109.8P651 V684P651-S669 WeakPolarHBondContact O-CA 3.33Å; P651-S669 VanDerWaalsContact O-CB 3.27Å; P651-S669 WeakPolarHBondContact O-CB 3.37Å; P651-S669 PolarHBondContact O-OG 2.94Å; S669-V684 PolarHBondContact N-O 2.88Å; S669-V684 PolarHBondContact O-N 2.94Å
670M89Confident87.8Confident66 Ų6653.3 Ų53.333%0.32526%0.263SS..EExtended strand (participates in β ladder)trans-144144177.163.6174.373.800112.2M572 F668 I681 N682M572-M670 HydrophobicContact SD-CE 3.79Å; F668-M670 HydrophobicContact CE1-CE 3.73Å; F668-M670 HydrophobicContact CZ-CE 4.08Å; M670-I681 HydrophobicContact CB-CG2 4.26Å; M670-I681 HydrophobicContact SD-CG2 4.36Å; M670-N682 WeakPolarHBondContact CA-O 3.2Å
671T85.1Confident87.6Confident67 Ų6751.1 Ų51.141%0.41125%0.251SS..EExtended strand (participates in β ladder)trans-116.9140.4166.566.50000110.3N682 V684T671-N682 PolarHBondContact N-O 2.86Å; T671-N682 PolarHBondContact O-N 2.83Å; T671-N682 PolarHBondContact O-ND2 3.06Å; T671-N682 VanDerWaalsContact O-ND2 3.16Å; T671-V684 HydrophobicContact CG2-CG2 4.26Å
672T81Confident87.3Confident65 Ų6550.6 Ų50.640%0.39924%0.243SC..EExtended strand (participates in β ladder)trans-117.9131.6-177.459.90000111.7Q680 I681T672-Q680 CarbonylContact C-O 3.57Å; T672-Q680 WeakPolarHBondContact CA-O 3.19Å; T672-I681 HydrophobicContact CG2-CG1 4.26Å; T672-I681 HydrophobicContact CG2-CG2 4.45Å
673K79.2Confident87.1Confident88 Ų8851.7 Ų51.738%0.38325%0.25SS..EExtended strand (participates in β ladder)trans-122.4108.2178.6-64.9179.4-179.6177.10109.1S462 Q680S462-K673 PolarHBondContact OG-NZ 2.78Å; K673-Q680 HydrophobicContact CB-CB 4.47Å; K673-Q680 PolarHBondContact N-O 2.75Å; K673-Q680 PolarHBondContact O-N 2.74Å
674F74Confident86.9Confident87 Ų8751 Ų5138%0.38225%0.253SS..EExtended strand (participates in β ladder)trans-80.7125.9175.9176.2-116.9000110.2L557 G676 Y678 L679 I710L557-F674 HydrophobicContact CD1-CB 4.44Å; F674-G676 WeakPolarHBondContact CE2-O 3.48Å; F674-G676 WeakPolarHBondContact CZ-O 3.25Å; F674-Y678 WeakPolarHBondContact CD2-O 3.34Å; F674-L679 HydrophobicContact CB-CD1 3.94Å; F674-I710 HydrophobicContact CD2-CG2 4.32Å; F674-I710 HydrophobicContact CE2-CB 4.46Å; F674-I710 HydrophobicContact CE2-CG2 3.69Å
675R73.2Confident86.6Confident140 Ų14051.8 Ų51.853%0.52826%0.262SS..  trans-121.947.8-179.1-65-169.6-179-164-0.2111.2K677 Y678R675-K677 PolarHBondContact O-N 3.13Å; R675-Y678 HydrophobicContact CB-CD1 4.45Å; R675-Y678 HydrophobicContact CB-CD2 4.11Å; R675-Y678 HydrophobicContact CB-CE1 4.01Å; R675-Y678 HydrophobicContact CB-CE2 3.68Å; R675-Y678 HydrophobicContact CB-CG 4.49Å; R675-Y678 WeakPolarHBondContact CD-OH 3.44Å; R675-Y678 HydrophobicContact CG-CE2 4.06Å; R675-Y678 PolarHBondContact N-O 2.89Å
676G70Confident86.5Confident32 Ų3251 Ų5133%0.3326%0.259SS..SBendtrans73.3-77.4175.600000113.8F674 I711F674-G676 WeakPolarHBondContact CE2-O 3.48Å; F674-G676 WeakPolarHBondContact CZ-O 3.25Å; G676-I711 VanDerWaalsContact O-CD1 3.23Å; G676-I711 WeakPolarHBondContact O-CD1 3.27Å; G676-I711 WeakPolarHBondContact O-CG1 3.12Å
677K73.2Confident86.5Confident145 Ų14551 Ų5163%0.6326%0.26SS*.SBendtrans-80.2-21.7-178.3-69.4-179.9179.2175.40113.4R675 N709 I710R675-K677 PolarHBondContact O-N 3.13Å; K677-N709 PolarHBondContact O-N 3.09Å; K677-I710 PolarHBondContact O-N 3.04Å
678Y81.3Confident86.7Confident74 Ų7449.4 Ų49.429%0.2925%0.251SS..  trans-141.4161.6-173.360.4-88.1000112.6F674 R675 T706 V707F674-Y678 WeakPolarHBondContact CD2-O 3.34Å; R675-Y678 HydrophobicContact CB-CD1 4.45Å; R675-Y678 HydrophobicContact CB-CD2 4.11Å; R675-Y678 HydrophobicContact CB-CE1 4.01Å; R675-Y678 HydrophobicContact CB-CE2 3.68Å; R675-Y678 HydrophobicContact CB-CG 4.49Å; R675-Y678 WeakPolarHBondContact CD-OH 3.44Å; R675-Y678 HydrophobicContact CG-CE2 4.06Å; R675-Y678 PolarHBondContact N-O 2.89Å; Y678-T706 HydrophobicContact CD2-CG2 3.53Å; Y678-T706 HydrophobicContact CE2-CG2 4.26Å; Y678-T706 HydrophobicContact CG-CG2 4.01Å; Y678-V707 CarbonylContact C-O 3.57Å; Y678-V707 VanDerWaalsContact CA-O 3.24Å; Y678-V707 WeakPolarHBondContact CA-O 3.31Å; Y678-V707 WeakPolarHBondContact CB-O 3.27Å
679L83.2Confident86.9Confident31 Ų3148.4 Ų48.416%0.16225%0.247CC..EExtended strand (participates in β ladder)trans-120.1111.5177.6179.968.7000108.8L557 F674 V707 I710L557-L679 HydrophobicContact CD1-CD1 4.07Å; F674-L679 HydrophobicContact CB-CD1 3.94Å; L679-V707 HydrophobicContact CB-CB 4.39Å; L679-V707 PolarHBondContact N-O 3.21Å; L679-V707 PolarHBondContact O-N 3.42Å; L679-I710 HydrophobicContact CB-CD1 3.91Å; L679-I710 HydrophobicContact CB-CG1 4.03Å
680Q87.9Confident87.1Confident37 Ų3748.2 Ų48.217%0.17325%0.245CC..EExtended strand (participates in β ladder)trans-85125.6174.9-169.1179.831.800109.5T672 K673T672-Q680 CarbonylContact C-O 3.57Å; T672-Q680 WeakPolarHBondContact CA-O 3.19Å; K673-Q680 HydrophobicContact CB-CB 4.47Å; K673-Q680 PolarHBondContact N-O 2.75Å; K673-Q680 PolarHBondContact O-N 2.74Å
681I90.3Very high87.5Confident37 Ų3745.1 Ų45.119%0.1923%0.23CC..EExtended strand (participates in β ladder)trans-108123.8175.1-52.8178000106.9M670 T672 P704 L705 V707M670-I681 HydrophobicContact CB-CG2 4.26Å; M670-I681 HydrophobicContact SD-CG2 4.36Å; T672-I681 HydrophobicContact CG2-CG1 4.26Å; T672-I681 HydrophobicContact CG2-CG2 4.45Å; I681-P704 CarbonylContact O-C 3.54Å; I681-P704 WeakPolarHBondContact O-CA 3.43Å; I681-L705 HydrophobicContact CB-CB 4.45Å; I681-L705 PolarHBondContact N-O 3Å; I681-L705 PolarHBondContact O-N 3.18Å; I681-V707 HydrophobicContact CD1-CG2 3.77Å; I681-V707 HydrophobicContact CG1-CG2 4.33Å
682N92Very high88.1Confident26 Ų2646.8 Ų46.814%0.13923%0.228CC..EExtended strand (participates in β ladder)trans-116106.1-178.9-43.2-91.1000107.4M670 T671M670-N682 WeakPolarHBondContact CA-O 3.2Å; T671-N682 PolarHBondContact N-O 2.86Å; T671-N682 PolarHBondContact O-N 2.83Å; T671-N682 PolarHBondContact O-ND2 3.06Å; T671-N682 VanDerWaalsContact O-ND2 3.16Å
683P94Very high88.8Confident23 Ų2350.6 Ų50.615%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-55.7147.9168.3-26.737.3000111.7F668 K702 I703 L705F668-P683 HydrophobicContact CE2-CB 3.93Å; F668-P683 HydrophobicContact CE2-CG 4.39Å; P683-K702 HydrophobicContact CB-CB 3.76Å; P683-K702 HydrophobicContact CG-CB 3.99Å; P683-I703 VanDerWaalsContact CD-O 3.28Å; P683-I703 WeakPolarHBondContact CD-O 3.23Å; P683-I703 WeakPolarHBondContact CG-O 3.47Å; P683-L705 HydrophobicContact CG-CD1 3.72Å
684V93.3Very high89.6Confident55 Ų5548.6 Ų48.633%0.33323%0.231SC..EExtended strand (participates in β ladder)trans-137.8134.1175.1-176.90000108S669 T671S669-V684 PolarHBondContact N-O 2.88Å; S669-V684 PolarHBondContact O-N 2.94Å; T671-V684 HydrophobicContact CG2-CG2 4.26Å
685G92.8Very high90.6Very high18 Ų1846.2 Ų46.219%0.18623%0.231CC..SBendtrans132.5163.8-175.600000110.9D667 H701D667-G685 VanDerWaalsContact CG-CA 3.45Å; D667-G685 WeakPolarHBondContact O-CA 3.35Å; D667-G685 VanDerWaalsContact OD1-CA 3.31Å; D667-G685 WeakPolarHBondContact OD1-CA 3.33Å; D667-G685 WeakPolarHBondContact OD2-CA 3.45Å; G685-H701 PolarHBondContact O-CD2 3.43Å; G685-H701 VanDerWaalsContact O-CD2 3.28Å
686T95.7Very high91.8Very high5 Ų541.2 Ų41.23%0.03121%0.213CC..  trans-116.5132.6-176.5-49.70000110.7F666 D667 H688 H701 T935F666-T686 WeakPolarHBondContact CA-O 3.41Å; F666-T686 WeakPolarHBondContact CB-O 3.34Å; D667-T686 PolarHBondContact OD1-N 3.3Å; T686-H688 PolarHBondContact O-CD2 3.22Å; T686-H688 VanDerWaalsContact O-CD2 3.3Å; T686-H701 VanDerWaalsContact CA-NE2 3.34Å; T686-H701 WeakPolarHBondContact CA-NE2 3.31Å; T686-H701 WeakPolarHBondContact CB-NE2 3.39Å; T686-H701 WeakPolarHBondContact CG2-NE2 3.26Å; T686-H701 PolarHBondContact OG1-NE2 3.37Å; T686-T935 HydrophobicContact CG2-CG2 3.95Å
687C98.1Very high93.1Very high4 Ų440.3 Ų40.33%0.02720%0.2CC..EExtended strand (participates in β ladder)trans-92.8135.6174.8-59.30000110.6F666 T699 W700F666-C687 HydrophobicContact CB-CB 4.3Å; C687-T699 WeakPolarHBondContact O-CA 3.48Å; C687-T699 WeakPolarHBondContact O-CB 3.48Å; C687-W700 HydrophobicContact CB-CD2 3.62Å; C687-W700 HydrophobicContact CB-CE3 4.07Å; C687-W700 HydrophobicContact CB-CG 4.15Å; C687-W700 HydrophobicContact CB-CH2 3.9Å; C687-W700 HydrophobicContact CB-CZ2 3.43Å; C687-W700 VanDerWaalsContact CB-CZ2 3.43Å; C687-W700 HydrophobicContact CB-CZ3 4.19Å; C687-W700 PolarHBondContact N-O 2.83Å; C687-W700 PolarHBondContact O-N 3.33Å; C687-W700 VanDerWaalsContact O-N 3.12Å
688H98.1Very high94.3Very high1 Ų133.4 Ų33.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128.9135.2-177.4-60.6-100.4000109.9C664 W665 T686 H697 Y698 T699 D932C664-H688 CarbonylContact C-O 3.6Å; C664-H688 VanDerWaalsContact CA-O 3.25Å; C664-H688 WeakPolarHBondContact CA-O 3.36Å; C664-H688 PolarHBondContact SG-O 3.5Å; W665-H688 HydrophobicContact CD2-CB 3.57Å; W665-H688 AromaticContact CE2-CD2 3.98Å; W665-H688 AromaticContact CE2-CG 3.63Å; W665-H688 HydrophobicContact CE3-CB 3.76Å; W665-H688 HydrophobicContact CG-CB 4.26Å; W665-H688 HydrophobicContact CH2-CB 3.71Å; W665-H688 HydrophobicContact CZ2-CB 3.49Å; W665-H688 VanDerWaalsContact CZ2-CB 3.49Å; W665-H688 AromaticContact CZ2-CG 3.69Å; W665-H688 AromaticContact CZ2-ND1 3.87Å; W665-H688 HydrophobicContact CZ3-CB 3.83Å; W665-H688 PolarHBondContact N-O 3.49Å; W665-H688 AromaticContact NE1-CD2 3.64Å; W665-H688 AromaticContact NE1-CG 3.79Å; W665-H688 PolarHBondContact O-N 2.99Å; T686-H688 PolarHBondContact O-CD2 3.22Å; T686-H688 VanDerWaalsContact O-CD2 3.3Å; H688-H697 AromaticContact CG-NE2 3.85Å; H688-H697 AromaticContact ND1-CE1 3.76Å; H688-H697 AromaticContact ND1-NE2 3.35Å; H688-H697 PolarHBondContact ND1-NE2 3.02Å; H688-Y698 WeakPolarHBondContact CA-O 3.19Å; H688-T699 WeakPolarHBondContact ND1-CG2 3.46Å; H688-D932 IonicContact CE1-OD2 3.68Å; H688-D932 PolarHBondContact CE1-OD2 2.95Å
689L98.6Very high95.1Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-137.2132.8178.1167.871000109.7L586 V602 W662 Y663 C664 F691 H697 Y698 W700L586-L689 HydrophobicContact CD1-CD1 3.99Å; L586-L689 HydrophobicContact CD2-CD1 4.26Å; L586-L689 HydrophobicContact CD2-CD2 3.62Å; V602-L689 HydrophobicContact CG1-CD2 3.96Å; V602-L689 HydrophobicContact CG2-CD2 3.75Å; W662-L689 HydrophobicContact CB-CD1 4.14Å; W662-L689 HydrophobicContact CE3-CD1 4.37Å; Y663-L689 WeakPolarHBondContact O-CA 3.4Å; C664-L689 HydrophobicContact CB-CD1 4.16Å; L689-F691 HydrophobicContact CD2-CE2 3.85Å; L689-F691 HydrophobicContact CD2-CZ 3.79Å; L689-F691 HydrophobicContact CG-CE2 4.22Å; L689-F691 HydrophobicContact CG-CZ 4.33Å; L689-H697 CarbonylContact O-C 3.49Å; L689-H697 WeakPolarHBondContact O-CA 3.44Å; L689-H697 PolarHBondContact O-CD2 3.05Å; L689-Y698 PolarHBondContact N-O 3.49Å; L689-Y698 PolarHBondContact O-N 2.94Å; L689-W700 HydrophobicContact CB-CH2 4.13Å; L689-W700 HydrophobicContact CB-CZ3 3.76Å
690V98.2Very high95.8Very high11 Ų1129 Ų297%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-127.3131.1176177.30000110.9W662 Y663 W665 H696 H697W662-V690 CarbonylContact C-O 3.48Å; W662-V690 VanDerWaalsContact CA-O 3.23Å; W662-V690 WeakPolarHBondContact CA-O 3.33Å; Y663-V690 HydrophobicContact CD1-CB 4.19Å; Y663-V690 HydrophobicContact CD1-CG1 4.49Å; Y663-V690 HydrophobicContact CD2-CB 4.47Å; Y663-V690 HydrophobicContact CE1-CB 3.66Å; Y663-V690 HydrophobicContact CE1-CG1 3.64Å; Y663-V690 HydrophobicContact CE2-CB 3.99Å; Y663-V690 HydrophobicContact CE2-CG2 4.17Å; Y663-V690 PolarHBondContact N-O 3.05Å; Y663-V690 PolarHBondContact O-N 3.41Å; W665-V690 HydrophobicContact CH2-CG2 3.97Å; W665-V690 HydrophobicContact CZ3-CG2 3.8Å; V690-H696 WeakPolarHBondContact CA-O 3.47Å; V690-H697 HydrophobicContact CG2-CB 3.94Å
691F98.4Very high96.2Very high2 Ų230.1 Ų30.11%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-89.1116.9172-68.2-75.9000110.8L586 A589 A590 Q598 V602 W662 L689 R693 T694 G695 H696 Y698L586-F691 WeakPolarHBondContact O-CE1 3.42Å; A589-F691 HydrophobicContact CB-CE1 3.74Å; A589-F691 HydrophobicContact CB-CE2 4.45Å; A589-F691 HydrophobicContact CB-CZ 3.45Å; A589-F691 VanDerWaalsContact CB-CZ 3.45Å; A590-F691 HydrophobicContact CB-CD1 3.7Å; A590-F691 HydrophobicContact CB-CE1 3.94Å; Q598-F691 HydrophobicContact CG-CD2 4.28Å; Q598-F691 HydrophobicContact CG-CE2 3.87Å; Q598-F691 HydrophobicContact CG-CZ 4.23Å; V602-F691 HydrophobicContact CG2-CE2 3.76Å; V602-F691 HydrophobicContact CG2-CZ 3.76Å; W662-F691 HydrophobicContact CB-CD1 3.88Å; W662-F691 HydrophobicContact CB-CE1 4.09Å; L689-F691 HydrophobicContact CD2-CE2 3.85Å; L689-F691 HydrophobicContact CD2-CZ 3.79Å; L689-F691 HydrophobicContact CG-CE2 4.22Å; L689-F691 HydrophobicContact CG-CZ 4.33Å; F691-R693 PolarHBondContact O-N 3.14Å; F691-T694 PolarHBondContact O-N 3.06Å; F691-G695 WeakPolarHBondContact O-CA 3.13Å; F691-G695 PolarHBondContact O-N 3.28Å; F691-H696 HydrophobicContact CD2-CB 4.49Å; F691-H696 PolarHBondContact N-O 3.45Å; F691-H696 VanDerWaalsContact N-O 3.15Å; F691-Y698 AromaticContact CD2-CD2 3.92Å; F691-Y698 HydrophobicContact CD2-CD2 3.92Å; F691-Y698 AromaticContact CD2-CE2 3.63Å; F691-Y698 HydrophobicContact CD2-CE2 3.63Å; F691-Y698 AromaticContact CE2-CD2 3.73Å; F691-Y698 HydrophobicContact CE2-CD2 3.73Å; F691-Y698 AromaticContact CE2-CE2 3.52Å; F691-Y698 HydrophobicContact CE2-CE2 3.52Å
692R97Very high96.5Very high102 Ų10230.1 Ų30.139%0.38516%0.155SC..THydrogen-bonded Turntrans-60.4-31.7-173.3-60.5-170.8-166.8-110.113.8112.8E658 S659 A661 Y663E658-R692 IonicContact OE2-NH2 3.62Å; E658-R692 PolarHBondContact OE2-NH2 2.88Å; S659-R692 PolarHBondContact O-NE 3.42Å; S659-R692 PolarHBondContact O-NH2 3.03Å; A661-R692 PolarHBondContact O-N 2.96Å; Y663-R692 HydrophobicContact CD1-CG 3.95Å; Y663-R692 HydrophobicContact CE1-CG 4.28Å
693R95.8Very high96.8Very high145 Ų14529 Ų2955%0.54715%0.149SC..THydrogen-bonded Turntrans-73.5-33.7-179.1-177.617861.378.2-1.9114.6A590 C592 F691A590-R693 PolarHBondContact O-NE 3.15Å; A590-R693 VanDerWaalsContact O-NE 3.09Å; A590-R693 PolarHBondContact O-NH2 3.3Å; C592-R693 PolarHBondContact O-NH2 3.28Å; F691-R693 PolarHBondContact O-N 3.14Å
694T95.5Very high96.8Very high46 Ų4629.8 Ų29.828%0.28215%0.154SC..THydrogen-bonded Turntrans-113.1-14.7-173.959.20000113.4F691 H696F691-T694 PolarHBondContact O-N 3.06Å; T694-H696 PolarHBondContact O-N 2.95Å; T694-H696 WeakPolarHBondContact OG1-CB 3.17Å; T694-H696 PolarHBondContact OG1-N 2.89Å; T694-H696 PolarHBondContact OG1-ND1 3.15Å
695G96.2Very high96.9Very high37 Ų3728.4 Ų28.438%0.38115%0.145SC..  trans67.88.9-171.400000114F691 H697 N729F691-G695 WeakPolarHBondContact O-CA 3.13Å; F691-G695 PolarHBondContact O-N 3.28Å; G695-H697 PolarHBondContact O-N 2.96Å; G695-N729 PolarHBondContact O-ND2 2.98Å; G695-N729 PolarHBondContact O-OD1 2.83Å
696H97.6Very high96.9Very high35 Ų3528.1 Ų28.116%0.16214%0.139CC..  trans-67.5121.2179-65.5172.5000110.7Q598 V690 F691 T694 Y698 N729Q598-H696 PolarHBondContact OE1-ND1 2.74Å; V690-H696 WeakPolarHBondContact CA-O 3.47Å; F691-H696 HydrophobicContact CD2-CB 4.49Å; F691-H696 PolarHBondContact N-O 3.45Å; F691-H696 VanDerWaalsContact N-O 3.15Å; T694-H696 PolarHBondContact O-N 2.95Å; T694-H696 WeakPolarHBondContact OG1-CB 3.17Å; T694-H696 PolarHBondContact OG1-N 2.89Å; T694-H696 PolarHBondContact OG1-ND1 3.15Å; H696-Y698 HydrophobicContact CB-CD2 4.26Å; H696-Y698 HydrophobicContact CB-CE2 3.63Å; H696-N729 WeakPolarHBondContact CA-OD1 3.06Å
697H97.7Very high96.6Very high13 Ų1328.6 Ų28.66%0.0614%0.142CC..EExtended strand (participates in β ladder)trans-104.5114.7178.1-169.9-178.3000110W665 H688 L689 V690 G695 H728 N729 D932 F934W665-H697 AromaticContact CH2-CE1 3.7Å; W665-H697 AromaticContact CH2-NE2 3.35Å; W665-H697 VanDerWaalsContact CH2-NE2 3.35Å; W665-H697 WeakPolarHBondContact CH2-NE2 3.41Å; W665-H697 AromaticContact CZ2-CE1 4Å; W665-H697 AromaticContact CZ2-NE2 3.79Å; H688-H697 AromaticContact CG-NE2 3.85Å; H688-H697 AromaticContact ND1-CE1 3.76Å; H688-H697 AromaticContact ND1-NE2 3.35Å; H688-H697 PolarHBondContact ND1-NE2 3.02Å; L689-H697 CarbonylContact O-C 3.49Å; L689-H697 WeakPolarHBondContact O-CA 3.44Å; L689-H697 PolarHBondContact O-CD2 3.05Å; V690-H697 HydrophobicContact CG2-CB 3.94Å; G695-H697 PolarHBondContact O-N 2.96Å; H697-H728 PolarHBondContact O-CD2 2.82Å; H697-H728 PolarHBondContact O-N 2.89Å; H697-N729 PolarHBondContact N-OD1 3.26Å; H697-D932 IonicContact CE1-OD1 2.73Å; H697-F934 AromaticContact CE1-CD2 3.7Å; H697-F934 AromaticContact ND1-CD2 3.21Å; H697-F934 WeakPolarHBondContact ND1-CD2 3.48Å; H697-F934 AromaticContact ND1-CE2 3.24Å; H697-F934 WeakPolarHBondContact ND1-CE2 3.4Å
698Y98.4Very high96Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-101.2141.4176.4-67.8-103.8000110.3S595 Q598 M599 V602 H688 L689 F691 H696 I725 I726 N727S595-Y698 PolarHBondContact O-OH 2.97Å; Q598-Y698 HydrophobicContact CG-CE2 4.35Å; Q598-Y698 WeakPolarHBondContact CG-OH 3.41Å; Q598-Y698 PolarHBondContact OE1-OH 3.46Å; M599-Y698 HydrophobicContact CB-CE1 4.02Å; M599-Y698 HydrophobicContact CE-CD1 3.77Å; M599-Y698 HydrophobicContact CE-CE1 3.54Å; M599-Y698 HydrophobicContact CG-CE1 4.41Å; M599-Y698 HydrophobicContact SD-CD1 3.8Å; M599-Y698 HydrophobicContact SD-CE1 3.61Å; V602-Y698 HydrophobicContact CB-CD1 4.4Å; V602-Y698 HydrophobicContact CG1-CD1 4.1Å; V602-Y698 HydrophobicContact CG1-CG 4.38Å; V602-Y698 HydrophobicContact CG2-CD1 4.22Å; V602-Y698 HydrophobicContact CG2-CE1 4.21Å; V602-Y698 HydrophobicContact CG2-CG 4.4Å; H688-Y698 WeakPolarHBondContact CA-O 3.19Å; L689-Y698 PolarHBondContact N-O 3.49Å; L689-Y698 PolarHBondContact O-N 2.94Å; F691-Y698 AromaticContact CD2-CD2 3.92Å; F691-Y698 HydrophobicContact CD2-CD2 3.92Å; F691-Y698 AromaticContact CD2-CE2 3.63Å; F691-Y698 HydrophobicContact CD2-CE2 3.63Å; F691-Y698 AromaticContact CE2-CD2 3.73Å; F691-Y698 HydrophobicContact CE2-CD2 3.73Å; F691-Y698 AromaticContact CE2-CE2 3.52Å; F691-Y698 HydrophobicContact CE2-CE2 3.52Å; H696-Y698 HydrophobicContact CB-CD2 4.26Å; H696-Y698 HydrophobicContact CB-CE2 3.63Å; Y698-I725 HydrophobicContact CD1-CG2 4.2Å; Y698-I726 CarbonylContact C-O 3.59Å; Y698-I726 VanDerWaalsContact CA-O 3.26Å; Y698-I726 WeakPolarHBondContact CA-O 3.23Å; Y698-N727 HydrophobicContact CD1-CB 4.01Å; Y698-N727 HydrophobicContact CE1-CB 3.74Å; Y698-N727 PolarHBondContact OH-ND2 3.31Å
699T98.2Very high95.2Very high2 Ų233 Ų331%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-136.3147.5168.565.40000113.8C687 H688 I725 I726 H728 T935C687-T699 WeakPolarHBondContact O-CA 3.48Å; C687-T699 WeakPolarHBondContact O-CB 3.48Å; H688-T699 WeakPolarHBondContact ND1-CG2 3.46Å; T699-I725 WeakPolarHBondContact O-CA 3.36Å; T699-I726 PolarHBondContact N-O 2.91Å; T699-I726 PolarHBondContact O-N 2.79Å; T699-H728 WeakPolarHBondContact CG2-NE2 3.04Å; T699-H728 PolarHBondContact OG1-NE2 3.13Å; T699-T935 HydrophobicContact CG2-CG2 4.05Å
700W98Very high94Very high10 Ų1033.4 Ų33.44%0.03817%0.166CC..EExtended strand (participates in β ladder)trans-148.9173.3173.968.4100.2000112F605 T606 C687 L689 M723 D724 I725F605-W700 HydrophobicContact CD1-CH2 4.28Å; F605-W700 HydrophobicContact CD1-CZ2 4.27Å; F605-W700 AromaticContact CE1-CH2 3.97Å; F605-W700 HydrophobicContact CE1-CH2 3.97Å; F605-W700 AromaticContact CE1-CZ2 3.92Å; F605-W700 HydrophobicContact CE1-CZ2 3.92Å; T606-W700 HydrophobicContact CG2-CD2 3.65Å; T606-W700 VanDerWaalsContact CG2-CE2 3.44Å; T606-W700 HydrophobicContact CG2-CE3 4.26Å; T606-W700 HydrophobicContact CG2-CG 3.91Å; T606-W700 HydrophobicContact CG2-CZ2 3.93Å; C687-W700 HydrophobicContact CB-CD2 3.62Å; C687-W700 HydrophobicContact CB-CE3 4.07Å; C687-W700 HydrophobicContact CB-CG 4.15Å; C687-W700 HydrophobicContact CB-CH2 3.9Å; C687-W700 HydrophobicContact CB-CZ2 3.43Å; C687-W700 VanDerWaalsContact CB-CZ2 3.43Å; C687-W700 HydrophobicContact CB-CZ3 4.19Å; C687-W700 PolarHBondContact N-O 2.83Å; C687-W700 PolarHBondContact O-N 3.33Å; C687-W700 VanDerWaalsContact O-N 3.12Å; L689-W700 HydrophobicContact CB-CH2 4.13Å; L689-W700 HydrophobicContact CB-CZ3 3.76Å; W700-M723 HydrophobicContact CB-CG 4.35Å; W700-M723 HydrophobicContact CB-SD 4.4Å; W700-M723 HydrophobicContact CG-SD 4.35Å; W700-D724 WeakPolarHBondContact CA-O 3.42Å; W700-D724 WeakPolarHBondContact CB-O 3.28Å; W700-I725 HydrophobicContact CB-CB 4.38Å; W700-I725 HydrophobicContact CB-CG1 4Å; W700-I725 HydrophobicContact CB-CG2 4.4Å; W700-I725 HydrophobicContact CE3-CG2 4.43Å
701H96.8Very high92.4Very high61 Ų6135.4 Ų35.428%0.28218%0.176SC..  trans-120.7141.5174.9-63.690.3000109.8N465 G685 T686 K937N465-H701 PolarHBondContact ND2-ND1 3.49Å; G685-H701 PolarHBondContact O-CD2 3.43Å; G685-H701 VanDerWaalsContact O-CD2 3.28Å; T686-H701 VanDerWaalsContact CA-NE2 3.34Å; T686-H701 WeakPolarHBondContact CA-NE2 3.31Å; T686-H701 WeakPolarHBondContact CB-NE2 3.39Å; T686-H701 WeakPolarHBondContact CG2-NE2 3.26Å; T686-H701 PolarHBondContact OG1-NE2 3.37Å; H701-K937 PolarHBondContact NE2-NZ 2.86Å
702K97.2Very high90.7Very high36 Ų3640 Ų4016%0.15720%0.204CC..PPolyproline II helixtrans-74.1144.9175.2-69.4-164.4-176.8-173.50111.4D579 Y610 F668 P683D579-K702 IonicContact OD1-NZ 3.45Å; D579-K702 PolarHBondContact OD1-NZ 3.48Å; D579-K702 WeakPolarHBondContact OD2-CE 3.44Å; D579-K702 IonicContact OD2-NZ 3.91Å; D579-K702 PolarHBondContact OD2-NZ 3.38Å; Y610-K702 VanDerWaalsContact OH-CA 3.31Å; Y610-K702 WeakPolarHBondContact OH-CA 3.47Å; Y610-K702 WeakPolarHBondContact OH-CB 3.1Å; F668-K702 HydrophobicContact CE2-CD 4.43Å; P683-K702 HydrophobicContact CB-CB 3.76Å; P683-K702 HydrophobicContact CG-CB 3.99Å
703I96.9Very high89.2Confident3 Ų337.9 Ų37.92%0.01521%0.214CC..PPolyproline II helixtrans-85.4160.7-17656156.1000112.9Y610 P683 N719 M723 Y738Y610-I703 HydrophobicContact CD1-CG1 4.49Å; Y610-I703 HydrophobicContact CE1-CD1 4.36Å; Y610-I703 HydrophobicContact CE1-CG1 3.66Å; Y610-I703 HydrophobicContact CE2-CG1 4.36Å; Y610-I703 PolarHBondContact OH-N 2.94Å; P683-I703 VanDerWaalsContact CD-O 3.28Å; P683-I703 WeakPolarHBondContact CD-O 3.23Å; P683-I703 WeakPolarHBondContact CG-O 3.47Å; I703-N719 HydrophobicContact CD1-CB 3.98Å; I703-M723 HydrophobicContact CG2-CB 3.93Å; I703-M723 HydrophobicContact CG2-CE 3.99Å; I703-Y738 HydrophobicContact CD1-CD1 3.44Å; I703-Y738 VanDerWaalsContact CD1-CD1 3.44Å; I703-Y738 HydrophobicContact CD1-CD2 3.79Å; I703-Y738 HydrophobicContact CD1-CE1 3.82Å; I703-Y738 HydrophobicContact CD1-CE2 4.14Å; I703-Y738 HydrophobicContact CD1-CG 3.44Å; I703-Y738 VanDerWaalsContact CD1-CG 3.44Å
704P95.2Very high88.3Confident39 Ų3940.3 Ų40.325%0.25322%0.223SC..PPolyproline II helixtrans-63.4144172.6-21.734.5000113.4I681 S720I681-P704 CarbonylContact O-C 3.54Å; I681-P704 WeakPolarHBondContact O-CA 3.43Å; P704-S720 PolarHBondContact O-N 2.91Å
705L94.6Very high87.8Confident27 Ų2740 Ų4014%0.14122%0.22CC..EExtended strand (participates in β ladder)trans-111.1139.4172.6-50.687.1000108.8T613 I681 P683 I717 D718 N719T613-L705 HydrophobicContact CG2-CD2 4.17Å; I681-L705 HydrophobicContact CB-CB 4.45Å; I681-L705 PolarHBondContact N-O 3Å; I681-L705 PolarHBondContact O-N 3.18Å; P683-L705 HydrophobicContact CG-CD1 3.72Å; L705-I717 HydrophobicContact CB-CG2 4.14Å; L705-I717 HydrophobicContact CD2-CG2 4.29Å; L705-D718 CarbonylContact C-O 3.55Å; L705-D718 WeakPolarHBondContact CA-O 3.48Å; L705-N719 VanDerWaalsContact CD2-OD1 3.24Å; L705-N719 WeakPolarHBondContact CD2-OD1 3.38Å; L705-N719 VanDerWaalsContact CG-OD1 3.23Å; L705-N719 WeakPolarHBondContact CG-OD1 3.5Å
706T92.1Very high87.4Confident11 Ų1141.2 Ų41.27%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-115.5115.1176.8-56.60000110Y678 H708 I717 D718Y678-T706 HydrophobicContact CD2-CG2 3.53Å; Y678-T706 HydrophobicContact CE2-CG2 4.26Å; Y678-T706 HydrophobicContact CG-CG2 4.01Å; T706-H708 VanDerWaalsContact CG2-NE2 3.33Å; T706-H708 WeakPolarHBondContact CG2-NE2 3.33Å; T706-H708 PolarHBondContact O-CD2 3.1Å; T706-H708 VanDerWaalsContact O-CD2 3.23Å; T706-I717 WeakPolarHBondContact O-CA 3.29Å; T706-D718 PolarHBondContact N-O 2.94Å; T706-D718 PolarHBondContact O-N 2.62Å
707V89.9Confident87.2Confident16 Ų1640.5 Ų40.510%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-90.5113.3174.1-165.90000108.8Y678 L679 I681 I710 W716 I717Y678-V707 CarbonylContact C-O 3.57Å; Y678-V707 VanDerWaalsContact CA-O 3.24Å; Y678-V707 WeakPolarHBondContact CA-O 3.31Å; Y678-V707 WeakPolarHBondContact CB-O 3.27Å; L679-V707 HydrophobicContact CB-CB 4.39Å; L679-V707 PolarHBondContact N-O 3.21Å; L679-V707 PolarHBondContact O-N 3.42Å; I681-V707 HydrophobicContact CD1-CG2 3.77Å; I681-V707 HydrophobicContact CG1-CG2 4.33Å; V707-I710 HydrophobicContact CB-CD1 4.06Å; V707-I710 HydrophobicContact CG1-CD1 3.79Å; V707-I710 VanDerWaalsContact O-CG1 3.31Å; V707-I710 WeakPolarHBondContact O-CG1 3.48Å; V707-W716 WeakPolarHBondContact CA-O 3.25Å; V707-I717 HydrophobicContact CG2-CG1 4.29Å
708H86Confident87Confident43 Ų4340.2 Ų40.220%0.19921%0.209CC..EExtended strand (participates in β ladder)trans-91171.9-177.1-68.1-95.1000112.4T706 I710 L715 W716T706-H708 VanDerWaalsContact CG2-NE2 3.33Å; T706-H708 WeakPolarHBondContact CG2-NE2 3.33Å; T706-H708 PolarHBondContact O-CD2 3.1Å; T706-H708 VanDerWaalsContact O-CD2 3.23Å; H708-I710 VanDerWaalsContact C-N 3.25Å; H708-I710 PolarHBondContact O-N 2.86Å; H708-L715 WeakPolarHBondContact O-CD2 3.37Å; H708-W716 HydrophobicContact CB-CD2 3.86Å; H708-W716 HydrophobicContact CB-CG 4.17Å; H708-W716 HydrophobicContact CB-CH2 4.41Å; H708-W716 HydrophobicContact CB-CZ2 3.7Å; H708-W716 AromaticContact CD2-CE2 3.98Å; H708-W716 AromaticContact CD2-CE3 3.88Å; H708-W716 AromaticContact CD2-CH2 3.56Å; H708-W716 AromaticContact CD2-CZ2 3.75Å; H708-W716 AromaticContact CD2-CZ3 3.64Å; H708-W716 AromaticContact CE1-CH2 3.96Å; H708-W716 AromaticContact CG-CE2 3.66Å; H708-W716 AromaticContact CG-CH2 3.77Å; H708-W716 AromaticContact CG-CZ2 3.47Å; H708-W716 VanDerWaalsContact CG-CZ2 3.47Å; H708-W716 PolarHBondContact N-O 2.85Å; H708-W716 AromaticContact ND1-CZ2 3.77Å; H708-W716 AromaticContact NE2-CH2 3.73Å; H708-W716 AromaticContact NE2-CZ3 3.98Å
709N81Confident86.9Confident55 Ų5540.2 Ų40.229%0.29421%0.209SC..  trans59.329.8174.2-67.1-5.7000114.9K677 I711 V712 R714 W716K677-N709 PolarHBondContact O-N 3.09Å; N709-I711 PolarHBondContact O-N 2.91Å; N709-V712 WeakPolarHBondContact CA-O 3.35Å; N709-V712 VanDerWaalsContact CB-O 3.28Å; N709-V712 WeakPolarHBondContact CB-O 3.43Å; N709-V712 PolarHBondContact O-N 2.93Å; N709-R714 VanDerWaalsContact CB-O 3.23Å; N709-R714 WeakPolarHBondContact CB-O 2.88Å; N709-R714 PolarHBondContact ND2-O 2.76Å; N709-W716 PolarHBondContact ND2-NE1 3.44Å
710I72.8Confident86.8Confident8 Ų841.2 Ų41.24%0.04122%0.216CC..SBendtrans-61.4-29.1-174.6-66.4-71.8000112.6L545 M549 F674 K677 L679 V707 H708 L715L545-I710 HydrophobicContact CD2-CD1 4.48Å; M549-I710 HydrophobicContact CE-CB 4.45Å; M549-I710 HydrophobicContact CE-CG2 3.28Å; M549-I710 WeakPolarHBondContact CE-O 3.25Å; M549-I710 HydrophobicContact SD-CG2 3.76Å; F674-I710 HydrophobicContact CD2-CG2 4.32Å; F674-I710 HydrophobicContact CE2-CB 4.46Å; F674-I710 HydrophobicContact CE2-CG2 3.69Å; K677-I710 PolarHBondContact O-N 3.04Å; L679-I710 HydrophobicContact CB-CD1 3.91Å; L679-I710 HydrophobicContact CB-CG1 4.03Å; V707-I710 HydrophobicContact CB-CD1 4.06Å; V707-I710 HydrophobicContact CG1-CD1 3.79Å; V707-I710 VanDerWaalsContact O-CG1 3.31Å; V707-I710 WeakPolarHBondContact O-CG1 3.48Å; H708-I710 VanDerWaalsContact C-N 3.25Å; H708-I710 PolarHBondContact O-N 2.86Å; I710-L715 HydrophobicContact CD1-CD2 4.03Å
711I64.4Low86.6Confident53 Ų5341.8 Ų41.827%0.27223%0.225SC..SBendtrans-94.5-44.1177.7-50.8-177000112.1W546 G676 N709W546-I711 HydrophobicContact CD2-CB 4.46Å; W546-I711 HydrophobicContact CD2-CG2 3.71Å; W546-I711 HydrophobicContact CE3-CB 4.22Å; W546-I711 HydrophobicContact CE3-CG1 3.97Å; W546-I711 HydrophobicContact CE3-CG2 3.89Å; W546-I711 HydrophobicContact CG-CG2 4.14Å; W546-I711 HydrophobicContact CH2-CD1 4.18Å; W546-I711 HydrophobicContact CH2-CG1 4.32Å; W546-I711 HydrophobicContact CH2-CG2 4.24Å; W546-I711 HydrophobicContact CZ2-CG2 4.1Å; W546-I711 HydrophobicContact CZ3-CB 4.46Å; W546-I711 HydrophobicContact CZ3-CD1 4.1Å; W546-I711 HydrophobicContact CZ3-CG1 3.79Å; W546-I711 HydrophobicContact CZ3-CG2 4.16Å; G676-I711 VanDerWaalsContact O-CD1 3.23Å; G676-I711 WeakPolarHBondContact O-CD1 3.27Å; G676-I711 WeakPolarHBondContact O-CG1 3.12Å; N709-I711 PolarHBondContact O-N 2.91Å
712V64.2Low86.6Confident97 Ų9741.5 Ų41.559%0.58822%0.224SC*.SBendtrans-147.4137.3-172.1-177.20000109.5N709N709-V712 WeakPolarHBondContact CA-O 3.35Å; N709-V712 VanDerWaalsContact CB-O 3.28Å; N709-V712 WeakPolarHBondContact CB-O 3.43Å; N709-V712 PolarHBondContact O-N 2.93Å
713G65.6Low86.6Confident59 Ų5940 Ų4061%0.60822%0.217SC*.SBendtrans108.8178.8177.600000113.4
714R76.3Confident86.6Confident195 Ų19541.4 Ų41.474%0.73623%0.225SC*.  trans-72.7130167.1-177.9177.8177.61641.6108.2N709N709-R714 VanDerWaalsContact CB-O 3.23Å; N709-R714 WeakPolarHBondContact CB-O 2.88Å; N709-R714 PolarHBondContact ND2-O 2.76Å
715L84.2Confident86.8Confident40 Ų4039.5 Ų39.521%0.20921%0.212CC..  trans-59.8144.3171.6-61.3176.2000110.1L545 T617 H708 I710L545-L715 HydrophobicContact CD2-CD1 4.07Å; L545-L715 HydrophobicContact CD2-CD2 4.29Å; T617-L715 HydrophobicContact CG2-CB 3.98Å; H708-L715 WeakPolarHBondContact O-CD2 3.37Å; I710-L715 HydrophobicContact CD1-CD2 4.03Å
716W88.7Confident86.9Confident63 Ų6340.3 Ų40.324%0.23922%0.216CC..EExtended strand (participates in β ladder)trans-152159.1170.160.2-82.2000109.7V707 H708 N709 D718 Y741V707-W716 WeakPolarHBondContact CA-O 3.25Å; H708-W716 HydrophobicContact CB-CD2 3.86Å; H708-W716 HydrophobicContact CB-CG 4.17Å; H708-W716 HydrophobicContact CB-CH2 4.41Å; H708-W716 HydrophobicContact CB-CZ2 3.7Å; H708-W716 AromaticContact CD2-CE2 3.98Å; H708-W716 AromaticContact CD2-CE3 3.88Å; H708-W716 AromaticContact CD2-CH2 3.56Å; H708-W716 AromaticContact CD2-CZ2 3.75Å; H708-W716 AromaticContact CD2-CZ3 3.64Å; H708-W716 AromaticContact CE1-CH2 3.96Å; H708-W716 AromaticContact CG-CE2 3.66Å; H708-W716 AromaticContact CG-CH2 3.77Å; H708-W716 AromaticContact CG-CZ2 3.47Å; H708-W716 VanDerWaalsContact CG-CZ2 3.47Å; H708-W716 PolarHBondContact N-O 2.85Å; H708-W716 AromaticContact ND1-CZ2 3.77Å; H708-W716 AromaticContact NE2-CH2 3.73Å; H708-W716 AromaticContact NE2-CZ3 3.98Å; N709-W716 PolarHBondContact ND2-NE1 3.44Å; W716-D718 HydrophobicContact CZ3-CB 3.85Å; W716-Y741 AromaticContact CH2-CD1 3.56Å; W716-Y741 HydrophobicContact CH2-CD1 3.56Å; W716-Y741 HydrophobicContact CH2-CE1 4.29Å; W716-Y741 AromaticContact CH2-CG 3.77Å; W716-Y741 HydrophobicContact CH2-CG 3.77Å; W716-Y741 HydrophobicContact CZ2-CD1 4.24Å; W716-Y741 HydrophobicContact CZ3-CD1 4.4Å; W716-Y741 HydrophobicContact CZ3-CG 4.17Å
717I92.6Very high87.2Confident20 Ų2039.8 Ų39.810%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-112.8134.1-178.6-58.6179.8000109.1R616 T617 L705 T706 V707R616-I717 WeakPolarHBondContact O-CD1 3.27Å; T617-I717 HydrophobicContact CG2-CG1 4.31Å; L705-I717 HydrophobicContact CB-CG2 4.14Å; L705-I717 HydrophobicContact CD2-CG2 4.29Å; T706-I717 WeakPolarHBondContact O-CA 3.29Å; V707-I717 HydrophobicContact CG2-CG1 4.29Å
718D94.5Very high87.5Confident7 Ų741.6 Ų41.64%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-105.9143.7160.9-162.922.3000110.1L705 T706 W716 P740 Y741L705-D718 CarbonylContact C-O 3.55Å; L705-D718 WeakPolarHBondContact CA-O 3.48Å; T706-D718 PolarHBondContact N-O 2.94Å; T706-D718 PolarHBondContact O-N 2.62Å; W716-D718 HydrophobicContact CZ3-CB 3.85Å; D718-P740 WeakPolarHBondContact OD2-CA 3.41Å; D718-Y741 PolarHBondContact OD2-N 3.08Å
719N96.7Very high88Confident0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-116.8113.8173.1-60.1-68.7000107.3Y610 T613 I703 L705 W771Y610-N719 HydrophobicContact CD1-CB 4.22Å; T613-N719 PolarHBondContact OG1-ND2 3.43Å; I703-N719 HydrophobicContact CD1-CB 3.98Å; L705-N719 VanDerWaalsContact CD2-OD1 3.24Å; L705-N719 WeakPolarHBondContact CD2-OD1 3.38Å; L705-N719 VanDerWaalsContact CG-OD1 3.23Å; L705-N719 WeakPolarHBondContact CG-OD1 3.5Å; N719-W771 HydrophobicContact CB-CD2 4.29Å; N719-W771 HydrophobicContact CB-CZ2 3.96Å; N719-W771 WeakPolarHBondContact ND2-CH2 3.13Å; N719-W771 WeakPolarHBondContact ND2-CZ2 3.43Å; N719-W771 WeakPolarHBondContact ND2-CZ3 3.49Å; N719-W771 PolarHBondContact O-NE1 2.94Å
720S94.6Very high88.7Confident23 Ų2342.8 Ų42.816%0.16123%0.23CC..  trans-143.9132.1-165.965.10000111.6P704 Y738P704-S720 PolarHBondContact O-N 2.91Å; S720-Y738 WeakPolarHBondContact CA-O 3.42Å
721G95.3Very high89.8Confident21 Ų2144.3 Ų44.322%0.21625%0.247CC..EExtended strand (participates in β ladder)trans143.9-172.2-179.800000113.1Y738G721-Y738 PolarHBondContact N-O 3.27Å; G721-Y738 VanDerWaalsContact N-O 3.08Å; G721-Y738 WeakPolarHBondContact O-CB 3.3Å; G721-Y738 PolarHBondContact O-N 2.96Å
722E95.8Very high91.4Very high56 Ų5642.4 Ų42.426%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-113.8140-176.5-51.8-61.3134.500110.1F467 L470 H735 L736 S737F467-E722 HydrophobicContact CE1-CB 4.31Å; F467-E722 HydrophobicContact CE2-CB 4.06Å; F467-E722 HydrophobicContact CZ-CB 3.94Å; L470-E722 HydrophobicContact CD1-CG 3.9Å; E722-H735 IonicContact OE2-CE1 3.17Å; E722-H735 IonicContact OE2-NE2 2.62Å; E722-H735 PolarHBondContact OE2-NE2 3.35Å; E722-L736 CarbonylContact C-O 3.57Å; E722-L736 WeakPolarHBondContact CA-O 3.3Å; E722-S737 WeakPolarHBondContact OE1-CB 3.46Å; E722-S737 PolarHBondContact OE1-OG 3.42Å; E722-S737 VanDerWaalsContact OE2-CA 3.27Å; E722-S737 WeakPolarHBondContact OE2-CA 3.29Å; E722-S737 WeakPolarHBondContact OE2-CB 3.3Å; E722-S737 PolarHBondContact OE2-OG 2.92Å
723M97.6Very high93Very high3 Ų341.8 Ų41.82%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-131.7124.8178.8179.8-172.9-58.200110.1T606 Y610 W700 I703 I725 L736 Y738T606-M723 HydrophobicContact CG2-SD 4.38Å; Y610-M723 HydrophobicContact CE2-CE 3.96Å; Y610-M723 WeakPolarHBondContact OH-CE 3.45Å; W700-M723 HydrophobicContact CB-CG 4.35Å; W700-M723 HydrophobicContact CB-SD 4.4Å; W700-M723 HydrophobicContact CG-SD 4.35Å; I703-M723 HydrophobicContact CG2-CB 3.93Å; I703-M723 HydrophobicContact CG2-CE 3.99Å; M723-I725 HydrophobicContact CG-CG1 4.49Å; M723-I725 HydrophobicContact SD-CG1 4.43Å; M723-L736 HydrophobicContact CB-CB 4.29Å; M723-L736 PolarHBondContact N-O 3Å; M723-L736 PolarHBondContact O-N 3.4Å; M723-L736 HydrophobicContact SD-CD1 4.2Å; M723-Y738 HydrophobicContact CB-CE2 4.31Å; M723-Y738 HydrophobicContact CE-CE2 4.15Å
724D97.3Very high94.5Very high33 Ų3339 Ų3918%0.17620%0.198CC..EExtended strand (participates in β ladder)trans-97135.6166.9-93.614.4000109.7F467 W700 C734 H735F467-D724 HydrophobicContact CE1-CB 4.34Å; F467-D724 WeakPolarHBondContact CE1-OD1 3.3Å; F467-D724 HydrophobicContact CZ-CB 4.27Å; W700-D724 WeakPolarHBondContact CA-O 3.42Å; W700-D724 WeakPolarHBondContact CB-O 3.28Å; D724-C734 CarbonylContact C-O 3.55Å; D724-C734 WeakPolarHBondContact CA-O 3.37Å; D724-H735 IonicContact OD1-CE1 2.75Å; D724-H735 IonicContact OD1-CG 2.91Å; D724-H735 IonicContact OD1-ND1 3.85Å; D724-H735 PolarHBondContact OD1-ND1 3.18Å
725I98.4Very high95.6Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-115.4125168-45.1176.1000106.8M599 V602 A603 T606 Y698 T699 W700 M723 K733 C734 L736M599-I725 HydrophobicContact CE-CG2 4.47Å; M599-I725 WeakPolarHBondContact CE-O 3.23Å; M599-I725 HydrophobicContact SD-CB 3.95Å; M599-I725 HydrophobicContact SD-CG2 3.75Å; V602-I725 HydrophobicContact CG1-CG2 3.93Å; A603-I725 HydrophobicContact CB-CD1 3.81Å; T606-I725 HydrophobicContact CG2-CD1 3.77Å; T606-I725 HydrophobicContact CG2-CG1 4.46Å; Y698-I725 HydrophobicContact CD1-CG2 4.2Å; T699-I725 WeakPolarHBondContact O-CA 3.36Å; W700-I725 HydrophobicContact CB-CB 4.38Å; W700-I725 HydrophobicContact CB-CG1 4Å; W700-I725 HydrophobicContact CB-CG2 4.4Å; W700-I725 HydrophobicContact CE3-CG2 4.43Å; M723-I725 HydrophobicContact CG-CG1 4.49Å; M723-I725 HydrophobicContact SD-CG1 4.43Å; I725-K733 CarbonylContact O-C 3.54Å; I725-K733 VanDerWaalsContact O-CA 3.27Å; I725-K733 WeakPolarHBondContact O-CA 3.31Å; I725-C734 HydrophobicContact CB-CB 4.17Å; I725-C734 HydrophobicContact CD1-CB 4.3Å; I725-C734 HydrophobicContact CG1-CB 4.43Å; I725-C734 PolarHBondContact N-O 2.88Å; I725-C734 PolarHBondContact O-N 3.22Å; I725-L736 HydrophobicContact CD1-CD1 4.05Å
726I97.9Very high96.2Very high44 Ų4427.9 Ų27.923%0.22615%0.153CC..EExtended strand (participates in β ladder)trans-121127.9-173.3-56.9174.4000109.3Y698 T699 K733Y698-I726 CarbonylContact C-O 3.59Å; Y698-I726 VanDerWaalsContact CA-O 3.26Å; Y698-I726 WeakPolarHBondContact CA-O 3.23Å; T699-I726 PolarHBondContact N-O 2.91Å; T699-I726 PolarHBondContact O-N 2.79Å; I726-K733 HydrophobicContact CG1-CD 4.39Å; I726-K733 HydrophobicContact CG1-CG 4.28Å
727N97.9Very high96.7Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-91.7110.5167.2-179.6-16.6000108.8M599 Y698 N729 T730 G731 E732M599-N727 HydrophobicContact CE-CB 3.86Å; Y698-N727 HydrophobicContact CD1-CB 4.01Å; Y698-N727 HydrophobicContact CE1-CB 3.74Å; Y698-N727 PolarHBondContact OH-ND2 3.31Å; N727-N729 VanDerWaalsContact C-N 3.28Å; N727-N729 PolarHBondContact O-N 2.93Å; N727-N729 PolarHBondContact OD1-N 3.17Å; N727-T730 WeakPolarHBondContact CB-OG1 3.38Å; N727-T730 PolarHBondContact ND2-OG1 3.26Å; N727-T730 PolarHBondContact OD1-N 3.03Å; N727-G731 WeakPolarHBondContact O-CA 3.48Å; N727-G731 PolarHBondContact O-N 3.4Å; N727-E732 HydrophobicContact CB-CB 4.48Å; N727-E732 PolarHBondContact N-O 2.97Å
728H96.5Very high96.9Very high53 Ų5324 Ų2425%0.24514%0.137CC..THydrogen-bonded Turntrans-73.6-17.9-174-65.3-70.6000114H697 T699 F934H697-H728 PolarHBondContact O-CD2 2.82Å; H697-H728 PolarHBondContact O-N 2.89Å; T699-H728 WeakPolarHBondContact CG2-NE2 3.04Å; T699-H728 PolarHBondContact OG1-NE2 3.13Å; H728-F934 HydrophobicContact CB-CD1 3.4Å; H728-F934 VanDerWaalsContact CB-CD1 3.4Å; H728-F934 HydrophobicContact CB-CE1 3.61Å; H728-F934 HydrophobicContact CB-CG 4.02Å; H728-F934 HydrophobicContact CB-CZ 4.37Å; H728-F934 AromaticContact CG-CD1 3.61Å; H728-F934 AromaticContact CG-CG 3.83Å; H728-F934 AromaticContact ND1-CD1 3.99Å
729N96.1Very high96.8Very high86 Ų8626.2 Ų26.246%0.4615%0.147SC..THydrogen-bonded Turntrans-86.4-34.5-178.7-58.867.1000112.1G695 H696 H697 N727G695-N729 PolarHBondContact O-ND2 2.98Å; G695-N729 PolarHBondContact O-OD1 2.83Å; H696-N729 WeakPolarHBondContact CA-OD1 3.06Å; H697-N729 PolarHBondContact N-OD1 3.26Å; N727-N729 VanDerWaalsContact C-N 3.28Å; N727-N729 PolarHBondContact O-N 2.93Å; N727-N729 PolarHBondContact OD1-N 3.17Å
730T95.9Very high96.6Very high37 Ų3730.3 Ų30.323%0.22717%0.173CC..THydrogen-bonded Turntrans-102.6-23.8-176.961.60000113.4N727 E732N727-T730 WeakPolarHBondContact CB-OG1 3.38Å; N727-T730 PolarHBondContact ND2-OG1 3.26Å; N727-T730 PolarHBondContact OD1-N 3.03Å; T730-E732 VanDerWaalsContact C-N 3.31Å; T730-E732 VanDerWaalsContact CB-OE2 3.25Å; T730-E732 WeakPolarHBondContact CB-OE2 3.47Å; T730-E732 WeakPolarHBondContact OG1-CB 2.99Å; T730-E732 VanDerWaalsContact OG1-CG 3.25Å; T730-E732 WeakPolarHBondContact OG1-CG 3.32Å; T730-E732 PolarHBondContact OG1-N 3.27Å; T730-E732 PolarHBondContact OG1-OE2 3.26Å
731G95.6Very high96.2Very high40 Ų4033.7 Ų33.741%0.41218%0.183SC..  trans81.56-172.600000114.3N727N727-G731 WeakPolarHBondContact O-CA 3.48Å; N727-G731 PolarHBondContact O-N 3.4Å
732E97.6Very high95.6Very high14 Ų1435.4 Ų35.47%0.06519%0.192CC..  trans-74.6154178.3-60.3157.3153.200111.5S595 L596 M599 N727 T730S595-E732 WeakPolarHBondContact CB-OE1 3.48Å; S595-E732 WeakPolarHBondContact CB-OE2 3.27Å; S595-E732 VanDerWaalsContact OG-CD 3.31Å; S595-E732 PolarHBondContact OG-OE1 3.17Å; S595-E732 PolarHBondContact OG-OE2 3.46Å; L596-E732 HydrophobicContact CD2-CB 4.27Å; L596-E732 HydrophobicContact CD2-CG 3.79Å; L596-E732 WeakPolarHBondContact CG-OE1 3.47Å; M599-E732 HydrophobicContact CE-CB 4.43Å; M599-E732 WeakPolarHBondContact CE-O 3.38Å; N727-E732 HydrophobicContact CB-CB 4.48Å; N727-E732 PolarHBondContact N-O 2.97Å; T730-E732 VanDerWaalsContact C-N 3.31Å; T730-E732 VanDerWaalsContact CB-OE2 3.25Å; T730-E732 WeakPolarHBondContact CB-OE2 3.47Å; T730-E732 WeakPolarHBondContact OG1-CB 2.99Å; T730-E732 VanDerWaalsContact OG1-CG 3.25Å; T730-E732 WeakPolarHBondContact OG1-CG 3.32Å; T730-E732 PolarHBondContact OG1-N 3.27Å; T730-E732 PolarHBondContact OG1-OE2 3.26Å
733K97.6Very high94.5Very high84 Ų8440.6 Ų40.637%0.36521%0.21SC..EExtended strand (participates in β ladder)trans-135.6146.4-179.3-61.1-169.5176.6-170.20112I725 I726 V756 L757I725-K733 CarbonylContact O-C 3.54Å; I725-K733 VanDerWaalsContact O-CA 3.27Å; I725-K733 WeakPolarHBondContact O-CA 3.31Å; I726-K733 HydrophobicContact CG1-CD 4.39Å; I726-K733 HydrophobicContact CG1-CG 4.28Å; K733-V756 CarbonylContact O-C 3.54Å; K733-V756 WeakPolarHBondContact O-CA 3.49Å; K733-L757 PolarHBondContact N-O 3.32Å; K733-L757 PolarHBondContact O-N 3.27Å
734C98.3Very high93.5Very high0 Ų049.5 Ų49.50%025%0.249CC..EExtended strand (participates in β ladder)trans-113.1134.2159-1710000109.3M599 A603 D724 I725 A755 V756M599-C734 HydrophobicContact CG-CB 3.69Å; M599-C734 HydrophobicContact SD-CB 3.65Å; A603-C734 HydrophobicContact CB-CB 4.48Å; D724-C734 CarbonylContact C-O 3.55Å; D724-C734 WeakPolarHBondContact CA-O 3.37Å; I725-C734 HydrophobicContact CB-CB 4.17Å; I725-C734 HydrophobicContact CD1-CB 4.3Å; I725-C734 HydrophobicContact CG1-CB 4.43Å; I725-C734 PolarHBondContact N-O 2.88Å; I725-C734 PolarHBondContact O-N 3.22Å; C734-A755 CarbonylContact C-O 3.57Å; C734-A755 VanDerWaalsContact CA-O 3.28Å; C734-A755 WeakPolarHBondContact CA-O 3.49Å; C734-A755 PolarHBondContact SG-O 3.44Å; C734-V756 HydrophobicContact CB-CG2 4.37Å
735H98.1Very high92.4Very high1 Ų150.5 Ų50.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-114.8122.9175.3-176.472.3000109T387 F467 E722 D724 G754 A755 L757T387-H735 WeakPolarHBondContact CG2-NE2 3.45Å; T387-H735 PolarHBondContact O-CD2 3.18Å; F467-H735 AromaticContact CE1-CE1 3.61Å; F467-H735 AromaticContact CE1-ND1 3.74Å; E722-H735 IonicContact OE2-CE1 3.17Å; E722-H735 IonicContact OE2-NE2 2.62Å; E722-H735 PolarHBondContact OE2-NE2 3.35Å; D724-H735 IonicContact OD1-CE1 2.75Å; D724-H735 IonicContact OD1-CG 2.91Å; D724-H735 IonicContact OD1-ND1 3.85Å; D724-H735 PolarHBondContact OD1-ND1 3.18Å; H735-G754 CarbonylContact O-C 3.56Å; H735-G754 WeakPolarHBondContact O-CA 3.38Å; H735-A755 PolarHBondContact N-O 3.37Å; H735-A755 PolarHBondContact O-N 3.22Å; H735-L757 HydrophobicContact CB-CD1 4.3Å
736L98.2Very high91.4Very high0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-119.5123.9-177.7-64.3173.4000110.5A603 V607 E722 M723 I725 Y738 V752 L767A603-L736 HydrophobicContact CB-CD1 4.25Å; A603-L736 HydrophobicContact CB-CD2 4.38Å; V607-L736 HydrophobicContact CG2-CD1 3.93Å; E722-L736 CarbonylContact C-O 3.57Å; E722-L736 WeakPolarHBondContact CA-O 3.3Å; M723-L736 HydrophobicContact CB-CB 4.29Å; M723-L736 PolarHBondContact N-O 3Å; M723-L736 PolarHBondContact O-N 3.4Å; M723-L736 HydrophobicContact SD-CD1 4.2Å; I725-L736 HydrophobicContact CD1-CD1 4.05Å; L736-Y738 HydrophobicContact CB-CD2 4.39Å; L736-Y738 HydrophobicContact CB-CE2 3.89Å; L736-Y738 HydrophobicContact CD1-CE2 4.39Å; L736-V752 HydrophobicContact CD2-CG1 4.34Å; L736-L767 HydrophobicContact CD2-CD2 4.48Å
737S97.2Very high90.3Very high1 Ų160.4 Ų60.41%0.00731%0.312CS..EExtended strand (participates in β ladder)trans-109.8113.8176.4-173.20000110.1T387 E722 K739 T753T387-S737 WeakPolarHBondContact OG1-CB 3.27Å; T387-S737 PolarHBondContact OG1-OG 2.91Å; E722-S737 WeakPolarHBondContact OE1-CB 3.46Å; E722-S737 PolarHBondContact OE1-OG 3.42Å; E722-S737 VanDerWaalsContact OE2-CA 3.27Å; E722-S737 WeakPolarHBondContact OE2-CA 3.29Å; E722-S737 WeakPolarHBondContact OE2-CB 3.3Å; E722-S737 PolarHBondContact OE2-OG 2.92Å; S737-K739 PolarHBondContact OG-NZ 3.47Å; S737-T753 PolarHBondContact N-O 3.14Å; S737-T753 PolarHBondContact O-N 2.77Å; S737-T753 PolarHBondContact O-OG1 3.11Å
738Y97.3Very high89.7Confident1 Ų165.5 Ų65.50%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-94.3108.4177.1-66.5-117.7000108V607 Y610 I703 S720 G721 M723 L736 V752 W771V607-Y738 WeakPolarHBondContact CG2-OH 3.43Å; Y610-Y738 HydrophobicContact CD2-CE1 4.01Å; Y610-Y738 HydrophobicContact CE2-CE1 4.3Å; Y610-Y738 HydrophobicContact CG-CE1 4.49Å; I703-Y738 HydrophobicContact CD1-CD1 3.44Å; I703-Y738 VanDerWaalsContact CD1-CD1 3.44Å; I703-Y738 HydrophobicContact CD1-CD2 3.79Å; I703-Y738 HydrophobicContact CD1-CE1 3.82Å; I703-Y738 HydrophobicContact CD1-CE2 4.14Å; I703-Y738 HydrophobicContact CD1-CG 3.44Å; I703-Y738 VanDerWaalsContact CD1-CG 3.44Å; S720-Y738 WeakPolarHBondContact CA-O 3.42Å; G721-Y738 PolarHBondContact N-O 3.27Å; G721-Y738 VanDerWaalsContact N-O 3.08Å; G721-Y738 WeakPolarHBondContact O-CB 3.3Å; G721-Y738 PolarHBondContact O-N 2.96Å; M723-Y738 HydrophobicContact CB-CE2 4.31Å; M723-Y738 HydrophobicContact CE-CE2 4.15Å; L736-Y738 HydrophobicContact CB-CD2 4.39Å; L736-Y738 HydrophobicContact CB-CE2 3.89Å; L736-Y738 HydrophobicContact CD1-CE2 4.39Å; Y738-V752 HydrophobicContact CD1-CG1 4.49Å; Y738-V752 HydrophobicContact CD1-CG2 3.51Å; Y738-V752 HydrophobicContact CD2-CG1 4.24Å; Y738-V752 HydrophobicContact CE1-CG1 4.48Å; Y738-V752 HydrophobicContact CE1-CG2 3.76Å; Y738-V752 HydrophobicContact CE2-CG1 4.23Å; Y738-V752 HydrophobicContact CG-CG1 4.36Å; Y738-V752 HydrophobicContact CG-CG2 3.98Å; Y738-W771 HydrophobicContact CD1-CB 4.49Å; Y738-W771 AromaticContact CD1-CD1 3.74Å; Y738-W771 HydrophobicContact CD1-CG 4.36Å; Y738-W771 HydrophobicContact CE1-CB 4.26Å
739K93.5Very high89.3Confident53 Ų5366 Ų6623%0.2334%0.342CS..PPolyproline II helixtrans-76.3125-171.2-53.7-54.3-175.4-1720110.3T387 S737 R751 T753T387-K739 PolarHBondContact OG1-NZ 2.95Å; S737-K739 PolarHBondContact OG-NZ 3.47Å; K739-R751 HydrophobicContact CB-CB 4.19Å; K739-R751 HydrophobicContact CG-CB 4.17Å; K739-R751 HydrophobicContact CG-CG 4.22Å; K739-R751 PolarHBondContact N-O 3.4Å; K739-T753 VanDerWaalsContact CE-OG1 3.24Å; K739-T753 WeakPolarHBondContact CE-OG1 3.29Å
740P92.1Very high89.2Confident86 Ų8666 Ų6656%0.55834%0.336SS*.PPolyproline II helixtrans-64.7148.2178.527.3-34.4000111.3D718 S742D718-P740 WeakPolarHBondContact OD2-CA 3.41Å; P740-S742 PolarHBondContact O-N 3.18Å
741Y87.1Confident89.2Confident94 Ų9466.5 Ų66.537%0.36933%0.333SS..PPolyproline II helixtrans-62129.5173.9179.4-93.8000111.5W716 D718 Y743 P749W716-Y741 AromaticContact CH2-CD1 3.56Å; W716-Y741 HydrophobicContact CH2-CD1 3.56Å; W716-Y741 HydrophobicContact CH2-CE1 4.29Å; W716-Y741 AromaticContact CH2-CG 3.77Å; W716-Y741 HydrophobicContact CH2-CG 3.77Å; W716-Y741 HydrophobicContact CZ2-CD1 4.24Å; W716-Y741 HydrophobicContact CZ3-CD1 4.4Å; W716-Y741 HydrophobicContact CZ3-CG 4.17Å; D718-Y741 PolarHBondContact OD2-N 3.08Å; Y741-Y743 HydrophobicContact CD1-CD2 4.47Å; Y741-Y743 HydrophobicContact CD1-CE2 4.42Å; Y741-Y743 AromaticContact CE1-CD1 3.84Å; Y741-Y743 HydrophobicContact CE1-CD1 3.84Å; Y741-Y743 AromaticContact CE1-CD2 3.83Å; Y741-Y743 HydrophobicContact CE1-CD2 3.83Å; Y741-Y743 AromaticContact CE1-CE1 3.82Å; Y741-Y743 HydrophobicContact CE1-CE1 3.82Å; Y741-Y743 AromaticContact CE1-CE2 3.81Å; Y741-Y743 HydrophobicContact CE1-CE2 3.81Å; Y741-Y743 AromaticContact CE1-CG 3.85Å; Y741-Y743 HydrophobicContact CE1-CG 3.85Å; Y741-Y743 AromaticContact CE1-CZ 3.81Å; Y741-P749 HydrophobicContact CD2-CB 4.01Å; Y741-P749 HydrophobicContact CE2-CB 4.31Å
742S81.9Confident89.3Confident57 Ų5764.6 Ų64.640%0.39931%0.314SS..  trans-130.6121.9176.7178.40000110.8P740 F744 S745P740-S742 PolarHBondContact O-N 3.18Å; S742-F744 PolarHBondContact O-N 3.16Å; S742-F744 PolarHBondContact OG-N 3.21Å; S742-S745 PolarHBondContact O-N 3.25Å
743Y72.5Confident89.3Confident166 Ų16664 Ų6465%0.65131%0.311SS*.THydrogen-bonded Turntrans-60.4-12.7172.7-73.1-78.8000114.1Y741Y741-Y743 HydrophobicContact CD1-CD2 4.47Å; Y741-Y743 HydrophobicContact CD1-CE2 4.42Å; Y741-Y743 AromaticContact CE1-CD1 3.84Å; Y741-Y743 HydrophobicContact CE1-CD1 3.84Å; Y741-Y743 AromaticContact CE1-CD2 3.83Å; Y741-Y743 HydrophobicContact CE1-CD2 3.83Å; Y741-Y743 AromaticContact CE1-CE1 3.82Å; Y741-Y743 HydrophobicContact CE1-CE1 3.82Å; Y741-Y743 AromaticContact CE1-CE2 3.81Å; Y741-Y743 HydrophobicContact CE1-CE2 3.81Å; Y741-Y743 AromaticContact CE1-CG 3.85Å; Y741-Y743 HydrophobicContact CE1-CG 3.85Å; Y741-Y743 AromaticContact CE1-CZ 3.81Å
744F76Confident89.3Confident190 Ų19060 Ų6083%0.83329%0.294SS*.THydrogen-bonded Turntrans-112.83-176.6-55.4-66.6000113.7S742S742-F744 PolarHBondContact O-N 3.16Å; S742-F744 PolarHBondContact OG-N 3.21Å
745S74.2Confident89.3Confident54 Ų5460 Ų6038%0.37829%0.294SS..  trans-101.6147.5170.7-167.20000111.6S742 D747S742-S745 PolarHBondContact O-N 3.25Å; S745-D747 VanDerWaalsContact C-N 3.31Å; S745-D747 PolarHBondContact OG-N 3.46Å; S745-D747 VanDerWaalsContact OG-N 3.12Å; S745-D747 PolarHBondContact OG-OD2 3.07Å
746N77Confident89.3Confident173 Ų17359.9 Ų59.993%0.92529%0.293SS*.  trans-89.66.6168.6-64.9-19000112.3
747D76.1Confident89.2Confident79 Ų7960.2 Ų60.242%0.42230%0.295SS..SBendtrans-56.8146.8171.9-81.9-70.9000112.1S745 R751S745-D747 VanDerWaalsContact C-N 3.31Å; S745-D747 PolarHBondContact OG-N 3.46Å; S745-D747 VanDerWaalsContact OG-N 3.12Å; S745-D747 PolarHBondContact OG-OD2 3.07Å; D747-R751 IonicContact OD1-CZ 3.23Å; D747-R751 IonicContact OD1-NH1 2.83Å; D747-R751 PolarHBondContact OD1-NH1 3.37Å
748K84.9Confident89.2Confident107 Ų10761.1 Ų61.147%0.46530%0.3SS..PPolyproline II helixtrans-57.1126.7164.9-169.2-177.2174.9-153.40107.4R751 T770 D773K748-R751 WeakPolarHBondContact O-CB 3.43Å; K748-T770 HydrophobicContact CB-CG2 4.41Å; K748-T770 HydrophobicContact CD-CG2 3.45Å; K748-T770 VanDerWaalsContact CD-CG2 3.45Å; K748-T770 HydrophobicContact CG-CG2 3.81Å; K748-T770 PolarHBondContact NZ-OG1 2.74Å; K748-D773 IonicContact NZ-OD2 3.43Å; K748-D773 PolarHBondContact NZ-OD2 2.9Å
749P88.6Confident89Confident64 Ų6469 Ų6942%0.41633%0.334SS..THydrogen-bonded Turntrans-63.4160.8177.528.1-36000110.5Y741 R751 T770Y741-P749 HydrophobicContact CD2-CB 4.01Å; Y741-P749 HydrophobicContact CE2-CB 4.31Å; P749-R751 PolarHBondContact O-N 3.05Å; P749-T770 VanDerWaalsContact O-CG2 3.24Å; P749-T770 WeakPolarHBondContact O-CG2 3.48Å
750R94.4Very high89.1Confident84 Ų8470.4 Ų70.432%0.31735%0.351SS..THydrogen-bonded Turntrans63.422.3179.4-50.7-178.2-170.3112.57.8114.6T770 W771 D772R750-T770 CarbonylContact O-C 3.56Å; R750-T770 WeakPolarHBondContact O-CA 3.46Å; R750-T770 VanDerWaalsContact O-CB 3.25Å; R750-T770 WeakPolarHBondContact O-CB 3.09Å; R750-W771 HydrophobicContact CB-CD2 3.93Å; R750-W771 VanDerWaalsContact CB-CE2 3.48Å; R750-W771 HydrophobicContact CB-CG 4.23Å; R750-W771 HydrophobicContact CB-CZ2 3.83Å; R750-W771 HydrophobicContact CG-CD2 4.37Å; R750-W771 HydrophobicContact CG-CH2 3.94Å; R750-W771 HydrophobicContact CG-CZ2 3.45Å; R750-W771 VanDerWaalsContact CG-CZ2 3.45Å; R750-W771 PolarHBondContact O-N 3.46Å; R750-D772 VanDerWaalsContact CD-CG 3.5Å; R750-D772 VanDerWaalsContact CD-OD2 3.29Å; R750-D772 WeakPolarHBondContact CD-OD2 3.41Å; R750-D772 IonicContact CZ-OD2 2.75Å; R750-D772 IonicContact NE-OD2 2.72Å; R750-D772 IonicContact NH1-OD2 3.13Å; R750-D772 PolarHBondContact NH1-OD2 2.88Å
751R95.7Very high89Confident48 Ų4866.8 Ų66.818%0.18133%0.328CS..EExtended strand (participates in β ladder)trans-64.6132.3-175.9-175174.7-165163.212.5112.7K739 D747 K748 P749 T753 N768K739-R751 HydrophobicContact CB-CB 4.19Å; K739-R751 HydrophobicContact CG-CB 4.17Å; K739-R751 HydrophobicContact CG-CG 4.22Å; K739-R751 PolarHBondContact N-O 3.4Å; D747-R751 IonicContact OD1-CZ 3.23Å; D747-R751 IonicContact OD1-NH1 2.83Å; D747-R751 PolarHBondContact OD1-NH1 3.37Å; K748-R751 WeakPolarHBondContact O-CB 3.43Å; P749-R751 PolarHBondContact O-N 3.05Å; R751-T753 HydrophobicContact CG-CG2 4.19Å; R751-N768 PolarHBondContact NH2-OD1 3Å
752V97.2Very high89.4Confident0 Ų066.8 Ų66.80%034%0.335CS..EExtended strand (participates in β ladder)trans-118.5135.3167.5-171.30000108.9V607 L736 Y738 G769 W771V607-V752 HydrophobicContact CG1-CG2 4.37Å; V607-V752 HydrophobicContact CG2-CG1 4.12Å; L736-V752 HydrophobicContact CD2-CG1 4.34Å; Y738-V752 HydrophobicContact CD1-CG1 4.49Å; Y738-V752 HydrophobicContact CD1-CG2 3.51Å; Y738-V752 HydrophobicContact CD2-CG1 4.24Å; Y738-V752 HydrophobicContact CE1-CG1 4.48Å; Y738-V752 HydrophobicContact CE1-CG2 3.76Å; Y738-V752 HydrophobicContact CE2-CG1 4.23Å; Y738-V752 HydrophobicContact CG-CG1 4.36Å; Y738-V752 HydrophobicContact CG-CG2 3.98Å; V752-G769 PolarHBondContact N-O 2.94Å; V752-G769 PolarHBondContact O-N 3.25Å; V752-W771 HydrophobicContact CG2-CB 3.79Å; V752-W771 HydrophobicContact CG2-CG 4.18Å
753T97.3Very high90.1Very high1 Ų164.7 Ų64.71%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-135.3146.7176.451.60000109.3F384 S737 K739 R751 L767F384-T753 HydrophobicContact CD2-CG2 4.21Å; S737-T753 PolarHBondContact N-O 3.14Å; S737-T753 PolarHBondContact O-N 2.77Å; S737-T753 PolarHBondContact O-OG1 3.11Å; K739-T753 VanDerWaalsContact CE-OG1 3.24Å; K739-T753 WeakPolarHBondContact CE-OG1 3.29Å; R751-T753 HydrophobicContact CG-CG2 4.19Å; T753-L767 CarbonylContact C-O 3.54Å; T753-L767 WeakPolarHBondContact CA-O 3.37Å
754G97.5Very high91.2Very high0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-165.7-178178.100000115.9H735 V766 L767H735-G754 CarbonylContact O-C 3.56Å; H735-G754 WeakPolarHBondContact O-CA 3.38Å; G754-V766 WeakPolarHBondContact O-CA 3.48Å; G754-L767 PolarHBondContact N-O 3.23Å; G754-L767 PolarHBondContact O-N 3.25Å
755A97.8Very high92.3Very high0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-142.5133.7-177.400000110.7I386 L388 C734 H735 L757 V763 Y765I386-A755 HydrophobicContact CD1-CB 4.11Å; L388-A755 HydrophobicContact CD2-CB 3.37Å; C734-A755 CarbonylContact C-O 3.57Å; C734-A755 VanDerWaalsContact CA-O 3.28Å; C734-A755 WeakPolarHBondContact CA-O 3.49Å; C734-A755 PolarHBondContact SG-O 3.44Å; H735-A755 PolarHBondContact N-O 3.37Å; H735-A755 PolarHBondContact O-N 3.22Å; A755-L757 HydrophobicContact CB-CD1 4.13Å; A755-L757 WeakPolarHBondContact O-CD1 3.25Å; A755-V763 HydrophobicContact CB-CG1 3.8Å; A755-V763 HydrophobicContact CB-CG2 4.37Å; A755-Y765 CarbonylContact C-O 3.58Å; A755-Y765 WeakPolarHBondContact CA-O 3.46Å
756V98.2Very high93.4Very high0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-89.5123.1160.1-177.20000108.1L596 M599 A600 K733 C734 R764 Y765 L767L596-V756 HydrophobicContact CB-CG1 4.13Å; L596-V756 HydrophobicContact CD2-CG1 3.78Å; M599-V756 HydrophobicContact CB-CG1 4.12Å; M599-V756 HydrophobicContact CG-CG1 3.85Å; M599-V756 HydrophobicContact CG-CG2 4.14Å; A600-V756 HydrophobicContact CB-CG2 4.25Å; K733-V756 CarbonylContact O-C 3.54Å; K733-V756 WeakPolarHBondContact O-CA 3.49Å; C734-V756 HydrophobicContact CB-CG2 4.37Å; V756-R764 PolarHBondContact O-N 3.47Å; V756-Y765 HydrophobicContact CB-CD2 4.35Å; V756-Y765 PolarHBondContact N-O 2.9Å; V756-Y765 PolarHBondContact O-N 2.87Å; V756-L767 HydrophobicContact CG2-CD1 4.03Å
757L97.6Very high94.4Very high6 Ų644 Ų443%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-109.9134.5177.4-53.292.4000109.3P389 K733 H735 A755 D762 V763P389-L757 HydrophobicContact CG-CD1 4.35Å; P389-L757 HydrophobicContact CG-CD2 3.92Å; K733-L757 PolarHBondContact N-O 3.32Å; K733-L757 PolarHBondContact O-N 3.27Å; H735-L757 HydrophobicContact CB-CD1 4.3Å; A755-L757 HydrophobicContact CB-CD1 4.13Å; A755-L757 WeakPolarHBondContact O-CD1 3.25Å; L757-D762 VanDerWaalsContact CA-O 3.3Å; L757-D762 WeakPolarHBondContact CA-O 3.3Å; L757-V763 HydrophobicContact CD2-CG2 4.38Å; L757-V763 HydrophobicContact CG-CG2 4.33Å
758D96.2Very high95.4Very high21 Ų2142 Ų4211%0.11220%0.204CC..  trans-76.2173.6168.475.647.5000112L596 S760 G761 D762 R764L596-D758 HydrophobicContact CD1-CB 4.29Å; L596-D758 HydrophobicContact CD2-CB 3.77Å; D758-S760 PolarHBondContact O-N 3.18Å; D758-S760 WeakPolarHBondContact OD1-CA 3.33Å; D758-S760 WeakPolarHBondContact OD1-CB 3.25Å; D758-S760 PolarHBondContact OD1-N 3.42Å; D758-S760 PolarHBondContact OD1-OG 2.88Å; D758-G761 PolarHBondContact O-N 2.91Å; D758-D762 PolarHBondContact N-O 3.33Å; D758-R764 HydrophobicContact CB-CG 4Å; D758-R764 WeakPolarHBondContact OD2-CD 3.42Å; D758-R764 IonicContact OD2-CZ 2.63Å; D758-R764 IonicContact OD2-NE 3.09Å; D758-R764 IonicContact OD2-NH1 2.68Å; D758-R764 PolarHBondContact OD2-NH1 3.42Å
759K94.5Very high95.9Very high167 Ų16737.7 Ų37.773%0.72619%0.189SC*.THydrogen-bonded Turntrans-56.6-14.4-178.170.9-174.3-179-1730115.3
760S93.7Very high96.3Very high82 Ų8234.7 Ų34.757%0.57317%0.17SC*.THydrogen-bonded Turntrans-87.4-15.6176.3-28.70000112.1D758D758-S760 PolarHBondContact O-N 3.18Å; D758-S760 WeakPolarHBondContact OD1-CA 3.33Å; D758-S760 WeakPolarHBondContact OD1-CB 3.25Å; D758-S760 PolarHBondContact OD1-N 3.42Å; D758-S760 PolarHBondContact OD1-OG 2.88Å
761G91.6Very high96.5Very high9 Ų930.7 Ų30.79%0.09315%0.154CC..SBendtrans90.35.7-171.100000114.4D758D758-G761 PolarHBondContact O-N 2.91Å
762D94Very high96.5Very high94 Ų9430.1 Ų30.150%0.50316%0.155SC..  trans-78.2133.7176.3-74.9-52.5000111L757 D758 R764L757-D762 VanDerWaalsContact CA-O 3.3Å; L757-D762 WeakPolarHBondContact CA-O 3.3Å; D758-D762 PolarHBondContact N-O 3.33Å; D762-R764 WeakPolarHBondContact O-CG 3.17Å
763V96.4Very high96.5Very high14 Ų1433.1 Ų33.19%0.08517%0.171CC..EExtended strand (participates in β ladder)trans-79123.8-179.8-174.40000109.8L388 A755 L757 V766 V780 L793L388-V763 HydrophobicContact CD1-CG2 4.01Å; L388-V763 HydrophobicContact CD2-CG2 3.64Å; A755-V763 HydrophobicContact CB-CG1 3.8Å; A755-V763 HydrophobicContact CB-CG2 4.37Å; L757-V763 HydrophobicContact CD2-CG2 4.38Å; L757-V763 HydrophobicContact CG-CG2 4.33Å; V763-V766 HydrophobicContact CG1-CG2 4.31Å; V763-V780 HydrophobicContact CB-CG2 4.46Å; V763-V780 HydrophobicContact CG1-CG2 3.95Å; V763-L793 HydrophobicContact CB-CD1 4.08Å; V763-L793 HydrophobicContact CG1-CD1 3.84Å; V763-L793 HydrophobicContact CG2-CD1 4.33Å
764R96.9Very high96.5Very high111 Ų11134.2 Ų34.242%0.41918%0.179SC..EExtended strand (participates in β ladder)trans-111.2-34.5-172.7-53.5-55.4-63.5-77.2-13.6112.9L596 V756 D758 D762 V780L596-R764 HydrophobicContact CD1-CB 4.02Å; L596-R764 HydrophobicContact CD1-CG 3.86Å; L596-R764 HydrophobicContact CD2-CG 4.34Å; V756-R764 PolarHBondContact O-N 3.47Å; D758-R764 HydrophobicContact CB-CG 4Å; D758-R764 WeakPolarHBondContact OD2-CD 3.42Å; D758-R764 IonicContact OD2-CZ 2.63Å; D758-R764 IonicContact OD2-NE 3.09Å; D758-R764 IonicContact OD2-NH1 2.68Å; D758-R764 PolarHBondContact OD2-NH1 3.42Å; D762-R764 WeakPolarHBondContact O-CG 3.17Å; R764-V780 PolarHBondContact O-N 2.88Å
765Y97.8Very high96.6Very high35 Ų3534.2 Ų34.214%0.13718%0.179CC..EExtended strand (participates in β ladder)trans-133146.9170.1-62.6-87.4000110.3L596 E597 A755 V756 Y777 A778 P779L596-Y765 HydrophobicContact CB-CD2 4.08Å; L596-Y765 HydrophobicContact CB-CE2 3.74Å; E597-Y765 HydrophobicContact CB-CE2 4.49Å; A755-Y765 CarbonylContact C-O 3.58Å; A755-Y765 WeakPolarHBondContact CA-O 3.46Å; V756-Y765 HydrophobicContact CB-CD2 4.35Å; V756-Y765 PolarHBondContact N-O 2.9Å; V756-Y765 PolarHBondContact O-N 2.87Å; Y765-Y777 AromaticContact CD1-CD2 3.41Å; Y765-Y777 HydrophobicContact CD1-CD2 3.41Å; Y765-Y777 VanDerWaalsContact CD1-CD2 3.41Å; Y765-Y777 AromaticContact CD1-CE2 3.74Å; Y765-Y777 HydrophobicContact CD1-CE2 3.74Å; Y765-Y777 AromaticContact CE1-CD2 3.81Å; Y765-Y777 HydrophobicContact CE1-CD2 3.81Å; Y765-Y777 AromaticContact CE1-CE2 3.59Å; Y765-Y777 HydrophobicContact CE1-CE2 3.59Å; Y765-Y777 HydrophobicContact CG-CD2 4.06Å; Y765-A778 WeakPolarHBondContact CA-O 3.09Å; Y765-P779 HydrophobicContact CD1-CB 4.01Å; Y765-P779 HydrophobicContact CE1-CB 3.85Å
766V97.8Very high96.6Very high3 Ų337.3 Ų37.32%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-108.6142.3169.1176.60000108.8F384 I386 V475 G754 V763 Y777 A778 V780 L793 T795F384-V766 HydrophobicContact CE2-CG1 3.67Å; F384-V766 HydrophobicContact CZ-CG1 3.63Å; I386-V766 HydrophobicContact CD1-CG1 4.15Å; I386-V766 HydrophobicContact CD1-CG2 3.98Å; I386-V766 HydrophobicContact CG2-CG1 4.01Å; V475-V766 HydrophobicContact CG1-CG1 4.2Å; V475-V766 HydrophobicContact CG1-CG2 4.38Å; V475-V766 HydrophobicContact CG2-CG1 4.04Å; V475-V766 HydrophobicContact CG2-CG2 4.24Å; G754-V766 WeakPolarHBondContact O-CA 3.48Å; V763-V766 HydrophobicContact CG1-CG2 4.31Å; V766-Y777 CarbonylContact O-C 3.59Å; V766-Y777 VanDerWaalsContact O-CA 3.24Å; V766-Y777 WeakPolarHBondContact O-CA 3.36Å; V766-A778 PolarHBondContact N-O 3.46Å; V766-A778 PolarHBondContact O-N 2.87Å; V766-V780 HydrophobicContact CG2-CG2 3.91Å; V766-L793 HydrophobicContact CG2-CD1 3.86Å; V766-T795 HydrophobicContact CB-CG2 4.23Å; V766-T795 HydrophobicContact CG2-CG2 3.96Å
767L98.1Very high96.5Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-114.5144.1173.3-55.393.5000111.3A603 L736 T753 G754 V756 L775 E776 L801A603-L767 HydrophobicContact CB-CD2 3.81Å; L736-L767 HydrophobicContact CD2-CD2 4.48Å; T753-L767 CarbonylContact C-O 3.54Å; T753-L767 WeakPolarHBondContact CA-O 3.37Å; G754-L767 PolarHBondContact N-O 3.23Å; G754-L767 PolarHBondContact O-N 3.25Å; V756-L767 HydrophobicContact CG2-CD1 4.03Å; L767-L775 HydrophobicContact CB-CD1 4.36Å; L767-L775 HydrophobicContact CD2-CD2 3.77Å; L767-L775 HydrophobicContact CD2-CG 4.39Å; L767-E776 VanDerWaalsContact CA-O 3.28Å; L767-E776 WeakPolarHBondContact CA-O 3.23Å; L767-L801 HydrophobicContact CD2-CD1 3.9Å
768N96.8Very high96.5Very high37 Ų3737.3 Ų37.320%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-152.4139.9179.3-175.944.3000109.9F384 R751 E776F384-N768 HydrophobicContact CE1-CB 4.41Å; F384-N768 HydrophobicContact CE2-CB 3.81Å; F384-N768 HydrophobicContact CZ-CB 3.72Å; R751-N768 PolarHBondContact NH2-OD1 3Å; N768-E776 PolarHBondContact N-O 3.42Å; N768-E776 PolarHBondContact O-N 3.06Å
769G96.8Very high96.5Very high15 Ų1538.7 Ų38.716%0.15520%0.203CC..EExtended strand (participates in β ladder)trans169.6-162.9-17900000113.4V752 S774V752-G769 PolarHBondContact N-O 2.94Å; V752-G769 PolarHBondContact O-N 3.25Å; G769-S774 VanDerWaalsContact CA-O 3.31Å; G769-S774 WeakPolarHBondContact CA-O 3.22Å
770T97.2Very high96.6Very high1 Ų132.2 Ų32.21%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-133.3142.416658.30000110.9K748 P749 R750 D772 D773 S774K748-T770 HydrophobicContact CB-CG2 4.41Å; K748-T770 HydrophobicContact CD-CG2 3.45Å; K748-T770 VanDerWaalsContact CD-CG2 3.45Å; K748-T770 HydrophobicContact CG-CG2 3.81Å; K748-T770 PolarHBondContact NZ-OG1 2.74Å; P749-T770 VanDerWaalsContact O-CG2 3.24Å; P749-T770 WeakPolarHBondContact O-CG2 3.48Å; R750-T770 CarbonylContact O-C 3.56Å; R750-T770 WeakPolarHBondContact O-CA 3.46Å; R750-T770 VanDerWaalsContact O-CB 3.25Å; R750-T770 WeakPolarHBondContact O-CB 3.09Å; T770-D772 WeakPolarHBondContact CB-OD1 3.41Å; T770-D772 PolarHBondContact O-N 2.87Å; T770-D772 PolarHBondContact OG1-OD1 2.65Å; T770-D773 PolarHBondContact O-N 2.72Å; T770-D773 WeakPolarHBondContact OG1-CB 3.47Å; T770-S774 PolarHBondContact N-O 2.74Å; T770-S774 PolarHBondContact O-N 2.85Å; T770-S774 VanDerWaalsContact O-O 3.09Å
771W97.4Very high96.7Very high0 Ų033.4 Ų33.40%018%0.181CC..THydrogen-bonded Turntrans-68.3-4.9-170.352.6-108.5000115V607 A611 T613 A614 N719 Y738 R750 V752V607-W771 HydrophobicContact CG1-CB 3.97Å; A611-W771 WeakPolarHBondContact CA-O 3.29Å; A611-W771 WeakPolarHBondContact CB-O 3.26Å; A611-W771 PolarHBondContact N-O 3.14Å; T613-W771 WeakPolarHBondContact OG1-CZ3 3.26Å; A614-W771 HydrophobicContact CB-CH2 4.32Å; A614-W771 HydrophobicContact CB-CZ3 3.75Å; N719-W771 HydrophobicContact CB-CD2 4.29Å; N719-W771 HydrophobicContact CB-CZ2 3.96Å; N719-W771 WeakPolarHBondContact ND2-CH2 3.13Å; N719-W771 WeakPolarHBondContact ND2-CZ2 3.43Å; N719-W771 WeakPolarHBondContact ND2-CZ3 3.49Å; N719-W771 PolarHBondContact O-NE1 2.94Å; Y738-W771 HydrophobicContact CD1-CB 4.49Å; Y738-W771 AromaticContact CD1-CD1 3.74Å; Y738-W771 HydrophobicContact CD1-CG 4.36Å; Y738-W771 HydrophobicContact CE1-CB 4.26Å; R750-W771 HydrophobicContact CB-CD2 3.93Å; R750-W771 VanDerWaalsContact CB-CE2 3.48Å; R750-W771 HydrophobicContact CB-CG 4.23Å; R750-W771 HydrophobicContact CB-CZ2 3.83Å; R750-W771 HydrophobicContact CG-CD2 4.37Å; R750-W771 HydrophobicContact CG-CH2 3.94Å; R750-W771 HydrophobicContact CG-CZ2 3.45Å; R750-W771 VanDerWaalsContact CG-CZ2 3.45Å; R750-W771 PolarHBondContact O-N 3.46Å; V752-W771 HydrophobicContact CG2-CB 3.79Å; V752-W771 HydrophobicContact CG2-CG 4.18Å
772D96Very high96.8Very high36 Ų3634.4 Ų34.419%0.19319%0.187CC..THydrogen-bonded Turntrans-101.8-15.1178.863.2-29.2000115A614 R750 T770 S804A614-D772 HydrophobicContact CB-CB 3.87Å; R750-D772 VanDerWaalsContact CD-CG 3.5Å; R750-D772 VanDerWaalsContact CD-OD2 3.29Å; R750-D772 WeakPolarHBondContact CD-OD2 3.41Å; R750-D772 IonicContact CZ-OD2 2.75Å; R750-D772 IonicContact NE-OD2 2.72Å; R750-D772 IonicContact NH1-OD2 3.13Å; R750-D772 PolarHBondContact NH1-OD2 2.88Å; T770-D772 WeakPolarHBondContact CB-OD1 3.41Å; T770-D772 PolarHBondContact O-N 2.87Å; T770-D772 PolarHBondContact OG1-OD1 2.65Å; D772-S804 VanDerWaalsContact O-CB 3.27Å; D772-S804 WeakPolarHBondContact O-CB 3.49Å; D772-S804 PolarHBondContact O-OG 3.12Å; D772-S804 VanDerWaalsContact O-OG 3.1Å
773D97.1Very high96.6Very high64 Ų6433.3 Ų33.334%0.34218%0.183SC..THydrogen-bonded Turntrans-130.3-65-160.2177.314.8000111.8K748 T770 Q803 S804K748-D773 IonicContact NZ-OD2 3.43Å; K748-D773 PolarHBondContact NZ-OD2 2.9Å; T770-D773 PolarHBondContact O-N 2.72Å; T770-D773 WeakPolarHBondContact OG1-CB 3.47Å; D773-Q803 WeakPolarHBondContact O-CA 3.31Å; D773-S804 WeakPolarHBondContact O-CB 3.23Å; D773-S804 PolarHBondContact O-N 3.36Å
774S97.7Very high96.4Very high23 Ų2339.5 Ų39.516%0.16121%0.205CC..EExtended strand (participates in β ladder)trans-163.6161.7-178.263.20000113.1G769 T770 W802G769-S774 VanDerWaalsContact CA-O 3.31Å; G769-S774 WeakPolarHBondContact CA-O 3.22Å; T770-S774 PolarHBondContact N-O 2.74Å; T770-S774 PolarHBondContact O-N 2.85Å; T770-S774 VanDerWaalsContact O-O 3.09Å; S774-W802 VanDerWaalsContact CA-O 3.31Å; S774-W802 WeakPolarHBondContact CA-O 3.38Å; S774-W802 WeakPolarHBondContact CB-O 3.35Å
775L98.3Very high95.9Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-133127.7171.6-169.273.3000110.5A604 V607 L767 L801 W802A604-L775 HydrophobicContact CB-CD2 4.08Å; V607-L775 HydrophobicContact CB-CD2 4.22Å; V607-L775 HydrophobicContact CG2-CD2 3.92Å; L767-L775 HydrophobicContact CB-CD1 4.36Å; L767-L775 HydrophobicContact CD2-CD2 3.77Å; L767-L775 HydrophobicContact CD2-CG 4.39Å; L775-L801 HydrophobicContact CD2-CD1 4.48Å; L775-L801 PolarHBondContact O-N 3.1Å; L775-W802 HydrophobicContact CB-CE3 4.07Å; L775-W802 PolarHBondContact N-O 2.91Å; L775-W802 PolarHBondContact O-N 3.29Å
776E97.8Very high95Very high65 Ų6541.4 Ų41.430%0.30423%0.226SC..EExtended strand (participates in β ladder)trans-109.5153.5175-63.1-175.3175.400111.4L767 N768 A798 R799 V800L767-E776 VanDerWaalsContact CA-O 3.28Å; L767-E776 WeakPolarHBondContact CA-O 3.23Å; N768-E776 PolarHBondContact N-O 3.42Å; N768-E776 PolarHBondContact O-N 3.06Å; E776-A798 VanDerWaalsContact OE2-CB 3.23Å; E776-A798 WeakPolarHBondContact OE2-CB 3.48Å; E776-R799 CarbonylContact C-O 3.56Å; E776-R799 WeakPolarHBondContact CA-O 3.39Å; E776-R799 WeakPolarHBondContact CB-O 3.41Å; E776-V800 HydrophobicContact CG-CG2 4.1Å
777Y97.3Very high94.2Very high6 Ų653.2 Ų53.22%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-122.8154.2166.279.5-48.6000111.9E597 A600 Y765 V766 A798 R799 L801E597-Y777 HydrophobicContact CG-CE2 4.09Å; E597-Y777 PolarHBondContact OE1-OH 2.9Å; A600-Y777 HydrophobicContact CB-CD2 3.94Å; A600-Y777 HydrophobicContact CB-CE2 4.48Å; A600-Y777 HydrophobicContact CB-CG 4.47Å; Y765-Y777 AromaticContact CD1-CD2 3.41Å; Y765-Y777 HydrophobicContact CD1-CD2 3.41Å; Y765-Y777 VanDerWaalsContact CD1-CD2 3.41Å; Y765-Y777 AromaticContact CD1-CE2 3.74Å; Y765-Y777 HydrophobicContact CD1-CE2 3.74Å; Y765-Y777 AromaticContact CE1-CD2 3.81Å; Y765-Y777 HydrophobicContact CE1-CD2 3.81Å; Y765-Y777 AromaticContact CE1-CE2 3.59Å; Y765-Y777 HydrophobicContact CE1-CE2 3.59Å; Y765-Y777 HydrophobicContact CG-CD2 4.06Å; V766-Y777 CarbonylContact O-C 3.59Å; V766-Y777 VanDerWaalsContact O-CA 3.24Å; V766-Y777 WeakPolarHBondContact O-CA 3.36Å; Y777-A798 WeakPolarHBondContact O-CA 3.36Å; Y777-R799 HydrophobicContact CD1-CB 3.78Å; Y777-R799 WeakPolarHBondContact CD1-O 3.26Å; Y777-R799 HydrophobicContact CE1-CB 3.41Å; Y777-R799 VanDerWaalsContact CE1-CB 3.41Å; Y777-R799 HydrophobicContact CE1-CG 4.22Å; Y777-R799 PolarHBondContact N-O 2.94Å; Y777-R799 PolarHBondContact O-N 2.98Å; Y777-R799 WeakPolarHBondContact OH-CD 3.47Å; Y777-R799 PolarHBondContact OH-NH1 3.47Å; Y777-L801 HydrophobicContact CD1-CD1 4.07Å; Y777-L801 HydrophobicContact CD1-CD2 3.45Å; Y777-L801 VanDerWaalsContact CD1-CD2 3.45Å; Y777-L801 HydrophobicContact CD1-CG 3.49Å; Y777-L801 VanDerWaalsContact CD1-CG 3.49Å; Y777-L801 HydrophobicContact CD2-CD2 4.41Å; Y777-L801 HydrophobicContact CE1-CD2 3.56Å; Y777-L801 HydrophobicContact CE1-CG 4.09Å; Y777-L801 HydrophobicContact CG-CD1 3.99Å; Y777-L801 HydrophobicContact CG-CD2 3.93Å; Y777-L801 HydrophobicContact CG-CG 3.93Å
778A97.3Very high93.1Very high1 Ų160.1 Ų60.11%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-140.7138.8170.300000110.7Y765 V766 T795Y765-A778 WeakPolarHBondContact CA-O 3.09Å; V766-A778 PolarHBondContact N-O 3.46Å; V766-A778 PolarHBondContact O-N 2.87Å; A778-T795 HydrophobicContact CB-CG2 4.33Å
779P97.1Very high92.3Very high50 Ų5060.7 Ų60.733%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-69.8142.417629.6-34.2000110.6Y765 T795 G796Y765-P779 HydrophobicContact CD1-CB 4.01Å; Y765-P779 HydrophobicContact CE1-CB 3.85Å; P779-T795 CarbonylContact O-C 3.56Å; P779-T795 WeakPolarHBondContact O-CA 3.48Å; P779-T795 WeakPolarHBondContact O-CB 3.45Å; P779-G796 PolarHBondContact O-N 2.95Å
780V96.4Very high91.7Very high30 Ų3064.9 Ų64.918%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-76.5125.3170.8179.50000109.1V763 R764 V766 L793 T795V763-V780 HydrophobicContact CB-CG2 4.46Å; V763-V780 HydrophobicContact CG1-CG2 3.95Å; R764-V780 PolarHBondContact O-N 2.88Å; V766-V780 HydrophobicContact CG2-CG2 3.91Å; V780-L793 HydrophobicContact CG1-CB 4.47Å; V780-L793 HydrophobicContact CG1-CD2 4.36Å; V780-L793 HydrophobicContact CG2-CD1 4.39Å; V780-T795 HydrophobicContact CG2-CG2 4.39Å
781V95.3Very high91.4Very high107 Ų10765.5 Ų65.565%0.64834%0.339SS*.EExtended strand (participates in β ladder)trans-100.2-35.9179.8175.10000110.9E794V781-E794 PolarHBondContact N-O 3.38Å
782S92.5Very high91.1Very high31 Ų3166.4 Ų66.422%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-146.4144.4171.1112.10000112.4R784 E794S782-R784 PolarHBondContact OG-NE 2.97Å; S782-E794 WeakPolarHBondContact CB-OE2 3.21Å; S782-E794 PolarHBondContact N-O 3.11Å; S782-E794 VanDerWaalsContact N-O 3.14Å; S782-E794 PolarHBondContact O-N 3.49Å; S782-E794 PolarHBondContact OG-OE2 3.43Å
783T91.4Very high91Very high70 Ų7064.8 Ų64.843%0.42934%0.336SS..EExtended strand (participates in β ladder)trans-115.5115.2173.7-63.60000108.2L793T783-L793 HydrophobicContact CG2-CD2 3.79Å; T783-L793 WeakPolarHBondContact OG1-CD2 3.35Å
784R90.7Very high90.9Very high145 Ų14564 Ų6455%0.54733%0.331SS..EExtended strand (participates in β ladder)trans-115.5166.7177.4-51.4-172.8-168.7-170.412.2109.6S782 P791 V792 E794S782-R784 PolarHBondContact OG-NE 2.97Å; R784-P791 CarbonylContact O-C 3.54Å; R784-P791 WeakPolarHBondContact O-CA 3.36Å; R784-V792 PolarHBondContact N-O 3.22Å; R784-V792 PolarHBondContact O-N 3.4Å; R784-E794 VanDerWaalsContact CZ-CD 3.48Å; R784-E794 IonicContact CZ-OE1 2.95Å; R784-E794 IonicContact CZ-OE2 3.22Å; R784-E794 VanDerWaalsContact CZ-OE2 3.22Å; R784-E794 VanDerWaalsContact NE-CD 3.33Å; R784-E794 IonicContact NE-OE1 2.76Å; R784-E794 PolarHBondContact NE-OE1 3.19Å; R784-E794 IonicContact NE-OE2 3.95Å; R784-E794 PolarHBondContact NE-OE2 3.32Å; R784-E794 VanDerWaalsContact NE-OE2 3.08Å; R784-E794 IonicContact NH1-OE1 3.62Å; R784-E794 IonicContact NH2-OE1 2.96Å; R784-E794 PolarHBondContact NH2-OE1 2.86Å; R784-E794 IonicContact NH2-OE2 2.71Å; R784-E794 PolarHBondContact NH2-OE2 3.2Å
785H86.4Confident90.8Very high132 Ų13263.4 Ų63.461%0.61133%0.326SS*.EExtended strand (participates in β ladder)trans-116.3131.3173.6-68.883.5000109.7
786S80.7Confident90.5Very high54 Ų5463.8 Ų63.838%0.37833%0.33SS..  trans-66.6161.8171.1-178.50000110.7N788 G789 K790S786-N788 PolarHBondContact O-N 2.94Å; S786-G789 PolarHBondContact O-N 3.33Å; S786-K790 WeakPolarHBondContact CB-O 3.26Å; S786-K790 PolarHBondContact N-O 3.07Å
787R79.5Confident90.3Very high251 Ų25165.3 Ų65.395%0.94735%0.345SS*.THydrogen-bonded Turntrans-53-26173.6-66-175.5-178.9-179.71.6112.9
788N76.1Confident90.2Very high145 Ų14565.9 Ų65.978%0.77535%0.352SS*.THydrogen-bonded Turntrans-94.816-179.8-57.510.2000112.8S786 K790S786-N788 PolarHBondContact O-N 2.94Å; N788-K790 PolarHBondContact O-N 3.22Å
789G80.3Confident90.1Very high49 Ų4973 Ų7351%0.50538%0.378SS..SBendtrans75-15179.200000116.1S786S786-G789 PolarHBondContact O-N 3.33Å
790K84.3Confident90.1Very high103 Ų10374.3 Ų74.345%0.44839%0.385SS..  trans-59.9132.3174.3-71.2-166.9177.8-177.30111.1E472 S786 N788E472-K790 IonicContact OE2-NZ 3.35Å; E472-K790 PolarHBondContact OE2-NZ 2.71Å; S786-K790 WeakPolarHBondContact CB-O 3.26Å; S786-K790 PolarHBondContact N-O 3.07Å; N788-K790 PolarHBondContact O-N 3.22Å
791P89Confident90.2Very high13 Ų1373.7 Ų73.78%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-62.5147.5172.1-20.832.7000112.1A473 R474 R784A473-P791 WeakPolarHBondContact CA-O 3.13Å; A473-P791 HydrophobicContact CB-CB 3.91Å; A473-P791 HydrophobicContact CB-CG 4.33Å; R474-P791 PolarHBondContact N-O 3.42Å; R784-P791 CarbonylContact O-C 3.54Å; R784-P791 WeakPolarHBondContact O-CA 3.36Å
792V92.2Very high90.3Very high19 Ų1969 Ų6912%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-126.8116171.9-175.40000107.2R474 I476 R784R474-V792 HydrophobicContact CB-CG2 4.48Å; R474-V792 CarbonylContact O-C 3.55Å; R474-V792 VanDerWaalsContact O-CA 3.31Å; R474-V792 WeakPolarHBondContact O-CA 3.43Å; I476-V792 HydrophobicContact CD1-CG1 3.67Å; I476-V792 HydrophobicContact CG1-CG1 4.1Å; R784-V792 PolarHBondContact N-O 3.22Å; R784-V792 PolarHBondContact O-N 3.4Å
793L93.9Very high90.6Very high2 Ų273.5 Ų73.51%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-102.5119.6-177.7-52.9-179.5000109.4I386 R474 V475 I476 V763 V766 V780 T783I386-L793 HydrophobicContact CD1-CD1 3.77Å; R474-L793 PolarHBondContact O-N 3.24Å; V475-L793 CarbonylContact C-O 3.54Å; V475-L793 WeakPolarHBondContact CA-O 3.35Å; V475-L793 HydrophobicContact CG2-CB 4.39Å; V475-L793 HydrophobicContact CG2-CD1 4.42Å; I476-L793 PolarHBondContact N-O 2.66Å; V763-L793 HydrophobicContact CB-CD1 4.08Å; V763-L793 HydrophobicContact CG1-CD1 3.84Å; V763-L793 HydrophobicContact CG2-CD1 4.33Å; V766-L793 HydrophobicContact CG2-CD1 3.86Å; V780-L793 HydrophobicContact CG1-CB 4.47Å; V780-L793 HydrophobicContact CG1-CD2 4.36Å; V780-L793 HydrophobicContact CG2-CD1 4.39Å; T783-L793 HydrophobicContact CG2-CD2 3.79Å; T783-L793 WeakPolarHBondContact OG1-CD2 3.35Å
794E94Very high90.9Very high48 Ų4871.9 Ų71.922%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-94.5123.7170.3-68.4168.8171.100108.2I476 V781 S782 R784I476-E794 WeakPolarHBondContact O-CA 3.48Å; V781-E794 PolarHBondContact N-O 3.38Å; S782-E794 WeakPolarHBondContact CB-OE2 3.21Å; S782-E794 PolarHBondContact N-O 3.11Å; S782-E794 VanDerWaalsContact N-O 3.14Å; S782-E794 PolarHBondContact O-N 3.49Å; S782-E794 PolarHBondContact OG-OE2 3.43Å; R784-E794 VanDerWaalsContact CZ-CD 3.48Å; R784-E794 IonicContact CZ-OE1 2.95Å; R784-E794 IonicContact CZ-OE2 3.22Å; R784-E794 VanDerWaalsContact CZ-OE2 3.22Å; R784-E794 VanDerWaalsContact NE-CD 3.33Å; R784-E794 IonicContact NE-OE1 2.76Å; R784-E794 PolarHBondContact NE-OE1 3.19Å; R784-E794 IonicContact NE-OE2 3.95Å; R784-E794 PolarHBondContact NE-OE2 3.32Å; R784-E794 VanDerWaalsContact NE-OE2 3.08Å; R784-E794 IonicContact NH1-OE1 3.62Å; R784-E794 IonicContact NH2-OE1 2.96Å; R784-E794 PolarHBondContact NH2-OE1 2.86Å; R784-E794 IonicContact NH2-OE2 2.71Å; R784-E794 PolarHBondContact NH2-OE2 3.2Å
795T95.3Very high91.1Very high11 Ų1168.4 Ų68.47%0.06735%0.353CS..EExtended strand (participates in β ladder)trans-107.5162.6-175.961.80000113.3V475 I476 Q477 P478 V766 A778 P779 V780V475-T795 HydrophobicContact CG1-CG2 3.84Å; I476-T795 PolarHBondContact O-N 2.76Å; Q477-T795 WeakPolarHBondContact CA-OG1 3.25Å; Q477-T795 WeakPolarHBondContact CB-OG1 3.28Å; Q477-T795 WeakPolarHBondContact CG-OG1 3.32Å; P478-T795 WeakPolarHBondContact CD-O 3.43Å; V766-T795 HydrophobicContact CB-CG2 4.23Å; V766-T795 HydrophobicContact CG2-CG2 3.96Å; A778-T795 HydrophobicContact CB-CG2 4.33Å; P779-T795 CarbonylContact O-C 3.56Å; P779-T795 WeakPolarHBondContact O-CA 3.48Å; P779-T795 WeakPolarHBondContact O-CB 3.45Å; V780-T795 HydrophobicContact CG2-CG2 4.39Å
796G93.9Very high91.5Very high8 Ų867.9 Ų67.98%0.08236%0.361CS..  trans-77-172.7166.800000112.5P779P779-G796 PolarHBondContact O-N 2.95Å
797P92.9Very high92.3Very high96 Ų9669 Ų6962%0.62336%0.362SS*.  trans-61144.6175.927.2-35.1000111.6
798A94.8Very high93Very high19 Ų1958.2 Ų58.216%0.15733%0.325CS..  trans-69.1155.3175.400000112.7E776 Y777E776-A798 VanDerWaalsContact OE2-CB 3.23Å; E776-A798 WeakPolarHBondContact OE2-CB 3.48Å; Y777-A798 WeakPolarHBondContact O-CA 3.36Å
799R95.3Very high93.8Very high150 Ų15057 Ų5757%0.56633%0.325SS*.EExtended strand (participates in β ladder)trans-139.5141.3169.1-70.6176176.5179.9-1.9109.3E597 E776 Y777E597-R799 IonicContact OE1-NH1 3.08Å; E776-R799 CarbonylContact C-O 3.56Å; E776-R799 WeakPolarHBondContact CA-O 3.39Å; E776-R799 WeakPolarHBondContact CB-O 3.41Å; Y777-R799 HydrophobicContact CD1-CB 3.78Å; Y777-R799 WeakPolarHBondContact CD1-O 3.26Å; Y777-R799 HydrophobicContact CE1-CB 3.41Å; Y777-R799 VanDerWaalsContact CE1-CB 3.41Å; Y777-R799 HydrophobicContact CE1-CG 4.22Å; Y777-R799 PolarHBondContact N-O 2.94Å; Y777-R799 PolarHBondContact O-N 2.98Å; Y777-R799 WeakPolarHBondContact OH-CD 3.47Å; Y777-R799 PolarHBondContact OH-NH1 3.47Å
800V97.2Very high94.3Very high78 Ų7859.1 Ų59.147%0.47333%0.325SS..EExtended strand (participates in β ladder)trans-74.4128.5173-177.40000109.4E776 W802 Q803E776-V800 HydrophobicContact CG-CG2 4.1Å; V800-W802 WeakPolarHBondContact CG1-O 3.44Å; V800-Q803 HydrophobicContact CG1-CB 4.43Å
801L97.7Very high94.8Very high16 Ų1654.5 Ų54.58%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-92.5-39.3169.1-68.8169.1000111.5A600 Y601 A604 L767 L775 Y777A600-L801 HydrophobicContact CB-CD1 4.13Å; A600-L801 HydrophobicContact CB-CD2 4.4Å; A600-L801 WeakPolarHBondContact O-CD1 3.46Å; Y601-L801 HydrophobicContact CD1-CD2 3.77Å; Y601-L801 HydrophobicContact CD2-CD2 4.08Å; Y601-L801 HydrophobicContact CE1-CD2 3.69Å; Y601-L801 HydrophobicContact CE2-CD2 4.01Å; Y601-L801 HydrophobicContact CG-CD2 3.96Å; A604-L801 HydrophobicContact CB-CB 3.59Å; A604-L801 HydrophobicContact CB-CD1 4.09Å; A604-L801 HydrophobicContact CB-CG 4.44Å; L767-L801 HydrophobicContact CD2-CD1 3.9Å; L775-L801 HydrophobicContact CD2-CD1 4.48Å; L775-L801 PolarHBondContact O-N 3.1Å; Y777-L801 HydrophobicContact CD1-CD1 4.07Å; Y777-L801 HydrophobicContact CD1-CD2 3.45Å; Y777-L801 VanDerWaalsContact CD1-CD2 3.45Å; Y777-L801 HydrophobicContact CD1-CG 3.49Å; Y777-L801 VanDerWaalsContact CD1-CG 3.49Å; Y777-L801 HydrophobicContact CD2-CD2 4.41Å; Y777-L801 HydrophobicContact CE1-CD2 3.56Å; Y777-L801 HydrophobicContact CE1-CG 4.09Å; Y777-L801 HydrophobicContact CG-CD1 3.99Å; Y777-L801 HydrophobicContact CG-CD2 3.93Å; Y777-L801 HydrophobicContact CG-CG 3.93Å
802W98.4Very high94.9Very high8 Ų860.4 Ų60.43%0.0333%0.332CS..EExtended strand (participates in β ladder)trans-147.6145.1-175.5165.276.1000110.8Y582 A604 V607 A611 S774 L775 V800Y582-W802 AromaticContact CD1-CD1 3.46Å; Y582-W802 VanDerWaalsContact CD1-CD1 3.46Å; Y582-W802 AromaticContact CD1-NE1 3.05Å; Y582-W802 AromaticContact CD2-NE1 3.56Å; Y582-W802 AromaticContact CE1-NE1 3.24Å; Y582-W802 HydrophobicContact CE2-CZ2 4.37Å; Y582-W802 AromaticContact CE2-NE1 3.75Å; Y582-W802 AromaticContact CG-CD1 3.62Å; Y582-W802 AromaticContact CG-NE1 3.21Å; Y582-W802 AromaticContact CZ-NE1 3.6Å; A604-W802 HydrophobicContact CB-CB 3.95Å; V607-W802 HydrophobicContact CG1-CZ3 4.32Å; A611-W802 HydrophobicContact CB-CH2 3.79Å; A611-W802 HydrophobicContact CB-CZ2 3.71Å; S774-W802 VanDerWaalsContact CA-O 3.31Å; S774-W802 WeakPolarHBondContact CA-O 3.38Å; S774-W802 WeakPolarHBondContact CB-O 3.35Å; L775-W802 HydrophobicContact CB-CE3 4.07Å; L775-W802 PolarHBondContact N-O 2.91Å; L775-W802 PolarHBondContact O-N 3.29Å; V800-W802 WeakPolarHBondContact CG1-O 3.44Å
803Q98Very high94.8Very high126 Ų12665.5 Ų65.559%0.58935%0.35SS*.EExtended strand (participates in β ladder)trans-138.1142.5168.6-173.6169.824.800109.6Y582 D773 V800Y582-Q803 WeakPolarHBondContact CE1-O 3.48Å; D773-Q803 WeakPolarHBondContact O-CA 3.31Å; V800-Q803 HydrophobicContact CG1-CB 4.43Å
804S97.4Very high94.9Very high36 Ų3666.1 Ų66.125%0.25235%0.352SS..PPolyproline II helixtrans-68.7137-179.1-162.20000111.9D772 D773D772-S804 VanDerWaalsContact O-CB 3.27Å; D772-S804 WeakPolarHBondContact O-CB 3.49Å; D772-S804 PolarHBondContact O-OG 3.12Å; D772-S804 VanDerWaalsContact O-OG 3.1Å; D773-S804 WeakPolarHBondContact O-CB 3.23Å; D773-S804 PolarHBondContact O-N 3.36Å
805N96.2Very high94.9Very high72 Ų7264.2 Ų64.239%0.38534%0.343SS..PPolyproline II helixtrans-67.9136.8176.3-71.6-41.6000110.6E581 Y582 L807E581-N805 PolarHBondContact OE1-ND2 2.81Å; Y582-N805 HydrophobicContact CE1-CB 4.36Å; Y582-N805 VanDerWaalsContact CE1-ND2 3.3Å; Y582-N805 WeakPolarHBondContact CE1-ND2 3.18Å; Y582-N805 PolarHBondContact OH-N 3.29Å; Y582-N805 PolarHBondContact OH-ND2 3.32Å; N805-L807 PolarHBondContact O-N 3.43Å
806P95.5Very high94.9Very high122 Ų12264.5 Ų64.579%0.79235%0.346SS*.PPolyproline II helixtrans-63.3135.4171.627.3-33.8000110.4
807L95.7Very high95.1Very high76 Ų7664.2 Ų64.240%0.39834%0.342SS..PPolyproline II helixtrans-63.9148.3176.9-69.4176.8000111.4V615 N805 A811 T818V615-L807 HydrophobicContact CG2-CD1 4.35Å; N805-L807 PolarHBondContact O-N 3.43Å; L807-A811 HydrophobicContact CB-CB 3.96Å; L807-A811 HydrophobicContact CD1-CB 4.4Å; L807-T818 HydrophobicContact CD2-CG2 4.06Å
808P95.1Very high95.3Very high26 Ų2660 Ų6017%0.16931%0.314CS..PPolyproline II helixtrans-56.5154.3172.1-24.634.4000113A811 F817 L822P808-A811 WeakPolarHBondContact O-CB 3.45Å; P808-A811 PolarHBondContact O-N 2.97Å; P808-F817 WeakPolarHBondContact CD-O 3.45Å; P808-L822 HydrophobicContact CB-CD1 4.31Å; P808-L822 HydrophobicContact CG-CD1 3.78Å
809P93.1Very high95.4Very high118 Ų11866.7 Ų66.777%0.76634%0.336SS*.THydrogen-bonded Turntrans-52145.4166.1-24.834.8000111.5A811 M814P809-A811 PolarHBondContact O-N 2.83Å; P809-A811 VanDerWaalsContact O-N 3.11Å; P809-M814 VanDerWaalsContact O-CE 3.23Å; P809-M814 WeakPolarHBondContact O-CE 3.19Å
810D91.2Very high95.5Very high95 Ų9559.7 Ų59.751%0.50831%0.31SS..THydrogen-bonded Turntrans5716.5-176.9-81.921.3000115.9E812 R813 M814D810-E812 PolarHBondContact O-N 2.99Å; D810-R813 WeakPolarHBondContact O-CA 3.42Å; D810-R813 WeakPolarHBondContact O-CB 3.48Å; D810-R813 PolarHBondContact O-N 3.23Å; D810-R813 WeakPolarHBondContact OD2-CD 3.34Å; D810-R813 IonicContact OD2-CZ 3.61Å; D810-R813 IonicContact OD2-NE 3.55Å; D810-R813 IonicContact OD2-NH1 2.67Å; D810-R813 PolarHBondContact OD2-NH1 2.91Å; D810-M814 PolarHBondContact O-N 2.61Å
811A93.7Very high95.5Very high6 Ų656 Ų565%0.0529%0.287CS..G310 helixtrans-52.7-33.7-176.800000114.5L807 P808 P809 R813 M814 Y815 C816L807-A811 HydrophobicContact CB-CB 3.96Å; L807-A811 HydrophobicContact CD1-CB 4.4Å; P808-A811 WeakPolarHBondContact O-CB 3.45Å; P808-A811 PolarHBondContact O-N 2.97Å; P809-A811 PolarHBondContact O-N 2.83Å; P809-A811 VanDerWaalsContact O-N 3.11Å; A811-R813 PolarHBondContact O-N 3.32Å; A811-M814 CarbonylContact O-C 3.51Å; A811-M814 WeakPolarHBondContact O-CA 3.1Å; A811-M814 PolarHBondContact O-N 3.29Å; A811-Y815 PolarHBondContact O-N 2.68Å; A811-C816 VanDerWaalsContact O-CA 3.31Å; A811-C816 WeakPolarHBondContact O-CA 3.41Å; A811-C816 PolarHBondContact O-N 3.48Å
812E90.6Very high95.5Very high136 Ų13655.3 Ų55.364%0.63628%0.283SS*.G310 helixtrans-58.2-30.2174.9-62.3-161137.200113.4K538 D810 M814K538-E812 WeakPolarHBondContact CE-O 3.37Å; D810-E812 PolarHBondContact O-N 2.99Å; E812-M814 VanDerWaalsContact C-N 3.34Å
813R92.1Very high95.5Very high127 Ų12755.3 Ų55.348%0.47928%0.284SS..G310 helixtrans-79.9-19.1174.7-56.3173.967.3-153.10.8111.9P537 K538 D810 A811P537-R813 HydrophobicContact CB-CB 4.14Å; K538-R813 WeakPolarHBondContact CG-O 3.49Å; K538-R813 PolarHBondContact N-O 3.22Å; D810-R813 WeakPolarHBondContact O-CA 3.42Å; D810-R813 WeakPolarHBondContact O-CB 3.48Å; D810-R813 PolarHBondContact O-N 3.23Å; D810-R813 WeakPolarHBondContact OD2-CD 3.34Å; D810-R813 IonicContact OD2-CZ 3.61Å; D810-R813 IonicContact OD2-NE 3.55Å; D810-R813 IonicContact OD2-NH1 2.67Å; D810-R813 PolarHBondContact OD2-NH1 2.91Å; A811-R813 PolarHBondContact O-N 3.32Å
814M95Very high95.5Very high14 Ų1449.3 Ų49.37%0.06926%0.256CS..G310 helixtrans-110.844.3178.4-60.6-177.4-70.700111.3I535 P809 D810 A811 E812 C816 F817 L822I535-M814 HydrophobicContact CD1-CB 4.24Å; I535-M814 HydrophobicContact CG1-CB 3.88Å; I535-M814 HydrophobicContact CG1-CG 3.83Å; I535-M814 HydrophobicContact CG1-SD 4.16Å; I535-M814 PolarHBondContact N-SD 3.43Å; P809-M814 VanDerWaalsContact O-CE 3.23Å; P809-M814 WeakPolarHBondContact O-CE 3.19Å; D810-M814 PolarHBondContact O-N 2.61Å; A811-M814 CarbonylContact O-C 3.51Å; A811-M814 WeakPolarHBondContact O-CA 3.1Å; A811-M814 PolarHBondContact O-N 3.29Å; E812-M814 VanDerWaalsContact C-N 3.34Å; M814-C816 PolarHBondContact O-N 3.02Å; M814-C816 VanDerWaalsContact O-N 3.1Å; M814-F817 WeakPolarHBondContact O-CB 3.29Å; M814-F817 WeakPolarHBondContact O-CG 3.48Å; M814-F817 PolarHBondContact O-N 3.05Å; M814-F817 VanDerWaalsContact O-N 3.07Å; M814-L822 HydrophobicContact CB-CD2 4.16Å; M814-L822 HydrophobicContact SD-CD2 4.02Å
815Y94Very high95.6Very high9 Ų947.7 Ų47.74%0.03524%0.244CC..THydrogen-bonded Turntrans55.826.2175.9-51.4-93000115.2I535 K538 E568 P569 R616 A811 F817 M845 W850I535-Y815 HydrophobicContact CD1-CD2 4.03Å; I535-Y815 HydrophobicContact CD1-CE2 4.3Å; K538-Y815 HydrophobicContact CB-CD1 4.41Å; K538-Y815 HydrophobicContact CB-CD2 4.38Å; K538-Y815 HydrophobicContact CB-CE1 3.79Å; K538-Y815 HydrophobicContact CB-CE2 3.75Å; K538-Y815 VanDerWaalsContact CB-CZ 3.43Å; K538-Y815 HydrophobicContact CD-CD1 3.89Å; K538-Y815 HydrophobicContact CD-CE1 3.97Å; K538-Y815 HydrophobicContact CD-CG 4.27Å; E568-Y815 HydrophobicContact CB-CD1 4.33Å; P569-Y815 HydrophobicContact CG-CD2 3.89Å; P569-Y815 HydrophobicContact CG-CE2 3.65Å; R616-Y815 WeakPolarHBondContact CD-O 3.48Å; R616-Y815 VanDerWaalsContact CG-O 3.22Å; R616-Y815 WeakPolarHBondContact CG-O 3.42Å; A811-Y815 PolarHBondContact O-N 2.68Å; Y815-F817 HydrophobicContact CG-CE1 4.42Å; Y815-F817 WeakPolarHBondContact O-CD1 3.33Å; Y815-F817 PolarHBondContact O-N 3.49Å; Y815-M845 HydrophobicContact CE1-CE 3.67Å; Y815-W850 HydrophobicContact CE1-CZ2 4.3Å; Y815-W850 PolarHBondContact OH-NE1 3.02Å
816C95.3Very high95.6Very high17 Ų1746.1 Ų46.112%0.11523%0.234CC..THydrogen-bonded Turntrans55.931.9-174-58.30000113.6V615 R616 A811 M814V615-C816 HydrophobicContact CB-CB 3.96Å; V615-C816 HydrophobicContact CG2-CB 3.78Å; R616-C816 WeakPolarHBondContact CD-O 3.32Å; R616-C816 HydrophobicContact CG-CB 3.93Å; A811-C816 VanDerWaalsContact O-CA 3.31Å; A811-C816 WeakPolarHBondContact O-CA 3.41Å; A811-C816 PolarHBondContact O-N 3.48Å; M814-C816 PolarHBondContact O-N 3.02Å; M814-C816 VanDerWaalsContact O-N 3.1Å
817F97.8Very high95.6Very high1 Ų144.5 Ų44.50%0.00422%0.224CC..  trans-69.9138.6178.9-74.53.6000112.2I535 E568 P569 L570 P808 M814 Y815 A821 L822I535-F817 HydrophobicContact CD1-CD2 3.95Å; I535-F817 HydrophobicContact CD1-CE2 4.02Å; E568-F817 HydrophobicContact CB-CE1 3.99Å; E568-F817 HydrophobicContact CB-CZ 4.07Å; P569-F817 HydrophobicContact CG-CE2 3.95Å; P569-F817 HydrophobicContact CG-CZ 3.92Å; L570-F817 HydrophobicContact CD1-CD2 4.44Å; L570-F817 HydrophobicContact CD1-CE1 3.87Å; L570-F817 HydrophobicContact CD1-CE2 3.79Å; L570-F817 HydrophobicContact CD1-CZ 3.46Å; L570-F817 VanDerWaalsContact CD1-CZ 3.46Å; L570-F817 HydrophobicContact CD2-CE2 4.5Å; L570-F817 HydrophobicContact CG-CE1 4.44Å; L570-F817 HydrophobicContact CG-CE2 3.88Å; L570-F817 HydrophobicContact CG-CZ 3.61Å; P808-F817 WeakPolarHBondContact CD-O 3.45Å; M814-F817 WeakPolarHBondContact O-CB 3.29Å; M814-F817 WeakPolarHBondContact O-CG 3.48Å; M814-F817 PolarHBondContact O-N 3.05Å; M814-F817 VanDerWaalsContact O-N 3.07Å; Y815-F817 HydrophobicContact CG-CE1 4.42Å; Y815-F817 WeakPolarHBondContact O-CD1 3.33Å; Y815-F817 PolarHBondContact O-N 3.49Å; F817-A821 HydrophobicContact CB-CB 3.81Å; F817-A821 HydrophobicContact CD1-CB 4.29Å; F817-A821 HydrophobicContact CD2-CB 4.31Å; F817-A821 HydrophobicContact CG-CB 3.91Å; F817-L822 HydrophobicContact CB-CD2 4.02Å; F817-L822 HydrophobicContact CB-CG 3.88Å; F817-L822 HydrophobicContact CD2-CD2 4.22Å
818T97.4Very high95.5Very high7 Ų742.7 Ų42.74%0.04321%0.214CC..  trans-72174.616764.40000110.8E581 T612 L807 L820 A821 L822E581-T818 WeakPolarHBondContact OE1-CB 3.1Å; E581-T818 WeakPolarHBondContact OE2-CB 3.4Å; E581-T818 WeakPolarHBondContact OE2-CG2 3.27Å; E581-T818 PolarHBondContact OE2-OG1 2.96Å; T612-T818 HydrophobicContact CG2-CG2 3.65Å; L807-T818 HydrophobicContact CD2-CG2 4.06Å; T818-L820 VanDerWaalsContact C-N 3.27Å; T818-L820 PolarHBondContact O-N 2.71Å; T818-L820 PolarHBondContact OG1-N 3.4Å; T818-A821 PolarHBondContact O-N 3.2Å; T818-A821 WeakPolarHBondContact OG1-CB 3.35Å; T818-A821 PolarHBondContact OG1-N 3.31Å; T818-A821 VanDerWaalsContact OG1-N 3.15Å; T818-L822 WeakPolarHBondContact O-CG 3.37Å; T818-L822 PolarHBondContact O-N 3.2Å
819R96.6Very high95.4Very high160 Ų16049.6 Ų49.660%0.60424%0.244SC*.Hα-helixtrans-60.6-35.6174.5-174.6174.3177.9179.5-3.3112.4Q823R819-Q823 VanDerWaalsContact O-CG 3.28Å; R819-Q823 WeakPolarHBondContact O-CG 3.41Å
820L97.4Very high95.3Very high4 Ų448.1 Ų48.12%0.02123%0.229CC..Hα-helixtrans-68.5-52.1173.6178.759.1000110.6E581 R633 T818 L822 Q823 L824E581-L820 HydrophobicContact CB-CB 4.46Å; E581-L820 HydrophobicContact CB-CD2 3.77Å; E581-L820 HydrophobicContact CG-CB 4.1Å; E581-L820 HydrophobicContact CG-CD2 4.28Å; R633-L820 VanDerWaalsContact NH1-CD1 3.34Å; T818-L820 VanDerWaalsContact C-N 3.27Å; T818-L820 PolarHBondContact O-N 2.71Å; T818-L820 PolarHBondContact OG1-N 3.4Å; L820-L822 VanDerWaalsContact C-N 3.28Å; L820-L822 PolarHBondContact O-N 3.3Å; L820-Q823 WeakPolarHBondContact O-CA 3.43Å; L820-Q823 WeakPolarHBondContact O-CB 3.35Å; L820-Q823 PolarHBondContact O-N 2.73Å; L820-L824 HydrophobicContact CD1-CD2 3.73Å; L820-L824 HydrophobicContact CD1-CG 4.35Å; L820-L824 HydrophobicContact CG-CD2 3.98Å; L820-L824 HydrophobicContact CG-CG 4.25Å; L820-L824 WeakPolarHBondContact O-CG 3.45Å; L820-L824 PolarHBondContact O-N 2.73Å; L820-L824 VanDerWaalsContact O-N 3.09Å
821A98.1Very high95.5Very high0 Ų044.3 Ų44.30%021%0.209CC..Hα-helixtrans-58.6-36-176.700000113.4L570 F817 T818 Q823L570-A821 HydrophobicContact CD1-CB 4.2Å; F817-A821 HydrophobicContact CB-CB 3.81Å; F817-A821 HydrophobicContact CD1-CB 4.29Å; F817-A821 HydrophobicContact CD2-CB 4.31Å; F817-A821 HydrophobicContact CG-CB 3.91Å; T818-A821 PolarHBondContact O-N 3.2Å; T818-A821 WeakPolarHBondContact OG1-CB 3.35Å; T818-A821 PolarHBondContact OG1-N 3.31Å; T818-A821 VanDerWaalsContact OG1-N 3.15Å; A821-Q823 PolarHBondContact O-N 3.13Å
822L97.7Very high95.6Very high1 Ų144 Ų441%0.00521%0.207CC..Hα-helixtrans-57.7-36.7170.8-77.1171.7000112.6R532 I535 P808 M814 F817 T818 L820R532-L822 VanDerWaalsContact CZ-O 3.23Å; R532-L822 PolarHBondContact NE-O 3.26Å; R532-L822 PolarHBondContact NH2-O 3.23Å; I535-L822 HydrophobicContact CB-CD2 4.39Å; I535-L822 HydrophobicContact CD1-CD2 4.1Å; I535-L822 HydrophobicContact CG1-CD2 3.77Å; I535-L822 HydrophobicContact CG2-CD2 4.04Å; P808-L822 HydrophobicContact CB-CD1 4.31Å; P808-L822 HydrophobicContact CG-CD1 3.78Å; M814-L822 HydrophobicContact CB-CD2 4.16Å; M814-L822 HydrophobicContact SD-CD2 4.02Å; F817-L822 HydrophobicContact CB-CD2 4.02Å; F817-L822 HydrophobicContact CB-CG 3.88Å; F817-L822 HydrophobicContact CD2-CD2 4.22Å; T818-L822 WeakPolarHBondContact O-CG 3.37Å; T818-L822 PolarHBondContact O-N 3.2Å; L820-L822 VanDerWaalsContact C-N 3.28Å; L820-L822 PolarHBondContact O-N 3.3Å
823Q97.8Very high95.9Very high8 Ų840.2 Ų40.24%0.03719%0.194CC..Hα-helixtrans-88.8-24-172.6-66.2173.8-10.200113.6R531 R532 R819 L820 A821 N825 E826R531-Q823 HydrophobicContact CB-CG 3.99Å; R532-Q823 VanDerWaalsContact O-CG 3.25Å; R532-Q823 WeakPolarHBondContact O-CG 3.33Å; R532-Q823 PolarHBondContact O-NE2 3.21Å; R819-Q823 VanDerWaalsContact O-CG 3.28Å; R819-Q823 WeakPolarHBondContact O-CG 3.41Å; L820-Q823 WeakPolarHBondContact O-CA 3.43Å; L820-Q823 WeakPolarHBondContact O-CB 3.35Å; L820-Q823 PolarHBondContact O-N 2.73Å; A821-Q823 PolarHBondContact O-N 3.13Å; Q823-N825 PolarHBondContact O-N 3.26Å; Q823-E826 WeakPolarHBondContact O-CB 3.4Å; Q823-E826 PolarHBondContact O-N 2.97Å
824L98.2Very high96.2Very high1 Ų134.3 Ų34.31%0.00517%0.172CC..THydrogen-bonded Turntrans-55.9-30.8-175-68.2-178.8000114.6L570 Q574 T577 E578 Y629 L820L570-L824 HydrophobicContact CD2-CB 3.95Å; Q574-L824 HydrophobicContact CB-CB 4.4Å; Q574-L824 HydrophobicContact CB-CD1 4.14Å; Q574-L824 HydrophobicContact CG-CB 4.28Å; Q574-L824 PolarHBondContact NE2-O 3.31Å; Q574-L824 VanDerWaalsContact NE2-O 3.15Å; Q574-L824 VanDerWaalsContact O-CD1 3.3Å; Q574-L824 WeakPolarHBondContact O-CD1 3.44Å; T577-L824 HydrophobicContact CG2-CD2 4.06Å; E578-L824 HydrophobicContact CG-CD1 3.52Å; Y629-L824 HydrophobicContact CE1-CD2 4.33Å; Y629-L824 VanDerWaalsContact CE2-O 3.24Å; Y629-L824 WeakPolarHBondContact CE2-O 3.26Å; Y629-L824 VanDerWaalsContact OH-CA 3.31Å; Y629-L824 WeakPolarHBondContact OH-CA 3.38Å; Y629-L824 WeakPolarHBondContact OH-CD2 3.39Å; Y629-L824 PolarHBondContact OH-O 3.45Å; L820-L824 HydrophobicContact CD1-CD2 3.73Å; L820-L824 HydrophobicContact CD1-CG 4.35Å; L820-L824 HydrophobicContact CG-CD2 3.98Å; L820-L824 HydrophobicContact CG-CG 4.25Å; L820-L824 WeakPolarHBondContact O-CG 3.45Å; L820-L824 PolarHBondContact O-N 2.73Å; L820-L824 VanDerWaalsContact O-N 3.09Å
825N98.3Very high96.4Very high1 Ų133.6 Ų33.61%0.00517%0.169CC..THydrogen-bonded Turntrans-106.814.9179.7-161.248.2000113.5L570 Q574 Q823 Q842 R843 E846L570-N825 HydrophobicContact CD2-CB 3.87Å; Q574-N825 PolarHBondContact NE2-OD1 3.2Å; Q574-N825 VanDerWaalsContact NE2-OD1 3.17Å; Q823-N825 PolarHBondContact O-N 3.26Å; N825-Q842 PolarHBondContact OD1-NE2 3.48Å; N825-R843 PolarHBondContact ND2-NH1 3.49Å; N825-R843 VanDerWaalsContact O-CZ 3.26Å; N825-R843 PolarHBondContact O-NH1 3.12Å; N825-R843 PolarHBondContact O-NH2 3.04Å; N825-R843 PolarHBondContact OD1-NH2 3.48Å; N825-E846 WeakPolarHBondContact CB-OE2 3.36Å; N825-E846 PolarHBondContact ND2-OE2 3.29Å
826E97.5Very high96.6Very high39 Ų3933.2 Ų33.218%0.18217%0.167CC..SBendtrans-62.3132.2167.8-172.5157.3-143.100109.8R531 R532 Q823 E828 R837R531-E826 VanDerWaalsContact CA-OE2 3.32Å; R531-E826 WeakPolarHBondContact CA-OE2 2.98Å; R531-E826 WeakPolarHBondContact CB-OE2 3.49Å; R532-E826 WeakPolarHBondContact CB-OE1 3.35Å; R532-E826 HydrophobicContact CG-CB 4.3Å; R532-E826 HydrophobicContact CG-CG 4.25Å; R532-E826 WeakPolarHBondContact CG-OE1 3.48Å; R532-E826 VanDerWaalsContact N-CD 3.28Å; R532-E826 PolarHBondContact N-OE1 3.08Å; R532-E826 PolarHBondContact N-OE2 3.04Å; Q823-E826 WeakPolarHBondContact O-CB 3.4Å; Q823-E826 PolarHBondContact O-N 2.97Å; E826-E828 PolarHBondContact O-N 3.49Å; E826-R837 WeakPolarHBondContact O-CD 3.36Å; E826-R837 PolarHBondContact O-NE 2.97Å; E826-R837 VanDerWaalsContact O-NE 3.09Å
827P95.8Very high96.7Very high89 Ų8932.7 Ų32.758%0.57816%0.163SC*.  trans-60.3132175.5-22.533.7000111.4
828E94Very high96.7Very high37 Ų3736.9 Ų36.917%0.17319%0.185CC..  trans-119.6150.5169.4-76.3-175.2-103.300108.7R526 R531 E826 V831 R837R526-E828 IonicContact CZ-OE2 2.92Å; R526-E828 IonicContact NH1-OE2 3.74Å; R526-E828 PolarHBondContact NH1-OE2 3.02Å; R526-E828 VanDerWaalsContact NH1-OE2 3.16Å; R526-E828 IonicContact NH2-OE2 2.73Å; R526-E828 PolarHBondContact NH2-OE2 2.83Å; R531-E828 IonicContact NH1-OE1 3.47Å; E826-E828 PolarHBondContact O-N 3.49Å; E828-V831 HydrophobicContact CB-CG1 3.95Å; E828-R837 IonicContact OE1-CZ 2.78Å; E828-R837 IonicContact OE1-NE 3.63Å; E828-R837 IonicContact OE1-NH2 3.65Å; E828-R837 PolarHBondContact OE1-NH2 2.95Å
829E92.1Very high96.8Very high172 Ų17236.7 Ų36.780%0.80418%0.183SC*.THydrogen-bonded Turntrans-77.1160.1176.5-63.1-179.2153.900111V831E829-V831 PolarHBondContact O-N 2.99Å
830D91.5Very high96.8Very high86 Ų8631.2 Ų31.246%0.4617%0.168SC..THydrogen-bonded Turntrans57.211.1177-66.3-61.3000117.5H953 W955D830-H953 IonicContact OD1-CE1 2.83Å; D830-H953 PolarHBondContact OD1-CE1 3.38Å; D830-H953 IonicContact OD1-ND1 2.68Å; D830-H953 PolarHBondContact OD1-ND1 3.03Å; D830-H953 IonicContact OD2-CE1 2.85Å; D830-H953 PolarHBondContact OD2-CE1 3.42Å; D830-H953 VanDerWaalsContact OD2-CE1 3.28Å; D830-H953 IonicContact OD2-ND1 2.74Å; D830-W955 VanDerWaalsContact O-CZ2 3.31Å; D830-W955 WeakPolarHBondContact O-CZ2 3.5Å; D830-W955 PolarHBondContact O-NE1 3.37Å
831V95.4Very high96.8Very high15 Ų1531 Ų319%0.09117%0.167CC..  trans-62.6150.3172.8-56.40000111.8E630 E828 E829 D835 L838E630-V831 HydrophobicContact CG-CG1 4.38Å; E828-V831 HydrophobicContact CB-CG1 3.95Å; E829-V831 PolarHBondContact O-N 2.99Å; V831-D835 HydrophobicContact CB-CB 4.07Å; V831-D835 HydrophobicContact CG2-CB 4.1Å; V831-L838 HydrophobicContact CG2-CD1 4.04Å; V831-L838 HydrophobicContact CG2-CD2 4.19Å; V831-L838 HydrophobicContact CG2-CG 4Å
832C95.5Very high96.7Very high0 Ų031 Ų310%017%0.167CC..  trans-61.8150.1177.758.30000112.5T628 T834 D835 L838 Y946 W955T628-C832 PolarHBondContact OG1-SG 2.82Å; C832-T834 PolarHBondContact O-N 2.89Å; C832-D835 WeakPolarHBondContact O-CB 3.28Å; C832-D835 PolarHBondContact O-N 2.89Å; C832-L838 WeakPolarHBondContact O-CD1 3.49Å; C832-Y946 HydrophobicContact CB-CE2 3.88Å; C832-Y946 VanDerWaalsContact SG-CE2 3.58Å; C832-Y946 PolarHBondContact SG-OH 2.88Å; C832-Y946 VanDerWaalsContact SG-OH 3.39Å; C832-W955 HydrophobicContact CB-CD2 3.79Å; C832-W955 HydrophobicContact CB-CE3 3.67Å; C832-W955 HydrophobicContact CB-CG 4.49Å; C832-W955 HydrophobicContact CB-CH2 3.88Å; C832-W955 HydrophobicContact CB-CZ2 3.99Å; C832-W955 HydrophobicContact CB-CZ3 3.73Å
833P97.2Very high96.7Very high57 Ų5733.8 Ų33.837%0.3718%0.178SC..THydrogen-bonded Turntrans-58.1-13.9179.6-27.235.3000115.8W955 C958 Y962P833-W955 HydrophobicContact CG-CB 4.02Å; P833-C958 HydrophobicContact CG-CB 4.28Å; P833-Y962 WeakPolarHBondContact O-CD2 3.32Å; P833-Y962 WeakPolarHBondContact O-CE2 3.4Å
834T97.8Very high96.7Very high2 Ų235.2 Ų35.21%0.01219%0.185CC..THydrogen-bonded Turntrans-99.1-0.9179.851.50000113.8G626 T628 C832 C958 P959 I961 Y962G626-T834 WeakPolarHBondContact O-CB 3.21Å; T628-T834 PolarHBondContact N-O 2.79Å; T628-T834 VanDerWaalsContact OG1-C 3.24Å; T628-T834 WeakPolarHBondContact OG1-CB 3.39Å; T628-T834 PolarHBondContact OG1-O 3.39Å; T628-T834 PolarHBondContact OG1-OG1 3.09Å; C832-T834 PolarHBondContact O-N 2.89Å; T834-C958 HydrophobicContact CG2-CB 4.4Å; T834-P959 HydrophobicContact CG2-CG 4.28Å; T834-P959 WeakPolarHBondContact CG2-O 3.39Å; T834-I961 HydrophobicContact CG2-CD1 3.84Å; T834-I961 HydrophobicContact CG2-CG1 4.03Å; T834-I961 HydrophobicContact CG2-CG2 4.17Å; T834-Y962 PolarHBondContact O-OH 3.43Å; T834-Y962 VanDerWaalsContact O-OH 3.14Å
835D98.5Very high96.6Very high0 Ų035.2 Ų35.20%019%0.185CC..BIsolated β-bridgetrans-66.5139.5-177.1-171.1-91.2000112.7T628 Y629 E630 V831 C832 R837 L838 Y962T628-D835 CarbonylContact O-C 3.59Å; T628-D835 VanDerWaalsContact O-CA 3.26Å; T628-D835 WeakPolarHBondContact O-CA 3.32Å; T628-D835 PolarHBondContact OG1-N 3.21Å; Y629-D835 WeakPolarHBondContact CA-OD2 3.49Å; E630-D835 WeakPolarHBondContact CG-OD2 3.33Å; E630-D835 PolarHBondContact N-OD2 2.89Å; V831-D835 HydrophobicContact CB-CB 4.07Å; V831-D835 HydrophobicContact CG2-CB 4.1Å; C832-D835 WeakPolarHBondContact O-CB 3.28Å; C832-D835 PolarHBondContact O-N 2.89Å; D835-R837 VanDerWaalsContact CG-NH1 3.29Å; D835-R837 PolarHBondContact O-N 3.07Å; D835-R837 VanDerWaalsContact O-N 3.1Å; D835-R837 WeakPolarHBondContact OD1-CB 3.29Å; D835-R837 WeakPolarHBondContact OD1-CD 3.46Å; D835-R837 WeakPolarHBondContact OD1-CG 3.39Å; D835-R837 IonicContact OD1-CZ 3.85Å; D835-R837 PolarHBondContact OD1-N 3.36Å; D835-R837 IonicContact OD1-NH1 3.19Å; D835-R837 PolarHBondContact OD1-NH1 3.41Å; D835-R837 IonicContact OD2-NH1 3.74Å; D835-R837 PolarHBondContact OD2-NH1 2.71Å; D835-L838 PolarHBondContact O-N 3.09Å; D835-Y962 PolarHBondContact O-OH 3.06Å
836S98.4Very high96.5Very high0 Ų035.8 Ų35.80%019%0.188CC..G310 helixtrans-56.3-24.7178.3-63.10000114S571 E627 T628 L838 R839S571-S836 WeakPolarHBondContact CB-OG 3.48Å; S571-S836 PolarHBondContact OG-OG 2.88Å; E627-S836 PolarHBondContact OE1-OG 2.89Å; T628-S836 PolarHBondContact O-N 3.47Å; T628-S836 PolarHBondContact O-OG 3.18Å; S836-L838 PolarHBondContact O-N 3.14Å; S836-R839 WeakPolarHBondContact O-CB 3.4Å; S836-R839 PolarHBondContact O-N 3.36Å; S836-R839 VanDerWaalsContact O-N 3.15Å
837R98.2Very high96.4Very high7 Ų736.5 Ų36.53%0.02620%0.201CC..G310 helixtrans-61.9-30.3175.6-68.7169.2-173.780.3-8.2113.2E630 E826 E828 D835 R839 R843E630-R837 VanDerWaalsContact O-CZ 3.27Å; E630-R837 PolarHBondContact O-NH1 3.31Å; E630-R837 PolarHBondContact O-NH2 2.77Å; E826-R837 WeakPolarHBondContact O-CD 3.36Å; E826-R837 PolarHBondContact O-NE 2.97Å; E826-R837 VanDerWaalsContact O-NE 3.09Å; E828-R837 IonicContact OE1-CZ 2.78Å; E828-R837 IonicContact OE1-NE 3.63Å; E828-R837 IonicContact OE1-NH2 3.65Å; E828-R837 PolarHBondContact OE1-NH2 2.95Å; D835-R837 VanDerWaalsContact CG-NH1 3.29Å; D835-R837 PolarHBondContact O-N 3.07Å; D835-R837 VanDerWaalsContact O-N 3.1Å; D835-R837 WeakPolarHBondContact OD1-CB 3.29Å; D835-R837 WeakPolarHBondContact OD1-CD 3.46Å; D835-R837 WeakPolarHBondContact OD1-CG 3.39Å; D835-R837 IonicContact OD1-CZ 3.85Å; D835-R837 PolarHBondContact OD1-N 3.36Å; D835-R837 IonicContact OD1-NH1 3.19Å; D835-R837 PolarHBondContact OD1-NH1 3.41Å; D835-R837 IonicContact OD2-NH1 3.74Å; D835-R837 PolarHBondContact OD2-NH1 2.71Å; R837-R839 VanDerWaalsContact C-N 3.34Å; R837-R843 PolarHBondContact O-NE 3.23Å; R837-R843 PolarHBondContact O-NH2 2.88Å
838L97.8Very high96.2Very high88 Ų8833.6 Ų33.646%0.46119%0.186SC..G310 helixtrans-85.1-9.7-179.7-59.1-178.7000112.5V831 C832 D835 S836 P840 Y962V831-L838 HydrophobicContact CG2-CD1 4.04Å; V831-L838 HydrophobicContact CG2-CD2 4.19Å; V831-L838 HydrophobicContact CG2-CG 4Å; C832-L838 WeakPolarHBondContact O-CD1 3.49Å; D835-L838 PolarHBondContact O-N 3.09Å; S836-L838 PolarHBondContact O-N 3.14Å; L838-P840 WeakPolarHBondContact O-CD 3.45Å; L838-Y962 HydrophobicContact CB-CD2 4.34Å; L838-Y962 HydrophobicContact CB-CE2 3.94Å
839R98Very high96.1Very high4 Ų437.9 Ų37.92%0.01520%0.201CC..  trans-65.4116.4-174.9-170.1179.9160.8138.42.3111.6N622 E627 S836 R837 D841 Q842 R843 L860 Y962N622-R839 PolarHBondContact O-NH1 3.32Å; E627-R839 IonicContact OE1-NH1 2.76Å; E627-R839 IonicContact OE2-CZ 3.64Å; E627-R839 IonicContact OE2-NH1 3.77Å; E627-R839 PolarHBondContact OE2-NH1 3.43Å; S836-R839 WeakPolarHBondContact O-CB 3.4Å; S836-R839 PolarHBondContact O-N 3.36Å; S836-R839 VanDerWaalsContact O-N 3.15Å; R837-R839 VanDerWaalsContact C-N 3.34Å; R839-D841 VanDerWaalsContact CG-OD1 3.26Å; R839-D841 WeakPolarHBondContact CG-OD1 3.4Å; R839-D841 IonicContact CZ-OD1 3.27Å; R839-D841 IonicContact CZ-OD2 3.7Å; R839-D841 IonicContact NE-OD1 3.47Å; R839-D841 PolarHBondContact NE-OD1 3.39Å; R839-D841 IonicContact NE-OD2 2.76Å; R839-D841 IonicContact NH2-OD1 3.31Å; R839-D841 IonicContact NH2-OD2 3.85Å; R839-D841 PolarHBondContact NH2-OD2 3.4Å; R839-Q842 HydrophobicContact CB-CB 4.36Å; R839-Q842 HydrophobicContact CG-CB 4.36Å; R839-R843 WeakPolarHBondContact O-CB 3.31Å; R839-R843 PolarHBondContact O-N 3.44Å; R839-L860 HydrophobicContact CG-CD1 4.23Å; R839-Y962 HydrophobicContact CB-CE1 3.8Å; R839-Y962 HydrophobicContact CG-CD1 4.32Å; R839-Y962 HydrophobicContact CG-CE1 3.63Å
840P97.7Very high96Very high44 Ų4430.5 Ų30.529%0.28617%0.166SC..Hα-helixtrans-73-37.7-164.724.3-33.3000114.7L838 R843 L844 L860L838-P840 WeakPolarHBondContact O-CD 3.45Å; P840-R843 PolarHBondContact O-N 3.22Å; P840-L844 WeakPolarHBondContact O-CB 2.78Å; P840-L844 WeakPolarHBondContact O-CD1 3.39Å; P840-L844 WeakPolarHBondContact O-CG 3.24Å; P840-L844 PolarHBondContact O-N 3.16Å; P840-L860 HydrophobicContact CG-CD1 4.04Å; P840-L860 HydrophobicContact CG-CD2 4.28Å; P840-L860 HydrophobicContact CG-CG 4.42Å
841D97.1Very high95.9Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-63.9-42.8178.564-19000112F621 R839 L844 M845 A853 A856 K857 L860F621-D841 WeakPolarHBondContact CD1-OD2 3.24Å; F621-D841 HydrophobicContact CE1-CB 4.19Å; F621-D841 VanDerWaalsContact CE1-OD2 3.25Å; F621-D841 WeakPolarHBondContact CE1-OD2 3.31Å; R839-D841 VanDerWaalsContact CG-OD1 3.26Å; R839-D841 WeakPolarHBondContact CG-OD1 3.4Å; R839-D841 IonicContact CZ-OD1 3.27Å; R839-D841 IonicContact CZ-OD2 3.7Å; R839-D841 IonicContact NE-OD1 3.47Å; R839-D841 PolarHBondContact NE-OD1 3.39Å; R839-D841 IonicContact NE-OD2 2.76Å; R839-D841 IonicContact NH2-OD1 3.31Å; R839-D841 IonicContact NH2-OD2 3.85Å; R839-D841 PolarHBondContact NH2-OD2 3.4Å; D841-L844 PolarHBondContact O-N 2.9Å; D841-M845 PolarHBondContact O-N 2.91Å; D841-A853 WeakPolarHBondContact CB-O 3.35Å; D841-A853 VanDerWaalsContact O-CB 3.23Å; D841-A853 WeakPolarHBondContact O-CB 3.38Å; D841-A856 HydrophobicContact CB-CB 3.9Å; D841-K857 HydrophobicContact CB-CB 3.84Å; D841-K857 WeakPolarHBondContact OD2-CB 3.35Å; D841-L860 HydrophobicContact CB-CD1 4.24Å; D841-L860 WeakPolarHBondContact OD1-CD1 3.46Å
842Q97.1Very high95.9Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-66-43.7176.1-169.5-178.1-46.500112.1P569 F621 N825 R839 M845 E846P569-Q842 WeakPolarHBondContact O-CG 3.23Å; P569-Q842 PolarHBondContact O-NE2 3.12Å; F621-Q842 HydrophobicContact CD2-CB 4.17Å; F621-Q842 HydrophobicContact CD2-CG 3.9Å; F621-Q842 HydrophobicContact CE2-CB 4.17Å; F621-Q842 HydrophobicContact CE2-CG 4.02Å; F621-Q842 HydrophobicContact CG-CB 4.45Å; F621-Q842 HydrophobicContact CZ-CB 4.43Å; N825-Q842 PolarHBondContact OD1-NE2 3.48Å; R839-Q842 HydrophobicContact CB-CB 4.36Å; R839-Q842 HydrophobicContact CG-CB 4.36Å; Q842-M845 WeakPolarHBondContact O-CB 3.37Å; Q842-M845 PolarHBondContact O-N 3.15Å; Q842-E846 PolarHBondContact O-N 3.26Å
843R97.3Very high95.8Very high60 Ų6034.5 Ų34.523%0.22618%0.184CC..Hα-helixtrans-62.8-42176.2-174.860.360.5-164.81.1112.3N825 R837 R839 P840 M845 E846 A847N825-R843 PolarHBondContact ND2-NH1 3.49Å; N825-R843 VanDerWaalsContact O-CZ 3.26Å; N825-R843 PolarHBondContact O-NH1 3.12Å; N825-R843 PolarHBondContact O-NH2 3.04Å; N825-R843 PolarHBondContact OD1-NH2 3.48Å; R837-R843 PolarHBondContact O-NE 3.23Å; R837-R843 PolarHBondContact O-NH2 2.88Å; R839-R843 WeakPolarHBondContact O-CB 3.31Å; R839-R843 PolarHBondContact O-N 3.44Å; P840-R843 PolarHBondContact O-N 3.22Å; R843-M845 VanDerWaalsContact C-N 3.32Å; R843-M845 PolarHBondContact O-N 3.07Å; R843-E846 IonicContact CZ-OE1 2.72Å; R843-E846 IonicContact NH1-OE1 3.66Å; R843-E846 PolarHBondContact NH1-OE1 3.08Å; R843-E846 IonicContact NH1-OE2 3.88Å; R843-E846 PolarHBondContact O-N 3.37Å; R843-A847 PolarHBondContact O-N 3.5Å; R843-A847 VanDerWaalsContact O-N 3.11Å
844L96.8Very high95.5Very high38 Ų3833.7 Ų33.720%0.19918%0.177CC..Hα-helixtrans-64.4-36.6175-72.8163.3000111.6P840 D841 A847 G848 R849 E852 A853 A856P840-L844 WeakPolarHBondContact O-CB 2.78Å; P840-L844 WeakPolarHBondContact O-CD1 3.39Å; P840-L844 WeakPolarHBondContact O-CG 3.24Å; P840-L844 PolarHBondContact O-N 3.16Å; D841-L844 PolarHBondContact O-N 2.9Å; L844-A847 PolarHBondContact O-N 3.03Å; L844-G848 PolarHBondContact O-N 3.48Å; L844-R849 HydrophobicContact CB-CB 4.46Å; L844-R849 HydrophobicContact CD2-CB 4.17Å; L844-R849 WeakPolarHBondContact O-CA 3.49Å; L844-R849 PolarHBondContact O-N 3.09Å; L844-E852 HydrophobicContact CD1-CB 3.99Å; L844-E852 HydrophobicContact CD2-CB 4.06Å; L844-E852 HydrophobicContact CG-CB 4.45Å; L844-A853 HydrophobicContact CB-CB 3.85Å; L844-A856 HydrophobicContact CD1-CB 3.97Å
845M95.7Very high95.2Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-66.3-42.3175.3-174.9177.8179.100112.5V564 S567 P569 F621 Y815 D841 Q842 R843 A847 G848 W850 A853V564-M845 HydrophobicContact CB-CE 4.49Å; V564-M845 HydrophobicContact CB-CG 4.45Å; V564-M845 HydrophobicContact CB-SD 3.87Å; V564-M845 WeakPolarHBondContact O-CE 3.34Å; S567-M845 VanDerWaalsContact O-CE 3.25Å; S567-M845 WeakPolarHBondContact O-CE 3.46Å; P569-M845 HydrophobicContact CB-CG 4.45Å; F621-M845 HydrophobicContact CE2-CB 4.39Å; F621-M845 HydrophobicContact CE2-SD 3.55Å; F621-M845 VanDerWaalsContact CE2-SD 3.55Å; F621-M845 HydrophobicContact CZ-CB 4.14Å; F621-M845 HydrophobicContact CZ-SD 3.71Å; Y815-M845 HydrophobicContact CE1-CE 3.67Å; D841-M845 PolarHBondContact O-N 2.91Å; Q842-M845 WeakPolarHBondContact O-CB 3.37Å; Q842-M845 PolarHBondContact O-N 3.15Å; R843-M845 VanDerWaalsContact C-N 3.32Å; R843-M845 PolarHBondContact O-N 3.07Å; M845-A847 VanDerWaalsContact C-N 3.29Å; M845-A847 PolarHBondContact O-N 3.15Å; M845-G848 PolarHBondContact O-N 3.19Å; M845-W850 HydrophobicContact CE-CZ2 4.09Å; M845-A853 HydrophobicContact CB-CB 3.99Å
846E96.5Very high95Very high14 Ų1441.5 Ų41.57%0.06521%0.209CC..Hα-helixtrans-61.1-39.5175.9-166.7-176.787.400111.6R532 I535 P569 N825 Q842 R843 G848R532-E846 IonicContact CZ-OE1 2.72Å; R532-E846 IonicContact CZ-OE2 3.42Å; R532-E846 VanDerWaalsContact NH1-CD 3.33Å; R532-E846 IonicContact NH1-OE1 3.17Å; R532-E846 PolarHBondContact NH1-OE1 3.3Å; R532-E846 IonicContact NH1-OE2 3.58Å; R532-E846 PolarHBondContact NH1-OE2 3.05Å; R532-E846 IonicContact NH2-OE1 2.69Å; R532-E846 IonicContact NH2-OE2 3.68Å; R532-E846 PolarHBondContact NH2-OE2 3.09Å; I535-E846 HydrophobicContact CB-CG 4.47Å; I535-E846 HydrophobicContact CG2-CG 4.39Å; P569-E846 HydrophobicContact CB-CB 3.8Å; P569-E846 HydrophobicContact CB-CG 4.27Å; P569-E846 HydrophobicContact CG-CB 4.43Å; P569-E846 HydrophobicContact CG-CG 4.46Å; N825-E846 WeakPolarHBondContact CB-OE2 3.36Å; N825-E846 PolarHBondContact ND2-OE2 3.29Å; Q842-E846 PolarHBondContact O-N 3.26Å; R843-E846 IonicContact CZ-OE1 2.72Å; R843-E846 IonicContact NH1-OE1 3.66Å; R843-E846 PolarHBondContact NH1-OE1 3.08Å; R843-E846 IonicContact NH1-OE2 3.88Å; R843-E846 PolarHBondContact O-N 3.37Å; E846-G848 PolarHBondContact O-N 3.24Å
847A95.2Very high94.8Very high54 Ų5442.5 Ų42.545%0.44621%0.214SC..THydrogen-bonded Turntrans-74.34.7174.300000114.2R843 L844 M845 R849R843-A847 PolarHBondContact O-N 3.5Å; R843-A847 VanDerWaalsContact O-N 3.11Å; L844-A847 PolarHBondContact O-N 3.03Å; M845-A847 VanDerWaalsContact C-N 3.29Å; M845-A847 PolarHBondContact O-N 3.15Å; A847-R849 HydrophobicContact CB-CG 4.39Å; A847-R849 PolarHBondContact O-N 3.03Å
848G92.1Very high94.4Very high27 Ų2746.2 Ų46.228%0.27824%0.237SC..THydrogen-bonded Turntrans74.92.6-179.400000115.4L844 M845 E846 W850L844-G848 PolarHBondContact O-N 3.48Å; M845-G848 PolarHBondContact O-N 3.19Å; E846-G848 PolarHBondContact O-N 3.24Å; G848-W850 PolarHBondContact O-N 3.1Å
849R93Very high94.2Very high128 Ų12849 Ų4948%0.48325%0.247SC..  trans-83.258.5-176.3-60.6174.970.9170.83.6111.1L844 A847 D851 E852 A853L844-R849 HydrophobicContact CB-CB 4.46Å; L844-R849 HydrophobicContact CD2-CB 4.17Å; L844-R849 WeakPolarHBondContact O-CA 3.49Å; L844-R849 PolarHBondContact O-N 3.09Å; A847-R849 HydrophobicContact CB-CG 4.39Å; A847-R849 PolarHBondContact O-N 3.03Å; R849-D851 VanDerWaalsContact C-N 3.35Å; R849-D851 PolarHBondContact O-N 3.46Å; R849-E852 HydrophobicContact CB-CB 4.33Å; R849-E852 IonicContact CZ-OE1 3.53Å; R849-E852 IonicContact CZ-OE2 2.97Å; R849-E852 IonicContact NE-OE1 3.46Å; R849-E852 PolarHBondContact NE-OE1 3.46Å; R849-E852 IonicContact NE-OE2 3.8Å; R849-E852 IonicContact NH2-OE1 3.63Å; R849-E852 PolarHBondContact NH2-OE1 2.83Å; R849-E852 IonicContact NH2-OE2 2.71Å; R849-E852 PolarHBondContact NH2-OE2 3.28Å; R849-E852 PolarHBondContact O-N 3.12Å; R849-A853 PolarHBondContact O-N 2.86Å
850W90Very high94Very high17 Ų1748.9 Ų48.96%0.06425%0.247CC..Hα-helixtrans-59.9-34.5-166.7-75.911.3000114.8K538 P539 I541 V564 N565 Y815 M845 G848 E852 A853 N854K538-W850 HydrophobicContact CB-CZ2 4.35Å; P539-W850 HydrophobicContact CB-CD2 4.29Å; P539-W850 HydrophobicContact CB-CE3 4.29Å; P539-W850 HydrophobicContact CB-CH2 4.38Å; P539-W850 HydrophobicContact CB-CZ2 4.38Å; P539-W850 HydrophobicContact CB-CZ3 4.33Å; P539-W850 HydrophobicContact CG-CD2 4Å; P539-W850 HydrophobicContact CG-CE3 4.49Å; P539-W850 HydrophobicContact CG-CG 4.29Å; P539-W850 HydrophobicContact CG-CZ2 4.26Å; I541-W850 HydrophobicContact CB-CE3 4.34Å; I541-W850 HydrophobicContact CB-CZ3 3.99Å; V564-W850 HydrophobicContact CG2-CB 3.84Å; V564-W850 HydrophobicContact CG2-CD2 4.33Å; V564-W850 HydrophobicContact CG2-CG 3.94Å; N565-W850 HydrophobicContact CB-CE3 4.3Å; N565-W850 HydrophobicContact CB-CZ3 3.9Å; N565-W850 WeakPolarHBondContact ND2-CZ3 3.32Å; Y815-W850 HydrophobicContact CE1-CZ2 4.3Å; Y815-W850 PolarHBondContact OH-NE1 3.02Å; M845-W850 HydrophobicContact CE-CZ2 4.09Å; G848-W850 PolarHBondContact O-N 3.1Å; W850-E852 VanDerWaalsContact C-N 3.34Å; W850-A853 PolarHBondContact O-N 3.04Å; W850-N854 WeakPolarHBondContact O-CB 3.41Å; W850-N854 PolarHBondContact O-N 3.07Å; W850-N854 PolarHBondContact O-ND2 3.05Å
851D89.3Confident93.6Very high118 Ų11848.8 Ų48.863%0.63124%0.243SC*.Hα-helixtrans-71.2-30177-66.3-37.5000113.2R849 R855R849-D851 VanDerWaalsContact C-N 3.35Å; R849-D851 PolarHBondContact O-N 3.46Å; D851-R855 WeakPolarHBondContact O-CG 3.42Å; D851-R855 PolarHBondContact O-N 3.28Å; D851-R855 PolarHBondContact O-NH1 3.26Å
852E94.3Very high93.3Very high66 Ų6651.8 Ų51.831%0.30826%0.257SS..Hα-helixtrans-77.3-39.2173.6-70.1175.3-96.100110.9L844 R849 W850 N854 R855 A856L844-E852 HydrophobicContact CD1-CB 3.99Å; L844-E852 HydrophobicContact CD2-CB 4.06Å; L844-E852 HydrophobicContact CG-CB 4.45Å; R849-E852 HydrophobicContact CB-CB 4.33Å; R849-E852 IonicContact CZ-OE1 3.53Å; R849-E852 IonicContact CZ-OE2 2.97Å; R849-E852 IonicContact NE-OE1 3.46Å; R849-E852 PolarHBondContact NE-OE1 3.46Å; R849-E852 IonicContact NE-OE2 3.8Å; R849-E852 IonicContact NH2-OE1 3.63Å; R849-E852 PolarHBondContact NH2-OE1 2.83Å; R849-E852 IonicContact NH2-OE2 2.71Å; R849-E852 PolarHBondContact NH2-OE2 3.28Å; R849-E852 PolarHBondContact O-N 3.12Å; W850-E852 VanDerWaalsContact C-N 3.34Å; E852-N854 VanDerWaalsContact C-N 3.34Å; E852-N854 PolarHBondContact O-N 3.35Å; E852-R855 PolarHBondContact O-N 3.4Å; E852-R855 VanDerWaalsContact O-N 3.13Å; E852-A856 WeakPolarHBondContact O-CB 3.46Å; E852-A856 PolarHBondContact O-N 2.85Å
853A94Very high93.1Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-57.9-45.2170.600000111.8V564 D841 L844 M845 R849 W850 R855 K857V564-A853 HydrophobicContact CG1-CB 4.08Å; V564-A853 HydrophobicContact CG2-CB 4.24Å; D841-A853 WeakPolarHBondContact CB-O 3.35Å; D841-A853 VanDerWaalsContact O-CB 3.23Å; D841-A853 WeakPolarHBondContact O-CB 3.38Å; L844-A853 HydrophobicContact CB-CB 3.85Å; M845-A853 HydrophobicContact CB-CB 3.99Å; R849-A853 PolarHBondContact O-N 2.86Å; W850-A853 PolarHBondContact O-N 3.04Å; A853-R855 VanDerWaalsContact C-N 3.33Å; A853-R855 PolarHBondContact O-N 2.99Å; A853-K857 WeakPolarHBondContact O-CB 3.49Å; A853-K857 PolarHBondContact O-N 3.47Å
854N89.7Confident92.8Very high41 Ų4152.6 Ų52.622%0.21927%0.265CS..Hα-helixtrans-59.4-39.9173.6-80.6-42.7000112.2V564 W850 E852 V858V564-N854 PolarHBondContact N-OD1 3.38Å; W850-N854 WeakPolarHBondContact O-CB 3.41Å; W850-N854 PolarHBondContact O-N 3.07Å; W850-N854 PolarHBondContact O-ND2 3.05Å; E852-N854 VanDerWaalsContact C-N 3.34Å; E852-N854 PolarHBondContact O-N 3.35Å; N854-V858 WeakPolarHBondContact O-CG2 3.19Å; N854-V858 PolarHBondContact O-N 3.28Å
855R92.7Very high92.4Very high153 Ų15356.2 Ų56.258%0.57728%0.276SS*.Hα-helixtrans-67.4-52.5177-74.1-171.2-64.3-89.424.6112.2D851 E852 A853 K857 V858 E859D851-R855 WeakPolarHBondContact O-CG 3.42Å; D851-R855 PolarHBondContact O-N 3.28Å; D851-R855 PolarHBondContact O-NH1 3.26Å; E852-R855 PolarHBondContact O-N 3.4Å; E852-R855 VanDerWaalsContact O-N 3.13Å; A853-R855 VanDerWaalsContact C-N 3.33Å; A853-R855 PolarHBondContact O-N 2.99Å; R855-K857 VanDerWaalsContact C-N 3.26Å; R855-K857 PolarHBondContact O-N 2.84Å; R855-V858 PolarHBondContact O-N 3.38Å; R855-E859 PolarHBondContact O-N 2.96Å; R855-E859 VanDerWaalsContact O-N 3.12Å
856A94.9Very high92.1Very high13 Ų1360.2 Ų60.211%0.10730%0.295CS..Hα-helixtrans-59.3-37.8178.800000111.8D841 L844 E852 V858 E859 L860D841-A856 HydrophobicContact CB-CB 3.9Å; L844-A856 HydrophobicContact CD1-CB 3.97Å; E852-A856 WeakPolarHBondContact O-CB 3.46Å; E852-A856 PolarHBondContact O-N 2.85Å; A856-V858 PolarHBondContact O-N 2.95Å; A856-E859 PolarHBondContact O-N 3.27Å; A856-L860 WeakPolarHBondContact O-CG 3.47Å; A856-L860 PolarHBondContact O-N 3.07Å
857K93.2Very high91.8Very high21 Ų2162.6 Ų62.69%0.09130%0.303CS..Hα-helixtrans-60.3-46.8176.3-178.4175.4-1761750112.3M562 V564 F621 D841 A853 R855 E859 L860 E861M562-K857 PolarHBondContact O-NZ 2.98Å; V564-K857 HydrophobicContact CG1-CD 4.13Å; F621-K857 HydrophobicContact CE1-CD 4.25Å; D841-K857 HydrophobicContact CB-CB 3.84Å; D841-K857 WeakPolarHBondContact OD2-CB 3.35Å; A853-K857 WeakPolarHBondContact O-CB 3.49Å; A853-K857 PolarHBondContact O-N 3.47Å; R855-K857 VanDerWaalsContact C-N 3.26Å; R855-K857 PolarHBondContact O-N 2.84Å; K857-E859 VanDerWaalsContact C-N 3.29Å; K857-E859 PolarHBondContact O-N 3Å; K857-L860 PolarHBondContact O-N 3.03Å; K857-E861 VanDerWaalsContact CE-OE1 3.23Å; K857-E861 WeakPolarHBondContact CE-OE1 3.45Å; K857-E861 HydrophobicContact CG-CG 4.49Å; K857-E861 WeakPolarHBondContact O-CB 3.48Å; K857-E861 VanDerWaalsContact O-CG 3.31Å; K857-E861 WeakPolarHBondContact O-CG 3.42Å; K857-E861 PolarHBondContact O-N 3.21Å
858V89Confident91.4Very high84 Ų8463.2 Ų63.251%0.50929%0.294SS..Hα-helixtrans-63.1-38.5177.9170.50000111.1N854 R855 A856 E862N854-V858 WeakPolarHBondContact O-CG2 3.19Å; N854-V858 PolarHBondContact O-N 3.28Å; R855-V858 PolarHBondContact O-N 3.38Å; A856-V858 PolarHBondContact O-N 2.95Å; V858-E862 VanDerWaalsContact O-CB 3.24Å; V858-E862 WeakPolarHBondContact O-CB 3.49Å; V858-E862 PolarHBondContact O-N 3.17Å
859E94.2Very high91.2Very high146 Ų14668.4 Ų68.468%0.68231%0.305SS*.Hα-helixtrans-66-49.4176.9-174.8164.7-159.800112.4R855 A856 K857 E862 L863R855-E859 PolarHBondContact O-N 2.96Å; R855-E859 VanDerWaalsContact O-N 3.12Å; A856-E859 PolarHBondContact O-N 3.27Å; K857-E859 VanDerWaalsContact C-N 3.29Å; K857-E859 PolarHBondContact O-N 3Å; E859-E862 PolarHBondContact O-N 3.35Å; E859-L863 WeakPolarHBondContact O-CB 3.41Å; E859-L863 PolarHBondContact O-N 3.47Å
860L94Very high91Very high3 Ų367.6 Ų67.62%0.01631%0.307CS..Hα-helixtrans-59.7-48175.7-71.2177.8000112.6L624 R839 P840 D841 A856 K857 E862 L863 Q864 Y962L624-L860 HydrophobicContact CD1-CB 4.21Å; L624-L860 HydrophobicContact CD1-CD1 4.45Å; L624-L860 HydrophobicContact CD1-CD2 4.14Å; L624-L860 HydrophobicContact CD2-CB 4.45Å; R839-L860 HydrophobicContact CG-CD1 4.23Å; P840-L860 HydrophobicContact CG-CD1 4.04Å; P840-L860 HydrophobicContact CG-CD2 4.28Å; P840-L860 HydrophobicContact CG-CG 4.42Å; D841-L860 HydrophobicContact CB-CD1 4.24Å; D841-L860 WeakPolarHBondContact OD1-CD1 3.46Å; A856-L860 WeakPolarHBondContact O-CG 3.47Å; A856-L860 PolarHBondContact O-N 3.07Å; K857-L860 PolarHBondContact O-N 3.03Å; L860-E862 VanDerWaalsContact C-N 3.3Å; L860-E862 PolarHBondContact O-N 3.07Å; L860-L863 PolarHBondContact O-N 3.18Å; L860-Q864 PolarHBondContact O-N 3.08Å; L860-Y962 HydrophobicContact CD2-CD1 3.97Å
861E89.4Confident90.8Very high42 Ų4269.7 Ų69.720%0.19632%0.318CS..Hα-helixtrans-62-38.8178.2-72.7-178.4-167.500111.4K857 Q864 R865K857-E861 VanDerWaalsContact CE-OE1 3.23Å; K857-E861 WeakPolarHBondContact CE-OE1 3.45Å; K857-E861 HydrophobicContact CG-CG 4.49Å; K857-E861 WeakPolarHBondContact O-CB 3.48Å; K857-E861 VanDerWaalsContact O-CG 3.31Å; K857-E861 WeakPolarHBondContact O-CG 3.42Å; K857-E861 PolarHBondContact O-N 3.21Å; E861-Q864 PolarHBondContact O-N 3.46Å; E861-R865 VanDerWaalsContact O-CG 3.29Å; E861-R865 WeakPolarHBondContact O-CG 3.36Å; E861-R865 PolarHBondContact O-N 2.94Å; E861-R865 IonicContact OE2-CZ 3.22Å; E861-R865 IonicContact OE2-NH1 3.2Å; E861-R865 IonicContact OE2-NH2 2.8Å; E861-R865 PolarHBondContact OE2-NH2 3.18Å
862E90.3Very high90.5Very high62 Ų6264.8 Ų64.829%0.2929%0.293SS..Hα-helixtrans-72.9-38.5178179.753.8-159.600112.5V858 E859 L860 Q864 R865 Q866 R869V858-E862 VanDerWaalsContact O-CB 3.24Å; V858-E862 WeakPolarHBondContact O-CB 3.49Å; V858-E862 PolarHBondContact O-N 3.17Å; E859-E862 PolarHBondContact O-N 3.35Å; L860-E862 VanDerWaalsContact C-N 3.3Å; L860-E862 PolarHBondContact O-N 3.07Å; E862-Q864 VanDerWaalsContact C-N 3.27Å; E862-Q864 PolarHBondContact O-N 2.91Å; E862-R865 CarbonylContact O-C 3.56Å; E862-R865 WeakPolarHBondContact O-CB 3.45Å; E862-R865 PolarHBondContact O-N 3.31Å; E862-R865 VanDerWaalsContact O-N 3.12Å; E862-R865 WeakPolarHBondContact OE2-CD 3.44Å; E862-Q866 VanDerWaalsContact O-CG 3.32Å; E862-Q866 WeakPolarHBondContact O-CG 3.43Å; E862-Q866 PolarHBondContact O-N 3.4Å; E862-Q866 PolarHBondContact OE1-NE2 2.94Å; E862-R869 IonicContact OE1-CZ 2.79Å; E862-R869 IonicContact OE1-NH1 3.58Å; E862-R869 IonicContact OE1-NH2 3.67Å; E862-R869 PolarHBondContact OE1-NH2 3.23Å; E862-R869 IonicContact OE2-NH2 2.89Å; E862-R869 PolarHBondContact OE2-NH2 3.47Å
863L92.8Very high90.1Very high57 Ų5764.6 Ų64.630%0.29830%0.303SS..Hα-helixtrans-58.6-38.8171.9179.363.9000111.6E859 L860 Q866 R867E859-L863 WeakPolarHBondContact O-CB 3.41Å; E859-L863 PolarHBondContact O-N 3.47Å; L860-L863 PolarHBondContact O-N 3.18Å; L863-Q866 PolarHBondContact O-N 3.12Å; L863-R867 PolarHBondContact O-N 3.47Å; L863-R867 PolarHBondContact O-NE 3.46Å
864Q91.5Very high89.7Confident21 Ų2170 Ų7010%0.09833%0.329CS..Hα-helixtrans-69.1-42.5173.1-170-177.5-80.800112.2H648 L860 E861 E862 Q866 R867 R868H648-Q864 PolarHBondContact CD2-NE2 2.86Å; H648-Q864 PolarHBondContact CE1-NE2 3.34Å; H648-Q864 PolarHBondContact ND1-NE2 3.14Å; H648-Q864 PolarHBondContact NE2-NE2 2.87Å; H648-Q864 VanDerWaalsContact NE2-NE2 3.11Å; L860-Q864 PolarHBondContact O-N 3.08Å; E861-Q864 PolarHBondContact O-N 3.46Å; E862-Q864 VanDerWaalsContact C-N 3.27Å; E862-Q864 PolarHBondContact O-N 2.91Å; Q864-Q866 PolarHBondContact O-N 3.13Å; Q864-R867 PolarHBondContact O-N 3.15Å; Q864-R868 PolarHBondContact O-N 2.96Å
865R87.6Confident89.4Confident113 Ų11369.3 Ų69.343%0.42633%0.325SS..Hα-helixtrans-60.2-31.1173.6-69.7169-166.9117.87.2111.9E861 E862 R869E861-R865 VanDerWaalsContact O-CG 3.29Å; E861-R865 WeakPolarHBondContact O-CG 3.36Å; E861-R865 PolarHBondContact O-N 2.94Å; E861-R865 IonicContact OE2-CZ 3.22Å; E861-R865 IonicContact OE2-NH1 3.2Å; E861-R865 IonicContact OE2-NH2 2.8Å; E861-R865 PolarHBondContact OE2-NH2 3.18Å; E862-R865 CarbonylContact O-C 3.56Å; E862-R865 WeakPolarHBondContact O-CB 3.45Å; E862-R865 PolarHBondContact O-N 3.31Å; E862-R865 VanDerWaalsContact O-N 3.12Å; E862-R865 WeakPolarHBondContact OE2-CD 3.44Å; R865-R869 WeakPolarHBondContact O-CG 3.3Å; R865-R869 PolarHBondContact O-N 3.03Å; R865-R869 PolarHBondContact O-NE 3.35Å; R865-R869 PolarHBondContact O-NH2 2.85Å
866Q90.4Very high88.8Confident85 Ų8563.5 Ų63.540%0.39731%0.309SS..Hα-helixtrans-71.3-49.4174.9-71.7174.32000111.3E862 L863 Q864 R868 R869 Q870E862-Q866 VanDerWaalsContact O-CG 3.32Å; E862-Q866 WeakPolarHBondContact O-CG 3.43Å; E862-Q866 PolarHBondContact O-N 3.4Å; E862-Q866 PolarHBondContact OE1-NE2 2.94Å; L863-Q866 PolarHBondContact O-N 3.12Å; Q864-Q866 PolarHBondContact O-N 3.13Å; Q866-R868 VanDerWaalsContact C-N 3.34Å; Q866-R868 PolarHBondContact O-N 3.16Å; Q866-R869 VanDerWaalsContact CG-NH2 3.32Å; Q866-R869 WeakPolarHBondContact O-CA 3.29Å; Q866-R869 WeakPolarHBondContact O-CB 3.48Å; Q866-R869 PolarHBondContact O-N 2.68Å; Q866-Q870 WeakPolarHBondContact O-CG 3.25Å; Q866-Q870 PolarHBondContact O-N 3.36Å
867R89.6Confident88.3Confident63 Ų6365.7 Ų65.724%0.23833%0.327CS..Hα-helixtrans-52.8-47.6173.8-78.9177.3-85.4159.3-13.7112.6L863 Q864 R869 Q870 M871 I961L863-R867 PolarHBondContact O-N 3.47Å; L863-R867 PolarHBondContact O-NE 3.46Å; Q864-R867 PolarHBondContact O-N 3.15Å; R867-R869 VanDerWaalsContact C-N 3.33Å; R867-R869 PolarHBondContact O-N 3.35Å; R867-Q870 PolarHBondContact O-N 3.19Å; R867-M871 PolarHBondContact O-N 3.43Å; R867-I961 PolarHBondContact NH2-O 3.31Å
868R87.5Confident87.6Confident68 Ų6870.4 Ų70.426%0.25735%0.35SS..Hα-helixtrans-61.2-37.3176.4-168.9-179.9179.3-143-4112.7H649 Q864 Q866 A872 V918 D919H649-R868 PolarHBondContact CD2-NE 3.47Å; H649-R868 PolarHBondContact CD2-NH1 3.17Å; H649-R868 VanDerWaalsContact CD2-NH1 3.29Å; H649-R868 PolarHBondContact NE2-NH1 3.14Å; Q864-R868 PolarHBondContact O-N 2.96Å; Q866-R868 VanDerWaalsContact C-N 3.34Å; Q866-R868 PolarHBondContact O-N 3.16Å; R868-A872 VanDerWaalsContact O-CB 3.3Å; R868-A872 WeakPolarHBondContact O-CB 3.39Å; R868-A872 PolarHBondContact O-N 3.49Å; R868-V918 HydrophobicContact CG-CG1 4.36Å; R868-D919 WeakPolarHBondContact CD-OD1 3.4Å; R868-D919 IonicContact CZ-OD1 2.75Å; R868-D919 IonicContact CZ-OD2 3.16Å; R868-D919 VanDerWaalsContact CZ-OD2 3.25Å; R868-D919 IonicContact NE-OD1 2.7Å; R868-D919 PolarHBondContact NE-OD1 2.89Å; R868-D919 IonicContact NE-OD2 3.39Å; R868-D919 PolarHBondContact NE-OD2 3.02Å; R868-D919 IonicContact NH2-OD1 3.66Å; R868-D919 IonicContact NH2-OD2 3.72Å; R868-D919 PolarHBondContact NH2-OD2 3.27Å
869R87.4Confident87.1Confident135 Ų13569.3 Ų69.351%0.50935%0.345SS..Hα-helixtrans-70.3-35.2175.4-83.1174.5-74.1177.9-5.9113.1E862 R865 Q866 R867 A873E862-R869 IonicContact OE1-CZ 2.79Å; E862-R869 IonicContact OE1-NH1 3.58Å; E862-R869 IonicContact OE1-NH2 3.67Å; E862-R869 PolarHBondContact OE1-NH2 3.23Å; E862-R869 IonicContact OE2-NH2 2.89Å; E862-R869 PolarHBondContact OE2-NH2 3.47Å; R865-R869 WeakPolarHBondContact O-CG 3.3Å; R865-R869 PolarHBondContact O-N 3.03Å; R865-R869 PolarHBondContact O-NE 3.35Å; R865-R869 PolarHBondContact O-NH2 2.85Å; Q866-R869 VanDerWaalsContact CG-NH2 3.32Å; Q866-R869 WeakPolarHBondContact O-CA 3.29Å; Q866-R869 WeakPolarHBondContact O-CB 3.48Å; Q866-R869 PolarHBondContact O-N 2.68Å; R867-R869 VanDerWaalsContact C-N 3.33Å; R867-R869 PolarHBondContact O-N 3.35Å; R869-A873 PolarHBondContact O-N 3.06Å
870Q88.2Confident86.2Confident112 Ų11268 Ų6852%0.52334%0.343SS..Hα-helixtrans-65.9-52.1175.7-71.9164-34.700110.4Q866 R867 A872 A873 E874Q866-Q870 WeakPolarHBondContact O-CG 3.25Å; Q866-Q870 PolarHBondContact O-N 3.36Å; R867-Q870 PolarHBondContact O-N 3.19Å; Q870-A872 VanDerWaalsContact C-N 3.26Å; Q870-A872 PolarHBondContact O-N 2.92Å; Q870-A873 WeakPolarHBondContact O-CB 3.31Å; Q870-A873 PolarHBondContact O-N 3.27Å; Q870-E874 WeakPolarHBondContact O-CG 3.49Å; Q870-E874 PolarHBondContact O-N 3.03Å
871M85.9Confident85.3Confident61 Ų6170.5 Ų70.530%0.336%0.364SS..Hα-helixtrans-57-39.1176-163.8-179.6-16500112.3R867 E874 L875 V918 Q921R867-M871 PolarHBondContact O-N 3.43Å; M871-E874 PolarHBondContact O-N 2.94Å; M871-L875 HydrophobicContact CG-CD1 4.13Å; M871-L875 WeakPolarHBondContact O-CB 3.49Å; M871-L875 WeakPolarHBondContact O-CD1 3.48Å; M871-L875 WeakPolarHBondContact O-CG 3.45Å; M871-L875 PolarHBondContact O-N 3.42Å; M871-V918 HydrophobicContact CB-CG1 4.02Å; M871-V918 HydrophobicContact CG-CG1 4.05Å; M871-V918 HydrophobicContact SD-CG1 4.16Å; M871-Q921 HydrophobicContact CE-CB 3.52Å
872A83.9Confident84.3Confident14 Ų1471.4 Ų71.412%0.11638%0.375CS..Hα-helixtrans-62.5-40.617300000113.5R868 Q870 A876 F914 V918R868-A872 VanDerWaalsContact O-CB 3.3Å; R868-A872 WeakPolarHBondContact O-CB 3.39Å; R868-A872 PolarHBondContact O-N 3.49Å; Q870-A872 VanDerWaalsContact C-N 3.26Å; Q870-A872 PolarHBondContact O-N 2.92Å; A872-A876 WeakPolarHBondContact O-CB 3.32Å; A872-A876 PolarHBondContact O-N 2.98Å; A872-A876 VanDerWaalsContact O-N 3.16Å; A872-F914 HydrophobicContact CB-CE1 4.11Å; A872-F914 WeakPolarHBondContact O-CE1 3.46Å; A872-F914 WeakPolarHBondContact O-CZ 3.49Å; A872-V918 HydrophobicContact CB-CG1 4.19Å; A872-V918 HydrophobicContact CB-CG2 3.71Å
873A85.5Confident82.7Confident62 Ų6272.3 Ų72.351%0.51239%0.388SS..Hα-helixtrans-69.9-38.117700000112.1R869 Q870 A876 A877R869-A873 PolarHBondContact O-N 3.06Å; Q870-A873 WeakPolarHBondContact O-CB 3.31Å; Q870-A873 PolarHBondContact O-N 3.27Å; A873-A876 PolarHBondContact O-N 3.44Å; A873-A877 WeakPolarHBondContact O-CB 3.01Å; A873-A877 PolarHBondContact O-N 3.37Å
874E86.4Confident80.8Confident115 Ų11576.7 Ų76.754%0.53740%0.404SS..Hα-helixtrans-65.2-47.4177.3-72167.4-163.300111.9Q870 M871 A876 A877 Q878Q870-E874 WeakPolarHBondContact O-CG 3.49Å; Q870-E874 PolarHBondContact O-N 3.03Å; M871-E874 PolarHBondContact O-N 2.94Å; E874-A876 VanDerWaalsContact C-N 3.31Å; E874-A876 PolarHBondContact O-N 3.15Å; E874-A877 PolarHBondContact O-N 3.38Å; E874-A877 VanDerWaalsContact O-N 3.17Å; E874-Q878 WeakPolarHBondContact O-CG 3.43Å; E874-Q878 PolarHBondContact O-N 3.02Å
875L82.9Confident78.8Confident26 Ų2682.4 Ų82.414%0.13643%0.431CS..Hα-helixtrans-63.9-35.4176.6-72.6162.5000112.2M871 S879 F914 V918 Q921M871-L875 HydrophobicContact CG-CD1 4.13Å; M871-L875 WeakPolarHBondContact O-CB 3.49Å; M871-L875 WeakPolarHBondContact O-CD1 3.48Å; M871-L875 WeakPolarHBondContact O-CG 3.45Å; M871-L875 PolarHBondContact O-N 3.42Å; L875-S879 PolarHBondContact O-N 3.22Å; L875-S879 VanDerWaalsContact O-N 3.17Å; L875-S879 PolarHBondContact O-OG 3.38Å; L875-F914 HydrophobicContact CB-CZ 4.18Å; L875-V918 HydrophobicContact CD1-CB 4.25Å; L875-V918 HydrophobicContact CD1-CG1 4.35Å; L875-V918 HydrophobicContact CD1-CG2 3.9Å; L875-Q921 HydrophobicContact CD1-CB 4.3Å; L875-Q921 HydrophobicContact CD1-CG 3.91Å; L875-Q921 HydrophobicContact CD2-CG 4.14Å
876A80.1Confident76.8Confident30 Ų3083.1 Ų83.125%0.24844%0.443CS..Hα-helixtrans-67.4-40.4172.700000112.1A872 A873 E874 S879 L880 F914A872-A876 WeakPolarHBondContact O-CB 3.32Å; A872-A876 PolarHBondContact O-N 2.98Å; A872-A876 VanDerWaalsContact O-N 3.16Å; A873-A876 PolarHBondContact O-N 3.44Å; E874-A876 VanDerWaalsContact C-N 3.31Å; E874-A876 PolarHBondContact O-N 3.15Å; A876-S879 PolarHBondContact O-OG 3.09Å; A876-L880 WeakPolarHBondContact O-CB 3.38Å; A876-L880 WeakPolarHBondContact O-CD1 3.45Å; A876-L880 WeakPolarHBondContact O-CG 3.28Å; A876-L880 PolarHBondContact O-N 3.09Å; A876-L880 VanDerWaalsContact O-N 3.15Å; A876-F914 HydrophobicContact CB-CE1 4.44Å; A876-F914 HydrophobicContact CB-CZ 3.85Å
877A83.7Confident74.7Confident59 Ų5987.2 Ų87.249%0.48846%0.463SS..Hα-helixtrans-66.7-37.5176.700000112.4A873 E874 L880 A881A873-A877 WeakPolarHBondContact O-CB 3.01Å; A873-A877 PolarHBondContact O-N 3.37Å; E874-A877 PolarHBondContact O-N 3.38Å; E874-A877 VanDerWaalsContact O-N 3.17Å; A877-L880 PolarHBondContact O-N 3.47Å; A877-A881 PolarHBondContact O-N 3.45Å; A877-A881 VanDerWaalsContact O-N 3.09Å
878Q80.1Confident72.5Confident121 Ų12189.8 Ų89.857%0.56549%0.485SS*.Hα-helixtrans-63.8-46.1175.5-71.8171.929.900111.9E874 L880 A881 S882E874-Q878 WeakPolarHBondContact O-CG 3.43Å; E874-Q878 PolarHBondContact O-N 3.02Å; Q878-L880 VanDerWaalsContact C-N 3.33Å; Q878-L880 PolarHBondContact O-N 3.49Å; Q878-A881 WeakPolarHBondContact O-CB 3.29Å; Q878-A881 PolarHBondContact O-N 3.19Å; Q878-S882 PolarHBondContact O-N 3.17Å; Q878-S882 PolarHBondContact O-OG 3.22Å
879S77.6Confident70.3Confident60 Ų6090.7 Ų90.742%0.4250%0.502SS..Hα-helixtrans-65.1-35.9178.265.70000112.8L875 A876 A881 S882 S883L875-S879 PolarHBondContact O-N 3.22Å; L875-S879 VanDerWaalsContact O-N 3.17Å; L875-S879 PolarHBondContact O-OG 3.38Å; A876-S879 PolarHBondContact O-OG 3.09Å; S879-A881 VanDerWaalsContact C-N 3.25Å; S879-A881 PolarHBondContact O-N 3.34Å; S879-S882 PolarHBondContact O-OG 3.49Å; S879-S883 PolarHBondContact O-N 2.89Å; S879-S883 PolarHBondContact O-OG 3.32Å
880L75.6Confident67.9Low119 Ų11991.9 Ų91.962%0.62352%0.519SS*.Hα-helixtrans-68.2-19.2171.7-76.2165.7000114.1A876 A877 Q878A876-L880 WeakPolarHBondContact O-CB 3.38Å; A876-L880 WeakPolarHBondContact O-CD1 3.45Å; A876-L880 WeakPolarHBondContact O-CG 3.28Å; A876-L880 PolarHBondContact O-N 3.09Å; A876-L880 VanDerWaalsContact O-N 3.15Å; A877-L880 PolarHBondContact O-N 3.47Å; Q878-L880 VanDerWaalsContact C-N 3.33Å; Q878-L880 PolarHBondContact O-N 3.49Å
881A75.6Confident65.5Low55 Ų5592.8 Ų92.846%0.45553%0.532SS..Hα-helixtrans-86.1-43.9175.700000111.7A877 Q878 S879 S883 K884A877-A881 PolarHBondContact O-N 3.45Å; A877-A881 VanDerWaalsContact O-N 3.09Å; Q878-A881 WeakPolarHBondContact O-CB 3.29Å; Q878-A881 PolarHBondContact O-N 3.19Å; S879-A881 VanDerWaalsContact C-N 3.25Å; S879-A881 PolarHBondContact O-N 3.34Å; A881-S883 PolarHBondContact O-N 3.2Å; A881-K884 PolarHBondContact O-N 2.7Å; A881-K884 VanDerWaalsContact O-N 3.16Å
882S67.2Low63.4Low62 Ų6298.7 Ų98.743%0.43456%0.558SS.*Hα-helixtrans-59.4-45.5177.345.50000112Q878 S879 K884 Q885Q878-S882 PolarHBondContact O-N 3.17Å; Q878-S882 PolarHBondContact O-OG 3.22Å; S879-S882 PolarHBondContact O-OG 3.49Å; S882-K884 PolarHBondContact O-N 2.74Å; S882-Q885 PolarHBondContact O-N 2.73Å
883S57Low61.3Low80 Ų80104 Ų10456%0.55959%0.594SS**THydrogen-bonded Turntrans-65.2-4.5179.4-59.20000115S879 A881S879-S883 PolarHBondContact O-N 2.89Å; S879-S883 PolarHBondContact O-OG 3.32Å; A881-S883 PolarHBondContact O-N 3.2Å
884K53.2Low58.9Low149 Ų149110.9 Ų110.965%0.64861%0.613SS**THydrogen-bonded Turntrans-101.3-8.6174.5-72.3-176.8176.5-177.30114.2A881 S882A881-K884 PolarHBondContact O-N 2.7Å; A881-K884 VanDerWaalsContact O-N 3.16Å; S882-K884 PolarHBondContact O-N 2.74Å
885Q48.4Very low56.7Low141 Ų141110.5 Ų110.566%0.65962%0.623SS**THydrogen-bonded Turntrans-86.9-41.1176.4-66.7-171.6-43.700110.8S882 E887 T888S882-Q885 PolarHBondContact O-N 2.73Å; Q885-E887 VanDerWaalsContact C-N 3.27Å; Q885-E887 PolarHBondContact O-N 3.03Å; Q885-T888 PolarHBondContact O-N 2.91Å; Q885-T888 PolarHBondContact O-OG1 3.16Å
886D47.3Very low54.4Low128 Ų128116.7 Ų116.768%0.68466%0.656SS**G310 helixtrans-62-28.6179.9-61.2-30.4000113.7T888D886-T888 PolarHBondContact O-N 2.79Å
887E44.9Very low52.3Low172 Ų172121.3 Ų121.380%0.80469%0.687SS**G310 helixtrans-70.7-5.9174.7-70.3-165.4140.600114.1Q885Q885-E887 VanDerWaalsContact C-N 3.27Å; Q885-E887 PolarHBondContact O-N 3.03Å
888T44.5Very low50Low117 Ų117123.9 Ų123.972%0.71870%0.701SS**G310 helixtrans-105.50.4-173.765.90000115.1Q885 D886Q885-T888 PolarHBondContact O-N 2.91Å; Q885-T888 PolarHBondContact O-OG1 3.16Å; D886-T888 PolarHBondContact O-N 2.79Å
889S41.3Very low47.8Very low86 Ų86124.5 Ų124.560%0.60171%0.713SS**SBendtrans-134.260.6-173.964.10000114.4
890D37.4Very low45.6Very low161 Ų161127.1 Ų127.186%0.86173%0.731SS**  trans-152.988.9156.3-125.2-22.8000114
891T36.8Very low43.5Very low131 Ų131130 Ų13080%0.80474%0.741SS**  trans-128.584.317057.60000110.7
892H41.7Very low41.3Very low184 Ų184136.2 Ų136.285%0.85276%0.761SS**  trans171.8101.8139.4-92.3-61.1000113.2
893S39.8Very low39.5Very low125 Ų125145 Ų14587%0.87479%0.787SS**  173.9162.1126.149.40000111.7
894K35.2Very low38.2Very low207 Ų207147.9 Ų147.990%0.980%0.795SS**  trans-133.5126.8172.8-73.9-178.6175.8-178.70109.3
895S39.6Very low37.1Very low107 Ų107146.2 Ų146.275%0.74880%0.803SS**  trans-175.7115.3141.851.30000112.1
896D36.2Very low36.4Very low156 Ų156148.2 Ų148.283%0.83481%0.812SS**  trans27.9118.5139.6-48.7-19.7000120.5
897S36.1Very low35.7Very low127 Ų127147.4 Ų147.489%0.88882%0.816SS**  152.7162.5106.160.60000113.2
898S35.4Very low35.5Very low113 Ų113144.5 Ų144.579%0.7982%0.815SS**  trans-82.5134.4-161.554.60000116
899V32.4Very low35.4Very low134 Ų134143.6 Ų143.681%0.81281%0.811SS**  trans-136.2146.5137.8-1790000108.5
900S31.4Very low35.7Very low115 Ų115142.1 Ų142.180%0.80480%0.801SS**  trans-87.9121.8177.255.10000111.9
901E32.1Very low36.6Very low179 Ų179140 Ų14084%0.83679%0.793SS**  trans-122.6171.4171.4-67.6-154.7138.100113.1
902Q29.7Very low37.4Very low187 Ų187136.7 Ų136.787%0.87478%0.775SS**  trans-93.9131.9-152.8-64165.8-6.800112.9N904Q902-N904 PolarHBondContact O-N 3.17Å
903Y29.1Very low38.4Very low247 Ų247131.8 Ų131.897%0.96976%0.756SS**  trans-65.3100.5165.7-87.6-94.5000110.2
904N29.8Very low39.9Very low139 Ų139128.6 Ų128.674%0.74373%0.726SS**  trans-105.8112.4170.4-16912.3000109.6Q902 Q906Q902-N904 PolarHBondContact O-N 3.17Å; N904-Q906 PolarHBondContact O-N 3.48Å; N904-Q906 VanDerWaalsContact O-N 3.15Å
905S30.3Very low41.6Very low114 Ų114121.5 Ų121.580%0.79770%0.698SS**  trans-79.795.6-173.156.60000112S907S905-S907 PolarHBondContact O-N 3.06Å
906Q32.5Very low43Very low184 Ų184120.8 Ų120.886%0.8669%0.685SS**  trans-77.8115.1166.2-70.3-171.4-7.200110.2N904N904-Q906 PolarHBondContact O-N 3.48Å; N904-Q906 VanDerWaalsContact O-N 3.15Å
907S33.3Very low44.8Very low111 Ų111117.1 Ų117.178%0.77667%0.665SS**PPolyproline II helixtrans-75.1141.9173.953.70000111.4S905S905-S907 PolarHBondContact O-N 3.06Å
908S40Very low46.8Very low110 Ų110111.1 Ų111.177%0.76962%0.623SS**PPolyproline II helixtrans-52143.9169.8-46.40000111.5S910S908-S910 PolarHBondContact O-N 3.19Å
909P42.8Very low48.6Very low98 Ų98106.7 Ų106.764%0.63659%0.59SS**PPolyproline II helixtrans-61.3138.7178.525.8-34.2000110.9
910S47.7Very low50.7Low55 Ų55104.3 Ų104.339%0.38558%0.58SS.*PPolyproline II helixtrans-69.1156.5173.849.90000111.4S908 S912 N913 F914S908-S910 PolarHBondContact O-N 3.19Å; S910-S912 PolarHBondContact O-N 3.44Å; S910-S912 PolarHBondContact OG-OG 3.03Å; S910-N913 PolarHBondContact O-N 3.3Å; S910-N913 VanDerWaalsContact O-N 3.07Å; S910-N913 VanDerWaalsContact OG-CG 3.25Å; S910-N913 PolarHBondContact OG-OD1 3.42Å; S910-F914 PolarHBondContact O-N 3.15Å; S910-F914 VanDerWaalsContact O-N 3.12Å
911V56.3Low52.9Low116 Ų116103.3 Ų103.370%0.70356%0.562SS**Hα-helixtrans-59.6-27.8178.1-177.50000112.1L915V911-L915 HydrophobicContact CG1-CD1 4.36Å; V911-L915 WeakPolarHBondContact O-CG 3.46Å; V911-L915 PolarHBondContact O-N 2.98Å
912S53.3Low55.3Low62 Ų6297.3 Ų97.343%0.43453%0.534SS..Hα-helixtrans-58.5-60.4169.5540000111S910 F914 L915 D916S910-S912 PolarHBondContact O-N 3.44Å; S910-S912 PolarHBondContact OG-OG 3.03Å; S912-F914 PolarHBondContact O-N 3.42Å; S912-F914 VanDerWaalsContact O-N 3.15Å; S912-L915 WeakPolarHBondContact O-CA 3.44Å; S912-L915 WeakPolarHBondContact O-CB 3.33Å; S912-L915 PolarHBondContact O-N 3.47Å; S912-D916 PolarHBondContact O-N 3.39Å; S912-D916 VanDerWaalsContact O-OD2 3.13Å
913N62.3Low58.1Low82 Ų8296.5 Ų96.544%0.43953%0.528SS..Hα-helixtrans-62.1-31.7-173.3-61.224.7000111.5S910 D916 I917S910-N913 PolarHBondContact O-N 3.3Å; S910-N913 VanDerWaalsContact O-N 3.07Å; S910-N913 VanDerWaalsContact OG-CG 3.25Å; S910-N913 PolarHBondContact OG-OD1 3.42Å; N913-D916 WeakPolarHBondContact CA-OD2 3.48Å; N913-I917 WeakPolarHBondContact O-CD1 3.49Å; N913-I917 VanDerWaalsContact O-CG1 3.25Å; N913-I917 WeakPolarHBondContact O-CG1 3.4Å; N913-I917 PolarHBondContact O-N 3.03Å; N913-I917 VanDerWaalsContact O-N 3.09Å
914F72.4Confident61.2Low58 Ų5886 Ų8625%0.25449%0.49SS..Hα-helixtrans-67.6-44172.7-173.5-102.9000112.4A872 L875 A876 S910 S912 D916 I917 V918A872-F914 HydrophobicContact CB-CE1 4.11Å; A872-F914 WeakPolarHBondContact O-CE1 3.46Å; A872-F914 WeakPolarHBondContact O-CZ 3.49Å; L875-F914 HydrophobicContact CB-CZ 4.18Å; A876-F914 HydrophobicContact CB-CE1 4.44Å; A876-F914 HydrophobicContact CB-CZ 3.85Å; S910-F914 PolarHBondContact O-N 3.15Å; S910-F914 VanDerWaalsContact O-N 3.12Å; S912-F914 PolarHBondContact O-N 3.42Å; S912-F914 VanDerWaalsContact O-N 3.15Å; F914-D916 VanDerWaalsContact C-N 3.33Å; F914-D916 PolarHBondContact O-N 3.17Å; F914-I917 WeakPolarHBondContact O-CB 3.33Å; F914-I917 PolarHBondContact O-N 3.05Å; F914-V918 HydrophobicContact CD1-CG2 4.25Å; F914-V918 HydrophobicContact CE1-CG2 3.89Å; F914-V918 HydrophobicContact CZ-CG2 4.23Å; F914-V918 WeakPolarHBondContact O-CG2 3.38Å; F914-V918 PolarHBondContact O-N 3.32Å
915L70.8Confident64.3Low58 Ų5881.8 Ų81.830%0.30447%0.467SS..Hα-helixtrans-65.8-35.9175.9-75.6173.3000112.5V911 S912 I917 V918 D919V911-L915 HydrophobicContact CG1-CD1 4.36Å; V911-L915 WeakPolarHBondContact O-CG 3.46Å; V911-L915 PolarHBondContact O-N 2.98Å; S912-L915 WeakPolarHBondContact O-CA 3.44Å; S912-L915 WeakPolarHBondContact O-CB 3.33Å; S912-L915 PolarHBondContact O-N 3.47Å; L915-I917 VanDerWaalsContact C-N 3.31Å; L915-I917 PolarHBondContact O-N 3.38Å; L915-V918 WeakPolarHBondContact O-CB 3.47Å; L915-V918 PolarHBondContact O-N 3.19Å; L915-V918 VanDerWaalsContact O-N 3.15Å; L915-D919 PolarHBondContact O-N 3.34Å
916D69.6Low67.5Low91 Ų9176.4 Ų76.449%0.48743%0.43SS..Hα-helixtrans-63.3-38173.9-53.9-35.6000111S912 N913 F914 D919 S920S912-D916 PolarHBondContact O-N 3.39Å; S912-D916 VanDerWaalsContact O-OD2 3.13Å; N913-D916 WeakPolarHBondContact CA-OD2 3.48Å; F914-D916 VanDerWaalsContact C-N 3.33Å; F914-D916 PolarHBondContact O-N 3.17Å; D916-D919 PolarHBondContact O-N 2.92Å; D916-S920 WeakPolarHBondContact O-CB 3.09Å; D916-S920 PolarHBondContact O-N 2.9Å
917I73.9Confident70.6Confident80 Ų8068 Ų6841%0.4139%0.39SS..Hα-helixtrans-62.6-43.6171.2-70162.7000111N913 F914 L915 D919 S920 Q921N913-I917 WeakPolarHBondContact O-CD1 3.49Å; N913-I917 VanDerWaalsContact O-CG1 3.25Å; N913-I917 WeakPolarHBondContact O-CG1 3.4Å; N913-I917 PolarHBondContact O-N 3.03Å; N913-I917 VanDerWaalsContact O-N 3.09Å; F914-I917 WeakPolarHBondContact O-CB 3.33Å; F914-I917 PolarHBondContact O-N 3.05Å; L915-I917 VanDerWaalsContact C-N 3.31Å; L915-I917 PolarHBondContact O-N 3.38Å; I917-D919 PolarHBondContact O-N 3.09Å; I917-S920 WeakPolarHBondContact CA-OG 3.39Å; I917-S920 PolarHBondContact O-N 2.99Å; I917-S920 PolarHBondContact O-OG 3.5Å; I917-Q921 VanDerWaalsContact O-CG 3.31Å; I917-Q921 WeakPolarHBondContact O-CG 3.4Å; I917-Q921 PolarHBondContact O-N 3.37Å
918V76.6Confident73.5Confident1 Ų165.5 Ų65.51%0.00637%0.37CS..Hα-helixtrans-59.6-45.6178.6176.50000111.2R868 M871 A872 L875 F914 L915 Q921R868-V918 HydrophobicContact CG-CG1 4.36Å; M871-V918 HydrophobicContact CB-CG1 4.02Å; M871-V918 HydrophobicContact CG-CG1 4.05Å; M871-V918 HydrophobicContact SD-CG1 4.16Å; A872-V918 HydrophobicContact CB-CG1 4.19Å; A872-V918 HydrophobicContact CB-CG2 3.71Å; L875-V918 HydrophobicContact CD1-CB 4.25Å; L875-V918 HydrophobicContact CD1-CG1 4.35Å; L875-V918 HydrophobicContact CD1-CG2 3.9Å; F914-V918 HydrophobicContact CD1-CG2 4.25Å; F914-V918 HydrophobicContact CE1-CG2 3.89Å; F914-V918 HydrophobicContact CZ-CG2 4.23Å; F914-V918 WeakPolarHBondContact O-CG2 3.38Å; F914-V918 PolarHBondContact O-N 3.32Å; L915-V918 WeakPolarHBondContact O-CB 3.47Å; L915-V918 PolarHBondContact O-N 3.19Å; L915-V918 VanDerWaalsContact O-N 3.15Å; V918-Q921 PolarHBondContact O-N 3.42Å
919D75.1Confident76Confident19 Ų1965.5 Ų65.510%0.10236%0.356CS..Hα-helixtrans-68.5-35.3179.3-61-37.2000111.9H649 R868 L915 D916 I917 Q921 H922H649-D919 HydrophobicContact CB-CB 4.5Å; H649-D919 VanDerWaalsContact CB-OD2 3.29Å; H649-D919 WeakPolarHBondContact CB-OD2 3.45Å; H649-D919 IonicContact CD2-OD1 3.74Å; H649-D919 IonicContact CD2-OD2 2.73Å; H649-D919 PolarHBondContact CD2-OD2 3Å; H649-D919 IonicContact CG-OD2 2.74Å; R868-D919 WeakPolarHBondContact CD-OD1 3.4Å; R868-D919 IonicContact CZ-OD1 2.75Å; R868-D919 IonicContact CZ-OD2 3.16Å; R868-D919 VanDerWaalsContact CZ-OD2 3.25Å; R868-D919 IonicContact NE-OD1 2.7Å; R868-D919 PolarHBondContact NE-OD1 2.89Å; R868-D919 IonicContact NE-OD2 3.39Å; R868-D919 PolarHBondContact NE-OD2 3.02Å; R868-D919 IonicContact NH2-OD1 3.66Å; R868-D919 IonicContact NH2-OD2 3.72Å; R868-D919 PolarHBondContact NH2-OD2 3.27Å; L915-D919 PolarHBondContact O-N 3.34Å; D916-D919 PolarHBondContact O-N 2.92Å; I917-D919 PolarHBondContact O-N 3.09Å; D919-Q921 PolarHBondContact O-N 2.99Å; D919-H922 PolarHBondContact O-N 2.66Å
920S75.4Confident78.4Confident85 Ų8565.3 Ų65.359%0.59435%0.347SS*.Hα-helixtrans-65.8-15.1176.778.40000114.8D916 I917D916-S920 WeakPolarHBondContact O-CB 3.09Å; D916-S920 PolarHBondContact O-N 2.9Å; I917-S920 WeakPolarHBondContact CA-OG 3.39Å; I917-S920 PolarHBondContact O-N 2.99Å; I917-S920 PolarHBondContact O-OG 3.5Å
921Q77.3Confident80.6Confident93 Ų9368.6 Ų68.644%0.43535%0.354SS..THydrogen-bonded Turntrans-85.2-11.5178.8-70.2-81.80.100112.7M871 L875 I917 V918 D919 K923M871-Q921 HydrophobicContact CE-CB 3.52Å; L875-Q921 HydrophobicContact CD1-CB 4.3Å; L875-Q921 HydrophobicContact CD1-CG 3.91Å; L875-Q921 HydrophobicContact CD2-CG 4.14Å; I917-Q921 VanDerWaalsContact O-CG 3.31Å; I917-Q921 WeakPolarHBondContact O-CG 3.4Å; I917-Q921 PolarHBondContact O-N 3.37Å; V918-Q921 PolarHBondContact O-N 3.42Å; D919-Q921 PolarHBondContact O-N 2.99Å; Q921-K923 PolarHBondContact O-N 3.49Å
922H83.1Confident82.1Confident53 Ų5364 Ų6425%0.24533%0.326CS..  trans-68.9127.9171.117872.5000110.2L625 D919L625-H922 HydrophobicContact CD2-CB 4.12Å; D919-H922 PolarHBondContact O-N 2.66Å
923K89.1Confident83.9Confident170 Ų17069 Ų6974%0.73934%0.342SS*.  trans-110.1122.4172.4-63.7-178.9-176.3178.50107.9Q921Q921-K923 PolarHBondContact O-N 3.49Å
924P93Very high85.1Confident26 Ų2669.7 Ų69.717%0.16934%0.342CS..  trans-56148.8171.7-2636.2000111.4E644 V646 F927 Y940E644-P924 WeakPolarHBondContact OE1-CA 3.36Å; V646-P924 HydrophobicContact CB-CB 4.29Å; V646-P924 HydrophobicContact CB-CG 3.57Å; V646-P924 HydrophobicContact CG1-CB 3.84Å; V646-P924 HydrophobicContact CG1-CG 3.63Å; P924-F927 HydrophobicContact CB-CB 4.32Å; P924-Y940 HydrophobicContact CG-CD1 4.46Å; P924-Y940 HydrophobicContact CG-CE1 3.99Å
925L95.3Very high85.8Confident52 Ų5268.1 Ų68.127%0.27234%0.337SS..SBendtrans-84-31.4-173.2-170.559.4000112E644 M957E644-L925 PolarHBondContact OE1-N 2.83Å; E644-L925 PolarHBondContact OE2-N 2.91Å; L925-M957 HydrophobicContact CD1-CB 4.49Å; L925-M957 HydrophobicContact CD1-CE 3.42Å; L925-M957 VanDerWaalsContact CD1-CE 3.42Å; L925-M957 HydrophobicContact CD1-CG 4.47Å; L925-M957 HydrophobicContact CD2-CE 4.41Å; L925-M957 HydrophobicContact CD2-CG 4.35Å; L925-M957 WeakPolarHBondContact CD2-O 3.43Å; L925-M957 HydrophobicContact CG-CE 3.78Å
926W97Very high86.7Confident1 Ų170.5 Ų70.50%0.00435%0.35CS..SBendtrans-119.1-8.7-170.4-49.8108000114.1F642 E644 T943 K945 Y946 H949 W955 M957F642-W926 HydrophobicContact CD1-CB 4.37Å; F642-W926 HydrophobicContact CE1-CB 3.55Å; F642-W926 AromaticContact CE1-CD1 3.63Å; F642-W926 AromaticContact CE1-CG 3.67Å; F642-W926 HydrophobicContact CE1-CG 3.67Å; F642-W926 HydrophobicContact CZ-CB 4.2Å; F642-W926 AromaticContact CZ-CD1 3.42Å; F642-W926 VanDerWaalsContact CZ-CD1 3.42Å; F642-W926 AromaticContact CZ-CG 3.79Å; F642-W926 HydrophobicContact CZ-CG 3.79Å; F642-W926 AromaticContact CZ-NE1 3.92Å; E644-W926 WeakPolarHBondContact OE2-CB 3.38Å; E644-W926 PolarHBondContact OE2-N 3.34Å; W926-T943 WeakPolarHBondContact O-CB 3.5Å; W926-T943 WeakPolarHBondContact O-CG2 3.47Å; W926-T943 PolarHBondContact O-N 2.88Å; W926-T943 PolarHBondContact O-OG1 2.94Å; W926-K945 HydrophobicContact CE3-CB 4.24Å; W926-K945 HydrophobicContact CZ3-CB 4.27Å; W926-Y946 AromaticContact CD2-CD2 3.92Å; W926-Y946 HydrophobicContact CD2-CD2 3.92Å; W926-Y946 HydrophobicContact CD2-CG 4.47Å; W926-Y946 AromaticContact CE2-CD2 3.76Å; W926-Y946 HydrophobicContact CE3-CD2 4.24Å; W926-Y946 HydrophobicContact CG-CD2 4.42Å; W926-Y946 HydrophobicContact CH2-CD2 4.26Å; W926-Y946 AromaticContact CZ2-CD2 3.94Å; W926-Y946 HydrophobicContact CZ2-CD2 3.94Å; W926-Y946 HydrophobicContact CZ3-CD2 4.4Å; W926-H949 HydrophobicContact CH2-CB 4.12Å; W926-H949 HydrophobicContact CZ3-CB 4.26Å; W926-W955 HydrophobicContact CH2-CE3 4.48Å; W926-W955 HydrophobicContact CH2-CZ3 4.21Å; W926-W955 HydrophobicContact CZ2-CZ3 4.32Å; W926-M957 HydrophobicContact CE3-CE 4.42Å; W926-M957 HydrophobicContact CH2-CE 3.94Å; W926-M957 HydrophobicContact CH2-CG 4.05Å; W926-M957 HydrophobicContact CH2-SD 3.8Å; W926-M957 HydrophobicContact CZ3-CE 3.82Å; W926-M957 HydrophobicContact CZ3-SD 4.02Å
927F97.2Very high87.7Confident8 Ų870 Ų704%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-121.9132.8179.6-68.9-98.3000112.7F642 E644 V646 A654 H656 P924 Y940 I941 F942F642-F927 AromaticContact CD1-CE2 3.75Å; F642-F927 HydrophobicContact CD1-CE2 3.75Å; F642-F927 HydrophobicContact CD1-CZ 4.12Å; F642-F927 HydrophobicContact CE1-CD2 4.5Å; F642-F927 AromaticContact CE1-CE2 3.76Å; F642-F927 HydrophobicContact CE1-CE2 3.76Å; E644-F927 HydrophobicContact CB-CD2 3.74Å; E644-F927 HydrophobicContact CB-CE2 3.68Å; V646-F927 HydrophobicContact CG1-CB 4.46Å; V646-F927 HydrophobicContact CG1-CD2 4.48Å; A654-F927 HydrophobicContact CB-CB 4.49Å; A654-F927 HydrophobicContact CB-CD1 3.61Å; A654-F927 HydrophobicContact CB-CD2 4.03Å; A654-F927 HydrophobicContact CB-CE1 3.67Å; A654-F927 HydrophobicContact CB-CE2 4.09Å; A654-F927 HydrophobicContact CB-CG 3.8Å; A654-F927 HydrophobicContact CB-CZ 3.92Å; H656-F927 HydrophobicContact CB-CE1 4.12Å; H656-F927 HydrophobicContact CB-CZ 4.36Å; P924-F927 HydrophobicContact CB-CB 4.32Å; F927-Y940 HydrophobicContact CB-CD1 4.22Å; F927-I941 CarbonylContact C-O 3.54Å; F927-I941 WeakPolarHBondContact CA-O 3.38Å; F927-F942 HydrophobicContact CD1-CB 4.06Å; F927-F942 HydrophobicContact CE1-CB 3.77Å; F927-F942 HydrophobicContact CE1-CD2 4.39Å; F927-F942 HydrophobicContact CE2-CD2 4.44Å; F927-F942 HydrophobicContact CZ-CB 4.38Å; F927-F942 HydrophobicContact CZ-CD2 4.22Å
928T95.5Very high88.4Confident57 Ų5771.9 Ų71.935%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-90.8151.7167.337.30000110.6E930 Y940 I941 T943T928-E930 WeakPolarHBondContact CB-OE1 3.38Å; T928-E930 PolarHBondContact OG1-OE1 3.4Å; T928-Y940 CarbonylContact O-C 3.42Å; T928-Y940 WeakPolarHBondContact O-CA 3.29Å; T928-I941 PolarHBondContact N-O 3.48Å; T928-I941 PolarHBondContact O-N 3.27Å; T928-I941 PolarHBondContact OG1-O 3.35Å; T928-T943 HydrophobicContact CG2-CG2 3.83Å
929K92.8Very high89.2Confident110 Ų11072 Ų7248%0.47835%0.351SS..EExtended strand (participates in β ladder)trans-100.5120.2174.1-152.4-171.1-164.4-164.20109.6E938 T939 Y940K929-E938 HydrophobicContact CD-CB 4.31Å; K929-E938 VanDerWaalsContact CE-OE2 3.3Å; K929-E938 WeakPolarHBondContact CE-OE2 3.26Å; K929-E938 HydrophobicContact CG-CB 4.36Å; K929-E938 IonicContact NZ-OE2 3.25Å; K929-E938 PolarHBondContact NZ-OE2 3.33Å; K929-T939 WeakPolarHBondContact CA-O 3.47Å; K929-Y940 HydrophobicContact CB-CD1 4.33Å; K929-Y940 HydrophobicContact CB-CE1 4.13Å; K929-Y940 HydrophobicContact CD-CE1 4.33Å; K929-Y940 HydrophobicContact CG-CD1 4.25Å; K929-Y940 HydrophobicContact CG-CE1 3.98Å
930E93.6Very high90.2Very high95 Ų9572.9 Ų72.944%0.44435%0.354SS..EExtended strand (participates in β ladder)trans-137.4160.1-169.9-65.6176.8-145.400110.8T928 E938 T939 I941T928-E930 WeakPolarHBondContact CB-OE1 3.38Å; T928-E930 PolarHBondContact OG1-OE1 3.4Å; E930-E938 CarbonylContact O-C 3.58Å; E930-E938 WeakPolarHBondContact O-CA 3.46Å; E930-T939 PolarHBondContact N-O 3.49Å; E930-T939 PolarHBondContact O-N 3.06Å; E930-I941 HydrophobicContact CB-CG1 3.92Å; E930-I941 HydrophobicContact CG-CG1 4.28Å
931F92.6Very high91.2Very high123 Ų12371.1 Ų71.154%0.53934%0.337SS..EExtended strand (participates in β ladder)trans-97.6112.8-176.3-171.3-90.5000111.1N936 E938F931-N936 HydrophobicContact CE1-CB 4.34Å; F931-N936 VanDerWaalsContact CZ-C 3.42Å; F931-N936 VanDerWaalsContact CZ-CA 3.47Å; F931-N936 HydrophobicContact CZ-CB 3.89Å; F931-E938 HydrophobicContact CD2-CG 4.46Å
932D88.8Confident92.2Very high19 Ų1967.8 Ų67.810%0.10232%0.321CS..EExtended strand (participates in β ladder)trans-75.5125.5178.2172.260.6000111.5H688 H697 F934 T935 N936 K937 T939H688-D932 IonicContact CE1-OD2 3.68Å; H688-D932 PolarHBondContact CE1-OD2 2.95Å; H697-D932 IonicContact CE1-OD1 2.73Å; D932-F934 VanDerWaalsContact C-N 3.34Å; D932-F934 PolarHBondContact O-N 2.95Å; D932-F934 PolarHBondContact OD2-N 3.16Å; D932-T935 VanDerWaalsContact OD2-CB 3.23Å; D932-T935 WeakPolarHBondContact OD2-CB 3.41Å; D932-T935 VanDerWaalsContact OD2-CG2 3.25Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.42Å; D932-T935 PolarHBondContact OD2-N 3.46Å; D932-T935 PolarHBondContact OD2-OG1 3.01Å; D932-N936 WeakPolarHBondContact O-CA 3.4Å; D932-N936 PolarHBondContact O-N 3.24Å; D932-K937 PolarHBondContact N-O 2.92Å; D932-T939 HydrophobicContact CB-CG2 4Å
933Q89.8Confident92.8Very high167 Ų16767.4 Ų67.478%0.7832%0.322SS*.THydrogen-bonded Turntrans-73.4-25.8-171.4-58.8-176.525.300113N936Q933-N936 PolarHBondContact O-ND2 2.72Å
934F88Confident93Very high98 Ų9860.6 Ų60.643%0.4330%0.301SS..THydrogen-bonded Turntrans-81.1-49.8-178.8-64.1-73000111.7H697 H728 D932 N936H697-F934 AromaticContact CE1-CD2 3.7Å; H697-F934 AromaticContact ND1-CD2 3.21Å; H697-F934 WeakPolarHBondContact ND1-CD2 3.48Å; H697-F934 AromaticContact ND1-CE2 3.24Å; H697-F934 WeakPolarHBondContact ND1-CE2 3.4Å; H728-F934 HydrophobicContact CB-CD1 3.4Å; H728-F934 VanDerWaalsContact CB-CD1 3.4Å; H728-F934 HydrophobicContact CB-CE1 3.61Å; H728-F934 HydrophobicContact CB-CG 4.02Å; H728-F934 HydrophobicContact CB-CZ 4.37Å; H728-F934 AromaticContact CG-CD1 3.61Å; H728-F934 AromaticContact CG-CG 3.83Å; H728-F934 AromaticContact ND1-CD1 3.99Å; D932-F934 VanDerWaalsContact C-N 3.34Å; D932-F934 PolarHBondContact O-N 2.95Å; D932-F934 PolarHBondContact OD2-N 3.16Å; F934-N936 PolarHBondContact O-ND2 3.21Å
935T88.3Confident93Very high24 Ų2464.3 Ų64.315%0.14731%0.314CS..THydrogen-bonded Turntrans-87.8-13.5-176.565.60000113.7T686 T699 D932 K937T686-T935 HydrophobicContact CG2-CG2 3.95Å; T699-T935 HydrophobicContact CG2-CG2 4.05Å; D932-T935 VanDerWaalsContact OD2-CB 3.23Å; D932-T935 WeakPolarHBondContact OD2-CB 3.41Å; D932-T935 VanDerWaalsContact OD2-CG2 3.25Å; D932-T935 WeakPolarHBondContact OD2-CG2 3.42Å; D932-T935 PolarHBondContact OD2-N 3.46Å; D932-T935 PolarHBondContact OD2-OG1 3.01Å; T935-K937 VanDerWaalsContact C-N 3.32Å; T935-K937 PolarHBondContact O-N 3.03Å
936N89.4Confident93.1Very high109 Ų10961.8 Ų61.858%0.58330%0.301SS*.THydrogen-bonded Turntrans57.741.7-177.6-67.8-100.9000112.7F931 D932 Q933 F934F931-N936 HydrophobicContact CE1-CB 4.34Å; F931-N936 VanDerWaalsContact CZ-C 3.42Å; F931-N936 VanDerWaalsContact CZ-CA 3.47Å; F931-N936 HydrophobicContact CZ-CB 3.89Å; D932-N936 WeakPolarHBondContact O-CA 3.4Å; D932-N936 PolarHBondContact O-N 3.24Å; Q933-N936 PolarHBondContact O-ND2 2.72Å; F934-N936 PolarHBondContact O-ND2 3.21Å
937K89.3Confident93Very high79 Ų7963 Ų6334%0.34331%0.306SS..EExtended strand (participates in β ladder)trans-130.2154.9-179.2-68174.6-175.5177.70110.6H701 D932 T935H701-K937 PolarHBondContact NE2-NZ 2.86Å; D932-K937 PolarHBondContact N-O 2.92Å; T935-K937 VanDerWaalsContact C-N 3.32Å; T935-K937 PolarHBondContact O-N 3.03Å
938E90.2Very high92.8Very high120 Ų12068.2 Ų68.256%0.56133%0.33SS*.EExtended strand (participates in β ladder)trans-72.8132.6163.2-61.5-178.3154.400109.6K929 E930 F931K929-E938 HydrophobicContact CD-CB 4.31Å; K929-E938 VanDerWaalsContact CE-OE2 3.3Å; K929-E938 WeakPolarHBondContact CE-OE2 3.26Å; K929-E938 HydrophobicContact CG-CB 4.36Å; K929-E938 IonicContact NZ-OE2 3.25Å; K929-E938 PolarHBondContact NZ-OE2 3.33Å; E930-E938 CarbonylContact O-C 3.58Å; E930-E938 WeakPolarHBondContact O-CA 3.46Å; F931-E938 HydrophobicContact CD2-CG 4.46Å
939T93.2Very high92.8Very high4 Ų467.1 Ų67.13%0.02532%0.321CS..EExtended strand (participates in β ladder)trans-130.7167.4176.6-1710000110K929 E930 D932 I941K929-T939 WeakPolarHBondContact CA-O 3.47Å; E930-T939 PolarHBondContact N-O 3.49Å; E930-T939 PolarHBondContact O-N 3.06Å; D932-T939 HydrophobicContact CB-CG2 4Å; T939-I941 HydrophobicContact CG2-CD1 3.77Å; T939-I941 HydrophobicContact CG2-CG1 4.26Å
940Y95.2Very high92.9Very high38 Ų3863.7 Ų63.715%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-101.4119.1175.5-72.5-84.9000110.1V646 A654 D667 P924 F927 T928 K929V646-Y940 HydrophobicContact CB-CD1 4.3Å; V646-Y940 HydrophobicContact CB-CE1 3.97Å; V646-Y940 HydrophobicContact CB-CE2 4.48Å; V646-Y940 HydrophobicContact CG1-CD1 4.14Å; V646-Y940 HydrophobicContact CG1-CE1 4.29Å; V646-Y940 HydrophobicContact CG1-CG 4.46Å; V646-Y940 HydrophobicContact CG2-CD1 4.39Å; V646-Y940 HydrophobicContact CG2-CD2 4.02Å; V646-Y940 HydrophobicContact CG2-CE1 4.1Å; V646-Y940 HydrophobicContact CG2-CE2 3.71Å; V646-Y940 HydrophobicContact CG2-CG 4.35Å; A654-Y940 HydrophobicContact CB-CG 4.05Å; D667-Y940 HydrophobicContact CB-CD2 4.14Å; P924-Y940 HydrophobicContact CG-CD1 4.46Å; P924-Y940 HydrophobicContact CG-CE1 3.99Å; F927-Y940 HydrophobicContact CB-CD1 4.22Å; T928-Y940 CarbonylContact O-C 3.42Å; T928-Y940 WeakPolarHBondContact O-CA 3.29Å; K929-Y940 HydrophobicContact CB-CD1 4.33Å; K929-Y940 HydrophobicContact CB-CE1 4.13Å; K929-Y940 HydrophobicContact CD-CE1 4.33Å; K929-Y940 HydrophobicContact CG-CD1 4.25Å; K929-Y940 HydrophobicContact CG-CE1 3.98Å
941I96.4Very high92.9Very high47 Ų4766 Ų6624%0.24132%0.321CS..EExtended strand (participates in β ladder)trans-102.5134.3179.8-58.5-57.8000109W665 F927 T928 E930 T939W665-I941 HydrophobicContact CZ2-CD1 4.45Å; F927-I941 CarbonylContact C-O 3.54Å; F927-I941 WeakPolarHBondContact CA-O 3.38Å; T928-I941 PolarHBondContact N-O 3.48Å; T928-I941 PolarHBondContact O-N 3.27Å; T928-I941 PolarHBondContact OG1-O 3.35Å; E930-I941 HydrophobicContact CB-CG1 3.92Å; E930-I941 HydrophobicContact CG-CG1 4.28Å; T939-I941 HydrophobicContact CG2-CD1 3.77Å; T939-I941 HydrophobicContact CG2-CG1 4.26Å
942F97.3Very high93Very high23 Ų2365.6 Ų65.610%0.10132%0.323CS..EExtended strand (participates in β ladder)trans-76.9133179.1173.3-116.6000111F642 H656 F927 G944 W947F642-F942 HydrophobicContact CB-CE2 4.28Å; F642-F942 AromaticContact CD1-CD2 4Å; F642-F942 HydrophobicContact CD1-CD2 4Å; F642-F942 AromaticContact CD1-CE2 3.64Å; F642-F942 HydrophobicContact CD1-CE2 3.64Å; F642-F942 HydrophobicContact CE1-CE2 4.39Å; F642-F942 HydrophobicContact CG-CE2 4.13Å; H656-F942 HydrophobicContact CB-CB 3.5Å; H656-F942 VanDerWaalsContact CB-CB 3.5Å; H656-F942 HydrophobicContact CB-CD1 4.27Å; H656-F942 HydrophobicContact CB-CG 3.92Å; H656-F942 AromaticContact CD2-CD1 3.45Å; H656-F942 VanDerWaalsContact CD2-CD1 3.45Å; H656-F942 WeakPolarHBondContact CD2-CD1 3.37Å; H656-F942 AromaticContact CG-CD1 3.85Å; H656-F942 AromaticContact CG-CG 3.95Å; H656-F942 AromaticContact NE2-CD1 3.95Å; F927-F942 HydrophobicContact CD1-CB 4.06Å; F927-F942 HydrophobicContact CE1-CB 3.77Å; F927-F942 HydrophobicContact CE1-CD2 4.39Å; F927-F942 HydrophobicContact CE2-CD2 4.44Å; F927-F942 HydrophobicContact CZ-CB 4.38Å; F927-F942 HydrophobicContact CZ-CD2 4.22Å; F942-G944 VanDerWaalsContact CE1-CA 3.48Å; F942-G944 PolarHBondContact O-N 2.85Å; F942-W947 AromaticContact CE1-CD1 3.72Å; F942-W947 AromaticContact CE1-NE1 3.63Å; F942-W947 AromaticContact CZ-CD1 3.73Å; F942-W947 AromaticContact CZ-NE1 3.68Å
943T96.1Very high93.2Very high45 Ų4569.9 Ų69.928%0.27634%0.342SS..  trans-84.6-0.5-171.760.20000115W926 T928 K945W926-T943 WeakPolarHBondContact O-CB 3.5Å; W926-T943 WeakPolarHBondContact O-CG2 3.47Å; W926-T943 PolarHBondContact O-N 2.88Å; W926-T943 PolarHBondContact O-OG1 2.94Å; T928-T943 HydrophobicContact CG2-CG2 3.83Å; T943-K945 PolarHBondContact O-N 3.5Å
944G93.3Very high93.5Very high28 Ų2864.7 Ų64.729%0.28932%0.32SS..SBendtrans76.5-37.5-174.300000114.4F942 Y946 W947F942-G944 VanDerWaalsContact CE1-CA 3.48Å; F942-G944 PolarHBondContact O-N 2.85Å; G944-Y946 PolarHBondContact O-N 3.05Å; G944-W947 PolarHBondContact O-N 3.15Å
945K94.7Very high93.9Very high103 Ų10361.8 Ų61.845%0.44831%0.306SS..Hα-helixtrans-48.8-28.4-171.5-65.8-176.7176-176.20116.9W926 T943 W947 E948 H949W926-K945 HydrophobicContact CE3-CB 4.24Å; W926-K945 HydrophobicContact CZ3-CB 4.27Å; T943-K945 PolarHBondContact O-N 3.5Å; K945-W947 VanDerWaalsContact C-N 3.3Å; K945-W947 PolarHBondContact O-N 2.96Å; K945-E948 WeakPolarHBondContact O-CB 3.5Å; K945-E948 PolarHBondContact O-N 3.04Å; K945-H949 WeakPolarHBondContact O-CB 3.37Å; K945-H949 PolarHBondContact O-CD2 3.27Å; K945-H949 PolarHBondContact O-N 3.48Å
946Y96.4Very high94.2Very high0 Ų065.4 Ų65.40%033%0.332CS..Hα-helixtrans-59.2-42.3177.8-179.4-97.7000111.9E630 F642 C832 W926 G944 K950 W955E630-Y946 HydrophobicContact CB-CE1 3.84Å; E630-Y946 HydrophobicContact CG-CE1 4.37Å; E630-Y946 WeakPolarHBondContact CG-OH 3.41Å; E630-Y946 VanDerWaalsContact OE2-CE1 3.27Å; E630-Y946 WeakPolarHBondContact OE2-CE1 3.36Å; E630-Y946 PolarHBondContact OE2-OH 2.92Å; F642-Y946 HydrophobicContact CD1-CG 4.46Å; F642-Y946 AromaticContact CD2-CD1 3.39Å; F642-Y946 HydrophobicContact CD2-CD1 3.39Å; F642-Y946 AromaticContact CD2-CD2 3.95Å; F642-Y946 HydrophobicContact CD2-CD2 3.95Å; F642-Y946 AromaticContact CD2-CE1 3.48Å; F642-Y946 HydrophobicContact CD2-CE1 3.48Å; F642-Y946 VanDerWaalsContact CD2-CE1 3.48Å; F642-Y946 HydrophobicContact CD2-CE2 4.02Å; F642-Y946 AromaticContact CD2-CG 3.64Å; F642-Y946 HydrophobicContact CD2-CG 3.64Å; F642-Y946 AromaticContact CD2-CZ 3.81Å; F642-Y946 HydrophobicContact CE1-CD2 4.45Å; F642-Y946 HydrophobicContact CE1-CG 4.39Å; F642-Y946 AromaticContact CE2-CD1 3.72Å; F642-Y946 HydrophobicContact CE2-CD1 3.72Å; F642-Y946 AromaticContact CE2-CD2 3.36Å; F642-Y946 HydrophobicContact CE2-CD2 3.36Å; F642-Y946 AromaticContact CE2-CE1 3.71Å; F642-Y946 HydrophobicContact CE2-CE1 3.71Å; F642-Y946 AromaticContact CE2-CE2 3.34Å; F642-Y946 HydrophobicContact CE2-CE2 3.34Å; F642-Y946 AromaticContact CE2-CG 3.55Å; F642-Y946 HydrophobicContact CE2-CG 3.55Å; F642-Y946 AromaticContact CE2-CZ 3.53Å; F642-Y946 AromaticContact CG-CD1 3.96Å; F642-Y946 HydrophobicContact CG-CD1 3.96Å; F642-Y946 HydrophobicContact CG-CE1 4.45Å; F642-Y946 HydrophobicContact CG-CG 4.1Å; F642-Y946 AromaticContact CZ-CD2 3.64Å; F642-Y946 HydrophobicContact CZ-CD2 3.64Å; F642-Y946 AromaticContact CZ-CE2 3.98Å; F642-Y946 HydrophobicContact CZ-CE2 3.98Å; F642-Y946 AromaticContact CZ-CG 3.94Å; F642-Y946 HydrophobicContact CZ-CG 3.94Å; C832-Y946 HydrophobicContact CB-CE2 3.88Å; C832-Y946 VanDerWaalsContact SG-CE2 3.58Å; C832-Y946 PolarHBondContact SG-OH 2.88Å; C832-Y946 VanDerWaalsContact SG-OH 3.39Å; W926-Y946 AromaticContact CD2-CD2 3.92Å; W926-Y946 HydrophobicContact CD2-CD2 3.92Å; W926-Y946 HydrophobicContact CD2-CG 4.47Å; W926-Y946 AromaticContact CE2-CD2 3.76Å; W926-Y946 HydrophobicContact CE3-CD2 4.24Å; W926-Y946 HydrophobicContact CG-CD2 4.42Å; W926-Y946 HydrophobicContact CH2-CD2 4.26Å; W926-Y946 AromaticContact CZ2-CD2 3.94Å; W926-Y946 HydrophobicContact CZ2-CD2 3.94Å; W926-Y946 HydrophobicContact CZ3-CD2 4.4Å; G944-Y946 PolarHBondContact O-N 3.05Å; Y946-K950 WeakPolarHBondContact O-CB 3.49Å; Y946-K950 PolarHBondContact O-N 3.42Å; Y946-W955 HydrophobicContact CD2-CH2 4.11Å; Y946-W955 AromaticContact CD2-CZ3 3.92Å; Y946-W955 HydrophobicContact CD2-CZ3 3.92Å; Y946-W955 HydrophobicContact CE1-CH2 4.41Å; Y946-W955 AromaticContact CE2-CH2 3.48Å; Y946-W955 HydrophobicContact CE2-CH2 3.48Å; Y946-W955 VanDerWaalsContact CE2-CH2 3.48Å; Y946-W955 AromaticContact CE2-CZ3 3.56Å; Y946-W955 HydrophobicContact CE2-CZ3 3.56Å; Y946-W955 AromaticContact CZ-CH2 3.65Å
947W94.9Very high94.3Very high27 Ų2763.5 Ų63.510%0.10232%0.32CS..Hα-helixtrans-73-31.3178.1-56.2126.8000112.3E630 R640 F642 F942 G944 K945 K950 L951E630-W947 HydrophobicContact CB-CH2 4.28Å; E630-W947 HydrophobicContact CB-CZ3 4.48Å; R640-W947 HydrophobicContact CB-CH2 4.11Å; R640-W947 HydrophobicContact CB-CZ2 3.91Å; R640-W947 HydrophobicContact CG-CH2 4.35Å; R640-W947 HydrophobicContact CG-CZ2 3.72Å; R640-W947 VanDerWaalsContact CZ-CD1 3.49Å; F642-W947 HydrophobicContact CB-CZ2 4.07Å; F942-W947 AromaticContact CE1-CD1 3.72Å; F942-W947 AromaticContact CE1-NE1 3.63Å; F942-W947 AromaticContact CZ-CD1 3.73Å; F942-W947 AromaticContact CZ-NE1 3.68Å; G944-W947 PolarHBondContact O-N 3.15Å; K945-W947 VanDerWaalsContact C-N 3.3Å; K945-W947 PolarHBondContact O-N 2.96Å; W947-K950 HydrophobicContact CE3-CD 4.33Å; W947-K950 HydrophobicContact CZ3-CD 4.36Å; W947-L951 WeakPolarHBondContact O-CB 3.4Å; W947-L951 PolarHBondContact O-N 2.91Å
948E94.2Very high94.5Very high116 Ų11660.6 Ų60.654%0.54231%0.31SS..Hα-helixtrans-63.2-50.1172.9-55178156.600110.7K945 L951 I952K945-E948 WeakPolarHBondContact O-CB 3.5Å; K945-E948 PolarHBondContact O-N 3.04Å; E948-L951 PolarHBondContact O-N 3.44Å; E948-I952 PolarHBondContact O-N 2.79Å
949H95.4Very high94.5Very high34 Ų3458 Ų5816%0.15730%0.304CS..Hα-helixtrans-64.4-38.9177.9-87.7-91.5000112.6W926 K945 L951 I952 H953 D954 W955 M957W926-H949 HydrophobicContact CH2-CB 4.12Å; W926-H949 HydrophobicContact CZ3-CB 4.26Å; K945-H949 WeakPolarHBondContact O-CB 3.37Å; K945-H949 PolarHBondContact O-CD2 3.27Å; K945-H949 PolarHBondContact O-N 3.48Å; H949-L951 PolarHBondContact O-N 2.99Å; H949-I952 WeakPolarHBondContact O-CG1 3.4Å; H949-I952 PolarHBondContact O-N 3.44Å; H949-H953 PolarHBondContact O-N 2.96Å; H949-D954 IonicContact CE1-OD2 3.65Å; H949-D954 PolarHBondContact ND1-O 2.92Å; H949-D954 IonicContact ND1-OD2 3.42Å; H949-D954 PolarHBondContact O-N 3.34Å; H949-D954 VanDerWaalsContact O-N 3.1Å; H949-W955 HydrophobicContact CB-CE3 4.37Å; H949-W955 HydrophobicContact CB-CZ3 4.02Å; H949-M957 PolarHBondContact CE1-SD 3.05Å; H949-M957 PolarHBondContact NE2-SD 3.34Å
950K94.7Very high94.5Very high39 Ų3966.3 Ų66.317%0.1734%0.339CS..Hα-helixtrans-60.1-44.9172.9-169.5170.6-171.5178.60112.2E630 Y946 W947 I952 H953 W955E630-K950 IonicContact OE1-NZ 3.69Å; E630-K950 PolarHBondContact OE1-NZ 3.1Å; E630-K950 VanDerWaalsContact OE2-CD 3.32Å; E630-K950 WeakPolarHBondContact OE2-CD 3.5Å; E630-K950 WeakPolarHBondContact OE2-CE 3.42Å; E630-K950 IonicContact OE2-NZ 3.53Å; E630-K950 PolarHBondContact OE2-NZ 3.5Å; Y946-K950 WeakPolarHBondContact O-CB 3.49Å; Y946-K950 PolarHBondContact O-N 3.42Å; W947-K950 HydrophobicContact CE3-CD 4.33Å; W947-K950 HydrophobicContact CZ3-CD 4.36Å; K950-I952 PolarHBondContact O-N 3.39Å; K950-H953 PolarHBondContact O-N 2.93Å; K950-H953 VanDerWaalsContact O-N 3.09Å; K950-W955 HydrophobicContact CB-CH2 3.68Å; K950-W955 HydrophobicContact CB-CZ2 3.94Å; K950-W955 HydrophobicContact CG-CH2 4.17Å; K950-W955 HydrophobicContact CG-CZ2 3.96Å
951L92.6Very high94.4Very high144 Ų14464.6 Ų64.675%0.75433%0.333SS*.Hα-helixtrans-62.6-25.3-177.5-177.562.1000113.2W947 E948 H949W947-L951 WeakPolarHBondContact O-CB 3.4Å; W947-L951 PolarHBondContact O-N 2.91Å; E948-L951 PolarHBondContact O-N 3.44Å; H949-L951 PolarHBondContact O-N 2.99Å
952I94.8Very high94.3Very high113 Ų11365 Ų6558%0.57933%0.332SS*.THydrogen-bonded Turntrans-104.82.1176.866.1174.9000113.7E948 H949 K950 D954E948-I952 PolarHBondContact O-N 2.79Å; H949-I952 WeakPolarHBondContact O-CG1 3.4Å; H949-I952 PolarHBondContact O-N 3.44Å; K950-I952 PolarHBondContact O-N 3.39Å; I952-D954 HydrophobicContact CD1-CB 3.81Å; I952-D954 HydrophobicContact CG1-CB 3.8Å; I952-D954 PolarHBondContact O-N 3.26Å
953H93.6Very high94.2Very high110 Ų11067.2 Ų67.251%0.50934%0.343SS..THydrogen-bonded Turntrans54.928.5-175.7-54.1-114.5000114.2D830 H949 K950D830-H953 IonicContact OD1-CE1 2.83Å; D830-H953 PolarHBondContact OD1-CE1 3.38Å; D830-H953 IonicContact OD1-ND1 2.68Å; D830-H953 PolarHBondContact OD1-ND1 3.03Å; D830-H953 IonicContact OD2-CE1 2.85Å; D830-H953 PolarHBondContact OD2-CE1 3.42Å; D830-H953 VanDerWaalsContact OD2-CE1 3.28Å; D830-H953 IonicContact OD2-ND1 2.74Å; H949-H953 PolarHBondContact O-N 2.96Å; K950-H953 PolarHBondContact O-N 2.93Å; K950-H953 VanDerWaalsContact O-N 3.09Å
954D95.6Very high94.1Very high58 Ų5868.3 Ų68.331%0.3135%0.347SS..  trans-96.799179.4-179.716.4000111.9H949 I952 S956H949-D954 IonicContact CE1-OD2 3.65Å; H949-D954 PolarHBondContact ND1-O 2.92Å; H949-D954 IonicContact ND1-OD2 3.42Å; H949-D954 PolarHBondContact O-N 3.34Å; H949-D954 VanDerWaalsContact O-N 3.1Å; I952-D954 HydrophobicContact CD1-CB 3.81Å; I952-D954 HydrophobicContact CG1-CB 3.8Å; I952-D954 PolarHBondContact O-N 3.26Å; D954-S956 WeakPolarHBondContact OD1-CB 3.39Å; D954-S956 PolarHBondContact OD1-N 3.24Å; D954-S956 PolarHBondContact OD1-OG 3.34Å; D954-S956 PolarHBondContact OD2-OG 2.81Å
955W95.7Very high94.1Very high37 Ų3770.6 Ų70.614%0.1435%0.35CS..  trans-100.214.3175-58128.3000114.1D830 C832 P833 W926 Y946 H949 K950 M957 C958D830-W955 VanDerWaalsContact O-CZ2 3.31Å; D830-W955 WeakPolarHBondContact O-CZ2 3.5Å; D830-W955 PolarHBondContact O-NE1 3.37Å; C832-W955 HydrophobicContact CB-CD2 3.79Å; C832-W955 HydrophobicContact CB-CE3 3.67Å; C832-W955 HydrophobicContact CB-CG 4.49Å; C832-W955 HydrophobicContact CB-CH2 3.88Å; C832-W955 HydrophobicContact CB-CZ2 3.99Å; C832-W955 HydrophobicContact CB-CZ3 3.73Å; P833-W955 HydrophobicContact CG-CB 4.02Å; W926-W955 HydrophobicContact CH2-CE3 4.48Å; W926-W955 HydrophobicContact CH2-CZ3 4.21Å; W926-W955 HydrophobicContact CZ2-CZ3 4.32Å; Y946-W955 HydrophobicContact CD2-CH2 4.11Å; Y946-W955 AromaticContact CD2-CZ3 3.92Å; Y946-W955 HydrophobicContact CD2-CZ3 3.92Å; Y946-W955 HydrophobicContact CE1-CH2 4.41Å; Y946-W955 AromaticContact CE2-CH2 3.48Å; Y946-W955 HydrophobicContact CE2-CH2 3.48Å; Y946-W955 VanDerWaalsContact CE2-CH2 3.48Å; Y946-W955 AromaticContact CE2-CZ3 3.56Å; Y946-W955 HydrophobicContact CE2-CZ3 3.56Å; Y946-W955 AromaticContact CZ-CH2 3.65Å; H949-W955 HydrophobicContact CB-CE3 4.37Å; H949-W955 HydrophobicContact CB-CZ3 4.02Å; K950-W955 HydrophobicContact CB-CH2 3.68Å; K950-W955 HydrophobicContact CB-CZ2 3.94Å; K950-W955 HydrophobicContact CG-CH2 4.17Å; K950-W955 HydrophobicContact CG-CZ2 3.96Å; W955-M957 PolarHBondContact O-N 3.47Å; W955-M957 VanDerWaalsContact O-N 3.12Å; W955-C958 VanDerWaalsContact O-CB 3.29Å; W955-C958 WeakPolarHBondContact O-CB 3.32Å; W955-C958 PolarHBondContact O-N 3.42Å; W955-C958 PolarHBondContact O-SG 2.93Å
956S94.3Very high94.1Very high99 Ų9968.6 Ų68.669%0.69234%0.344SS*.THydrogen-bonded Turntrans-59.2-26.1-173.861.50000115.1D954D954-S956 WeakPolarHBondContact OD1-CB 3.39Å; D954-S956 PolarHBondContact OD1-N 3.24Å; D954-S956 PolarHBondContact OD1-OG 3.34Å; D954-S956 PolarHBondContact OD2-OG 2.81Å
957M92.9Very high93.9Very high69 Ų6972.9 Ų72.934%0.3437%0.366SS..THydrogen-bonded Turntrans-81.8-7.6175.764-167.6-79.900114.8L925 W926 H949 W955L925-M957 HydrophobicContact CD1-CB 4.49Å; L925-M957 HydrophobicContact CD1-CE 3.42Å; L925-M957 VanDerWaalsContact CD1-CE 3.42Å; L925-M957 HydrophobicContact CD1-CG 4.47Å; L925-M957 HydrophobicContact CD2-CE 4.41Å; L925-M957 HydrophobicContact CD2-CG 4.35Å; L925-M957 WeakPolarHBondContact CD2-O 3.43Å; L925-M957 HydrophobicContact CG-CE 3.78Å; W926-M957 HydrophobicContact CE3-CE 4.42Å; W926-M957 HydrophobicContact CH2-CE 3.94Å; W926-M957 HydrophobicContact CH2-CG 4.05Å; W926-M957 HydrophobicContact CH2-SD 3.8Å; W926-M957 HydrophobicContact CZ3-CE 3.82Å; W926-M957 HydrophobicContact CZ3-SD 4.02Å; H949-M957 PolarHBondContact CE1-SD 3.05Å; H949-M957 PolarHBondContact NE2-SD 3.34Å; W955-M957 PolarHBondContact O-N 3.47Å; W955-M957 VanDerWaalsContact O-N 3.12Å
958C93.5Very high93.9Very high19 Ų1976 Ų7613%0.12838%0.384CS..  trans-77.2127.5-177.2-630000111.5P833 T834 W955P833-C958 HydrophobicContact CG-CB 4.28Å; T834-C958 HydrophobicContact CG2-CB 4.4Å; W955-C958 VanDerWaalsContact O-CB 3.29Å; W955-C958 WeakPolarHBondContact O-CB 3.32Å; W955-C958 PolarHBondContact O-N 3.42Å; W955-C958 PolarHBondContact O-SG 2.93Å
959P90.9Very high93.9Very high65 Ų6573.1 Ų73.142%0.42237%0.372SS..  trans-69.9143.3174.929.1-34.1000111.2T834 I961T834-P959 HydrophobicContact CG2-CG 4.28Å; T834-P959 WeakPolarHBondContact CG2-O 3.39Å; P959-I961 HydrophobicContact CB-CG2 4.28Å; P959-I961 HydrophobicContact CG-CG2 4.03Å; P959-I961 PolarHBondContact O-N 3.49Å; P959-I961 VanDerWaalsContact O-N 3.14Å
960K91.9Very high93.7Very high179 Ų17976.2 Ų76.278%0.77839%0.389SS*.  trans-73.1105.9168.7-176.8173.2175.5176.80109.8Y962K960-Y962 WeakPolarHBondContact CE-O 3.38Å; K960-Y962 WeakPolarHBondContact CG-O 3.49Å
961I94Very high93.7Very high2 Ų279.3 Ų79.31%0.0141%0.407CS..  trans-103.7-15.7-17968.2174.4000114.8L624 E627 T834 R867 P959L624-I961 WeakPolarHBondContact CD1-O 3.45Å; E627-I961 VanDerWaalsContact CA-CD1 3.42Å; E627-I961 HydrophobicContact CB-CD1 3.82Å; E627-I961 HydrophobicContact CG-CD1 4.2Å; T834-I961 HydrophobicContact CG2-CD1 3.84Å; T834-I961 HydrophobicContact CG2-CG1 4.03Å; T834-I961 HydrophobicContact CG2-CG2 4.17Å; R867-I961 PolarHBondContact NH2-O 3.31Å; P959-I961 HydrophobicContact CB-CG2 4.28Å; P959-I961 HydrophobicContact CG-CG2 4.03Å; P959-I961 PolarHBondContact O-N 3.49Å; P959-I961 VanDerWaalsContact O-N 3.14Å
962Y94.2Very high93.8Very high56 Ų5673.4 Ų73.422%0.2238%0.375CS..  trans-107.20177.9-51.4-48000111.2L624 P833 T834 D835 L838 R839 L860 K960L624-Y962 HydrophobicContact CD1-CD1 3.92Å; L624-Y962 HydrophobicContact CD1-CE1 3.98Å; P833-Y962 WeakPolarHBondContact O-CD2 3.32Å; P833-Y962 WeakPolarHBondContact O-CE2 3.4Å; T834-Y962 PolarHBondContact O-OH 3.43Å; T834-Y962 VanDerWaalsContact O-OH 3.14Å; D835-Y962 PolarHBondContact O-OH 3.06Å; L838-Y962 HydrophobicContact CB-CD2 4.34Å; L838-Y962 HydrophobicContact CB-CE2 3.94Å; R839-Y962 HydrophobicContact CB-CE1 3.8Å; R839-Y962 HydrophobicContact CG-CD1 4.32Å; R839-Y962 HydrophobicContact CG-CE1 3.63Å; L860-Y962 HydrophobicContact CD2-CD1 3.97Å; K960-Y962 WeakPolarHBondContact CE-O 3.38Å; K960-Y962 WeakPolarHBondContact CG-O 3.49Å

Retrieved 962 of 962 residues in 1747.8 ms (Link to these results)

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