A0A087XYT0_POEFO Loading...

WD repeat-containing protein 35

As a component of the IFT complex A (IFT-A), a complex required for retrograde ciliary transport and entry into cilia of G protein-coupled receptors (GPCRs), it is involved in ciliogenesis and ciliary protein trafficking. May promote CASP3 activation and TNF-stimulated apoptosis.

AlphaFold DB , UniProt , Accession A0A087XYT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,179 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.5Confident86.7Confident26 Ų2638.9 Ų38.913%0.12821%0.213CC..  0134.10179175.270.500110.5I3 V273 F294 L302 R303 I337 R338 D340M1-I3 HydrophobicContact CE-CD1 3.69Å; M1-I3 HydrophobicContact CE-CG1 4.46Å; M1-I3 HydrophobicContact CG-CG1 4.37Å; M1-I3 HydrophobicContact SD-CD1 4.3Å; M1-V273 HydrophobicContact SD-CG2 4.44Å; M1-F294 HydrophobicContact CE-CB 3.62Å; M1-F294 HydrophobicContact CE-CG 4.04Å; M1-L302 HydrophobicContact CE-CB 3.55Å; M1-L302 HydrophobicContact CE-CD1 3.88Å; M1-L302 HydrophobicContact CE-CG 4.37Å; M1-L302 HydrophobicContact SD-CD1 4.45Å; M1-R303 HydrophobicContact CE-CB 4.05Å; M1-R303 HydrophobicContact CE-CG 4.3Å; M1-R303 WeakPolarHBondContact O-CG 3.41Å; M1-R303 PolarHBondContact O-NE 3.43Å; M1-I337 HydrophobicContact CG-CG2 3.88Å; M1-I337 HydrophobicContact SD-CG2 3.64Å; M1-R338 WeakPolarHBondContact CA-O 3.4Å; M1-D340 PolarHBondContact N-OD2 2.87Å
2F85.4Confident86.2Confident17 Ų1741.1 Ų41.18%0.07523%0.231CC..EExtended strand (participates in β ladder)trans-120.1141.9178.3177.8-103.7000112Y4 R338 D593 W595F2-Y4 AromaticContact CD1-CD1 3.87Å; F2-Y4 HydrophobicContact CD1-CD1 3.87Å; F2-Y4 HydrophobicContact CD1-CE1 4.48Å; F2-Y4 AromaticContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CE1 4.15Å; F2-Y4 HydrophobicContact CE1-CG 4.03Å; F2-Y4 HydrophobicContact CZ-CD1 4.3Å; F2-R338 HydrophobicContact CB-CB 4.32Å; F2-R338 PolarHBondContact N-O 3.14Å; F2-R338 PolarHBondContact O-N 3.48Å; F2-D593 HydrophobicContact CZ-CB 4.01Å; F2-D593 VanDerWaalsContact CZ-O 3.27Å; F2-D593 WeakPolarHBondContact CZ-O 3.39Å; F2-W595 HydrophobicContact CB-CB 3.61Å; F2-W595 HydrophobicContact CB-CG 4.41Å; F2-W595 HydrophobicContact CD1-CB 3.47Å; F2-W595 VanDerWaalsContact CD1-CB 3.47Å; F2-W595 AromaticContact CD1-CD1 3.74Å; F2-W595 AromaticContact CD1-CG 3.73Å; F2-W595 HydrophobicContact CD1-CG 3.73Å; F2-W595 HydrophobicContact CD2-CB 3.68Å; F2-W595 HydrophobicContact CE1-CB 3.97Å; F2-W595 AromaticContact CE1-CD1 3.71Å; F2-W595 HydrophobicContact CE1-CG 4.12Å; F2-W595 HydrophobicContact CE2-CB 4.18Å; F2-W595 HydrophobicContact CG-CB 3.31Å; F2-W595 HydrophobicContact CG-CG 4.08Å; F2-W595 HydrophobicContact CZ-CB 4.31Å
3I87.8Confident86Confident20 Ų2049.2 Ų49.210%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-139.8137.4-177.1-58.9163.6000109.5M1 F294 R303 L305 A335 N336 I337M1-I3 HydrophobicContact CE-CD1 3.69Å; M1-I3 HydrophobicContact CE-CG1 4.46Å; M1-I3 HydrophobicContact CG-CG1 4.37Å; M1-I3 HydrophobicContact SD-CD1 4.3Å; I3-F294 HydrophobicContact CD1-CD1 4.29Å; I3-F294 HydrophobicContact CD1-CD2 3.35Å; I3-F294 HydrophobicContact CD1-CE1 4.25Å; I3-F294 HydrophobicContact CD1-CE2 3.34Å; I3-F294 HydrophobicContact CD1-CG 3.87Å; I3-F294 HydrophobicContact CD1-CZ 3.8Å; I3-R303 HydrophobicContact CD1-CB 4.04Å; I3-L305 HydrophobicContact CG2-CD1 4.15Å; I3-L305 HydrophobicContact CG2-CD2 4.07Å; I3-L305 HydrophobicContact CG2-CG 4.49Å; I3-A335 HydrophobicContact CG2-CB 3.99Å; I3-N336 WeakPolarHBondContact CA-O 3.49Å; I3-I337 HydrophobicContact CD1-CD1 4.13Å; I3-I337 HydrophobicContact CG1-CB 4.27Å; I3-I337 HydrophobicContact CG1-CD1 4.16Å; I3-I337 HydrophobicContact CG1-CG1 4Å; I3-I337 HydrophobicContact CG1-CG2 3.96Å; I3-I337 HydrophobicContact CG2-CG1 4.34Å
4Y87.1Confident86Confident12 Ų1253.5 Ų53.55%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-146.2150175.365.9-79.3000111.8F2 S6 A335 N336 K612 T613F2-Y4 AromaticContact CD1-CD1 3.87Å; F2-Y4 HydrophobicContact CD1-CD1 3.87Å; F2-Y4 HydrophobicContact CD1-CE1 4.48Å; F2-Y4 AromaticContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CD1 3.37Å; F2-Y4 HydrophobicContact CE1-CE1 4.15Å; F2-Y4 HydrophobicContact CE1-CG 4.03Å; F2-Y4 HydrophobicContact CZ-CD1 4.3Å; Y4-S6 PolarHBondContact O-N 3.46Å; Y4-A335 CarbonylContact O-C 3.53Å; Y4-A335 VanDerWaalsContact O-CA 3.27Å; Y4-A335 WeakPolarHBondContact O-CA 3.21Å; Y4-N336 HydrophobicContact CD1-CB 4.34Å; Y4-N336 HydrophobicContact CE1-CB 3.71Å; Y4-N336 HydrophobicContact CE2-CB 4.24Å; Y4-N336 PolarHBondContact N-O 3.16Å; Y4-N336 VanDerWaalsContact N-O 3.11Å; Y4-N336 PolarHBondContact O-N 3.38Å; Y4-N336 PolarHBondContact OH-ND2 3.5Å; Y4-K612 HydrophobicContact CD2-CB 4.09Å; Y4-K612 HydrophobicContact CD2-CD 4.11Å; Y4-K612 HydrophobicContact CD2-CG 3.73Å; Y4-K612 HydrophobicContact CE2-CB 3.81Å; Y4-K612 HydrophobicContact CE2-CD 4.44Å; Y4-K612 HydrophobicContact CE2-CG 3.99Å; Y4-K612 HydrophobicContact CG-CG 4.1Å; Y4-T613 WeakPolarHBondContact OH-CG2 3.39Å
5L86.8Confident86.2Confident61 Ų6151.7 Ų51.732%0.31929%0.285SS..EExtended strand (participates in β ladder)trans-70.6123.8172.4-69.3172000109.6L305 L326 Y333 A335L5-L305 HydrophobicContact CD2-CD2 4.26Å; L5-L305 HydrophobicContact CG-CD1 4.34Å; L5-L326 HydrophobicContact CD2-CD1 4.45Å; L5-Y333 HydrophobicContact CD1-CD1 4.46Å; L5-Y333 HydrophobicContact CD2-CD1 4.31Å; L5-A335 HydrophobicContact CD2-CB 4.13Å
6S82.8Confident86.6Confident55 Ų5553.3 Ų53.339%0.38529%0.289SS..EExtended strand (participates in β ladder)trans-106.1-37.2-175.361.70000112.8Y4 F334 N336Y4-S6 PolarHBondContact O-N 3.46Å; S6-F334 PolarHBondContact N-O 3.16Å; S6-F334 PolarHBondContact OG-O 3.1Å; S6-N336 WeakPolarHBondContact CB-OD1 3.4Å; S6-N336 PolarHBondContact OG-OD1 2.86Å
7K84.2Confident87Confident47 Ų4750.5 Ų50.520%0.20427%0.274CS..EExtended strand (participates in β ladder)trans-147.4152.8-174.7-168.9179.2-175.6-175.90112I9 S59 Y333 F334K7-I9 HydrophobicContact CD-CD1 4.44Å; K7-I9 HydrophobicContact CD-CG1 4.3Å; K7-I9 HydrophobicContact CG-CG1 4.41Å; K7-S59 WeakPolarHBondContact CE-O 3.39Å; K7-S59 VanDerWaalsContact NZ-C 3.27Å; K7-S59 PolarHBondContact NZ-O 2.73Å; K7-Y333 CarbonylContact O-C 3.42Å; K7-Y333 WeakPolarHBondContact O-CA 3.1Å; K7-F334 HydrophobicContact CB-CB 4.1Å; K7-F334 HydrophobicContact CB-CD2 3.96Å; K7-F334 HydrophobicContact CB-CG 4.39Å; K7-F334 HydrophobicContact CD-CD2 4.3Å; K7-F334 HydrophobicContact CG-CD2 4.29Å; K7-F334 PolarHBondContact N-O 2.96Å; K7-F334 PolarHBondContact O-N 3.3Å
8K89.5Confident87.3Confident99 Ų9952.1 Ų52.143%0.4328%0.278SS..EExtended strand (participates in β ladder)trans-131.9126.1170.9-179.8-177.5175.8166.30108.7Y331 I332 Y333K8-Y331 HydrophobicContact CD-CD1 4.18Å; K8-Y331 HydrophobicContact CD-CG 4.42Å; K8-Y331 HydrophobicContact CG-CD1 4.16Å; K8-Y331 HydrophobicContact CG-CG 4.43Å; K8-I332 CarbonylContact C-O 3.6Å; K8-I332 WeakPolarHBondContact CA-O 3.35Å; K8-Y333 HydrophobicContact CB-CD1 4.15Å; K8-Y333 HydrophobicContact CB-CE1 4.12Å; K8-Y333 HydrophobicContact CD-CD1 4.45Å; K8-Y333 HydrophobicContact CD-CE1 3.65Å; K8-Y333 HydrophobicContact CD-CE2 4.36Å; K8-Y333 WeakPolarHBondContact CE-OH 3.33Å; K8-Y333 HydrophobicContact CG-CD1 4.17Å; K8-Y333 HydrophobicContact CG-CE1 3.86Å; K8-Y333 HydrophobicContact CG-CE2 4.39Å; K8-Y333 PolarHBondContact NZ-OH 3.21Å
9I89.6Confident87.5Confident25 Ų2550.2 Ų50.213%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-111130.2174.1-60.8-177.9000108K7 L61 Y331 I332 F334K7-I9 HydrophobicContact CD-CD1 4.44Å; K7-I9 HydrophobicContact CD-CG1 4.3Å; K7-I9 HydrophobicContact CG-CG1 4.41Å; I9-L61 HydrophobicContact CD1-CD2 4.21Å; I9-Y331 CarbonylContact O-C 3.5Å; I9-Y331 VanDerWaalsContact O-CA 3.28Å; I9-Y331 WeakPolarHBondContact O-CA 3.12Å; I9-I332 HydrophobicContact CB-CB 4.4Å; I9-I332 PolarHBondContact N-O 2.85Å; I9-I332 PolarHBondContact O-N 3.32Å; I9-F334 HydrophobicContact CD1-CE2 3.57Å; I9-F334 HydrophobicContact CD1-CZ 4.15Å; I9-F334 HydrophobicContact CG1-CE2 3.9Å
10A90.3Very high87.9Confident60 Ų6048.5 Ų48.550%0.49626%0.26SS..EExtended strand (participates in β ladder)trans-92.1136.417600000111Y331A10-Y331 HydrophobicContact CB-CD1 3.73Å; A10-Y331 HydrophobicContact CB-CE1 3.59Å
11I89.1Confident88.2Confident6 Ų647.1 Ų47.13%0.03125%0.254CS..PPolyproline II helixtrans-87.5127.7172-59.5-59.2000108.9N14 I15 L17 L37 S330 I332I11-N14 PolarHBondContact O-N 2.75Å; I11-I15 HydrophobicContact CG2-CB 4.46Å; I11-L17 HydrophobicContact CD1-CD1 4.48Å; I11-L17 HydrophobicContact CD1-CD2 4.45Å; I11-L17 HydrophobicContact CG1-CD1 3.9Å; I11-L17 HydrophobicContact CG1-CD2 4Å; I11-L17 HydrophobicContact CG1-CG 4.06Å; I11-L37 HydrophobicContact CG2-CD2 3.34Å; I11-S330 VanDerWaalsContact CB-O 3.28Å; I11-S330 WeakPolarHBondContact CB-O 3.4Å; I11-S330 WeakPolarHBondContact CG1-O 3.38Å; I11-S330 PolarHBondContact N-O 2.86Å; I11-I332 HydrophobicContact CD1-CD1 4.15Å; I11-I332 HydrophobicContact CD1-CG1 4.45Å
12P80.6Confident88.7Confident65 Ų6546.4 Ų46.442%0.42225%0.25SC..G310 helixtrans-46.6149.6171.9-31.930.9000114.1N14 R39P12-N14 PolarHBondContact O-N 3.43Å; P12-N14 VanDerWaalsContact O-N 3.16Å; P12-R39 VanDerWaalsContact CG-NH1 3.35Å
13N83.3Confident89Confident147 Ų14745.6 Ų45.679%0.78625%0.247SC*.G310 helixtrans62.512.3178.5-55.6-18.9000115.4I15N13-I15 HydrophobicContact CB-CD1 4.12Å; N13-I15 HydrophobicContact CB-CG1 4Å; N13-I15 PolarHBondContact O-N 3.35Å; N13-I15 VanDerWaalsContact O-N 3.13Å
14N85.7Confident88.8Confident109 Ų10947.5 Ų47.558%0.58325%0.254SS*.G310 helixtrans5428.5-178-67.3-38.9000113.8I11 P12 H16I11-N14 PolarHBondContact O-N 2.75Å; P12-N14 PolarHBondContact O-N 3.43Å; P12-N14 VanDerWaalsContact O-N 3.16Å; N14-H16 PolarHBondContact O-N 3.37Å
15I90.3Very high88.6Confident27 Ų2753.3 Ų53.314%0.13828%0.281CS..PPolyproline II helixtrans-64.9130.5177.6-64.4170.2000109I11 N13 E34 L37 S330I11-I15 HydrophobicContact CG2-CB 4.46Å; N13-I15 HydrophobicContact CB-CD1 4.12Å; N13-I15 HydrophobicContact CB-CG1 4Å; N13-I15 PolarHBondContact O-N 3.35Å; N13-I15 VanDerWaalsContact O-N 3.13Å; I15-E34 HydrophobicContact CG2-CB 4.01Å; I15-E34 WeakPolarHBondContact CG2-O 3.46Å; I15-L37 HydrophobicContact CB-CD2 4.07Å; I15-L37 HydrophobicContact CD1-CB 4.29Å; I15-L37 HydrophobicContact CD1-CD1 4.42Å; I15-L37 HydrophobicContact CD1-CD2 4.3Å; I15-L37 HydrophobicContact CG2-CB 4.07Å; I15-L37 HydrophobicContact CG2-CD2 3.84Å; I15-S330 WeakPolarHBondContact O-CA 3.41Å; I15-S330 VanDerWaalsContact O-CB 3.28Å; I15-S330 WeakPolarHBondContact O-CB 3.47Å
16H91.9Very high88.4Confident77 Ų7751.8 Ų51.836%0.35627%0.273SS..PPolyproline II helixtrans-72.5131.8177.7-70.2-76.2000111N14 G33 E34 D329N14-H16 PolarHBondContact O-N 3.37Å; H16-G33 CarbonylContact O-C 3.59Å; H16-G33 WeakPolarHBondContact O-CA 3.41Å; H16-E34 HydrophobicContact CB-CG 4.33Å; H16-E34 IonicContact CD2-OE2 2.77Å; H16-E34 PolarHBondContact O-N 3.17Å; H16-D329 WeakPolarHBondContact CA-O 3.31Å
17L93.4Very high88.6Confident5 Ų550.3 Ų50.33%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-80.4136.8174.8-66.7178.6000110.4I11 C31 L37 S313 A327 D329 I332I11-L17 HydrophobicContact CD1-CD1 4.48Å; I11-L17 HydrophobicContact CD1-CD2 4.45Å; I11-L17 HydrophobicContact CG1-CD1 3.9Å; I11-L17 HydrophobicContact CG1-CD2 4Å; I11-L17 HydrophobicContact CG1-CG 4.06Å; L17-C31 HydrophobicContact CD2-CB 4.09Å; L17-L37 HydrophobicContact CD2-CD2 4.34Å; L17-S313 WeakPolarHBondContact O-CB 3.33Å; L17-S313 PolarHBondContact O-OG 3.48Å; L17-A327 HydrophobicContact CB-CB 3.98Å; L17-A327 HydrophobicContact CD1-CB 4.04Å; L17-D329 PolarHBondContact N-O 2.85Å; L17-I332 HydrophobicContact CD1-CD1 4.22Å; L17-I332 HydrophobicContact CD1-CG1 3.51Å
18K92.6Very high88.9Confident80 Ų8048.7 Ų48.735%0.34826%0.259SS..EExtended strand (participates in β ladder)trans-105.8-35.5176.7-66.5-61.7-177.3-164.50112.7G32 E34 V74K18-G32 PolarHBondContact N-O 2.99Å; K18-E34 WeakPolarHBondContact CE-OE1 3.48Å; K18-E34 HydrophobicContact CG-CG 4.46Å; K18-E34 IonicContact NZ-OE1 3.92Å; K18-E34 PolarHBondContact NZ-OE1 3.5Å; K18-V74 WeakPolarHBondContact CB-O 3.48Å
19C91.3Very high89Confident15 Ų1544 Ų4410%0.10124%0.239CC..EExtended strand (participates in β ladder)trans-144.7152.4-176.859.90000112G32 Q75 V77C19-G32 PolarHBondContact N-O 3.45Å; C19-G32 PolarHBondContact O-N 3.46Å; C19-Q75 WeakPolarHBondContact CB-O 3.23Å; C19-V77 WeakPolarHBondContact SG-CG2 3.33Å
20L94.4Very high89.3Confident16 Ų1642.9 Ų42.98%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-143.6134.3-177.9-17873.4000108.8I29 A30 C31 A325 A327 I332L20-I29 HydrophobicContact CD1-CG2 3.61Å; L20-A30 WeakPolarHBondContact CA-O 3.16Å; L20-C31 HydrophobicContact CD1-CB 4Å; L20-A325 VanDerWaalsContact CD2-C 3.49Å; L20-A325 HydrophobicContact CD2-CB 3.69Å; L20-A325 WeakPolarHBondContact CD2-O 3.38Å; L20-A327 HydrophobicContact CB-CB 4.04Å; L20-A327 HydrophobicContact CD2-CB 4.25Å; L20-I332 HydrophobicContact CD1-CD1 4.25Å; L20-I332 HydrophobicContact CD1-CG2 4.44Å
21S93.9Very high89.4Confident21 Ų2140 Ų4015%0.14721%0.209CC..EExtended strand (participates in β ladder)trans-146.7132.8175.5-166.90000110.7A30 W79S21-A30 PolarHBondContact N-O 3.06Å; S21-A30 PolarHBondContact O-N 3.37Å; S21-W79 PolarHBondContact O-NE1 3Å
22W92.9Very high89.7Confident10 Ų1039.7 Ų39.74%0.03821%0.208CC..EExtended strand (participates in β ladder)trans-114.8120.4-176.3-163.7-16.5000109.4G27 F28 I29 L43 S316 W317 E318 R323 A325 F334W22-G27 PolarHBondContact NE1-O 3.41Å; W22-F28 VanDerWaalsContact CD1-O 3.26Å; W22-I29 HydrophobicContact CB-CG1 4.3Å; W22-I29 HydrophobicContact CD2-CD1 3.97Å; W22-I29 HydrophobicContact CD2-CG1 3.6Å; W22-I29 HydrophobicContact CE3-CD1 4.34Å; W22-I29 HydrophobicContact CE3-CG1 4.33Å; W22-I29 HydrophobicContact CG-CD1 4.47Å; W22-I29 HydrophobicContact CG-CG1 3.58Å; W22-I29 HydrophobicContact CH2-CD1 4.25Å; W22-I29 HydrophobicContact CZ2-CD1 3.87Å; W22-I29 HydrophobicContact CZ2-CG1 4.23Å; W22-I29 HydrophobicContact CZ3-CD1 4.47Å; W22-L43 HydrophobicContact CH2-CD1 3.89Å; W22-L43 HydrophobicContact CZ2-CD1 3.81Å; W22-S316 VanDerWaalsContact CB-OG 3.27Å; W22-S316 WeakPolarHBondContact CB-OG 3.34Å; W22-S316 PolarHBondContact N-OG 3.05Å; W22-W317 WeakPolarHBondContact CB-O 3.5Å; W22-E318 HydrophobicContact CD2-CB 4.2Å; W22-E318 HydrophobicContact CE3-CB 4.1Å; W22-E318 HydrophobicContact CH2-CB 3.82Å; W22-E318 HydrophobicContact CH2-CG 4.19Å; W22-E318 HydrophobicContact CZ2-CB 3.91Å; W22-E318 HydrophobicContact CZ2-CG 3.88Å; W22-E318 HydrophobicContact CZ3-CB 3.91Å; W22-R323 HydrophobicContact CH2-CB 4.27Å; W22-R323 HydrophobicContact CZ3-CB 4.36Å; W22-A325 HydrophobicContact CE3-CB 3.65Å; W22-A325 HydrophobicContact CZ3-CB 3.76Å; W22-F334 HydrophobicContact CE3-CE1 4.46Å; W22-F334 AromaticContact CH2-CD1 3.84Å; W22-F334 HydrophobicContact CH2-CD1 3.84Å; W22-F334 AromaticContact CH2-CE1 3.73Å; W22-F334 HydrophobicContact CH2-CE1 3.73Å; W22-F334 AromaticContact CZ3-CD1 3.76Å; W22-F334 HydrophobicContact CZ3-CD1 3.76Å; W22-F334 AromaticContact CZ3-CE1 3.69Å; W22-F334 HydrophobicContact CZ3-CE1 3.69Å
23N90.8Very high90.3Very high1 Ų136.6 Ų36.61%0.00519%0.188CC..  trans-65.2130.7177.9-179.9-83.2000111.8H25 Q26 G27 F28 W79 E81N23-H25 PolarHBondContact OD1-N 2.93Å; N23-Q26 WeakPolarHBondContact OD1-CA 3.3Å; N23-Q26 VanDerWaalsContact OD1-CB 3.29Å; N23-Q26 WeakPolarHBondContact OD1-CB 3.36Å; N23-Q26 PolarHBondContact OD1-N 3.29Å; N23-G27 WeakPolarHBondContact O-CA 3.36Å; N23-G27 PolarHBondContact O-N 2.93Å; N23-G27 PolarHBondContact OD1-N 3.23Å; N23-F28 HydrophobicContact CB-CB 4.16Å; N23-F28 WeakPolarHBondContact CB-O 3.41Å; N23-F28 PolarHBondContact N-O 2.81Å; N23-W79 HydrophobicContact CB-CD2 3.78Å; N23-W79 HydrophobicContact CB-CE3 4.17Å; N23-W79 HydrophobicContact CB-CG 4.05Å; N23-W79 HydrophobicContact CB-CZ2 4.21Å; N23-E81 WeakPolarHBondContact CA-OE1 3.37Å; N23-E81 PolarHBondContact ND2-OE1 2.99Å; N23-E81 PolarHBondContact ND2-OE2 3.42Å; N23-E81 PolarHBondContact OD1-OE2 3Å
24K84.4Confident90.7Very high60 Ų6032.5 Ų32.526%0.26116%0.164SC..THydrogen-bonded Turntrans-70.6-47-174.5-176.5-175.6-174.8170.70112.8E81 H269 G319K24-E81 PolarHBondContact N-OE1 3.17Å; K24-E81 PolarHBondContact N-OE2 3.3Å; K24-H269 VanDerWaalsContact CD-CD2 3.45Å; K24-H269 WeakPolarHBondContact CD-CD2 3.13Å; K24-G319 WeakPolarHBondContact O-CA 3.2Å
25H83Confident90.9Very high133 Ų13333.9 Ų33.962%0.61617%0.171SC*.THydrogen-bonded Turntrans-90.8-42.9-167.9-66.1-64.9000113.8N23 E81N23-H25 PolarHBondContact OD1-N 2.93Å; H25-E81 IonicContact CD2-OE2 3.5Å; H25-E81 PolarHBondContact N-OE2 2.74Å
26Q82.3Confident90.8Very high30 Ų3033 Ų3314%0.1417%0.168CC..THydrogen-bonded Turntrans-94.4-17.4-175-54.6-178.2-37.800112.9N23 F28 K42 E84N23-Q26 WeakPolarHBondContact OD1-CA 3.3Å; N23-Q26 VanDerWaalsContact OD1-CB 3.29Å; N23-Q26 WeakPolarHBondContact OD1-CB 3.36Å; N23-Q26 PolarHBondContact OD1-N 3.29Å; Q26-F28 HydrophobicContact CB-CD2 3.51Å; Q26-F28 HydrophobicContact CB-CE2 3.63Å; Q26-F28 HydrophobicContact CG-CD2 4.46Å; Q26-F28 HydrophobicContact CG-CE2 4.39Å; Q26-F28 VanDerWaalsContact OE1-CD2 3.31Å; Q26-K42 WeakPolarHBondContact O-CE 3.4Å; Q26-K42 PolarHBondContact O-NZ 2.83Å; Q26-K42 VanDerWaalsContact O-NZ 3.12Å; Q26-E84 VanDerWaalsContact NE2-CG 3.31Å; Q26-E84 PolarHBondContact NE2-OE1 3.48Å; Q26-E84 PolarHBondContact NE2-OE2 2.63Å
27G86.5Confident90.8Very high24 Ų2430.1 Ų30.125%0.24716%0.155CC..  trans78.317175.400000115.3W22 N23W22-G27 PolarHBondContact NE1-O 3.41Å; N23-G27 WeakPolarHBondContact O-CA 3.36Å; N23-G27 PolarHBondContact O-N 2.93Å; N23-G27 PolarHBondContact OD1-N 3.23Å
28F90.8Very high90.9Very high13 Ų1329.9 Ų29.96%0.05715%0.154CC..EExtended strand (participates in β ladder)trans-74144.2172.9-66.1-71.5000112.1W22 N23 Q26 V40 L41 K42 M63 W79 L100 W111W22-F28 VanDerWaalsContact CD1-O 3.26Å; N23-F28 HydrophobicContact CB-CB 4.16Å; N23-F28 WeakPolarHBondContact CB-O 3.41Å; N23-F28 PolarHBondContact N-O 2.81Å; Q26-F28 HydrophobicContact CB-CD2 3.51Å; Q26-F28 HydrophobicContact CB-CE2 3.63Å; Q26-F28 HydrophobicContact CG-CD2 4.46Å; Q26-F28 HydrophobicContact CG-CE2 4.39Å; Q26-F28 VanDerWaalsContact OE1-CD2 3.31Å; F28-V40 HydrophobicContact CB-CG1 4.07Å; F28-V40 HydrophobicContact CD1-CG1 4.01Å; F28-V40 HydrophobicContact CG-CG1 4.32Å; F28-L41 CarbonylContact C-O 3.56Å; F28-L41 WeakPolarHBondContact CA-O 3.43Å; F28-K42 HydrophobicContact CD1-CB 3.8Å; F28-K42 HydrophobicContact CD1-CD 3.98Å; F28-K42 HydrophobicContact CD1-CG 4.15Å; F28-K42 HydrophobicContact CE1-CB 3.93Å; F28-K42 HydrophobicContact CE1-CD 3.55Å; F28-K42 HydrophobicContact CE1-CG 4.18Å; F28-K42 HydrophobicContact CZ-CD 3.97Å; F28-M63 HydrophobicContact CD1-SD 4.16Å; F28-M63 HydrophobicContact CE1-SD 3.48Å; F28-M63 WeakPolarHBondContact CE1-SD 3.5Å; F28-M63 HydrophobicContact CZ-SD 4.37Å; F28-W79 HydrophobicContact CB-CH2 3.63Å; F28-W79 HydrophobicContact CB-CZ2 3.93Å; F28-W79 HydrophobicContact CB-CZ3 4.36Å; F28-L100 HydrophobicContact CE2-CD2 3.88Å; F28-L100 HydrophobicContact CZ-CD2 4.02Å; F28-W111 AromaticContact CD2-CZ2 3.91Å; F28-W111 HydrophobicContact CD2-CZ2 3.91Å; F28-W111 HydrophobicContact CE2-CZ2 4.13Å; F28-W111 HydrophobicContact CG-CZ2 4.29Å
29I92.7Very high90.9Very high1 Ų128 Ų281%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-117.2122.1176.8-57.7161.7000107.3L20 W22 V40 L41 L43 F334L20-I29 HydrophobicContact CD1-CG2 3.61Å; W22-I29 HydrophobicContact CB-CG1 4.3Å; W22-I29 HydrophobicContact CD2-CD1 3.97Å; W22-I29 HydrophobicContact CD2-CG1 3.6Å; W22-I29 HydrophobicContact CE3-CD1 4.34Å; W22-I29 HydrophobicContact CE3-CG1 4.33Å; W22-I29 HydrophobicContact CG-CD1 4.47Å; W22-I29 HydrophobicContact CG-CG1 3.58Å; W22-I29 HydrophobicContact CH2-CD1 4.25Å; W22-I29 HydrophobicContact CZ2-CD1 3.87Å; W22-I29 HydrophobicContact CZ2-CG1 4.23Å; W22-I29 HydrophobicContact CZ3-CD1 4.47Å; I29-V40 CarbonylContact O-C 3.48Å; I29-V40 VanDerWaalsContact O-CA 3.32Å; I29-V40 WeakPolarHBondContact O-CA 3.32Å; I29-L41 HydrophobicContact CB-CB 4.31Å; I29-L41 PolarHBondContact N-O 2.86Å; I29-L41 PolarHBondContact O-N 3.16Å; I29-L43 HydrophobicContact CD1-CD1 4.3Å; I29-L43 HydrophobicContact CD1-CG 4.28Å; I29-F334 HydrophobicContact CD1-CE1 3.61Å; I29-F334 HydrophobicContact CD1-CZ 3.73Å
30A94.4Very high90.9Very high0 Ų027.3 Ų27.30%014%0.14CC..EExtended strand (participates in β ladder)trans-102.6130.3172.200000109.3L20 S21 R39 V40 V77 W79 L86L20-A30 WeakPolarHBondContact CA-O 3.16Å; S21-A30 PolarHBondContact N-O 3.06Å; S21-A30 PolarHBondContact O-N 3.37Å; A30-R39 CarbonylContact C-O 3.58Å; A30-R39 WeakPolarHBondContact CA-O 3.47Å; A30-V40 HydrophobicContact CB-CG2 4.38Å; A30-V77 HydrophobicContact CB-CG1 3.49Å; A30-V77 VanDerWaalsContact CB-CG1 3.49Å; A30-W79 HydrophobicContact CB-CH2 4.25Å; A30-W79 HydrophobicContact CB-CZ2 3.46Å; A30-W79 VanDerWaalsContact CB-CZ2 3.46Å; A30-L86 HydrophobicContact CB-CD1 3.96Å; A30-L86 HydrophobicContact CB-CD2 4.09Å
31C94.1Very high90.8Very high0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-125.4127.9176.558.80000109.7L17 L20 L38 R39 I332L17-C31 HydrophobicContact CD2-CB 4.09Å; L20-C31 HydrophobicContact CD1-CB 4Å; C31-L38 WeakPolarHBondContact O-CA 3.41Å; C31-R39 PolarHBondContact N-O 3.26Å; C31-R39 PolarHBondContact O-N 2.94Å; C31-R39 VanDerWaalsContact SG-CB 3.58Å; C31-R39 PolarHBondContact SG-O 3.14Å; C31-I332 HydrophobicContact CB-CD1 3.92Å
32G94.3Very high90.5Very high0 Ų028.4 Ų28.40%014%0.142CC..EExtended strand (participates in β ladder)trans-111.5137.9177.400000110.1K18 C19 L37K18-G32 PolarHBondContact N-O 2.99Å; C19-G32 PolarHBondContact N-O 3.45Å; C19-G32 PolarHBondContact O-N 3.46Å; G32-L37 CarbonylContact C-O 3.56Å; G32-L37 WeakPolarHBondContact CA-O 3.38Å
33G93.4Very high90Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-133.8-170.9-178.800000113.6H16 L37 A73 V74H16-G33 CarbonylContact O-C 3.59Å; H16-G33 WeakPolarHBondContact O-CA 3.41Å; G33-L37 PolarHBondContact N-O 3.31Å; G33-A73 WeakPolarHBondContact O-CA 3.15Å; G33-V74 PolarHBondContact O-N 3.19Å
34E92.5Very high89.1Confident60 Ų6032.3 Ų32.328%0.2816%0.161SC..SBendtrans-65.9165.2170.8-65.5176.2173.400111.3I15 H16 K18 G36 L37 A73I15-E34 HydrophobicContact CG2-CB 4.01Å; I15-E34 WeakPolarHBondContact CG2-O 3.46Å; H16-E34 HydrophobicContact CB-CG 4.33Å; H16-E34 IonicContact CD2-OE2 2.77Å; H16-E34 PolarHBondContact O-N 3.17Å; K18-E34 WeakPolarHBondContact CE-OE1 3.48Å; K18-E34 HydrophobicContact CG-CG 4.46Å; K18-E34 IonicContact NZ-OE1 3.92Å; K18-E34 PolarHBondContact NZ-OE1 3.5Å; E34-G36 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact O-N 3.14Å; E34-L37 WeakPolarHBondContact O-CB 3.29Å; E34-L37 PolarHBondContact O-N 3.43Å; E34-L37 VanDerWaalsContact O-N 3.12Å; E34-A73 HydrophobicContact CG-CB 4.5Å
35D88.8Confident88.2Confident138 Ų13834 Ų3474%0.73818%0.177SC*.THydrogen-bonded Turntrans54.433.3177.7-54.6-27.8000115.2L37D35-L37 PolarHBondContact O-N 3.4Å
36G88.6Confident86.9Confident8 Ų832.1 Ų32.18%0.08217%0.168CC..THydrogen-bonded Turntrans75.47.9177.700000114.8E34 L38 H70 G72E34-G36 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact O-N 3.14Å; G36-L38 PolarHBondContact O-N 3.5Å; G36-L38 VanDerWaalsContact O-N 3.12Å; G36-H70 WeakPolarHBondContact CA-O 3.21Å; G36-G72 WeakPolarHBondContact CA-O 3.41Å; G36-G72 PolarHBondContact N-O 3.39Å
37L92.6Very high85.4Confident17 Ų1735.9 Ų35.99%0.08919%0.193CC..  trans-61.6118-179.7-179.675.4000110.9I11 I15 L17 G32 G33 E34 D35 R39I11-L37 HydrophobicContact CG2-CD2 3.34Å; I15-L37 HydrophobicContact CB-CD2 4.07Å; I15-L37 HydrophobicContact CD1-CB 4.29Å; I15-L37 HydrophobicContact CD1-CD1 4.42Å; I15-L37 HydrophobicContact CD1-CD2 4.3Å; I15-L37 HydrophobicContact CG2-CB 4.07Å; I15-L37 HydrophobicContact CG2-CD2 3.84Å; L17-L37 HydrophobicContact CD2-CD2 4.34Å; G32-L37 CarbonylContact C-O 3.56Å; G32-L37 WeakPolarHBondContact CA-O 3.38Å; G33-L37 PolarHBondContact N-O 3.31Å; E34-L37 WeakPolarHBondContact O-CB 3.29Å; E34-L37 PolarHBondContact O-N 3.43Å; E34-L37 VanDerWaalsContact O-N 3.12Å; D35-L37 PolarHBondContact O-N 3.4Å; L37-R39 HydrophobicContact CD1-CG 4.24Å
38L94.1Very high83.5Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-130.3123.8168178.961.4000109.6C31 G36 L67 V74 V77 T88 W98C31-L38 WeakPolarHBondContact O-CA 3.41Å; G36-L38 PolarHBondContact O-N 3.5Å; G36-L38 VanDerWaalsContact O-N 3.12Å; L38-L67 HydrophobicContact CB-CB 4.29Å; L38-L67 HydrophobicContact CD2-CB 3.83Å; L38-L67 HydrophobicContact CD2-CD1 3.9Å; L38-L67 HydrophobicContact CD2-CG 4.43Å; L38-L67 HydrophobicContact CG-CB 3.97Å; L38-L67 HydrophobicContact CG-CD1 4.17Å; L38-L67 HydrophobicContact CG-CG 4.45Å; L38-L67 PolarHBondContact O-N 3.49Å; L38-V74 HydrophobicContact CB-CG2 4.42Å; L38-V77 HydrophobicContact CD1-CG2 4.41Å; L38-T88 HydrophobicContact CD1-CG2 3.94Å; L38-T88 HydrophobicContact CD2-CG2 3.68Å; L38-T88 HydrophobicContact CG-CG2 4.49Å; L38-W98 HydrophobicContact CD2-CZ2 3.78Å
39R92.4Very high81.5Confident41 Ų4146.2 Ų46.216%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-130.7139.9176.6-78.8-167.91691210.7112.4P12 A30 C31 L37 Q65 T66P12-R39 VanDerWaalsContact CG-NH1 3.35Å; A30-R39 CarbonylContact C-O 3.58Å; A30-R39 WeakPolarHBondContact CA-O 3.47Å; C31-R39 PolarHBondContact N-O 3.26Å; C31-R39 PolarHBondContact O-N 2.94Å; C31-R39 VanDerWaalsContact SG-CB 3.58Å; C31-R39 PolarHBondContact SG-O 3.14Å; L37-R39 HydrophobicContact CD1-CG 4.24Å; R39-Q65 WeakPolarHBondContact CA-O 3.41Å; R39-T66 HydrophobicContact CG-CG2 4.12Å; R39-T66 PolarHBondContact NE-OG1 3.26Å; R39-T66 PolarHBondContact NH2-OG1 3.49Å
40V92.6Very high79.5Confident0 Ų050 Ų500%026%0.263CS..EExtended strand (participates in β ladder)trans-112.5122.5171.9-176.60000109.5F28 I29 A30 Q65 L67 W79 L86F28-V40 HydrophobicContact CB-CG1 4.07Å; F28-V40 HydrophobicContact CD1-CG1 4.01Å; F28-V40 HydrophobicContact CG-CG1 4.32Å; I29-V40 CarbonylContact O-C 3.48Å; I29-V40 VanDerWaalsContact O-CA 3.32Å; I29-V40 WeakPolarHBondContact O-CA 3.32Å; A30-V40 HydrophobicContact CB-CG2 4.38Å; V40-Q65 PolarHBondContact N-O 3.48Å; V40-Q65 PolarHBondContact O-N 2.9Å; V40-L67 HydrophobicContact CG2-CD1 3.57Å; V40-L67 HydrophobicContact CG2-CG 4.25Å; V40-W79 HydrophobicContact CG1-CH2 4.16Å; V40-L86 HydrophobicContact CG2-CD2 3.76Å
41L90.8Very high77.3Confident4 Ų460.3 Ų60.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-116.4148.5-176-52.8173.4000109.5F28 I29 L61 M63 N64 I332F28-L41 CarbonylContact C-O 3.56Å; F28-L41 WeakPolarHBondContact CA-O 3.43Å; I29-L41 HydrophobicContact CB-CB 4.31Å; I29-L41 PolarHBondContact N-O 2.86Å; I29-L41 PolarHBondContact O-N 3.16Å; L41-L61 HydrophobicContact CB-CD2 4.29Å; L41-L61 HydrophobicContact CD2-CD1 4.45Å; L41-M63 CarbonylContact C-O 3.54Å; L41-M63 WeakPolarHBondContact CA-O 3.32Å; L41-N64 HydrophobicContact CD2-CB 4.02Å; L41-N64 WeakPolarHBondContact CD2-OD1 3.45Å; L41-I332 HydrophobicContact CD1-CD1 3.78Å
42K87.7Confident75.4Confident56 Ų5662.5 Ų62.524%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-134130.5166.3-167.3174.6-179.2162.50109.8Q26 F28 L61 S62 M63Q26-K42 WeakPolarHBondContact O-CE 3.4Å; Q26-K42 PolarHBondContact O-NZ 2.83Å; Q26-K42 VanDerWaalsContact O-NZ 3.12Å; F28-K42 HydrophobicContact CD1-CB 3.8Å; F28-K42 HydrophobicContact CD1-CD 3.98Å; F28-K42 HydrophobicContact CD1-CG 4.15Å; F28-K42 HydrophobicContact CE1-CB 3.93Å; F28-K42 HydrophobicContact CE1-CD 3.55Å; F28-K42 HydrophobicContact CE1-CG 4.18Å; F28-K42 HydrophobicContact CZ-CD 3.97Å; K42-L61 CarbonylContact O-C 3.59Å; K42-L61 VanDerWaalsContact O-CA 3.31Å; K42-L61 WeakPolarHBondContact O-CA 3.27Å; K42-S62 WeakPolarHBondContact CB-OG 3.46Å; K42-S62 WeakPolarHBondContact CG-OG 3.25Å; K42-S62 PolarHBondContact O-N 2.71Å; K42-S62 PolarHBondContact O-OG 2.79Å; K42-M63 HydrophobicContact CB-CB 3.7Å; K42-M63 PolarHBondContact N-O 3.45Å; K42-M63 PolarHBondContact O-N 3.43Å
43L82.9Confident73.6Confident18 Ų1865.7 Ų65.79%0.09433%0.328CS..EExtended strand (participates in β ladder)trans-79138.8174.4-61.6174.6000109.5W22 I29 T45 L61 F334W22-L43 HydrophobicContact CH2-CD1 3.89Å; W22-L43 HydrophobicContact CZ2-CD1 3.81Å; I29-L43 HydrophobicContact CD1-CD1 4.3Å; I29-L43 HydrophobicContact CD1-CG 4.28Å; L43-T45 PolarHBondContact O-N 3.47Å; L43-L61 HydrophobicContact CD2-CD2 3.91Å; L43-F334 HydrophobicContact CD1-CD1 4.42Å; L43-F334 HydrophobicContact CD1-CE1 4Å; L43-F334 HydrophobicContact CD1-CZ 4.43Å
44E73.1Confident71.8Confident76 Ų7666.3 Ų66.336%0.35533%0.334SS..  trans-68.5113.7178.8-174.8173.5-143.100111.1Q46 A57 N60E44-Q46 PolarHBondContact O-N 2.77Å; E44-A57 WeakPolarHBondContact O-CB 3.48Å; E44-N60 HydrophobicContact CB-CB 4.3Å; E44-N60 PolarHBondContact N-O 3.38Å; E44-N60 VanDerWaalsContact N-O 3.13Å; E44-N60 WeakPolarHBondContact OE2-CB 2.98Å; E44-N60 PolarHBondContact OE2-ND2 3.41Å
45T63.8Low70.3Confident95 Ų9564.5 Ų64.558%0.58333%0.326SS*.  trans-78.4116.8172.442.50000109.5L43 T47L43-T45 PolarHBondContact O-N 3.47Å; T45-T47 PolarHBondContact O-N 3.41Å; T45-T47 VanDerWaalsContact O-N 3.09Å
46Q57.2Low68.7Low94 Ų9459.5 Ų59.544%0.43930%0.304SS..  trans-63.3111.3172.6-95175.6600109.6E44 P58E44-Q46 PolarHBondContact O-N 2.77Å; Q46-P58 VanDerWaalsContact CG-CD 3.46Å; Q46-P58 HydrophobicContact CG-CG 3.74Å
47T49.8Very low67Low109 Ų10960.1 Ų60.167%0.66931%0.308SS*.  trans-101127172.549.70000109T45T45-T47 PolarHBondContact O-N 3.41Å; T45-T47 VanDerWaalsContact O-N 3.09Å
48D46Very low65.2Low149 Ų14960.8 Ų60.880%0.79731%0.313SS*.SBendtrans89-5.9156.3-52.8-31.3000121.3N50D48-N50 PolarHBondContact O-N 2.98Å
49D49.7Very low63.3Low104 Ų10465.1 Ų65.156%0.55634%0.344SS*.  trans-85.6105.4172.4-143.5-16.5000111.4R51 L52D49-R51 PolarHBondContact O-N 3Å; D49-L52 PolarHBondContact O-N 3.44Å
50N51.5Low62.1Low80 Ų8067.9 Ų67.943%0.42836%0.361SS..THydrogen-bonded Turntrans-54.1-23.5-176.6-92.9-8.7000113.4D48 K53 F662D48-N50 PolarHBondContact O-N 2.98Å; N50-K53 WeakPolarHBondContact OD1-CE 3.02Å; N50-K53 PolarHBondContact OD1-NZ 3.26Å; N50-F662 WeakPolarHBondContact O-CE1 3.37Å; N50-F662 VanDerWaalsContact O-CZ 3.22Å; N50-F662 WeakPolarHBondContact O-CZ 3.48Å
51R47.7Very low61.4Low217 Ų21770.7 Ų70.782%0.81938%0.376SS*.THydrogen-bonded Turntrans-80.4-15.7-179.1-69-176.8176.5-176.5-0.3114.9D49D49-R51 PolarHBondContact O-N 3Å
52L54.3Low60.6Low47 Ų4772.2 Ų72.225%0.24639%0.387CS..SBendtrans-117.87.7-173.9-67.3165.8000113.3D49 L55D49-L52 PolarHBondContact O-N 3.44Å; L52-L55 HydrophobicContact CB-CD1 4.2Å; L52-L55 HydrophobicContact CD2-CD1 3.48Å; L52-L55 VanDerWaalsContact CD2-CD1 3.48Å; L52-L55 HydrophobicContact CG-CD1 4.46Å; L52-L55 WeakPolarHBondContact O-CB 3.45Å; L52-L55 PolarHBondContact O-N 3.15Å
53K57.1Low60.3Low67 Ų6770.7 Ų70.729%0.29138%0.381SS..THydrogen-bonded Turntrans-56141.9175.6-76.3178.8170.4172.80111.3N50 L55 L645N50-K53 WeakPolarHBondContact OD1-CE 3.02Å; N50-K53 PolarHBondContact OD1-NZ 3.26Å; K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 3.23Å; K53-L645 VanDerWaalsContact C-CD1 3.47Å; K53-L645 HydrophobicContact CB-CD1 3.64Å; K53-L645 WeakPolarHBondContact O-CD1 3.32Å
54G54.9Low60.6Low12 Ų1274.3 Ų74.312%0.12440%0.401CS..THydrogen-bonded Turntrans81.2-9.2179.300000116S630G54-S630 VanDerWaalsContact C-OG 3.25Å; G54-S630 PolarHBondContact O-OG 3.4Å
55L61.2Low61.4Low23 Ų2372.7 Ų72.712%0.1239%0.393CS..SBendtrans-78.4146.1172.7-66.4167.3000110.7L52 K53 A57 T613 Q628L52-L55 HydrophobicContact CB-CD1 4.2Å; L52-L55 HydrophobicContact CD2-CD1 3.48Å; L52-L55 VanDerWaalsContact CD2-CD1 3.48Å; L52-L55 HydrophobicContact CG-CD1 4.46Å; L52-L55 WeakPolarHBondContact O-CB 3.45Å; L52-L55 PolarHBondContact O-N 3.15Å; K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 3.23Å; L55-A57 PolarHBondContact O-N 3.28Å; L55-T613 HydrophobicContact CD2-CG2 4.3Å; L55-Q628 HydrophobicContact CD1-CG 3.79Å; L55-Q628 HydrophobicContact CD2-CG 4.31Å
56A55.1Low62.6Low32 Ų3271 Ų7126%0.26438%0.383SS..  trans-59.9132.7172.100000109.5N336A56-N336 WeakPolarHBondContact CB-ND2 3.4Å
57A53.3Low64.3Low21 Ų2166.8 Ų66.817%0.17436%0.363CS..  trans-32133.117300000113E44 L55E44-A57 WeakPolarHBondContact O-CB 3.48Å; L55-A57 PolarHBondContact O-N 3.28Å
58P53.2Low66.2Low31 Ų3169.4 Ų69.420%0.20137%0.368CS..  trans-57.4161.7179.925.3-34.8000111.5Q46 N60Q46-P58 VanDerWaalsContact CG-CD 3.46Å; Q46-P58 HydrophobicContact CG-CG 3.74Å; P58-N60 PolarHBondContact O-N 3.09Å
59S54.7Low68.1Low91 Ų9164.2 Ų64.264%0.63635%0.349SS*.SBendtrans-61.7-2.1-171.6-53.90000115.5K7K7-S59 WeakPolarHBondContact CE-O 3.39Å; K7-S59 VanDerWaalsContact NZ-C 3.27Å; K7-S59 PolarHBondContact NZ-O 2.73Å
60N66.7Low70.1Confident99 Ų9960 Ų6053%0.52933%0.326SS..  trans-83147.5-177.6-62.3-23.6000111.5E44 P58E44-N60 HydrophobicContact CB-CB 4.3Å; E44-N60 PolarHBondContact N-O 3.38Å; E44-N60 VanDerWaalsContact N-O 3.13Å; E44-N60 WeakPolarHBondContact OE2-CB 2.98Å; E44-N60 PolarHBondContact OE2-ND2 3.41Å; P58-N60 PolarHBondContact O-N 3.09Å
61L77.9Confident71.8Confident60 Ų6059.3 Ų59.331%0.31434%0.338SS..EExtended strand (participates in β ladder)trans-95.7121.2172.4-68.5166.4000107.2I9 L41 K42 L43 N64I9-L61 HydrophobicContact CD1-CD2 4.21Å; L41-L61 HydrophobicContact CB-CD2 4.29Å; L41-L61 HydrophobicContact CD2-CD1 4.45Å; K42-L61 CarbonylContact O-C 3.59Å; K42-L61 VanDerWaalsContact O-CA 3.31Å; K42-L61 WeakPolarHBondContact O-CA 3.27Å; L43-L61 HydrophobicContact CD2-CD2 3.91Å; L61-N64 HydrophobicContact CD1-CB 4.2Å
62S75.8Confident73.7Confident36 Ų3649.1 Ų49.125%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-75.4-18.7170.164.70000111.6K42 Q108K42-S62 WeakPolarHBondContact CB-OG 3.46Å; K42-S62 WeakPolarHBondContact CG-OG 3.25Å; K42-S62 PolarHBondContact O-N 2.71Å; K42-S62 PolarHBondContact O-OG 2.79Å; S62-Q108 PolarHBondContact O-NE2 3.48Å
63M81.2Confident75.5Confident23 Ų2347.1 Ų47.111%0.11329%0.291CS..EExtended strand (participates in β ladder)trans-149.4140.9173.4-169179.8-175.200110.8F28 L41 K42 Q65 G109F28-M63 HydrophobicContact CD1-SD 4.16Å; F28-M63 HydrophobicContact CE1-SD 3.48Å; F28-M63 WeakPolarHBondContact CE1-SD 3.5Å; F28-M63 HydrophobicContact CZ-SD 4.37Å; L41-M63 CarbonylContact C-O 3.54Å; L41-M63 WeakPolarHBondContact CA-O 3.32Å; K42-M63 HydrophobicContact CB-CB 3.7Å; K42-M63 PolarHBondContact N-O 3.45Å; K42-M63 PolarHBondContact O-N 3.43Å; M63-Q65 HydrophobicContact CE-CB 3.83Å; M63-G109 VanDerWaalsContact CE-O 3.31Å; M63-G109 WeakPolarHBondContact CE-O 3.22Å
64N88.4Confident77.3Confident94 Ų9444 Ų4450%0.50328%0.277SS..EExtended strand (participates in β ladder)trans-149.491.2171.8-1784.1000109L41 L61L41-N64 HydrophobicContact CD2-CB 4.02Å; L41-N64 WeakPolarHBondContact CD2-OD1 3.45Å; L61-N64 HydrophobicContact CD1-CB 4.2Å
65Q89.3Confident79Confident43 Ų4346.7 Ų46.720%0.20129%0.287CS..EExtended strand (participates in β ladder)trans-109.6134.5-178.8-173-180-3.700110R39 V40 M63 L67 W111R39-Q65 WeakPolarHBondContact CA-O 3.41Å; V40-Q65 PolarHBondContact N-O 3.48Å; V40-Q65 PolarHBondContact O-N 2.9Å; M63-Q65 HydrophobicContact CE-CB 3.83Å; Q65-L67 HydrophobicContact CG-CD2 3.9Å; Q65-W111 PolarHBondContact NE2-O 3.32Å
66T90.8Very high80.6Confident59 Ų5946.7 Ų46.736%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-94.3132.5167.7-49.60000108.1R39R39-T66 HydrophobicContact CG-CG2 4.12Å; R39-T66 PolarHBondContact NE-OG1 3.26Å; R39-T66 PolarHBondContact NH2-OG1 3.49Å
67L92Very high82.5Confident5 Ų545.9 Ų45.93%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-106.1121.1179.4-58.3-177.1000108.2L38 V40 Q65 L86 W98 W111L38-L67 HydrophobicContact CB-CB 4.29Å; L38-L67 HydrophobicContact CD2-CB 3.83Å; L38-L67 HydrophobicContact CD2-CD1 3.9Å; L38-L67 HydrophobicContact CD2-CG 4.43Å; L38-L67 HydrophobicContact CG-CB 3.97Å; L38-L67 HydrophobicContact CG-CD1 4.17Å; L38-L67 HydrophobicContact CG-CG 4.45Å; L38-L67 PolarHBondContact O-N 3.49Å; V40-L67 HydrophobicContact CG2-CD1 3.57Å; V40-L67 HydrophobicContact CG2-CG 4.25Å; Q65-L67 HydrophobicContact CG-CD2 3.9Å; L67-L86 HydrophobicContact CD1-CD2 4.2Å; L67-W98 HydrophobicContact CB-CE3 4.24Å; L67-W98 HydrophobicContact CB-CH2 3.67Å; L67-W98 HydrophobicContact CB-CZ2 3.95Å; L67-W98 HydrophobicContact CB-CZ3 3.78Å; L67-W98 HydrophobicContact CD1-CD2 3.72Å; L67-W98 HydrophobicContact CD1-CE3 3.84Å; L67-W98 HydrophobicContact CD1-CG 4.11Å; L67-W98 HydrophobicContact CD1-CZ2 4.45Å; L67-W98 HydrophobicContact CD1-CZ3 4.26Å; L67-W98 HydrophobicContact CD2-CE3 4.11Å; L67-W98 HydrophobicContact CD2-CZ3 4.11Å; L67-W98 HydrophobicContact CG-CE3 4.27Å; L67-W98 HydrophobicContact CG-CZ3 4.25Å; L67-W111 HydrophobicContact CD1-CB 4.33Å; L67-W111 HydrophobicContact CD2-CB 3.74Å
68E89.6Confident84.4Confident165 Ų16546 Ų4677%0.77128%0.278SS*.  trans-102.8131.7-177.5-63.6-176.5176.600109.1E113E68-E113 VanDerWaalsContact O-OE1 3.04Å
69G86.6Confident86.3Confident39 Ų3945.3 Ų45.340%0.40227%0.271SS..  trans166.1-32.1179.100000113.3
70H91.7Very high88.2Confident16 Ų1641.1 Ų41.17%0.07424%0.242CC..  trans-82.8136.2174.7-71.4-64.8000112.1G36 V74 T88 D90 L94G36-H70 WeakPolarHBondContact CA-O 3.21Å; H70-V74 HydrophobicContact CB-CG2 4.04Å; H70-T88 PolarHBondContact NE2-OG1 3.43Å; H70-D90 HydrophobicContact CB-CB 4.3Å; H70-D90 WeakPolarHBondContact ND1-CB 3.21Å; H70-D90 IonicContact ND1-OD2 3.25Å; H70-D90 PolarHBondContact ND1-OD2 3.34Å; H70-L94 PolarHBondContact CE1-O 3.33Å
71G85.6Confident89.2Confident66 Ų6638.7 Ų38.768%0.6823%0.227SC*.  trans-103.7-11.5175.400000114.2
72G88.7Confident89.7Confident2 Ų242.9 Ų42.92%0.02124%0.239CC..SBendtrans-122172.2177.500000112.1G36 V74G36-G72 WeakPolarHBondContact CA-O 3.41Å; G36-G72 PolarHBondContact N-O 3.39Å; G72-V74 PolarHBondContact O-N 2.79Å
73A92.2Very high90.3Very high6 Ų643.6 Ų43.65%0.0524%0.24CC..  trans-56.9128.9179.800000111.5G33 E34 Q75 D90 Q91G33-A73 WeakPolarHBondContact O-CA 3.15Å; E34-A73 HydrophobicContact CG-CB 4.5Å; A73-Q75 PolarHBondContact O-N 2.82Å; A73-D90 CarbonylContact O-C 3.51Å; A73-D90 WeakPolarHBondContact O-CA 3.47Å; A73-Q91 PolarHBondContact O-N 3.32Å
74V94.8Very high90.6Very high0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-76.7120-179.7-177.90000108.7K18 G33 L38 H70 G72 V77K18-V74 WeakPolarHBondContact CB-O 3.48Å; G33-V74 PolarHBondContact O-N 3.19Å; L38-V74 HydrophobicContact CB-CG2 4.42Å; H70-V74 HydrophobicContact CB-CG2 4.04Å; G72-V74 PolarHBondContact O-N 2.79Å; V74-V77 HydrophobicContact CG1-CG2 3.92Å
75Q91.3Very high90.8Very high70 Ų7042.3 Ų42.333%0.32723%0.23SC..EExtended strand (participates in β ladder)trans-101.2-40-171.1-66-63.1-32.900113.1C19 A73 S89 Q91C19-Q75 WeakPolarHBondContact CB-O 3.23Å; A73-Q75 PolarHBondContact O-N 2.82Å; Q75-S89 PolarHBondContact N-O 3.37Å; Q75-Q91 HydrophobicContact CG-CB 4.32Å
76V93Very high91.1Very high22 Ų2240.2 Ų40.213%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-132.1134.7-173.5-174.80000109.5T88 S89 M127V76-T88 CarbonylContact O-C 3.59Å; V76-T88 WeakPolarHBondContact O-CA 3.32Å; V76-S89 WeakPolarHBondContact CB-OG 3.35Å; V76-S89 PolarHBondContact N-O 2.86Å; V76-S89 PolarHBondContact O-N 3.3Å; V76-M127 HydrophobicContact CB-CE 3.86Å; V76-M127 HydrophobicContact CG1-CB 4.06Å; V76-M127 HydrophobicContact CG1-CE 3.72Å; V76-M127 HydrophobicContact CG1-CG 4.31Å
77V95Very high91.3Very high15 Ų1537.5 Ų37.59%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-135.4125178.2174.60000107.6C19 A30 L38 V74 L86 T88C19-V77 WeakPolarHBondContact SG-CG2 3.33Å; A30-V77 HydrophobicContact CB-CG1 3.49Å; A30-V77 VanDerWaalsContact CB-CG1 3.49Å; L38-V77 HydrophobicContact CD1-CG2 4.41Å; V74-V77 HydrophobicContact CG1-CG2 3.92Å; V77-L86 HydrophobicContact CG1-CD1 3.66Å; V77-T88 HydrophobicContact CG1-CG2 4.36Å; V77-T88 HydrophobicContact CG2-CG2 4.04Å
78T94.3Very high91.5Very high24 Ų2437.2 Ų37.215%0.14720%0.202CC..EExtended strand (participates in β ladder)trans-140.4140.8-179.5-170.30000111.3T87 M127 I136T78-T87 PolarHBondContact N-O 3.18Å; T78-T87 PolarHBondContact O-N 2.8Å; T78-M127 HydrophobicContact CG2-CB 4.02Å; T78-I136 HydrophobicContact CG2-CD1 4.5Å
79W93.8Very high91.8Very high16 Ų1629.4 Ų29.46%0.06117%0.166CC..EExtended strand (participates in β ladder)trans-97.1134.5-179.9-66.3102.2000110.7S21 N23 F28 A30 V40 E81 L86 W111S21-W79 PolarHBondContact O-NE1 3Å; N23-W79 HydrophobicContact CB-CD2 3.78Å; N23-W79 HydrophobicContact CB-CE3 4.17Å; N23-W79 HydrophobicContact CB-CG 4.05Å; N23-W79 HydrophobicContact CB-CZ2 4.21Å; F28-W79 HydrophobicContact CB-CH2 3.63Å; F28-W79 HydrophobicContact CB-CZ2 3.93Å; F28-W79 HydrophobicContact CB-CZ3 4.36Å; A30-W79 HydrophobicContact CB-CH2 4.25Å; A30-W79 HydrophobicContact CB-CZ2 3.46Å; A30-W79 VanDerWaalsContact CB-CZ2 3.46Å; V40-W79 HydrophobicContact CG1-CH2 4.16Å; W79-E81 HydrophobicContact CB-CG 4.42Å; W79-E81 WeakPolarHBondContact CB-OE1 3.33Å; W79-L86 HydrophobicContact CD2-CD1 3.75Å; W79-L86 HydrophobicContact CE3-CB 3.88Å; W79-L86 HydrophobicContact CE3-CD1 3.8Å; W79-L86 HydrophobicContact CE3-CG 4.39Å; W79-L86 HydrophobicContact CG-CD1 4.42Å; W79-L86 HydrophobicContact CH2-CB 4.28Å; W79-L86 HydrophobicContact CH2-CD1 3.96Å; W79-L86 HydrophobicContact CH2-CD2 4.03Å; W79-L86 HydrophobicContact CH2-CG 4.32Å; W79-L86 HydrophobicContact CZ2-CD1 3.92Å; W79-L86 HydrophobicContact CZ3-CB 3.66Å; W79-L86 HydrophobicContact CZ3-CD1 3.9Å; W79-L86 HydrophobicContact CZ3-CD2 4.27Å; W79-L86 HydrophobicContact CZ3-CG 4.15Å; W79-W111 HydrophobicContact CE3-CH2 4.38Å; W79-W111 HydrophobicContact CH2-CH2 4.34Å; W79-W111 HydrophobicContact CH2-CZ2 4.05Å; W79-W111 AromaticContact CZ3-CH2 3.5Å; W79-W111 HydrophobicContact CZ3-CH2 3.5Å; W79-W111 VanDerWaalsContact CZ3-CH2 3.5Å; W79-W111 AromaticContact CZ3-CZ2 3.62Å; W79-W111 HydrophobicContact CZ3-CZ2 3.62Å; W79-W111 HydrophobicContact CZ3-CZ3 4.22Å
80N92.8Very high92.1Very high3 Ų327.6 Ų27.62%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-95.587.7160.7-169.5-21.7000108.6R82 N83 E84 K85 W129 G133N80-R82 VanDerWaalsContact C-N 3.27Å; N80-R82 PolarHBondContact O-N 3.39Å; N80-R82 PolarHBondContact OD1-N 3.44Å; N80-N83 PolarHBondContact O-N 3.04Å; N80-N83 PolarHBondContact OD1-N 3.31Å; N80-E84 PolarHBondContact O-N 3.15Å; N80-K85 HydrophobicContact CB-CB 4.11Å; N80-K85 PolarHBondContact N-O 3.42Å; N80-K85 PolarHBondContact O-N 3.13Å; N80-W129 HydrophobicContact CB-CD2 3.91Å; N80-W129 HydrophobicContact CB-CE3 4.45Å; N80-W129 HydrophobicContact CB-CG 4.22Å; N80-W129 HydrophobicContact CB-CZ2 4.07Å; N80-W129 WeakPolarHBondContact ND2-CH2 3.11Å; N80-W129 WeakPolarHBondContact ND2-CZ3 3.42Å; N80-G133 PolarHBondContact ND2-O 2.93Å; N80-G133 WeakPolarHBondContact OD1-CA 3.25Å
81E87.9Confident92Very high48 Ų4831.1 Ų31.122%0.22416%0.164CC..THydrogen-bonded Turntrans-56.9-35.8-176.4-69.5-60.6156.300113.9N23 K24 H25 W79N23-E81 WeakPolarHBondContact CA-OE1 3.37Å; N23-E81 PolarHBondContact ND2-OE1 2.99Å; N23-E81 PolarHBondContact ND2-OE2 3.42Å; N23-E81 PolarHBondContact OD1-OE2 3Å; K24-E81 PolarHBondContact N-OE1 3.17Å; K24-E81 PolarHBondContact N-OE2 3.3Å; H25-E81 IonicContact CD2-OE2 3.5Å; H25-E81 PolarHBondContact N-OE2 2.74Å; W79-E81 HydrophobicContact CB-CG 4.42Å; W79-E81 WeakPolarHBondContact CB-OE1 3.33Å
82R88.8Confident92.1Very high148 Ų14832 Ų3256%0.55815%0.152SC*.THydrogen-bonded Turntrans-77.1-34.7-176.6-67.5-155.7-170.9172.67.2113.2N80 A131 D132N80-R82 VanDerWaalsContact C-N 3.27Å; N80-R82 PolarHBondContact O-N 3.39Å; N80-R82 PolarHBondContact OD1-N 3.44Å; R82-A131 PolarHBondContact NE-O 2.91Å; R82-A131 VanDerWaalsContact NE-O 3.17Å; R82-A131 PolarHBondContact NH2-O 3.08Å; R82-D132 WeakPolarHBondContact CD-O 3.48Å; R82-D132 VanDerWaalsContact CZ-CA 3.44Å; R82-D132 IonicContact CZ-OD1 3.51Å; R82-D132 IonicContact NH1-OD1 2.99Å; R82-D132 PolarHBondContact NH1-OD1 2.66Å; R82-D132 IonicContact NH2-OD1 3.7Å; R82-D132 PolarHBondContact NH2-OD1 3.07Å
83N88.2Confident92Very high52 Ų5231.9 Ų31.928%0.27815%0.151SC..THydrogen-bonded Turntrans-105.610.1-176.4-65.2-53.1000113.2N80 K85 G133 V150N80-N83 PolarHBondContact O-N 3.04Å; N80-N83 PolarHBondContact OD1-N 3.31Å; N83-K85 VanDerWaalsContact C-N 3.27Å; N83-K85 HydrophobicContact CB-CG 4.3Å; N83-K85 WeakPolarHBondContact O-CG 3.45Å; N83-K85 PolarHBondContact O-N 2.95Å; N83-G133 PolarHBondContact ND2-O 3.46Å; N83-V150 HydrophobicContact CB-CG2 4.08Å
84E88.9Confident92.1Very high73 Ų7332.7 Ų32.734%0.34116%0.155SC..THydrogen-bonded Turntrans54.237.6179.9-50.4-165.9149.600113.7Q26 N80 K102Q26-E84 VanDerWaalsContact NE2-CG 3.31Å; Q26-E84 PolarHBondContact NE2-OE1 3.48Å; Q26-E84 PolarHBondContact NE2-OE2 2.63Å; N80-E84 PolarHBondContact O-N 3.15Å; E84-K102 IonicContact OE1-NZ 3.48Å; E84-K102 IonicContact OE2-NZ 2.73Å; E84-K102 PolarHBondContact OE2-NZ 3.35Å
85K92.3Very high92Very high16 Ų1633 Ų337%0.0716%0.157CC..EExtended strand (participates in β ladder)trans-110.8149.3179.7-52.2-167.8178.5-164.60112.3N80 N83 V97 W98 E114 V150N80-K85 HydrophobicContact CB-CB 4.11Å; N80-K85 PolarHBondContact N-O 3.42Å; N80-K85 PolarHBondContact O-N 3.13Å; N83-K85 VanDerWaalsContact C-N 3.27Å; N83-K85 HydrophobicContact CB-CG 4.3Å; N83-K85 WeakPolarHBondContact O-CG 3.45Å; N83-K85 PolarHBondContact O-N 2.95Å; K85-V97 HydrophobicContact CB-CG1 4.2Å; K85-V97 HydrophobicContact CD-CG1 3.96Å; K85-W98 WeakPolarHBondContact CA-O 3.13Å; K85-E114 WeakPolarHBondContact CD-OE2 3.42Å; K85-E114 WeakPolarHBondContact CE-OE2 3.18Å; K85-E114 IonicContact NZ-OE1 3.41Å; K85-E114 PolarHBondContact NZ-OE1 2.94Å; K85-E114 IonicContact NZ-OE2 2.72Å; K85-E114 PolarHBondContact NZ-OE2 2.93Å; K85-V150 HydrophobicContact CD-CG2 4.16Å; K85-V150 PolarHBondContact NZ-O 3.15Å
86L94.7Very high92.2Very high0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-113.7132171.9173.165.3000108.9A30 V40 L67 V77 W79 T88 V97 W98 W111A30-L86 HydrophobicContact CB-CD1 3.96Å; A30-L86 HydrophobicContact CB-CD2 4.09Å; V40-L86 HydrophobicContact CG2-CD2 3.76Å; L67-L86 HydrophobicContact CD1-CD2 4.2Å; V77-L86 HydrophobicContact CG1-CD1 3.66Å; W79-L86 HydrophobicContact CD2-CD1 3.75Å; W79-L86 HydrophobicContact CE3-CB 3.88Å; W79-L86 HydrophobicContact CE3-CD1 3.8Å; W79-L86 HydrophobicContact CE3-CG 4.39Å; W79-L86 HydrophobicContact CG-CD1 4.42Å; W79-L86 HydrophobicContact CH2-CB 4.28Å; W79-L86 HydrophobicContact CH2-CD1 3.96Å; W79-L86 HydrophobicContact CH2-CD2 4.03Å; W79-L86 HydrophobicContact CH2-CG 4.32Å; W79-L86 HydrophobicContact CZ2-CD1 3.92Å; W79-L86 HydrophobicContact CZ3-CB 3.66Å; W79-L86 HydrophobicContact CZ3-CD1 3.9Å; W79-L86 HydrophobicContact CZ3-CD2 4.27Å; W79-L86 HydrophobicContact CZ3-CG 4.15Å; L86-T88 HydrophobicContact CD1-CG2 4.27Å; L86-T88 HydrophobicContact CD2-CG2 4.19Å; L86-T88 HydrophobicContact CG-CG2 3.93Å; L86-V97 CarbonylContact O-C 3.55Å; L86-V97 WeakPolarHBondContact O-CA 3.43Å; L86-W98 HydrophobicContact CB-CB 4.15Å; L86-W98 HydrophobicContact CD2-CG 4.48Å; L86-W98 PolarHBondContact N-O 3.38Å; L86-W98 PolarHBondContact O-N 2.91Å; L86-W111 HydrophobicContact CB-CE3 4.36Å; L86-W111 HydrophobicContact CB-CH2 4.5Å; L86-W111 HydrophobicContact CB-CZ3 3.96Å
87T95.6Very high92.3Very high1 Ų129.2 Ų29.21%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-118.6127.5175.9-51.10000109.9T78 I95 I96 V97 M127 W129 I136T78-T87 PolarHBondContact N-O 3.18Å; T78-T87 PolarHBondContact O-N 2.8Å; T87-I95 HydrophobicContact CG2-CG2 3.71Å; T87-I96 WeakPolarHBondContact CA-O 3.24Å; T87-V97 HydrophobicContact CG2-CG2 4.11Å; T87-M127 HydrophobicContact CG2-CE 4.06Å; T87-M127 HydrophobicContact CG2-SD 3.88Å; T87-W129 WeakPolarHBondContact OG1-CZ2 3.34Å; T87-I136 HydrophobicContact CG2-CD1 3.98Å
88T95.9Very high92.2Very high0 Ų028.8 Ų28.80%014%0.135CC..EExtended strand (participates in β ladder)trans-127.9148.4-176.460.20000110.8L38 H70 V76 V77 L86 I95 I96 W98L38-T88 HydrophobicContact CD1-CG2 3.94Å; L38-T88 HydrophobicContact CD2-CG2 3.68Å; L38-T88 HydrophobicContact CG-CG2 4.49Å; H70-T88 PolarHBondContact NE2-OG1 3.43Å; V76-T88 CarbonylContact O-C 3.59Å; V76-T88 WeakPolarHBondContact O-CA 3.32Å; V77-T88 HydrophobicContact CG1-CG2 4.36Å; V77-T88 HydrophobicContact CG2-CG2 4.04Å; L86-T88 HydrophobicContact CD1-CG2 4.27Å; L86-T88 HydrophobicContact CD2-CG2 4.19Å; L86-T88 HydrophobicContact CG-CG2 3.93Å; T88-I95 CarbonylContact O-C 3.56Å; T88-I95 VanDerWaalsContact O-CA 3.25Å; T88-I95 WeakPolarHBondContact O-CA 3.48Å; T88-I96 PolarHBondContact N-O 3.47Å; T88-I96 PolarHBondContact O-N 3.41Å; T88-I96 PolarHBondContact OG1-O 3.48Å; T88-W98 PolarHBondContact OG1-NE1 2.85Å
89S94.9Very high92Very high0 Ų031.8 Ų31.80%015%0.148CC..EExtended strand (participates in β ladder)trans-138146.5173.170.30000113Q75 V76 L94Q75-S89 PolarHBondContact N-O 3.37Å; V76-S89 WeakPolarHBondContact CB-OG 3.35Å; V76-S89 PolarHBondContact N-O 2.86Å; V76-S89 PolarHBondContact O-N 3.3Å; S89-L94 CarbonylContact C-O 3.48Å; S89-L94 WeakPolarHBondContact CA-O 3.47Å
90D92.8Very high91.7Very high2 Ų231.7 Ų31.71%0.01115%0.149CC..EExtended strand (participates in β ladder)trans-103.4175.417669.520.6000114.3H70 A73 N92 G93 L94H70-D90 HydrophobicContact CB-CB 4.3Å; H70-D90 WeakPolarHBondContact ND1-CB 3.21Å; H70-D90 IonicContact ND1-OD2 3.25Å; H70-D90 PolarHBondContact ND1-OD2 3.34Å; A73-D90 CarbonylContact O-C 3.51Å; A73-D90 WeakPolarHBondContact O-CA 3.47Å; D90-N92 PolarHBondContact O-N 3.41Å; D90-N92 WeakPolarHBondContact OD1-CA 3.34Å; D90-N92 WeakPolarHBondContact OD1-CB 3.32Å; D90-N92 PolarHBondContact OD1-N 2.71Å; D90-G93 PolarHBondContact O-N 3.38Å; D90-G93 VanDerWaalsContact O-N 3.1Å; D90-G93 PolarHBondContact OD1-N 2.88Å; D90-G93 VanDerWaalsContact OD1-N 3.08Å; D90-L94 PolarHBondContact N-O 3.06Å; D90-L94 WeakPolarHBondContact OD1-CB 3.36Å; D90-L94 PolarHBondContact OD1-N 3.2Å; D90-L94 WeakPolarHBondContact OD2-CB 3.44Å
91Q89.8Confident91.1Very high90 Ų9039 Ų3942%0.42118%0.177SC..THydrogen-bonded Turntrans-62-18.5177.274.8-172.59.400114.1A73 Q75 G93 V123A73-Q91 PolarHBondContact O-N 3.32Å; Q75-Q91 HydrophobicContact CG-CB 4.32Å; Q91-G93 VanDerWaalsContact C-N 3.34Å; Q91-V123 VanDerWaalsContact O-CG2 3.28Å; Q91-V123 WeakPolarHBondContact O-CG2 3.33Å
92N88.9Confident90.3Very high83 Ų8342.9 Ų42.944%0.44419%0.193SC..THydrogen-bonded Turntrans-89.8-6.4178.8-61.7-29.1000111.7D90D90-N92 PolarHBondContact O-N 3.41Å; D90-N92 WeakPolarHBondContact OD1-CA 3.34Å; D90-N92 WeakPolarHBondContact OD1-CB 3.32Å; D90-N92 PolarHBondContact OD1-N 2.71Å
93G87.2Confident88.7Confident0 Ų037.3 Ų37.30%018%0.179CC..  trans84.917.1-177.800000114D90 Q91D90-G93 PolarHBondContact O-N 3.38Å; D90-G93 VanDerWaalsContact O-N 3.1Å; D90-G93 PolarHBondContact OD1-N 2.88Å; D90-G93 VanDerWaalsContact OD1-N 3.08Å; Q91-G93 VanDerWaalsContact C-N 3.34Å
94L92.6Very high86.7Confident24 Ų2445.3 Ų45.313%0.12621%0.212CC..EExtended strand (participates in β ladder)trans-76.6128.2168.7178.767.4000108.9H70 S89 D90 I96 I116 N118H70-L94 PolarHBondContact CE1-O 3.33Å; S89-L94 CarbonylContact C-O 3.48Å; S89-L94 WeakPolarHBondContact CA-O 3.47Å; D90-L94 PolarHBondContact N-O 3.06Å; D90-L94 WeakPolarHBondContact OD1-CB 3.36Å; D90-L94 PolarHBondContact OD1-N 3.2Å; D90-L94 WeakPolarHBondContact OD2-CB 3.44Å; L94-I96 HydrophobicContact CD2-CD1 4.17Å; L94-I96 HydrophobicContact CD2-CG1 4.41Å; L94-I96 HydrophobicContact CG-CG1 4.2Å; L94-I116 HydrophobicContact CD1-CG2 3.42Å; L94-I116 VanDerWaalsContact CD1-CG2 3.42Å; L94-N118 HydrophobicContact CD1-CB 3.71Å
95I94.1Very high84.6Confident7 Ų748.6 Ų48.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-114.8130.6176.8-53.8177.6000108.2T87 T88 I116 N117 V124 M127 I138T87-I95 HydrophobicContact CG2-CG2 3.71Å; T88-I95 CarbonylContact O-C 3.56Å; T88-I95 VanDerWaalsContact O-CA 3.25Å; T88-I95 WeakPolarHBondContact O-CA 3.48Å; I95-I116 WeakPolarHBondContact O-CA 3.47Å; I95-N117 HydrophobicContact CB-CB 4.44Å; I95-N117 PolarHBondContact N-O 3.27Å; I95-N117 PolarHBondContact O-N 3.15Å; I95-V124 HydrophobicContact CD1-CG2 3.87Å; I95-V124 HydrophobicContact CG1-CG2 4.02Å; I95-M127 HydrophobicContact CD1-SD 4.31Å; I95-M127 HydrophobicContact CG2-SD 4.2Å; I95-I138 HydrophobicContact CD1-CD1 3.88Å; I95-I138 HydrophobicContact CD1-CG2 3.78Å
96I94.4Very high82.4Confident1 Ų152 Ų521%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-122.6132.5175.4-52.8177.7000108.6T87 T88 L94 W98 E113 M115 I116T87-I96 WeakPolarHBondContact CA-O 3.24Å; T88-I96 PolarHBondContact N-O 3.47Å; T88-I96 PolarHBondContact O-N 3.41Å; T88-I96 PolarHBondContact OG1-O 3.48Å; L94-I96 HydrophobicContact CD2-CD1 4.17Å; L94-I96 HydrophobicContact CD2-CG1 4.41Å; L94-I96 HydrophobicContact CG-CG1 4.2Å; I96-W98 HydrophobicContact CB-CZ2 4.01Å; I96-W98 HydrophobicContact CD1-CH2 4.49Å; I96-W98 HydrophobicContact CD1-CZ2 3.92Å; I96-W98 HydrophobicContact CG2-CD2 3.96Å; I96-W98 VanDerWaalsContact CG2-CE2 3.42Å; I96-W98 HydrophobicContact CG2-CG 4.41Å; I96-W98 HydrophobicContact CG2-CH2 4.17Å; I96-W98 HydrophobicContact CG2-CZ2 3.55Å; I96-E113 HydrophobicContact CG2-CB 4.42Å; I96-E113 HydrophobicContact CG2-CG 4.09Å; I96-M115 WeakPolarHBondContact CA-O 3.31Å; I96-I116 HydrophobicContact CG1-CG1 4.32Å; I96-I116 HydrophobicContact CG2-CG1 4.31Å
97V94.4Very high80.2Confident10 Ų1058.2 Ų58.26%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-104.4125.4170.8-176.60000108.1K85 L86 T87 E114 M115K85-V97 HydrophobicContact CB-CG1 4.2Å; K85-V97 HydrophobicContact CD-CG1 3.96Å; L86-V97 CarbonylContact O-C 3.55Å; L86-V97 WeakPolarHBondContact O-CA 3.43Å; T87-V97 HydrophobicContact CG2-CG2 4.11Å; V97-E114 PolarHBondContact O-N 3.17Å; V97-M115 HydrophobicContact CB-CB 4.21Å; V97-M115 HydrophobicContact CB-CE 4.42Å; V97-M115 HydrophobicContact CG2-CB 4.47Å; V97-M115 HydrophobicContact CG2-CE 3.66Å; V97-M115 PolarHBondContact N-O 3.09Å; V97-M115 PolarHBondContact O-N 3.4Å
98W93.8Very high78.4Confident6 Ų663.6 Ų63.62%0.02333%0.327CS..EExtended strand (participates in β ladder)trans-110142.8-178.8-46.580.9000110.4L38 L67 K85 L86 T88 I96 W111 Y112 E113L38-W98 HydrophobicContact CD2-CZ2 3.78Å; L67-W98 HydrophobicContact CB-CE3 4.24Å; L67-W98 HydrophobicContact CB-CH2 3.67Å; L67-W98 HydrophobicContact CB-CZ2 3.95Å; L67-W98 HydrophobicContact CB-CZ3 3.78Å; L67-W98 HydrophobicContact CD1-CD2 3.72Å; L67-W98 HydrophobicContact CD1-CE3 3.84Å; L67-W98 HydrophobicContact CD1-CG 4.11Å; L67-W98 HydrophobicContact CD1-CZ2 4.45Å; L67-W98 HydrophobicContact CD1-CZ3 4.26Å; L67-W98 HydrophobicContact CD2-CE3 4.11Å; L67-W98 HydrophobicContact CD2-CZ3 4.11Å; L67-W98 HydrophobicContact CG-CE3 4.27Å; L67-W98 HydrophobicContact CG-CZ3 4.25Å; K85-W98 WeakPolarHBondContact CA-O 3.13Å; L86-W98 HydrophobicContact CB-CB 4.15Å; L86-W98 HydrophobicContact CD2-CG 4.48Å; L86-W98 PolarHBondContact N-O 3.38Å; L86-W98 PolarHBondContact O-N 2.91Å; T88-W98 PolarHBondContact OG1-NE1 2.85Å; I96-W98 HydrophobicContact CB-CZ2 4.01Å; I96-W98 HydrophobicContact CD1-CH2 4.49Å; I96-W98 HydrophobicContact CD1-CZ2 3.92Å; I96-W98 HydrophobicContact CG2-CD2 3.96Å; I96-W98 VanDerWaalsContact CG2-CE2 3.42Å; I96-W98 HydrophobicContact CG2-CG 4.41Å; I96-W98 HydrophobicContact CG2-CH2 4.17Å; I96-W98 HydrophobicContact CG2-CZ2 3.55Å; W98-W111 HydrophobicContact CB-CE3 3.93Å; W98-Y112 CarbonylContact C-O 3.52Å; W98-Y112 WeakPolarHBondContact CA-O 3.5Å; W98-E113 HydrophobicContact CD2-CG 4.5Å; W98-E113 HydrophobicContact CE3-CB 4.49Å; W98-E113 HydrophobicContact CE3-CG 3.73Å; W98-E113 HydrophobicContact CH2-CG 3.55Å; W98-E113 WeakPolarHBondContact CH2-OE1 3.15Å; W98-E113 HydrophobicContact CZ2-CG 4.38Å; W98-E113 HydrophobicContact CZ3-CB 4.36Å; W98-E113 HydrophobicContact CZ3-CG 3.2Å
99M90.8Very high77.2Confident88 Ų8864.6 Ų64.643%0.43334%0.337SS..EExtended strand (participates in β ladder)trans-124142.4176.9-170178.3-172.200110.4W111 Y112 E114M99-W111 WeakPolarHBondContact O-CA 3.33Å; M99-Y112 PolarHBondContact N-O 3.42Å; M99-Y112 PolarHBondContact O-N 2.9Å; M99-E114 HydrophobicContact CB-CB 4.26Å
100L86.7Confident76.7Confident14 Ų1465.7 Ų65.77%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-85.2113.4176-177.965.9000110.4F28 K102 W111F28-L100 HydrophobicContact CE2-CD2 3.88Å; F28-L100 HydrophobicContact CZ-CD2 4.02Å; L100-K102 HydrophobicContact CG-CG 4.49Å; L100-W111 HydrophobicContact CB-CD2 4.17Å; L100-W111 HydrophobicContact CB-CE3 4.13Å; L100-W111 HydrophobicContact CB-CH2 3.86Å; L100-W111 HydrophobicContact CB-CZ2 3.94Å; L100-W111 HydrophobicContact CB-CZ3 3.99Å; L100-W111 HydrophobicContact CD1-CD2 4.21Å; L100-W111 HydrophobicContact CD1-CG 4.26Å; L100-W111 HydrophobicContact CD1-CZ2 4.34Å; L100-W111 HydrophobicContact CD2-CZ2 4.35Å; L100-W111 HydrophobicContact CG-CZ2 4.44Å
101Y80.3Confident76.5Confident155 Ų15565.8 Ų65.861%0.60835%0.347SS*.EExtended strand (participates in β ladder)trans-94.5119.5174.4-164.4-102.4000110.7A103 G109 A110Y101-A103 HydrophobicContact CD1-CB 3.94Å; Y101-A103 HydrophobicContact CE1-CB 3.75Å; Y101-G109 WeakPolarHBondContact O-CA 3.4Å; Y101-A110 PolarHBondContact N-O 3.07Å; Y101-A110 PolarHBondContact O-N 2.73Å; Y101-A110 VanDerWaalsContact O-N 3.15Å
102K71.6Confident76.4Confident130 Ų13068 Ų6857%0.56535%0.352SS*.  trans-99.886.4176.1-64.9172.4-173.8149.20109E84 L100E84-K102 IonicContact OE1-NZ 3.48Å; E84-K102 IonicContact OE2-NZ 2.73Å; E84-K102 PolarHBondContact OE2-NZ 3.35Å; L100-K102 HydrophobicContact CG-CG 4.49Å
103A55.1Low76.5Confident32 Ų3268.4 Ų68.426%0.26435%0.351SS..  trans-76.9140.1176.900000111.4Y101 V105 V106Y101-A103 HydrophobicContact CD1-CB 3.94Å; Y101-A103 HydrophobicContact CE1-CB 3.75Å; A103-V105 PolarHBondContact O-N 2.97Å; A103-V106 HydrophobicContact CB-CG2 4.35Å; A103-V106 PolarHBondContact O-N 3.47Å; A103-V106 VanDerWaalsContact O-N 3.13Å
104F46.8Very low76.6Confident219 Ų21972.9 Ų72.996%0.96137%0.372SS*.THydrogen-bonded Turntrans-59.9-14.9-177.9-147.1-91.6000114.6
105V44.7Very low76.4Confident142 Ų14275 Ų7586%0.86138%0.382SS*.THydrogen-bonded Turntrans-102.1-15.4-176.3-171.20000112.5A103A103-V105 PolarHBondContact O-N 2.97Å
106V44.3Very low76.2Confident88 Ų8879 Ų7953%0.53340%0.403SS..  trans-109.1115.3179.4-164.70000108.5A103 Q108A103-V106 HydrophobicContact CB-CG2 4.35Å; A103-V106 PolarHBondContact O-N 3.47Å; A103-V106 VanDerWaalsContact O-N 3.13Å; V106-Q108 WeakPolarHBondContact CG1-O 3.4Å; V106-Q108 PolarHBondContact O-N 2.74Å; V106-Q108 VanDerWaalsContact O-N 3.1Å
107S49.1Very low75.9Confident130 Ų13082.5 Ų82.591%0.90942%0.421SS*.SBendtrans-64.4-10.1177.947.30000113.8
108Q57.9Low75.4Confident115 Ų11585.3 Ų85.354%0.53744%0.436SS..SBendtrans-127.4118.1175.2-64.2-178.3-8.500109.3S62 V106S62-Q108 PolarHBondContact O-NE2 3.48Å; V106-Q108 WeakPolarHBondContact CG1-O 3.4Å; V106-Q108 PolarHBondContact O-N 2.74Å; V106-Q108 VanDerWaalsContact O-N 3.1Å
109G70.3Confident74.7Confident21 Ų2187.9 Ų87.922%0.21645%0.446CS..  trans-61151.8176.100000112.2M63 Y101M63-G109 VanDerWaalsContact CE-O 3.31Å; M63-G109 WeakPolarHBondContact CE-O 3.22Å; Y101-G109 WeakPolarHBondContact O-CA 3.4Å
110A84.1Confident74.1Confident23 Ų2389.5 Ų89.519%0.1946%0.456CS..EExtended strand (participates in β ladder)trans-122.3144.5-179.900000111.4Y101 Y112Y101-A110 PolarHBondContact N-O 3.07Å; Y101-A110 PolarHBondContact O-N 2.73Å; Y101-A110 VanDerWaalsContact O-N 3.15Å; A110-Y112 HydrophobicContact CB-CD2 4.5Å; A110-Y112 HydrophobicContact CB-CE2 3.66Å; A110-Y112 WeakPolarHBondContact O-CD2 3.42Å
111W88.9Confident74Confident3 Ų395.3 Ų95.31%0.01148%0.481CS..EExtended strand (participates in β ladder)trans-85.5134.8177.6-69.992.8000110.9F28 Q65 L67 W79 L86 W98 M99 L100F28-W111 AromaticContact CD2-CZ2 3.91Å; F28-W111 HydrophobicContact CD2-CZ2 3.91Å; F28-W111 HydrophobicContact CE2-CZ2 4.13Å; F28-W111 HydrophobicContact CG-CZ2 4.29Å; Q65-W111 PolarHBondContact NE2-O 3.32Å; L67-W111 HydrophobicContact CD1-CB 4.33Å; L67-W111 HydrophobicContact CD2-CB 3.74Å; W79-W111 HydrophobicContact CE3-CH2 4.38Å; W79-W111 HydrophobicContact CH2-CH2 4.34Å; W79-W111 HydrophobicContact CH2-CZ2 4.05Å; W79-W111 AromaticContact CZ3-CH2 3.5Å; W79-W111 HydrophobicContact CZ3-CH2 3.5Å; W79-W111 VanDerWaalsContact CZ3-CH2 3.5Å; W79-W111 AromaticContact CZ3-CZ2 3.62Å; W79-W111 HydrophobicContact CZ3-CZ2 3.62Å; W79-W111 HydrophobicContact CZ3-CZ3 4.22Å; L86-W111 HydrophobicContact CB-CE3 4.36Å; L86-W111 HydrophobicContact CB-CH2 4.5Å; L86-W111 HydrophobicContact CB-CZ3 3.96Å; W98-W111 HydrophobicContact CB-CE3 3.93Å; M99-W111 WeakPolarHBondContact O-CA 3.33Å; L100-W111 HydrophobicContact CB-CD2 4.17Å; L100-W111 HydrophobicContact CB-CE3 4.13Å; L100-W111 HydrophobicContact CB-CH2 3.86Å; L100-W111 HydrophobicContact CB-CZ2 3.94Å; L100-W111 HydrophobicContact CB-CZ3 3.99Å; L100-W111 HydrophobicContact CD1-CD2 4.21Å; L100-W111 HydrophobicContact CD1-CG 4.26Å; L100-W111 HydrophobicContact CD1-CZ2 4.34Å; L100-W111 HydrophobicContact CD2-CZ2 4.35Å; L100-W111 HydrophobicContact CG-CZ2 4.44Å
112Y88.3Confident74.3Confident137 Ų13788.8 Ų88.854%0.53746%0.458SS..EExtended strand (participates in β ladder)trans-132.3155.6178.3-65-85000111.3W98 M99 A110W98-Y112 CarbonylContact C-O 3.52Å; W98-Y112 WeakPolarHBondContact CA-O 3.5Å; M99-Y112 PolarHBondContact N-O 3.42Å; M99-Y112 PolarHBondContact O-N 2.9Å; A110-Y112 HydrophobicContact CB-CD2 4.5Å; A110-Y112 HydrophobicContact CB-CE2 3.66Å; A110-Y112 WeakPolarHBondContact O-CD2 3.42Å
113E91.4Very high75.2Confident92 Ų9284.4 Ų84.443%0.4344%0.442SS..EExtended strand (participates in β ladder)trans-68.4127.5172.4-58.8-179.1158.100110.1E68 I96 W98E68-E113 VanDerWaalsContact O-OE1 3.04Å; I96-E113 HydrophobicContact CG2-CB 4.42Å; I96-E113 HydrophobicContact CG2-CG 4.09Å; W98-E113 HydrophobicContact CD2-CG 4.5Å; W98-E113 HydrophobicContact CE3-CB 4.49Å; W98-E113 HydrophobicContact CE3-CG 3.73Å; W98-E113 HydrophobicContact CH2-CG 3.55Å; W98-E113 WeakPolarHBondContact CH2-OE1 3.15Å; W98-E113 HydrophobicContact CZ2-CG 4.38Å; W98-E113 HydrophobicContact CZ3-CB 4.36Å; W98-E113 HydrophobicContact CZ3-CG 3.2Å
114E89.5Confident77.1Confident93 Ų9382.9 Ų82.944%0.43543%0.43SS..EExtended strand (participates in β ladder)trans-105.3-46.9175-174.6-171.2-177.300110.8K85 V97 M99K85-E114 WeakPolarHBondContact CD-OE2 3.42Å; K85-E114 WeakPolarHBondContact CE-OE2 3.18Å; K85-E114 IonicContact NZ-OE1 3.41Å; K85-E114 PolarHBondContact NZ-OE1 2.94Å; K85-E114 IonicContact NZ-OE2 2.72Å; K85-E114 PolarHBondContact NZ-OE2 2.93Å; V97-E114 PolarHBondContact O-N 3.17Å; M99-E114 HydrophobicContact CB-CB 4.26Å
115M88.3Confident79.2Confident68 Ų6877.9 Ų77.934%0.33540%0.404SS..EExtended strand (participates in β ladder)trans-143.2141.7-176-178.4177.159.200110.8I96 V97 G152I96-M115 WeakPolarHBondContact CA-O 3.31Å; V97-M115 HydrophobicContact CB-CB 4.21Å; V97-M115 HydrophobicContact CB-CE 4.42Å; V97-M115 HydrophobicContact CG2-CB 4.47Å; V97-M115 HydrophobicContact CG2-CE 3.66Å; V97-M115 PolarHBondContact N-O 3.09Å; V97-M115 PolarHBondContact O-N 3.4Å; M115-G152 VanDerWaalsContact SD-CA 3.57Å
116I89.9Confident81.5Confident92 Ų9271.9 Ų71.947%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-123.5132.6175.1-58.5177.3000108.3L94 I95 I96L94-I116 HydrophobicContact CD1-CG2 3.42Å; L94-I116 VanDerWaalsContact CD1-CG2 3.42Å; I95-I116 WeakPolarHBondContact O-CA 3.47Å; I96-I116 HydrophobicContact CG1-CG1 4.32Å; I96-I116 HydrophobicContact CG2-CG1 4.31Å
117N87.7Confident84Confident74 Ų7468.2 Ų68.240%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-128.7125.9172.5-170.7-28.5000108.9I95I95-N117 HydrophobicContact CB-CB 4.44Å; I95-N117 PolarHBondContact N-O 3.27Å; I95-N117 PolarHBondContact O-N 3.15Å
118N84.6Confident86.1Confident69 Ų6963.1 Ų63.137%0.36931%0.31SS..EExtended strand (participates in β ladder)trans-128.9116.5178.8-166-9.8000111.1L94 N120L94-N118 HydrophobicContact CD1-CB 3.71Å; N118-N120 VanDerWaalsContact CG-CG 3.41Å; N118-N120 VanDerWaalsContact ND2-CG 3.26Å; N118-N120 PolarHBondContact ND2-ND2 3.17Å; N118-N120 VanDerWaalsContact ND2-ND2 3.19Å; N118-N120 PolarHBondContact ND2-OD1 3.41Å; N118-N120 PolarHBondContact OD1-N 3.27Å; N118-N120 PolarHBondContact OD1-OD1 3.05Å
119R78.8Confident87.8Confident61 Ų6159 Ų5923%0.2329%0.29CS..  trans-89.8-22.4175.6-169.6176.8171-121.7-4.7112.7K121 Y140 D142 A144R119-K121 HydrophobicContact CG-CB 4.14Å; R119-K121 PolarHBondContact O-N 3.48Å; R119-Y140 HydrophobicContact CB-CE1 4.08Å; R119-Y140 HydrophobicContact CG-CE1 4.48Å; R119-D142 IonicContact CZ-OD1 3.36Å; R119-D142 IonicContact CZ-OD2 3.49Å; R119-D142 VanDerWaalsContact NH1-CG 3.31Å; R119-D142 IonicContact NH1-OD1 3.61Å; R119-D142 PolarHBondContact NH1-OD1 3.1Å; R119-D142 IonicContact NH1-OD2 3.32Å; R119-D142 PolarHBondContact NH1-OD2 3.15Å; R119-D142 IonicContact NH2-OD1 3.19Å; R119-D142 PolarHBondContact NH2-OD1 2.7Å; R119-D142 IonicContact NH2-OD2 2.76Å; R119-D142 PolarHBondContact NH2-OD2 2.93Å; R119-A144 VanDerWaalsContact NH2-CB 3.3Å
120N78.4Confident88.9Confident122 Ų12258.6 Ų58.665%0.65228%0.283SS*.  trans44.430.1-180-79.6-29.2000115.4N118N118-N120 VanDerWaalsContact CG-CG 3.41Å; N118-N120 VanDerWaalsContact ND2-CG 3.26Å; N118-N120 PolarHBondContact ND2-ND2 3.17Å; N118-N120 VanDerWaalsContact ND2-ND2 3.19Å; N118-N120 PolarHBondContact ND2-OD1 3.41Å; N118-N120 PolarHBondContact OD1-N 3.27Å; N118-N120 PolarHBondContact OD1-OD1 3.05Å
121K83Confident89.1Confident136 Ų13659.5 Ų59.559%0.59129%0.29SS*.SBendtrans-125.9-35.9-173.7-170.2-179.5172.6-164.20113.5R119 E159R119-K121 HydrophobicContact CG-CB 4.14Å; R119-K121 PolarHBondContact O-N 3.48Å; K121-E159 IonicContact NZ-OE1 3.72Å
122S88Confident89.1Confident18 Ų1862.9 Ų62.913%0.12631%0.309CS..SBendtrans-155154.3-175.2-179.30000109.7E141 D142S122-E141 PolarHBondContact OG-N 3.06Å; S122-D142 VanDerWaalsContact CB-CG 3.46Å; S122-D142 PolarHBondContact OG-N 3.34Å; S122-D142 VanDerWaalsContact OG-N 3.14Å
123V90.9Very high89.2Confident37 Ų3756.6 Ų56.622%0.22429%0.285CS..  trans-68.9140.5174.3-166.70000110.3Q91 Y140 E141Q91-V123 VanDerWaalsContact O-CG2 3.28Å; Q91-V123 WeakPolarHBondContact O-CG2 3.33Å; V123-Y140 WeakPolarHBondContact O-CA 3.02Å; V123-E141 PolarHBondContact O-N 3.37Å
124V93.1Very high89.3Confident1 Ų156.7 Ų56.71%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-80.7117.9168.1177.70000107.8I95 M127 I138 Y140I95-V124 HydrophobicContact CD1-CG2 3.87Å; I95-V124 HydrophobicContact CG1-CG2 4.02Å; V124-M127 HydrophobicContact CG1-CG 3.66Å; V124-M127 HydrophobicContact CG1-SD 4.16Å; V124-I138 HydrophobicContact CG1-CG2 3.93Å; V124-I138 HydrophobicContact CG2-CG2 4.22Å; V124-Y140 HydrophobicContact CG2-CD1 3.77Å; V124-Y140 HydrophobicContact CG2-CE1 3.4Å; V124-Y140 VanDerWaalsContact CG2-CE1 3.4Å
125R92.1Very high89.6Confident114 Ų11455.1 Ų55.143%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-90.6-31.1-178.6-66.8-63.3-114.6119-1.6113V139 E141R125-V139 PolarHBondContact N-O 2.94Å; R125-E141 HydrophobicContact CG-CB 3.72Å; R125-E141 HydrophobicContact CG-CG 4.26Å; R125-E141 IonicContact CZ-OE1 2.79Å; R125-E141 IonicContact NE-OE1 3.03Å; R125-E141 PolarHBondContact NE-OE1 3.13Å; R125-E141 IonicContact NH2-OE1 3.07Å
126S93.4Very high89.9Confident15 Ų1552.4 Ų52.411%0.10526%0.264CS..EExtended strand (participates in β ladder)trans-157.9151.2179.4-172.30000111.6V139 V168S126-V139 WeakPolarHBondContact O-CG2 3.34Å; S126-V139 PolarHBondContact O-N 3.48Å; S126-V168 PolarHBondContact OG-N 3.13Å
127M95.3Very high90.2Very high11 Ų1148 Ų485%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-138.1138.3176.1-67.2-172.5-7200109.1V76 T78 T87 I95 V124 I136 C137 I138V76-M127 HydrophobicContact CB-CE 3.86Å; V76-M127 HydrophobicContact CG1-CB 4.06Å; V76-M127 HydrophobicContact CG1-CE 3.72Å; V76-M127 HydrophobicContact CG1-CG 4.31Å; T78-M127 HydrophobicContact CG2-CB 4.02Å; T87-M127 HydrophobicContact CG2-CE 4.06Å; T87-M127 HydrophobicContact CG2-SD 3.88Å; I95-M127 HydrophobicContact CD1-SD 4.31Å; I95-M127 HydrophobicContact CG2-SD 4.2Å; V124-M127 HydrophobicContact CG1-CG 3.66Å; V124-M127 HydrophobicContact CG1-SD 4.16Å; M127-I136 HydrophobicContact CB-CD1 4.34Å; M127-I136 HydrophobicContact SD-CD1 4.35Å; M127-C137 WeakPolarHBondContact CA-O 3.49Å; M127-I138 HydrophobicContact CG-CB 4.47Å; M127-I138 HydrophobicContact CG-CG1 4.21Å; M127-I138 HydrophobicContact CG-CG2 4.18Å; M127-I138 HydrophobicContact SD-CG1 4.34Å
128S94.6Very high90.5Very high24 Ų2445.2 Ų45.217%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-142.7126.5179.1-1730000110.5C137 W170S128-C137 PolarHBondContact N-O 3.06Å; S128-C137 PolarHBondContact O-N 3.07Å; S128-W170 PolarHBondContact O-NE1 3.15Å
129W94Very high91Very high27 Ų2741.9 Ų41.910%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-78.5144.3168-72.198.6000110N80 T87 K135 I136 V150N80-W129 HydrophobicContact CB-CD2 3.91Å; N80-W129 HydrophobicContact CB-CE3 4.45Å; N80-W129 HydrophobicContact CB-CG 4.22Å; N80-W129 HydrophobicContact CB-CZ2 4.07Å; N80-W129 WeakPolarHBondContact ND2-CH2 3.11Å; N80-W129 WeakPolarHBondContact ND2-CZ3 3.42Å; T87-W129 WeakPolarHBondContact OG1-CZ2 3.34Å; W129-K135 WeakPolarHBondContact CA-O 3.33Å; W129-I136 HydrophobicContact CD2-CB 3.79Å; W129-I136 HydrophobicContact CD2-CD1 4.25Å; W129-I136 HydrophobicContact CD2-CG1 4.18Å; W129-I136 HydrophobicContact CE3-CB 3.69Å; W129-I136 HydrophobicContact CH2-CB 3.91Å; W129-I136 HydrophobicContact CH2-CG2 3.99Å; W129-I136 HydrophobicContact CZ2-CB 4.02Å; W129-I136 HydrophobicContact CZ2-CD1 3.83Å; W129-I136 HydrophobicContact CZ2-CG1 4.42Å; W129-I136 HydrophobicContact CZ2-CG2 4.35Å; W129-I136 HydrophobicContact CZ3-CB 3.74Å; W129-I136 HydrophobicContact CZ3-CG2 4.1Å; W129-V150 HydrophobicContact CH2-CB 4.43Å; W129-V150 HydrophobicContact CH2-CG2 4.32Å; W129-V150 HydrophobicContact CZ3-CB 4.16Å; W129-V150 HydrophobicContact CZ3-CG2 4.35Å
130N92.6Very high91.7Very high13 Ų1339 Ų397%0.0720%0.198CC..  trans-70.4164.117180.2-39.2000110.7D132 G133 Q134 K135 W170N130-D132 PolarHBondContact O-N 3.03Å; N130-G133 PolarHBondContact O-N 2.96Å; N130-G133 PolarHBondContact OD1-N 3.03Å; N130-G133 VanDerWaalsContact OD1-N 3.07Å; N130-Q134 PolarHBondContact OD1-N 3.42Å; N130-K135 HydrophobicContact CB-CB 4.34Å; N130-K135 PolarHBondContact N-O 3.19Å; N130-K135 PolarHBondContact OD1-N 2.94Å; N130-K135 PolarHBondContact OD1-O 2.86Å; N130-W170 HydrophobicContact CB-CD2 3.82Å; N130-W170 HydrophobicContact CB-CE3 4.18Å; N130-W170 HydrophobicContact CB-CG 4.03Å
131A88.4Confident92.3Very high42 Ų4236.4 Ų36.435%0.34718%0.182SC..THydrogen-bonded Turntrans-58.7-27.3-175.400000113.6R82 P172 S174R82-A131 PolarHBondContact NE-O 2.91Å; R82-A131 VanDerWaalsContact NE-O 3.17Å; R82-A131 PolarHBondContact NH2-O 3.08Å; A131-P172 WeakPolarHBondContact CB-O 3.05Å; A131-S174 PolarHBondContact N-OG 2.81Å
132D88.6Confident92.7Very high75 Ų7532.6 Ų32.640%0.40117%0.168SC..THydrogen-bonded Turntrans-85.6-5.5176.7-65.9-34000115.6R82 N130 Q134R82-D132 WeakPolarHBondContact CD-O 3.48Å; R82-D132 VanDerWaalsContact CZ-CA 3.44Å; R82-D132 IonicContact CZ-OD1 3.51Å; R82-D132 IonicContact NH1-OD1 2.99Å; R82-D132 PolarHBondContact NH1-OD1 2.66Å; R82-D132 IonicContact NH2-OD1 3.7Å; R82-D132 PolarHBondContact NH2-OD1 3.07Å; N130-D132 PolarHBondContact O-N 3.03Å; D132-Q134 HydrophobicContact CB-CG 4.26Å; D132-Q134 PolarHBondContact O-N 3.38Å; D132-Q134 VanDerWaalsContact O-N 3.17Å
133G91Very high92.8Very high4 Ų431.7 Ų31.74%0.04116%0.162CC..SBendtrans6610.3-178.400000114.5N80 N83 N130N80-G133 PolarHBondContact ND2-O 2.93Å; N80-G133 WeakPolarHBondContact OD1-CA 3.25Å; N83-G133 PolarHBondContact ND2-O 3.46Å; N130-G133 PolarHBondContact O-N 2.96Å; N130-G133 PolarHBondContact OD1-N 3.03Å; N130-G133 VanDerWaalsContact OD1-N 3.07Å
134Q93.6Very high92.9Very high94 Ų9430.3 Ų30.344%0.43915%0.154SC..SBendtrans-90-24.3-177.4-67.3-59.7-32.800113N130 D132 S149 V150N130-Q134 PolarHBondContact OD1-N 3.42Å; D132-Q134 HydrophobicContact CB-CG 4.26Å; D132-Q134 PolarHBondContact O-N 3.38Å; D132-Q134 VanDerWaalsContact O-N 3.17Å; Q134-S149 CarbonylContact O-C 3.54Å; Q134-S149 VanDerWaalsContact O-CA 3.29Å; Q134-S149 WeakPolarHBondContact O-CA 3.44Å; Q134-V150 PolarHBondContact O-N 3.46Å
135K94.5Very high93Very high61 Ų6130.4 Ų30.427%0.26515%0.154SC..EExtended strand (participates in β ladder)trans-128.7139.6-177.9-55.4-174.9-178174.50110.3W129 N130 V147 G148 I155 W170W129-K135 WeakPolarHBondContact CA-O 3.33Å; N130-K135 HydrophobicContact CB-CB 4.34Å; N130-K135 PolarHBondContact N-O 3.19Å; N130-K135 PolarHBondContact OD1-N 2.94Å; N130-K135 PolarHBondContact OD1-O 2.86Å; K135-V147 HydrophobicContact CB-CG1 4.31Å; K135-G148 CarbonylContact C-O 3.46Å; K135-G148 VanDerWaalsContact CA-O 3.25Å; K135-G148 WeakPolarHBondContact CA-O 3.49Å; K135-I155 HydrophobicContact CB-CD1 4.31Å; K135-I155 HydrophobicContact CD-CD1 3.7Å; K135-I155 HydrophobicContact CG-CD1 3.59Å; K135-W170 HydrophobicContact CB-CZ2 4.31Å
136I95.4Very high93.1Very high11 Ų1126.4 Ų26.46%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-116.9135.2170.4-175.3170.8000109.3T78 T87 M127 W129 I138 V147 G148T78-I136 HydrophobicContact CG2-CD1 4.5Å; T87-I136 HydrophobicContact CG2-CD1 3.98Å; M127-I136 HydrophobicContact CB-CD1 4.34Å; M127-I136 HydrophobicContact SD-CD1 4.35Å; W129-I136 HydrophobicContact CD2-CB 3.79Å; W129-I136 HydrophobicContact CD2-CD1 4.25Å; W129-I136 HydrophobicContact CD2-CG1 4.18Å; W129-I136 HydrophobicContact CE3-CB 3.69Å; W129-I136 HydrophobicContact CH2-CB 3.91Å; W129-I136 HydrophobicContact CH2-CG2 3.99Å; W129-I136 HydrophobicContact CZ2-CB 4.02Å; W129-I136 HydrophobicContact CZ2-CD1 3.83Å; W129-I136 HydrophobicContact CZ2-CG1 4.42Å; W129-I136 HydrophobicContact CZ2-CG2 4.35Å; W129-I136 HydrophobicContact CZ3-CB 3.74Å; W129-I136 HydrophobicContact CZ3-CG2 4.1Å; I136-I138 HydrophobicContact CD1-CG1 4.29Å; I136-I138 HydrophobicContact CG1-CG1 4.14Å; I136-V147 CarbonylContact O-C 3.54Å; I136-V147 VanDerWaalsContact O-CA 3.26Å; I136-V147 WeakPolarHBondContact O-CA 3.42Å; I136-G148 PolarHBondContact N-O 3.15Å; I136-G148 PolarHBondContact O-N 3.46Å
137C95.9Very high93.2Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-103.9130.9168.9-1700000109.4M127 S128 V147 V168 W170 L177M127-C137 WeakPolarHBondContact CA-O 3.49Å; S128-C137 PolarHBondContact N-O 3.06Å; S128-C137 PolarHBondContact O-N 3.07Å; C137-V147 HydrophobicContact CB-CG2 3.97Å; C137-V168 HydrophobicContact CB-CG2 4.09Å; C137-W170 HydrophobicContact CB-CZ2 3.95Å; C137-L177 HydrophobicContact CB-CD2 3.94Å
138I94.9Very high93.1Very high14 Ų1425.6 Ų25.67%0.07214%0.138CC..EExtended strand (participates in β ladder)trans-121.5124.2-177.5-55.5167.1000107.1I95 V124 M127 I136 Y140 V145 I146I95-I138 HydrophobicContact CD1-CD1 3.88Å; I95-I138 HydrophobicContact CD1-CG2 3.78Å; V124-I138 HydrophobicContact CG1-CG2 3.93Å; V124-I138 HydrophobicContact CG2-CG2 4.22Å; M127-I138 HydrophobicContact CG-CB 4.47Å; M127-I138 HydrophobicContact CG-CG1 4.21Å; M127-I138 HydrophobicContact CG-CG2 4.18Å; M127-I138 HydrophobicContact SD-CG1 4.34Å; I136-I138 HydrophobicContact CD1-CG1 4.29Å; I136-I138 HydrophobicContact CG1-CG1 4.14Å; I138-Y140 HydrophobicContact CG2-CD2 4.46Å; I138-Y140 HydrophobicContact CG2-CE2 3.84Å; I138-V145 WeakPolarHBondContact O-CA 3.29Å; I138-I146 PolarHBondContact N-O 2.73Å; I138-I146 PolarHBondContact O-N 3.03Å
139V94.4Very high93.1Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-115.6130.6177.6-62.10000111.2R125 S126 V145 L165 V168 F179R125-V139 PolarHBondContact N-O 2.94Å; S126-V139 WeakPolarHBondContact O-CG2 3.34Å; S126-V139 PolarHBondContact O-N 3.48Å; V139-V145 HydrophobicContact CG1-CG1 4.16Å; V139-V145 HydrophobicContact CG1-CG2 4.06Å; V139-L165 HydrophobicContact CB-CB 4.29Å; V139-L165 HydrophobicContact CB-CD1 3.99Å; V139-L165 HydrophobicContact CG1-CD1 4.17Å; V139-V168 HydrophobicContact CG1-CB 3.74Å; V139-V168 HydrophobicContact CG1-CG1 4.09Å; V139-V168 HydrophobicContact CG1-CG2 4.16Å; V139-V168 HydrophobicContact CG2-CB 3.93Å; V139-V168 HydrophobicContact CG2-CG1 3.82Å; V139-F179 HydrophobicContact CG1-CD1 4.09Å; V139-F179 HydrophobicContact CG1-CE1 4.05Å
140Y93.5Very high93Very high1 Ų124.7 Ų24.70%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-102149.2177.5-63.1-91.1000110.5R119 V123 V124 I138 D142 G143 A144 I146R119-Y140 HydrophobicContact CB-CE1 4.08Å; R119-Y140 HydrophobicContact CG-CE1 4.48Å; V123-Y140 WeakPolarHBondContact O-CA 3.02Å; V124-Y140 HydrophobicContact CG2-CD1 3.77Å; V124-Y140 HydrophobicContact CG2-CE1 3.4Å; V124-Y140 VanDerWaalsContact CG2-CE1 3.4Å; I138-Y140 HydrophobicContact CG2-CD2 4.46Å; I138-Y140 HydrophobicContact CG2-CE2 3.84Å; Y140-D142 WeakPolarHBondContact CB-OD1 3.47Å; Y140-D142 PolarHBondContact O-N 2.83Å; Y140-G143 PolarHBondContact O-N 3.41Å; Y140-A144 HydrophobicContact CD2-CB 3.96Å; Y140-A144 WeakPolarHBondContact CD2-O 3.23Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 PolarHBondContact N-O 2.93Å; Y140-I146 HydrophobicContact CE2-CD1 3.84Å; Y140-I146 HydrophobicContact CE2-CG1 4.13Å
141E91.9Very high92.8Very high67 Ų6729.8 Ų29.831%0.31316%0.162SC..THydrogen-bonded Turntrans-57-33.6179.4-172.1159.3-13000113.3S122 V123 R125 G143 Q164S122-E141 PolarHBondContact OG-N 3.06Å; V123-E141 PolarHBondContact O-N 3.37Å; R125-E141 HydrophobicContact CG-CB 3.72Å; R125-E141 HydrophobicContact CG-CG 4.26Å; R125-E141 IonicContact CZ-OE1 2.79Å; R125-E141 IonicContact NE-OE1 3.03Å; R125-E141 PolarHBondContact NE-OE1 3.13Å; R125-E141 IonicContact NH2-OE1 3.07Å; E141-G143 PolarHBondContact O-N 3.36Å; E141-G143 VanDerWaalsContact O-N 3.16Å; E141-Q164 WeakPolarHBondContact O-CA 3.33Å
142D91.2Very high92.7Very high55 Ų5529.3 Ų29.329%0.29416%0.162SC..THydrogen-bonded Turntrans-73.44.717873.3-20000115R119 S122 Y140 A144R119-D142 IonicContact CZ-OD1 3.36Å; R119-D142 IonicContact CZ-OD2 3.49Å; R119-D142 VanDerWaalsContact NH1-CG 3.31Å; R119-D142 IonicContact NH1-OD1 3.61Å; R119-D142 PolarHBondContact NH1-OD1 3.1Å; R119-D142 IonicContact NH1-OD2 3.32Å; R119-D142 PolarHBondContact NH1-OD2 3.15Å; R119-D142 IonicContact NH2-OD1 3.19Å; R119-D142 PolarHBondContact NH2-OD1 2.7Å; R119-D142 IonicContact NH2-OD2 2.76Å; R119-D142 PolarHBondContact NH2-OD2 2.93Å; S122-D142 VanDerWaalsContact CB-CG 3.46Å; S122-D142 PolarHBondContact OG-N 3.34Å; S122-D142 VanDerWaalsContact OG-N 3.14Å; Y140-D142 WeakPolarHBondContact CB-OD1 3.47Å; Y140-D142 PolarHBondContact O-N 2.83Å; D142-A144 WeakPolarHBondContact OD1-CB 3.48Å; D142-A144 PolarHBondContact OD1-N 3.22Å
143G90.3Very high92.8Very high0 Ų031 Ų310%017%0.171CC..SBendtrans88.33.2178.300000114.2Y140 E141 L160 S163Y140-G143 PolarHBondContact O-N 3.41Å; E141-G143 PolarHBondContact O-N 3.36Å; E141-G143 VanDerWaalsContact O-N 3.16Å; G143-L160 WeakPolarHBondContact O-CB 3.42Å; G143-L160 PolarHBondContact O-N 3Å; G143-S163 WeakPolarHBondContact CA-O 3.2Å
144A92.8Very high92.9Very high8 Ų838.6 Ų38.67%0.06620%0.198CC..EExtended strand (participates in β ladder)trans-75.8138.4171.900000111.3R119 Y140 D142R119-A144 VanDerWaalsContact NH2-CB 3.3Å; Y140-A144 HydrophobicContact CD2-CB 3.96Å; Y140-A144 WeakPolarHBondContact CD2-O 3.23Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 PolarHBondContact N-O 2.93Å; D142-A144 WeakPolarHBondContact OD1-CB 3.48Å; D142-A144 PolarHBondContact OD1-N 3.22Å
145V94.3Very high92.9Very high2 Ų237.9 Ų37.91%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-127.4134176.6-175.60000109.2I138 V139 W156 G157 K158 L160 L165 F179I138-V145 WeakPolarHBondContact O-CA 3.29Å; V139-V145 HydrophobicContact CG1-CG1 4.16Å; V139-V145 HydrophobicContact CG1-CG2 4.06Å; V145-W156 HydrophobicContact CB-CZ3 4.27Å; V145-W156 HydrophobicContact CG1-CH2 3.81Å; V145-W156 HydrophobicContact CG1-CZ3 3.91Å; V145-G157 CarbonylContact O-C 3.51Å; V145-G157 WeakPolarHBondContact O-CA 3.21Å; V145-K158 PolarHBondContact N-O 3.01Å; V145-K158 PolarHBondContact O-N 3.07Å; V145-L160 HydrophobicContact CG2-CD1 4.2Å; V145-L165 HydrophobicContact CG2-CD1 3.44Å; V145-L165 VanDerWaalsContact CG2-CD1 3.44Å; V145-F179 HydrophobicContact CG1-CE1 4.08Å; V145-F179 HydrophobicContact CG1-CE2 4.47Å; V145-F179 HydrophobicContact CG1-CZ 3.73Å; V145-F179 HydrophobicContact CG2-CE2 4.37Å; V145-F179 HydrophobicContact CG2-CZ 4.31Å
146I94.1Very high92.9Very high31 Ų3136.8 Ų36.816%0.15919%0.191CC..EExtended strand (participates in β ladder)trans-129129.8175.5-58.6179.9000108.6I138 Y140 R154I138-I146 PolarHBondContact N-O 2.73Å; I138-I146 PolarHBondContact O-N 3.03Å; Y140-I146 HydrophobicContact CE2-CD1 3.84Å; Y140-I146 HydrophobicContact CE2-CG1 4.13Å; I146-R154 HydrophobicContact CG2-CG 4.18Å
147V95.4Very high92.8Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-109.2120.6167.2177.10000108.9K135 I136 C137 I155 W156 W170 L177K135-V147 HydrophobicContact CB-CG1 4.31Å; I136-V147 CarbonylContact O-C 3.54Å; I136-V147 VanDerWaalsContact O-CA 3.26Å; I136-V147 WeakPolarHBondContact O-CA 3.42Å; C137-V147 HydrophobicContact CB-CG2 3.97Å; V147-I155 HydrophobicContact CG1-CB 4.34Å; V147-I155 HydrophobicContact CG1-CD1 4.23Å; V147-I155 WeakPolarHBondContact O-CB 3.4Å; V147-I155 PolarHBondContact O-N 3.5Å; V147-W156 HydrophobicContact CB-CD2 4.06Å; V147-W156 HydrophobicContact CB-CG 4.27Å; V147-W156 HydrophobicContact CB-CZ2 4.12Å; V147-W156 HydrophobicContact CG2-CD2 4.04Å; V147-W156 HydrophobicContact CG2-CH2 3.8Å; V147-W156 HydrophobicContact CG2-CZ2 3.24Å; V147-W156 HydrophobicContact CG2-CZ3 4.42Å; V147-W156 PolarHBondContact N-O 3.27Å; V147-W156 PolarHBondContact O-N 3.25Å; V147-W170 HydrophobicContact CG1-CH2 4.39Å; V147-W170 HydrophobicContact CG1-CZ2 4.11Å; V147-W170 HydrophobicContact CG2-CZ2 4.32Å; V147-L177 HydrophobicContact CG2-CD1 4.35Å
148G94.2Very high92.6Very high8 Ų841.5 Ų41.58%0.08222%0.218CC..EExtended strand (participates in β ladder)trans-115.9159.4179.300000112.5K135 I136 N153K135-G148 CarbonylContact C-O 3.46Å; K135-G148 VanDerWaalsContact CA-O 3.25Å; K135-G148 WeakPolarHBondContact CA-O 3.49Å; I136-G148 PolarHBondContact N-O 3.15Å; I136-G148 PolarHBondContact O-N 3.46Å; G148-N153 CarbonylContact C-O 3.53Å; G148-N153 VanDerWaalsContact CA-O 3.27Å; G148-N153 WeakPolarHBondContact CA-O 3.24Å
149S93.7Very high92.4Very high20 Ų2045.5 Ų45.514%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-82.7165.3168.977.30000111.2Q134 D151 G152 N153Q134-S149 CarbonylContact O-C 3.54Å; Q134-S149 VanDerWaalsContact O-CA 3.29Å; Q134-S149 WeakPolarHBondContact O-CA 3.44Å; S149-D151 PolarHBondContact O-N 3.43Å; S149-D151 PolarHBondContact OG-N 3.23Å; S149-G152 PolarHBondContact O-N 3.26Å; S149-N153 PolarHBondContact N-O 3.4Å; S149-N153 WeakPolarHBondContact OG-CB 3.46Å; S149-N153 PolarHBondContact OG-N 3.13Å
150V92.1Very high92.1Very high12 Ų1246.4 Ų46.47%0.07324%0.242CC..THydrogen-bonded Turntrans-58.9-26.5174.566.30000113.8N83 K85 W129 Q134 G152N83-V150 HydrophobicContact CB-CG2 4.08Å; K85-V150 HydrophobicContact CD-CG2 4.16Å; K85-V150 PolarHBondContact NZ-O 3.15Å; W129-V150 HydrophobicContact CH2-CB 4.43Å; W129-V150 HydrophobicContact CH2-CG2 4.32Å; W129-V150 HydrophobicContact CZ3-CB 4.16Å; W129-V150 HydrophobicContact CZ3-CG2 4.35Å; Q134-V150 PolarHBondContact O-N 3.46Å; V150-G152 VanDerWaalsContact C-N 3.28Å; V150-G152 PolarHBondContact O-N 3.41Å
151D89Confident91.4Very high120 Ų12054.8 Ų54.864%0.64228%0.278SS*.THydrogen-bonded Turntrans-84.20.1177.7-46.8-57.1000113.2S149S149-D151 PolarHBondContact O-N 3.43Å; S149-D151 PolarHBondContact OG-N 3.23Å
152G86.1Confident90.7Very high33 Ų3355.9 Ų55.934%0.3431%0.307SS..SBendtrans90.31.7-179.800000115.3M115 S149 V150M115-G152 VanDerWaalsContact SD-CA 3.57Å; S149-G152 PolarHBondContact O-N 3.26Å; V150-G152 VanDerWaalsContact C-N 3.28Å; V150-G152 PolarHBondContact O-N 3.41Å
153N91.3Very high90.4Very high110 Ų11055.1 Ų55.159%0.58831%0.306SS*.  trans-74.2131.9177.1-66.3-42.9000110.9G148 S149 I155G148-N153 CarbonylContact C-O 3.53Å; G148-N153 VanDerWaalsContact CA-O 3.27Å; G148-N153 WeakPolarHBondContact CA-O 3.24Å; S149-N153 PolarHBondContact N-O 3.4Å; S149-N153 WeakPolarHBondContact OG-CB 3.46Å; S149-N153 PolarHBondContact OG-N 3.13Å; N153-I155 PolarHBondContact O-N 3.17Å
154R92.2Very high90.4Very high164 Ų16461.2 Ų61.262%0.61934%0.335SS*.EExtended strand (participates in β ladder)trans-72.6119.6173.2-178.3174.1175.9-173-5.6110I146 G157I146-R154 HydrophobicContact CG2-CG 4.18Å; R154-G157 VanDerWaalsContact NH2-CA 3.28Å; R154-G157 PolarHBondContact NH2-O 3.12Å
155I93.1Very high90.3Very high78 Ų7861 Ų6140%0.433%0.332SS..EExtended strand (participates in β ladder)trans-82-52.4176.5-56.5178.4000109.3K135 V147 N153K135-I155 HydrophobicContact CB-CD1 4.31Å; K135-I155 HydrophobicContact CD-CD1 3.7Å; K135-I155 HydrophobicContact CG-CD1 3.59Å; V147-I155 HydrophobicContact CG1-CB 4.34Å; V147-I155 HydrophobicContact CG1-CD1 4.23Å; V147-I155 WeakPolarHBondContact O-CB 3.4Å; V147-I155 PolarHBondContact O-N 3.5Å; N153-I155 PolarHBondContact O-N 3.17Å
156W94.9Very high90.2Very high38 Ų3861.3 Ų61.314%0.14434%0.335CS..EExtended strand (participates in β ladder)trans-154.9167172.162.3-100.3000110.8V145 V147 K158 L177 F179 N191V145-W156 HydrophobicContact CB-CZ3 4.27Å; V145-W156 HydrophobicContact CG1-CH2 3.81Å; V145-W156 HydrophobicContact CG1-CZ3 3.91Å; V147-W156 HydrophobicContact CB-CD2 4.06Å; V147-W156 HydrophobicContact CB-CG 4.27Å; V147-W156 HydrophobicContact CB-CZ2 4.12Å; V147-W156 HydrophobicContact CG2-CD2 4.04Å; V147-W156 HydrophobicContact CG2-CH2 3.8Å; V147-W156 HydrophobicContact CG2-CZ2 3.24Å; V147-W156 HydrophobicContact CG2-CZ3 4.42Å; V147-W156 PolarHBondContact N-O 3.27Å; V147-W156 PolarHBondContact O-N 3.25Å; W156-K158 HydrophobicContact CE3-CB 4.28Å; W156-K158 HydrophobicContact CZ3-CB 3.95Å; W156-L177 HydrophobicContact CH2-CD1 4.34Å; W156-L177 HydrophobicContact CZ2-CD1 3.78Å; W156-F179 HydrophobicContact CH2-CZ 4.2Å; W156-N191 PolarHBondContact NE1-O 3.48Å
157G92.6Very high90.2Very high27 Ų2762.2 Ų62.228%0.27834%0.339SS..EExtended strand (participates in β ladder)trans-158.6149.5164.900000111.3V145 R154V145-G157 CarbonylContact O-C 3.51Å; V145-G157 WeakPolarHBondContact O-CA 3.21Å; R154-G157 VanDerWaalsContact NH2-CA 3.28Å; R154-G157 PolarHBondContact NH2-O 3.12Å
158K92.2Very high90.2Very high83 Ų8362.6 Ų62.636%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-138.4149.3-171-164.9175.2-171.6177.20109.7V145 W156 L160 G193V145-K158 PolarHBondContact N-O 3.01Å; V145-K158 PolarHBondContact O-N 3.07Å; W156-K158 HydrophobicContact CE3-CB 4.28Å; W156-K158 HydrophobicContact CZ3-CB 3.95Å; K158-L160 HydrophobicContact CD-CD2 4.11Å; K158-L160 HydrophobicContact CG-CD2 4.35Å; K158-G193 WeakPolarHBondContact CD-O 3.45Å; K158-G193 PolarHBondContact NZ-O 2.86Å
159E90.8Very high90.3Very high99 Ų9962.5 Ų62.546%0.46334%0.339SS..EExtended strand (participates in β ladder)trans-113.3112.6175.9-166.5172.6-142.900108.9K121 K161K121-E159 IonicContact NZ-OE1 3.72Å; E159-K161 PolarHBondContact O-N 2.88Å
160L88.5Confident90.3Very high18 Ų1862.1 Ų62.19%0.09434%0.335CS..  trans-88.780-179.8-58.8178.9000109.2G143 V145 K158 G162 S163 L165 F179 Y189G143-L160 WeakPolarHBondContact O-CB 3.42Å; G143-L160 PolarHBondContact O-N 3Å; V145-L160 HydrophobicContact CG2-CD1 4.2Å; K158-L160 HydrophobicContact CD-CD2 4.11Å; K158-L160 HydrophobicContact CG-CD2 4.35Å; L160-G162 PolarHBondContact O-N 3.11Å; L160-S163 PolarHBondContact O-N 3.44Å; L160-L165 HydrophobicContact CD1-CD1 4.3Å; L160-L165 HydrophobicContact CD1-CD2 4.18Å; L160-F179 HydrophobicContact CD1-CD2 4.07Å; L160-Y189 HydrophobicContact CD2-CE1 4.29Å; L160-Y189 WeakPolarHBondContact CD2-OH 3.29Å
161K79.1Confident90.3Very high178 Ų17861.8 Ų61.877%0.77433%0.333SS*.THydrogen-bonded Turntrans-57128-175-65.5-175.1179.1-178.90111.8E159 S163E159-K161 PolarHBondContact O-N 2.88Å; K161-S163 VanDerWaalsContact C-N 3.34Å
162G76.3Confident90.3Very high89 Ų8957.9 Ų57.992%0.91832%0.315SS*.THydrogen-bonded Turntrans826.7177.100000114.9L160L160-G162 PolarHBondContact O-N 3.11Å
163S84.7Confident90.4Very high40 Ų4060.3 Ų60.328%0.2832%0.319SS..  trans-117.6121.8177-58.70000110.7G143 L160 K161G143-S163 WeakPolarHBondContact CA-O 3.2Å; L160-S163 PolarHBondContact O-N 3.44Å; K161-S163 VanDerWaalsContact C-N 3.34Å
164Q90.3Very high90.4Very high128 Ų12855.8 Ų55.860%0.59830%0.296SS*.  trans-86.6121172.8-72.1-179.7-21.400109.4E141 M181 A182E141-Q164 WeakPolarHBondContact O-CA 3.33Å; Q164-M181 CarbonylContact O-C 3.56Å; Q164-M181 WeakPolarHBondContact O-CA 3.34Å; Q164-A182 HydrophobicContact CB-CB 3.75Å; Q164-A182 PolarHBondContact O-N 3.15Å
165L92.4Very high90.4Very high2 Ų254.1 Ų54.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-90.8138.1-179.4-65.9168.2000110.8V139 V145 L160 F179 M181V139-L165 HydrophobicContact CB-CB 4.29Å; V139-L165 HydrophobicContact CB-CD1 3.99Å; V139-L165 HydrophobicContact CG1-CD1 4.17Å; V145-L165 HydrophobicContact CG2-CD1 3.44Å; V145-L165 VanDerWaalsContact CG2-CD1 3.44Å; L160-L165 HydrophobicContact CD1-CD1 4.3Å; L160-L165 HydrophobicContact CD1-CD2 4.18Å; L165-F179 HydrophobicContact CD2-CB 3.94Å; L165-F179 HydrophobicContact CD2-CG 4.4Å; L165-M181 HydrophobicContact CD2-CE 4.37Å; L165-M181 HydrophobicContact CD2-SD 3.58Å; L165-M181 VanDerWaalsContact CD2-SD 3.58Å
166A92.3Very high90.4Very high10 Ų1051.2 Ų51.28%0.08328%0.279CS..EExtended strand (participates in β ladder)trans-115.6-43.4178.500000112.4G180A166-G180 PolarHBondContact N-O 2.78Å
167H93.6Very high90.4Very high49 Ų4949.4 Ų49.423%0.22727%0.272CS..EExtended strand (participates in β ladder)trans-137.4152.1-173.7-77.5-83.9000113G180 L213 I216H167-G180 PolarHBondContact N-O 2.59Å; H167-G180 VanDerWaalsContact N-O 3.15Å; H167-G180 PolarHBondContact O-N 3.16Å; H167-L213 PolarHBondContact NE2-O 3.39Å; H167-I216 HydrophobicContact CB-CD1 4.03Å; H167-I216 HydrophobicContact CB-CG1 4.31Å
168V95.5Very high90.5Very high8 Ų848.1 Ų48.15%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-133.7140.8168.364.40000111.5S126 C137 V139 L177 L178 F179S126-V168 PolarHBondContact OG-N 3.13Å; C137-V168 HydrophobicContact CB-CG2 4.09Å; V139-V168 HydrophobicContact CG1-CB 3.74Å; V139-V168 HydrophobicContact CG1-CG1 4.09Å; V139-V168 HydrophobicContact CG1-CG2 4.16Å; V139-V168 HydrophobicContact CG2-CB 3.93Å; V139-V168 HydrophobicContact CG2-CG1 3.82Å; V168-L177 HydrophobicContact CG2-CD2 3.95Å; V168-L178 WeakPolarHBondContact CA-O 3.19Å; V168-F179 HydrophobicContact CB-CD1 4.3Å; V168-F179 HydrophobicContact CG2-CD1 3.81Å; V168-F179 HydrophobicContact CG2-CE1 3.68Å
169A94.9Very high90.7Very high6 Ų644.3 Ų44.35%0.0524%0.242CC..EExtended strand (participates in β ladder)trans-142.9133.7170.600000111.2L178 I216A169-L178 PolarHBondContact N-O 3.25Å; A169-L178 VanDerWaalsContact N-O 3.11Å; A169-L178 PolarHBondContact O-N 3.03Å; A169-I216 HydrophobicContact CB-CB 4.4Å; A169-I216 HydrophobicContact CB-CG2 3.82Å
170W94.1Very high90.9Very high13 Ų1339.6 Ų39.65%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-78.4143.8168.4-75.495.2000110.9S128 N130 K135 C137 V147 L177 N191S128-W170 PolarHBondContact O-NE1 3.15Å; N130-W170 HydrophobicContact CB-CD2 3.82Å; N130-W170 HydrophobicContact CB-CE3 4.18Å; N130-W170 HydrophobicContact CB-CG 4.03Å; K135-W170 HydrophobicContact CB-CZ2 4.31Å; C137-W170 HydrophobicContact CB-CZ2 3.95Å; V147-W170 HydrophobicContact CG1-CH2 4.39Å; V147-W170 HydrophobicContact CG1-CZ2 4.11Å; V147-W170 HydrophobicContact CG2-CZ2 4.32Å; W170-L177 HydrophobicContact CD2-CD2 3.39Å; W170-L177 HydrophobicContact CD2-CG 4.02Å; W170-L177 VanDerWaalsContact CE2-CD2 3.43Å; W170-L177 HydrophobicContact CE3-CD2 3.73Å; W170-L177 HydrophobicContact CE3-CG 3.81Å; W170-L177 HydrophobicContact CG-CD2 3.81Å; W170-L177 HydrophobicContact CH2-CD1 3.76Å; W170-L177 HydrophobicContact CH2-CD2 4.11Å; W170-L177 HydrophobicContact CH2-CG 3.95Å; W170-L177 HydrophobicContact CZ2-CD1 4.01Å; W170-L177 HydrophobicContact CZ2-CD2 3.81Å; W170-L177 HydrophobicContact CZ2-CG 4.16Å; W170-L177 HydrophobicContact CZ3-CD1 4.05Å; W170-L177 HydrophobicContact CZ3-CD2 4.08Å; W170-L177 HydrophobicContact CZ3-CG 3.78Å; W170-N191 HydrophobicContact CH2-CB 4.41Å; W170-N191 HydrophobicContact CZ3-CB 3.94Å
171S92.4Very high91Very high4 Ų439 Ų393%0.02822%0.217CC..  trans-64.4151.6164.458.60000111.3D173 S174 K175 I176S171-D173 VanDerWaalsContact CB-OD1 3.29Å; S171-D173 WeakPolarHBondContact CB-OD1 3.32Å; S171-D173 PolarHBondContact O-N 2.51Å; S171-D173 VanDerWaalsContact O-N 3.14Å; S171-D173 PolarHBondContact OG-OD1 3.39Å; S171-S174 PolarHBondContact O-N 3.4Å; S171-S174 PolarHBondContact OG-N 2.71Å; S171-K175 PolarHBondContact OG-N 3.04Å; S171-I176 PolarHBondContact N-O 3.3Å; S171-I176 WeakPolarHBondContact OG-CG1 3.47Å; S171-I176 PolarHBondContact OG-N 3.09Å; S171-I176 VanDerWaalsContact OG-N 3.07Å; S171-I176 PolarHBondContact OG-O 3.48Å
172P88.6Confident91.5Very high39 Ų3932.4 Ų32.425%0.25320%0.196SC..THydrogen-bonded Turntrans-53.9-31.6175.5-3138.2000114.6A131 S174 W218 A220A131-P172 WeakPolarHBondContact CB-O 3.05Å; P172-S174 VanDerWaalsContact C-N 3.32Å; P172-W218 HydrophobicContact CG-CB 4.11Å; P172-W218 HydrophobicContact CG-CD2 4.23Å; P172-W218 HydrophobicContact CG-CE3 3.94Å; P172-W218 HydrophobicContact CG-CG 4.34Å; P172-A220 HydrophobicContact CB-CB 4.2Å; P172-A220 HydrophobicContact CG-CB 4.5Å
173D88.4Confident92.1Very high83 Ų8333.1 Ų33.144%0.44418%0.178SC..THydrogen-bonded Turntrans-882.9178.574.6-15.3000113.9S171 K175S171-D173 VanDerWaalsContact CB-OD1 3.29Å; S171-D173 WeakPolarHBondContact CB-OD1 3.32Å; S171-D173 PolarHBondContact O-N 2.51Å; S171-D173 VanDerWaalsContact O-N 3.14Å; S171-D173 PolarHBondContact OG-OD1 3.39Å; D173-K175 HydrophobicContact CB-CG 4.46Å; D173-K175 PolarHBondContact O-N 3.32Å; D173-K175 VanDerWaalsContact O-N 3.16Å; D173-K175 PolarHBondContact OD1-N 2.84Å; D173-K175 VanDerWaalsContact OD1-N 3.15Å; D173-K175 WeakPolarHBondContact OD2-CD 3.4Å; D173-K175 VanDerWaalsContact OD2-CE 3.25Å; D173-K175 WeakPolarHBondContact OD2-CE 3.38Å; D173-K175 WeakPolarHBondContact OD2-CG 3.32Å; D173-K175 IonicContact OD2-NZ 3.81Å; D173-K175 PolarHBondContact OD2-NZ 2.91Å
174S91.1Very high92.2Very high15 Ų1531.4 Ų31.411%0.10517%0.167CC..SBendtrans58.319.6-179-54.70000115.4A131 S171 P172A131-S174 PolarHBondContact N-OG 2.81Å; S171-S174 PolarHBondContact O-N 3.4Å; S171-S174 PolarHBondContact OG-N 2.71Å; P172-S174 VanDerWaalsContact C-N 3.32Å
175K91.8Very high92.3Very high129 Ų12928.2 Ų28.256%0.56115%0.152SC*.SBendtrans-90-32.6179.7-65.5-170.9-157.8125.20113.8S171 D173 N191S171-K175 PolarHBondContact OG-N 3.04Å; D173-K175 HydrophobicContact CB-CG 4.46Å; D173-K175 PolarHBondContact O-N 3.32Å; D173-K175 VanDerWaalsContact O-N 3.16Å; D173-K175 PolarHBondContact OD1-N 2.84Å; D173-K175 VanDerWaalsContact OD1-N 3.15Å; D173-K175 WeakPolarHBondContact OD2-CD 3.4Å; D173-K175 VanDerWaalsContact OD2-CE 3.25Å; D173-K175 WeakPolarHBondContact OD2-CE 3.38Å; D173-K175 WeakPolarHBondContact OD2-CG 3.32Å; D173-K175 IonicContact OD2-NZ 3.81Å; D173-K175 PolarHBondContact OD2-NZ 2.91Å; K175-N191 WeakPolarHBondContact O-CB 3.38Å; K175-N191 PolarHBondContact O-N 3.2Å
176I94.5Very high92.4Very high18 Ų1828.1 Ų28.19%0.09215%0.152CC..EExtended strand (participates in β ladder)trans-125.7158.7-176.765.5171.2000112.1S171 I188 Y189 I196 E248S171-I176 PolarHBondContact N-O 3.3Å; S171-I176 WeakPolarHBondContact OG-CG1 3.47Å; S171-I176 PolarHBondContact OG-N 3.09Å; S171-I176 VanDerWaalsContact OG-N 3.07Å; S171-I176 PolarHBondContact OG-O 3.48Å; I176-I188 HydrophobicContact CB-CG2 4.17Å; I176-I188 HydrophobicContact CD1-CG2 4.05Å; I176-I188 HydrophobicContact CG2-CG2 4.44Å; I176-Y189 CarbonylContact C-O 3.59Å; I176-Y189 VanDerWaalsContact CA-O 3.23Å; I176-Y189 WeakPolarHBondContact CA-O 3.48Å; I176-Y189 WeakPolarHBondContact CB-O 3.4Å; I176-I196 HydrophobicContact CG2-CD1 3.97Å; I176-E248 HydrophobicContact CD1-CB 4.07Å; I176-E248 HydrophobicContact CD1-CG 3.89Å
177L94.6Very high92.5Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4130.8177.1-83165.6000109.2C137 V147 W156 V168 W170 F179 Y189C137-L177 HydrophobicContact CB-CD2 3.94Å; V147-L177 HydrophobicContact CG2-CD1 4.35Å; W156-L177 HydrophobicContact CH2-CD1 4.34Å; W156-L177 HydrophobicContact CZ2-CD1 3.78Å; V168-L177 HydrophobicContact CG2-CD2 3.95Å; W170-L177 HydrophobicContact CD2-CD2 3.39Å; W170-L177 HydrophobicContact CD2-CG 4.02Å; W170-L177 VanDerWaalsContact CE2-CD2 3.43Å; W170-L177 HydrophobicContact CE3-CD2 3.73Å; W170-L177 HydrophobicContact CE3-CG 3.81Å; W170-L177 HydrophobicContact CG-CD2 3.81Å; W170-L177 HydrophobicContact CH2-CD1 3.76Å; W170-L177 HydrophobicContact CH2-CD2 4.11Å; W170-L177 HydrophobicContact CH2-CG 3.95Å; W170-L177 HydrophobicContact CZ2-CD1 4.01Å; W170-L177 HydrophobicContact CZ2-CD2 3.81Å; W170-L177 HydrophobicContact CZ2-CG 4.16Å; W170-L177 HydrophobicContact CZ3-CD1 4.05Å; W170-L177 HydrophobicContact CZ3-CD2 4.08Å; W170-L177 HydrophobicContact CZ3-CG 3.78Å; L177-F179 HydrophobicContact CB-CE1 4.12Å; L177-F179 HydrophobicContact CB-CZ 4.11Å; L177-F179 HydrophobicContact CD1-CE1 4.4Å; L177-F179 HydrophobicContact CD1-CZ 4.07Å; L177-F179 HydrophobicContact CD2-CE1 4.43Å; L177-Y189 PolarHBondContact N-O 3.31Å; L177-Y189 PolarHBondContact O-N 3.04Å
178L95.3Very high92.5Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-97.8120.6170.8-57.9-175000109V168 A169 V186 I188 M199 I216 W218 L233V168-L178 WeakPolarHBondContact CA-O 3.19Å; A169-L178 PolarHBondContact N-O 3.25Å; A169-L178 VanDerWaalsContact N-O 3.11Å; A169-L178 PolarHBondContact O-N 3.03Å; L178-V186 HydrophobicContact CB-CG1 4.25Å; L178-I188 HydrophobicContact CD2-CB 4.38Å; L178-I188 HydrophobicContact CD2-CG1 3.78Å; L178-I188 HydrophobicContact CD2-CG2 4.27Å; L178-M199 HydrophobicContact CD1-CE 4.19Å; L178-M199 HydrophobicContact CD2-CE 3.7Å; L178-I216 HydrophobicContact CB-CG2 4.48Å; L178-I216 HydrophobicContact CD1-CG2 3.87Å; L178-W218 HydrophobicContact CD1-CZ2 3.94Å; L178-W218 VanDerWaalsContact CD1-NE1 3.32Å; L178-L233 HydrophobicContact CD1-CD1 3.83Å; L178-L233 HydrophobicContact CD1-CD2 4Å
179F95.6Very high92.5Very high2 Ų227 Ų271%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-105.2113.9170.5-63.7-31.4000109.8V139 V145 W156 L160 L165 V168 L177 V186 H187 Y189V139-F179 HydrophobicContact CG1-CD1 4.09Å; V139-F179 HydrophobicContact CG1-CE1 4.05Å; V145-F179 HydrophobicContact CG1-CE1 4.08Å; V145-F179 HydrophobicContact CG1-CE2 4.47Å; V145-F179 HydrophobicContact CG1-CZ 3.73Å; V145-F179 HydrophobicContact CG2-CE2 4.37Å; V145-F179 HydrophobicContact CG2-CZ 4.31Å; W156-F179 HydrophobicContact CH2-CZ 4.2Å; L160-F179 HydrophobicContact CD1-CD2 4.07Å; L165-F179 HydrophobicContact CD2-CB 3.94Å; L165-F179 HydrophobicContact CD2-CG 4.4Å; V168-F179 HydrophobicContact CB-CD1 4.3Å; V168-F179 HydrophobicContact CG2-CD1 3.81Å; V168-F179 HydrophobicContact CG2-CE1 3.68Å; L177-F179 HydrophobicContact CB-CE1 4.12Å; L177-F179 HydrophobicContact CB-CZ 4.11Å; L177-F179 HydrophobicContact CD1-CE1 4.4Å; L177-F179 HydrophobicContact CD1-CZ 4.07Å; L177-F179 HydrophobicContact CD2-CE1 4.43Å; F179-V186 WeakPolarHBondContact O-CA 3.4Å; F179-H187 PolarHBondContact N-O 3.4Å; F179-H187 PolarHBondContact O-N 3.47Å; F179-Y189 HydrophobicContact CB-CE2 4.5Å; F179-Y189 HydrophobicContact CD2-CD1 4.38Å; F179-Y189 AromaticContact CD2-CD2 3.2Å; F179-Y189 HydrophobicContact CD2-CD2 3.2Å; F179-Y189 HydrophobicContact CD2-CE1 4.49Å; F179-Y189 AromaticContact CD2-CE2 3.35Å; F179-Y189 HydrophobicContact CD2-CE2 3.35Å; F179-Y189 AromaticContact CD2-CG 3.78Å; F179-Y189 HydrophobicContact CD2-CG 3.78Å; F179-Y189 AromaticContact CE2-CD1 3.98Å; F179-Y189 HydrophobicContact CE2-CD1 3.98Å; F179-Y189 AromaticContact CE2-CD2 3.52Å; F179-Y189 HydrophobicContact CE2-CD2 3.52Å; F179-Y189 HydrophobicContact CE2-CE1 4.34Å; F179-Y189 AromaticContact CE2-CE2 3.94Å; F179-Y189 HydrophobicContact CE2-CE2 3.94Å; F179-Y189 AromaticContact CE2-CG 3.55Å; F179-Y189 HydrophobicContact CE2-CG 3.55Å; F179-Y189 HydrophobicContact CG-CD2 4.14Å; F179-Y189 HydrophobicContact CG-CE2 4.35Å
180G94.1Very high92.4Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-88.6124.1173.200000110.7A166 H167 L213A166-G180 PolarHBondContact N-O 2.78Å; H167-G180 PolarHBondContact N-O 2.59Å; H167-G180 VanDerWaalsContact N-O 3.15Å; H167-G180 PolarHBondContact O-N 3.16Å; G180-L213 VanDerWaalsContact CA-CD1 3.44Å
181M92.4Very high92.3Very high6 Ų630.3 Ų30.33%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-89.3155.3179.2-58.5-61.2-161.800111.2Q164 L165 N183 G184 E185 H187Q164-M181 CarbonylContact O-C 3.56Å; Q164-M181 WeakPolarHBondContact O-CA 3.34Å; L165-M181 HydrophobicContact CD2-CE 4.37Å; L165-M181 HydrophobicContact CD2-SD 3.58Å; L165-M181 VanDerWaalsContact CD2-SD 3.58Å; M181-N183 WeakPolarHBondContact CB-OD1 3.17Å; M181-N183 PolarHBondContact O-N 3.45Å; M181-G184 PolarHBondContact O-N 3.06Å; M181-G184 VanDerWaalsContact O-N 3.09Å; M181-E185 HydrophobicContact CB-CB 4.27Å; M181-E185 WeakPolarHBondContact CB-O 3.33Å; M181-E185 HydrophobicContact CG-CB 4.24Å; M181-E185 PolarHBondContact N-O 2.98Å; M181-H187 WeakPolarHBondContact CE-ND1 3.11Å
182A89.6Confident92.2Very high39 Ų3936.4 Ų36.432%0.32219%0.19SC..THydrogen-bonded Turntrans-63.7-21.617800000113.6Q164 G184Q164-A182 HydrophobicContact CB-CB 3.75Å; Q164-A182 PolarHBondContact O-N 3.15Å; A182-G184 VanDerWaalsContact C-N 3.27Å; A182-G184 PolarHBondContact O-N 2.84Å
183N87.5Confident92.2Very high104 Ų10434.6 Ų34.656%0.55618%0.179SC*.THydrogen-bonded Turntrans-84.55.6176.469.2-7.3000113.9M181 E185M181-N183 WeakPolarHBondContact CB-OD1 3.17Å; M181-N183 PolarHBondContact O-N 3.45Å; N183-E185 WeakPolarHBondContact OD1-CB 3.45Å; N183-E185 WeakPolarHBondContact OD1-CG 3.5Å; N183-E185 PolarHBondContact OD1-N 3.29Å; N183-E185 VanDerWaalsContact OD1-N 3.11Å
184G87.9Confident92.4Very high5 Ų534.6 Ų34.65%0.05218%0.179CC..SBendtrans90.4-6.3179.900000115.1M181 A182 F237M181-G184 PolarHBondContact O-N 3.06Å; M181-G184 VanDerWaalsContact O-N 3.09Å; A182-G184 VanDerWaalsContact C-N 3.27Å; A182-G184 PolarHBondContact O-N 2.84Å; G184-F237 WeakPolarHBondContact O-CE1 3.35Å
185E91.3Very high92.6Very high60 Ų6038.7 Ų38.728%0.2820%0.195SC..  trans-74.9146.3176.8-63.1-171171.100112.3M181 N183 H187 K198M181-E185 HydrophobicContact CB-CB 4.27Å; M181-E185 WeakPolarHBondContact CB-O 3.33Å; M181-E185 HydrophobicContact CG-CB 4.24Å; M181-E185 PolarHBondContact N-O 2.98Å; N183-E185 WeakPolarHBondContact OD1-CB 3.45Å; N183-E185 WeakPolarHBondContact OD1-CG 3.5Å; N183-E185 PolarHBondContact OD1-N 3.29Å; N183-E185 VanDerWaalsContact OD1-N 3.11Å; E185-H187 IonicContact OE2-CD2 3.54Å; E185-H187 IonicContact OE2-CE1 3.31Å; E185-H187 IonicContact OE2-NE2 3.94Å; E185-H187 PolarHBondContact OE2-NE2 3.46Å; E185-K198 VanDerWaalsContact CD-CE 3.45Å; E185-K198 IonicContact OE1-NZ 2.84Å; E185-K198 PolarHBondContact OE1-NZ 2.82Å; E185-K198 IonicContact OE2-NZ 3.82Å; E185-K198 PolarHBondContact OE2-NZ 2.93Å
186V94.3Very high92.7Very high0 Ų036.7 Ų36.70%019%0.189CC..EExtended strand (participates in β ladder)trans-120.3123173.6-177.90000109.4L178 F179 M199 L213 I216 I235L178-V186 HydrophobicContact CB-CG1 4.25Å; F179-V186 WeakPolarHBondContact O-CA 3.4Å; V186-M199 HydrophobicContact CB-CB 4.19Å; V186-M199 HydrophobicContact CB-SD 4.36Å; V186-M199 HydrophobicContact CG1-CB 4.38Å; V186-M199 HydrophobicContact CG1-CE 4.46Å; V186-M199 HydrophobicContact CG1-SD 4.08Å; V186-M199 WeakPolarHBondContact O-CB 3.37Å; V186-M199 PolarHBondContact O-N 3.42Å; V186-L213 HydrophobicContact CG2-CD1 3.91Å; V186-L213 HydrophobicContact CG2-CD2 4.17Å; V186-I216 HydrophobicContact CG1-CD1 4.22Å; V186-I216 HydrophobicContact CG2-CD1 4.01Å; V186-I235 HydrophobicContact CG2-CD1 4.32Å; V186-I235 HydrophobicContact CG2-CG2 4.49Å
187H94.3Very high92.6Very high27 Ų2739.2 Ų39.213%0.12520%0.201CC..EExtended strand (participates in β ladder)trans-111.3139.9-179.3-68.4-170000110.1F179 M181 E185 Y189 F195F179-H187 PolarHBondContact N-O 3.4Å; F179-H187 PolarHBondContact O-N 3.47Å; M181-H187 WeakPolarHBondContact CE-ND1 3.11Å; E185-H187 IonicContact OE2-CD2 3.54Å; E185-H187 IonicContact OE2-CE1 3.31Å; E185-H187 IonicContact OE2-NE2 3.94Å; E185-H187 PolarHBondContact OE2-NE2 3.46Å; H187-Y189 HydrophobicContact CB-CD2 4.27Å; H187-Y189 HydrophobicContact CB-CE2 3.67Å; H187-F195 HydrophobicContact CB-CD2 4.37Å; H187-F195 HydrophobicContact CB-CE2 3.91Å; H187-F195 AromaticContact CG-CE2 3.84Å; H187-F195 AromaticContact ND1-CE2 3.73Å
188I95.3Very high92.5Very high3 Ų344.2 Ų44.22%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-103129.6-178-50.2175.8000109I176 L178 I196 M197 M199 E248I176-I188 HydrophobicContact CB-CG2 4.17Å; I176-I188 HydrophobicContact CD1-CG2 4.05Å; I176-I188 HydrophobicContact CG2-CG2 4.44Å; L178-I188 HydrophobicContact CD2-CB 4.38Å; L178-I188 HydrophobicContact CD2-CG1 3.78Å; L178-I188 HydrophobicContact CD2-CG2 4.27Å; I188-I196 HydrophobicContact CB-CB 4.5Å; I188-I196 HydrophobicContact CG2-CB 4.41Å; I188-I196 HydrophobicContact CG2-CD1 4.19Å; I188-I196 PolarHBondContact O-N 3.15Å; I188-M197 HydrophobicContact CB-CG 4.4Å; I188-M197 HydrophobicContact CD1-CG 3.84Å; I188-M197 HydrophobicContact CD1-SD 4.48Å; I188-M197 HydrophobicContact CG1-CG 4.43Å; I188-M197 PolarHBondContact N-O 3.15Å; I188-M197 PolarHBondContact O-N 3.39Å; I188-M199 HydrophobicContact CD1-CB 4.36Å; I188-M199 HydrophobicContact CD1-CE 3.87Å; I188-M199 HydrophobicContact CG1-CB 4.42Å; I188-M199 HydrophobicContact CG1-CE 4.09Å; I188-E248 HydrophobicContact CD1-CB 3.77Å; I188-E248 HydrophobicContact CD1-CG 3.98Å
189Y94.8Very high92.3Very high14 Ų1444.4 Ų44.46%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-123.8153.8177.5-74.1-105.9000110.6L160 I176 L177 F179 H187 G193 N194 F195L160-Y189 HydrophobicContact CD2-CE1 4.29Å; L160-Y189 WeakPolarHBondContact CD2-OH 3.29Å; I176-Y189 CarbonylContact C-O 3.59Å; I176-Y189 VanDerWaalsContact CA-O 3.23Å; I176-Y189 WeakPolarHBondContact CA-O 3.48Å; I176-Y189 WeakPolarHBondContact CB-O 3.4Å; L177-Y189 PolarHBondContact N-O 3.31Å; L177-Y189 PolarHBondContact O-N 3.04Å; F179-Y189 HydrophobicContact CB-CE2 4.5Å; F179-Y189 HydrophobicContact CD2-CD1 4.38Å; F179-Y189 AromaticContact CD2-CD2 3.2Å; F179-Y189 HydrophobicContact CD2-CD2 3.2Å; F179-Y189 HydrophobicContact CD2-CE1 4.49Å; F179-Y189 AromaticContact CD2-CE2 3.35Å; F179-Y189 HydrophobicContact CD2-CE2 3.35Å; F179-Y189 AromaticContact CD2-CG 3.78Å; F179-Y189 HydrophobicContact CD2-CG 3.78Å; F179-Y189 AromaticContact CE2-CD1 3.98Å; F179-Y189 HydrophobicContact CE2-CD1 3.98Å; F179-Y189 AromaticContact CE2-CD2 3.52Å; F179-Y189 HydrophobicContact CE2-CD2 3.52Å; F179-Y189 HydrophobicContact CE2-CE1 4.34Å; F179-Y189 AromaticContact CE2-CE2 3.94Å; F179-Y189 HydrophobicContact CE2-CE2 3.94Å; F179-Y189 AromaticContact CE2-CG 3.55Å; F179-Y189 HydrophobicContact CE2-CG 3.55Å; F179-Y189 HydrophobicContact CG-CD2 4.14Å; F179-Y189 HydrophobicContact CG-CE2 4.35Å; H187-Y189 HydrophobicContact CB-CD2 4.27Å; H187-Y189 HydrophobicContact CB-CE2 3.67Å; Y189-G193 WeakPolarHBondContact CD1-O 3.39Å; Y189-N194 CarbonylContact C-O 3.54Å; Y189-N194 WeakPolarHBondContact CA-O 3.43Å; Y189-N194 WeakPolarHBondContact CB-O 3.15Å; Y189-N194 VanDerWaalsContact CD1-C 3.46Å; Y189-N194 WeakPolarHBondContact CD1-O 3.42Å; Y189-F195 HydrophobicContact CD1-CB 4.19Å; Y189-F195 HydrophobicContact CD2-CD2 4.44Å; Y189-F195 HydrophobicContact CE1-CB 3.73Å; Y189-F195 HydrophobicContact CE1-CD2 4.27Å; Y189-F195 AromaticContact CE2-CD2 3.78Å; Y189-F195 HydrophobicContact CE2-CD2 3.78Å; Y189-F195 AromaticContact CZ-CD2 3.68Å
190D93.5Very high92Very high37 Ų3750 Ų5020%0.19825%0.254CS..EExtended strand (participates in β ladder)trans-75.4170168.172.89.6000111.3Q192 G193 N194 I196D190-Q192 PolarHBondContact O-N 3.31Å; D190-Q192 VanDerWaalsContact OD1-C 3.27Å; D190-Q192 VanDerWaalsContact OD1-CA 3.3Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.38Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.38Å; D190-Q192 PolarHBondContact OD1-N 3.17Å; D190-G193 PolarHBondContact O-N 3.26Å; D190-G193 VanDerWaalsContact O-N 3.08Å; D190-G193 PolarHBondContact OD1-N 2.92Å; D190-N194 PolarHBondContact N-O 2.97Å; D190-N194 PolarHBondContact OD1-N 2.79Å; D190-N194 WeakPolarHBondContact OD2-CB 3.34Å; D190-N194 PolarHBondContact OD2-ND2 3.3Å; D190-I196 HydrophobicContact CB-CD1 4.04Å; D190-I196 HydrophobicContact CB-CG1 4.4Å
191N91.1Very high91.8Very high51 Ų5151.6 Ų51.627%0.27326%0.262SS..THydrogen-bonded Turntrans-64.9-6.4177.471.117.4000114.7W156 W170 K175W156-N191 PolarHBondContact NE1-O 3.48Å; W170-N191 HydrophobicContact CH2-CB 4.41Å; W170-N191 HydrophobicContact CZ3-CB 3.94Å; K175-N191 WeakPolarHBondContact O-CB 3.38Å; K175-N191 PolarHBondContact O-N 3.2Å
192Q90.7Very high91.6Very high132 Ų13253.4 Ų53.462%0.61728%0.275SS*.THydrogen-bonded Turntrans-100.9-6.3176.8-51.8-169.9-6.200112.6D190D190-Q192 PolarHBondContact O-N 3.31Å; D190-Q192 VanDerWaalsContact OD1-C 3.27Å; D190-Q192 VanDerWaalsContact OD1-CA 3.3Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.38Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.38Å; D190-Q192 PolarHBondContact OD1-N 3.17Å
193G88.6Confident91.4Very high2 Ų252.1 Ų52.12%0.02126%0.264CS..SBendtrans88.518-179.900000114.7K158 Y189 D190K158-G193 WeakPolarHBondContact CD-O 3.45Å; K158-G193 PolarHBondContact NZ-O 2.86Å; Y189-G193 WeakPolarHBondContact CD1-O 3.39Å; D190-G193 PolarHBondContact O-N 3.26Å; D190-G193 VanDerWaalsContact O-N 3.08Å; D190-G193 PolarHBondContact OD1-N 2.92Å
194N92.9Very high91.2Very high82 Ų8249.2 Ų49.244%0.43925%0.248SC..  trans-83.4137.9169.3-54.9-53000110.4Y189 D190Y189-N194 CarbonylContact C-O 3.54Å; Y189-N194 WeakPolarHBondContact CA-O 3.43Å; Y189-N194 WeakPolarHBondContact CB-O 3.15Å; Y189-N194 VanDerWaalsContact CD1-C 3.46Å; Y189-N194 WeakPolarHBondContact CD1-O 3.42Å; D190-N194 PolarHBondContact N-O 2.97Å; D190-N194 PolarHBondContact OD1-N 2.79Å; D190-N194 WeakPolarHBondContact OD2-CB 3.34Å; D190-N194 PolarHBondContact OD2-ND2 3.3Å
195F93.8Very high90.7Very high102 Ų10252.7 Ų52.745%0.44728%0.277SS..EExtended strand (participates in β ladder)trans-74129.4177.4175.5-96.8000109.5H187 Y189 M197H187-F195 HydrophobicContact CB-CD2 4.37Å; H187-F195 HydrophobicContact CB-CE2 3.91Å; H187-F195 AromaticContact CG-CE2 3.84Å; H187-F195 AromaticContact ND1-CE2 3.73Å; Y189-F195 HydrophobicContact CD1-CB 4.19Å; Y189-F195 HydrophobicContact CD2-CD2 4.44Å; Y189-F195 HydrophobicContact CE1-CB 3.73Å; Y189-F195 HydrophobicContact CE1-CD2 4.27Å; Y189-F195 AromaticContact CE2-CD2 3.78Å; Y189-F195 HydrophobicContact CE2-CD2 3.78Å; Y189-F195 AromaticContact CZ-CD2 3.68Å; F195-M197 VanDerWaalsContact CZ-C 3.43Å
196I94.3Very high89.6Confident87 Ų8753.5 Ų53.545%0.44630%0.301SS..EExtended strand (participates in β ladder)trans-97.8-64.3177.7-59176.1000109I176 I188 D190I176-I196 HydrophobicContact CG2-CD1 3.97Å; I188-I196 HydrophobicContact CB-CB 4.5Å; I188-I196 HydrophobicContact CG2-CB 4.41Å; I188-I196 HydrophobicContact CG2-CD1 4.19Å; I188-I196 PolarHBondContact O-N 3.15Å; D190-I196 HydrophobicContact CB-CD1 4.04Å; D190-I196 HydrophobicContact CB-CG1 4.4Å
197M93.6Very high88.5Confident70 Ų7055 Ų5535%0.34531%0.314SS..EExtended strand (participates in β ladder)trans-163.2166.9-177.965.3-170.2-67.700112.6I188 F195 N249I188-M197 HydrophobicContact CB-CG 4.4Å; I188-M197 HydrophobicContact CD1-CG 3.84Å; I188-M197 HydrophobicContact CD1-SD 4.48Å; I188-M197 HydrophobicContact CG1-CG 4.43Å; I188-M197 PolarHBondContact N-O 3.15Å; I188-M197 PolarHBondContact O-N 3.39Å; F195-M197 VanDerWaalsContact CZ-C 3.43Å; M197-N249 WeakPolarHBondContact CE-OD1 3.48Å; M197-N249 PolarHBondContact SD-ND2 3.25Å; M197-N249 PolarHBondContact SD-OD1 3.43Å; M197-N249 VanDerWaalsContact SD-OD1 3.37Å
198K92.1Very high86.9Confident105 Ų10560.6 Ų60.646%0.45735%0.35SS..EExtended strand (participates in β ladder)trans-88.1131.6168.5178.6176.4172.1-179.90109.3E185E185-K198 VanDerWaalsContact CD-CE 3.45Å; E185-K198 IonicContact OE1-NZ 2.84Å; E185-K198 PolarHBondContact OE1-NZ 2.82Å; E185-K198 IonicContact OE2-NZ 3.82Å; E185-K198 PolarHBondContact OE2-NZ 2.93Å
199M91.6Very high85.7Confident5 Ų563.6 Ų63.63%0.02538%0.381CS..  trans-73.2142.3179.4-173.5174.7-79.100111.2L178 V186 I188 I201 L233 I235 M245 E248L178-M199 HydrophobicContact CD1-CE 4.19Å; L178-M199 HydrophobicContact CD2-CE 3.7Å; V186-M199 HydrophobicContact CB-CB 4.19Å; V186-M199 HydrophobicContact CB-SD 4.36Å; V186-M199 HydrophobicContact CG1-CB 4.38Å; V186-M199 HydrophobicContact CG1-CE 4.46Å; V186-M199 HydrophobicContact CG1-SD 4.08Å; V186-M199 WeakPolarHBondContact O-CB 3.37Å; V186-M199 PolarHBondContact O-N 3.42Å; I188-M199 HydrophobicContact CD1-CB 4.36Å; I188-M199 HydrophobicContact CD1-CE 3.87Å; I188-M199 HydrophobicContact CG1-CB 4.42Å; I188-M199 HydrophobicContact CG1-CE 4.09Å; M199-I201 HydrophobicContact CG-CD1 4.28Å; M199-I201 PolarHBondContact O-N 3Å; M199-I201 HydrophobicContact SD-CD1 4.29Å; M199-L233 HydrophobicContact CE-CD2 3.94Å; M199-L233 HydrophobicContact SD-CD2 4.43Å; M199-I235 HydrophobicContact CE-CD1 4.48Å; M199-I235 HydrophobicContact SD-CD1 3.3Å; M199-I235 WeakPolarHBondContact SD-CD1 3.36Å; M199-M245 HydrophobicContact SD-CE 3.68Å; M199-M245 HydrophobicContact SD-SD 4.32Å; M199-E248 HydrophobicContact CE-CB 3.84Å
200N89.3Confident84.9Confident119 Ų11968 Ų6864%0.63642%0.421SS*.  trans-82.2108.6177.1-173.93.4000110.9S202 Q243N200-S202 PolarHBondContact OD1-OG 2.92Å; N200-Q243 PolarHBondContact O-NE2 3.41Å
201I89.3Confident84.6Confident33 Ų3367.4 Ų67.417%0.16942%0.419CS..  trans-99.299.5174.1-56.1-58.1000108.7M199 L204 I235 F237M199-I201 HydrophobicContact CG-CD1 4.28Å; M199-I201 PolarHBondContact O-N 3Å; M199-I201 HydrophobicContact SD-CD1 4.29Å; I201-L204 HydrophobicContact CG2-CB 4.37Å; I201-L204 HydrophobicContact CG2-CD1 3.81Å; I201-L204 HydrophobicContact CG2-CG 3.79Å; I201-I235 HydrophobicContact CD1-CD1 4.03Å; I201-I235 HydrophobicContact CD1-CG2 4.41Å; I201-F237 HydrophobicContact CB-CZ 4.5Å; I201-F237 HydrophobicContact CD1-CZ 4.41Å; I201-F237 HydrophobicContact CG1-CZ 4.28Å; I201-F237 HydrophobicContact CG2-CE2 3.56Å; I201-F237 HydrophobicContact CG2-CZ 3.52Å
202S87.8Confident84.5Confident44 Ų4467.3 Ų67.331%0.30842%0.422SS..  trans-93.6-21.6-178-65.60000112.8N200 L204 A205 Y255N200-S202 PolarHBondContact OD1-OG 2.92Å; S202-L204 PolarHBondContact O-N 3.3Å; S202-L204 VanDerWaalsContact O-N 3.11Å; S202-A205 WeakPolarHBondContact O-CB 3.32Å; S202-A205 PolarHBondContact O-N 3.33Å; S202-Y255 VanDerWaalsContact CB-OH 3.24Å; S202-Y255 WeakPolarHBondContact CB-OH 3.38Å
203C85Confident84.6Confident13 Ų1361.5 Ų61.59%0.08840%0.395CS..THydrogen-bonded Turntrans-62.4-21-179.769.90000113.5A205 F237 R241 Q243 Y255C203-A205 VanDerWaalsContact C-N 3.3Å; C203-A205 PolarHBondContact O-N 3Å; C203-F237 VanDerWaalsContact SG-CE2 3.57Å; C203-R241 WeakPolarHBondContact O-CD 3.17Å; C203-R241 PolarHBondContact O-NH1 3.25Å; C203-Q243 HydrophobicContact CB-CB 4.09Å; C203-Y255 HydrophobicContact CB-CD1 3.59Å; C203-Y255 HydrophobicContact CB-CE1 3.98Å
204L84.8Confident84.8Confident42 Ų4262 Ų6222%0.2240%0.399CS..THydrogen-bonded Turntrans-84.51.3178.3-63.2-179.8000113.9I201 S202 G206 A207 V211 F237 R241I201-L204 HydrophobicContact CG2-CB 4.37Å; I201-L204 HydrophobicContact CG2-CD1 3.81Å; I201-L204 HydrophobicContact CG2-CG 3.79Å; S202-L204 PolarHBondContact O-N 3.3Å; S202-L204 VanDerWaalsContact O-N 3.11Å; L204-G206 PolarHBondContact O-N 3.5Å; L204-G206 VanDerWaalsContact O-N 3.17Å; L204-A207 WeakPolarHBondContact O-CB 3.31Å; L204-A207 PolarHBondContact O-N 3.42Å; L204-V211 HydrophobicContact CD1-CG1 4.47Å; L204-V211 HydrophobicContact CD2-CG1 4.01Å; L204-V211 HydrophobicContact CD2-CG2 4.46Å; L204-F237 HydrophobicContact CD1-CD1 4.14Å; L204-F237 HydrophobicContact CD1-CD2 4.29Å; L204-F237 HydrophobicContact CD1-CE1 3.81Å; L204-F237 HydrophobicContact CD1-CE2 4Å; L204-F237 HydrophobicContact CD1-CG 4.38Å; L204-F237 HydrophobicContact CD1-CZ 3.75Å; L204-F237 HydrophobicContact CD2-CB 4.42Å; L204-F237 HydrophobicContact CD2-CD1 4.45Å; L204-F237 HydrophobicContact CD2-CD2 3.77Å; L204-F237 HydrophobicContact CD2-CE2 4.19Å; L204-F237 HydrophobicContact CD2-CG 3.94Å; L204-F237 HydrophobicContact CG-CD2 4.1Å; L204-F237 HydrophobicContact CG-CE2 3.99Å; L204-F237 HydrophobicContact CG-CZ 4.26Å; L204-R241 HydrophobicContact CD2-CB 4.43Å
205A76.7Confident84.7Confident78 Ų7858.4 Ų58.465%0.64538%0.381SS*.THydrogen-bonded Turntrans-55.8122.5175.600000110.8S202 C203 A207 R241S202-A205 WeakPolarHBondContact O-CB 3.32Å; S202-A205 PolarHBondContact O-N 3.33Å; C203-A205 VanDerWaalsContact C-N 3.3Å; C203-A205 PolarHBondContact O-N 3Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.89Å; A205-R241 PolarHBondContact O-NH1 3.19Å
206G67.8Low84.8Confident77 Ų7754.3 Ų54.379%0.79436%0.364SS*.THydrogen-bonded Turntrans76.98.1-177.900000116.1L204L204-G206 PolarHBondContact O-N 3.5Å; L204-G206 VanDerWaalsContact O-N 3.17Å
207A71.4Confident84.8Confident33 Ų3352.8 Ų52.827%0.27336%0.355SS..  trans-74.7130.8170.500000110.9L204 A205L204-A207 WeakPolarHBondContact O-CB 3.31Å; L204-A207 PolarHBondContact O-N 3.42Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 2.89Å
208T61.2Low84.7Confident144 Ų14450.8 Ų50.888%0.88334%0.343SS*.  trans-105.8115.6175.454.50000110.1
209G69.1Low84.6Confident65 Ų6546.4 Ų46.467%0.6732%0.324SS*.SBendtrans134.8168.117700000113.1
210A77.6Confident84Confident107 Ų10748.9 Ų48.988%0.88435%0.345SS*.  trans-72.3129.9168.300000108.7
211V87.3Confident83.3Confident25 Ų2543.9 Ų43.915%0.15232%0.322CS..  trans-119.7135.7-177.1-176.70000108.1L204 F237 D238L204-V211 HydrophobicContact CD1-CG1 4.47Å; L204-V211 HydrophobicContact CD2-CG1 4.01Å; L204-V211 HydrophobicContact CD2-CG2 4.46Å; V211-F237 HydrophobicContact CG1-CB 3.54Å; V211-F237 HydrophobicContact CG1-CD1 3.58Å; V211-F237 HydrophobicContact CG1-CG 3.78Å; V211-D238 WeakPolarHBondContact CG1-OD1 3.34Å
212S89.9Confident82.4Confident49 Ų4945.9 Ų45.934%0.34334%0.343SS..  trans-114154174.272.60000111.7A214 F237 D238S212-A214 PolarHBondContact O-N 2.59Å; S212-F237 WeakPolarHBondContact O-CA 3.39Å; S212-D238 WeakPolarHBondContact CB-OD2 3.49Å; S212-D238 VanDerWaalsContact N-CG 3.33Å; S212-D238 PolarHBondContact N-OD1 3.44Å; S212-D238 PolarHBondContact N-OD2 2.91Å; S212-D238 PolarHBondContact O-N 2.85Å; S212-D238 VanDerWaalsContact OG-CG 3.24Å; S212-D238 PolarHBondContact OG-OD2 3.48Å
213L92.8Very high81.3Confident10 Ų1045.5 Ų45.55%0.05235%0.346CS..EExtended strand (participates in β ladder)trans-74.2124.6175.5-80.4161.6000109.7H167 G180 V186 I216 I235 F237H167-L213 PolarHBondContact NE2-O 3.39Å; G180-L213 VanDerWaalsContact CA-CD1 3.44Å; V186-L213 HydrophobicContact CG2-CD1 3.91Å; V186-L213 HydrophobicContact CG2-CD2 4.17Å; L213-I216 HydrophobicContact CD1-CD1 4.33Å; L213-I216 HydrophobicContact CD2-CG1 4.4Å; L213-I235 HydrophobicContact CD2-CG2 3.65Å; L213-F237 HydrophobicContact CD2-CD1 3.9Å; L213-F237 HydrophobicContact CD2-CE1 3.4Å; L213-F237 VanDerWaalsContact CD2-CE1 3.4Å; L213-F237 HydrophobicContact CD2-CZ 3.86Å; L213-F237 HydrophobicContact CG-CD1 4.25Å; L213-F237 HydrophobicContact CG-CE1 3.88Å
214A92.3Very high80.5Confident13 Ų1345 Ų4511%0.10734%0.343CS..EExtended strand (participates in β ladder)trans-87.9-29.7172.700000111.9S212 C236 V262S212-A214 PolarHBondContact O-N 2.59Å; A214-C236 PolarHBondContact N-O 3.46Å; A214-V262 HydrophobicContact CB-CB 4.02Å; A214-V262 HydrophobicContact CB-CG1 3.76Å; A214-V262 WeakPolarHBondContact CB-O 3.29Å
215G91.8Very high79.9Confident6 Ų648 Ų486%0.06235%0.352CS..EExtended strand (participates in β ladder)trans179.6158.7171.400000114.9C236 I265G215-C236 PolarHBondContact N-O 2.86Å; G215-C236 VanDerWaalsContact N-O 3.17Å; G215-C236 PolarHBondContact O-N 2.79Å; G215-I265 WeakPolarHBondContact O-CD1 3.08Å
216I95.1Very high79.4Confident15 Ų1545.7 Ų45.78%0.07733%0.331CS..EExtended strand (participates in β ladder)trans-128.6120173.4-57.1175000106.5H167 A169 L178 V186 L213 L233 A234 I235H167-I216 HydrophobicContact CB-CD1 4.03Å; H167-I216 HydrophobicContact CB-CG1 4.31Å; A169-I216 HydrophobicContact CB-CB 4.4Å; A169-I216 HydrophobicContact CB-CG2 3.82Å; L178-I216 HydrophobicContact CB-CG2 4.48Å; L178-I216 HydrophobicContact CD1-CG2 3.87Å; V186-I216 HydrophobicContact CG1-CD1 4.22Å; V186-I216 HydrophobicContact CG2-CD1 4.01Å; L213-I216 HydrophobicContact CD1-CD1 4.33Å; L213-I216 HydrophobicContact CD2-CG1 4.4Å; I216-L233 HydrophobicContact CG2-CD1 4.03Å; I216-A234 WeakPolarHBondContact CA-O 3.49Å; I216-I235 HydrophobicContact CG2-CG1 4.39Å
217H94.1Very high79.4Confident56 Ų5645.4 Ų45.426%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-139.3127.9-177.7-158.9-92.8000111.8A234 W267H217-A234 PolarHBondContact N-O 3.22Å; H217-A234 PolarHBondContact O-N 2.89Å; H217-W267 AromaticContact ND1-CD1 3.35Å; H217-W267 AromaticContact ND1-CG 3.79Å; H217-W267 PolarHBondContact ND1-N 2.92Å; H217-W267 PolarHBondContact O-NE1 2.98Å
218W92.4Very high79Confident28 Ų2846.1 Ų46.111%0.10631%0.311CS..EExtended strand (participates in β ladder)trans-95.1142.8171.7-75.4101.2000110.8P172 L178 C232 L233P172-W218 HydrophobicContact CG-CB 4.11Å; P172-W218 HydrophobicContact CG-CD2 4.23Å; P172-W218 HydrophobicContact CG-CE3 3.94Å; P172-W218 HydrophobicContact CG-CG 4.34Å; L178-W218 HydrophobicContact CD1-CZ2 3.94Å; L178-W218 VanDerWaalsContact CD1-NE1 3.32Å; W218-C232 CarbonylContact C-O 3.59Å; W218-C232 WeakPolarHBondContact CA-O 3.13Å; W218-L233 HydrophobicContact CD2-CB 4.04Å; W218-L233 HydrophobicContact CD2-CD1 3.84Å; W218-L233 HydrophobicContact CD2-CG 4.39Å; W218-L233 HydrophobicContact CE3-CB 3.69Å; W218-L233 HydrophobicContact CE3-CD1 4.39Å; W218-L233 HydrophobicContact CE3-CG 4.5Å; W218-L233 HydrophobicContact CG-CD1 4.18Å; W218-L233 HydrophobicContact CH2-CB 3.82Å; W218-L233 HydrophobicContact CH2-CD2 3.76Å; W218-L233 HydrophobicContact CH2-CG 4.24Å; W218-L233 HydrophobicContact CZ2-CB 4.16Å; W218-L233 HydrophobicContact CZ2-CD1 4.03Å; W218-L233 HydrophobicContact CZ2-CD2 3.6Å; W218-L233 HydrophobicContact CZ2-CG 4.12Å; W218-L233 HydrophobicContact CZ3-CB 3.58Å; W218-L233 HydrophobicContact CZ3-CD2 4.41Å; W218-L233 HydrophobicContact CZ3-CG 4.43Å
219Y89.9Confident79.5Confident12 Ų1244.3 Ų44.35%0.04730%0.296CS..  trans-93.5119.5159.2174-119.7000109.7G221 G223 G224 Y225 C232 H269 C270Y219-G221 VanDerWaalsContact C-N 3.27Å; Y219-G221 PolarHBondContact O-N 3.47Å; Y219-G223 VanDerWaalsContact OH-CA 3.23Å; Y219-G223 WeakPolarHBondContact OH-CA 3.3Å; Y219-G223 PolarHBondContact OH-N 3.4Å; Y219-G224 VanDerWaalsContact CE1-O 3.32Å; Y219-G224 WeakPolarHBondContact CE1-O 3.48Å; Y219-G224 PolarHBondContact OH-N 2.85Å; Y219-G224 PolarHBondContact OH-O 3.38Å; Y219-Y225 HydrophobicContact CD1-CD1 4.11Å; Y219-Y225 AromaticContact CD1-CE1 3.89Å; Y219-Y225 HydrophobicContact CD1-CE1 3.89Å; Y219-Y225 AromaticContact CE1-CD1 3.96Å; Y219-Y225 HydrophobicContact CE1-CD1 3.96Å; Y219-Y225 HydrophobicContact CE1-CE1 4Å; Y219-C232 HydrophobicContact CD1-CB 4.48Å; Y219-C232 PolarHBondContact N-O 3.45Å; Y219-H269 WeakPolarHBondContact CE2-O 3.45Å; Y219-C270 VanDerWaalsContact CE2-C 3.48Å; Y219-C270 WeakPolarHBondContact OH-CA 3.47Å; Y219-C270 PolarHBondContact OH-O 3.43Å; Y219-C270 VanDerWaalsContact OH-O 3.08Å
220A78.1Confident80.1Confident57 Ų5741.6 Ų41.647%0.47127%0.267SS..  trans-791.1-172.100000115.4P172 A222P172-A220 HydrophobicContact CB-CB 4.2Å; P172-A220 HydrophobicContact CG-CB 4.5Å; A220-A222 PolarHBondContact O-N 2.94Å
221G75.2Confident80.6Confident14 Ų1436.7 Ų36.714%0.14423%0.226CC..SBendtrans74.4-0.2178.700000115.8Y219 G223 G224Y219-G221 VanDerWaalsContact C-N 3.27Å; Y219-G221 PolarHBondContact O-N 3.47Å; G221-G223 PolarHBondContact O-N 3.5Å; G221-G223 VanDerWaalsContact O-N 3.12Å; G221-G224 PolarHBondContact O-N 2.91Å
222A69.9Low80.8Confident76 Ų7635.9 Ų35.963%0.62822%0.221SC*.THydrogen-bonded Turntrans-61.2-23.5-175.300000114.5A220A220-A222 PolarHBondContact O-N 2.94Å
223G65Low81Confident35 Ų3533.5 Ų33.536%0.36121%0.205SC..THydrogen-bonded Turntrans-96.18.7175.200000114.4Y219 G221Y219-G223 VanDerWaalsContact OH-CA 3.23Å; Y219-G223 WeakPolarHBondContact OH-CA 3.3Å; Y219-G223 PolarHBondContact OH-N 3.4Å; G221-G223 PolarHBondContact O-N 3.5Å; G221-G223 VanDerWaalsContact O-N 3.12Å
224G68.6Low81.2Confident3 Ų333 Ų333%0.03120%0.203CC..  trans80.1166.2-167.500000112.3Y219 G221Y219-G224 VanDerWaalsContact CE1-O 3.32Å; Y219-G224 WeakPolarHBondContact CE1-O 3.48Å; Y219-G224 PolarHBondContact OH-N 2.85Å; Y219-G224 PolarHBondContact OH-O 3.38Å; G221-G224 PolarHBondContact O-N 2.91Å
225Y71.6Confident81.3Confident105 Ų10532.4 Ų32.441%0.41220%0.197SC..  trans-97.6149.3173.4-63.6-81.9000109.8Y219 E227 C232Y219-Y225 HydrophobicContact CD1-CD1 4.11Å; Y219-Y225 AromaticContact CD1-CE1 3.89Å; Y219-Y225 HydrophobicContact CD1-CE1 3.89Å; Y219-Y225 AromaticContact CE1-CD1 3.96Å; Y219-Y225 HydrophobicContact CE1-CD1 3.96Å; Y219-Y225 HydrophobicContact CE1-CE1 4Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 WeakPolarHBondContact CB-O 3.28Å; Y225-C232 HydrophobicContact CE1-CB 4.18Å
226S66.9Low81.5Confident29 Ų2932.1 Ų32.120%0.20320%0.195CC..SBendtrans-65.6-39178.1-63.40000111Y362S226-Y362 PolarHBondContact O-OH 3.01Å
227E67.8Low81.4Confident71 Ų7131.4 Ų31.433%0.33219%0.191SC..SBendtrans-143160.3175.4-61.7-169.7165.700110.9Y225 D229 S230 F298Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 WeakPolarHBondContact CB-O 3.28Å; E227-D229 PolarHBondContact O-N 3.39Å; E227-S230 PolarHBondContact N-OG 2.9Å; E227-S230 PolarHBondContact O-N 3.15Å; E227-S230 PolarHBondContact O-OG 3.44Å; E227-F298 HydrophobicContact CB-CZ 4.14Å; E227-F298 HydrophobicContact CG-CE2 4.38Å; E227-F298 HydrophobicContact CG-CZ 4.39Å; E227-F298 WeakPolarHBondContact OE2-CZ 3.39Å
228P63.4Low81.3Confident48 Ų4830.5 Ų30.531%0.31219%0.188SC..THydrogen-bonded Turntrans-52.6135.8168.4-2334.2000110.8S230 Q360P228-S230 VanDerWaalsContact C-N 3.25Å; P228-S230 PolarHBondContact O-N 3.48Å; P228-Q360 HydrophobicContact CG-CB 4.08Å; P228-Q360 HydrophobicContact CG-CG 4.19Å
229D70.9Confident81.3Confident106 Ų10631.8 Ų31.857%0.56720%0.197SC*.THydrogen-bonded Turntrans61.230.4177.1-151.730.9000114.6E227 R246E227-D229 PolarHBondContact O-N 3.39Å; D229-R246 VanDerWaalsContact CG-CD 3.41Å; D229-R246 WeakPolarHBondContact O-CG 3.39Å; D229-R246 PolarHBondContact O-NE 2.96Å; D229-R246 VanDerWaalsContact O-NE 3.08Å; D229-R246 VanDerWaalsContact OD1-CD 3.31Å; D229-R246 WeakPolarHBondContact OD1-CD 3.44Å; D229-R246 IonicContact OD1-NE 3.26Å; D229-R246 VanDerWaalsContact OD2-CD 3.25Å; D229-R246 WeakPolarHBondContact OD2-CD 3.38Å; D229-R246 IonicContact OD2-CZ 2.75Å; D229-R246 IonicContact OD2-NE 3.92Å; D229-R246 PolarHBondContact OD2-NE 2.85Å
230S81.8Confident81.2Confident8 Ų831.2 Ų31.26%0.05619%0.194CC..  trans-61.7129.5173.3-65.20000110.9E227 P228 C232E227-S230 PolarHBondContact N-OG 2.9Å; E227-S230 PolarHBondContact O-N 3.15Å; E227-S230 PolarHBondContact O-OG 3.44Å; P228-S230 VanDerWaalsContact C-N 3.25Å; P228-S230 PolarHBondContact O-N 3.48Å; S230-C232 PolarHBondContact O-N 3.26Å
231P88.8Confident81.9Confident4 Ų431.2 Ų31.23%0.02618%0.182CC..  trans-56.4134.5171.2-24.734.6000111.9I244 M245 R246 V254 P297 F298P231-I244 HydrophobicContact CB-CB 4.36Å; P231-I244 HydrophobicContact CB-CG2 3.47Å; P231-I244 VanDerWaalsContact CB-CG2 3.47Å; P231-M245 CarbonylContact C-O 3.59Å; P231-M245 WeakPolarHBondContact CA-O 3.47Å; P231-R246 HydrophobicContact CB-CG 4.41Å; P231-R246 HydrophobicContact CG-CG 4.12Å; P231-V254 HydrophobicContact CG-CG2 4.16Å; P231-P297 WeakPolarHBondContact CG-O 3.49Å; P231-F298 HydrophobicContact CG-CD1 4.44Å
232C91.3Very high82.8Confident8 Ų830.6 Ų30.65%0.05418%0.176CC..  trans-133.2-14.4-171.671.40000114.3W218 Y219 Y225 S230 M245 R246 W267W218-C232 CarbonylContact C-O 3.59Å; W218-C232 WeakPolarHBondContact CA-O 3.13Å; Y219-C232 HydrophobicContact CD1-CB 4.48Å; Y219-C232 PolarHBondContact N-O 3.45Å; Y225-C232 HydrophobicContact CE1-CB 4.18Å; S230-C232 PolarHBondContact O-N 3.26Å; C232-M245 PolarHBondContact N-O 2.87Å; C232-R246 PolarHBondContact SG-O 3.04Å; C232-W267 PolarHBondContact O-NE1 3.49Å; C232-W267 VanDerWaalsContact O-NE1 3.16Å
233L94.3Very high84Confident0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-98.5117.5172.2172.955.4000109.4L178 M199 I216 W218 I235 I244 M245L178-L233 HydrophobicContact CD1-CD1 3.83Å; L178-L233 HydrophobicContact CD1-CD2 4Å; M199-L233 HydrophobicContact CE-CD2 3.94Å; M199-L233 HydrophobicContact SD-CD2 4.43Å; I216-L233 HydrophobicContact CG2-CD1 4.03Å; W218-L233 HydrophobicContact CD2-CB 4.04Å; W218-L233 HydrophobicContact CD2-CD1 3.84Å; W218-L233 HydrophobicContact CD2-CG 4.39Å; W218-L233 HydrophobicContact CE3-CB 3.69Å; W218-L233 HydrophobicContact CE3-CD1 4.39Å; W218-L233 HydrophobicContact CE3-CG 4.5Å; W218-L233 HydrophobicContact CG-CD1 4.18Å; W218-L233 HydrophobicContact CH2-CB 3.82Å; W218-L233 HydrophobicContact CH2-CD2 3.76Å; W218-L233 HydrophobicContact CH2-CG 4.24Å; W218-L233 HydrophobicContact CZ2-CB 4.16Å; W218-L233 HydrophobicContact CZ2-CD1 4.03Å; W218-L233 HydrophobicContact CZ2-CD2 3.6Å; W218-L233 HydrophobicContact CZ2-CG 4.12Å; W218-L233 HydrophobicContact CZ3-CB 3.58Å; W218-L233 HydrophobicContact CZ3-CD2 4.41Å; W218-L233 HydrophobicContact CZ3-CG 4.43Å; L233-I235 HydrophobicContact CD1-CG1 4.17Å; L233-I235 HydrophobicContact CD2-CD1 4.39Å; L233-I235 HydrophobicContact CG-CG1 4.25Å; L233-I244 CarbonylContact O-C 3.54Å; L233-I244 VanDerWaalsContact O-CA 3.26Å; L233-I244 WeakPolarHBondContact O-CA 3.41Å; L233-I244 WeakPolarHBondContact O-CG2 3.17Å; L233-M245 HydrophobicContact CB-CB 4.28Å; L233-M245 HydrophobicContact CD2-CE 3.44Å; L233-M245 VanDerWaalsContact CD2-CE 3.44Å; L233-M245 HydrophobicContact CG-CE 3.82Å; L233-M245 PolarHBondContact N-O 3.39Å; L233-M245 PolarHBondContact O-N 2.76Å
234A95.4Very high85.4Confident0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-107.5128.1171.600000110.4I216 H217 I265 W267 L274I216-A234 WeakPolarHBondContact CA-O 3.49Å; H217-A234 PolarHBondContact N-O 3.22Å; H217-A234 PolarHBondContact O-N 2.89Å; A234-I265 HydrophobicContact CB-CD1 4.13Å; A234-W267 HydrophobicContact CB-CZ2 4.06Å; A234-L274 HydrophobicContact CB-CD1 3.98Å; A234-L274 HydrophobicContact CB-CD2 3.88Å
235I95.3Very high86.6Confident0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-120.3121.9170.3-58.4-177.4000107V186 M199 I201 L213 I216 L233 F237 C242 Q243 M245V186-I235 HydrophobicContact CG2-CD1 4.32Å; V186-I235 HydrophobicContact CG2-CG2 4.49Å; M199-I235 HydrophobicContact CE-CD1 4.48Å; M199-I235 HydrophobicContact SD-CD1 3.3Å; M199-I235 WeakPolarHBondContact SD-CD1 3.36Å; I201-I235 HydrophobicContact CD1-CD1 4.03Å; I201-I235 HydrophobicContact CD1-CG2 4.41Å; L213-I235 HydrophobicContact CD2-CG2 3.65Å; I216-I235 HydrophobicContact CG2-CG1 4.39Å; L233-I235 HydrophobicContact CD1-CG1 4.17Å; L233-I235 HydrophobicContact CD2-CD1 4.39Å; L233-I235 HydrophobicContact CG-CG1 4.25Å; I235-F237 HydrophobicContact CG2-CE2 4.04Å; I235-F237 HydrophobicContact CG2-CZ 3.99Å; I235-C242 CarbonylContact O-C 3.57Å; I235-C242 VanDerWaalsContact O-CA 3.24Å; I235-C242 WeakPolarHBondContact O-CA 3.4Å; I235-Q243 PolarHBondContact N-O 3.13Å; I235-Q243 PolarHBondContact O-N 3.36Å; I235-M245 HydrophobicContact CD1-CE 3.42Å; I235-M245 VanDerWaalsContact CD1-CE 3.42Å; I235-M245 HydrophobicContact CG1-CE 3.92Å
236C95.1Very high87.5Confident0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-128.6145177.6-156.20000112.2A214 G215 R241 C242 I265A214-C236 PolarHBondContact N-O 3.46Å; G215-C236 PolarHBondContact N-O 2.86Å; G215-C236 VanDerWaalsContact N-O 3.17Å; G215-C236 PolarHBondContact O-N 2.79Å; C236-R241 PolarHBondContact SG-O 2.96Å; C236-R241 VanDerWaalsContact SG-O 3.35Å; C236-C242 HydrophobicContact CB-CB 3.7Å; C236-C242 WeakPolarHBondContact CB-SG 3.39Å; C236-C242 WeakPolarHBondContact SG-CB 2.94Å; C236-C242 CovalentContact SG-SG 2.05Å; C236-C242 PolarHBondContact SG-SG 3.34Å; C236-I265 HydrophobicContact CB-CD1 3.82Å; C236-I265 HydrophobicContact CB-CG2 3.69Å
237F94.4Very high88.5Confident0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-104.9156.7-179-63.8-79.7000110.9G184 I201 C203 L204 V211 S212 L213 I235 N239 G240 R241G184-F237 WeakPolarHBondContact O-CE1 3.35Å; I201-F237 HydrophobicContact CB-CZ 4.5Å; I201-F237 HydrophobicContact CD1-CZ 4.41Å; I201-F237 HydrophobicContact CG1-CZ 4.28Å; I201-F237 HydrophobicContact CG2-CE2 3.56Å; I201-F237 HydrophobicContact CG2-CZ 3.52Å; C203-F237 VanDerWaalsContact SG-CE2 3.57Å; L204-F237 HydrophobicContact CD1-CD1 4.14Å; L204-F237 HydrophobicContact CD1-CD2 4.29Å; L204-F237 HydrophobicContact CD1-CE1 3.81Å; L204-F237 HydrophobicContact CD1-CE2 4Å; L204-F237 HydrophobicContact CD1-CG 4.38Å; L204-F237 HydrophobicContact CD1-CZ 3.75Å; L204-F237 HydrophobicContact CD2-CB 4.42Å; L204-F237 HydrophobicContact CD2-CD1 4.45Å; L204-F237 HydrophobicContact CD2-CD2 3.77Å; L204-F237 HydrophobicContact CD2-CE2 4.19Å; L204-F237 HydrophobicContact CD2-CG 3.94Å; L204-F237 HydrophobicContact CG-CD2 4.1Å; L204-F237 HydrophobicContact CG-CE2 3.99Å; L204-F237 HydrophobicContact CG-CZ 4.26Å; V211-F237 HydrophobicContact CG1-CB 3.54Å; V211-F237 HydrophobicContact CG1-CD1 3.58Å; V211-F237 HydrophobicContact CG1-CG 3.78Å; S212-F237 WeakPolarHBondContact O-CA 3.39Å; L213-F237 HydrophobicContact CD2-CD1 3.9Å; L213-F237 HydrophobicContact CD2-CE1 3.4Å; L213-F237 VanDerWaalsContact CD2-CE1 3.4Å; L213-F237 HydrophobicContact CD2-CZ 3.86Å; L213-F237 HydrophobicContact CG-CD1 4.25Å; L213-F237 HydrophobicContact CG-CE1 3.88Å; I235-F237 HydrophobicContact CG2-CE2 4.04Å; I235-F237 HydrophobicContact CG2-CZ 3.99Å; F237-N239 WeakPolarHBondContact CB-OD1 3.31Å; F237-N239 PolarHBondContact O-N 3.25Å; F237-G240 PolarHBondContact O-N 2.9Å; F237-R241 WeakPolarHBondContact CD2-O 3.35Å; F237-R241 PolarHBondContact N-O 3.35Å
238D92.3Very high89.3Confident36 Ų3626.7 Ų26.719%0.19313%0.128CC..THydrogen-bonded Turntrans-54.6-35.6178.557.31.1000112.9V211 S212 G240 N261 V262V211-D238 WeakPolarHBondContact CG1-OD1 3.34Å; S212-D238 WeakPolarHBondContact CB-OD2 3.49Å; S212-D238 VanDerWaalsContact N-CG 3.33Å; S212-D238 PolarHBondContact N-OD1 3.44Å; S212-D238 PolarHBondContact N-OD2 2.91Å; S212-D238 PolarHBondContact O-N 2.85Å; S212-D238 VanDerWaalsContact OG-CG 3.24Å; S212-D238 PolarHBondContact OG-OD2 3.48Å; D238-G240 PolarHBondContact O-N 3.49Å; D238-G240 VanDerWaalsContact O-N 3.1Å; D238-N261 CarbonylContact O-C 3.56Å; D238-N261 WeakPolarHBondContact O-CA 3.42Å; D238-N261 PolarHBondContact O-OD1 3.34Å; D238-N261 VanDerWaalsContact O-OD1 3.07Å; D238-V262 PolarHBondContact O-N 3.28Å
239N90.6Very high90.3Very high55 Ų5527.9 Ų27.929%0.29413%0.132SC..THydrogen-bonded Turntrans-71.20.9178.469.38.2000115.5F237 R241 M260F237-N239 WeakPolarHBondContact CB-OD1 3.31Å; F237-N239 PolarHBondContact O-N 3.25Å; N239-R241 WeakPolarHBondContact OD1-CB 3.45Å; N239-R241 WeakPolarHBondContact OD1-CG 3.42Å; N239-R241 PolarHBondContact OD1-N 3.37Å; N239-M260 CarbonylContact C-O 3.5Å
240G89.6Confident91Very high0 Ų023.8 Ų23.80%011%0.11CC..SBendtrans92.5-5.6177.700000115.3F237 D238 A258 M260F237-G240 PolarHBondContact O-N 2.9Å; D238-G240 PolarHBondContact O-N 3.49Å; D238-G240 VanDerWaalsContact O-N 3.1Å; G240-A258 WeakPolarHBondContact O-CB 3.49Å; G240-A258 PolarHBondContact O-N 2.99Å; G240-M260 WeakPolarHBondContact CA-O 3.41Å; G240-M260 PolarHBondContact N-O 3.43Å
241R92.9Very high91.2Very high58 Ų5831.5 Ų31.522%0.21915%0.145CC..EExtended strand (participates in β ladder)trans-78.2126.5174.1-60.9-165.5-179.9-173.41.4109.9C203 L204 A205 C236 F237 N239 I256C203-R241 WeakPolarHBondContact O-CD 3.17Å; C203-R241 PolarHBondContact O-NH1 3.25Å; L204-R241 HydrophobicContact CD2-CB 4.43Å; A205-R241 PolarHBondContact O-NH1 3.19Å; C236-R241 PolarHBondContact SG-O 2.96Å; C236-R241 VanDerWaalsContact SG-O 3.35Å; F237-R241 WeakPolarHBondContact CD2-O 3.35Å; F237-R241 PolarHBondContact N-O 3.35Å; N239-R241 WeakPolarHBondContact OD1-CB 3.45Å; N239-R241 WeakPolarHBondContact OD1-CG 3.42Å; N239-R241 PolarHBondContact OD1-N 3.37Å; R241-I256 WeakPolarHBondContact CA-O 3.42Å
242C94.1Very high91.1Very high1 Ų137 Ų371%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-122.7143.9173.4-41.80000111.1I235 C236 I256I235-C242 CarbonylContact O-C 3.57Å; I235-C242 VanDerWaalsContact O-CA 3.24Å; I235-C242 WeakPolarHBondContact O-CA 3.4Å; C236-C242 HydrophobicContact CB-CB 3.7Å; C236-C242 WeakPolarHBondContact CB-SG 3.39Å; C236-C242 WeakPolarHBondContact SG-CB 2.94Å; C236-C242 CovalentContact SG-SG 2.05Å; C236-C242 PolarHBondContact SG-SG 3.34Å; C242-I256 HydrophobicContact CB-CB 4.25Å; C242-I256 PolarHBondContact N-O 2.89Å; C242-I256 PolarHBondContact O-N 3.43Å
243Q94.6Very high91.2Very high2 Ų237.4 Ų37.41%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-115.9119.4171.6-173.8171.2-50.200108.3N200 C203 I235 M245 P253 Y255N200-Q243 PolarHBondContact O-NE2 3.41Å; C203-Q243 HydrophobicContact CB-CB 4.09Å; I235-Q243 PolarHBondContact N-O 3.13Å; I235-Q243 PolarHBondContact O-N 3.36Å; Q243-M245 HydrophobicContact CG-CE 4.44Å; Q243-M245 HydrophobicContact CG-CG 4.12Å; Q243-M245 HydrophobicContact CG-SD 4.33Å; Q243-M245 PolarHBondContact NE2-SD 3.15Å; Q243-P253 HydrophobicContact CG-CB 3.77Å; Q243-P253 HydrophobicContact CG-CG 4.31Å; Q243-Y255 HydrophobicContact CG-CD1 4.26Å; Q243-Y255 HydrophobicContact CG-CE1 4.04Å
244I94.8Very high91.1Very high0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-107.3131175.6-46-176.4000109.1P231 L233 P253 V254 I256 W267 L274P231-I244 HydrophobicContact CB-CB 4.36Å; P231-I244 HydrophobicContact CB-CG2 3.47Å; P231-I244 VanDerWaalsContact CB-CG2 3.47Å; L233-I244 CarbonylContact O-C 3.54Å; L233-I244 VanDerWaalsContact O-CA 3.26Å; L233-I244 WeakPolarHBondContact O-CA 3.41Å; L233-I244 WeakPolarHBondContact O-CG2 3.17Å; I244-P253 WeakPolarHBondContact O-CA 3.38Å; I244-V254 HydrophobicContact CB-CB 4.23Å; I244-V254 PolarHBondContact N-O 2.98Å; I244-V254 PolarHBondContact O-N 3.12Å; I244-I256 HydrophobicContact CD1-CD1 3.44Å; I244-I256 VanDerWaalsContact CD1-CD1 3.44Å; I244-I256 HydrophobicContact CD1-CG1 4.33Å; I244-I256 HydrophobicContact CG1-CD1 4.21Å; I244-W267 HydrophobicContact CD1-CH2 4.33Å; I244-W267 HydrophobicContact CD1-CZ2 4.38Å; I244-W267 HydrophobicContact CG2-CH2 4.32Å; I244-W267 HydrophobicContact CG2-CZ2 3.81Å; I244-L274 HydrophobicContact CD1-CD2 3.72Å; I244-L274 HydrophobicContact CG1-CD2 4.39Å
245M93.4Very high90.9Very high3 Ų344.5 Ų44.52%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-131.2152.5-173.3-65.9172.1-75.900111.2M199 P231 C232 L233 I235 Q243 Y247 D250 P253M199-M245 HydrophobicContact SD-CE 3.68Å; M199-M245 HydrophobicContact SD-SD 4.32Å; P231-M245 CarbonylContact C-O 3.59Å; P231-M245 WeakPolarHBondContact CA-O 3.47Å; C232-M245 PolarHBondContact N-O 2.87Å; L233-M245 HydrophobicContact CB-CB 4.28Å; L233-M245 HydrophobicContact CD2-CE 3.44Å; L233-M245 VanDerWaalsContact CD2-CE 3.44Å; L233-M245 HydrophobicContact CG-CE 3.82Å; L233-M245 PolarHBondContact N-O 3.39Å; L233-M245 PolarHBondContact O-N 2.76Å; I235-M245 HydrophobicContact CD1-CE 3.42Å; I235-M245 VanDerWaalsContact CD1-CE 3.42Å; I235-M245 HydrophobicContact CG1-CE 3.92Å; Q243-M245 HydrophobicContact CG-CE 4.44Å; Q243-M245 HydrophobicContact CG-CG 4.12Å; Q243-M245 HydrophobicContact CG-SD 4.33Å; Q243-M245 PolarHBondContact NE2-SD 3.15Å; M245-Y247 WeakPolarHBondContact CB-O 3.45Å; M245-D250 WeakPolarHBondContact CA-OD2 3.43Å; M245-D250 HydrophobicContact CB-CB 3.86Å; M245-D250 HydrophobicContact CG-CB 3.96Å; M245-P253 HydrophobicContact CG-CB 3.77Å
246R89.6Confident90.9Very high69 Ų6945 Ų4526%0.2621%0.21SC..SBendtrans-74.2-38.3172.3-64.8163.1173.6110.9-3.4112.6D229 P231 C232 D250 N252D229-R246 VanDerWaalsContact CG-CD 3.41Å; D229-R246 WeakPolarHBondContact O-CG 3.39Å; D229-R246 PolarHBondContact O-NE 2.96Å; D229-R246 VanDerWaalsContact O-NE 3.08Å; D229-R246 VanDerWaalsContact OD1-CD 3.31Å; D229-R246 WeakPolarHBondContact OD1-CD 3.44Å; D229-R246 IonicContact OD1-NE 3.26Å; D229-R246 VanDerWaalsContact OD2-CD 3.25Å; D229-R246 WeakPolarHBondContact OD2-CD 3.38Å; D229-R246 IonicContact OD2-CZ 2.75Å; D229-R246 IonicContact OD2-NE 3.92Å; D229-R246 PolarHBondContact OD2-NE 2.85Å; P231-R246 HydrophobicContact CB-CG 4.41Å; P231-R246 HydrophobicContact CG-CG 4.12Å; C232-R246 PolarHBondContact SG-O 3.04Å; R246-D250 WeakPolarHBondContact CG-OD2 3.41Å; R246-D250 PolarHBondContact N-OD2 3.39Å; R246-D250 IonicContact NH1-OD1 2.63Å; R246-D250 IonicContact NH1-OD2 3.8Å; R246-N252 PolarHBondContact NH1-O 2.95Å
247Y87.6Confident90.7Very high102 Ų10249 Ų4940%0.423%0.232SC..SBendtrans-151.6176.1179.950.5-86.7000109M245 N249 D250M245-Y247 WeakPolarHBondContact CB-O 3.45Å; Y247-N249 HydrophobicContact CD2-CB 4.13Å; Y247-N249 HydrophobicContact CE2-CB 4.12Å; Y247-N249 WeakPolarHBondContact CE2-O 3.42Å; Y247-N249 PolarHBondContact O-N 2.92Å; Y247-N249 VanDerWaalsContact O-N 3.11Å; Y247-D250 PolarHBondContact O-N 3.46Å
248E84.7Confident90.5Very high61 Ų6149.1 Ų49.129%0.28523%0.233SC..THydrogen-bonded Turntrans-64.1-17.3-172.665.6-80.8-17800115.3I176 I188 M199I176-E248 HydrophobicContact CD1-CB 4.07Å; I176-E248 HydrophobicContact CD1-CG 3.89Å; I188-E248 HydrophobicContact CD1-CB 3.77Å; I188-E248 HydrophobicContact CD1-CG 3.98Å; M199-E248 HydrophobicContact CE-CB 3.84Å
249N84.6Confident90.3Very high73 Ų7353.6 Ų53.639%0.3926%0.256SS..THydrogen-bonded Turntrans-12641.2-176.5-74.7-32.2000112.3M197 Y247 E251M197-N249 WeakPolarHBondContact CE-OD1 3.48Å; M197-N249 PolarHBondContact SD-ND2 3.25Å; M197-N249 PolarHBondContact SD-OD1 3.43Å; M197-N249 VanDerWaalsContact SD-OD1 3.37Å; Y247-N249 HydrophobicContact CD2-CB 4.13Å; Y247-N249 HydrophobicContact CE2-CB 4.12Å; Y247-N249 WeakPolarHBondContact CE2-O 3.42Å; Y247-N249 PolarHBondContact O-N 2.92Å; Y247-N249 VanDerWaalsContact O-N 3.11Å; N249-E251 PolarHBondContact O-N 3.39Å
250D86.8Confident90.3Very high19 Ų1951.4 Ų51.410%0.10224%0.244CC..  trans-69.5122.6-179-164-15.3000111.9M245 R246 Y247 N252M245-D250 WeakPolarHBondContact CA-OD2 3.43Å; M245-D250 HydrophobicContact CB-CB 3.86Å; M245-D250 HydrophobicContact CG-CB 3.96Å; R246-D250 WeakPolarHBondContact CG-OD2 3.41Å; R246-D250 PolarHBondContact N-OD2 3.39Å; R246-D250 IonicContact NH1-OD1 2.63Å; R246-D250 IonicContact NH1-OD2 3.8Å; Y247-D250 PolarHBondContact O-N 3.46Å; D250-N252 VanDerWaalsContact C-N 3.34Å; D250-N252 PolarHBondContact OD1-N 3.06Å
251E84.9Confident90.4Very high170 Ų17055.4 Ų55.479%0.79427%0.265SS*.SBendtrans-74-25.9175.6-64.6-173.8168.300112.5N249 P253N249-E251 PolarHBondContact O-N 3.39Å; E251-P253 VanDerWaalsContact C-CD 3.4Å; E251-P253 WeakPolarHBondContact O-CD 3.36Å
252N88.2Confident90.5Very high119 Ų11952.9 Ų52.964%0.63626%0.256SS*.SBendtrans-126.265.5-176.1-66.7-51.2000111.3R246 D250R246-N252 PolarHBondContact NH1-O 2.95Å; D250-N252 VanDerWaalsContact C-N 3.34Å; D250-N252 PolarHBondContact OD1-N 3.06Å
253P91.4Very high90.4Very high17 Ų1755.8 Ų55.811%0.1127%0.271CS..  trans-71.2153.5178.633.3-38.2000111.8Q243 I244 M245 E251 Y255Q243-P253 HydrophobicContact CG-CB 3.77Å; Q243-P253 HydrophobicContact CG-CG 4.31Å; I244-P253 WeakPolarHBondContact O-CA 3.38Å; M245-P253 HydrophobicContact CG-CB 3.77Å; E251-P253 VanDerWaalsContact C-CD 3.4Å; E251-P253 WeakPolarHBondContact O-CD 3.36Å; P253-Y255 HydrophobicContact CB-CE1 4.33Å; P253-Y255 HydrophobicContact CG-CE1 3.72Å; P253-Y255 HydrophobicContact CG-CE2 4.38Å; P253-Y255 VanDerWaalsContact CG-OH 3.26Å; P253-Y255 WeakPolarHBondContact CG-OH 3.31Å
254V92.6Very high90.3Very high29 Ų2957 Ų5718%0.17628%0.28CS..EExtended strand (participates in β ladder)trans-87.5133.8173.6174.90000109.3P231 I244 F298P231-V254 HydrophobicContact CG-CG2 4.16Å; I244-V254 HydrophobicContact CB-CB 4.23Å; I244-V254 PolarHBondContact N-O 2.98Å; I244-V254 PolarHBondContact O-N 3.12Å; V254-F298 VanDerWaalsContact CG1-O 3.32Å; V254-F298 WeakPolarHBondContact CG1-O 3.16Å
255Y92.7Very high90.4Very high120 Ų12057.5 Ų57.547%0.47128%0.282SS..EExtended strand (participates in β ladder)trans-109.6134.1178.7-54-62.4000111.1S202 C203 Q243 P253S202-Y255 VanDerWaalsContact CB-OH 3.24Å; S202-Y255 WeakPolarHBondContact CB-OH 3.38Å; C203-Y255 HydrophobicContact CB-CD1 3.59Å; C203-Y255 HydrophobicContact CB-CE1 3.98Å; Q243-Y255 HydrophobicContact CG-CD1 4.26Å; Q243-Y255 HydrophobicContact CG-CE1 4.04Å; P253-Y255 HydrophobicContact CB-CE1 4.33Å; P253-Y255 HydrophobicContact CG-CE1 3.72Å; P253-Y255 HydrophobicContact CG-CE2 4.38Å; P253-Y255 VanDerWaalsContact CG-OH 3.26Å; P253-Y255 WeakPolarHBondContact CG-OH 3.31Å
256I93.4Very high90.4Very high11 Ų1158.9 Ų58.96%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-122.6133.9173.8-57.4177.6000108R241 C242 I244 Y295R241-I256 WeakPolarHBondContact CA-O 3.42Å; C242-I256 HydrophobicContact CB-CB 4.25Å; C242-I256 PolarHBondContact N-O 2.89Å; C242-I256 PolarHBondContact O-N 3.43Å; I244-I256 HydrophobicContact CD1-CD1 3.44Å; I244-I256 VanDerWaalsContact CD1-CD1 3.44Å; I244-I256 HydrophobicContact CD1-CG1 4.33Å; I244-I256 HydrophobicContact CG1-CD1 4.21Å; I256-Y295 HydrophobicContact CD1-CD1 3.91Å; I256-Y295 HydrophobicContact CD1-CD2 4.42Å; I256-Y295 HydrophobicContact CD1-CG 3.86Å; I256-Y295 HydrophobicContact CG2-CD1 4.07Å; I256-Y295 HydrophobicContact CG2-CE1 3.61Å; I256-Y295 HydrophobicContact CG2-CE2 4.12Å
257D92Very high90.6Very high85 Ų8555.9 Ų55.946%0.45528%0.277SS..EExtended strand (participates in β ladder)trans-111104.4163.7-168.3-15.4000108.7L259D257-L259 PolarHBondContact O-N 3.42Å; D257-L259 WeakPolarHBondContact OD1-CD2 3.27Å; D257-L259 PolarHBondContact OD1-N 3.28Å
258A89Confident90.7Very high2 Ų251.3 Ų51.32%0.01726%0.26CS..  trans-77.7-10.7-177.900000113.1G240 M260 V276 Q293G240-A258 WeakPolarHBondContact O-CB 3.49Å; G240-A258 PolarHBondContact O-N 2.99Å; A258-M260 HydrophobicContact CB-CE 3.72Å; A258-M260 HydrophobicContact CB-CG 4.04Å; A258-M260 PolarHBondContact O-N 3.43Å; A258-M260 VanDerWaalsContact O-N 3.16Å; A258-V276 HydrophobicContact CB-CG1 4.34Å; A258-Q293 PolarHBondContact O-NE2 3.34Å; A258-Q293 PolarHBondContact O-OE1 3.34Å
259L89Confident90.7Very high130 Ų13050.2 Ų50.268%0.68126%0.255SS*.  trans52.932.1-179.3-58.6171.9000113.7D257 L280D257-L259 PolarHBondContact O-N 3.42Å; D257-L259 WeakPolarHBondContact OD1-CD2 3.27Å; D257-L259 PolarHBondContact OD1-N 3.28Å; L259-L280 WeakPolarHBondContact O-CD1 3.43Å
260M90.9Very high90.4Very high9 Ų949 Ų494%0.04425%0.252CS..SBendtrans-141.3162.7-178.772.3171.1128.400111.5N239 G240 A258 V262 V276 S279 L280 V291 Q293N239-M260 CarbonylContact C-O 3.5Å; G240-M260 WeakPolarHBondContact CA-O 3.41Å; G240-M260 PolarHBondContact N-O 3.43Å; A258-M260 HydrophobicContact CB-CE 3.72Å; A258-M260 HydrophobicContact CB-CG 4.04Å; A258-M260 PolarHBondContact O-N 3.43Å; A258-M260 VanDerWaalsContact O-N 3.16Å; M260-V262 HydrophobicContact CG-CG2 3.86Å; M260-V262 PolarHBondContact O-N 3.03Å; M260-V276 HydrophobicContact CE-CB 4.2Å; M260-V276 HydrophobicContact CE-CG1 3.8Å; M260-S279 WeakPolarHBondContact CB-O 3.1Å; M260-L280 HydrophobicContact CB-CB 4.34Å; M260-L280 HydrophobicContact CB-CD1 4.08Å; M260-V291 HydrophobicContact SD-CG2 3.58Å; M260-V291 VanDerWaalsContact SD-CG2 3.58Å; M260-Q293 HydrophobicContact CE-CB 3.81Å; M260-Q293 HydrophobicContact CE-CG 3.57Å; M260-Q293 VanDerWaalsContact CE-OE1 3.23Å
261N92Very high90.3Very high83 Ų8348.3 Ų48.344%0.44425%0.249SC..EExtended strand (participates in β ladder)trans-79.5108170.1-175.519.3000109.9D238 G278 S279D238-N261 CarbonylContact O-C 3.56Å; D238-N261 WeakPolarHBondContact O-CA 3.42Å; D238-N261 PolarHBondContact O-OD1 3.34Å; D238-N261 VanDerWaalsContact O-OD1 3.07Å; N261-G278 CarbonylContact O-C 3.1Å; N261-G278 WeakPolarHBondContact O-CA 3.49Å; N261-S279 PolarHBondContact N-O 3.17Å; N261-S279 PolarHBondContact O-N 3.45Å
262V93.8Very high90.3Very high5 Ų542.2 Ų42.23%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-87134.7-172.4-179.60000110.9A214 D238 M260 I265 V276A214-V262 HydrophobicContact CB-CB 4.02Å; A214-V262 HydrophobicContact CB-CG1 3.76Å; A214-V262 WeakPolarHBondContact CB-O 3.29Å; D238-V262 PolarHBondContact O-N 3.28Å; M260-V262 HydrophobicContact CG-CG2 3.86Å; M260-V262 PolarHBondContact O-N 3.03Å; V262-I265 HydrophobicContact CG1-CG2 3.81Å; V262-V276 HydrophobicContact CB-CG1 4.42Å; V262-V276 HydrophobicContact CG1-CG1 3.77Å; V262-V276 HydrophobicContact CG2-CG1 3.65Å
263I92.8Very high90.4Very high63 Ų6337.1 Ų37.132%0.32320%0.198SC..EExtended strand (participates in β ladder)trans-112.4-36.7-177-59171.7000110.4A277 L312I263-A277 PolarHBondContact N-O 3.43Å; I263-L312 HydrophobicContact CD1-CB 4.27Å; I263-L312 WeakPolarHBondContact CD1-O 3.47Å
264S93.1Very high90.5Very high26 Ų2636.3 Ų36.318%0.18219%0.193CC..EExtended strand (participates in β ladder)trans-153.7145.3-175.7-170.90000111.1A277S264-A277 PolarHBondContact N-O 2.9Å; S264-A277 PolarHBondContact O-N 3.04Å
265I95.4Very high90.7Very high11 Ų1135 Ų356%0.05619%0.185CC..EExtended strand (participates in β ladder)trans-130.4144.9173.765.8171.1000110.2G215 A234 C236 V262 A275 V276G215-I265 WeakPolarHBondContact O-CD1 3.08Å; A234-I265 HydrophobicContact CB-CD1 4.13Å; C236-I265 HydrophobicContact CB-CD1 3.82Å; C236-I265 HydrophobicContact CB-CG2 3.69Å; V262-I265 HydrophobicContact CG1-CG2 3.81Å; I265-A275 WeakPolarHBondContact CA-O 3.25Å; I265-V276 HydrophobicContact CG2-CB 4.42Å; I265-V276 HydrophobicContact CG2-CG1 4.07Å; I265-V276 HydrophobicContact CG2-CG2 4.22Å
266Q94.6Very high90.8Very high33 Ų3329.2 Ų29.215%0.15416%0.162CC..EExtended strand (participates in β ladder)trans-155.9132.5173.3-152.9-174.825.600112.8A275 I315 W317Q266-A275 PolarHBondContact N-O 2.77Å; Q266-A275 PolarHBondContact O-N 2.93Å; Q266-I315 HydrophobicContact CB-CD1 4.08Å; Q266-I315 HydrophobicContact CB-CG1 4.35Å; Q266-W317 PolarHBondContact O-NE1 3.15Å
267W93.3Very high90.9Very high5 Ų528.7 Ų28.72%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-68.8140.7166.5-74.1112.6000110.6H217 C232 A234 I244 L274 P297 W317H217-W267 AromaticContact ND1-CD1 3.35Å; H217-W267 AromaticContact ND1-CG 3.79Å; H217-W267 PolarHBondContact ND1-N 2.92Å; H217-W267 PolarHBondContact O-NE1 2.98Å; C232-W267 PolarHBondContact O-NE1 3.49Å; C232-W267 VanDerWaalsContact O-NE1 3.16Å; A234-W267 HydrophobicContact CB-CZ2 4.06Å; I244-W267 HydrophobicContact CD1-CH2 4.33Å; I244-W267 HydrophobicContact CD1-CZ2 4.38Å; I244-W267 HydrophobicContact CG2-CH2 4.32Å; I244-W267 HydrophobicContact CG2-CZ2 3.81Å; W267-L274 HydrophobicContact CD2-CB 4.25Å; W267-L274 HydrophobicContact CD2-CD1 3.9Å; W267-L274 HydrophobicContact CE3-CB 3.85Å; W267-L274 HydrophobicContact CE3-CD1 4.35Å; W267-L274 HydrophobicContact CG-CD1 4.16Å; W267-L274 HydrophobicContact CH2-CB 3.72Å; W267-L274 HydrophobicContact CH2-CD2 4.42Å; W267-L274 HydrophobicContact CH2-CG 4.47Å; W267-L274 HydrophobicContact CZ2-CB 4.19Å; W267-L274 HydrophobicContact CZ2-CD1 4.27Å; W267-L274 HydrophobicContact CZ2-CD2 4.28Å; W267-L274 HydrophobicContact CZ2-CG 4.49Å; W267-L274 HydrophobicContact CZ3-CB 3.58Å; W267-P297 HydrophobicContact CH2-CB 4.24Å; W267-P297 HydrophobicContact CH2-CG 4.27Å; W267-P297 HydrophobicContact CZ3-CB 4.49Å; W267-P297 HydrophobicContact CZ3-CG 4.02Å; W267-W317 VanDerWaalsContact O-CD1 3.22Å
268N89.4Confident91Very high6 Ų624.7 Ų24.73%0.03214%0.138CC..  trans-67.8164.216573.2-8.4000111C270 G271 S272 V273 W317N268-C270 PolarHBondContact ND2-SG 3.36Å; N268-C270 PolarHBondContact O-N 3.04Å; N268-C270 VanDerWaalsContact O-N 3.11Å; N268-G271 PolarHBondContact O-N 3.13Å; N268-G271 VanDerWaalsContact O-N 3.09Å; N268-G271 WeakPolarHBondContact OD1-CA 3.35Å; N268-G271 PolarHBondContact OD1-N 3.45Å; N268-S272 PolarHBondContact ND2-OG 3.35Å; N268-S272 PolarHBondContact OD1-N 2.87Å; N268-V273 HydrophobicContact CB-CB 4.5Å; N268-V273 PolarHBondContact N-O 3.12Å; N268-V273 PolarHBondContact ND2-N 3.32Å; N268-V273 PolarHBondContact OD1-N 3.31Å; N268-V273 VanDerWaalsContact OD1-N 3.08Å; N268-V273 PolarHBondContact OD1-O 3.26Å; N268-W317 HydrophobicContact CB-CD2 3.77Å; N268-W317 HydrophobicContact CB-CE3 4.03Å; N268-W317 HydrophobicContact CB-CG 4.22Å; N268-W317 HydrophobicContact CB-CH2 4.12Å; N268-W317 HydrophobicContact CB-CZ2 3.89Å; N268-W317 HydrophobicContact CB-CZ3 4.19Å
269H85.4Confident91.1Very high38 Ų3825.2 Ų25.218%0.17614%0.142CC..THydrogen-bonded Turntrans-68.6-11.5-172-70.6105.7000115.8K24 Y219 W317 E318 G319K24-H269 VanDerWaalsContact CD-CD2 3.45Å; K24-H269 WeakPolarHBondContact CD-CD2 3.13Å; Y219-H269 WeakPolarHBondContact CE2-O 3.45Å; H269-W317 PolarHBondContact CE1-O 2.91Å; H269-E318 PolarHBondContact CE1-O 3.41Å; H269-E318 VanDerWaalsContact CE1-O 3.31Å; H269-E318 PolarHBondContact ND1-O 3.36Å; H269-G319 WeakPolarHBondContact CB-O 3.33Å; H269-G319 WeakPolarHBondContact ND1-CA 3.3Å
270C78.2Confident91.1Very high48 Ų4821.5 Ų21.532%0.32412%0.122SC..THydrogen-bonded Turntrans-108.81.8175.2550000113.5Y219 N268 S272Y219-C270 VanDerWaalsContact CE2-C 3.48Å; Y219-C270 WeakPolarHBondContact OH-CA 3.47Å; Y219-C270 PolarHBondContact OH-O 3.43Å; Y219-C270 VanDerWaalsContact OH-O 3.08Å; N268-C270 PolarHBondContact ND2-SG 3.36Å; N268-C270 PolarHBondContact O-N 3.04Å; N268-C270 VanDerWaalsContact O-N 3.11Å; C270-S272 PolarHBondContact O-N 3.1Å; C270-S272 PolarHBondContact SG-OG 3.04Å
271G84.3Confident90.6Very high5 Ų529.9 Ų29.95%0.05215%0.153CC..SBendtrans66.415.817700000115N268 P297N268-G271 PolarHBondContact O-N 3.13Å; N268-G271 VanDerWaalsContact O-N 3.09Å; N268-G271 WeakPolarHBondContact OD1-CA 3.35Å; N268-G271 PolarHBondContact OD1-N 3.45Å; G271-P297 VanDerWaalsContact O-CG 3.23Å; G271-P297 WeakPolarHBondContact O-CG 3.46Å
272S84.1Confident89.6Confident41 Ų4127.8 Ų27.829%0.28715%0.148SC..SBendtrans-89.1-18.4178.7640000113.4N268 C270 P297N268-S272 PolarHBondContact ND2-OG 3.35Å; N268-S272 PolarHBondContact OD1-N 2.87Å; C270-S272 PolarHBondContact O-N 3.1Å; C270-S272 PolarHBondContact SG-OG 3.04Å; S272-P297 WeakPolarHBondContact O-CD 3.41Å
273V90.8Very high88Confident13 Ų1334.3 Ų34.38%0.07919%0.188CC..  trans-141.3128.6-176.6-174.70000110.9M1 N268 F294 Y295 L302 W317M1-V273 HydrophobicContact SD-CG2 4.44Å; N268-V273 HydrophobicContact CB-CB 4.5Å; N268-V273 PolarHBondContact N-O 3.12Å; N268-V273 PolarHBondContact ND2-N 3.32Å; N268-V273 PolarHBondContact OD1-N 3.31Å; N268-V273 VanDerWaalsContact OD1-N 3.08Å; N268-V273 PolarHBondContact OD1-O 3.26Å; V273-F294 HydrophobicContact CG1-CB 3.8Å; V273-F294 HydrophobicContact CG1-CD1 3.71Å; V273-F294 HydrophobicContact CG1-CG 4.24Å; V273-Y295 WeakPolarHBondContact CA-O 3.34Å; V273-L302 HydrophobicContact CG1-CD1 4.3Å; V273-L302 HydrophobicContact CG2-CD1 4.01Å; V273-W317 HydrophobicContact CG1-CH2 4.31Å; V273-W317 HydrophobicContact CG1-CZ2 4.27Å
274L94.3Very high86.3Confident0 Ų038.3 Ų38.30%021%0.21CC..EExtended strand (participates in β ladder)trans-96.1122166-178.464000109.2A234 I244 W267 V276 F294 Y295A234-L274 HydrophobicContact CB-CD1 3.98Å; A234-L274 HydrophobicContact CB-CD2 3.88Å; I244-L274 HydrophobicContact CD1-CD2 3.72Å; I244-L274 HydrophobicContact CG1-CD2 4.39Å; W267-L274 HydrophobicContact CD2-CB 4.25Å; W267-L274 HydrophobicContact CD2-CD1 3.9Å; W267-L274 HydrophobicContact CE3-CB 3.85Å; W267-L274 HydrophobicContact CE3-CD1 4.35Å; W267-L274 HydrophobicContact CG-CD1 4.16Å; W267-L274 HydrophobicContact CH2-CB 3.72Å; W267-L274 HydrophobicContact CH2-CD2 4.42Å; W267-L274 HydrophobicContact CH2-CG 4.47Å; W267-L274 HydrophobicContact CZ2-CB 4.19Å; W267-L274 HydrophobicContact CZ2-CD1 4.27Å; W267-L274 HydrophobicContact CZ2-CD2 4.28Å; W267-L274 HydrophobicContact CZ2-CG 4.49Å; W267-L274 HydrophobicContact CZ3-CB 3.58Å; L274-V276 HydrophobicContact CD2-CG2 4.07Å; L274-V276 HydrophobicContact CG-CG2 4.05Å; L274-F294 WeakPolarHBondContact O-CA 3.48Å; L274-Y295 PolarHBondContact N-O 3.09Å; L274-Y295 PolarHBondContact O-N 3.36Å
275A95.6Very high84.7Confident0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-91.1126.3168.100000109.7I265 Q266 V292 F294 I315 W317 I324I265-A275 WeakPolarHBondContact CA-O 3.25Å; Q266-A275 PolarHBondContact N-O 2.77Å; Q266-A275 PolarHBondContact O-N 2.93Å; A275-V292 HydrophobicContact CB-CG1 4.13Å; A275-F294 HydrophobicContact CB-CD1 4.06Å; A275-F294 HydrophobicContact CB-CE1 3.91Å; A275-I315 HydrophobicContact CB-CD1 3.6Å; A275-W317 HydrophobicContact CB-CZ2 3.72Å; A275-I324 HydrophobicContact CB-CD1 3.87Å
276V96.2Very high83Confident0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-116.5119.2174-175.80000107.8A258 M260 V262 I265 L274 V292 Q293 Y295A258-V276 HydrophobicContact CB-CG1 4.34Å; M260-V276 HydrophobicContact CE-CB 4.2Å; M260-V276 HydrophobicContact CE-CG1 3.8Å; V262-V276 HydrophobicContact CB-CG1 4.42Å; V262-V276 HydrophobicContact CG1-CG1 3.77Å; V262-V276 HydrophobicContact CG2-CG1 3.65Å; I265-V276 HydrophobicContact CG2-CB 4.42Å; I265-V276 HydrophobicContact CG2-CG1 4.07Å; I265-V276 HydrophobicContact CG2-CG2 4.22Å; L274-V276 HydrophobicContact CD2-CG2 4.07Å; L274-V276 HydrophobicContact CG-CG2 4.05Å; V276-V292 CarbonylContact O-C 3.59Å; V276-V292 WeakPolarHBondContact O-CA 3.32Å; V276-Q293 PolarHBondContact N-O 3.4Å; V276-Q293 PolarHBondContact O-N 2.84Å; V276-Y295 HydrophobicContact CB-CE2 4.41Å; V276-Y295 HydrophobicContact CG2-CD2 3.97Å; V276-Y295 HydrophobicContact CG2-CE2 4.23Å
277A95.5Very high82Confident0 Ų056.7 Ų56.70%030%0.298CS..EExtended strand (participates in β ladder)trans-122.9135-16900000111.2I263 S264 V292 L312 I315I263-A277 PolarHBondContact N-O 3.43Å; S264-A277 PolarHBondContact N-O 2.9Å; S264-A277 PolarHBondContact O-N 3.04Å; A277-V292 HydrophobicContact CB-CG1 4.17Å; A277-V292 HydrophobicContact CB-CG2 4.05Å; A277-L312 HydrophobicContact CB-CD2 3.62Å; A277-I315 HydrophobicContact CB-CD1 4.03Å; A277-I315 HydrophobicContact CB-CG1 4.36Å; A277-I315 HydrophobicContact CB-CG2 3.46Å; A277-I315 VanDerWaalsContact CB-CG2 3.46Å
278G93.6Very high81.4Confident0 Ų060.7 Ų60.70%032%0.317CS..EExtended strand (participates in β ladder)trans-174.9-167.7-171.100000114.4N261 V291N261-G278 CarbonylContact O-C 3.1Å; N261-G278 WeakPolarHBondContact O-CA 3.49Å; G278-V291 PolarHBondContact N-O 3.01Å; G278-V291 PolarHBondContact O-N 3.28Å
279S91.4Very high81.2Confident13 Ų1364.3 Ų64.39%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-111.8129.4174660000111.6M260 N261 F289M260-S279 WeakPolarHBondContact CB-O 3.1Å; N261-S279 PolarHBondContact N-O 3.17Å; N261-S279 PolarHBondContact O-N 3.45Å; S279-F289 WeakPolarHBondContact CA-O 3.24Å
280L88.2Confident81.5Confident52 Ų5262.7 Ų62.727%0.27233%0.325SS..EExtended strand (participates in β ladder)trans-105.3126.4178.3-177.467.2000109.8L259 M260 F289 V291L259-L280 WeakPolarHBondContact O-CD1 3.43Å; M260-L280 HydrophobicContact CB-CB 4.34Å; M260-L280 HydrophobicContact CB-CD1 4.08Å; L280-F289 PolarHBondContact N-O 3.41Å; L280-F289 PolarHBondContact O-N 3.29Å; L280-V291 HydrophobicContact CB-CG1 4.26Å; L280-V291 HydrophobicContact CB-CG2 3.76Å
281R80.8Confident82.3Confident185 Ų18560.5 Ų60.570%0.69831%0.31SS*.EExtended strand (participates in β ladder)trans-87122.8170.2-77-177.9178.5-176.80.1109.6E288R281-E288 HydrophobicContact CG-CG 3.59Å; R281-E288 IonicContact CZ-OE1 3.82Å; R281-E288 IonicContact NE-OE1 2.74Å; R281-E288 PolarHBondContact NE-OE1 2.97Å; R281-E288 IonicContact NH2-OE1 3.02Å; R281-E288 PolarHBondContact NH2-OE1 3.45Å
282A70.4Confident82.7Confident39 Ų3960.3 Ų60.332%0.32231%0.308SS..  trans-74.9132.8173.800000110N284 M285 F289A282-N284 PolarHBondContact O-N 3Å; A282-M285 HydrophobicContact CB-CB 4.28Å; A282-M285 PolarHBondContact O-N 3.3Å; A282-F289 HydrophobicContact CB-CE2 4.24Å
283T60.9Low83.2Confident142 Ų14259.2 Ų59.287%0.87130%0.298SS*.THydrogen-bonded Turntrans-59.7-17.9-176.542.30000114.9
284N57.1Low83.4Confident148 Ų14858.6 Ų58.679%0.79130%0.295SS*.THydrogen-bonded Turntrans-119.63.8-175.9-68.3-15.6000114.5A282A282-N284 PolarHBondContact O-N 3Å
285M58.4Low83.3Confident132 Ų13259.3 Ų59.365%0.6530%0.297SS*.  trans-143.1132.1-177.7-68.8-85.5152.300109.6A282 K287A282-M285 HydrophobicContact CB-CB 4.28Å; A282-M285 PolarHBondContact O-N 3.3Å; M285-K287 HydrophobicContact CB-CB 4.31Å; M285-K287 PolarHBondContact O-N 3.15Å
286D60.7Low83.1Confident188 Ų18860.1 Ų60.1100%1.00530%0.302SS*.SBendtrans-64.919.7171.4-79.8-26.9000113.8
287K74.3Confident82.7Confident135 Ų13560.3 Ų60.359%0.58730%0.304SS*.  trans-105.6115.7-175.5-163.7169.8-178.4176.60109.9M285 F289M285-K287 HydrophobicContact CB-CB 4.31Å; M285-K287 PolarHBondContact O-N 3.15Å; K287-F289 HydrophobicContact CB-CE2 4.17Å; K287-F289 HydrophobicContact CB-CZ 4.18Å; K287-F289 HydrophobicContact CD-CE1 4.07Å; K287-F289 HydrophobicContact CD-CZ 3.82Å; K287-F289 HydrophobicContact CG-CE1 4.25Å; K287-F289 HydrophobicContact CG-CE2 4.27Å; K287-F289 HydrophobicContact CG-CZ 3.92Å; K287-F289 WeakPolarHBondContact O-CD2 3.43Å; K287-F289 WeakPolarHBondContact O-CE2 3.27Å
288E79.6Confident82.5Confident90 Ų9063.9 Ų63.942%0.42132%0.319SS..EExtended strand (participates in β ladder)trans-78.1138.4169.9-74.4-179.8-172.900110.6R281R281-E288 HydrophobicContact CG-CG 3.59Å; R281-E288 IonicContact CZ-OE1 3.82Å; R281-E288 IonicContact NE-OE1 2.74Å; R281-E288 PolarHBondContact NE-OE1 2.97Å; R281-E288 IonicContact NH2-OE1 3.02Å; R281-E288 PolarHBondContact NH2-OE1 3.45Å
289F86.2Confident82.2Confident82 Ų8265 Ų6536%0.3633%0.33SS..EExtended strand (participates in β ladder)trans-120.2133.9175.4-61.4-84.5000110.3S279 L280 A282 K287 V291S279-F289 WeakPolarHBondContact CA-O 3.24Å; L280-F289 PolarHBondContact N-O 3.41Å; L280-F289 PolarHBondContact O-N 3.29Å; A282-F289 HydrophobicContact CB-CE2 4.24Å; K287-F289 HydrophobicContact CB-CE2 4.17Å; K287-F289 HydrophobicContact CB-CZ 4.18Å; K287-F289 HydrophobicContact CD-CE1 4.07Å; K287-F289 HydrophobicContact CD-CZ 3.82Å; K287-F289 HydrophobicContact CG-CE1 4.25Å; K287-F289 HydrophobicContact CG-CE2 4.27Å; K287-F289 HydrophobicContact CG-CZ 3.92Å; K287-F289 WeakPolarHBondContact O-CD2 3.43Å; K287-F289 WeakPolarHBondContact O-CE2 3.27Å; F289-V291 HydrophobicContact CB-CG1 4.5Å
290N92.1Very high82.1Confident4 Ų470.5 Ų70.52%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-72.5128.3170.2-67.7-60.5000109.5V307 G309 K310 L312N290-V307 HydrophobicContact CB-CB 4.25Å; N290-V307 PolarHBondContact O-N 3.34Å; N290-G309 VanDerWaalsContact ND2-C 3.29Å; N290-G309 PolarHBondContact ND2-O 2.94Å; N290-K310 VanDerWaalsContact ND2-C 3.32Å; N290-K310 PolarHBondContact ND2-O 3.32Å; N290-L312 HydrophobicContact CB-CB 4.36Å; N290-L312 WeakPolarHBondContact OD1-CB 3.31Å; N290-L312 PolarHBondContact OD1-N 3.02Å
291V93Very high82.1Confident2 Ų272.6 Ų72.61%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-137.3149.5-177.9-64.80000111.4M260 G278 L280 F289 T304 L305 K306M260-V291 HydrophobicContact SD-CG2 3.58Å; M260-V291 VanDerWaalsContact SD-CG2 3.58Å; G278-V291 PolarHBondContact N-O 3.01Å; G278-V291 PolarHBondContact O-N 3.28Å; L280-V291 HydrophobicContact CB-CG1 4.26Å; L280-V291 HydrophobicContact CB-CG2 3.76Å; F289-V291 HydrophobicContact CB-CG1 4.5Å; V291-T304 HydrophobicContact CB-CG2 4.25Å; V291-T304 HydrophobicContact CG1-CG2 4.35Å; V291-L305 CarbonylContact C-O 3.6Å; V291-L305 VanDerWaalsContact CA-O 3.29Å; V291-L305 WeakPolarHBondContact CA-O 3.49Å; V291-K306 HydrophobicContact CG1-CG 4.21Å
292V94.6Very high82.4Confident0 Ų066.5 Ų66.50%034%0.344CS..EExtended strand (participates in β ladder)trans-123.4118.6168.3-1700000107.6A275 V276 A277 F294 T304 L305 V307 L326A275-V292 HydrophobicContact CB-CG1 4.13Å; V276-V292 CarbonylContact O-C 3.59Å; V276-V292 WeakPolarHBondContact O-CA 3.32Å; A277-V292 HydrophobicContact CB-CG1 4.17Å; A277-V292 HydrophobicContact CB-CG2 4.05Å; V292-F294 HydrophobicContact CB-CE2 4.08Å; V292-F294 HydrophobicContact CB-CZ 4.25Å; V292-F294 HydrophobicContact CG1-CE1 4.2Å; V292-F294 HydrophobicContact CG1-CE2 3.82Å; V292-F294 HydrophobicContact CG1-CZ 3.64Å; V292-T304 CarbonylContact O-C 3.59Å; V292-T304 WeakPolarHBondContact O-CA 3.33Å; V292-L305 HydrophobicContact CB-CB 4.39Å; V292-L305 PolarHBondContact N-O 3.1Å; V292-L305 PolarHBondContact O-N 3.18Å; V292-V307 HydrophobicContact CG2-CG2 4.28Å; V292-L326 HydrophobicContact CG2-CD1 4.32Å; V292-L326 HydrophobicContact CG2-CD2 3.82Å
293Q94Very high83.2Confident18 Ų1866.3 Ų66.38%0.08434%0.335CS..EExtended strand (participates in β ladder)trans-101140.6174.7-66.3178.1-7.300109.4A258 M260 V276 Y295 R303 T304A258-Q293 PolarHBondContact O-NE2 3.34Å; A258-Q293 PolarHBondContact O-OE1 3.34Å; M260-Q293 HydrophobicContact CE-CB 3.81Å; M260-Q293 HydrophobicContact CE-CG 3.57Å; M260-Q293 VanDerWaalsContact CE-OE1 3.23Å; V276-Q293 PolarHBondContact N-O 3.4Å; V276-Q293 PolarHBondContact O-N 2.84Å; Q293-Y295 HydrophobicContact CB-CD2 4.29Å; Q293-Y295 HydrophobicContact CB-CE2 3.52Å; Q293-Y295 PolarHBondContact OE1-OH 3.03Å; Q293-R303 WeakPolarHBondContact CA-O 3.47Å; Q293-T304 HydrophobicContact CG-CG2 4.07Å
294F93.8Very high84.6Confident0 Ų062.4 Ų62.40%031%0.311CS..EExtended strand (participates in β ladder)trans-114.8129.2-178.3-62-91.1000109.4M1 I3 V273 L274 A275 V292 L302 R303 L305 W317 I324 I337M1-F294 HydrophobicContact CE-CB 3.62Å; M1-F294 HydrophobicContact CE-CG 4.04Å; I3-F294 HydrophobicContact CD1-CD1 4.29Å; I3-F294 HydrophobicContact CD1-CD2 3.35Å; I3-F294 HydrophobicContact CD1-CE1 4.25Å; I3-F294 HydrophobicContact CD1-CE2 3.34Å; I3-F294 HydrophobicContact CD1-CG 3.87Å; I3-F294 HydrophobicContact CD1-CZ 3.8Å; V273-F294 HydrophobicContact CG1-CB 3.8Å; V273-F294 HydrophobicContact CG1-CD1 3.71Å; V273-F294 HydrophobicContact CG1-CG 4.24Å; L274-F294 WeakPolarHBondContact O-CA 3.48Å; A275-F294 HydrophobicContact CB-CD1 4.06Å; A275-F294 HydrophobicContact CB-CE1 3.91Å; V292-F294 HydrophobicContact CB-CE2 4.08Å; V292-F294 HydrophobicContact CB-CZ 4.25Å; V292-F294 HydrophobicContact CG1-CE1 4.2Å; V292-F294 HydrophobicContact CG1-CE2 3.82Å; V292-F294 HydrophobicContact CG1-CZ 3.64Å; F294-L302 HydrophobicContact CB-CB 4.39Å; F294-L302 WeakPolarHBondContact O-CB 3.38Å; F294-L302 PolarHBondContact O-N 2.99Å; F294-R303 HydrophobicContact CD2-CB 4.5Å; F294-R303 PolarHBondContact N-O 2.98Å; F294-L305 HydrophobicContact CE2-CB 4.03Å; F294-W317 AromaticContact CD1-CH2 3.96Å; F294-W317 HydrophobicContact CD1-CH2 3.96Å; F294-W317 HydrophobicContact CD1-CZ2 4.04Å; F294-W317 AromaticContact CE1-CH2 3.66Å; F294-W317 HydrophobicContact CE1-CH2 3.66Å; F294-W317 AromaticContact CE1-CZ2 3.82Å; F294-W317 HydrophobicContact CE1-CZ2 3.82Å; F294-I324 HydrophobicContact CE1-CD1 4.23Å; F294-I324 HydrophobicContact CZ-CG2 4.42Å; F294-I337 HydrophobicContact CD1-CD1 4.35Å; F294-I337 HydrophobicContact CE1-CD1 3.73Å; F294-I337 HydrophobicContact CZ-CD1 4.14Å
295Y93Very high86.1Confident15 Ų1556.1 Ų56.16%0.05928%0.277CS..EExtended strand (participates in β ladder)trans-125.2150.1-176-68.3-87.9000111.9I256 V273 L274 V276 Q293 E300 H301I256-Y295 HydrophobicContact CD1-CD1 3.91Å; I256-Y295 HydrophobicContact CD1-CD2 4.42Å; I256-Y295 HydrophobicContact CD1-CG 3.86Å; I256-Y295 HydrophobicContact CG2-CD1 4.07Å; I256-Y295 HydrophobicContact CG2-CE1 3.61Å; I256-Y295 HydrophobicContact CG2-CE2 4.12Å; V273-Y295 WeakPolarHBondContact CA-O 3.34Å; L274-Y295 PolarHBondContact N-O 3.09Å; L274-Y295 PolarHBondContact O-N 3.36Å; V276-Y295 HydrophobicContact CB-CE2 4.41Å; V276-Y295 HydrophobicContact CG2-CD2 3.97Å; V276-Y295 HydrophobicContact CG2-CE2 4.23Å; Q293-Y295 HydrophobicContact CB-CD2 4.29Å; Q293-Y295 HydrophobicContact CB-CE2 3.52Å; Q293-Y295 PolarHBondContact OE1-OH 3.03Å; Y295-E300 CarbonylContact C-O 3.59Å; Y295-E300 VanDerWaalsContact CA-O 3.23Å; Y295-E300 WeakPolarHBondContact CA-O 3.5Å; Y295-H301 HydrophobicContact CD1-CB 4.16Å; Y295-H301 HydrophobicContact CE1-CB 3.78Å; Y295-H301 AromaticContact CE1-CD2 3.89Å; Y295-H301 AromaticContact CZ-CD2 3.83Å
296T90.8Very high87.6Confident17 Ų1757.2 Ų57.210%0.10428%0.278CS..  trans-73.1164.8166.767.50000110.8F298 G299 E300 L302T296-F298 PolarHBondContact O-N 2.84Å; T296-F298 VanDerWaalsContact O-N 3.09Å; T296-F298 PolarHBondContact OG1-N 3.26Å; T296-G299 PolarHBondContact O-N 2.96Å; T296-G299 PolarHBondContact OG1-N 3.44Å; T296-E300 HydrophobicContact CG2-CB 4.02Å; T296-E300 PolarHBondContact N-O 3.12Å; T296-E300 WeakPolarHBondContact OG1-CB 3.5Å; T296-E300 PolarHBondContact OG1-N 3.22Å; T296-L302 HydrophobicContact CG2-CD1 3.95Å; T296-L302 HydrophobicContact CG2-CD2 3.55Å; T296-L302 HydrophobicContact CG2-CG 3.77Å
297P89.3Confident89Confident4 Ų448.8 Ų48.83%0.02623%0.233CC..THydrogen-bonded Turntrans-53.7-24.4169.7-28.537.8000115.2P231 W267 G271 S272P231-P297 WeakPolarHBondContact CG-O 3.49Å; W267-P297 HydrophobicContact CH2-CB 4.24Å; W267-P297 HydrophobicContact CH2-CG 4.27Å; W267-P297 HydrophobicContact CZ3-CB 4.49Å; W267-P297 HydrophobicContact CZ3-CG 4.02Å; G271-P297 VanDerWaalsContact O-CG 3.23Å; G271-P297 WeakPolarHBondContact O-CG 3.46Å; S272-P297 WeakPolarHBondContact O-CD 3.41Å
298F89.6Confident89.7Confident76 Ų7646.2 Ų46.233%0.33323%0.233SC..THydrogen-bonded Turntrans-95.47.6-178.4-53.4-70.8000113.3E227 P231 V254 T296E227-F298 HydrophobicContact CB-CZ 4.14Å; E227-F298 HydrophobicContact CG-CE2 4.38Å; E227-F298 HydrophobicContact CG-CZ 4.39Å; E227-F298 WeakPolarHBondContact OE2-CZ 3.39Å; P231-F298 HydrophobicContact CG-CD1 4.44Å; V254-F298 VanDerWaalsContact CG1-O 3.32Å; V254-F298 WeakPolarHBondContact CG1-O 3.16Å; T296-F298 PolarHBondContact O-N 2.84Å; T296-F298 VanDerWaalsContact O-N 3.09Å; T296-F298 PolarHBondContact OG1-N 3.26Å
299G88.4Confident90Very high22 Ų2243.9 Ų43.923%0.22723%0.232CC..  trans8410.3174.300000115T296T296-G299 PolarHBondContact O-N 2.96Å; T296-G299 PolarHBondContact OG1-N 3.44Å
300E88.1Confident89.9Confident130 Ų13047.8 Ų47.861%0.60725%0.249SC*.  trans-77.2132.9175.4-55.2-176.6145.900110.7Y295 T296 L302Y295-E300 CarbonylContact C-O 3.59Å; Y295-E300 VanDerWaalsContact CA-O 3.23Å; Y295-E300 WeakPolarHBondContact CA-O 3.5Å; T296-E300 HydrophobicContact CG2-CB 4.02Å; T296-E300 PolarHBondContact N-O 3.12Å; T296-E300 WeakPolarHBondContact OG1-CB 3.5Å; T296-E300 PolarHBondContact OG1-N 3.22Å; E300-L302 PolarHBondContact O-N 3.43Å
301H89.6Confident89.7Confident95 Ų9553.6 Ų53.644%0.4428%0.276SS..EExtended strand (participates in β ladder)trans-75.4121.5176.8179.7-98.8000110.8Y295 R303 T304Y295-H301 HydrophobicContact CD1-CB 4.16Å; Y295-H301 HydrophobicContact CE1-CB 3.78Å; Y295-H301 AromaticContact CE1-CD2 3.89Å; Y295-H301 AromaticContact CZ-CD2 3.83Å; H301-R303 PolarHBondContact NE2-O 2.91Å; H301-T304 PolarHBondContact CE1-OG1 2.64Å; H301-T304 VanDerWaalsContact CE1-OG1 3.23Å; H301-T304 PolarHBondContact NE2-OG1 3.29Å
302L87.1Confident89.7Confident57 Ų5753.8 Ų53.830%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-92.6-53.3179.5-63.6172.9000111.9M1 V273 F294 T296 E300M1-L302 HydrophobicContact CE-CB 3.55Å; M1-L302 HydrophobicContact CE-CD1 3.88Å; M1-L302 HydrophobicContact CE-CG 4.37Å; M1-L302 HydrophobicContact SD-CD1 4.45Å; V273-L302 HydrophobicContact CG1-CD1 4.3Å; V273-L302 HydrophobicContact CG2-CD1 4.01Å; F294-L302 HydrophobicContact CB-CB 4.39Å; F294-L302 WeakPolarHBondContact O-CB 3.38Å; F294-L302 PolarHBondContact O-N 2.99Å; T296-L302 HydrophobicContact CG2-CD1 3.95Å; T296-L302 HydrophobicContact CG2-CD2 3.55Å; T296-L302 HydrophobicContact CG2-CG 3.77Å; E300-L302 PolarHBondContact O-N 3.43Å
303R86.8Confident89.5Confident36 Ų3655.2 Ų55.214%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-159.4157.3-175.9-82.7-52-162.9-147.412112.4M1 I3 Q293 F294 H301 H542 I558M1-R303 HydrophobicContact CE-CB 4.05Å; M1-R303 HydrophobicContact CE-CG 4.3Å; M1-R303 WeakPolarHBondContact O-CG 3.41Å; M1-R303 PolarHBondContact O-NE 3.43Å; I3-R303 HydrophobicContact CD1-CB 4.04Å; Q293-R303 WeakPolarHBondContact CA-O 3.47Å; F294-R303 HydrophobicContact CD2-CB 4.5Å; F294-R303 PolarHBondContact N-O 2.98Å; H301-R303 PolarHBondContact NE2-O 2.91Å; R303-H542 PolarHBondContact NH2-CD2 3.02Å; R303-I558 PolarHBondContact NH1-O 3.49Å; R303-I558 VanDerWaalsContact NH1-O 3.12Å; R303-I558 PolarHBondContact NH2-O 3.36Å
304T89.2Confident89.4Confident60 Ų6054.7 Ų54.737%0.36829%0.286SS..EExtended strand (participates in β ladder)trans-120.8123.3170.3-58.60000110V291 V292 Q293 H301V291-T304 HydrophobicContact CB-CG2 4.25Å; V291-T304 HydrophobicContact CG1-CG2 4.35Å; V292-T304 CarbonylContact O-C 3.59Å; V292-T304 WeakPolarHBondContact O-CA 3.33Å; Q293-T304 HydrophobicContact CG-CG2 4.07Å; H301-T304 PolarHBondContact CE1-OG1 2.64Å; H301-T304 VanDerWaalsContact CE1-OG1 3.23Å; H301-T304 PolarHBondContact NE2-OG1 3.29Å
305L90.3Very high89.4Confident15 Ų1555 Ų558%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-99.7122.1172.9178.266.9000109.7I3 L5 V291 V292 F294 V307 L326 A335I3-L305 HydrophobicContact CG2-CD1 4.15Å; I3-L305 HydrophobicContact CG2-CD2 4.07Å; I3-L305 HydrophobicContact CG2-CG 4.49Å; L5-L305 HydrophobicContact CD2-CD2 4.26Å; L5-L305 HydrophobicContact CG-CD1 4.34Å; V291-L305 CarbonylContact C-O 3.6Å; V291-L305 VanDerWaalsContact CA-O 3.29Å; V291-L305 WeakPolarHBondContact CA-O 3.49Å; V292-L305 HydrophobicContact CB-CB 4.39Å; V292-L305 PolarHBondContact N-O 3.1Å; V292-L305 PolarHBondContact O-N 3.18Å; F294-L305 HydrophobicContact CE2-CB 4.03Å; L305-V307 HydrophobicContact CD2-CG2 4.22Å; L305-V307 HydrophobicContact CG-CG2 4.13Å; L305-L326 HydrophobicContact CD2-CD1 4.16Å; L305-A335 HydrophobicContact CD2-CB 3.61Å
306K89.8Confident89.5Confident156 Ų15654.3 Ų54.368%0.67829%0.285SS*.EExtended strand (participates in β ladder)trans-88132.7171.2-66-178.4-179.6177.90109.8V291V291-K306 HydrophobicContact CG1-CG 4.21Å
307V90.1Very high89.6Confident10 Ų1053.6 Ų53.66%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-120.8136.1-176.6-169.40000109.3N290 V292 L305 L326 V328 Y333N290-V307 HydrophobicContact CB-CB 4.25Å; N290-V307 PolarHBondContact O-N 3.34Å; V292-V307 HydrophobicContact CG2-CG2 4.28Å; L305-V307 HydrophobicContact CD2-CG2 4.22Å; L305-V307 HydrophobicContact CG-CG2 4.13Å; V307-L326 HydrophobicContact CG1-CD1 4.3Å; V307-L326 HydrophobicContact CG2-CD1 3.74Å; V307-V328 HydrophobicContact CG1-CG2 3.9Å; V307-Y333 HydrophobicContact CG1-CD2 4.35Å; V307-Y333 HydrophobicContact CG1-CG 4.32Å
308S88.4Confident89.6Confident82 Ų8255.2 Ų55.257%0.57329%0.288SS*.  trans-82.3137.8177.8-60.60000110.8Y333S308-Y333 PolarHBondContact O-OH 3.38Å
309G85.3Confident89.1Confident40 Ų4052.5 Ų52.541%0.41228%0.281SS..SBendtrans141.4177.2178.700000111.2N290N290-G309 VanDerWaalsContact ND2-C 3.29Å; N290-G309 PolarHBondContact ND2-O 2.94Å
310K85.5Confident88.6Confident164 Ų16454.1 Ų54.171%0.71330%0.298SS*.SBendtrans-93.8-56.6179.1-66.3-177.3179.5-179.40111.4N290 D329N290-K310 VanDerWaalsContact ND2-C 3.32Å; N290-K310 PolarHBondContact ND2-O 3.32Å; K310-D329 PolarHBondContact N-OD2 3.03Å
311H87.1Confident88.3Confident126 Ų12648.3 Ų48.358%0.58327%0.273SS*.  trans-122113.3-173.5-57.3-66.3000111.8V328 D329H311-V328 CarbonylContact O-C 3.54Å; H311-V328 WeakPolarHBondContact O-CA 3.25Å; H311-D329 IonicContact CD2-OD1 2.8Å; H311-D329 PolarHBondContact N-OD1 3.05Å; H311-D329 PolarHBondContact O-N 3.34Å
312L92.2Very high88.1Confident6 Ų645.5 Ų45.53%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-77.9132.2165.1178.778.1000109.3I263 A277 N290 I315 L326 V328I263-L312 HydrophobicContact CD1-CB 4.27Å; I263-L312 WeakPolarHBondContact CD1-O 3.47Å; A277-L312 HydrophobicContact CB-CD2 3.62Å; N290-L312 HydrophobicContact CB-CB 4.36Å; N290-L312 WeakPolarHBondContact OD1-CB 3.31Å; N290-L312 PolarHBondContact OD1-N 3.02Å; L312-I315 HydrophobicContact CD1-CG2 4.49Å; L312-L326 HydrophobicContact CD1-CB 4.27Å; L312-V328 HydrophobicContact CB-CG2 4.49Å; L312-V328 HydrophobicContact CD1-CG2 3.59Å
313S91.4Very high88.2Confident31 Ų3144.5 Ų44.522%0.21725%0.253CS..EExtended strand (participates in β ladder)trans-116.5-23.6-178.655.70000114.6L17 A327L17-S313 WeakPolarHBondContact O-CB 3.33Å; L17-S313 PolarHBondContact O-OG 3.48Å; S313-A327 PolarHBondContact N-O 3.1Å; S313-A327 WeakPolarHBondContact OG-CB 3.33Å; S313-A327 PolarHBondContact OG-O 3.08Å
314G90.9Very high88.4Confident6 Ų642.8 Ų42.86%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-175.1164177.500000113.8A327G314-A327 PolarHBondContact O-N 3.48Å
315I95.4Very high88.6Confident7 Ų739.9 Ų39.94%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-129.8149.5178.463.2163.6000110.3Q266 A275 A277 L312 I324 A325 L326Q266-I315 HydrophobicContact CB-CD1 4.08Å; Q266-I315 HydrophobicContact CB-CG1 4.35Å; A275-I315 HydrophobicContact CB-CD1 3.6Å; A277-I315 HydrophobicContact CB-CD1 4.03Å; A277-I315 HydrophobicContact CB-CG1 4.36Å; A277-I315 HydrophobicContact CB-CG2 3.46Å; A277-I315 VanDerWaalsContact CB-CG2 3.46Å; L312-I315 HydrophobicContact CD1-CG2 4.49Å; I315-I324 HydrophobicContact CB-CD1 4.25Å; I315-I324 HydrophobicContact CD1-CD1 4.19Å; I315-A325 CarbonylContact C-O 3.4Å; I315-A325 WeakPolarHBondContact CA-O 3.45Å; I315-L326 HydrophobicContact CB-CD2 4.03Å; I315-L326 HydrophobicContact CG2-CD2 3.34Å
316S94.3Very high88.8Confident1 Ų139.2 Ų39.21%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-148134.8170.2-164.20000113.5W22 A325W22-S316 VanDerWaalsContact CB-OG 3.27Å; W22-S316 WeakPolarHBondContact CB-OG 3.34Å; W22-S316 PolarHBondContact N-OG 3.05Å; S316-A325 PolarHBondContact N-O 3.08Å; S316-A325 PolarHBondContact O-N 3.02Å
317W92.4Very high89.1Confident1 Ų131.8 Ų31.80%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-77.9144.6176.2-71.2102.3000113.8W22 Q266 W267 N268 H269 V273 A275 F294 G321 I324 I337W22-W317 WeakPolarHBondContact CB-O 3.5Å; Q266-W317 PolarHBondContact O-NE1 3.15Å; W267-W317 VanDerWaalsContact O-CD1 3.22Å; N268-W317 HydrophobicContact CB-CD2 3.77Å; N268-W317 HydrophobicContact CB-CE3 4.03Å; N268-W317 HydrophobicContact CB-CG 4.22Å; N268-W317 HydrophobicContact CB-CH2 4.12Å; N268-W317 HydrophobicContact CB-CZ2 3.89Å; N268-W317 HydrophobicContact CB-CZ3 4.19Å; H269-W317 PolarHBondContact CE1-O 2.91Å; V273-W317 HydrophobicContact CG1-CH2 4.31Å; V273-W317 HydrophobicContact CG1-CZ2 4.27Å; A275-W317 HydrophobicContact CB-CZ2 3.72Å; F294-W317 AromaticContact CD1-CH2 3.96Å; F294-W317 HydrophobicContact CD1-CH2 3.96Å; F294-W317 HydrophobicContact CD1-CZ2 4.04Å; F294-W317 AromaticContact CE1-CH2 3.66Å; F294-W317 HydrophobicContact CE1-CH2 3.66Å; F294-W317 AromaticContact CE1-CZ2 3.82Å; F294-W317 HydrophobicContact CE1-CZ2 3.82Å; W317-G321 WeakPolarHBondContact CZ3-O 3.27Å; W317-I324 HydrophobicContact CD2-CB 4.39Å; W317-I324 HydrophobicContact CD2-CD1 4.19Å; W317-I324 HydrophobicContact CD2-CG1 4.31Å; W317-I324 HydrophobicContact CE3-CB 4.07Å; W317-I324 HydrophobicContact CE3-CG1 4.49Å; W317-I324 HydrophobicContact CZ2-CD1 4.12Å; W317-I324 HydrophobicContact CZ3-CB 4.29Å; W317-I337 HydrophobicContact CH2-CD1 3.33Å; W317-I337 HydrophobicContact CZ3-CD1 3.29Å; W317-I337 HydrophobicContact CZ3-CG1 4.28Å
318E90.1Very high89.2Confident39 Ų3931.3 Ų31.318%0.18219%0.19CC..  trans-68.7150.4162.6-179.5-175.3-156.100110.1W22 H269 G320 G321 R323W22-E318 HydrophobicContact CD2-CB 4.2Å; W22-E318 HydrophobicContact CE3-CB 4.1Å; W22-E318 HydrophobicContact CH2-CB 3.82Å; W22-E318 HydrophobicContact CH2-CG 4.19Å; W22-E318 HydrophobicContact CZ2-CB 3.91Å; W22-E318 HydrophobicContact CZ2-CG 3.88Å; W22-E318 HydrophobicContact CZ3-CB 3.91Å; H269-E318 PolarHBondContact CE1-O 3.41Å; H269-E318 VanDerWaalsContact CE1-O 3.31Å; H269-E318 PolarHBondContact ND1-O 3.36Å; E318-G320 PolarHBondContact O-N 3.32Å; E318-G320 VanDerWaalsContact O-N 3.08Å; E318-G321 PolarHBondContact O-N 3.4Å; E318-R323 HydrophobicContact CB-CB 3.95Å; E318-R323 WeakPolarHBondContact CB-O 3.06Å; E318-R323 VanDerWaalsContact CD-NE 3.32Å; E318-R323 PolarHBondContact N-O 3.38Å; E318-R323 IonicContact OE1-CZ 3.5Å; E318-R323 IonicContact OE1-NE 2.73Å; E318-R323 PolarHBondContact OE1-NE 3.16Å; E318-R323 IonicContact OE1-NH2 3.81Å; E318-R323 PolarHBondContact OE1-NH2 3.08Å; E318-R323 VanDerWaalsContact OE2-CB 3.26Å; E318-R323 WeakPolarHBondContact OE2-CB 3.19Å; E318-R323 VanDerWaalsContact OE2-CG 3.31Å; E318-R323 WeakPolarHBondContact OE2-CG 3.22Å; E318-R323 IonicContact OE2-CZ 3.29Å; E318-R323 IonicContact OE2-NE 2.73Å; E318-R323 PolarHBondContact OE2-NE 2.98Å; E318-R323 IonicContact OE2-NH2 3.75Å
319G79.6Confident89.4Confident18 Ų1828.4 Ų28.419%0.18617%0.168CC..THydrogen-bonded Turntrans-52.1-32.3-179.300000116.5K24 H269K24-G319 WeakPolarHBondContact O-CA 3.2Å; H269-G319 WeakPolarHBondContact CB-O 3.33Å; H269-G319 WeakPolarHBondContact ND1-CA 3.3Å
320G76.1Confident89.7Confident57 Ų5726.9 Ų26.959%0.58815%0.151SC*.THydrogen-bonded Turntrans-83.1-8.1175.500000115.2E318 L322E318-G320 PolarHBondContact O-N 3.32Å; E318-G320 VanDerWaalsContact O-N 3.08Å; G320-L322 PolarHBondContact O-N 2.99Å
321G82.9Confident90.1Very high7 Ų722.2 Ų22.27%0.07213%0.13CC..SBendtrans734.6-178.500000115.3W317 E318W317-G321 WeakPolarHBondContact CZ3-O 3.27Å; E318-G321 PolarHBondContact O-N 3.4Å
322L85.6Confident90.4Very high37 Ų3716.2 Ų16.219%0.19410%0.102CC..SBendtrans-92.2-6.9-179.2-58.8-179.5000113.4G320 I337 P339 D647G320-L322 PolarHBondContact O-N 2.99Å; L322-I337 PolarHBondContact O-N 3.18Å; L322-P339 HydrophobicContact CD2-CG 3.4Å; L322-D647 HydrophobicContact CD1-CB 3.82Å
323R88.2Confident90.4Very high35 Ų3517 Ų1713%0.13211%0.105CC..EExtended strand (participates in β ladder)trans-139.7151175.1-64.3-176.4-90.6-169.9-5.7110.9W22 E318 A335 N336W22-R323 HydrophobicContact CH2-CB 4.27Å; W22-R323 HydrophobicContact CZ3-CB 4.36Å; E318-R323 HydrophobicContact CB-CB 3.95Å; E318-R323 WeakPolarHBondContact CB-O 3.06Å; E318-R323 VanDerWaalsContact CD-NE 3.32Å; E318-R323 PolarHBondContact N-O 3.38Å; E318-R323 IonicContact OE1-CZ 3.5Å; E318-R323 IonicContact OE1-NE 2.73Å; E318-R323 PolarHBondContact OE1-NE 3.16Å; E318-R323 IonicContact OE1-NH2 3.81Å; E318-R323 PolarHBondContact OE1-NH2 3.08Å; E318-R323 VanDerWaalsContact OE2-CB 3.26Å; E318-R323 WeakPolarHBondContact OE2-CB 3.19Å; E318-R323 VanDerWaalsContact OE2-CG 3.31Å; E318-R323 WeakPolarHBondContact OE2-CG 3.22Å; E318-R323 IonicContact OE2-CZ 3.29Å; E318-R323 IonicContact OE2-NE 2.73Å; E318-R323 PolarHBondContact OE2-NE 2.98Å; E318-R323 IonicContact OE2-NH2 3.75Å; R323-A335 VanDerWaalsContact CA-O 3.3Å; R323-A335 WeakPolarHBondContact CA-O 3.35Å; R323-N336 VanDerWaalsContact CD-OD1 3.24Å; R323-N336 WeakPolarHBondContact CD-OD1 3.19Å; R323-N336 HydrophobicContact CG-CB 4.49Å; R323-N336 WeakPolarHBondContact CG-OD1 3.28Å
324I92.4Very high90.4Very high0 Ų015.8 Ų15.80%010%0.095CC..EExtended strand (participates in β ladder)trans-131136174.3-168.8171.2000109A275 F294 I315 W317 L326 F334 A335 I337A275-I324 HydrophobicContact CB-CD1 3.87Å; F294-I324 HydrophobicContact CE1-CD1 4.23Å; F294-I324 HydrophobicContact CZ-CG2 4.42Å; I315-I324 HydrophobicContact CB-CD1 4.25Å; I315-I324 HydrophobicContact CD1-CD1 4.19Å; W317-I324 HydrophobicContact CD2-CB 4.39Å; W317-I324 HydrophobicContact CD2-CD1 4.19Å; W317-I324 HydrophobicContact CD2-CG1 4.31Å; W317-I324 HydrophobicContact CE3-CB 4.07Å; W317-I324 HydrophobicContact CE3-CG1 4.49Å; W317-I324 HydrophobicContact CZ2-CD1 4.12Å; W317-I324 HydrophobicContact CZ3-CB 4.29Å; I324-L326 HydrophobicContact CD1-CD2 4.27Å; I324-L326 HydrophobicContact CG1-CD2 4.19Å; I324-F334 WeakPolarHBondContact O-CA 3.08Å; I324-A335 HydrophobicContact CG2-CB 3.77Å; I324-A335 PolarHBondContact N-O 2.82Å; I324-A335 PolarHBondContact O-N 3.36Å; I324-I337 HydrophobicContact CG2-CD1 4.41Å
325A93.4Very high90.3Very high0 Ų015.5 Ų15.50%09%0.092CC..EExtended strand (participates in β ladder)trans-101.5142173.500000109.6L20 W22 I315 S316 I332 Y333 F334L20-A325 VanDerWaalsContact CD2-C 3.49Å; L20-A325 HydrophobicContact CD2-CB 3.69Å; L20-A325 WeakPolarHBondContact CD2-O 3.38Å; W22-A325 HydrophobicContact CE3-CB 3.65Å; W22-A325 HydrophobicContact CZ3-CB 3.76Å; I315-A325 CarbonylContact C-O 3.4Å; I315-A325 WeakPolarHBondContact CA-O 3.45Å; S316-A325 PolarHBondContact N-O 3.08Å; S316-A325 PolarHBondContact O-N 3.02Å; A325-I332 HydrophobicContact CB-CG2 4.28Å; A325-Y333 CarbonylContact C-O 3.58Å; A325-Y333 WeakPolarHBondContact CA-O 3.39Å; A325-F334 HydrophobicContact CB-CD1 3.93Å; A325-F334 HydrophobicContact CB-CE1 3.73Å; A325-F334 HydrophobicContact CB-CZ 4.45Å
326L94.8Very high90Very high0 Ų015.4 Ų15.40%09%0.092CC..EExtended strand (participates in β ladder)trans-131.3125-174-49167.7000108.3L5 V292 L305 V307 L312 I315 I324 V328 I332 Y333L5-L326 HydrophobicContact CD2-CD1 4.45Å; V292-L326 HydrophobicContact CG2-CD1 4.32Å; V292-L326 HydrophobicContact CG2-CD2 3.82Å; L305-L326 HydrophobicContact CD2-CD1 4.16Å; V307-L326 HydrophobicContact CG1-CD1 4.3Å; V307-L326 HydrophobicContact CG2-CD1 3.74Å; L312-L326 HydrophobicContact CD1-CB 4.27Å; I315-L326 HydrophobicContact CB-CD2 4.03Å; I315-L326 HydrophobicContact CG2-CD2 3.34Å; I324-L326 HydrophobicContact CD1-CD2 4.27Å; I324-L326 HydrophobicContact CG1-CD2 4.19Å; L326-V328 HydrophobicContact CB-CG2 4.44Å; L326-I332 CarbonylContact O-C 3.59Å; L326-I332 WeakPolarHBondContact O-CA 3.44Å; L326-Y333 PolarHBondContact N-O 2.91Å; L326-Y333 PolarHBondContact O-N 3.16Å
327A94.4Very high89.7Confident0 Ų015.7 Ų15.70%09%0.093CC..EExtended strand (participates in β ladder)trans-91114.517300000109.2L17 L20 S313 G314L17-A327 HydrophobicContact CB-CB 3.98Å; L17-A327 HydrophobicContact CD1-CB 4.04Å; L20-A327 HydrophobicContact CB-CB 4.04Å; L20-A327 HydrophobicContact CD2-CB 4.25Å; S313-A327 PolarHBondContact N-O 3.1Å; S313-A327 WeakPolarHBondContact OG-CB 3.33Å; S313-A327 PolarHBondContact OG-O 3.08Å; G314-A327 PolarHBondContact O-N 3.48Å
328V93.6Very high89.4Confident0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-132117.1-179.6-1750000108.9V307 H311 L312 L326 S330 Y331 Y333V307-V328 HydrophobicContact CG1-CG2 3.9Å; H311-V328 CarbonylContact O-C 3.54Å; H311-V328 WeakPolarHBondContact O-CA 3.25Å; L312-V328 HydrophobicContact CB-CG2 4.49Å; L312-V328 HydrophobicContact CD1-CG2 3.59Å; L326-V328 HydrophobicContact CB-CG2 4.44Å; V328-S330 PolarHBondContact O-N 2.54Å; V328-Y331 PolarHBondContact N-O 3.35Å; V328-Y331 WeakPolarHBondContact O-CA 3.19Å; V328-Y331 WeakPolarHBondContact O-CB 3.25Å; V328-Y331 PolarHBondContact O-N 3.09Å; V328-Y333 HydrophobicContact CB-CD2 3.93Å; V328-Y333 HydrophobicContact CB-CE2 3.97Å; V328-Y333 HydrophobicContact CG1-CE2 4.47Å; V328-Y333 HydrophobicContact CG2-CD2 3.99Å; V328-Y333 HydrophobicContact CG2-CE2 4.41Å
329D92.1Very high89.1Confident22 Ų2216 Ų1612%0.11810%0.097CC..THydrogen-bonded Turntrans50.6-116.8-174-54.6-46.5000111.5H16 L17 K310 H311H16-D329 WeakPolarHBondContact CA-O 3.31Å; L17-D329 PolarHBondContact N-O 2.85Å; K310-D329 PolarHBondContact N-OD2 3.03Å; H311-D329 IonicContact CD2-OD1 2.8Å; H311-D329 PolarHBondContact N-OD1 3.05Å; H311-D329 PolarHBondContact O-N 3.34Å
330S92.1Very high89.4Confident8 Ų820.6 Ų20.66%0.05612%0.118CC..THydrogen-bonded Turntrans-100.121.2176.459.90000113.4I11 I15 V328I11-S330 VanDerWaalsContact CB-O 3.28Å; I11-S330 WeakPolarHBondContact CB-O 3.4Å; I11-S330 WeakPolarHBondContact CG1-O 3.38Å; I11-S330 PolarHBondContact N-O 2.86Å; I15-S330 WeakPolarHBondContact O-CA 3.41Å; I15-S330 VanDerWaalsContact O-CB 3.28Å; I15-S330 WeakPolarHBondContact O-CB 3.47Å; V328-S330 PolarHBondContact O-N 2.54Å
331Y93.3Very high90Very high66 Ų6620 Ų2026%0.25910%0.098SC..EExtended strand (participates in β ladder)trans-128.2146.2-174.5-56.7-77000112.7K8 I9 A10 V328 Y333K8-Y331 HydrophobicContact CD-CD1 4.18Å; K8-Y331 HydrophobicContact CD-CG 4.42Å; K8-Y331 HydrophobicContact CG-CD1 4.16Å; K8-Y331 HydrophobicContact CG-CG 4.43Å; I9-Y331 CarbonylContact O-C 3.5Å; I9-Y331 VanDerWaalsContact O-CA 3.28Å; I9-Y331 WeakPolarHBondContact O-CA 3.12Å; A10-Y331 HydrophobicContact CB-CD1 3.73Å; A10-Y331 HydrophobicContact CB-CE1 3.59Å; V328-Y331 PolarHBondContact N-O 3.35Å; V328-Y331 WeakPolarHBondContact O-CA 3.19Å; V328-Y331 WeakPolarHBondContact O-CB 3.25Å; V328-Y331 PolarHBondContact O-N 3.09Å; Y331-Y333 HydrophobicContact CG-CE2 4.45Å
332I92.6Very high90.5Very high0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-105.4112.8166.8-54.1174.2000107.7K8 I9 I11 L17 L20 C31 L41 A325 L326 F334K8-I332 CarbonylContact C-O 3.6Å; K8-I332 WeakPolarHBondContact CA-O 3.35Å; I9-I332 HydrophobicContact CB-CB 4.4Å; I9-I332 PolarHBondContact N-O 2.85Å; I9-I332 PolarHBondContact O-N 3.32Å; I11-I332 HydrophobicContact CD1-CD1 4.15Å; I11-I332 HydrophobicContact CD1-CG1 4.45Å; L17-I332 HydrophobicContact CD1-CD1 4.22Å; L17-I332 HydrophobicContact CD1-CG1 3.51Å; L20-I332 HydrophobicContact CD1-CD1 4.25Å; L20-I332 HydrophobicContact CD1-CG2 4.44Å; C31-I332 HydrophobicContact CB-CD1 3.92Å; L41-I332 HydrophobicContact CD1-CD1 3.78Å; A325-I332 HydrophobicContact CB-CG2 4.28Å; L326-I332 CarbonylContact O-C 3.59Å; L326-I332 WeakPolarHBondContact O-CA 3.44Å; I332-F334 HydrophobicContact CB-CE2 4.31Å; I332-F334 HydrophobicContact CG2-CD2 4.36Å; I332-F334 HydrophobicContact CG2-CE1 4.44Å; I332-F334 HydrophobicContact CG2-CE2 3.65Å; I332-F334 HydrophobicContact CG2-CZ 3.71Å
333Y92.5Very high90.9Very high23 Ų2323 Ų239%0.0911%0.106CC..EExtended strand (participates in β ladder)trans-91.8141172-72.7-94.7000109.9L5 K7 K8 V307 S308 A325 L326 V328 Y331L5-Y333 HydrophobicContact CD1-CD1 4.46Å; L5-Y333 HydrophobicContact CD2-CD1 4.31Å; K7-Y333 CarbonylContact O-C 3.42Å; K7-Y333 WeakPolarHBondContact O-CA 3.1Å; K8-Y333 HydrophobicContact CB-CD1 4.15Å; K8-Y333 HydrophobicContact CB-CE1 4.12Å; K8-Y333 HydrophobicContact CD-CD1 4.45Å; K8-Y333 HydrophobicContact CD-CE1 3.65Å; K8-Y333 HydrophobicContact CD-CE2 4.36Å; K8-Y333 WeakPolarHBondContact CE-OH 3.33Å; K8-Y333 HydrophobicContact CG-CD1 4.17Å; K8-Y333 HydrophobicContact CG-CE1 3.86Å; K8-Y333 HydrophobicContact CG-CE2 4.39Å; K8-Y333 PolarHBondContact NZ-OH 3.21Å; V307-Y333 HydrophobicContact CG1-CD2 4.35Å; V307-Y333 HydrophobicContact CG1-CG 4.32Å; S308-Y333 PolarHBondContact O-OH 3.38Å; A325-Y333 CarbonylContact C-O 3.58Å; A325-Y333 WeakPolarHBondContact CA-O 3.39Å; L326-Y333 PolarHBondContact N-O 2.91Å; L326-Y333 PolarHBondContact O-N 3.16Å; V328-Y333 HydrophobicContact CB-CD2 3.93Å; V328-Y333 HydrophobicContact CB-CE2 3.97Å; V328-Y333 HydrophobicContact CG1-CE2 4.47Å; V328-Y333 HydrophobicContact CG2-CD2 3.99Å; V328-Y333 HydrophobicContact CG2-CE2 4.41Å; Y331-Y333 HydrophobicContact CG-CE2 4.45Å
334F90.9Very high91.2Very high4 Ų421.6 Ų21.62%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-113.6131.1171-64-91.6000108.6S6 K7 I9 W22 I29 L43 I324 A325 I332S6-F334 PolarHBondContact N-O 3.16Å; S6-F334 PolarHBondContact OG-O 3.1Å; K7-F334 HydrophobicContact CB-CB 4.1Å; K7-F334 HydrophobicContact CB-CD2 3.96Å; K7-F334 HydrophobicContact CB-CG 4.39Å; K7-F334 HydrophobicContact CD-CD2 4.3Å; K7-F334 HydrophobicContact CG-CD2 4.29Å; K7-F334 PolarHBondContact N-O 2.96Å; K7-F334 PolarHBondContact O-N 3.3Å; I9-F334 HydrophobicContact CD1-CE2 3.57Å; I9-F334 HydrophobicContact CD1-CZ 4.15Å; I9-F334 HydrophobicContact CG1-CE2 3.9Å; W22-F334 HydrophobicContact CE3-CE1 4.46Å; W22-F334 AromaticContact CH2-CD1 3.84Å; W22-F334 HydrophobicContact CH2-CD1 3.84Å; W22-F334 AromaticContact CH2-CE1 3.73Å; W22-F334 HydrophobicContact CH2-CE1 3.73Å; W22-F334 AromaticContact CZ3-CD1 3.76Å; W22-F334 HydrophobicContact CZ3-CD1 3.76Å; W22-F334 AromaticContact CZ3-CE1 3.69Å; W22-F334 HydrophobicContact CZ3-CE1 3.69Å; I29-F334 HydrophobicContact CD1-CE1 3.61Å; I29-F334 HydrophobicContact CD1-CZ 3.73Å; L43-F334 HydrophobicContact CD1-CD1 4.42Å; L43-F334 HydrophobicContact CD1-CE1 4Å; L43-F334 HydrophobicContact CD1-CZ 4.43Å; I324-F334 WeakPolarHBondContact O-CA 3.08Å; A325-F334 HydrophobicContact CB-CD1 3.93Å; A325-F334 HydrophobicContact CB-CE1 3.73Å; A325-F334 HydrophobicContact CB-CZ 4.45Å; I332-F334 HydrophobicContact CB-CE2 4.31Å; I332-F334 HydrophobicContact CG2-CD2 4.36Å; I332-F334 HydrophobicContact CG2-CE1 4.44Å; I332-F334 HydrophobicContact CG2-CE2 3.65Å; I332-F334 HydrophobicContact CG2-CZ 3.71Å
335A90.6Very high91.2Very high0 Ų022.9 Ų22.90%011%0.108CC..EExtended strand (participates in β ladder)trans-113.1134168.700000109.4I3 Y4 L5 L305 R323 I324I3-A335 HydrophobicContact CG2-CB 3.99Å; Y4-A335 CarbonylContact O-C 3.53Å; Y4-A335 VanDerWaalsContact O-CA 3.27Å; Y4-A335 WeakPolarHBondContact O-CA 3.21Å; L5-A335 HydrophobicContact CD2-CB 4.13Å; L305-A335 HydrophobicContact CD2-CB 3.61Å; R323-A335 VanDerWaalsContact CA-O 3.3Å; R323-A335 WeakPolarHBondContact CA-O 3.35Å; I324-A335 HydrophobicContact CG2-CB 3.77Å; I324-A335 PolarHBondContact N-O 2.82Å; I324-A335 PolarHBondContact O-N 3.36Å
336N88.1Confident91.1Very high6 Ų623 Ų233%0.03211%0.108CC..EExtended strand (participates in β ladder)trans-93.2140.2172.4-68.32.8000108.9I3 Y4 S6 A56 R323I3-N336 WeakPolarHBondContact CA-O 3.49Å; Y4-N336 HydrophobicContact CD1-CB 4.34Å; Y4-N336 HydrophobicContact CE1-CB 3.71Å; Y4-N336 HydrophobicContact CE2-CB 4.24Å; Y4-N336 PolarHBondContact N-O 3.16Å; Y4-N336 VanDerWaalsContact N-O 3.11Å; Y4-N336 PolarHBondContact O-N 3.38Å; Y4-N336 PolarHBondContact OH-ND2 3.5Å; S6-N336 WeakPolarHBondContact CB-OD1 3.4Å; S6-N336 PolarHBondContact OG-OD1 2.86Å; A56-N336 WeakPolarHBondContact CB-ND2 3.4Å; R323-N336 VanDerWaalsContact CD-OD1 3.24Å; R323-N336 WeakPolarHBondContact CD-OD1 3.19Å; R323-N336 HydrophobicContact CG-CB 4.49Å; R323-N336 WeakPolarHBondContact CG-OD1 3.28Å
337I87.5Confident90.7Very high6 Ų625.8 Ų25.83%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-115.2129.8179.8-50.1-156.1000107.9M1 I3 F294 W317 L322 I324M1-I337 HydrophobicContact CG-CG2 3.88Å; M1-I337 HydrophobicContact SD-CG2 3.64Å; I3-I337 HydrophobicContact CD1-CD1 4.13Å; I3-I337 HydrophobicContact CG1-CB 4.27Å; I3-I337 HydrophobicContact CG1-CD1 4.16Å; I3-I337 HydrophobicContact CG1-CG1 4Å; I3-I337 HydrophobicContact CG1-CG2 3.96Å; I3-I337 HydrophobicContact CG2-CG1 4.34Å; F294-I337 HydrophobicContact CD1-CD1 4.35Å; F294-I337 HydrophobicContact CE1-CD1 3.73Å; F294-I337 HydrophobicContact CZ-CD1 4.14Å; W317-I337 HydrophobicContact CH2-CD1 3.33Å; W317-I337 HydrophobicContact CZ3-CD1 3.29Å; W317-I337 HydrophobicContact CZ3-CG1 4.28Å; L322-I337 PolarHBondContact O-N 3.18Å; I324-I337 HydrophobicContact CG2-CD1 4.41Å
338R86.4Confident90.5Very high14 Ų1426.7 Ų26.75%0.05313%0.133CC..EExtended strand (participates in β ladder)trans-106.2106.3169-66.3-62.5179.7-171.9-7.5108.2M1 F2 S630 D647M1-R338 WeakPolarHBondContact CA-O 3.4Å; F2-R338 HydrophobicContact CB-CB 4.32Å; F2-R338 PolarHBondContact N-O 3.14Å; F2-R338 PolarHBondContact O-N 3.48Å; R338-S630 VanDerWaalsContact CZ-CB 3.42Å; R338-S630 PolarHBondContact NH2-OG 3.44Å; R338-D647 IonicContact CZ-OD2 2.76Å; R338-D647 IonicContact NH1-OD2 3.34Å; R338-D647 PolarHBondContact NH1-OD2 2.78Å
339P84.7Confident90.5Very high32 Ų3226.8 Ų26.821%0.20813%0.134CC..  trans-61.4155.2176.6-23.735.7000111.6L322 Y341 Y632L322-P339 HydrophobicContact CD2-CG 3.4Å; P339-Y341 HydrophobicContact CB-CD1 4.23Å; P339-Y341 HydrophobicContact CB-CD2 4.46Å; P339-Y341 HydrophobicContact CB-CE1 3.83Å; P339-Y341 HydrophobicContact CB-CE2 4.09Å; P339-Y341 HydrophobicContact CG-CE1 4.19Å; P339-Y341 HydrophobicContact CG-CE2 4.28Å; P339-Y341 PolarHBondContact O-N 3.38Å; P339-Y632 PolarHBondContact O-OH 3.29Å
340D85.5Confident90.7Very high116 Ų11625.7 Ų25.762%0.6213%0.128SC*.  trans-9585.2171.9-145.7-22.5000108.1M1M1-D340 PolarHBondContact N-OD2 2.87Å
341Y89.3Confident90.9Very high44 Ų4425.3 Ų25.317%0.17313%0.126CC..  trans-70.8147.1-178.5-63.1-64.4000110.7P339 W343 Y632 L646 D647 M650P339-Y341 HydrophobicContact CB-CD1 4.23Å; P339-Y341 HydrophobicContact CB-CD2 4.46Å; P339-Y341 HydrophobicContact CB-CE1 3.83Å; P339-Y341 HydrophobicContact CB-CE2 4.09Å; P339-Y341 HydrophobicContact CG-CE1 4.19Å; P339-Y341 HydrophobicContact CG-CE2 4.28Å; P339-Y341 PolarHBondContact O-N 3.38Å; Y341-W343 VanDerWaalsContact O-CD1 3.31Å; Y341-W343 PolarHBondContact O-N 3.09Å; Y341-W343 VanDerWaalsContact O-N 3.15Å; Y341-Y632 HydrophobicContact CD2-CE1 4.42Å; Y341-Y632 HydrophobicContact CD2-CE2 4.31Å; Y341-Y632 AromaticContact CD2-CZ 3.9Å; Y341-Y632 HydrophobicContact CE2-CE2 4.22Å; Y341-L646 HydrophobicContact CD2-CB 3.7Å; Y341-L646 HydrophobicContact CD2-CD1 3.8Å; Y341-L646 HydrophobicContact CD2-CG 4.41Å; Y341-L646 HydrophobicContact CE2-CB 3.83Å; Y341-L646 HydrophobicContact CG-CD1 4.41Å; Y341-D647 WeakPolarHBondContact CE2-OD1 3.49Å; Y341-D647 PolarHBondContact OH-OD1 3Å; Y341-M650 HydrophobicContact CD1-CE 3.75Å; Y341-M650 HydrophobicContact CD1-CG 4.05Å; Y341-M650 HydrophobicContact CD1-SD 4.45Å; Y341-M650 HydrophobicContact CE1-CB 4.34Å; Y341-M650 HydrophobicContact CE1-CE 4.3Å; Y341-M650 HydrophobicContact CE1-CG 3.64Å; Y341-M650 HydrophobicContact CE1-SD 4.48Å; Y341-M650 HydrophobicContact CE2-CG 4.47Å; Y341-M650 HydrophobicContact CG-CE 4.02Å
342K91.7Very high91Very high59 Ų5922.2 Ų22.226%0.25711%0.113SC..SBendtrans-78.597.1167.5-64.5173.2-174.4171.70107.6Y352 A353 Y362 L382 I383 I385K342-Y352 WeakPolarHBondContact O-CA 3.47Å; K342-A353 HydrophobicContact CB-CB 4.21Å; K342-A353 PolarHBondContact O-N 3.26Å; K342-Y362 HydrophobicContact CD-CE1 4.37Å; K342-Y362 PolarHBondContact NZ-OH 3.16Å; K342-Y362 VanDerWaalsContact NZ-OH 3.14Å; K342-L382 HydrophobicContact CD-CD2 4.17Å; K342-L382 HydrophobicContact CD-CG 4.4Å; K342-L382 PolarHBondContact NZ-O 3.41Å; K342-I383 VanDerWaalsContact CE-O 3.26Å; K342-I383 WeakPolarHBondContact CE-O 3.25Å; K342-I385 HydrophobicContact CB-CD1 4.28Å; K342-I385 HydrophobicContact CB-CG1 4.36Å
343W94.9Very high91Very high48 Ų4822.6 Ų22.618%0.18212%0.117CC..EExtended strand (participates in β ladder)trans-151169.3-175.583.3-76.9000113.1Y341 V350 V351 Y632 V644 L646Y341-W343 VanDerWaalsContact O-CD1 3.31Å; Y341-W343 PolarHBondContact O-N 3.09Å; Y341-W343 VanDerWaalsContact O-N 3.15Å; W343-V350 HydrophobicContact CE3-CG1 4.47Å; W343-V351 CarbonylContact C-O 3.52Å; W343-V351 WeakPolarHBondContact CA-O 3.47Å; W343-V351 WeakPolarHBondContact CB-O 3.48Å; W343-Y632 HydrophobicContact CZ2-CD1 4.28Å; W343-Y632 HydrophobicContact CZ2-CG 4.32Å; W343-Y632 AromaticContact NE1-CD1 3.95Å; W343-V644 HydrophobicContact CE3-CG1 4.41Å; W343-V644 HydrophobicContact CH2-CG1 4.25Å; W343-V644 HydrophobicContact CZ3-CG1 3.89Å; W343-L646 HydrophobicContact CB-CD1 4.17Å; W343-L646 VanDerWaalsContact CD1-CD1 3.48Å; W343-L646 HydrophobicContact CD2-CD1 3.53Å; W343-L646 HydrophobicContact CD2-CD2 4.45Å; W343-L646 HydrophobicContact CE3-CD1 4.2Å; W343-L646 HydrophobicContact CE3-CD2 4.41Å; W343-L646 HydrophobicContact CG-CD1 3.46Å; W343-L646 VanDerWaalsContact CG-CD1 3.46Å; W343-L646 HydrophobicContact CZ2-CD1 4.43Å
344G93.6Very high90.8Very high6 Ų622.8 Ų22.86%0.06212%0.117CC..EExtended strand (participates in β ladder)trans-167.4176.3169.200000112.3V351G344-V351 PolarHBondContact N-O 3.06Å; G344-V351 PolarHBondContact O-N 2.95Å
345Y93.6Very high90.4Very high27 Ų2724.4 Ų24.411%0.10613%0.128CC..EExtended strand (participates in β ladder)trans-132.1126.8178.1-178.5-104.6000110.6S348 T349 V350 T387 C634 N635 K642Y345-S348 VanDerWaalsContact OH-CA 3.31Å; Y345-S348 WeakPolarHBondContact OH-CA 3.38Å; Y345-T349 WeakPolarHBondContact CA-O 3.36Å; Y345-T349 WeakPolarHBondContact CD2-O 3.44Å; Y345-V350 HydrophobicContact CD2-CG2 3.92Å; Y345-V350 HydrophobicContact CE2-CG2 4.31Å; Y345-T387 PolarHBondContact N-OG1 3.06Å; Y345-T387 WeakPolarHBondContact O-CB 3.2Å; Y345-T387 PolarHBondContact O-OG1 2.94Å; Y345-C634 HydrophobicContact CD1-CB 3.86Å; Y345-C634 HydrophobicContact CD2-CB 4Å; Y345-C634 HydrophobicContact CE1-CB 4.3Å; Y345-C634 HydrophobicContact CE2-CB 4.42Å; Y345-C634 HydrophobicContact CG-CB 3.68Å; Y345-N635 HydrophobicContact CD1-CB 4.11Å; Y345-N635 HydrophobicContact CE1-CB 3.84Å; Y345-K642 HydrophobicContact CE1-CD 4.44Å; Y345-K642 HydrophobicContact CE2-CD 4.19Å; Y345-K642 WeakPolarHBondContact OH-CD 3.25Å; Y345-K642 PolarHBondContact OH-NZ 2.75Å; Y345-K642 VanDerWaalsContact OH-NZ 3.13Å
346C91.3Very high89.8Confident1 Ų126.2 Ų26.21%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-145.6138177.755.40000111.1S348 T349 T387 G389C346-S348 VanDerWaalsContact C-N 3.28Å; C346-S348 PolarHBondContact O-N 3.37Å; C346-S348 VanDerWaalsContact O-N 3.09Å; C346-T349 PolarHBondContact N-O 3.34Å; C346-T349 WeakPolarHBondContact O-CA 3.49Å; C346-T349 VanDerWaalsContact O-CB 3.27Å; C346-T349 WeakPolarHBondContact O-CB 3.32Å; C346-T349 PolarHBondContact O-N 2.91Å; C346-T387 HydrophobicContact CB-CG2 4.17Å; C346-G389 VanDerWaalsContact CA-O 3.26Å; C346-G389 WeakPolarHBondContact CA-O 3.39Å; C346-G389 WeakPolarHBondContact CB-O 3.28Å
347C87Confident89.1Confident60 Ų6030.7 Ų30.741%0.40517%0.165SC..THydrogen-bonded Turntrans42.148175.8-172.20000114.6T349 G389 D390C347-T349 PolarHBondContact O-N 3.03Å; C347-G389 PolarHBondContact N-O 2.66Å; C347-D390 HydrophobicContact CB-CB 4.36Å
348S89.9Confident88.5Confident18 Ų1839 Ų3913%0.12620%0.204CC..THydrogen-bonded Turntrans63.116-175.6-540000116.6Y345 C346 T369 K370Y345-S348 VanDerWaalsContact OH-CA 3.31Å; Y345-S348 WeakPolarHBondContact OH-CA 3.38Å; C346-S348 VanDerWaalsContact C-N 3.28Å; C346-S348 PolarHBondContact O-N 3.37Å; C346-S348 VanDerWaalsContact O-N 3.09Å; S348-T369 WeakPolarHBondContact O-CB 3.38Å; S348-T369 WeakPolarHBondContact O-CG2 3.46Å; S348-T369 PolarHBondContact O-N 3Å; S348-T369 PolarHBondContact O-OG1 2.99Å; S348-K370 VanDerWaalsContact OG-CE 3.25Å; S348-K370 WeakPolarHBondContact OG-CE 3.38Å
349T93.9Very high87.9Confident2 Ų243.7 Ų43.71%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-107.1129.5173.1-56.50000109.8Y345 C346 C347 V351 Y366 W367 S412Y345-T349 WeakPolarHBondContact CA-O 3.36Å; Y345-T349 WeakPolarHBondContact CD2-O 3.44Å; C346-T349 PolarHBondContact N-O 3.34Å; C346-T349 WeakPolarHBondContact O-CA 3.49Å; C346-T349 VanDerWaalsContact O-CB 3.27Å; C346-T349 WeakPolarHBondContact O-CB 3.32Å; C346-T349 PolarHBondContact O-N 2.91Å; C347-T349 PolarHBondContact O-N 3.03Å; T349-V351 HydrophobicContact CG2-CG2 4.13Å; T349-Y366 HydrophobicContact CG2-CD1 4.41Å; T349-W367 CarbonylContact C-O 3.58Å; T349-W367 WeakPolarHBondContact CA-O 3.42Å; T349-W367 WeakPolarHBondContact CG2-O 3.35Å; T349-S412 WeakPolarHBondContact CG2-O 3.33Å; T349-S412 PolarHBondContact OG1-O 3.16Å
350V95.3Very high87.3Confident0 Ų049.3 Ų49.30%025%0.245CC..EExtended strand (participates in β ladder)trans-88.8122166.7-176.80000107.7W343 Y345 Y352 W367 T369 V644 L646 L661W343-V350 HydrophobicContact CE3-CG1 4.47Å; Y345-V350 HydrophobicContact CD2-CG2 3.92Å; Y345-V350 HydrophobicContact CE2-CG2 4.31Å; V350-Y352 HydrophobicContact CG1-CD1 4.05Å; V350-W367 HydrophobicContact CB-CE3 4.09Å; V350-W367 HydrophobicContact CG2-CE3 4.22Å; V350-W367 HydrophobicContact CG2-CZ3 4.48Å; V350-W367 PolarHBondContact N-O 3.06Å; V350-W367 PolarHBondContact O-N 2.83Å; V350-T369 HydrophobicContact CG2-CG2 3.73Å; V350-V644 HydrophobicContact CG2-CG2 4.45Å; V350-L646 HydrophobicContact CG1-CD2 4.49Å; V350-L661 HydrophobicContact CG2-CD2 4.14Å
351V96.1Very high87.2Confident0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-105.8124.9176.4-171.40000108.3W343 G344 T349 V364 V365 Y366 I385W343-V351 CarbonylContact C-O 3.52Å; W343-V351 WeakPolarHBondContact CA-O 3.47Å; W343-V351 WeakPolarHBondContact CB-O 3.48Å; G344-V351 PolarHBondContact N-O 3.06Å; G344-V351 PolarHBondContact O-N 2.95Å; T349-V351 HydrophobicContact CG2-CG2 4.13Å; V351-V364 HydrophobicContact CG1-CG1 3.78Å; V351-V365 VanDerWaalsContact CA-O 3.25Å; V351-V365 WeakPolarHBondContact CA-O 3.32Å; V351-Y366 HydrophobicContact CB-CD1 4.48Å; V351-Y366 HydrophobicContact CG1-CD1 4.13Å; V351-Y366 HydrophobicContact CG1-CD2 4.49Å; V351-Y366 HydrophobicContact CG1-CE1 3.88Å; V351-Y366 HydrophobicContact CG1-CE2 4.24Å; V351-Y366 HydrophobicContact CG1-CG 4.42Å; V351-Y366 HydrophobicContact CG2-CD1 3.55Å; V351-Y366 HydrophobicContact CG2-CE1 3.74Å; V351-Y366 HydrophobicContact CG2-CG 4.29Å; V351-I385 HydrophobicContact CB-CG2 4.47Å; V351-I385 HydrophobicContact CG1-CD1 4.42Å; V351-I385 HydrophobicContact CG1-CG2 4.1Å
352Y95.1Very high87.2Confident0 Ų045.9 Ų45.90%023%0.226CC..EExtended strand (participates in β ladder)trans-147.6154.9178.561-83.6000111.3K342 V350 Y354 V364 V365 W367 I649 M650 P653K342-Y352 WeakPolarHBondContact O-CA 3.47Å; V350-Y352 HydrophobicContact CG1-CD1 4.05Å; Y352-Y354 HydrophobicContact CE2-CD1 4.33Å; Y352-V364 CarbonylContact O-C 3Å; Y352-V364 WeakPolarHBondContact O-CA 3.34Å; Y352-V365 HydrophobicContact CD1-CB 4.31Å; Y352-V365 HydrophobicContact CD2-CB 4.43Å; Y352-V365 HydrophobicContact CE1-CB 3.85Å; Y352-V365 HydrophobicContact CE1-CG1 3.91Å; Y352-V365 HydrophobicContact CE2-CB 3.97Å; Y352-V365 HydrophobicContact CE2-CG2 3.99Å; Y352-V365 PolarHBondContact N-O 3.23Å; Y352-V365 PolarHBondContact O-N 3.44Å; Y352-W367 HydrophobicContact CE1-CB 4.38Å; Y352-I649 HydrophobicContact CD2-CG2 4.26Å; Y352-I649 HydrophobicContact CE1-CG2 4.05Å; Y352-I649 HydrophobicContact CE2-CG2 3.7Å; Y352-M650 HydrophobicContact CD2-CE 3.96Å; Y352-M650 HydrophobicContact CD2-SD 4.37Å; Y352-M650 HydrophobicContact CG-CE 4.42Å; Y352-P653 HydrophobicContact CE2-CB 4.02Å; Y352-P653 PolarHBondContact OH-O 3.21Å
353A92.8Very high87.2Confident9 Ų943 Ų437%0.07421%0.213CC..EExtended strand (participates in β ladder)trans-119.5145.3179.100000112.9K342 Y362 C363 V364 L382 I385K342-A353 HydrophobicContact CB-CB 4.21Å; K342-A353 PolarHBondContact O-N 3.26Å; A353-Y362 HydrophobicContact CB-CD1 4.11Å; A353-C363 WeakPolarHBondContact CA-O 3.01Å; A353-V364 HydrophobicContact CB-CG2 4.22Å; A353-L382 HydrophobicContact CB-CD2 3.45Å; A353-L382 VanDerWaalsContact CB-CD2 3.45Å; A353-I385 HydrophobicContact CB-CD1 3.74Å
354Y88.4Confident87.2Confident26 Ų2640.8 Ų40.810%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-147.5160.9171.270.1-77.6000110.4Y352 K356 C363 V365 P653 E654Y352-Y354 HydrophobicContact CE2-CD1 4.33Å; Y354-K356 HydrophobicContact CD2-CG 4.33Å; Y354-K356 HydrophobicContact CE2-CD 4.37Å; Y354-K356 HydrophobicContact CE2-CG 3.68Å; Y354-K356 WeakPolarHBondContact OH-CE 3.38Å; Y354-C363 HydrophobicContact CD1-CB 3.99Å; Y354-C363 WeakPolarHBondContact CD1-O 3.31Å; Y354-C363 HydrophobicContact CE1-CB 3.57Å; Y354-C363 HydrophobicContact CE2-CB 4.16Å; Y354-C363 HydrophobicContact CG-CB 4.45Å; Y354-C363 PolarHBondContact N-O 3.29Å; Y354-C363 PolarHBondContact O-N 3.13Å; Y354-V365 HydrophobicContact CD1-CG2 4.3Å; Y354-V365 HydrophobicContact CE1-CG2 3.62Å; Y354-P653 HydrophobicContact CD1-CB 3.56Å; Y354-P653 HydrophobicContact CD1-CG 4.06Å; Y354-P653 HydrophobicContact CD2-CB 3.95Å; Y354-P653 HydrophobicContact CD2-CG 3.46Å; Y354-P653 VanDerWaalsContact CD2-CG 3.46Å; Y354-P653 HydrophobicContact CE1-CB 3.69Å; Y354-P653 HydrophobicContact CE1-CG 4.12Å; Y354-P653 HydrophobicContact CE2-CB 4.07Å; Y354-P653 HydrophobicContact CE2-CG 3.54Å; Y354-P653 HydrophobicContact CG-CB 3.7Å; Y354-P653 HydrophobicContact CG-CG 3.74Å; Y354-E654 VanDerWaalsContact OH-CG 3.28Å; Y354-E654 WeakPolarHBondContact OH-CG 3.41Å
355T81.9Confident87.3Confident38 Ų3840.6 Ų40.623%0.23320%0.202CC..EExtended strand (participates in β ladder)trans-102150174.154.30000110.3Y362T355-Y362 HydrophobicContact CG2-CD1 3.69Å; T355-Y362 HydrophobicContact CG2-CD2 4.28Å; T355-Y362 HydrophobicContact CG2-CE1 3.59Å; T355-Y362 HydrophobicContact CG2-CE2 4.17Å; T355-Y362 HydrophobicContact CG2-CG 4.06Å
356K79.9Confident87.4Confident39 Ų3939.3 Ų39.317%0.1720%0.197CC..EExtended strand (participates in β ladder)trans-106141.6173.6-67.4-172.1-174.3-166.30109.1Y354 E358 R359 E654Y354-K356 HydrophobicContact CD2-CG 4.33Å; Y354-K356 HydrophobicContact CE2-CD 4.37Å; Y354-K356 HydrophobicContact CE2-CG 3.68Å; Y354-K356 WeakPolarHBondContact OH-CE 3.38Å; K356-E358 PolarHBondContact O-N 3.17Å; K356-E358 VanDerWaalsContact O-N 3.09Å; K356-R359 HydrophobicContact CB-CB 4.31Å; K356-R359 CarbonylContact O-C 3.57Å; K356-R359 PolarHBondContact O-N 3.21Å; K356-E654 VanDerWaalsContact CE-OE1 3.24Å; K356-E654 WeakPolarHBondContact CE-OE1 3.21Å; K356-E654 IonicContact NZ-OE1 2.66Å; K356-E654 PolarHBondContact NZ-OE1 3.07Å
357P72.7Confident87.5Confident99 Ų9939.3 Ų39.364%0.64320%0.197SC*.THydrogen-bonded Turntrans-54.9-31.5174.6-26.234.5000113.5
358E75.5Confident87.8Confident181 Ų18137.5 Ų37.585%0.84618%0.184SC*.THydrogen-bonded Turntrans-82.2-15.7-179.2-61.6169.3-17100114.3K356K356-E358 PolarHBondContact O-N 3.17Å; K356-E358 VanDerWaalsContact O-N 3.09Å
359R73.1Confident87.8Confident112 Ų11237.5 Ų37.542%0.42318%0.183SC..EExtended strand (participates in β ladder)trans-132.5137.6-172.5-65.4-168.2-179.9-163.20.3112K356 Y378K356-R359 HydrophobicContact CB-CB 4.31Å; K356-R359 CarbonylContact O-C 3.57Å; K356-R359 PolarHBondContact O-N 3.21Å; R359-Y378 PolarHBondContact NH1-OH 3.4Å
360Q72.4Confident87.5Confident151 Ų15144.1 Ų44.171%0.70621%0.212SC*.EExtended strand (participates in β ladder)trans-78-22.5178.6-67175-9.700113.3P228P228-Q360 HydrophobicContact CG-CB 4.08Å; P228-Q360 HydrophobicContact CG-CG 4.19Å
361E83.5Confident87.1Confident60 Ų6049.3 Ų49.328%0.2824%0.239SC..EExtended strand (participates in β ladder)trans-85144.4-176.8-46.4-175.9147.100111.4C363 Y378 K380E361-C363 PolarHBondContact O-N 2.85Å; E361-Y378 WeakPolarHBondContact OE2-CB 3.35Å; E361-K380 HydrophobicContact CB-CG 4.46Å; E361-K380 HydrophobicContact CG-CG 3.77Å; E361-K380 WeakPolarHBondContact OE1-CE 3.5Å; E361-K380 IonicContact OE1-NZ 3.71Å
362Y87.9Confident86.7Confident27 Ų2753.3 Ų53.311%0.10626%0.26CS..EExtended strand (participates in β ladder)trans-66.4131.1170.3-79.1-94.6000109.9S226 K342 A353 T355 V364 Y378 V379 L382S226-Y362 PolarHBondContact O-OH 3.01Å; K342-Y362 HydrophobicContact CD-CE1 4.37Å; K342-Y362 PolarHBondContact NZ-OH 3.16Å; K342-Y362 VanDerWaalsContact NZ-OH 3.14Å; A353-Y362 HydrophobicContact CB-CD1 4.11Å; T355-Y362 HydrophobicContact CG2-CD1 3.69Å; T355-Y362 HydrophobicContact CG2-CD2 4.28Å; T355-Y362 HydrophobicContact CG2-CE1 3.59Å; T355-Y362 HydrophobicContact CG2-CE2 4.17Å; T355-Y362 HydrophobicContact CG2-CG 4.06Å; Y362-V364 PolarHBondContact O-N 3.32Å; Y362-Y378 WeakPolarHBondContact O-CA 3.39Å; Y362-V379 WeakPolarHBondContact CB-O 3.33Å; Y362-V379 PolarHBondContact N-O 3.38Å; Y362-V379 PolarHBondContact O-N 3.47Å; Y362-L382 HydrophobicContact CD1-CD2 4.27Å; Y362-L382 HydrophobicContact CD2-CB 3.69Å; Y362-L382 HydrophobicContact CE2-CB 4.29Å; Y362-L382 HydrophobicContact CG-CB 3.81Å; Y362-L382 HydrophobicContact CG-CD2 4.16Å
363C92Very high86.4Confident0 Ų058.3 Ų58.30%028%0.284CS..EExtended strand (participates in β ladder)trans-87.3101.4170.3-62.80000108.5A353 Y354 E361 V376 Y378A353-C363 WeakPolarHBondContact CA-O 3.01Å; Y354-C363 HydrophobicContact CD1-CB 3.99Å; Y354-C363 WeakPolarHBondContact CD1-O 3.31Å; Y354-C363 HydrophobicContact CE1-CB 3.57Å; Y354-C363 HydrophobicContact CE2-CB 4.16Å; Y354-C363 HydrophobicContact CG-CB 4.45Å; Y354-C363 PolarHBondContact N-O 3.29Å; Y354-C363 PolarHBondContact O-N 3.13Å; E361-C363 PolarHBondContact O-N 2.85Å; C363-V376 HydrophobicContact CB-CG1 4.44Å; C363-Y378 HydrophobicContact CB-CE1 4.42Å; C363-Y378 VanDerWaalsContact SG-CE1 3.51Å
364V94.8Very high86.3Confident0 Ų062.7 Ų62.70%030%0.301CS..EExtended strand (participates in β ladder)trans-89.2112.9174.8-1740000108.7V351 Y352 A353 Y362 Y366 V376 K377 V379 L382 I385 L394V351-V364 HydrophobicContact CG1-CG1 3.78Å; Y352-V364 CarbonylContact O-C 3Å; Y352-V364 WeakPolarHBondContact O-CA 3.34Å; A353-V364 HydrophobicContact CB-CG2 4.22Å; Y362-V364 PolarHBondContact O-N 3.32Å; V364-Y366 HydrophobicContact CB-CE2 4.39Å; V364-Y366 HydrophobicContact CG1-CD2 4.29Å; V364-Y366 HydrophobicContact CG1-CE2 3.62Å; V364-V376 WeakPolarHBondContact O-CA 3.39Å; V364-K377 HydrophobicContact CB-CB 4.49Å; V364-K377 PolarHBondContact N-O 3.27Å; V364-K377 PolarHBondContact O-N 3.47Å; V364-V379 HydrophobicContact CG2-CB 4.24Å; V364-V379 HydrophobicContact CG2-CG2 3.84Å; V364-L382 HydrophobicContact CG2-CD2 3.91Å; V364-I385 HydrophobicContact CG1-CD1 3.98Å; V364-I385 HydrophobicContact CG2-CD1 4.48Å; V364-L394 HydrophobicContact CG1-CD2 4.15Å
365V95.4Very high86.5Confident2 Ų265.1 Ų65.11%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-99.4128.9-179.4-175.60000109.5V351 Y352 Y354 W367 K374 F375 V376V351-V365 VanDerWaalsContact CA-O 3.25Å; V351-V365 WeakPolarHBondContact CA-O 3.32Å; Y352-V365 HydrophobicContact CD1-CB 4.31Å; Y352-V365 HydrophobicContact CD2-CB 4.43Å; Y352-V365 HydrophobicContact CE1-CB 3.85Å; Y352-V365 HydrophobicContact CE1-CG1 3.91Å; Y352-V365 HydrophobicContact CE2-CB 3.97Å; Y352-V365 HydrophobicContact CE2-CG2 3.99Å; Y352-V365 PolarHBondContact N-O 3.23Å; Y352-V365 PolarHBondContact O-N 3.44Å; Y354-V365 HydrophobicContact CD1-CG2 4.3Å; Y354-V365 HydrophobicContact CE1-CG2 3.62Å; V365-W367 HydrophobicContact CG1-CB 4.4Å; V365-K374 HydrophobicContact CG1-CB 4.46Å; V365-F375 CarbonylContact C-O 3.6Å; V365-F375 WeakPolarHBondContact CA-O 3.18Å; V365-V376 HydrophobicContact CG2-CG2 4.26Å
366Y95.8Very high87.1Confident0 Ų066.2 Ų66.20%032%0.319CS..EExtended strand (participates in β ladder)trans-105101.2169.6-67.6-103.1000107.4T349 V351 V364 K374 F375 K377 C392 C410 N411 S412 G414T349-Y366 HydrophobicContact CG2-CD1 4.41Å; V351-Y366 HydrophobicContact CB-CD1 4.48Å; V351-Y366 HydrophobicContact CG1-CD1 4.13Å; V351-Y366 HydrophobicContact CG1-CD2 4.49Å; V351-Y366 HydrophobicContact CG1-CE1 3.88Å; V351-Y366 HydrophobicContact CG1-CE2 4.24Å; V351-Y366 HydrophobicContact CG1-CG 4.42Å; V351-Y366 HydrophobicContact CG2-CD1 3.55Å; V351-Y366 HydrophobicContact CG2-CE1 3.74Å; V351-Y366 HydrophobicContact CG2-CG 4.29Å; V364-Y366 HydrophobicContact CB-CE2 4.39Å; V364-Y366 HydrophobicContact CG1-CD2 4.29Å; V364-Y366 HydrophobicContact CG1-CE2 3.62Å; Y366-K374 CarbonylContact O-C 3.59Å; Y366-K374 WeakPolarHBondContact O-CA 3.48Å; Y366-F375 PolarHBondContact N-O 2.9Å; Y366-F375 PolarHBondContact O-N 2.9Å; Y366-K377 HydrophobicContact CE2-CB 4.31Å; Y366-C392 HydrophobicContact CE1-CB 4.18Å; Y366-C410 HydrophobicContact CE1-CB 4.41Å; Y366-N411 WeakPolarHBondContact CE1-O 3.39Å; Y366-S412 WeakPolarHBondContact CD1-O 3.32Å; Y366-G414 VanDerWaalsContact CE1-CA 3.48Å; Y366-G414 VanDerWaalsContact CE2-CA 3.48Å
367W95.2Very high87.7Confident1 Ų166.4 Ų66.40%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-103.9107.4-178.6173.638.9000110.9T349 V350 Y352 V365 T369 N372 I649 P656 N657 K658 L661T349-W367 CarbonylContact C-O 3.58Å; T349-W367 WeakPolarHBondContact CA-O 3.42Å; T349-W367 WeakPolarHBondContact CG2-O 3.35Å; V350-W367 HydrophobicContact CB-CE3 4.09Å; V350-W367 HydrophobicContact CG2-CE3 4.22Å; V350-W367 HydrophobicContact CG2-CZ3 4.48Å; V350-W367 PolarHBondContact N-O 3.06Å; V350-W367 PolarHBondContact O-N 2.83Å; Y352-W367 HydrophobicContact CE1-CB 4.38Å; V365-W367 HydrophobicContact CG1-CB 4.4Å; W367-T369 HydrophobicContact CD2-CG2 4.24Å; W367-T369 HydrophobicContact CE3-CG2 4.2Å; W367-T369 HydrophobicContact CZ3-CG2 4.37Å; W367-T369 PolarHBondContact O-N 3.21Å; W367-N372 PolarHBondContact NE1-OD1 3.02Å; W367-I649 HydrophobicContact CE3-CD1 4.41Å; W367-I649 HydrophobicContact CZ3-CD1 3.86Å; W367-P656 HydrophobicContact CB-CG 4.18Å; W367-P656 HydrophobicContact CD2-CB 3.55Å; W367-P656 HydrophobicContact CD2-CG 3.65Å; W367-P656 HydrophobicContact CE3-CB 3.61Å; W367-P656 HydrophobicContact CE3-CG 4.19Å; W367-P656 HydrophobicContact CG-CB 4.07Å; W367-P656 HydrophobicContact CG-CG 3.62Å; W367-P656 HydrophobicContact CH2-CB 4.13Å; W367-P656 HydrophobicContact CZ2-CB 4.07Å; W367-P656 HydrophobicContact CZ3-CB 3.91Å; W367-N657 WeakPolarHBondContact CH2-O 3.42Å; W367-K658 HydrophobicContact CZ2-CG 4.01Å; W367-L661 HydrophobicContact CH2-CD1 3.41Å; W367-L661 VanDerWaalsContact CH2-CD1 3.41Å; W367-L661 HydrophobicContact CH2-CG 3.86Å; W367-L661 HydrophobicContact CZ2-CD1 4.02Å; W367-L661 HydrophobicContact CZ3-CD1 3.84Å; W367-L661 HydrophobicContact CZ3-CD2 4.48Å; W367-L661 HydrophobicContact CZ3-CG 4.07Å
368D92.2Very high88.6Confident22 Ų2266.2 Ų66.212%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-72.4110.6173.91784.8000109.7K370 N371 N372 E373D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.05Å; D368-K370 WeakPolarHBondContact OD1-CB 3.48Å; D368-K370 PolarHBondContact OD1-N 3.38Å; D368-N371 WeakPolarHBondContact OD2-CB 3.45Å; D368-N371 PolarHBondContact OD2-ND2 3.44Å; D368-N372 WeakPolarHBondContact O-CA 3.37Å; D368-N372 PolarHBondContact O-N 3.46Å; D368-E373 PolarHBondContact N-O 2.92Å; D368-E373 PolarHBondContact O-N 3.46Å
369T89.2Confident89.3Confident18 Ų1858 Ų5811%0.1127%0.27CS..THydrogen-bonded Turntrans-76.2-15.5-176.267.10000112.9S348 V350 W367 K658 L661S348-T369 WeakPolarHBondContact O-CB 3.38Å; S348-T369 WeakPolarHBondContact O-CG2 3.46Å; S348-T369 PolarHBondContact O-N 3Å; S348-T369 PolarHBondContact O-OG1 2.99Å; V350-T369 HydrophobicContact CG2-CG2 3.73Å; W367-T369 HydrophobicContact CD2-CG2 4.24Å; W367-T369 HydrophobicContact CE3-CG2 4.2Å; W367-T369 HydrophobicContact CZ3-CG2 4.37Å; W367-T369 PolarHBondContact O-N 3.21Å; T369-K658 WeakPolarHBondContact O-CE 3.29Å; T369-K658 PolarHBondContact O-NZ 3.35Å; T369-L661 HydrophobicContact CG2-CD1 3.36Å; T369-L661 HydrophobicContact CG2-CD2 4.33Å; T369-L661 HydrophobicContact CG2-CG 4.47Å
370K87.8Confident90Very high142 Ų14258.9 Ų58.962%0.61728%0.276SS*.THydrogen-bonded Turntrans-77.9-60173.5-69.5-178.9174.8176.90110.5S348 D368 K658S348-K370 VanDerWaalsContact OG-CE 3.25Å; S348-K370 WeakPolarHBondContact OG-CE 3.38Å; D368-K370 VanDerWaalsContact C-N 3.28Å; D368-K370 PolarHBondContact O-N 3.05Å; D368-K370 WeakPolarHBondContact OD1-CB 3.48Å; D368-K370 PolarHBondContact OD1-N 3.38Å; K370-K658 PolarHBondContact O-NZ 2.92Å
371N86.8Confident90.6Very high109 Ų10953 Ų5358%0.58325%0.25SC*.THydrogen-bonded Turntrans-85.3-9.8-174.6-57.3-34.1000113.7D368 E373D368-N371 WeakPolarHBondContact OD2-CB 3.45Å; D368-N371 PolarHBondContact OD2-ND2 3.44Å; N371-E373 HydrophobicContact CB-CG 3.96Å; N371-E373 PolarHBondContact O-N 3.42Å
372N87.8Confident90.9Very high83 Ų8350.2 Ų50.244%0.44424%0.237SC..THydrogen-bonded Turntrans62.124.2-170.5-148.130.6000114.2W367 D368 K658W367-N372 PolarHBondContact NE1-OD1 3.02Å; D368-N372 WeakPolarHBondContact O-CA 3.37Å; D368-N372 PolarHBondContact O-N 3.46Å; N372-K658 HydrophobicContact CB-CD 4.49Å
373E89.1Confident91Very high105 Ų10551.1 Ų51.149%0.49124%0.243SC..EExtended strand (participates in β ladder)trans-86.9149.9177.3-67.8-177.1174.100110.1D368 N371 F375D368-E373 PolarHBondContact N-O 2.92Å; D368-E373 PolarHBondContact O-N 3.46Å; N371-E373 HydrophobicContact CB-CG 3.96Å; N371-E373 PolarHBondContact O-N 3.42Å; E373-F375 HydrophobicContact CB-CE2 4.18Å; E373-F375 HydrophobicContact CB-CZ 4.47Å
374K91.3Very high91Very high102 Ų10252.4 Ų52.444%0.44325%0.252SS..EExtended strand (participates in β ladder)trans-129.8137.4178.374-176.9-171.5-176.10110.6V365 Y366 E654V365-K374 HydrophobicContact CG1-CB 4.46Å; Y366-K374 CarbonylContact O-C 3.59Å; Y366-K374 WeakPolarHBondContact O-CA 3.48Å; K374-E654 PolarHBondContact NZ-O 3.3Å
375F92.9Very high91Very high76 Ų7652.9 Ų52.933%0.33325%0.254SS..EExtended strand (participates in β ladder)trans-121.5137.8171.8-55.4-85.5000108.4V365 Y366 E373 I413V365-F375 CarbonylContact C-O 3.6Å; V365-F375 WeakPolarHBondContact CA-O 3.18Å; Y366-F375 PolarHBondContact N-O 2.9Å; Y366-F375 PolarHBondContact O-N 2.9Å; E373-F375 HydrophobicContact CB-CE2 4.18Å; E373-F375 HydrophobicContact CB-CZ 4.47Å; F375-I413 WeakPolarHBondContact CB-O 3.34Å; F375-I413 HydrophobicContact CD2-CB 3.73Å; F375-I413 HydrophobicContact CD2-CG2 3.84Å; F375-I413 HydrophobicContact CE2-CB 3.9Å; F375-I413 HydrophobicContact CE2-CG2 3.58Å; F375-I413 HydrophobicContact CG-CB 4.17Å; F375-I413 HydrophobicContact CZ-CB 4.46Å; F375-I413 HydrophobicContact CZ-CG2 4.27Å
376V93.4Very high90.9Very high62 Ų6254 Ų5438%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-120.2130-177.9-175.40000108.8C363 V364 V365 Y378C363-V376 HydrophobicContact CB-CG1 4.44Å; V364-V376 WeakPolarHBondContact O-CA 3.39Å; V365-V376 HydrophobicContact CG2-CG2 4.26Å; V376-Y378 HydrophobicContact CG1-CE1 3.96Å
377K92.7Very high90.8Very high43 Ų4355.6 Ų55.619%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-120.4137.5174.8-171.9173.3-169.21610109.1V364 Y366 V379 L394 C410 G414V364-K377 HydrophobicContact CB-CB 4.49Å; V364-K377 PolarHBondContact N-O 3.27Å; V364-K377 PolarHBondContact O-N 3.47Å; Y366-K377 HydrophobicContact CE2-CB 4.31Å; K377-V379 HydrophobicContact CG-CG2 4.22Å; K377-L394 HydrophobicContact CD-CD1 4.16Å; K377-C410 PolarHBondContact NZ-SG 2.9Å; K377-C410 VanDerWaalsContact NZ-SG 3.38Å; K377-G414 PolarHBondContact NZ-O 3.28Å
378Y92.2Very high90.5Very high95 Ų9556.9 Ų56.937%0.37328%0.28SS..EExtended strand (participates in β ladder)trans-99.8130.8177.3-54.1-76.2000109.7R359 E361 Y362 C363 V376R359-Y378 PolarHBondContact NH1-OH 3.4Å; E361-Y378 WeakPolarHBondContact OE2-CB 3.35Å; Y362-Y378 WeakPolarHBondContact O-CA 3.39Å; C363-Y378 HydrophobicContact CB-CE1 4.42Å; C363-Y378 VanDerWaalsContact SG-CE1 3.51Å; V376-Y378 HydrophobicContact CG1-CE1 3.96Å
379V89.6Confident90.2Very high9 Ų958.1 Ų58.16%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-135.7124.8-176.3-175.30000109.3Y362 V364 K377 L382 L394Y362-V379 WeakPolarHBondContact CB-O 3.33Å; Y362-V379 PolarHBondContact N-O 3.38Å; Y362-V379 PolarHBondContact O-N 3.47Å; V364-V379 HydrophobicContact CG2-CB 4.24Å; V364-V379 HydrophobicContact CG2-CG2 3.84Å; K377-V379 HydrophobicContact CG-CG2 4.22Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; V379-L382 HydrophobicContact CG1-CD1 4.04Å; V379-L394 HydrophobicContact CG2-CD1 4Å
380K87.5Confident90Very high130 Ų13061.7 Ų61.757%0.56532%0.316SS*.THydrogen-bonded Turntrans-76.1143.4173.8-70-178.6-177.9-170.90110.2E361 L382 S396E361-K380 HydrophobicContact CB-CG 4.46Å; E361-K380 HydrophobicContact CG-CG 3.77Å; E361-K380 WeakPolarHBondContact OE1-CE 3.5Å; E361-K380 IonicContact OE1-NZ 3.71Å; K380-L382 PolarHBondContact O-N 3.05Å; K380-L382 VanDerWaalsContact O-N 3.11Å; K380-S396 WeakPolarHBondContact O-CB 3.5Å
381N84.8Confident90.3Very high27 Ų2756.7 Ų56.714%0.14429%0.294CS..THydrogen-bonded Turntrans46.547.9170.6-58.1-18.7000113.1I383 S396 K397N381-I383 PolarHBondContact O-N 3.31Å; N381-S396 VanDerWaalsContact O-CA 3.3Å; N381-S396 WeakPolarHBondContact O-CA 3.48Å; N381-S396 WeakPolarHBondContact O-CB 3.5Å; N381-K397 HydrophobicContact CB-CB 3.79Å; N381-K397 PolarHBondContact O-N 3.1Å
382L89.8Confident90.6Very high2 Ų251.5 Ų51.51%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-66.6122.5179.3178.975000109.4K342 A353 Y362 V364 V379 K380 I385 L394K342-L382 HydrophobicContact CD-CD2 4.17Å; K342-L382 HydrophobicContact CD-CG 4.4Å; K342-L382 PolarHBondContact NZ-O 3.41Å; A353-L382 HydrophobicContact CB-CD2 3.45Å; A353-L382 VanDerWaalsContact CB-CD2 3.45Å; Y362-L382 HydrophobicContact CD1-CD2 4.27Å; Y362-L382 HydrophobicContact CD2-CB 3.69Å; Y362-L382 HydrophobicContact CE2-CB 4.29Å; Y362-L382 HydrophobicContact CG-CB 3.81Å; Y362-L382 HydrophobicContact CG-CD2 4.16Å; V364-L382 HydrophobicContact CG2-CD2 3.91Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; V379-L382 HydrophobicContact CG1-CD1 4.04Å; K380-L382 PolarHBondContact O-N 3.05Å; K380-L382 VanDerWaalsContact O-N 3.11Å; L382-I385 HydrophobicContact CD1-CG1 4.27Å; L382-I385 HydrophobicContact CD2-CD1 3.88Å; L382-I385 HydrophobicContact CD2-CG1 4Å; L382-L394 HydrophobicContact CD1-CB 4.17Å
383I90.2Very high91Very high46 Ų4647.5 Ų47.524%0.23625%0.246CC..EExtended strand (participates in β ladder)trans-91.4-54.7-179.6-61.1170.6000109.6K342 N381 A395 Y405 P426K342-I383 VanDerWaalsContact CE-O 3.26Å; K342-I383 WeakPolarHBondContact CE-O 3.25Å; N381-I383 PolarHBondContact O-N 3.31Å; I383-A395 HydrophobicContact CB-CB 4.49Å; I383-A395 PolarHBondContact N-O 3.19Å; I383-Y405 HydrophobicContact CD1-CD1 3.46Å; I383-Y405 VanDerWaalsContact CD1-CD1 3.46Å; I383-Y405 HydrophobicContact CD1-CE1 3.65Å; I383-P426 HydrophobicContact CD1-CG 3.95Å
384S92.1Very high91.3Very high27 Ų2742.5 Ų42.519%0.18922%0.222CC..EExtended strand (participates in β ladder)trans-147153.5-173.6-175.30000112.9A395S384-A395 PolarHBondContact N-O 3.33Å; S384-A395 PolarHBondContact O-N 3.4Å
385I95.1Very high91.5Very high10 Ų1037.7 Ų37.75%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-121.1129.4170-65-179.4000106.7K342 V351 A353 V364 L382 L394K342-I385 HydrophobicContact CB-CD1 4.28Å; K342-I385 HydrophobicContact CB-CG1 4.36Å; V351-I385 HydrophobicContact CB-CG2 4.47Å; V351-I385 HydrophobicContact CG1-CD1 4.42Å; V351-I385 HydrophobicContact CG1-CG2 4.1Å; A353-I385 HydrophobicContact CB-CD1 3.74Å; V364-I385 HydrophobicContact CG1-CD1 3.98Å; V364-I385 HydrophobicContact CG2-CD1 4.48Å; L382-I385 HydrophobicContact CD1-CG1 4.27Å; L382-I385 HydrophobicContact CD2-CD1 3.88Å; L382-I385 HydrophobicContact CD2-CG1 4Å; I385-L394 HydrophobicContact CD1-CD2 4.25Å; I385-L394 HydrophobicContact CG1-CD2 3.8Å; I385-L394 HydrophobicContact CG2-CD2 4.39Å
386T94.1Very high91.5Very high25 Ų2534.4 Ų34.415%0.15319%0.188CC..EExtended strand (participates in β ladder)trans-137.7142.6174.2-52.10000110C392 I393 V429 M431T386-C392 CarbonylContact O-C 3.44Å; T386-C392 WeakPolarHBondContact O-CA 3.38Å; T386-I393 PolarHBondContact N-O 3.16Å; T386-I393 PolarHBondContact O-N 2.91Å; T386-V429 PolarHBondContact OG1-O 3.29Å; T386-M431 HydrophobicContact CG2-CB 4.49Å
387T92.5Very high91.3Very high33 Ų3334.6 Ų34.620%0.20218%0.184CC..EExtended strand (participates in β ladder)trans-125.9148.5-177.959.70000111.4Y345 C346 F391 C392Y345-T387 PolarHBondContact N-OG1 3.06Å; Y345-T387 WeakPolarHBondContact O-CB 3.2Å; Y345-T387 PolarHBondContact O-OG1 2.94Å; C346-T387 HydrophobicContact CB-CG2 4.17Å; T387-F391 WeakPolarHBondContact CA-O 3.33Å; T387-C392 HydrophobicContact CG2-CB 3.93Å
388S89.3Confident90.9Very high29 Ų2934.8 Ų34.820%0.20319%0.193CC..EExtended strand (participates in β ladder)trans-156.7122.1175.4-1650000109D390 F391 M431S388-D390 PolarHBondContact O-N 3.41Å; S388-D390 VanDerWaalsContact O-N 3.15Å; S388-F391 PolarHBondContact N-O 3.48Å; S388-F391 PolarHBondContact O-N 3.48Å; S388-F391 VanDerWaalsContact O-N 3.11Å; S388-M431 WeakPolarHBondContact CB-O 3.46Å; S388-M431 PolarHBondContact OG-O 3.21Å
389G85.1Confident90.2Very high47 Ų4733.5 Ų33.549%0.48519%0.193SC..THydrogen-bonded Turntrans57.2-115.3-174.800000112.5C346 C347C346-G389 VanDerWaalsContact CA-O 3.26Å; C346-G389 WeakPolarHBondContact CA-O 3.39Å; C346-G389 WeakPolarHBondContact CB-O 3.28Å; C347-G389 PolarHBondContact N-O 2.66Å
390D86.8Confident89.1Confident94 Ų9439.2 Ų39.250%0.50322%0.219SC..THydrogen-bonded Turntrans-97-1-176.3-59-26.7000113.5C347 S388C347-D390 HydrophobicContact CB-CB 4.36Å; S388-D390 PolarHBondContact O-N 3.41Å; S388-D390 VanDerWaalsContact O-N 3.15Å
391F92.3Very high88.3Confident36 Ų3642.2 Ų42.216%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-115.8153-171.4-53.5-63.8000112.3T387 S388 L409 C410 L417 M431 Y449 V451T387-F391 WeakPolarHBondContact CA-O 3.33Å; S388-F391 PolarHBondContact N-O 3.48Å; S388-F391 PolarHBondContact O-N 3.48Å; S388-F391 VanDerWaalsContact O-N 3.11Å; F391-L409 HydrophobicContact CB-CD1 3.95Å; F391-L409 HydrophobicContact CG-CD1 4.48Å; F391-C410 WeakPolarHBondContact CA-O 3.34Å; F391-L417 HydrophobicContact CD1-CD1 3.57Å; F391-L417 HydrophobicContact CE1-CD1 3.47Å; F391-L417 VanDerWaalsContact CE1-CD1 3.47Å; F391-M431 HydrophobicContact CB-CE 3.93Å; F391-M431 HydrophobicContact CB-SD 4.36Å; F391-M431 WeakPolarHBondContact O-CE 3.5Å; F391-Y449 AromaticContact CD2-CE2 3.73Å; F391-Y449 HydrophobicContact CD2-CE2 3.73Å; F391-Y449 HydrophobicContact CE2-CE2 4.02Å; F391-Y449 HydrophobicContact CG-CE2 4.3Å; F391-V451 HydrophobicContact CE1-CB 4.48Å; F391-V451 HydrophobicContact CE1-CG1 4.35Å; F391-V451 HydrophobicContact CE1-CG2 3.71Å; F391-V451 HydrophobicContact CE2-CG2 4.11Å; F391-V451 HydrophobicContact CZ-CB 4Å; F391-V451 HydrophobicContact CZ-CG1 4.18Å; F391-V451 HydrophobicContact CZ-CG2 3.44Å; F391-V451 VanDerWaalsContact CZ-CG2 3.44Å
392C94.1Very high87.7Confident0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-127.8134.7173178.90000108.8Y366 T386 T387 C410Y366-C392 HydrophobicContact CE1-CB 4.18Å; T386-C392 CarbonylContact O-C 3.44Å; T386-C392 WeakPolarHBondContact O-CA 3.38Å; T387-C392 HydrophobicContact CG2-CB 3.93Å; C392-C410 PolarHBondContact N-O 2.94Å; C392-C410 PolarHBondContact O-N 2.7Å
393I95.3Very high87.1Confident0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-106.7131170.7-169.276.4000109.5T386 L407 I408 L409 V429 M431 V436 W447T386-I393 PolarHBondContact N-O 3.16Å; T386-I393 PolarHBondContact O-N 2.91Å; I393-L407 HydrophobicContact CD1-CB 4.03Å; I393-L407 HydrophobicContact CG1-CB 4.41Å; I393-I408 VanDerWaalsContact CD1-C 3.49Å; I393-L409 HydrophobicContact CD1-CB 4.07Å; I393-L409 HydrophobicContact CD1-CD1 4.36Å; I393-V429 HydrophobicContact CG2-CG1 3.7Å; I393-M431 HydrophobicContact CB-SD 4.22Å; I393-M431 HydrophobicContact CG2-SD 4.33Å; I393-V436 HydrophobicContact CD1-CG1 4.4Å; I393-V436 HydrophobicContact CD1-CG2 4.24Å; I393-V436 HydrophobicContact CG1-CG1 4.13Å; I393-W447 HydrophobicContact CD1-CZ3 3.86Å
394L95.9Very high87Confident0 Ų051.8 Ų51.80%028%0.283CS..EExtended strand (participates in β ladder)trans-106.9121.7171.4-49.7177.9000108.1V364 K377 V379 L382 I385 L407 I408V364-L394 HydrophobicContact CG1-CD2 4.15Å; K377-L394 HydrophobicContact CD-CD1 4.16Å; V379-L394 HydrophobicContact CG2-CD1 4Å; L382-L394 HydrophobicContact CD1-CB 4.17Å; I385-L394 HydrophobicContact CD1-CD2 4.25Å; I385-L394 HydrophobicContact CG1-CD2 3.8Å; I385-L394 HydrophobicContact CG2-CD2 4.39Å; L394-L407 CarbonylContact O-C 3.54Å; L394-L407 WeakPolarHBondContact O-CA 3.07Å; L394-I408 HydrophobicContact CB-CB 4.36Å; L394-I408 PolarHBondContact N-O 2.94Å; L394-I408 PolarHBondContact O-N 3.34Å
395A95.1Very high87Confident1 Ų151.3 Ų51.31%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-101126.3171.500000109.1I383 S384 V406 L407 P426 V429I383-A395 HydrophobicContact CB-CB 4.49Å; I383-A395 PolarHBondContact N-O 3.19Å; S384-A395 PolarHBondContact N-O 3.33Å; S384-A395 PolarHBondContact O-N 3.4Å; A395-V406 WeakPolarHBondContact CA-O 3.41Å; A395-L407 HydrophobicContact CB-CD2 3.73Å; A395-P426 HydrophobicContact CB-CB 4.2Å; A395-P426 HydrophobicContact CB-CG 3.89Å; A395-V429 HydrophobicContact CB-CG2 4.14Å
396S92.9Very high87Confident6 Ų651.5 Ų51.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-142.4154.4179.353.70000112.1K380 N381 Y405 V406K380-S396 WeakPolarHBondContact O-CB 3.5Å; N381-S396 VanDerWaalsContact O-CA 3.3Å; N381-S396 WeakPolarHBondContact O-CA 3.48Å; N381-S396 WeakPolarHBondContact O-CB 3.5Å; S396-Y405 CarbonylContact O-C 3.59Å; S396-Y405 WeakPolarHBondContact O-CA 3.34Å; S396-V406 PolarHBondContact N-O 3.3Å; S396-V406 PolarHBondContact O-N 3.23Å; S396-V406 WeakPolarHBondContact OG-CG1 3.42Å
397K89.9Confident87Confident67 Ų6750.3 Ų50.329%0.29127%0.271SS..EExtended strand (participates in β ladder)trans-75.5130.5171.2-163.7178.2-178.8-178.20110N381 D399 Y405N381-K397 HydrophobicContact CB-CB 3.79Å; N381-K397 PolarHBondContact O-N 3.1Å; K397-D399 WeakPolarHBondContact CE-O 3.28Å; K397-D399 WeakPolarHBondContact CG-O 3.15Å; K397-Y405 HydrophobicContact CB-CD1 4.13Å; K397-Y405 HydrophobicContact CB-CE1 4.26Å; K397-Y405 HydrophobicContact CD-CE1 4.42Å; K397-Y405 HydrophobicContact CG-CD1 4.12Å; K397-Y405 HydrophobicContact CG-CE1 3.98Å
398A84.9Confident87.1Confident46 Ų4650.1 Ų50.138%0.3827%0.269SS..SBendtrans-81.1-41.9-173.500000113.1Q404 Y421A398-Q404 HydrophobicContact CB-CB 4.44Å; A398-Q404 WeakPolarHBondContact CB-O 3.44Å; A398-Q404 PolarHBondContact N-O 3.24Å; A398-Y421 HydrophobicContact CB-CD1 4.13Å; A398-Y421 HydrophobicContact CB-CE1 3.86Å
399D76.1Confident87.3Confident69 Ų6948.9 Ų48.937%0.36926%0.26SS..  trans-135.1148.5176.5-168.5-6.7000109.7K397 K401 Q402K397-D399 WeakPolarHBondContact CE-O 3.28Å; K397-D399 WeakPolarHBondContact CG-O 3.15Å; D399-K401 PolarHBondContact OD1-N 3.41Å; D399-K401 VanDerWaalsContact OD1-N 3.17Å; D399-Q402 HydrophobicContact CB-CB 4.38Å
400E68.1Low87.7Confident129 Ų12946.7 Ų46.760%0.60324%0.237SC*.SBendtrans-74.9-31.1174.4-71.7-178.5179.500111.9
401K69.5Low87.9Confident192 Ų19244 Ų4484%0.83522%0.223SC*.SBendtrans-88.5-23.3-174-65.2-179.2-179.4178.40114D399D399-K401 PolarHBondContact OD1-N 3.41Å; D399-K401 VanDerWaalsContact OD1-N 3.17Å
402Q73.2Confident87.7Confident116 Ų11643.6 Ų43.654%0.54222%0.224SC..SBendtrans-117.7139.7178.5-64.8-173.3-5.600110D399 Q404D399-Q402 HydrophobicContact CB-CB 4.38Å; Q402-Q404 PolarHBondContact O-N 3.41Å
403P75.7Confident87.6Confident97 Ų9746.9 Ų46.963%0.6324%0.241SC*.  trans-78.352.5-179.635.2-36.8000111.4
404Q88.6Confident87.2Confident63 Ų6347.3 Ų47.329%0.29425%0.245SC..  trans-107136.9177.2-167.9171.860.900110.1A398 Q402 Y421A398-Q404 HydrophobicContact CB-CB 4.44Å; A398-Q404 WeakPolarHBondContact CB-O 3.44Å; A398-Q404 PolarHBondContact N-O 3.24Å; Q402-Q404 PolarHBondContact O-N 3.41Å; Q404-Y421 HydrophobicContact CG-CD1 4.12Å
405Y92.3Very high87Confident18 Ų1850.5 Ų50.57%0.07127%0.265CS..EExtended strand (participates in β ladder)trans-121.1155.2-177.2-56.2-92000110I383 S396 K397 Y421 I422 I424 E425 P426I383-Y405 HydrophobicContact CD1-CD1 3.46Å; I383-Y405 VanDerWaalsContact CD1-CD1 3.46Å; I383-Y405 HydrophobicContact CD1-CE1 3.65Å; S396-Y405 CarbonylContact O-C 3.59Å; S396-Y405 WeakPolarHBondContact O-CA 3.34Å; K397-Y405 HydrophobicContact CB-CD1 4.13Å; K397-Y405 HydrophobicContact CB-CE1 4.26Å; K397-Y405 HydrophobicContact CD-CE1 4.42Å; K397-Y405 HydrophobicContact CG-CD1 4.12Å; K397-Y405 HydrophobicContact CG-CE1 3.98Å; Y405-Y421 CarbonylContact O-C 3.6Å; Y405-Y421 VanDerWaalsContact O-CA 3.25Å; Y405-Y421 WeakPolarHBondContact O-CA 3.3Å; Y405-I422 PolarHBondContact N-O 3.46Å; Y405-I422 PolarHBondContact O-N 2.79Å; Y405-I424 WeakPolarHBondContact CD2-O 3.44Å; Y405-E425 HydrophobicContact CE1-CB 4.21Å; Y405-E425 HydrophobicContact CE1-CG 3.78Å; Y405-E425 HydrophobicContact CE2-CB 3.82Å; Y405-E425 HydrophobicContact CE2-CG 4.31Å; Y405-E425 WeakPolarHBondContact OH-CB 3.27Å; Y405-E425 WeakPolarHBondContact OH-CG 3.49Å; Y405-E425 PolarHBondContact OH-OE1 2.7Å; Y405-P426 HydrophobicContact CD1-CG 4.3Å; Y405-P426 HydrophobicContact CG-CG 4.4Å
406V94.4Very high86.8Confident14 Ų1454.1 Ų54.19%0.08529%0.288CS..EExtended strand (participates in β ladder)trans-128.4134.5179.165.30000110.8A395 S396 I408 K420 Y421A395-V406 WeakPolarHBondContact CA-O 3.41Å; S396-V406 PolarHBondContact N-O 3.3Å; S396-V406 PolarHBondContact O-N 3.23Å; S396-V406 WeakPolarHBondContact OG-CG1 3.42Å; V406-I408 HydrophobicContact CG1-CD1 4.37Å; V406-I408 HydrophobicContact CG1-CG1 4.36Å; V406-I408 HydrophobicContact CG2-CG1 3.96Å; V406-K420 CarbonylContact C-O 3.49Å; V406-K420 WeakPolarHBondContact CA-O 3.44Å; V406-Y421 HydrophobicContact CB-CD1 3.94Å; V406-Y421 HydrophobicContact CB-CE1 3.9Å; V406-Y421 HydrophobicContact CG2-CD1 4.18Å; V406-Y421 HydrophobicContact CG2-CE1 4.01Å
407L94.5Very high86.7Confident0 Ų057.5 Ų57.50%031%0.306CS..EExtended strand (participates in β ladder)trans-104.9119172.2-56.3-176.9000108.1I393 L394 A395 S419 K420 I422 P426 V436 T438 Y445 W447I393-L407 HydrophobicContact CD1-CB 4.03Å; I393-L407 HydrophobicContact CG1-CB 4.41Å; L394-L407 CarbonylContact O-C 3.54Å; L394-L407 WeakPolarHBondContact O-CA 3.07Å; A395-L407 HydrophobicContact CB-CD2 3.73Å; L407-S419 CarbonylContact O-C 3.6Å; L407-S419 WeakPolarHBondContact O-CA 3.37Å; L407-K420 PolarHBondContact N-O 3.14Å; L407-K420 PolarHBondContact O-N 3.3Å; L407-I422 HydrophobicContact CD1-CD1 4.01Å; L407-I422 HydrophobicContact CD1-CG2 4.26Å; L407-I422 HydrophobicContact CD2-CD1 4.03Å; L407-I422 HydrophobicContact CG-CD1 3.92Å; L407-I422 HydrophobicContact CG-CG1 4.5Å; L407-P426 HydrophobicContact CD2-CB 4.24Å; L407-P426 HydrophobicContact CD2-CG 4.44Å; L407-V436 HydrophobicContact CD1-CG1 4.22Å; L407-T438 HydrophobicContact CD1-CG2 3.55Å; L407-T438 HydrophobicContact CD2-CG2 3.85Å; L407-T438 HydrophobicContact CG-CG2 4.35Å; L407-Y445 HydrophobicContact CD1-CD1 4.34Å; L407-Y445 HydrophobicContact CD1-CE1 4.16Å; L407-W447 HydrophobicContact CB-CZ3 4.27Å; L407-W447 HydrophobicContact CD1-CE3 4.41Å
408I94.5Very high86.6Confident29 Ų2957.8 Ų57.815%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-114.4108.1-177.4-51.1173.1000108.8I393 L394 V406 P416I393-I408 VanDerWaalsContact CD1-C 3.49Å; L394-I408 HydrophobicContact CB-CB 4.36Å; L394-I408 PolarHBondContact N-O 2.94Å; L394-I408 PolarHBondContact O-N 3.34Å; V406-I408 HydrophobicContact CG1-CD1 4.37Å; V406-I408 HydrophobicContact CG1-CG1 4.36Å; V406-I408 HydrophobicContact CG2-CG1 3.96Å; I408-P416 HydrophobicContact CG2-CB 3.95Å
409L93.8Very high86.9Confident3 Ų358.4 Ų58.42%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-79.3121.9175.5-175.770.7000109.1F391 I393 P416 L417 D418 M431 W447 Y449F391-L409 HydrophobicContact CB-CD1 3.95Å; F391-L409 HydrophobicContact CG-CD1 4.48Å; I393-L409 HydrophobicContact CD1-CB 4.07Å; I393-L409 HydrophobicContact CD1-CD1 4.36Å; L409-P416 CarbonylContact O-C 3.53Å; L409-P416 WeakPolarHBondContact O-CA 3.49Å; L409-L417 HydrophobicContact CD2-CB 4.37Å; L409-L417 HydrophobicContact CG-CB 4.49Å; L409-L417 PolarHBondContact O-N 3.27Å; L409-D418 HydrophobicContact CB-CB 4.49Å; L409-D418 WeakPolarHBondContact CB-O 3.49Å; L409-D418 HydrophobicContact CD2-CB 4.5Å; L409-D418 PolarHBondContact N-O 3.02Å; L409-D418 PolarHBondContact O-N 3.39Å; L409-M431 HydrophobicContact CD1-SD 3.94Å; L409-W447 HydrophobicContact CB-CH2 3.89Å; L409-W447 HydrophobicContact CB-CZ3 4.31Å; L409-Y449 HydrophobicContact CD1-CE2 4.44Å; L409-Y449 HydrophobicContact CD2-CD2 3.52Å; L409-Y449 HydrophobicContact CD2-CE2 4.11Å; L409-Y449 HydrophobicContact CD2-CG 3.85Å
410C93.6Very high87.6Confident0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-121.2152.8-178.3-61.30000111.1Y366 K377 F391 C392 T415Y366-C410 HydrophobicContact CE1-CB 4.41Å; K377-C410 PolarHBondContact NZ-SG 2.9Å; K377-C410 VanDerWaalsContact NZ-SG 3.38Å; F391-C410 WeakPolarHBondContact CA-O 3.34Å; C392-C410 PolarHBondContact N-O 2.94Å; C392-C410 PolarHBondContact O-N 2.7Å; C410-T415 VanDerWaalsContact CA-O 3.28Å; C410-T415 WeakPolarHBondContact CA-O 3.43Å
411N91.5Very high88.7Confident38 Ų3858.5 Ų58.520%0.20330%0.304CS..EExtended strand (participates in β ladder)trans-79.5-179.4166.169.13.9000111.4Y366 I413 G414 T415 L417Y366-N411 WeakPolarHBondContact CE1-O 3.39Å; N411-I413 WeakPolarHBondContact ND2-CG1 3.48Å; N411-I413 PolarHBondContact O-N 3.2Å; N411-I413 VanDerWaalsContact O-N 3.07Å; N411-I413 WeakPolarHBondContact OD1-CG1 3.36Å; N411-I413 PolarHBondContact OD1-N 3.48Å; N411-I413 VanDerWaalsContact OD1-N 3.13Å; N411-G414 PolarHBondContact O-N 3.24Å; N411-G414 PolarHBondContact OD1-N 3.11Å; N411-G414 VanDerWaalsContact OD1-N 3.12Å; N411-T415 PolarHBondContact N-O 3.22Å; N411-T415 WeakPolarHBondContact ND2-CB 3.24Å; N411-T415 WeakPolarHBondContact OD1-CB 3.38Å; N411-T415 PolarHBondContact OD1-N 2.96Å; N411-T415 PolarHBondContact OD1-O 3.08Å; N411-L417 HydrophobicContact CB-CD1 4.22Å; N411-L417 HydrophobicContact CB-CD2 4.45Å; N411-L417 HydrophobicContact CB-CG 4.39Å
412S88.7Confident89.7Confident28 Ų2849.5 Ų49.520%0.19627%0.265CS..THydrogen-bonded Turntrans-62-11.517956.80000115.7T349 Y366T349-S412 WeakPolarHBondContact CG2-O 3.33Å; T349-S412 PolarHBondContact OG1-O 3.16Å; Y366-S412 WeakPolarHBondContact CD1-O 3.32Å
413I90.4Very high90.3Very high68 Ų6848 Ų4835%0.34926%0.261SS..THydrogen-bonded Turntrans-110.39.717662.2169.1000112.6F375 N411F375-I413 WeakPolarHBondContact CB-O 3.34Å; F375-I413 HydrophobicContact CD2-CB 3.73Å; F375-I413 HydrophobicContact CD2-CG2 3.84Å; F375-I413 HydrophobicContact CE2-CB 3.9Å; F375-I413 HydrophobicContact CE2-CG2 3.58Å; F375-I413 HydrophobicContact CG-CB 4.17Å; F375-I413 HydrophobicContact CZ-CB 4.46Å; F375-I413 HydrophobicContact CZ-CG2 4.27Å; N411-I413 WeakPolarHBondContact ND2-CG1 3.48Å; N411-I413 PolarHBondContact O-N 3.2Å; N411-I413 VanDerWaalsContact O-N 3.07Å; N411-I413 WeakPolarHBondContact OD1-CG1 3.36Å; N411-I413 PolarHBondContact OD1-N 3.48Å; N411-I413 VanDerWaalsContact OD1-N 3.13Å
414G88.5Confident90.9Very high9 Ų943.5 Ų43.59%0.09323%0.232CC..SBendtrans82.27.3176.300000116Y366 K377 N411Y366-G414 VanDerWaalsContact CE1-CA 3.48Å; Y366-G414 VanDerWaalsContact CE2-CA 3.48Å; K377-G414 PolarHBondContact NZ-O 3.28Å; N411-G414 PolarHBondContact O-N 3.24Å; N411-G414 PolarHBondContact OD1-N 3.11Å; N411-G414 VanDerWaalsContact OD1-N 3.12Å
415T91.6Very high90.9Very high67 Ų6744.5 Ų44.541%0.41124%0.236SC..  trans-71.9124.8173.8-52.20000109.5C410 N411 L417C410-T415 VanDerWaalsContact CA-O 3.28Å; C410-T415 WeakPolarHBondContact CA-O 3.43Å; N411-T415 PolarHBondContact N-O 3.22Å; N411-T415 WeakPolarHBondContact ND2-CB 3.24Å; N411-T415 WeakPolarHBondContact OD1-CB 3.38Å; N411-T415 PolarHBondContact OD1-N 2.96Å; N411-T415 PolarHBondContact OD1-O 3.08Å; T415-L417 PolarHBondContact O-N 3.17Å
416P90.6Very high90.9Very high77 Ų7743.7 Ų43.750%0.523%0.233SC..EExtended strand (participates in β ladder)trans-68.2128.3177.629.3-32.1000110.3I408 L409I408-P416 HydrophobicContact CG2-CB 3.95Å; L409-P416 CarbonylContact O-C 3.53Å; L409-P416 WeakPolarHBondContact O-CA 3.49Å
417L89.6Confident90.7Very high78 Ų7846 Ų4641%0.40825%0.245SC..EExtended strand (participates in β ladder)trans-95.9-41.2175.8-61.7178.4000111.5F391 L409 N411 T415 V451F391-L417 HydrophobicContact CD1-CD1 3.57Å; F391-L417 HydrophobicContact CE1-CD1 3.47Å; F391-L417 VanDerWaalsContact CE1-CD1 3.47Å; L409-L417 HydrophobicContact CD2-CB 4.37Å; L409-L417 HydrophobicContact CG-CB 4.49Å; L409-L417 PolarHBondContact O-N 3.27Å; N411-L417 HydrophobicContact CB-CD1 4.22Å; N411-L417 HydrophobicContact CB-CD2 4.45Å; N411-L417 HydrophobicContact CB-CG 4.39Å; T415-L417 PolarHBondContact O-N 3.17Å; L417-V451 HydrophobicContact CD1-CG2 4.33Å
418D89.6Confident90.7Very high72 Ų7248.5 Ų48.539%0.38526%0.256SS..EExtended strand (participates in β ladder)trans-154.8159.3177.8-158.2-6.8000109.5L409 W447L409-D418 HydrophobicContact CB-CB 4.49Å; L409-D418 WeakPolarHBondContact CB-O 3.49Å; L409-D418 HydrophobicContact CD2-CB 4.5Å; L409-D418 PolarHBondContact N-O 3.02Å; L409-D418 PolarHBondContact O-N 3.39Å; D418-W447 HydrophobicContact CB-CH2 4.01Å; D418-W447 HydrophobicContact CB-CZ2 3.87Å; D418-W447 WeakPolarHBondContact OD2-CZ2 3.29Å
419S90.9Very high90.7Very high59 Ų5948.1 Ų48.141%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-146.3142.6178.860.50000112L407L407-S419 CarbonylContact O-C 3.6Å; L407-S419 WeakPolarHBondContact O-CA 3.37Å
420K90.4Very high90.7Very high59 Ų5948.8 Ų48.826%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-133.8131.7-178.9-71.6-68174.7169.80112.3V406 L407 W447 E472V406-K420 CarbonylContact C-O 3.49Å; V406-K420 WeakPolarHBondContact CA-O 3.44Å; L407-K420 PolarHBondContact N-O 3.14Å; L407-K420 PolarHBondContact O-N 3.3Å; K420-W447 HydrophobicContact CB-CD2 4.49Å; K420-W447 HydrophobicContact CB-CE3 4.4Å; K420-W447 HydrophobicContact CB-CZ3 4.45Å; K420-W447 HydrophobicContact CG-CD2 3.78Å; K420-W447 HydrophobicContact CG-CE3 4.1Å; K420-W447 HydrophobicContact CG-CG 4.34Å; K420-W447 HydrophobicContact CG-CH2 3.97Å; K420-W447 HydrophobicContact CG-CZ2 3.65Å; K420-W447 HydrophobicContact CG-CZ3 4.18Å; K420-E472 WeakPolarHBondContact CD-OE1 3.48Å; K420-E472 WeakPolarHBondContact CE-OE1 3.35Å; K420-E472 IonicContact NZ-OE1 3.16Å; K420-E472 PolarHBondContact NZ-OE1 3.36Å
421Y90.6Very high90.6Very high142 Ų14249.2 Ų49.256%0.55726%0.261SS*.EExtended strand (participates in β ladder)trans-87.2136.2169.1-67.6-87.1000109.2A398 Q404 Y405 V406A398-Y421 HydrophobicContact CB-CD1 4.13Å; A398-Y421 HydrophobicContact CB-CE1 3.86Å; Q404-Y421 HydrophobicContact CG-CD1 4.12Å; Y405-Y421 CarbonylContact O-C 3.6Å; Y405-Y421 VanDerWaalsContact O-CA 3.25Å; Y405-Y421 WeakPolarHBondContact O-CA 3.3Å; V406-Y421 HydrophobicContact CB-CD1 3.94Å; V406-Y421 HydrophobicContact CB-CE1 3.9Å; V406-Y421 HydrophobicContact CG2-CD1 4.18Å; V406-Y421 HydrophobicContact CG2-CE1 4.01Å
422I90.1Very high90.5Very high2 Ų247.6 Ų47.61%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-133.8150178.865.6176.6000109.1Y405 L407 I424 P426 Y445Y405-I422 PolarHBondContact N-O 3.46Å; Y405-I422 PolarHBondContact O-N 2.79Å; L407-I422 HydrophobicContact CD1-CD1 4.01Å; L407-I422 HydrophobicContact CD1-CG2 4.26Å; L407-I422 HydrophobicContact CD2-CD1 4.03Å; L407-I422 HydrophobicContact CG-CD1 3.92Å; L407-I422 HydrophobicContact CG-CG1 4.5Å; I422-I424 HydrophobicContact CD1-CG1 4.03Å; I422-I424 WeakPolarHBondContact CD1-O 3.43Å; I422-I424 WeakPolarHBondContact CG1-O 3.18Å; I422-P426 HydrophobicContact CD1-CB 4.08Å; I422-P426 HydrophobicContact CD1-CG 4.3Å; I422-Y445 HydrophobicContact CG2-CD1 3.92Å; I422-Y445 HydrophobicContact CG2-CE1 3.57Å
423D87Confident90.4Very high85 Ų8555 Ų5546%0.45528%0.276SS..SBendtrans-99.4-0.1-179.9-56.6-38.8000112.5F495D423-F495 HydrophobicContact CB-CZ 4.02Å; D423-F495 WeakPolarHBondContact O-CE1 3.47Å
424I87.4Confident90.2Very high3 Ų354.3 Ų54.32%0.01528%0.275CS..SBendtrans-96.9141.917269.6165.3000110.4Y405 I422 P426 Y445 F474 F495Y405-I424 WeakPolarHBondContact CD2-O 3.44Å; I422-I424 HydrophobicContact CD1-CG1 4.03Å; I422-I424 WeakPolarHBondContact CD1-O 3.43Å; I422-I424 WeakPolarHBondContact CG1-O 3.18Å; I424-P426 VanDerWaalsContact O-CD 3.29Å; I424-P426 WeakPolarHBondContact O-CD 3.12Å; I424-Y445 VanDerWaalsContact CD1-CB 3.47Å; I424-F474 HydrophobicContact CG2-CE1 4.29Å; I424-F495 HydrophobicContact CG2-CE1 3.93Å; I424-F495 HydrophobicContact CG2-CZ 4.12Å
425E89.8Confident90.2Very high84 Ų8454.4 Ų54.439%0.39327%0.273SS..  trans-71.1118.2175.3-174.2163.4-12700110.7Y405 L427 S440Y405-E425 HydrophobicContact CE1-CB 4.21Å; Y405-E425 HydrophobicContact CE1-CG 3.78Å; Y405-E425 HydrophobicContact CE2-CB 3.82Å; Y405-E425 HydrophobicContact CE2-CG 4.31Å; Y405-E425 WeakPolarHBondContact OH-CB 3.27Å; Y405-E425 WeakPolarHBondContact OH-CG 3.49Å; Y405-E425 PolarHBondContact OH-OE1 2.7Å; E425-L427 HydrophobicContact CG-CD2 3.81Å; E425-L427 HydrophobicContact CG-CG 3.96Å; E425-L427 PolarHBondContact O-N 3.45Å; E425-S440 VanDerWaalsContact O-CA 3.28Å; E425-S440 WeakPolarHBondContact O-CA 3.35Å; E425-S440 WeakPolarHBondContact O-CB 3.29Å
426P92.3Very high90.3Very high0 Ų051.2 Ų51.20%025%0.254CS..  trans-82.866.1-17634.3-35.2000111.3I383 A395 Y405 L407 I422 I424 F428 V429 T438I383-P426 HydrophobicContact CD1-CG 3.95Å; A395-P426 HydrophobicContact CB-CB 4.2Å; A395-P426 HydrophobicContact CB-CG 3.89Å; Y405-P426 HydrophobicContact CD1-CG 4.3Å; Y405-P426 HydrophobicContact CG-CG 4.4Å; L407-P426 HydrophobicContact CD2-CB 4.24Å; L407-P426 HydrophobicContact CD2-CG 4.44Å; I422-P426 HydrophobicContact CD1-CB 4.08Å; I422-P426 HydrophobicContact CD1-CG 4.3Å; I424-P426 VanDerWaalsContact O-CD 3.29Å; I424-P426 WeakPolarHBondContact O-CD 3.12Å; P426-F428 VanDerWaalsContact C-N 3.31Å; P426-F428 PolarHBondContact O-N 2.92Å; P426-V429 HydrophobicContact CB-CG2 4.02Å; P426-T438 HydrophobicContact CB-CG2 4.26Å
427L89.8Confident90.5Very high63 Ų6347.6 Ų47.633%0.3323%0.23SC..SBendtrans-62.8-38.7178.5-65.9177.6000112E425 A439 K441E425-L427 HydrophobicContact CG-CD2 3.81Å; E425-L427 HydrophobicContact CG-CG 3.96Å; E425-L427 PolarHBondContact O-N 3.45Å; L427-A439 PolarHBondContact N-O 2.97Å; L427-A439 VanDerWaalsContact N-O 3.08Å; L427-K441 HydrophobicContact CD1-CD 4.48Å; L427-K441 HydrophobicContact CD1-CG 3.78Å
428F93.3Very high90.7Very high53 Ų5343.9 Ų43.923%0.23221%0.211CC..EExtended strand (participates in β ladder)trans-121.1130.3177.5-43.5-73.4000109.6P426 T438 A439 I502 C503 I505P426-F428 VanDerWaalsContact C-N 3.31Å; P426-F428 PolarHBondContact O-N 2.92Å; F428-T438 CarbonylContact O-C 3.02Å; F428-T438 VanDerWaalsContact O-CA 3.29Å; F428-T438 WeakPolarHBondContact O-CA 3.28Å; F428-A439 HydrophobicContact CB-CB 4.33Å; F428-A439 HydrophobicContact CD2-CB 4.22Å; F428-A439 PolarHBondContact N-O 3.03Å; F428-A439 PolarHBondContact O-N 3.05Å; F428-I502 HydrophobicContact CD2-CG2 3.88Å; F428-I502 HydrophobicContact CE2-CB 4.39Å; F428-I502 HydrophobicContact CE2-CG2 4.02Å; F428-I502 VanDerWaalsContact CE2-O 3.27Å; F428-I502 WeakPolarHBondContact CE2-O 3.33Å; F428-C503 WeakPolarHBondContact CE1-O 3.49Å; F428-C503 VanDerWaalsContact CZ-O 3.32Å; F428-C503 WeakPolarHBondContact CZ-O 3.48Å; F428-I505 HydrophobicContact CB-CD1 3.94Å; F428-I505 HydrophobicContact CB-CG1 3.84Å; F428-I505 WeakPolarHBondContact O-CD1 3.4Å
429V94.8Very high90.9Very high20 Ų2040.4 Ų40.412%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-130.9131.7-177.9-178.60000108.9T386 I393 A395 P426 I437 T438T386-V429 PolarHBondContact OG1-O 3.29Å; I393-V429 HydrophobicContact CG2-CG1 3.7Å; A395-V429 HydrophobicContact CB-CG2 4.14Å; P426-V429 HydrophobicContact CB-CG2 4.02Å; V429-I437 WeakPolarHBondContact CA-O 3.39Å; V429-T438 HydrophobicContact CB-CG2 4.43Å; V429-T438 HydrophobicContact CG1-CG2 4.08Å; V429-T438 HydrophobicContact CG2-CG2 3.92Å
430T94.1Very high91Very high18 Ų1838 Ų3811%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-138.2155.5171.5-166.80000110.1I437 I505 A507T430-I437 HydrophobicContact CG2-CB 3.82Å; T430-I437 HydrophobicContact CG2-CD1 4.01Å; T430-I437 HydrophobicContact CG2-CG1 4.45Å; T430-I437 HydrophobicContact CG2-CG2 4.48Å; T430-I437 PolarHBondContact N-O 2.95Å; T430-I437 PolarHBondContact O-N 3.31Å; T430-I437 VanDerWaalsContact O-O 3.06Å; T430-I505 HydrophobicContact CG2-CD1 3.84Å; T430-I505 HydrophobicContact CG2-CG1 3.9Å; T430-A507 HydrophobicContact CG2-CB 3.89Å
431M92.1Very high91Very high8 Ų840.1 Ų40.14%0.03918%0.184CC..EExtended strand (participates in β ladder)trans-141.8134.8-174.6-177168.364.300111.1T386 S388 F391 I393 L409 H435 V436 Y449T386-M431 HydrophobicContact CG2-CB 4.49Å; S388-M431 WeakPolarHBondContact CB-O 3.46Å; S388-M431 PolarHBondContact OG-O 3.21Å; F391-M431 HydrophobicContact CB-CE 3.93Å; F391-M431 HydrophobicContact CB-SD 4.36Å; F391-M431 WeakPolarHBondContact O-CE 3.5Å; I393-M431 HydrophobicContact CB-SD 4.22Å; I393-M431 HydrophobicContact CG2-SD 4.33Å; L409-M431 HydrophobicContact CD1-SD 3.94Å; M431-H435 WeakPolarHBondContact CA-O 3.28Å; M431-V436 HydrophobicContact CG-CG2 4.05Å; M431-V436 HydrophobicContact SD-CG2 3.87Å; M431-Y449 HydrophobicContact CG-CE1 4.06Å; M431-Y449 HydrophobicContact SD-CE1 4.15Å
432T90.3Very high90.9Very high4 Ų436.2 Ų36.23%0.02517%0.171CC..  trans-105-177.3170.872.20000109.4T434 H435 I437 Y449 A507 T508 D509T432-T434 PolarHBondContact O-N 3.38Å; T432-T434 VanDerWaalsContact O-N 3.12Å; T432-T434 PolarHBondContact OG1-N 3.12Å; T432-H435 PolarHBondContact N-O 3.27Å; T432-H435 PolarHBondContact OG1-N 2.86Å; T432-H435 PolarHBondContact OG1-O 3.44Å; T432-I437 HydrophobicContact CG2-CD1 4.12Å; T432-Y449 PolarHBondContact O-OH 3.05Å; T432-A507 HydrophobicContact CG2-CB 3.76Å; T432-T508 WeakPolarHBondContact CG2-O 3.38Å; T432-D509 WeakPolarHBondContact CB-OD1 3.47Å
433R85.3Confident91Very high183 Ų18336.1 Ų36.169%0.69117%0.171SC*.SBendtrans-65.4-15.2178.2-65.3-178.5178.9136.1-8.6113.8Y449 D509R433-Y449 VanDerWaalsContact C-OH 3.31Å; R433-Y449 PolarHBondContact O-OH 3.24Å; R433-D509 IonicContact CZ-OD2 3.7Å; R433-D509 PolarHBondContact N-OD1 3.1Å; R433-D509 IonicContact NH1-OD2 3.61Å; R433-D509 PolarHBondContact NH1-OD2 3.13Å; R433-D509 VanDerWaalsContact NH1-OD2 3.15Å
434T85.7Confident91.2Very high55 Ų5532.1 Ų32.134%0.33715%0.149SC..SBendtrans-133.5-19.9-170.254.40000114.1T432 Q448 Y449T432-T434 PolarHBondContact O-N 3.38Å; T432-T434 VanDerWaalsContact O-N 3.12Å; T432-T434 PolarHBondContact OG1-N 3.12Å; T434-Q448 WeakPolarHBondContact O-CA 3.21Å; T434-Y449 WeakPolarHBondContact O-CD1 3.46Å; T434-Y449 PolarHBondContact O-N 3.31Å
435H90.1Very high91.4Very high11 Ų1132 Ų325%0.05115%0.149CC..EExtended strand (participates in β ladder)trans-130.3142.7-176.6-60.578.5000111.3M431 T432 I437 W447M431-H435 WeakPolarHBondContact CA-O 3.28Å; T432-H435 PolarHBondContact N-O 3.27Å; T432-H435 PolarHBondContact OG1-N 2.86Å; T432-H435 PolarHBondContact OG1-O 3.44Å; H435-I437 HydrophobicContact CB-CD1 4.21Å; H435-W447 CarbonylContact C-O 3.56Å; H435-W447 VanDerWaalsContact CA-O 3.27Å; H435-W447 WeakPolarHBondContact CA-O 3.37Å
436V93.3Very high91.4Very high0 Ų028.4 Ų28.40%013%0.132CC..EExtended strand (participates in β ladder)trans-102.4129.6163175.30000106.8I393 L407 M431 T438 W447 Y449I393-V436 HydrophobicContact CD1-CG1 4.4Å; I393-V436 HydrophobicContact CD1-CG2 4.24Å; I393-V436 HydrophobicContact CG1-CG1 4.13Å; L407-V436 HydrophobicContact CD1-CG1 4.22Å; M431-V436 HydrophobicContact CG-CG2 4.05Å; M431-V436 HydrophobicContact SD-CG2 3.87Å; V436-T438 HydrophobicContact CG1-CG2 4.11Å; V436-W447 HydrophobicContact CB-CB 4.43Å; V436-W447 HydrophobicContact CB-CE3 3.85Å; V436-W447 HydrophobicContact CG1-CE3 4.25Å; V436-W447 HydrophobicContact CG2-CE3 3.92Å; V436-W447 HydrophobicContact CG2-CZ3 4.23Å; V436-W447 PolarHBondContact N-O 3.48Å; V436-W447 PolarHBondContact O-N 3.44Å; V436-Y449 HydrophobicContact CG2-CD1 3.79Å; V436-Y449 HydrophobicContact CG2-CE1 3.88Å
437I94.3Very high91.4Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-118.7126.8176.7-52.999.2000108.2V429 T430 T432 H435 F444 Y445 L446 I505 A507 L512V429-I437 WeakPolarHBondContact CA-O 3.39Å; T430-I437 HydrophobicContact CG2-CB 3.82Å; T430-I437 HydrophobicContact CG2-CD1 4.01Å; T430-I437 HydrophobicContact CG2-CG1 4.45Å; T430-I437 HydrophobicContact CG2-CG2 4.48Å; T430-I437 PolarHBondContact N-O 2.95Å; T430-I437 PolarHBondContact O-N 3.31Å; T430-I437 VanDerWaalsContact O-O 3.06Å; T432-I437 HydrophobicContact CG2-CD1 4.12Å; H435-I437 HydrophobicContact CB-CD1 4.21Å; I437-F444 HydrophobicContact CG2-CD2 4.49Å; I437-Y445 WeakPolarHBondContact CA-O 3.41Å; I437-L446 HydrophobicContact CB-CD1 4.37Å; I437-L446 HydrophobicContact CD1-CD1 4.25Å; I437-L446 HydrophobicContact CG1-CD1 3.29Å; I437-L446 HydrophobicContact CG1-CG 4.45Å; I437-L446 HydrophobicContact CG2-CD1 4.42Å; I437-I505 HydrophobicContact CG2-CD1 4.18Å; I437-A507 HydrophobicContact CD1-CB 3.84Å; I437-L512 HydrophobicContact CG2-CD1 4.04Å; I437-L512 HydrophobicContact CG2-CD2 4.2Å
438T94.3Very high91.3Very high0 Ų028.2 Ų28.20%013%0.129CC..EExtended strand (participates in β ladder)trans-125.6141.5175.762.60000110.1L407 P426 F428 V429 V436 F444 Y445L407-T438 HydrophobicContact CD1-CG2 3.55Å; L407-T438 HydrophobicContact CD2-CG2 3.85Å; L407-T438 HydrophobicContact CG-CG2 4.35Å; P426-T438 HydrophobicContact CB-CG2 4.26Å; F428-T438 CarbonylContact O-C 3.02Å; F428-T438 VanDerWaalsContact O-CA 3.29Å; F428-T438 WeakPolarHBondContact O-CA 3.28Å; V429-T438 HydrophobicContact CB-CG2 4.43Å; V429-T438 HydrophobicContact CG1-CG2 4.08Å; V429-T438 HydrophobicContact CG2-CG2 3.92Å; V436-T438 HydrophobicContact CG1-CG2 4.11Å; T438-F444 CarbonylContact O-C 3.58Å; T438-F444 VanDerWaalsContact O-CA 3.3Å; T438-F444 WeakPolarHBondContact O-CA 3.17Å; T438-Y445 PolarHBondContact N-O 3.48Å; T438-Y445 PolarHBondContact O-N 3.38Å
439A93.4Very high91Very high0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-130.8139.1179.100000111.6L427 F428 A443 F444 I502 I505L427-A439 PolarHBondContact N-O 2.97Å; L427-A439 VanDerWaalsContact N-O 3.08Å; F428-A439 HydrophobicContact CB-CB 4.33Å; F428-A439 HydrophobicContact CD2-CB 4.22Å; F428-A439 PolarHBondContact N-O 3.03Å; F428-A439 PolarHBondContact O-N 3.05Å; A439-A443 WeakPolarHBondContact CA-O 3.49Å; A439-F444 HydrophobicContact CB-CB 3.79Å; A439-I502 HydrophobicContact CB-CD1 4Å; A439-I502 HydrophobicContact CB-CG2 4.25Å; A439-I505 HydrophobicContact CB-CD1 4Å; A439-I505 HydrophobicContact CB-CG2 3.94Å
440S92.1Very high90Very high7 Ų731.2 Ų31.25%0.04914%0.137CC..  trans-90.7-166.3162.9630000109.2E425 A443 I502E425-S440 VanDerWaalsContact O-CA 3.28Å; E425-S440 WeakPolarHBondContact O-CA 3.35Å; E425-S440 WeakPolarHBondContact O-CB 3.29Å; S440-A443 PolarHBondContact N-O 3Å; S440-A443 PolarHBondContact OG-N 2.99Å; S440-A443 PolarHBondContact OG-O 2.99Å; S440-I502 WeakPolarHBondContact O-CB 3.46Å
441K90.5Very high88.5Confident105 Ų10532.8 Ų32.846%0.45715%0.146SC..SBendtrans-74.5-32.5174.5-71.3-176.8-176.3174.90112L427 P501 I502L427-K441 HydrophobicContact CD1-CD 4.48Å; L427-K441 HydrophobicContact CD1-CG 3.78Å; K441-P501 HydrophobicContact CB-CB 3.8Å; K441-P501 HydrophobicContact CG-CB 4.33Å; K441-P501 CarbonylContact O-C 3.49Å; K441-P501 VanDerWaalsContact O-CA 3.28Å; K441-P501 WeakPolarHBondContact O-CA 3.28Å; K441-P501 WeakPolarHBondContact O-CB 3.49Å; K441-I502 PolarHBondContact O-N 3.34Å
442E90Very high86.6Confident60 Ų6036.6 Ų36.628%0.2818%0.179SC..SBendtrans-100.8-32.3-172.1-56.476-163.600113.1H476 I477 A496 T498E442-H476 PolarHBondContact O-CD2 2.91Å; E442-I477 VanDerWaalsContact O-CB 3.28Å; E442-I477 WeakPolarHBondContact O-CB 3.29Å; E442-I477 WeakPolarHBondContact O-CG2 3.49Å; E442-I477 PolarHBondContact O-N 2.91Å; E442-A496 WeakPolarHBondContact CG-O 3.42Å; E442-T498 HydrophobicContact CG-CG2 4.31Å
443A90.8Very high84.7Confident0 Ų045.8 Ų45.80%022%0.219CC..EExtended strand (participates in β ladder)trans-144.3157.8-171.300000113.3A439 S440 Y475 A494A439-A443 WeakPolarHBondContact CA-O 3.49Å; S440-A443 PolarHBondContact N-O 3Å; S440-A443 PolarHBondContact OG-N 2.99Å; S440-A443 PolarHBondContact OG-O 2.99Å; A443-Y475 WeakPolarHBondContact CA-O 3.29Å; A443-Y475 WeakPolarHBondContact CB-O 3.39Å; A443-A494 HydrophobicContact CB-CB 4.14Å; A443-A494 VanDerWaalsContact CB-O 3.28Å; A443-A494 WeakPolarHBondContact CB-O 3.49Å
444F91.6Very high82.6Confident1 Ų146.4 Ų46.40%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-122.5147.817168.9-88.6000111.9I437 T438 A439 Y475 I477 I502 L512 Y524 V529I437-F444 HydrophobicContact CG2-CD2 4.49Å; T438-F444 CarbonylContact O-C 3.58Å; T438-F444 VanDerWaalsContact O-CA 3.3Å; T438-F444 WeakPolarHBondContact O-CA 3.17Å; A439-F444 HydrophobicContact CB-CB 3.79Å; F444-Y475 HydrophobicContact CD2-CD2 4.33Å; F444-Y475 AromaticContact CE2-CD2 3.58Å; F444-Y475 HydrophobicContact CE2-CD2 3.58Å; F444-Y475 HydrophobicContact CE2-CE2 4.45Å; F444-Y475 HydrophobicContact CE2-CG 4.09Å; F444-Y475 VanDerWaalsContact CZ-CB 3.5Å; F444-Y475 AromaticContact CZ-CD2 3.85Å; F444-Y475 HydrophobicContact CZ-CD2 3.85Å; F444-Y475 AromaticContact CZ-CG 3.88Å; F444-Y475 HydrophobicContact CZ-CG 3.88Å; F444-Y475 PolarHBondContact N-O 3.31Å; F444-Y475 PolarHBondContact O-N 3.42Å; F444-I477 HydrophobicContact CD1-CD1 4.14Å; F444-I477 HydrophobicContact CE1-CD1 4.2Å; F444-I502 HydrophobicContact CB-CD1 4.48Å; F444-L512 HydrophobicContact CD2-CD2 4.01Å; F444-L512 HydrophobicContact CE2-CD2 3.74Å; F444-L512 HydrophobicContact CZ-CD2 4.35Å; F444-Y524 HydrophobicContact CE1-CE2 4.43Å; F444-Y524 HydrophobicContact CZ-CE1 4.29Å; F444-V529 HydrophobicContact CE2-CG1 3.72Å; F444-V529 HydrophobicContact CZ-CG1 3.76Å
445Y91.3Very high80.6Confident1 Ų146.5 Ų46.50%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-117.6136.1-176.8169.9-109.1000109.8L407 I422 I424 I437 T438 W447 E472 R473 F474L407-Y445 HydrophobicContact CD1-CD1 4.34Å; L407-Y445 HydrophobicContact CD1-CE1 4.16Å; I422-Y445 HydrophobicContact CG2-CD1 3.92Å; I422-Y445 HydrophobicContact CG2-CE1 3.57Å; I424-Y445 VanDerWaalsContact CD1-CB 3.47Å; I437-Y445 WeakPolarHBondContact CA-O 3.41Å; T438-Y445 PolarHBondContact N-O 3.48Å; T438-Y445 PolarHBondContact O-N 3.38Å; Y445-W447 HydrophobicContact CD1-CB 4.45Å; Y445-W447 HydrophobicContact CE1-CB 3.61Å; Y445-E472 HydrophobicContact CE2-CB 4Å; Y445-E472 HydrophobicContact CE2-CG 4.37Å; Y445-E472 VanDerWaalsContact OH-CG 3.32Å; Y445-E472 WeakPolarHBondContact OH-CG 3.4Å; Y445-R473 WeakPolarHBondContact CA-O 3.39Å; Y445-R473 WeakPolarHBondContact CD2-O 3.39Å; Y445-F474 AromaticContact CD2-CD1 3.66Å; Y445-F474 HydrophobicContact CD2-CD1 3.66Å; Y445-F474 AromaticContact CD2-CD2 3.95Å; Y445-F474 HydrophobicContact CD2-CD2 3.95Å; Y445-F474 AromaticContact CD2-CE1 3.24Å; Y445-F474 HydrophobicContact CD2-CE1 3.24Å; Y445-F474 AromaticContact CD2-CE2 3.55Å; Y445-F474 HydrophobicContact CD2-CE2 3.55Å; Y445-F474 HydrophobicContact CD2-CG 4Å; Y445-F474 AromaticContact CD2-CZ 3.18Å; Y445-F474 HydrophobicContact CD2-CZ 3.18Å; Y445-F474 HydrophobicContact CE2-CD2 4.23Å; Y445-F474 AromaticContact CE2-CE1 3.93Å; Y445-F474 HydrophobicContact CE2-CE1 3.93Å; Y445-F474 AromaticContact CE2-CE2 3.52Å; Y445-F474 HydrophobicContact CE2-CE2 3.52Å; Y445-F474 AromaticContact CE2-CZ 3.35Å; Y445-F474 HydrophobicContact CE2-CZ 3.35Å; Y445-F474 HydrophobicContact CG-CD1 4.3Å; Y445-F474 AromaticContact CG-CE1 3.85Å; Y445-F474 HydrophobicContact CG-CE1 3.85Å; Y445-F474 HydrophobicContact CG-CZ 4.13Å
446L90.5Very high78.7Confident7 Ų750.1 Ų50.14%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-116.9122.3179.3-160.190.4000109.5I437 E472 R473 L526 V529I437-L446 HydrophobicContact CB-CD1 4.37Å; I437-L446 HydrophobicContact CD1-CD1 4.25Å; I437-L446 HydrophobicContact CG1-CD1 3.29Å; I437-L446 HydrophobicContact CG1-CG 4.45Å; I437-L446 HydrophobicContact CG2-CD1 4.42Å; L446-E472 WeakPolarHBondContact O-CA 3.24Å; L446-R473 HydrophobicContact CB-CB 4.39Å; L446-R473 PolarHBondContact N-O 3.44Å; L446-R473 PolarHBondContact O-N 3.16Å; L446-L526 HydrophobicContact CD1-CD2 3.82Å; L446-L526 HydrophobicContact CD2-CD2 4.24Å; L446-V529 HydrophobicContact CD2-CG2 3.89Å
447W91.3Very high76.6Confident4 Ų453.8 Ų53.82%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-120.1117.7175.117035.3000111I393 L407 L409 D418 K420 H435 V436 Y445I393-W447 HydrophobicContact CD1-CZ3 3.86Å; L407-W447 HydrophobicContact CB-CZ3 4.27Å; L407-W447 HydrophobicContact CD1-CE3 4.41Å; L409-W447 HydrophobicContact CB-CH2 3.89Å; L409-W447 HydrophobicContact CB-CZ3 4.31Å; D418-W447 HydrophobicContact CB-CH2 4.01Å; D418-W447 HydrophobicContact CB-CZ2 3.87Å; D418-W447 WeakPolarHBondContact OD2-CZ2 3.29Å; K420-W447 HydrophobicContact CB-CD2 4.49Å; K420-W447 HydrophobicContact CB-CE3 4.4Å; K420-W447 HydrophobicContact CB-CZ3 4.45Å; K420-W447 HydrophobicContact CG-CD2 3.78Å; K420-W447 HydrophobicContact CG-CE3 4.1Å; K420-W447 HydrophobicContact CG-CG 4.34Å; K420-W447 HydrophobicContact CG-CH2 3.97Å; K420-W447 HydrophobicContact CG-CZ2 3.65Å; K420-W447 HydrophobicContact CG-CZ3 4.18Å; H435-W447 CarbonylContact C-O 3.56Å; H435-W447 VanDerWaalsContact CA-O 3.27Å; H435-W447 WeakPolarHBondContact CA-O 3.37Å; V436-W447 HydrophobicContact CB-CB 4.43Å; V436-W447 HydrophobicContact CB-CE3 3.85Å; V436-W447 HydrophobicContact CG1-CE3 4.25Å; V436-W447 HydrophobicContact CG2-CE3 3.92Å; V436-W447 HydrophobicContact CG2-CZ3 4.23Å; V436-W447 PolarHBondContact N-O 3.48Å; V436-W447 PolarHBondContact O-N 3.44Å; Y445-W447 HydrophobicContact CD1-CB 4.45Å; Y445-W447 HydrophobicContact CE1-CB 3.61Å
448Q88.6Confident74.4Confident55 Ų5560.6 Ų60.626%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-86.6118.8173.9-168.9179.73100111.1T434 R471T434-Q448 WeakPolarHBondContact O-CA 3.21Å; Q448-R471 PolarHBondContact N-O 2.88Å
449Y86.3Confident72.2Confident8 Ų864 Ų643%0.03133%0.329CS..  trans-107.4146.9176.770.7-86.3000111.3F391 L409 M431 T432 R433 T434 V436 V451F391-Y449 AromaticContact CD2-CE2 3.73Å; F391-Y449 HydrophobicContact CD2-CE2 3.73Å; F391-Y449 HydrophobicContact CE2-CE2 4.02Å; F391-Y449 HydrophobicContact CG-CE2 4.3Å; L409-Y449 HydrophobicContact CD1-CE2 4.44Å; L409-Y449 HydrophobicContact CD2-CD2 3.52Å; L409-Y449 HydrophobicContact CD2-CE2 4.11Å; L409-Y449 HydrophobicContact CD2-CG 3.85Å; M431-Y449 HydrophobicContact CG-CE1 4.06Å; M431-Y449 HydrophobicContact SD-CE1 4.15Å; T432-Y449 PolarHBondContact O-OH 3.05Å; R433-Y449 VanDerWaalsContact C-OH 3.31Å; R433-Y449 PolarHBondContact O-OH 3.24Å; T434-Y449 WeakPolarHBondContact O-CD1 3.46Å; T434-Y449 PolarHBondContact O-N 3.31Å; V436-Y449 HydrophobicContact CG2-CD1 3.79Å; V436-Y449 HydrophobicContact CG2-CE1 3.88Å; Y449-V451 HydrophobicContact CD2-CG2 4.22Å; Y449-V451 HydrophobicContact CE2-CG2 4.47Å
450R73.8Confident70.3Confident128 Ų12868.5 Ų68.548%0.48335%0.353SS..  trans-134.3123.3176.4-67-170.7-175.8-170.90.7109.9
451V63.3Low67.9Low51 Ų5173.8 Ų73.831%0.30938%0.38SS..  trans-96125.6178.1-177.70000109.5F391 L417 Y449 K453F391-V451 HydrophobicContact CE1-CB 4.48Å; F391-V451 HydrophobicContact CE1-CG1 4.35Å; F391-V451 HydrophobicContact CE1-CG2 3.71Å; F391-V451 HydrophobicContact CE2-CG2 4.11Å; F391-V451 HydrophobicContact CZ-CB 4Å; F391-V451 HydrophobicContact CZ-CG1 4.18Å; F391-V451 HydrophobicContact CZ-CG2 3.44Å; F391-V451 VanDerWaalsContact CZ-CG2 3.44Å; L417-V451 HydrophobicContact CD1-CG2 4.33Å; Y449-V451 HydrophobicContact CD2-CG2 4.22Å; Y449-V451 HydrophobicContact CE2-CG2 4.47Å; V451-K453 PolarHBondContact O-N 3.44Å
452A52.4Low65.9Low88 Ų8874.7 Ų74.773%0.72739%0.386SS*.G310 helixtrans-62.7-4.2-168.400000116.1K454A452-K454 VanDerWaalsContact C-N 3.33Å; A452-K454 PolarHBondContact O-N 3.44Å
453K48.9Very low63.8Low198 Ų19873.7 Ų73.786%0.86138%0.384SS*.G310 helixtrans-77.7-3.3-170.9-80-173.1173.3-177.50115.8V451V451-K453 PolarHBondContact O-N 3.44Å
454K42.4Very low61.7Low195 Ų19578.5 Ų78.585%0.84841%0.413SS*.G310 helixtrans-14943.6177.7-71.7-172.1177.9175.30114A452A452-K454 VanDerWaalsContact C-N 3.33Å; A452-K454 PolarHBondContact O-N 3.44Å
455L43.8Very low59.4Low57 Ų5789.3 Ų89.330%0.29845%0.454SS..  trans-96.1123.8171.5-70.6163.9000109.7E459 I460L455-E459 WeakPolarHBondContact CA-OE2 3.32Å; L455-E459 HydrophobicContact CB-CB 4.3Å; L455-E459 HydrophobicContact CD2-CB 3.58Å; L455-E459 HydrophobicContact CD2-CG 4.28Å; L455-I460 HydrophobicContact CB-CG1 4.19Å
456T50.6Low57.2Low87 Ų8793 Ų9353%0.53448%0.476SS..  trans-67.4155.1168.252.60000110L458 E459 I460T456-L458 PolarHBondContact O-N 2.88Å; T456-E459 PolarHBondContact N-OE2 3.43Å; T456-E459 PolarHBondContact O-N 3Å; T456-E459 PolarHBondContact OG1-OE2 3.44Å; T456-I460 PolarHBondContact O-N 3.15Å
457A48.2Very low55Low77 Ų77100.3 Ų100.364%0.63651%0.508SS*.Hα-helixtrans-54.7-25.8-178.900000113.9
458L48.4Very low52.7Low143 Ų143110 Ų11075%0.74955%0.55SS**Hα-helixtrans-68.2-37.5173.5-97.5137.9000113.3T456 N461 Q462T456-L458 PolarHBondContact O-N 2.88Å; L458-N461 PolarHBondContact O-N 2.95Å; L458-Q462 PolarHBondContact O-N 2.98Å
459E48.3Very low50.4Low72 Ų72110.5 Ų110.534%0.33657%0.57SS.*Hα-helixtrans-76.9-28.1-179.8-64.3168.1124.400111.6L455 T456 N461 Q462 V463L455-E459 WeakPolarHBondContact CA-OE2 3.32Å; L455-E459 HydrophobicContact CB-CB 4.3Å; L455-E459 HydrophobicContact CD2-CB 3.58Å; L455-E459 HydrophobicContact CD2-CG 4.28Å; T456-E459 PolarHBondContact N-OE2 3.43Å; T456-E459 PolarHBondContact O-N 3Å; T456-E459 PolarHBondContact OG1-OE2 3.44Å; E459-N461 VanDerWaalsContact C-N 3.3Å; E459-N461 PolarHBondContact O-N 2.77Å; E459-Q462 PolarHBondContact O-N 2.97Å; E459-V463 VanDerWaalsContact O-CG2 3.22Å; E459-V463 WeakPolarHBondContact O-CG2 3.27Å; E459-V463 PolarHBondContact O-N 3.28Å
460I52.4Low48.8Very low95 Ų95112.3 Ų112.349%0.48759%0.591SS.*Hα-helixtrans-62.1-38172.5-60.6176.1000110.9L455 T456 V463 T464L455-I460 HydrophobicContact CB-CG1 4.19Å; T456-I460 PolarHBondContact O-N 3.15Å; I460-V463 PolarHBondContact O-N 3.48Å; I460-T464 PolarHBondContact O-N 2.97Å; I460-T464 PolarHBondContact O-OG1 3.34Å
461N43.2Very low48.4Very low117 Ų117111 Ų11163%0.62659%0.586SS**Hα-helixtrans-74-23176.8-84.1-30.5000114.1L458 E459 T464L458-N461 PolarHBondContact O-N 2.95Å; E459-N461 VanDerWaalsContact C-N 3.3Å; E459-N461 PolarHBondContact O-N 2.77Å; N461-T464 PolarHBondContact O-OG1 3.13Å; N461-T464 VanDerWaalsContact O-OG1 3.1Å
462Q48.4Very low49.1Very low125 Ų125112.1 Ų112.158%0.58459%0.588SS**Hα-helixtrans-79.8-28.5169.8-75.9-174.7-11.500112.3L458 E459 T464 R465 T466L458-Q462 PolarHBondContact O-N 2.98Å; E459-Q462 PolarHBondContact O-N 2.97Å; Q462-T464 VanDerWaalsContact C-N 3.33Å; Q462-T464 PolarHBondContact O-N 3.31Å; Q462-R465 PolarHBondContact O-N 3.45Å; Q462-T466 PolarHBondContact O-N 3.42Å; Q462-T466 PolarHBondContact O-OG1 2.92Å
463V46.1Very low50.5Low39 Ų39111.5 Ų111.524%0.23657%0.567CS.*Hα-helixtrans-67.4-30.9178.1167.20000112.4E459 I460 R465E459-V463 VanDerWaalsContact O-CG2 3.22Å; E459-V463 WeakPolarHBondContact O-CG2 3.27Å; E459-V463 PolarHBondContact O-N 3.28Å; I460-V463 PolarHBondContact O-N 3.48Å; V463-R465 VanDerWaalsContact C-N 3.34Å
464T46.1Very low52.2Low100 Ų100104 Ų10461%0.61353%0.534SS*.THydrogen-bonded Turntrans-72.9-23.6173.632.10000113.4I460 N461 Q462I460-T464 PolarHBondContact O-N 2.97Å; I460-T464 PolarHBondContact O-OG1 3.34Å; N461-T464 PolarHBondContact O-OG1 3.13Å; N461-T464 VanDerWaalsContact O-OG1 3.1Å; Q462-T464 VanDerWaalsContact C-N 3.33Å; Q462-T464 PolarHBondContact O-N 3.31Å
465R43.6Very low54.2Low229 Ų22995.9 Ų95.986%0.86450%0.499SS*.THydrogen-bonded Turntrans-89.1-18.3179.9-80.7-176.4168.6-178.5-2.7115.3Q462 V463Q462-R465 PolarHBondContact O-N 3.45Å; V463-R465 VanDerWaalsContact C-N 3.34Å
466T44.6Very low56.3Low77 Ų7794.1 Ų94.147%0.47249%0.489SS..  trans-110.322.1-170.749.50000114.7Q462 K468Q462-T466 PolarHBondContact O-N 3.42Å; Q462-T466 PolarHBondContact O-OG1 2.92Å; T466-K468 PolarHBondContact O-N 2.99Å
467K44Very low58Low161 Ų16190 Ų9070%0.746%0.463SS*.  trans-76.286.4173.9-80.2-175.3174.5-179.50110.6
468K43.7Very low59.8Low208 Ų20890 Ų9090%0.90445%0.453SS*.SBend165.1-24.3125-91.6177.7170.3-173.60116.4T466T466-K468 PolarHBondContact O-N 2.99Å
469G39.9Very low61.4Low65 Ų6585.6 Ų85.667%0.6743%0.434SS*.SBendtrans-104.4-16.6-170.100000118.3
470G51.6Low62.8Low46 Ų4687.3 Ų87.347%0.47445%0.445SS..SBendtrans-109.33.8-164.400000117.7
471R67.1Low63.9Low102 Ų10283.2 Ų83.239%0.38543%0.425SS..SBendtrans-97.6-15.7-168.7-67.4-174.6-178-173.4-1.4114.8Q448Q448-R471 PolarHBondContact N-O 2.88Å
472E78.2Confident65.2Low73 Ų7382.3 Ų82.334%0.34143%0.428SS..EExtended strand (participates in β ladder)trans-135.6130-171.1-65.5175.6-163.500106.9K420 Y445 L446K420-E472 WeakPolarHBondContact CD-OE1 3.48Å; K420-E472 WeakPolarHBondContact CE-OE1 3.35Å; K420-E472 IonicContact NZ-OE1 3.16Å; K420-E472 PolarHBondContact NZ-OE1 3.36Å; Y445-E472 HydrophobicContact CE2-CB 4Å; Y445-E472 HydrophobicContact CE2-CG 4.37Å; Y445-E472 VanDerWaalsContact OH-CG 3.32Å; Y445-E472 WeakPolarHBondContact OH-CG 3.4Å; L446-E472 WeakPolarHBondContact O-CA 3.24Å
473R81.5Confident65.7Low75 Ų7577.5 Ų77.528%0.28341%0.412SS..EExtended strand (participates in β ladder)trans-138.8140.1-179.3-58.9-171.8-175.8-175.1-3.4110Y445 L446 Y475 N528Y445-R473 WeakPolarHBondContact CA-O 3.39Å; Y445-R473 WeakPolarHBondContact CD2-O 3.39Å; L446-R473 HydrophobicContact CB-CB 4.39Å; L446-R473 PolarHBondContact N-O 3.44Å; L446-R473 PolarHBondContact O-N 3.16Å; R473-Y475 HydrophobicContact CB-CD2 4.37Å; R473-Y475 HydrophobicContact CB-CE2 3.57Å; R473-Y475 WeakPolarHBondContact CD-OH 3.43Å; R473-N528 PolarHBondContact NH1-O 3.07Å
474F83.6Confident66.1Low41 Ų4177.8 Ų77.818%0.1842%0.422CS..EExtended strand (participates in β ladder)trans-117.6134.4176.6-71.1-89.3000109.3I424 Y445 P489I424-F474 HydrophobicContact CG2-CE1 4.29Å; Y445-F474 AromaticContact CD2-CD1 3.66Å; Y445-F474 HydrophobicContact CD2-CD1 3.66Å; Y445-F474 AromaticContact CD2-CD2 3.95Å; Y445-F474 HydrophobicContact CD2-CD2 3.95Å; Y445-F474 AromaticContact CD2-CE1 3.24Å; Y445-F474 HydrophobicContact CD2-CE1 3.24Å; Y445-F474 AromaticContact CD2-CE2 3.55Å; Y445-F474 HydrophobicContact CD2-CE2 3.55Å; Y445-F474 HydrophobicContact CD2-CG 4Å; Y445-F474 AromaticContact CD2-CZ 3.18Å; Y445-F474 HydrophobicContact CD2-CZ 3.18Å; Y445-F474 HydrophobicContact CE2-CD2 4.23Å; Y445-F474 AromaticContact CE2-CE1 3.93Å; Y445-F474 HydrophobicContact CE2-CE1 3.93Å; Y445-F474 AromaticContact CE2-CE2 3.52Å; Y445-F474 HydrophobicContact CE2-CE2 3.52Å; Y445-F474 AromaticContact CE2-CZ 3.35Å; Y445-F474 HydrophobicContact CE2-CZ 3.35Å; Y445-F474 HydrophobicContact CG-CD1 4.3Å; Y445-F474 AromaticContact CG-CE1 3.85Å; Y445-F474 HydrophobicContact CG-CE1 3.85Å; Y445-F474 HydrophobicContact CG-CZ 4.13Å; F474-P489 HydrophobicContact CB-CB 4.42Å
475Y85.4Confident66.1Low25 Ų2581.1 Ų81.110%0.09844%0.437CS..EExtended strand (participates in β ladder)trans-133.7122.5175.8-61-82.8000109.7A443 F444 R473 P481 V529A443-Y475 WeakPolarHBondContact CA-O 3.29Å; A443-Y475 WeakPolarHBondContact CB-O 3.39Å; F444-Y475 HydrophobicContact CD2-CD2 4.33Å; F444-Y475 AromaticContact CE2-CD2 3.58Å; F444-Y475 HydrophobicContact CE2-CD2 3.58Å; F444-Y475 HydrophobicContact CE2-CE2 4.45Å; F444-Y475 HydrophobicContact CE2-CG 4.09Å; F444-Y475 VanDerWaalsContact CZ-CB 3.5Å; F444-Y475 AromaticContact CZ-CD2 3.85Å; F444-Y475 HydrophobicContact CZ-CD2 3.85Å; F444-Y475 AromaticContact CZ-CG 3.88Å; F444-Y475 HydrophobicContact CZ-CG 3.88Å; F444-Y475 PolarHBondContact N-O 3.31Å; F444-Y475 PolarHBondContact O-N 3.42Å; R473-Y475 HydrophobicContact CB-CD2 4.37Å; R473-Y475 HydrophobicContact CB-CE2 3.57Å; R473-Y475 WeakPolarHBondContact CD-OH 3.43Å; Y475-P481 HydrophobicContact CD1-CB 3.85Å; Y475-P481 HydrophobicContact CD1-CG 4.04Å; Y475-P481 HydrophobicContact CE1-CB 3.64Å; Y475-P481 HydrophobicContact CE1-CG 4.22Å; Y475-V529 HydrophobicContact CD2-CB 4.47Å; Y475-V529 HydrophobicContact CD2-CG1 3.92Å; Y475-V529 HydrophobicContact CE2-CB 3.73Å; Y475-V529 HydrophobicContact CE2-CG1 3.67Å; Y475-V529 HydrophobicContact CE2-CG2 3.74Å; Y475-V529 HydrophobicContact CG-CG1 4.45Å
476H88.1Confident66.3Low19 Ų1975.4 Ų75.49%0.08842%0.423CS..EExtended strand (participates in β ladder)trans-68.7137.8164.9-176.7-91.3000109.1E442 D478 S479 N493 A496E442-H476 PolarHBondContact O-CD2 2.91Å; H476-D478 IonicContact CE1-OD2 3.15Å; H476-D478 PolarHBondContact CE1-OD2 3.35Å; H476-D478 VanDerWaalsContact CE1-OD2 3.29Å; H476-D478 PolarHBondContact ND1-N 3.11Å; H476-D478 PolarHBondContact O-N 2.89Å; H476-S479 WeakPolarHBondContact CB-OG 3.16Å; H476-S479 WeakPolarHBondContact O-CB 3.42Å; H476-S479 PolarHBondContact O-N 3.36Å; H476-S479 PolarHBondContact O-OG 3.47Å; H476-N493 PolarHBondContact CD2-O 3.37Å; H476-N493 VanDerWaalsContact CD2-O 3.25Å; H476-A496 PolarHBondContact NE2-O 3.19Å
477I86.1Confident66.4Low0 Ų079.2 Ų79.20%044%0.441CS..THydrogen-bonded Turntrans-63.8-28.7-168.6-165.255000113.5E442 F444 S479 T498 I502 V514 R516E442-I477 VanDerWaalsContact O-CB 3.28Å; E442-I477 WeakPolarHBondContact O-CB 3.29Å; E442-I477 WeakPolarHBondContact O-CG2 3.49Å; E442-I477 PolarHBondContact O-N 2.91Å; F444-I477 HydrophobicContact CD1-CD1 4.14Å; F444-I477 HydrophobicContact CE1-CD1 4.2Å; I477-S479 VanDerWaalsContact C-N 3.26Å; I477-S479 PolarHBondContact O-N 3.26Å; I477-T498 HydrophobicContact CG2-CG2 4.29Å; I477-I502 HydrophobicContact CB-CD1 4.04Å; I477-I502 HydrophobicContact CB-CG1 4.08Å; I477-I502 HydrophobicContact CD1-CD1 3.83Å; I477-I502 HydrophobicContact CD1-CG1 3.89Å; I477-I502 HydrophobicContact CG1-CD1 3.92Å; I477-I502 HydrophobicContact CG1-CG1 3.64Å; I477-V514 HydrophobicContact CD1-CB 4.24Å; I477-V514 HydrophobicContact CD1-CG1 3.59Å; I477-R516 PolarHBondContact O-NH2 3.09Å
478D84.9Confident66.5Low79 Ų7978.5 Ų78.542%0.42244%0.444SS..THydrogen-bonded Turntrans-80.4-5.3177.5-64.4-40000113.7H476 T498 R516H476-D478 IonicContact CE1-OD2 3.15Å; H476-D478 PolarHBondContact CE1-OD2 3.35Å; H476-D478 VanDerWaalsContact CE1-OD2 3.29Å; H476-D478 PolarHBondContact ND1-N 3.11Å; H476-D478 PolarHBondContact O-N 2.89Å; D478-T498 WeakPolarHBondContact OD2-CB 3.36Å; D478-T498 PolarHBondContact OD2-OG1 3.32Å; D478-R516 IonicContact OD1-CZ 2.77Å; D478-R516 IonicContact OD1-NH1 3.66Å; D478-R516 PolarHBondContact OD1-NH1 3.49Å; D478-R516 IonicContact OD1-NH2 3.54Å; D478-R516 PolarHBondContact OD1-NH2 3.46Å
479S82.4Confident67Low49 Ų4971.3 Ų71.334%0.34342%0.419SS..  trans-75.4144.5175.1-38.60000110.1H476 I477 P481H476-S479 WeakPolarHBondContact CB-OG 3.16Å; H476-S479 WeakPolarHBondContact O-CB 3.42Å; H476-S479 PolarHBondContact O-N 3.36Å; H476-S479 PolarHBondContact O-OG 3.47Å; I477-S479 VanDerWaalsContact C-N 3.26Å; I477-S479 PolarHBondContact O-N 3.26Å; S479-P481 VanDerWaalsContact C-CD 3.41Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å
480N78.1Confident67.7Low108 Ų10873.4 Ų73.458%0.57842%0.415SS*.  trans-107.380.9171.5-73.7-21.4000109.6S482 L531N480-S482 PolarHBondContact O-N 3.29Å; N480-L531 HydrophobicContact CB-CD2 4.44Å; N480-L531 WeakPolarHBondContact OD1-CD2 3.48Å
481P75.3Confident68.2Low9 Ų975.3 Ų75.36%0.05841%0.413CS..  trans-62.5131179.525.8-34.8000110.9Y475 S479 Y524 V529 A530 L531Y475-P481 HydrophobicContact CD1-CB 3.85Å; Y475-P481 HydrophobicContact CD1-CG 4.04Å; Y475-P481 HydrophobicContact CE1-CB 3.64Å; Y475-P481 HydrophobicContact CE1-CG 4.22Å; S479-P481 VanDerWaalsContact C-CD 3.41Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å; P481-Y524 HydrophobicContact CG-CD1 4.15Å; P481-Y524 HydrophobicContact CG-CE1 3.83Å; P481-V529 WeakPolarHBondContact CB-O 3.29Å; P481-V529 WeakPolarHBondContact CG-O 3.43Å; P481-A530 WeakPolarHBondContact O-CA 3.43Å; P481-L531 PolarHBondContact O-N 3.25Å; P481-L531 VanDerWaalsContact O-N 3.17Å
482S69.9Low67.9Low98 Ų9874.1 Ų74.169%0.68542%0.421SS*.  trans-96.6-0.9-177.852.30000113.4N480 G484N480-S482 PolarHBondContact O-N 3.29Å; S482-G484 VanDerWaalsContact C-N 3.31Å; S482-G484 PolarHBondContact O-N 3.39Å
483G60.2Low67.3Low24 Ų2475.6 Ų75.625%0.24743%0.431CS..SBendtrans77.76.6175.100000115.7
484G53.7Low66.5Low45 Ų4572.3 Ų72.346%0.46442%0.42SS..SBendtrans-78.9173.2170.600000112.9S482 D486S482-G484 VanDerWaalsContact C-N 3.31Å; S482-G484 PolarHBondContact O-N 3.39Å; G484-D486 PolarHBondContact O-N 3.32Å
485N46.3Very low66Low171 Ų17175.2 Ų75.291%0.91443%0.433SS*.  trans-63.482.2172.1-76.9-15.2000109.5D487N485-D487 PolarHBondContact O-N 2.93Å
486D47.3Very low65.8Low109 Ų10976.1 Ų76.158%0.58345%0.445SS*.  trans-69.1122.6165.9-80.2-26.9000107.6G484G484-D486 PolarHBondContact O-N 3.32Å
487D46.5Very low65.4Low157 Ų15781.5 Ų81.584%0.8448%0.479SS*.  trans-49.8153.4165.1-78.4-42.7000110N485N485-D487 PolarHBondContact O-N 2.93Å
488D47.6Very low65.4Low145 Ų14582.7 Ų82.778%0.77549%0.487SS*.SBendtrans-26.4119.4-174.1-96.2-31.1000113.2D490D488-D490 PolarHBondContact O-N 2.96Å
489P52.7Low65.5Low57 Ų5791 Ų9137%0.3751%0.512SS..  trans-60.6116.3-177.323.9-31.7000108.8F474 I491F474-P489 HydrophobicContact CB-CB 4.42Å; P489-I491 VanDerWaalsContact C-N 3.33Å; P489-I491 PolarHBondContact O-N 3.32Å
490D54.5Low65.8Low110 Ų11089.9 Ų89.959%0.58850%0.503SS*.  trans-66.292.9178.7-147.2-19.7000108.1D488 S492 N493D488-D490 PolarHBondContact O-N 2.96Å; D490-S492 PolarHBondContact O-N 2.88Å; D490-S492 PolarHBondContact OD1-OG 2.84Å; D490-N493 PolarHBondContact O-N 2.79Å
491I62.3Low66.5Low85 Ų8585.7 Ų85.744%0.43648%0.481SS..Hα-helixtrans-50.2-29-175.7-69168.7000111.1P489 N493 A494 F495P489-I491 VanDerWaalsContact C-N 3.33Å; P489-I491 PolarHBondContact O-N 3.32Å; I491-N493 VanDerWaalsContact C-N 3.29Å; I491-N493 PolarHBondContact O-N 3.49Å; I491-A494 WeakPolarHBondContact O-CB 3.22Å; I491-A494 PolarHBondContact O-N 3.33Å; I491-A494 VanDerWaalsContact O-N 3.11Å; I491-F495 HydrophobicContact CG2-CD2 4.35Å; I491-F495 HydrophobicContact CG2-CE2 3.62Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.19Å
492S61.9Low67.3Low77 Ų7785.3 Ų85.354%0.53848%0.479SS..Hα-helixtrans-54.7-38.7175.762.50000113.7D490 A494D490-S492 PolarHBondContact O-N 2.88Å; D490-S492 PolarHBondContact OD1-OG 2.84Å; S492-A494 VanDerWaalsContact C-N 3.35Å
493N65.5Low68.4Low104 Ų10481 Ų8156%0.55645%0.449SS*.Hα-helixtrans-77.6-19.1179.9-75.5-33.7000113.2H476 D490 I491 F495 A496H476-N493 PolarHBondContact CD2-O 3.37Å; H476-N493 VanDerWaalsContact CD2-O 3.25Å; D490-N493 PolarHBondContact O-N 2.79Å; I491-N493 VanDerWaalsContact C-N 3.29Å; I491-N493 PolarHBondContact O-N 3.49Å; N493-F495 PolarHBondContact O-N 2.99Å; N493-A496 PolarHBondContact O-N 3.39Å
494A63.6Low69.9Low6 Ų680.3 Ų80.35%0.0544%0.439CS..Hα-helixtrans-69.8-20.1179.200000113.1A443 I491 S492A443-A494 HydrophobicContact CB-CB 4.14Å; A443-A494 VanDerWaalsContact CB-O 3.28Å; A443-A494 WeakPolarHBondContact CB-O 3.49Å; I491-A494 WeakPolarHBondContact O-CB 3.22Å; I491-A494 PolarHBondContact O-N 3.33Å; I491-A494 VanDerWaalsContact O-N 3.11Å; S492-A494 VanDerWaalsContact C-N 3.35Å
495F74.1Confident71.9Confident103 Ų10379.1 Ų79.145%0.45242%0.422SS..THydrogen-bonded Turntrans-10110.3-180-60.8-75.5000113.7D423 I424 I491 N493D423-F495 HydrophobicContact CB-CZ 4.02Å; D423-F495 WeakPolarHBondContact O-CE1 3.47Å; I424-F495 HydrophobicContact CG2-CE1 3.93Å; I424-F495 HydrophobicContact CG2-CZ 4.12Å; I491-F495 HydrophobicContact CG2-CD2 4.35Å; I491-F495 HydrophobicContact CG2-CE2 3.62Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.19Å; N493-F495 PolarHBondContact O-N 2.99Å
496A79.9Confident74.2Confident43 Ų4371.7 Ų71.736%0.35538%0.383SS..PPolyproline II helixtrans-64.6139.3175.200000110.5E442 H476 N493 T498E442-A496 WeakPolarHBondContact CG-O 3.42Å; H476-A496 PolarHBondContact NE2-O 3.19Å; N493-A496 PolarHBondContact O-N 3.39Å; A496-T498 PolarHBondContact O-N 3.17Å
497T80.5Confident76.4Confident132 Ų13267.2 Ų67.281%0.8136%0.361SS*.PPolyproline II helixtrans-69.9127.3178.152.90000110.6
498T86.5Confident78.5Confident26 Ų2661 Ų6116%0.1633%0.329CS..PPolyproline II helixtrans-97.5152174-170.40000111.9E442 I477 D478 A496 D500 P501E442-T498 HydrophobicContact CG-CG2 4.31Å; I477-T498 HydrophobicContact CG2-CG2 4.29Å; D478-T498 WeakPolarHBondContact OD2-CB 3.36Å; D478-T498 PolarHBondContact OD2-OG1 3.32Å; A496-T498 PolarHBondContact O-N 3.17Å; T498-D500 PolarHBondContact OG1-N 3.12Å; T498-P501 HydrophobicContact CG2-CB 4.04Å
499R86.9Confident80.4Confident253 Ų25357.3 Ų57.396%0.95531%0.309SS*.SBendtrans-84.8-16172.4-65.6-176.5-179.2-177.20.4112.8
500D89Confident82.1Confident26 Ų2661.4 Ų61.414%0.13932%0.321CS..SBendtrans-137.284.4-175.1-176.525.4000110.1T498 R516 E517 S518T498-D500 PolarHBondContact OG1-N 3.12Å; D500-R516 PolarHBondContact O-NH1 2.88Å; D500-R516 WeakPolarHBondContact OD2-CB 3.23Å; D500-R516 WeakPolarHBondContact OD2-CD 3.48Å; D500-R516 IonicContact OD2-NH1 3.32Å; D500-E517 PolarHBondContact OD1-N 2.76Å; D500-S518 VanDerWaalsContact CG-CB 3.47Å; D500-S518 VanDerWaalsContact OD1-CB 3.24Å; D500-S518 WeakPolarHBondContact OD1-CB 3.28Å; D500-S518 PolarHBondContact OD1-N 3.48Å; D500-S518 PolarHBondContact OD1-OG 2.73Å; D500-S518 VanDerWaalsContact OD2-CB 3.27Å; D500-S518 WeakPolarHBondContact OD2-CB 3.36Å; D500-S518 PolarHBondContact OD2-OG 3.24Å
501P91.9Very high83.9Confident20 Ų2056.5 Ų56.513%0.1330%0.295CS..  trans-73.9160.7-170.129.9-35000113.2K441 T498 R516 E517K441-P501 HydrophobicContact CB-CB 3.8Å; K441-P501 HydrophobicContact CG-CB 4.33Å; K441-P501 CarbonylContact O-C 3.49Å; K441-P501 VanDerWaalsContact O-CA 3.28Å; K441-P501 WeakPolarHBondContact O-CA 3.28Å; K441-P501 WeakPolarHBondContact O-CB 3.49Å; T498-P501 HydrophobicContact CG2-CB 4.04Å; P501-R516 WeakPolarHBondContact O-CA 3.46Å; P501-E517 HydrophobicContact CG-CB 4.26Å; P501-E517 VanDerWaalsContact CG-CD 3.47Å; P501-E517 HydrophobicContact CG-CG 3.83Å; P501-E517 WeakPolarHBondContact CG-OE2 3.42Å; P501-E517 PolarHBondContact O-N 2.75Å
502I93.3Very high85.4Confident1 Ų152.4 Ų52.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-67.1136.4173.5-58.9174000109.5F428 A439 S440 K441 F444 I477 I505 V514F428-I502 HydrophobicContact CD2-CG2 3.88Å; F428-I502 HydrophobicContact CE2-CB 4.39Å; F428-I502 HydrophobicContact CE2-CG2 4.02Å; F428-I502 VanDerWaalsContact CE2-O 3.27Å; F428-I502 WeakPolarHBondContact CE2-O 3.33Å; A439-I502 HydrophobicContact CB-CD1 4Å; A439-I502 HydrophobicContact CB-CG2 4.25Å; S440-I502 WeakPolarHBondContact O-CB 3.46Å; K441-I502 PolarHBondContact O-N 3.34Å; F444-I502 HydrophobicContact CB-CD1 4.48Å; I477-I502 HydrophobicContact CB-CD1 4.04Å; I477-I502 HydrophobicContact CB-CG1 4.08Å; I477-I502 HydrophobicContact CD1-CD1 3.83Å; I477-I502 HydrophobicContact CD1-CG1 3.89Å; I477-I502 HydrophobicContact CG1-CD1 3.92Å; I477-I502 HydrophobicContact CG1-CG1 3.64Å; I502-I505 HydrophobicContact CG2-CG2 3.95Å; I502-V514 HydrophobicContact CB-CG1 4.4Å; I502-V514 HydrophobicContact CD1-CG1 4.09Å; I502-V514 HydrophobicContact CG1-CG1 3.88Å; I502-V514 HydrophobicContact CG2-CG1 3.79Å
503C91.7Very high86.9Confident8 Ų848.8 Ų48.85%0.05425%0.249CC..EExtended strand (participates in β ladder)trans-119.5-19.9177690000114.8F428 G515 R516 E517 R540 A541F428-C503 WeakPolarHBondContact CE1-O 3.49Å; F428-C503 VanDerWaalsContact CZ-O 3.32Å; F428-C503 WeakPolarHBondContact CZ-O 3.48Å; C503-G515 PolarHBondContact N-O 3.26Å; C503-G515 VanDerWaalsContact SG-C 3.57Å; C503-G515 PolarHBondContact SG-O 3.2Å; C503-G515 VanDerWaalsContact SG-O 3.4Å; C503-R516 VanDerWaalsContact SG-C 3.53Å; C503-E517 HydrophobicContact CB-CG 3.87Å; C503-R540 HydrophobicContact CB-CG 4.49Å; C503-A541 PolarHBondContact SG-O 2.85Å
504C92.1Very high88.3Confident8 Ų843.8 Ų43.85%0.05422%0.222CC..EExtended strand (participates in β ladder)trans-166.9152.6177.552.90000111.2G515 L544C504-G515 PolarHBondContact O-N 3.32Å; C504-L544 HydrophobicContact CB-CD1 4.4Å; C504-L544 HydrophobicContact CB-CG 4.43Å; C504-L544 WeakPolarHBondContact SG-CD1 3.46Å; C504-L544 VanDerWaalsContact SG-CG 3.59Å
505I95.3Very high89.7Confident20 Ų2043.5 Ų43.510%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-135.5150.4176.465.9179.9000111F428 T430 I437 A439 I502 I513 V514F428-I505 HydrophobicContact CB-CD1 3.94Å; F428-I505 HydrophobicContact CB-CG1 3.84Å; F428-I505 WeakPolarHBondContact O-CD1 3.4Å; T430-I505 HydrophobicContact CG2-CD1 3.84Å; T430-I505 HydrophobicContact CG2-CG1 3.9Å; I437-I505 HydrophobicContact CG2-CD1 4.18Å; A439-I505 HydrophobicContact CB-CD1 4Å; A439-I505 HydrophobicContact CB-CG2 3.94Å; I502-I505 HydrophobicContact CG2-CG2 3.95Å; I505-I513 WeakPolarHBondContact CA-O 3.29Å; I505-V514 HydrophobicContact CG2-CB 4.44Å; I505-V514 HydrophobicContact CG2-CG1 4.08Å; I505-V514 HydrophobicContact CG2-CG2 4.14Å
506T94.7Very high90.6Very high16 Ų1639.2 Ų39.210%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-149.9150.6170.3-166.70000110.2I513 L544 L546 L553T506-I513 HydrophobicContact CG2-CB 3.86Å; T506-I513 HydrophobicContact CG2-CG1 4.37Å; T506-I513 HydrophobicContact CG2-CG2 4.45Å; T506-I513 PolarHBondContact N-O 2.83Å; T506-I513 PolarHBondContact O-N 3.27Å; T506-L544 WeakPolarHBondContact CB-O 3.49Å; T506-L544 HydrophobicContact CG2-CB 3.6Å; T506-L544 PolarHBondContact OG1-O 2.7Å; T506-L546 HydrophobicContact CG2-CD1 4.2Å; T506-L546 HydrophobicContact CG2-CG 4.03Å; T506-L553 HydrophobicContact CG2-CD1 4.08Å
507A93.7Very high91.1Very high15 Ų1540.5 Ų40.512%0.12420%0.199CC..EExtended strand (participates in β ladder)trans-146.5151.2-17600000113.2T430 T432 I437 T511 L512 L526T430-A507 HydrophobicContact CG2-CB 3.89Å; T432-A507 HydrophobicContact CG2-CB 3.76Å; I437-A507 HydrophobicContact CD1-CB 3.84Å; A507-T511 CarbonylContact C-O 3.58Å; A507-T511 WeakPolarHBondContact CA-O 3.47Å; A507-L512 HydrophobicContact CB-CD1 3.99Å; A507-L526 HydrophobicContact CB-CD1 4.44Å
508T91.3Very high91.5Very high25 Ų2537.4 Ų37.415%0.15318%0.183CC..  trans-118.7176.1164.561.90000109T432 K510 T511 L526 L546 S550T432-T508 WeakPolarHBondContact CG2-O 3.38Å; T508-K510 PolarHBondContact O-N 3.3Å; T508-K510 PolarHBondContact OG1-N 2.77Å; T508-T511 PolarHBondContact N-O 3.41Å; T508-T511 PolarHBondContact OG1-N 3.12Å; T508-T511 PolarHBondContact OG1-OG1 3.22Å; T508-L526 WeakPolarHBondContact O-CD1 3.49Å; T508-L546 HydrophobicContact CG2-CB 3.71Å; T508-L546 HydrophobicContact CG2-CD1 3.78Å; T508-L546 HydrophobicContact CG2-CG 4.41Å; T508-S550 WeakPolarHBondContact CB-OG 3.43Å; T508-S550 WeakPolarHBondContact CG2-OG 3.32Å; T508-S550 PolarHBondContact OG1-OG 2.89Å
509D87.3Confident91.5Very high69 Ų6936.3 Ų36.337%0.36918%0.177SC..SBendtrans-59.8-15.7176.6-65.1-29.1000113T432 R433T432-D509 WeakPolarHBondContact CB-OD1 3.47Å; R433-D509 IonicContact CZ-OD2 3.7Å; R433-D509 PolarHBondContact N-OD1 3.1Å; R433-D509 IonicContact NH1-OD2 3.61Å; R433-D509 PolarHBondContact NH1-OD2 3.13Å; R433-D509 VanDerWaalsContact NH1-OD2 3.15Å
510K88.4Confident91.7Very high142 Ų14226.9 Ų26.962%0.61715%0.145SC*.SBendtrans-110.4-30.8-176.7-62.9-179.2-177.6176.30114.8T508 L526T508-K510 PolarHBondContact O-N 3.3Å; T508-K510 PolarHBondContact OG1-N 2.77Å; K510-L526 PolarHBondContact O-N 3.38Å
511T91.6Very high91.8Very high7 Ų725.8 Ų25.84%0.04314%0.139CC..EExtended strand (participates in β ladder)trans-140.6140.7-169.551.50000111.7A507 T508 Y524 S550A507-T511 CarbonylContact C-O 3.58Å; A507-T511 WeakPolarHBondContact CA-O 3.47Å; T508-T511 PolarHBondContact N-O 3.41Å; T508-T511 PolarHBondContact OG1-N 3.12Å; T508-T511 PolarHBondContact OG1-OG1 3.22Å; T511-Y524 CarbonylContact C-O 3.48Å; T511-Y524 VanDerWaalsContact CA-O 3.31Å; T511-Y524 WeakPolarHBondContact CA-O 3.39Å; T511-S550 WeakPolarHBondContact OG1-CB 3.36Å; T511-S550 PolarHBondContact OG1-OG 2.88Å
512L93.6Very high91.8Very high0 Ų025 Ų250%013%0.134CC..EExtended strand (participates in β ladder)trans-110.5132.2169167.667.7000108.4I437 F444 A507 V514 Y524 L526I437-L512 HydrophobicContact CG2-CD1 4.04Å; I437-L512 HydrophobicContact CG2-CD2 4.2Å; F444-L512 HydrophobicContact CD2-CD2 4.01Å; F444-L512 HydrophobicContact CE2-CD2 3.74Å; F444-L512 HydrophobicContact CZ-CD2 4.35Å; A507-L512 HydrophobicContact CB-CD1 3.99Å; L512-V514 HydrophobicContact CD1-CG2 4.42Å; L512-V514 HydrophobicContact CD2-CG2 4.36Å; L512-V514 HydrophobicContact CG-CG2 4.14Å; L512-Y524 PolarHBondContact N-O 3.29Å; L512-Y524 PolarHBondContact O-N 3Å; L512-L526 HydrophobicContact CB-CD1 4.1Å; L512-L526 HydrophobicContact CB-CD2 4.44Å; L512-L526 HydrophobicContact CB-CG 4.16Å
513I94.3Very high91.8Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-115.2131175.5-58.7-73000108.4I505 T506 I521 Q522 R523 L544 L546 L553 L567I505-I513 WeakPolarHBondContact CA-O 3.29Å; T506-I513 HydrophobicContact CG2-CB 3.86Å; T506-I513 HydrophobicContact CG2-CG1 4.37Å; T506-I513 HydrophobicContact CG2-CG2 4.45Å; T506-I513 PolarHBondContact N-O 2.83Å; T506-I513 PolarHBondContact O-N 3.27Å; I513-I521 HydrophobicContact CG2-CG2 3.4Å; I513-Q522 WeakPolarHBondContact CA-O 3.3Å; I513-R523 HydrophobicContact CD1-CB 3.66Å; I513-R523 HydrophobicContact CD1-CG 3.72Å; I513-L544 HydrophobicContact CG2-CD1 3.93Å; I513-L546 HydrophobicContact CG1-CD1 3.79Å; I513-L546 HydrophobicContact CG1-CD2 4.09Å; I513-L546 HydrophobicContact CG1-CG 4.19Å; I513-L553 HydrophobicContact CG2-CD1 4.44Å; I513-L553 HydrophobicContact CG2-CD2 4.06Å; I513-L567 HydrophobicContact CD1-CD1 4.38Å
514V94.4Very high91.7Very high0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-122.5121.4176.6-175.70000109.3I477 I502 I505 L512 Q522 Y524I477-V514 HydrophobicContact CD1-CB 4.24Å; I477-V514 HydrophobicContact CD1-CG1 3.59Å; I502-V514 HydrophobicContact CB-CG1 4.4Å; I502-V514 HydrophobicContact CD1-CG1 4.09Å; I502-V514 HydrophobicContact CG1-CG1 3.88Å; I502-V514 HydrophobicContact CG2-CG1 3.79Å; I505-V514 HydrophobicContact CG2-CB 4.44Å; I505-V514 HydrophobicContact CG2-CG1 4.08Å; I505-V514 HydrophobicContact CG2-CG2 4.14Å; L512-V514 HydrophobicContact CD1-CG2 4.42Å; L512-V514 HydrophobicContact CD2-CG2 4.36Å; L512-V514 HydrophobicContact CG-CG2 4.14Å; V514-Q522 PolarHBondContact N-O 3.28Å; V514-Q522 PolarHBondContact O-N 3.07Å; V514-Y524 HydrophobicContact CB-CE2 4.25Å; V514-Y524 HydrophobicContact CG2-CD2 4.12Å; V514-Y524 HydrophobicContact CG2-CE2 3.92Å
515G93.9Very high91.6Very high0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-95139.3174.200000111.5C503 C504C503-G515 PolarHBondContact N-O 3.26Å; C503-G515 VanDerWaalsContact SG-C 3.57Å; C503-G515 PolarHBondContact SG-O 3.2Å; C503-G515 VanDerWaalsContact SG-O 3.4Å; C504-G515 PolarHBondContact O-N 3.32Å
516R92.4Very high91.2Very high12 Ų1228 Ų285%0.04515%0.148CC..EExtended strand (participates in β ladder)trans-109.1157177.5-62-161.4172.2-150.718.7112.5I477 D478 D500 P501 C503 S518 G519 I520 Q522I477-R516 PolarHBondContact O-NH2 3.09Å; D478-R516 IonicContact OD1-CZ 2.77Å; D478-R516 IonicContact OD1-NH1 3.66Å; D478-R516 PolarHBondContact OD1-NH1 3.49Å; D478-R516 IonicContact OD1-NH2 3.54Å; D478-R516 PolarHBondContact OD1-NH2 3.46Å; D500-R516 PolarHBondContact O-NH1 2.88Å; D500-R516 WeakPolarHBondContact OD2-CB 3.23Å; D500-R516 WeakPolarHBondContact OD2-CD 3.48Å; D500-R516 IonicContact OD2-NH1 3.32Å; P501-R516 WeakPolarHBondContact O-CA 3.46Å; C503-R516 VanDerWaalsContact SG-C 3.53Å; R516-S518 PolarHBondContact O-N 3.48Å; R516-G519 PolarHBondContact O-N 2.96Å; R516-I520 HydrophobicContact CB-CB 4.37Å; R516-I520 WeakPolarHBondContact CB-O 3.5Å; R516-I520 PolarHBondContact N-O 3.48Å; R516-Q522 VanDerWaalsContact NE-NE2 3.14Å
517E89.7Confident90.4Very high70 Ų7030.6 Ų30.633%0.32717%0.165SC..THydrogen-bonded Turntrans-61.7-30-179.2-74.1-164.4164.300113.8D500 P501 C503 G519 R540D500-E517 PolarHBondContact OD1-N 2.76Å; P501-E517 HydrophobicContact CG-CB 4.26Å; P501-E517 VanDerWaalsContact CG-CD 3.47Å; P501-E517 HydrophobicContact CG-CG 3.83Å; P501-E517 WeakPolarHBondContact CG-OE2 3.42Å; P501-E517 PolarHBondContact O-N 2.75Å; C503-E517 HydrophobicContact CB-CG 3.87Å; E517-G519 PolarHBondContact O-N 2.73Å; E517-R540 IonicContact OE1-CZ 2.79Å; E517-R540 IonicContact OE1-NH1 3.77Å; E517-R540 PolarHBondContact OE1-NH1 2.88Å; E517-R540 IonicContact OE1-NH2 2.77Å; E517-R540 PolarHBondContact OE1-NH2 2.88Å; E517-R540 IonicContact OE2-NH1 2.81Å
518S88.8Confident89.7Confident68 Ų6834 Ų3448%0.47618%0.181SC..THydrogen-bonded Turntrans-63.8-13.4173.265.10000114.6D500 R516 I520D500-S518 VanDerWaalsContact CG-CB 3.47Å; D500-S518 VanDerWaalsContact OD1-CB 3.24Å; D500-S518 WeakPolarHBondContact OD1-CB 3.28Å; D500-S518 PolarHBondContact OD1-N 3.48Å; D500-S518 PolarHBondContact OD1-OG 2.73Å; D500-S518 VanDerWaalsContact OD2-CB 3.27Å; D500-S518 WeakPolarHBondContact OD2-CB 3.36Å; D500-S518 PolarHBondContact OD2-OG 3.24Å; R516-S518 PolarHBondContact O-N 3.48Å; S518-I520 WeakPolarHBondContact OG-CD1 3.42Å; S518-I520 WeakPolarHBondContact OG-CG1 3.49Å; S518-I520 PolarHBondContact OG-N 3.19Å
519G86.5Confident89.4Confident3 Ų332.8 Ų32.83%0.03117%0.174CC..SBendtrans94.50.4-170.900000113.8R516 E517 S537R516-G519 PolarHBondContact O-N 2.96Å; E517-G519 PolarHBondContact O-N 2.73Å; G519-S537 VanDerWaalsContact O-CB 3.29Å; G519-S537 WeakPolarHBondContact O-CB 3.18Å; G519-S537 PolarHBondContact O-N 3.38Å
520I91.2Very high89.4Confident55 Ų5530.5 Ų30.528%0.28217%0.165SC..EExtended strand (participates in β ladder)trans-74.1133.9174.9-64.4169.3000110.4R516 S518 Q522 K534 Y535R516-I520 HydrophobicContact CB-CB 4.37Å; R516-I520 WeakPolarHBondContact CB-O 3.5Å; R516-I520 PolarHBondContact N-O 3.48Å; S518-I520 WeakPolarHBondContact OG-CD1 3.42Å; S518-I520 WeakPolarHBondContact OG-CG1 3.49Å; S518-I520 PolarHBondContact OG-N 3.19Å; I520-Q522 HydrophobicContact CG2-CG 4.09Å; I520-K534 HydrophobicContact CG2-CB 4.47Å; I520-Y535 CarbonylContact C-O 3.5Å; I520-Y535 WeakPolarHBondContact CA-O 3.49Å
521I92Very high89.3Confident2 Ų225.7 Ų25.71%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-116.2122.9175.8-59.9174.8000109I513 K534 Y535 L553 I555I513-I521 HydrophobicContact CG2-CG2 3.4Å; I521-K534 CarbonylContact O-C 3.52Å; I521-K534 WeakPolarHBondContact O-CA 3.38Å; I521-Y535 HydrophobicContact CG2-CD2 4.42Å; I521-Y535 PolarHBondContact N-O 3.24Å; I521-Y535 PolarHBondContact O-N 2.98Å; I521-L553 HydrophobicContact CD1-CD2 4.32Å; I521-L553 HydrophobicContact CG2-CD2 4.01Å; I521-I555 HydrophobicContact CD1-CD1 3.36Å; I521-I555 HydrophobicContact CD1-CG1 3.97Å
522Q92.1Very high89.1Confident3 Ų329.2 Ų29.21%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-108.3131.1-176.7-58.8-176.3-21.400110.8I513 V514 R516 I520 Y524 L531 K534I513-Q522 WeakPolarHBondContact CA-O 3.3Å; V514-Q522 PolarHBondContact N-O 3.28Å; V514-Q522 PolarHBondContact O-N 3.07Å; R516-Q522 VanDerWaalsContact NE-NE2 3.14Å; I520-Q522 HydrophobicContact CG2-CG 4.09Å; Q522-Y524 HydrophobicContact CB-CD2 4.41Å; Q522-Y524 HydrophobicContact CB-CE2 3.65Å; Q522-Y524 PolarHBondContact OE1-OH 3.06Å; Q522-L531 HydrophobicContact CB-CD1 4.02Å; Q522-K534 HydrophobicContact CG-CG 4.26Å
523R92.3Very high88.8Confident37 Ų3732.6 Ų32.614%0.1418%0.183CC..EExtended strand (participates in β ladder)trans-107.2119.4178.4179.9-179.7-179.3-1775.4111.4I513 V532 Q533 Y535 L567I513-R523 HydrophobicContact CD1-CB 3.66Å; I513-R523 HydrophobicContact CD1-CG 3.72Å; R523-V532 PolarHBondContact O-N 2.99Å; R523-Q533 PolarHBondContact N-O 3.29Å; R523-Y535 HydrophobicContact CB-CE2 4.12Å; R523-L567 PolarHBondContact NH1-O 3.23Å
524Y90.9Very high88.5Confident0 Ų037.6 Ų37.60%020%0.204CC..EExtended strand (participates in β ladder)trans-109.6148.3175.7-61.1-92.7000110.8F444 P481 T511 L512 V514 Q522 V529 A530 L531F444-Y524 HydrophobicContact CE1-CE2 4.43Å; F444-Y524 HydrophobicContact CZ-CE1 4.29Å; P481-Y524 HydrophobicContact CG-CD1 4.15Å; P481-Y524 HydrophobicContact CG-CE1 3.83Å; T511-Y524 CarbonylContact C-O 3.48Å; T511-Y524 VanDerWaalsContact CA-O 3.31Å; T511-Y524 WeakPolarHBondContact CA-O 3.39Å; L512-Y524 PolarHBondContact N-O 3.29Å; L512-Y524 PolarHBondContact O-N 3Å; V514-Y524 HydrophobicContact CB-CE2 4.25Å; V514-Y524 HydrophobicContact CG2-CD2 4.12Å; V514-Y524 HydrophobicContact CG2-CE2 3.92Å; Q522-Y524 HydrophobicContact CB-CD2 4.41Å; Q522-Y524 HydrophobicContact CB-CE2 3.65Å; Q522-Y524 PolarHBondContact OE1-OH 3.06Å; Y524-V529 HydrophobicContact CD1-CG1 3.99Å; Y524-V529 HydrophobicContact CG-CG1 4.36Å; Y524-A530 CarbonylContact C-O 3.46Å; Y524-A530 WeakPolarHBondContact CA-O 3.47Å; Y524-L531 HydrophobicContact CD1-CB 3.99Å; Y524-L531 HydrophobicContact CD1-CD1 4.16Å; Y524-L531 HydrophobicContact CD2-CD1 4.49Å; Y524-L531 HydrophobicContact CE1-CB 3.82Å; Y524-L531 HydrophobicContact CE1-CD1 3.79Å; Y524-L531 HydrophobicContact CE1-CG 4.34Å; Y524-L531 HydrophobicContact CE2-CD1 4.14Å; Y524-L531 HydrophobicContact CG-CD1 4.49Å
525T90.3Very high88.2Confident47 Ų4738 Ų3829%0.28821%0.206SC..EExtended strand (participates in β ladder)trans-85.1145.1171.446.60000111.3V529 A530 V532T525-V529 WeakPolarHBondContact O-CA 3.15Å; T525-V529 PolarHBondContact O-N 2.66Å; T525-A530 PolarHBondContact N-O 3.35Å; T525-A530 WeakPolarHBondContact OG1-CB 3.4Å; T525-A530 PolarHBondContact OG1-N 3.41Å; T525-A530 VanDerWaalsContact OG1-N 3.12Å; T525-A530 PolarHBondContact OG1-O 3.11Å; T525-A530 VanDerWaalsContact OG1-O 3.09Å; T525-V532 HydrophobicContact CG2-CG2 3.37Å
526L85.2Confident87.8Confident18 Ų1843.3 Ų43.39%0.09424%0.243CC..THydrogen-bonded Turntrans-113.1142.3169.2-70.8174000109.7L446 A507 T508 K510 L512 V529L446-L526 HydrophobicContact CD1-CD2 3.82Å; L446-L526 HydrophobicContact CD2-CD2 4.24Å; A507-L526 HydrophobicContact CB-CD1 4.44Å; T508-L526 WeakPolarHBondContact O-CD1 3.49Å; K510-L526 PolarHBondContact O-N 3.38Å; L512-L526 HydrophobicContact CB-CD1 4.1Å; L512-L526 HydrophobicContact CB-CD2 4.44Å; L512-L526 HydrophobicContact CB-CG 4.16Å; L526-V529 HydrophobicContact CD2-CG2 4.17Å
527P78.3Confident87.3Confident70 Ų7044.2 Ų44.246%0.45525%0.251SS..THydrogen-bonded Turncis-88.9-7.17.235-35.3000115.1V529P527-V529 VanDerWaalsContact C-N 3.3Å; P527-V529 PolarHBondContact O-N 3.03Å
528N79.9Confident86.7Confident85 Ų8549 Ų4946%0.45528%0.279SS..THydrogen-bonded Turntrans-76.7-13-168.8-67.4-10000114.7R473 A530R473-N528 PolarHBondContact NH1-O 3.07Å; N528-A530 VanDerWaalsContact C-N 3.27Å; N528-A530 PolarHBondContact O-N 3.47Å
529V84.9Confident86.3Confident0 Ų047.5 Ų47.50%027%0.268CS..  trans56.737-178-1580000112.4F444 L446 Y475 P481 Y524 T525 L526 P527F444-V529 HydrophobicContact CE2-CG1 3.72Å; F444-V529 HydrophobicContact CZ-CG1 3.76Å; L446-V529 HydrophobicContact CD2-CG2 3.89Å; Y475-V529 HydrophobicContact CD2-CB 4.47Å; Y475-V529 HydrophobicContact CD2-CG1 3.92Å; Y475-V529 HydrophobicContact CE2-CB 3.73Å; Y475-V529 HydrophobicContact CE2-CG1 3.67Å; Y475-V529 HydrophobicContact CE2-CG2 3.74Å; Y475-V529 HydrophobicContact CG-CG1 4.45Å; P481-V529 WeakPolarHBondContact CB-O 3.29Å; P481-V529 WeakPolarHBondContact CG-O 3.43Å; Y524-V529 HydrophobicContact CD1-CG1 3.99Å; Y524-V529 HydrophobicContact CG-CG1 4.36Å; T525-V529 WeakPolarHBondContact O-CA 3.15Å; T525-V529 PolarHBondContact O-N 2.66Å; L526-V529 HydrophobicContact CD2-CG2 4.17Å; P527-V529 VanDerWaalsContact C-N 3.3Å; P527-V529 PolarHBondContact O-N 3.03Å
530A86.3Confident86.3Confident22 Ų2251.9 Ų51.918%0.18228%0.284CS..  trans-80.9130.6172.900000110.1P481 Y524 T525 N528 V532P481-A530 WeakPolarHBondContact O-CA 3.43Å; Y524-A530 CarbonylContact C-O 3.46Å; Y524-A530 WeakPolarHBondContact CA-O 3.47Å; T525-A530 PolarHBondContact N-O 3.35Å; T525-A530 WeakPolarHBondContact OG1-CB 3.4Å; T525-A530 PolarHBondContact OG1-N 3.41Å; T525-A530 VanDerWaalsContact OG1-N 3.12Å; T525-A530 PolarHBondContact OG1-O 3.11Å; T525-A530 VanDerWaalsContact OG1-O 3.09Å; N528-A530 VanDerWaalsContact C-N 3.27Å; N528-A530 PolarHBondContact O-N 3.47Å; A530-V532 PolarHBondContact O-N 3.29Å
531L87.4Confident86.2Confident40 Ų4049.4 Ų49.421%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-70.3120.9175.4178.670.1000110.1N480 P481 Q522 Y524N480-L531 HydrophobicContact CB-CD2 4.44Å; N480-L531 WeakPolarHBondContact OD1-CD2 3.48Å; P481-L531 PolarHBondContact O-N 3.25Å; P481-L531 VanDerWaalsContact O-N 3.17Å; Q522-L531 HydrophobicContact CB-CD1 4.02Å; Y524-L531 HydrophobicContact CD1-CB 3.99Å; Y524-L531 HydrophobicContact CD1-CD1 4.16Å; Y524-L531 HydrophobicContact CD2-CD1 4.49Å; Y524-L531 HydrophobicContact CE1-CB 3.82Å; Y524-L531 HydrophobicContact CE1-CD1 3.79Å; Y524-L531 HydrophobicContact CE1-CG 4.34Å; Y524-L531 HydrophobicContact CE2-CD1 4.14Å; Y524-L531 HydrophobicContact CG-CD1 4.49Å
532V86.6Confident86Confident81 Ų8152.9 Ų52.949%0.49129%0.288SS..EExtended strand (participates in β ladder)trans-97.2-52.7-177.7-179.10000111.7R523 T525 A530R523-V532 PolarHBondContact O-N 2.99Å; T525-V532 HydrophobicContact CG2-CG2 3.37Å; A530-V532 PolarHBondContact O-N 3.29Å
533Q86.5Confident85.9Confident72 Ų7256.4 Ų56.434%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-152151.8-170.6-164.5160.8-0.200111.7R523 Y535R523-Q533 PolarHBondContact N-O 3.29Å; Q533-Y535 HydrophobicContact CB-CE2 4.22Å; Q533-Y535 HydrophobicContact CG-CE1 3.93Å; Q533-Y535 HydrophobicContact CG-CE2 4.27Å; Q533-Y535 PolarHBondContact OE1-OH 3.48Å; Q533-Y535 VanDerWaalsContact OE1-OH 3.13Å
534K89.1Confident86Confident104 Ų10455 Ų5545%0.45230%0.297SS..EExtended strand (participates in β ladder)trans-117134.7170.7-58-172.4-176.4-177.50108.7I520 I521 Q522I520-K534 HydrophobicContact CG2-CB 4.47Å; I521-K534 CarbonylContact O-C 3.52Å; I521-K534 WeakPolarHBondContact O-CA 3.38Å; Q522-K534 HydrophobicContact CG-CG 4.26Å
535Y87.6Confident86.1Confident10 Ų1055.7 Ų55.74%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-116.2154.4174.7-50.4-84000109I520 I521 R523 Q533 L565 L567I520-Y535 CarbonylContact C-O 3.5Å; I520-Y535 WeakPolarHBondContact CA-O 3.49Å; I521-Y535 HydrophobicContact CG2-CD2 4.42Å; I521-Y535 PolarHBondContact N-O 3.24Å; I521-Y535 PolarHBondContact O-N 2.98Å; R523-Y535 HydrophobicContact CB-CE2 4.12Å; Q533-Y535 HydrophobicContact CB-CE2 4.22Å; Q533-Y535 HydrophobicContact CG-CE1 3.93Å; Q533-Y535 HydrophobicContact CG-CE2 4.27Å; Q533-Y535 PolarHBondContact OE1-OH 3.48Å; Q533-Y535 VanDerWaalsContact OE1-OH 3.13Å; Y535-L565 HydrophobicContact CD1-CD2 4.1Å; Y535-L565 HydrophobicContact CD2-CD2 4.15Å; Y535-L565 HydrophobicContact CG-CD2 3.82Å; Y535-L567 HydrophobicContact CD2-CD2 4.3Å; Y535-L567 HydrophobicContact CE1-CD2 4.36Å; Y535-L567 HydrophobicContact CE2-CD2 3.59Å
536S85.5Confident86.2Confident110 Ų11054.1 Ų54.177%0.76929%0.291SS*.EExtended strand (participates in β ladder)trans-115128.5177.1-620000109.7
537S81.3Confident86.5Confident32 Ų3253.3 Ų53.322%0.22429%0.287CS..  trans-107.3150.6172-178.70000110.2G519 S539G519-S537 VanDerWaalsContact O-CB 3.29Å; G519-S537 WeakPolarHBondContact O-CB 3.18Å; G519-S537 PolarHBondContact O-N 3.38Å; S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 PolarHBondContact OG-O 2.99Å
538N77Confident87Confident171 Ų17152.8 Ų52.891%0.91428%0.284SS*.SBendtrans-73-15.6179.8-66.8-22.4000113.5
539S80.7Confident87.4Confident36 Ų3651.6 Ų51.625%0.25228%0.278SS..SBendtrans-143.3155-172.5-173.30000110.4S537 A541 D557S537-S539 PolarHBondContact O-N 2.97Å; S537-S539 PolarHBondContact OG-O 2.99Å; S539-A541 PolarHBondContact O-N 3.03Å; S539-D557 WeakPolarHBondContact CB-OD2 3.39Å; S539-D557 PolarHBondContact OG-OD2 3.47Å
540R87.7Confident87.6Confident94 Ų9451.8 Ų51.836%0.35528%0.279SS..  trans-63121.9175.7174.9-179.2170.7155.911.3109.8C503 E517 D557 I558C503-R540 HydrophobicContact CB-CG 4.49Å; E517-R540 IonicContact OE1-CZ 2.79Å; E517-R540 IonicContact OE1-NH1 3.77Å; E517-R540 PolarHBondContact OE1-NH1 2.88Å; E517-R540 IonicContact OE1-NH2 2.77Å; E517-R540 PolarHBondContact OE1-NH2 2.88Å; E517-R540 IonicContact OE2-NH1 2.81Å; R540-D557 WeakPolarHBondContact O-CA 3.32Å; R540-I558 HydrophobicContact CB-CG2 4.16Å; R540-I558 HydrophobicContact CG-CG2 3.98Å; R540-I558 PolarHBondContact O-N 2.9Å; R540-I558 VanDerWaalsContact O-N 3.08Å
541A89.3Confident87.7Confident3 Ų351.5 Ų51.53%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-69.1136.8173.900000110.8C503 S539 L544 I555C503-A541 PolarHBondContact SG-O 2.85Å; S539-A541 PolarHBondContact O-N 3.03Å; A541-L544 HydrophobicContact CB-CD2 4.06Å; A541-L544 HydrophobicContact CB-CG 4.45Å; A541-I555 HydrophobicContact CB-CG2 3.9Å
542H86.6Confident87.8Confident75 Ų7551 Ų5135%0.34727%0.271SS..EExtended strand (participates in β ladder)trans-105.8-40.3173.7178.951.7000111.5R303 I556 I558R303-H542 PolarHBondContact NH2-CD2 3.02Å; H542-I556 PolarHBondContact N-O 2.9Å; H542-I558 HydrophobicContact CB-CG2 4.32Å
543Y90.4Very high88Confident78 Ų7847.1 Ų47.131%0.30625%0.248SC..EExtended strand (participates in β ladder)trans-137.7139.9-179.8178.2-94.4000110.4I556 L597Y543-I556 HydrophobicContact CD1-CD1 3.72Å; Y543-I556 HydrophobicContact CD1-CG1 4.27Å; Y543-I556 HydrophobicContact CE1-CD1 4.43Å; Y543-I556 HydrophobicContact CG-CD1 4.41Å; Y543-I556 PolarHBondContact N-O 3.28Å; Y543-I556 PolarHBondContact O-N 2.95Å; Y543-L597 HydrophobicContact CE1-CB 4.37Å; Y543-L597 PolarHBondContact OH-O 3.35Å
544L93.9Very high88.3Confident7 Ų743.7 Ų43.74%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-130.2135.3-179-65.7178.8000109.9C504 T506 I513 A541 L553 A554 I555C504-L544 HydrophobicContact CB-CD1 4.4Å; C504-L544 HydrophobicContact CB-CG 4.43Å; C504-L544 WeakPolarHBondContact SG-CD1 3.46Å; C504-L544 VanDerWaalsContact SG-CG 3.59Å; T506-L544 WeakPolarHBondContact CB-O 3.49Å; T506-L544 HydrophobicContact CG2-CB 3.6Å; T506-L544 PolarHBondContact OG1-O 2.7Å; I513-L544 HydrophobicContact CG2-CD1 3.93Å; A541-L544 HydrophobicContact CB-CD2 4.06Å; A541-L544 HydrophobicContact CB-CG 4.45Å; L544-L553 HydrophobicContact CB-CD1 4.3Å; L544-L553 HydrophobicContact CD2-CD1 4.41Å; L544-L553 HydrophobicContact CD2-CD2 4.37Å; L544-A554 WeakPolarHBondContact CA-O 3.27Å; L544-I555 HydrophobicContact CD2-CB 4.05Å; L544-I555 HydrophobicContact CD2-CG1 3.67Å; L544-I555 HydrophobicContact CD2-CG2 3.91Å
545S93.9Very high88.5Confident15 Ų1539 Ų3911%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-141.3127.9173.6-168.80000111.8A554 W599S545-A554 PolarHBondContact N-O 3.49Å; S545-A554 PolarHBondContact O-N 3.06Å; S545-W599 PolarHBondContact O-NE1 2.72Å; S545-W599 VanDerWaalsContact O-NE1 3.07Å
546L92.6Very high88.7Confident14 Ų1438.7 Ų38.77%0.07321%0.211CC..EExtended strand (participates in β ladder)trans-88.7147.6172.8-73.9168.1000111.2T506 T508 I513 L553 L567 W599T506-L546 HydrophobicContact CG2-CD1 4.2Å; T506-L546 HydrophobicContact CG2-CG 4.03Å; T508-L546 HydrophobicContact CG2-CB 3.71Å; T508-L546 HydrophobicContact CG2-CD1 3.78Å; T508-L546 HydrophobicContact CG2-CG 4.41Å; I513-L546 HydrophobicContact CG1-CD1 3.79Å; I513-L546 HydrophobicContact CG1-CD2 4.09Å; I513-L546 HydrophobicContact CG1-CG 4.19Å; L546-L553 HydrophobicContact CD2-CB 4.11Å; L546-L553 HydrophobicContact CD2-CD1 3.75Å; L546-L553 HydrophobicContact CG-CD1 3.98Å; L546-L567 HydrophobicContact CD2-CD1 3.5Å; L546-W599 VanDerWaalsContact C-CD1 3.43Å
547N91.6Very high88.8Confident1 Ų134 Ų341%0.00518%0.177CC..  trans-76.8167.7169.270.7-11.9000112.1N549 S550 S551 R552 W599 P604N547-N549 PolarHBondContact ND2-OD1 3.4Å; N547-N549 PolarHBondContact O-N 3.17Å; N547-N549 VanDerWaalsContact O-N 3.12Å; N547-N549 PolarHBondContact OD1-OD1 3.09Å; N547-S550 PolarHBondContact O-N 2.88Å; N547-S550 WeakPolarHBondContact OD1-CA 3.39Å; N547-S550 PolarHBondContact OD1-N 2.84Å; N547-S550 VanDerWaalsContact OD1-N 3.1Å; N547-S551 PolarHBondContact ND2-OG 2.99Å; N547-S551 PolarHBondContact OD1-N 2.8Å; N547-R552 PolarHBondContact N-O 2.95Å; N547-R552 PolarHBondContact ND2-N 2.94Å; N547-R552 PolarHBondContact OD1-N 3.41Å; N547-R552 PolarHBondContact OD1-O 2.7Å; N547-W599 HydrophobicContact CB-CB 4.33Å; N547-W599 HydrophobicContact CB-CD2 3.48Å; N547-W599 VanDerWaalsContact CB-CD2 3.48Å; N547-W599 HydrophobicContact CB-CE3 3.55Å; N547-W599 HydrophobicContact CB-CG 3.82Å; N547-W599 HydrophobicContact CB-CH2 4.49Å; N547-W599 HydrophobicContact CB-CZ2 4.4Å; N547-W599 HydrophobicContact CB-CZ3 4.08Å; N547-P604 PolarHBondContact ND2-O 3.24Å
548C88.6Confident88.9Confident58 Ų5836.2 Ų36.239%0.39219%0.185SC..THydrogen-bonded Turntrans-59.4-28.6-17063.50000114.6N601 P604C548-N601 WeakPolarHBondContact CB-O 3.27Å; C548-P604 VanDerWaalsContact SG-CA 3.59Å; C548-P604 VanDerWaalsContact SG-N 3.43Å
549N88.8Confident89Confident61 Ų6131.9 Ų31.933%0.32617%0.168SC..THydrogen-bonded Turntrans-98.4-1.417769.2-1000114.1N547 S551 P604N547-N549 PolarHBondContact ND2-OD1 3.4Å; N547-N549 PolarHBondContact O-N 3.17Å; N547-N549 VanDerWaalsContact O-N 3.12Å; N547-N549 PolarHBondContact OD1-OD1 3.09Å; N549-S551 VanDerWaalsContact C-N 3.3Å; N549-S551 VanDerWaalsContact CG-OG 3.29Å; N549-S551 PolarHBondContact ND2-OG 3.29Å; N549-S551 PolarHBondContact O-N 2.72Å; N549-S551 VanDerWaalsContact OD1-CB 3.29Å; N549-S551 WeakPolarHBondContact OD1-CB 3.2Å; N549-S551 PolarHBondContact OD1-N 2.64Å; N549-S551 VanDerWaalsContact OD1-N 3.09Å; N549-S551 PolarHBondContact OD1-OG 2.99Å; N549-P604 WeakPolarHBondContact ND2-CB 3.04Å
550S89.2Confident89.2Confident4 Ų430.2 Ų30.23%0.02816%0.157CC..SBendtrans64.326.4-177.8-43.50000115.1T508 T511 N547T508-S550 WeakPolarHBondContact CB-OG 3.43Å; T508-S550 WeakPolarHBondContact CG2-OG 3.32Å; T508-S550 PolarHBondContact OG1-OG 2.89Å; T511-S550 WeakPolarHBondContact OG1-CB 3.36Å; T511-S550 PolarHBondContact OG1-OG 2.88Å; N547-S550 PolarHBondContact O-N 2.88Å; N547-S550 WeakPolarHBondContact OD1-CA 3.39Å; N547-S550 PolarHBondContact OD1-N 2.84Å; N547-S550 VanDerWaalsContact OD1-N 3.1Å
551S87.6Confident89.3Confident15 Ų1527.4 Ų27.411%0.10515%0.149CC..SBendtrans-88-27.7176.860.60000113.6N547 N549 L567N547-S551 PolarHBondContact ND2-OG 2.99Å; N547-S551 PolarHBondContact OD1-N 2.8Å; N549-S551 VanDerWaalsContact C-N 3.3Å; N549-S551 VanDerWaalsContact CG-OG 3.29Å; N549-S551 PolarHBondContact ND2-OG 3.29Å; N549-S551 PolarHBondContact O-N 2.72Å; N549-S551 VanDerWaalsContact OD1-CB 3.29Å; N549-S551 WeakPolarHBondContact OD1-CB 3.2Å; N549-S551 PolarHBondContact OD1-N 2.64Å; N549-S551 VanDerWaalsContact OD1-N 3.09Å; N549-S551 PolarHBondContact OD1-OG 2.99Å; S551-L567 WeakPolarHBondContact O-CB 3.47Å; S551-L567 PolarHBondContact O-N 3.05Å
552R89.5Confident89.4Confident30 Ų3027.3 Ų27.311%0.11315%0.148CC..EExtended strand (participates in β ladder)trans-128.1144.4179.7-54.8-162.8-174.615115.6111.4N547 L565 D566 W599 D605 N620N547-R552 PolarHBondContact N-O 2.95Å; N547-R552 PolarHBondContact ND2-N 2.94Å; N547-R552 PolarHBondContact OD1-N 3.41Å; N547-R552 PolarHBondContact OD1-O 2.7Å; R552-L565 WeakPolarHBondContact CA-O 3.26Å; R552-D566 VanDerWaalsContact CD-OD1 3.23Å; R552-D566 WeakPolarHBondContact CD-OD1 3.37Å; R552-D566 VanDerWaalsContact CG-OD1 3.25Å; R552-D566 WeakPolarHBondContact CG-OD1 3.05Å; R552-D566 IonicContact NE-OD1 2.65Å; R552-D566 PolarHBondContact NE-OD1 3.21Å; R552-W599 HydrophobicContact CB-CH2 4.09Å; R552-W599 HydrophobicContact CB-CZ2 4.27Å; R552-D605 IonicContact NH2-OD1 3.87Å; R552-N620 PolarHBondContact NH1-O 3.11Å; R552-N620 PolarHBondContact NH1-OD1 3.35Å; R552-N620 PolarHBondContact NH2-OD1 2.9Å
553L91.6Very high89.6Confident0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-117.9124.4175.3178.469.1000109.8T506 I513 I521 L544 L546 I555 L564 L565 L567T506-L553 HydrophobicContact CG2-CD1 4.08Å; I513-L553 HydrophobicContact CG2-CD1 4.44Å; I513-L553 HydrophobicContact CG2-CD2 4.06Å; I521-L553 HydrophobicContact CD1-CD2 4.32Å; I521-L553 HydrophobicContact CG2-CD2 4.01Å; L544-L553 HydrophobicContact CB-CD1 4.3Å; L544-L553 HydrophobicContact CD2-CD1 4.41Å; L544-L553 HydrophobicContact CD2-CD2 4.37Å; L546-L553 HydrophobicContact CD2-CB 4.11Å; L546-L553 HydrophobicContact CD2-CD1 3.75Å; L546-L553 HydrophobicContact CG-CD1 3.98Å; L553-I555 HydrophobicContact CD2-CD1 4.17Å; L553-I555 HydrophobicContact CD2-CG1 3.95Å; L553-I555 HydrophobicContact CG-CG1 3.98Å; L553-L564 WeakPolarHBondContact O-CA 3.25Å; L553-L565 HydrophobicContact CB-CB 4.32Å; L553-L565 HydrophobicContact CD2-CD2 4.26Å; L553-L565 PolarHBondContact N-O 2.91Å; L553-L565 PolarHBondContact O-N 3.29Å; L553-L567 HydrophobicContact CB-CD1 4.01Å; L553-L567 HydrophobicContact CB-CD2 4.28Å; L553-L567 HydrophobicContact CB-CG 4.14Å
554A92.8Very high89.5Confident0 Ų021.2 Ų21.20%012%0.124CC..EExtended strand (participates in β ladder)trans-88.7130.7167.400000110.1L544 S545 L562 L564 L597 W599L544-A554 WeakPolarHBondContact CA-O 3.27Å; S545-A554 PolarHBondContact N-O 3.49Å; S545-A554 PolarHBondContact O-N 3.06Å; A554-L562 HydrophobicContact CB-CD1 4.01Å; A554-L564 HydrophobicContact CB-CD2 3.7Å; A554-L597 HydrophobicContact CB-CD1 3.71Å; A554-L597 HydrophobicContact CB-CD2 3.71Å; A554-L597 HydrophobicContact CB-CG 4.37Å; A554-W599 HydrophobicContact CB-CZ2 4.05Å
555I92.8Very high89.3Confident6 Ų621.4 Ų21.43%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-122.5118.2179.8-54.5161.6000108.1I521 A541 L544 L553 L562 T563 L565I521-I555 HydrophobicContact CD1-CD1 3.36Å; I521-I555 HydrophobicContact CD1-CG1 3.97Å; A541-I555 HydrophobicContact CB-CG2 3.9Å; L544-I555 HydrophobicContact CD2-CB 4.05Å; L544-I555 HydrophobicContact CD2-CG1 3.67Å; L544-I555 HydrophobicContact CD2-CG2 3.91Å; L553-I555 HydrophobicContact CD2-CD1 4.17Å; L553-I555 HydrophobicContact CD2-CG1 3.95Å; L553-I555 HydrophobicContact CG-CG1 3.98Å; I555-L562 CarbonylContact O-C 3.59Å; I555-L562 WeakPolarHBondContact O-CA 3.42Å; I555-T563 PolarHBondContact N-O 2.97Å; I555-T563 PolarHBondContact O-N 3.49Å; I555-T563 PolarHBondContact O-OG1 3.02Å; I555-L565 HydrophobicContact CD1-CB 4.04Å; I555-L565 HydrophobicContact CD1-CD2 4.28Å
556I91.7Very high88.8Confident3 Ų323.4 Ų23.42%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-105.1122.9168.4-54.8172.4000107.6H542 Y543 L561 L562 V594 L597H542-I556 PolarHBondContact N-O 2.9Å; Y543-I556 HydrophobicContact CD1-CD1 3.72Å; Y543-I556 HydrophobicContact CD1-CG1 4.27Å; Y543-I556 HydrophobicContact CE1-CD1 4.43Å; Y543-I556 HydrophobicContact CG-CD1 4.41Å; Y543-I556 PolarHBondContact N-O 3.28Å; Y543-I556 PolarHBondContact O-N 2.95Å; I556-L561 WeakPolarHBondContact CA-O 3.47Å; I556-L562 HydrophobicContact CG1-CB 4.34Å; I556-L562 HydrophobicContact CG1-CD1 3.86Å; I556-V594 HydrophobicContact CD1-CG1 3.77Å; I556-V594 HydrophobicContact CG1-CG1 4.31Å; I556-L597 HydrophobicContact CD1-CB 4.31Å
557D88.2Confident88.3Confident12 Ų1222.9 Ų22.96%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-84.3177.5-179.785.1-10.4000113.3S539 R540 S559 G560 L561S539-D557 WeakPolarHBondContact CB-OD2 3.39Å; S539-D557 PolarHBondContact OG-OD2 3.47Å; R540-D557 WeakPolarHBondContact O-CA 3.32Å; D557-S559 VanDerWaalsContact CG-OG 3.24Å; D557-S559 PolarHBondContact O-N 3.39Å; D557-S559 VanDerWaalsContact OD1-CA 3.29Å; D557-S559 WeakPolarHBondContact OD1-CA 3.38Å; D557-S559 WeakPolarHBondContact OD1-CB 3.42Å; D557-S559 PolarHBondContact OD1-N 3.29Å; D557-S559 PolarHBondContact OD1-OG 2.93Å; D557-S559 PolarHBondContact OD2-OG 3.29Å; D557-G560 PolarHBondContact O-N 2.95Å; D557-G560 VanDerWaalsContact O-N 3.13Å; D557-G560 PolarHBondContact OD1-N 2.95Å; D557-L561 PolarHBondContact N-O 3.3Å; D557-L561 WeakPolarHBondContact OD1-CB 3.43Å; D557-L561 PolarHBondContact OD1-N 3.42Å
558I82.4Confident87.3Confident78 Ų7828.4 Ų28.440%0.416%0.158SC..THydrogen-bonded Turntrans-63.6-17.6177.257.8166.6000114.4R303 R540 H542R303-I558 PolarHBondContact NH1-O 3.49Å; R303-I558 VanDerWaalsContact NH1-O 3.12Å; R303-I558 PolarHBondContact NH2-O 3.36Å; R540-I558 HydrophobicContact CB-CG2 4.16Å; R540-I558 HydrophobicContact CG-CG2 3.98Å; R540-I558 PolarHBondContact O-N 2.9Å; R540-I558 VanDerWaalsContact O-N 3.08Å; H542-I558 HydrophobicContact CB-CG2 4.32Å
559S79.8Confident85.7Confident80 Ų8030.9 Ų30.956%0.55917%0.171SC*.THydrogen-bonded Turntrans-89.7-8.5177.380.20000113.1D557D557-S559 VanDerWaalsContact CG-OG 3.24Å; D557-S559 PolarHBondContact O-N 3.39Å; D557-S559 VanDerWaalsContact OD1-CA 3.29Å; D557-S559 WeakPolarHBondContact OD1-CA 3.38Å; D557-S559 WeakPolarHBondContact OD1-CB 3.42Å; D557-S559 PolarHBondContact OD1-N 3.29Å; D557-S559 PolarHBondContact OD1-OG 2.93Å; D557-S559 PolarHBondContact OD2-OG 3.29Å
560G83.8Confident83.8Confident1 Ų137.4 Ų37.41%0.0119%0.19CC..  trans8420.7-174.800000113.5D557 K592 D593 V594D557-G560 PolarHBondContact O-N 2.95Å; D557-G560 VanDerWaalsContact O-N 3.13Å; D557-G560 PolarHBondContact OD1-N 2.95Å; G560-K592 CarbonylContact O-C 3.59Å; G560-D593 PolarHBondContact O-N 3.45Å; G560-V594 PolarHBondContact O-N 3.15Å
561L89.4Confident81.5Confident35 Ų3542 Ų4218%0.18322%0.221CC..  trans-84.8116.9171.6-174.272.7000109.3I556 D557 T563 E590 R591 K592I556-L561 WeakPolarHBondContact CA-O 3.47Å; D557-L561 PolarHBondContact N-O 3.3Å; D557-L561 WeakPolarHBondContact OD1-CB 3.43Å; D557-L561 PolarHBondContact OD1-N 3.42Å; L561-T563 HydrophobicContact CD2-CG2 4.25Å; L561-T563 HydrophobicContact CG-CG2 4.3Å; L561-E590 HydrophobicContact CD1-CB 4.16Å; L561-R591 CarbonylContact C-O 3.52Å; L561-R591 WeakPolarHBondContact CA-O 3.45Å; L561-K592 HydrophobicContact CD1-CG 3.71Å
562L91.6Very high79Confident0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-86128.1170.1171.265.3000109.8A554 I555 I556 L564 F589 E590 R591 V594 L597 V609A554-L562 HydrophobicContact CB-CD1 4.01Å; I555-L562 CarbonylContact O-C 3.59Å; I555-L562 WeakPolarHBondContact O-CA 3.42Å; I556-L562 HydrophobicContact CG1-CB 4.34Å; I556-L562 HydrophobicContact CG1-CD1 3.86Å; L562-L564 HydrophobicContact CD1-CD2 4.44Å; L562-F589 HydrophobicContact CD2-CE1 3.94Å; L562-F589 HydrophobicContact CG-CE1 4.37Å; L562-E590 WeakPolarHBondContact O-CA 3.47Å; L562-R591 HydrophobicContact CB-CB 4.28Å; L562-R591 HydrophobicContact CD2-CB 4.5Å; L562-R591 PolarHBondContact N-O 3.43Å; L562-R591 PolarHBondContact O-N 2.96Å; L562-V594 HydrophobicContact CB-CB 3.97Å; L562-V594 HydrophobicContact CB-CG1 4.14Å; L562-V594 HydrophobicContact CB-CG2 3.82Å; L562-V594 HydrophobicContact CD2-CG1 4.28Å; L562-V594 HydrophobicContact CD2-CG2 4.31Å; L562-L597 HydrophobicContact CD1-CD1 3.59Å; L562-L597 HydrophobicContact CD2-CD1 3.64Å; L562-L597 HydrophobicContact CG-CD1 4.28Å; L562-V609 HydrophobicContact CD2-CG1 3.89Å; L562-V609 HydrophobicContact CD2-CG2 3.93Å
563T90.8Very high76.8Confident22 Ų2250.1 Ų50.114%0.13529%0.29CS..EExtended strand (participates in β ladder)trans-127.7149.3170.555.80000109.6I555 L561 E590I555-T563 PolarHBondContact N-O 2.97Å; I555-T563 PolarHBondContact O-N 3.49Å; I555-T563 PolarHBondContact O-OG1 3.02Å; L561-T563 HydrophobicContact CD2-CG2 4.25Å; L561-T563 HydrophobicContact CG-CG2 4.3Å; T563-E590 HydrophobicContact CG2-CG 4.24Å
564L89.9Confident74.2Confident3 Ų354.3 Ų54.32%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-108.9137.9172.2-55.8175.1000110.1L553 A554 L562 S587 F589 W599 F607 L621L553-L564 WeakPolarHBondContact O-CA 3.25Å; A554-L564 HydrophobicContact CB-CD2 3.7Å; L562-L564 HydrophobicContact CD1-CD2 4.44Å; L564-S587 WeakPolarHBondContact CB-OG 3.42Å; L564-S587 VanDerWaalsContact O-CB 3.3Å; L564-S587 WeakPolarHBondContact O-CB 3.5Å; L564-S587 PolarHBondContact O-N 2.86Å; L564-S587 PolarHBondContact O-OG 2.89Å; L564-F589 HydrophobicContact CD1-CD1 3.77Å; L564-F589 HydrophobicContact CD1-CE1 4.17Å; L564-F589 HydrophobicContact CD1-CG 4.18Å; L564-F589 HydrophobicContact CG-CD1 3.79Å; L564-F589 HydrophobicContact CG-CE1 4.3Å; L564-W599 HydrophobicContact CD2-CH2 4.13Å; L564-W599 HydrophobicContact CD2-CZ2 3.86Å; L564-F607 HydrophobicContact CD1-CE1 4.21Å; L564-F607 HydrophobicContact CD1-CZ 3.88Å; L564-L621 HydrophobicContact CD1-CD2 3.9Å
565L88Confident71.9Confident11 Ų1164.1 Ų64.16%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-119.9123.1178.4-175.473.8000109.4Y535 R552 L553 I555 L567 G584Y535-L565 HydrophobicContact CD1-CD2 4.1Å; Y535-L565 HydrophobicContact CD2-CD2 4.15Å; Y535-L565 HydrophobicContact CG-CD2 3.82Å; R552-L565 WeakPolarHBondContact CA-O 3.26Å; L553-L565 HydrophobicContact CB-CB 4.32Å; L553-L565 HydrophobicContact CD2-CD2 4.26Å; L553-L565 PolarHBondContact N-O 2.91Å; L553-L565 PolarHBondContact O-N 3.29Å; I555-L565 HydrophobicContact CD1-CB 4.04Å; I555-L565 HydrophobicContact CD1-CD2 4.28Å; L565-L567 HydrophobicContact CD2-CD2 3.97Å; L565-L567 HydrophobicContact CG-CD2 4.37Å; L565-G584 WeakPolarHBondContact CD1-O 3.18Å
566D85.1Confident69.3Low57 Ų5767 Ų6731%0.30540%0.396SS..EExtended strand (participates in β ladder)trans-82123.7174.3-72.4-34.2000110.2R552 G584R552-D566 VanDerWaalsContact CD-OD1 3.23Å; R552-D566 WeakPolarHBondContact CD-OD1 3.37Å; R552-D566 VanDerWaalsContact CG-OD1 3.25Å; R552-D566 WeakPolarHBondContact CG-OD1 3.05Å; R552-D566 IonicContact NE-OD1 2.65Å; R552-D566 PolarHBondContact NE-OD1 3.21Å; D566-G584 PolarHBondContact O-N 2.85Å
567L81.6Confident66.9Low4 Ų474.1 Ų74.12%0.02144%0.44CS..  trans-97.2-9-174.7-61.8-179.9000113.7I513 R523 Y535 L546 S551 L553 L565I513-L567 HydrophobicContact CD1-CD1 4.38Å; R523-L567 PolarHBondContact NH1-O 3.23Å; Y535-L567 HydrophobicContact CD2-CD2 4.3Å; Y535-L567 HydrophobicContact CE1-CD2 4.36Å; Y535-L567 HydrophobicContact CE2-CD2 3.59Å; L546-L567 HydrophobicContact CD2-CD1 3.5Å; S551-L567 WeakPolarHBondContact O-CB 3.47Å; S551-L567 PolarHBondContact O-N 3.05Å; L553-L567 HydrophobicContact CB-CD1 4.01Å; L553-L567 HydrophobicContact CB-CD2 4.28Å; L553-L567 HydrophobicContact CB-CG 4.14Å; L565-L567 HydrophobicContact CD2-CD2 3.97Å; L565-L567 HydrophobicContact CG-CD2 4.37Å
568E70.8Confident64.6Low117 Ų11776.8 Ų76.855%0.54747%0.471SS..SBendtrans-111.2136.4178.5-71.4-172.2168.800111.5
569V53.6Low62.4Low110 Ų11080 Ų8067%0.66749%0.489SS*.PPolyproline II helixtrans-78.1116.4168.4-177.60000107.4A583V569-A583 HydrophobicContact CB-CB 4.29Å; V569-A583 HydrophobicContact CG2-CB 3.29Å
570R50.4Low60.5Low197 Ų19785.9 Ų85.974%0.74351%0.507SS*.PPolyproline II helixtrans-60.9127.7168.2-78.6-178178.2163.7-0.2108.8
571P40.2Very low58.6Low102 Ų10289.4 Ų89.466%0.66254%0.536SS*.PPolyproline II helixtrans-62.1143.4178.423.5-30.8000110.3G573P571-G573 PolarHBondContact O-N 3.15Å
572P36.3Very low56.5Low140 Ų14090.8 Ų90.891%0.90955%0.553SS**THydrogen-bonded Turntrans-69.3100179.927.8-31.3000108.9
573G42.2Very low54.4Low74 Ų7492 Ų9276%0.76356%0.562SS**THydrogen-bonded Turntrans168-11.6179.100000117.2P571 E575P571-G573 PolarHBondContact O-N 3.15Å; G573-E575 PolarHBondContact O-N 3.31Å
574S37.8Very low52.6Low88 Ų8892 Ų9262%0.61557%0.567SS**  trans-83.7109.1172.460.90000110.2G576S574-G576 PolarHBondContact O-N 2.89Å; S574-G576 VanDerWaalsContact O-N 3.13Å
575E44Very low51.2Low206 Ų20695.7 Ų95.796%0.96359%0.587SS**  trans-55.9111.3177.5-67.6-176.8154.800111.4G573G573-E575 PolarHBondContact O-N 3.31Å
576G38.3Very low49.9Very low66 Ų6699.2 Ų99.268%0.6861%0.61SS**  trans-166.2103.1172.500000108.4S574 G578S574-G576 PolarHBondContact O-N 2.89Å; S574-G576 VanDerWaalsContact O-N 3.13Å; G576-G578 PolarHBondContact O-N 2.83Å
577T41.7Very low48.7Very low154 Ų15497.7 Ų97.795%0.94560%0.604SS**  trans-68.3108.1177.745.70000110.4
578G38.1Very low48Very low68 Ų68107 Ų10770%0.70165%0.645SS**SBendtrans157.1116.817000000111.9G576G576-G578 PolarHBondContact O-N 2.83Å
579D37.7Very low48.5Very low146 Ų146102.3 Ų102.378%0.78162%0.622SS**  trans21.5104.5172.4-75.8-15.9000117.8A581D579-A581 PolarHBondContact O-N 2.78Å; D579-A581 VanDerWaalsContact O-N 3.08Å
580Q38.9Very low50.1Low202 Ų202102.8 Ų102.894%0.94462%0.617SS**  trans-65.8101.7171.9-65.5176.9-0.800110.5
581A43.4Very low52Low76 Ų7696.3 Ų96.363%0.62859%0.593SS**PPolyproline II helixtrans-73.1126.5167.900000109.8D579 D585D579-A581 PolarHBondContact O-N 2.78Å; D579-A581 VanDerWaalsContact O-N 3.08Å; A581-D585 HydrophobicContact CB-CB 4.46Å
582A45.7Very low54.4Low63 Ų6398.4 Ų98.452%0.52159%0.592SS.*PPolyproline II helixtrans-75.3152.1176.200000110.2G584 D585A582-G584 PolarHBondContact O-N 3.5Å; A582-D585 PolarHBondContact N-OD2 2.86Å; A582-D585 WeakPolarHBondContact O-CB 3.4Å; A582-D585 PolarHBondContact O-N 2.89Å
583A48.2Very low56.8Low25 Ų2594.2 Ų94.221%0.20756%0.561CS.*THydrogen-bonded Turntrans-59.8126.5174.400000110.6V569V569-A583 HydrophobicContact CB-CB 4.29Å; V569-A583 HydrophobicContact CG2-CB 3.29Å
584G53.8Low59.1Low23 Ų2390.7 Ų90.724%0.23753%0.525CS..THydrogen-bonded Turntrans95.11-172.800000115.4L565 D566 A582L565-G584 WeakPolarHBondContact CD1-O 3.18Å; D566-G584 PolarHBondContact O-N 2.85Å; A582-G584 PolarHBondContact O-N 3.5Å
585D58.8Low61.5Low81 Ų8188.1 Ų88.143%0.43350%0.502SS..PPolyproline II helixtrans-71.7127.2167.1-86.7-30.5000109.9A581 A582 S587A581-D585 HydrophobicContact CB-CB 4.46Å; A582-D585 PolarHBondContact N-OD2 2.86Å; A582-D585 WeakPolarHBondContact O-CB 3.4Å; A582-D585 PolarHBondContact O-N 2.89Å; D585-S587 PolarHBondContact O-N 3.4Å
586P60.9Low63.8Low84 Ų8479.3 Ų79.355%0.54546%0.461SS..EExtended strand (participates in β ladder)trans-60.3125168.324.7-30.1000108.1
587S61.1Low66.4Low25 Ų2576.1 Ų76.118%0.17543%0.429CS..EExtended strand (participates in β ladder)trans-55.1154175.366.80000110.1L564 D585 F589L564-S587 WeakPolarHBondContact CB-OG 3.42Å; L564-S587 VanDerWaalsContact O-CB 3.3Å; L564-S587 WeakPolarHBondContact O-CB 3.5Å; L564-S587 PolarHBondContact O-N 2.86Å; L564-S587 PolarHBondContact O-OG 2.89Å; D585-S587 PolarHBondContact O-N 3.4Å; S587-F589 PolarHBondContact O-N 2.84Å; S587-F589 WeakPolarHBondContact OG-CB 3.48Å; S587-F589 PolarHBondContact OG-N 3.05Å
588K66.1Low68.9Low200 Ų20072.1 Ų72.187%0.8740%0.398SS*.EExtended strand (participates in β ladder)trans-63.74173.3-64-179.4-177.9173.60113.4
589F81.9Confident71.6Confident19 Ų1969.2 Ų69.28%0.08337%0.366CS..EExtended strand (participates in β ladder)trans-91115.4-175.8-176.7-91.2000110.9L562 L564 S587 R591 F607 F618 L621L562-F589 HydrophobicContact CD2-CE1 3.94Å; L562-F589 HydrophobicContact CG-CE1 4.37Å; L564-F589 HydrophobicContact CD1-CD1 3.77Å; L564-F589 HydrophobicContact CD1-CE1 4.17Å; L564-F589 HydrophobicContact CD1-CG 4.18Å; L564-F589 HydrophobicContact CG-CD1 3.79Å; L564-F589 HydrophobicContact CG-CE1 4.3Å; S587-F589 PolarHBondContact O-N 2.84Å; S587-F589 WeakPolarHBondContact OG-CB 3.48Å; S587-F589 PolarHBondContact OG-N 3.05Å; F589-R591 HydrophobicContact CE1-CG 3.89Å; F589-R591 HydrophobicContact CE2-CG 4.43Å; F589-R591 HydrophobicContact CZ-CG 3.73Å; F589-F607 HydrophobicContact CE1-CE2 4.37Å; F589-F607 HydrophobicContact CE1-CZ 4.28Å; F589-F607 HydrophobicContact CZ-CE2 4.26Å; F589-F607 HydrophobicContact CZ-CZ 4.06Å; F589-F618 AromaticContact CE2-CD1 3.85Å; F589-F618 HydrophobicContact CE2-CD1 3.85Å; F589-F618 AromaticContact CE2-CE1 3.46Å; F589-F618 HydrophobicContact CE2-CE1 3.46Å; F589-F618 VanDerWaalsContact CE2-CE1 3.46Å; F589-F618 AromaticContact CE2-CZ 3.97Å; F589-F618 HydrophobicContact CE2-CZ 3.97Å; F589-F618 HydrophobicContact CZ-CD1 4Å; F589-F618 HydrophobicContact CZ-CD2 4.44Å; F589-F618 AromaticContact CZ-CE1 3.63Å; F589-F618 HydrophobicContact CZ-CE1 3.63Å; F589-F618 HydrophobicContact CZ-CE2 4.09Å; F589-F618 HydrophobicContact CZ-CG 4.39Å; F589-F618 AromaticContact CZ-CZ 3.68Å; F589-F618 HydrophobicContact CZ-CZ 3.68Å; F589-L621 HydrophobicContact CB-CD2 3.78Å; F589-L621 HydrophobicContact CD2-CB 4.43Å; F589-L621 HydrophobicContact CD2-CD2 3.66Å; F589-L621 HydrophobicContact CE2-CD2 4.39Å; F589-L621 HydrophobicContact CG-CD2 3.8Å
590E87.1Confident74.2Confident120 Ų12062.3 Ų62.356%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans-132.4134.1176.6-64.5-168.2166.200110.8L561 L562 T563L561-E590 HydrophobicContact CD1-CB 4.16Å; L562-E590 WeakPolarHBondContact O-CA 3.47Å; T563-E590 HydrophobicContact CG2-CG 4.24Å
591R89.5Confident76.7Confident60 Ų6056.4 Ų56.423%0.22631%0.305CS..EExtended strand (participates in β ladder)trans-132.2135.1171.7-65.1-67.9-71-150.1-7.7110.1L561 L562 F589 V594 E611L561-R591 CarbonylContact C-O 3.52Å; L561-R591 WeakPolarHBondContact CA-O 3.45Å; L562-R591 HydrophobicContact CB-CB 4.28Å; L562-R591 HydrophobicContact CD2-CB 4.5Å; L562-R591 PolarHBondContact N-O 3.43Å; L562-R591 PolarHBondContact O-N 2.96Å; F589-R591 HydrophobicContact CE1-CG 3.89Å; F589-R591 HydrophobicContact CE2-CG 4.43Å; F589-R591 HydrophobicContact CZ-CG 3.73Å; R591-V594 HydrophobicContact CB-CG2 3.67Å; R591-E611 IonicContact CZ-OE2 3.67Å; R591-E611 IonicContact NE-OE2 2.74Å; R591-E611 PolarHBondContact NE-OE2 3.02Å; R591-E611 IonicContact NH2-OE1 3.87Å; R591-E611 IonicContact NH2-OE2 2.72Å; R591-E611 PolarHBondContact NH2-OE2 2.73Å
592K89.9Confident78.9Confident146 Ų14655.6 Ų55.664%0.63529%0.29SS*.SBendtrans-97.5160.5179.4-67-180-179.11790110.4G560 L561 V594 E611G560-K592 CarbonylContact O-C 3.59Å; L561-K592 HydrophobicContact CD1-CG 3.71Å; K592-V594 PolarHBondContact O-N 2.85Å; K592-E611 WeakPolarHBondContact O-CG 3.46Å
593D87.2Confident80.9Confident52 Ų5254.5 Ų54.528%0.27828%0.275SS..SBendtrans59.630.5177.1-54.1-42.8000113.6F2 G560 E611 K612F2-D593 HydrophobicContact CZ-CB 4.01Å; F2-D593 VanDerWaalsContact CZ-O 3.27Å; F2-D593 WeakPolarHBondContact CZ-O 3.39Å; G560-D593 PolarHBondContact O-N 3.45Å; D593-E611 HydrophobicContact CB-CG 4.45Å; D593-K612 HydrophobicContact CB-CD 4.47Å; D593-K612 HydrophobicContact CB-CG 3.99Å; D593-K612 VanDerWaalsContact CG-CE 3.48Å; D593-K612 PolarHBondContact O-N 2.74Å; D593-K612 WeakPolarHBondContact OD2-CE 3.3Å; D593-K612 IonicContact OD2-NZ 2.78Å; D593-K612 PolarHBondContact OD2-NZ 3.02Å
594V90.6Very high82.8Confident0 Ų054.8 Ų54.80%028%0.275CS..EExtended strand (participates in β ladder)trans-87.6135.2175.9179.70000109.7I556 G560 L562 R591 K592 V609 M610I556-V594 HydrophobicContact CD1-CG1 3.77Å; I556-V594 HydrophobicContact CG1-CG1 4.31Å; G560-V594 PolarHBondContact O-N 3.15Å; L562-V594 HydrophobicContact CB-CB 3.97Å; L562-V594 HydrophobicContact CB-CG1 4.14Å; L562-V594 HydrophobicContact CB-CG2 3.82Å; L562-V594 HydrophobicContact CD2-CG1 4.28Å; L562-V594 HydrophobicContact CD2-CG2 4.31Å; R591-V594 HydrophobicContact CB-CG2 3.67Å; K592-V594 PolarHBondContact O-N 2.85Å; V594-V609 HydrophobicContact CB-CG1 4.2Å; V594-V609 HydrophobicContact CG1-CG1 3.38Å; V594-V609 HydrophobicContact CG2-CG1 3.71Å; V594-M610 WeakPolarHBondContact CA-O 3.23Å
595W89.6Confident84.4Confident35 Ų3556.1 Ų56.113%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-128.3-17.6-177.865.6-93.7000115.2F2 M610 K612 Y632F2-W595 HydrophobicContact CB-CB 3.61Å; F2-W595 HydrophobicContact CB-CG 4.41Å; F2-W595 HydrophobicContact CD1-CB 3.47Å; F2-W595 VanDerWaalsContact CD1-CB 3.47Å; F2-W595 AromaticContact CD1-CD1 3.74Å; F2-W595 AromaticContact CD1-CG 3.73Å; F2-W595 HydrophobicContact CD1-CG 3.73Å; F2-W595 HydrophobicContact CD2-CB 3.68Å; F2-W595 HydrophobicContact CE1-CB 3.97Å; F2-W595 AromaticContact CE1-CD1 3.71Å; F2-W595 HydrophobicContact CE1-CG 4.12Å; F2-W595 HydrophobicContact CE2-CB 4.18Å; F2-W595 HydrophobicContact CG-CB 3.31Å; F2-W595 HydrophobicContact CG-CG 4.08Å; F2-W595 HydrophobicContact CZ-CB 4.31Å; W595-M610 HydrophobicContact CD2-CB 4Å; W595-M610 VanDerWaalsContact CE2-CB 3.45Å; W595-M610 HydrophobicContact CG-CB 4.39Å; W595-M610 HydrophobicContact CH2-CB 4.28Å; W595-M610 HydrophobicContact CH2-CE 4.49Å; W595-M610 HydrophobicContact CH2-CG 4.14Å; W595-M610 HydrophobicContact CZ2-CB 3.63Å; W595-M610 HydrophobicContact CZ2-CE 3.74Å; W595-M610 HydrophobicContact CZ2-CG 3.83Å; W595-M610 PolarHBondContact N-O 2.81Å; W595-M610 VanDerWaalsContact N-O 3.07Å; W595-K612 PolarHBondContact NE1-O 2.85Å; W595-K612 VanDerWaalsContact NE1-O 3.08Å; W595-Y632 HydrophobicContact CH2-CD1 4.06Å; W595-Y632 HydrophobicContact CH2-CE1 4.2Å; W595-Y632 HydrophobicContact CH2-CG 4.22Å; W595-Y632 AromaticContact CZ3-CD1 3.64Å; W595-Y632 HydrophobicContact CZ3-CD1 3.64Å; W595-Y632 AromaticContact CZ3-CE1 3.65Å; W595-Y632 HydrophobicContact CZ3-CE1 3.65Å; W595-Y632 HydrophobicContact CZ3-CG 4.26Å
596D91.1Very high85.9Confident20 Ų2052.2 Ų52.211%0.10726%0.256CS..EExtended strand (participates in β ladder)trans-146.4148.9174.8-172.217000110M610 I633D596-M610 HydrophobicContact CB-CB 3.94Å; D596-M610 HydrophobicContact CB-CG 3.92Å; D596-M610 PolarHBondContact O-N 3.33Å; D596-I633 PolarHBondContact OD2-N 2.98Å
597L93.6Very high87.5Confident0 Ų048.2 Ų48.20%023%0.23CC..EExtended strand (participates in β ladder)trans-150.6135.3178.5-179.3150.3000110.3Y543 A554 I556 L562 W599 F607 A608 V609Y543-L597 HydrophobicContact CE1-CB 4.37Å; Y543-L597 PolarHBondContact OH-O 3.35Å; A554-L597 HydrophobicContact CB-CD1 3.71Å; A554-L597 HydrophobicContact CB-CD2 3.71Å; A554-L597 HydrophobicContact CB-CG 4.37Å; I556-L597 HydrophobicContact CD1-CB 4.31Å; L562-L597 HydrophobicContact CD1-CD1 3.59Å; L562-L597 HydrophobicContact CD2-CD1 3.64Å; L562-L597 HydrophobicContact CG-CD1 4.28Å; L597-W599 HydrophobicContact CD2-CG 4.42Å; L597-F607 HydrophobicContact CD1-CD2 4.01Å; L597-F607 HydrophobicContact CD1-CE2 4.43Å; L597-F607 HydrophobicContact CG-CD2 4.44Å; L597-A608 WeakPolarHBondContact CA-O 3.44Å; L597-V609 HydrophobicContact CD1-CG2 3.89Å; L597-V609 HydrophobicContact CG-CG2 4.32Å
598K93.9Very high89.1Confident69 Ų6947 Ų4730%0.322%0.221SC..EExtended strand (participates in β ladder)trans-134.3125.1173.8-161.677179.7-174.10110.9F607 A608 I633 F636K598-F607 CarbonylContact O-C 3.53Å; K598-F607 WeakPolarHBondContact O-CA 3.44Å; K598-A608 PolarHBondContact N-O 2.72Å; K598-A608 PolarHBondContact O-N 2.91Å; K598-I633 HydrophobicContact CB-CB 4.22Å; K598-I633 HydrophobicContact CB-CD1 4.43Å; K598-I633 HydrophobicContact CB-CG2 3.6Å; K598-I633 HydrophobicContact CG-CG2 4.01Å; K598-F636 HydrophobicContact CG-CB 4.42Å
599W94.4Very high90.4Very high7 Ų737.5 Ų37.53%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-74.2151.9167.3-65.396.1000110.8S545 L546 N547 R552 A554 L564 L597 P604 F607S545-W599 PolarHBondContact O-NE1 2.72Å; S545-W599 VanDerWaalsContact O-NE1 3.07Å; L546-W599 VanDerWaalsContact C-CD1 3.43Å; N547-W599 HydrophobicContact CB-CB 4.33Å; N547-W599 HydrophobicContact CB-CD2 3.48Å; N547-W599 VanDerWaalsContact CB-CD2 3.48Å; N547-W599 HydrophobicContact CB-CE3 3.55Å; N547-W599 HydrophobicContact CB-CG 3.82Å; N547-W599 HydrophobicContact CB-CH2 4.49Å; N547-W599 HydrophobicContact CB-CZ2 4.4Å; N547-W599 HydrophobicContact CB-CZ3 4.08Å; R552-W599 HydrophobicContact CB-CH2 4.09Å; R552-W599 HydrophobicContact CB-CZ2 4.27Å; A554-W599 HydrophobicContact CB-CZ2 4.05Å; L564-W599 HydrophobicContact CD2-CH2 4.13Å; L564-W599 HydrophobicContact CD2-CZ2 3.86Å; L597-W599 HydrophobicContact CD2-CG 4.42Å; W599-P604 WeakPolarHBondContact CZ3-O 3.31Å; W599-F607 HydrophobicContact CD2-CB 3.86Å; W599-F607 HydrophobicContact CE3-CB 3.57Å; W599-F607 AromaticContact CE3-CD1 3.93Å; W599-F607 HydrophobicContact CE3-CD1 3.93Å; W599-F607 HydrophobicContact CE3-CG 4.04Å; W599-F607 HydrophobicContact CG-CB 4.38Å; W599-F607 AromaticContact CH2-CD1 3.83Å; W599-F607 HydrophobicContact CH2-CD1 3.83Å; W599-F607 HydrophobicContact CH2-CE1 4.23Å; W599-F607 HydrophobicContact CH2-CG 4.23Å; W599-F607 HydrophobicContact CZ3-CB 3.95Å; W599-F607 AromaticContact CZ3-CD1 3.39Å; W599-F607 HydrophobicContact CZ3-CD1 3.39Å; W599-F607 HydrophobicContact CZ3-CE1 4.13Å; W599-F607 AromaticContact CZ3-CG 3.89Å; W599-F607 HydrophobicContact CZ3-CG 3.89Å
600A93.4Very high90.9Very high1 Ų136.6 Ų36.61%0.00818%0.176CC..  trans-67.9139.5168.500000110.1D602 N603 L606 F636A600-D602 VanDerWaalsContact C-N 3.28Å; A600-D602 WeakPolarHBondContact CB-OD1 3.42Å; A600-D602 PolarHBondContact O-N 3.12Å; A600-N603 HydrophobicContact CB-CB 4.37Å; A600-L606 HydrophobicContact CB-CB 3.74Å; A600-L606 PolarHBondContact N-O 3.41Å; A600-F636 WeakPolarHBondContact CA-O 3.39Å; A600-F636 HydrophobicContact CB-CD1 3.75Å; A600-F636 HydrophobicContact CB-CD2 3.99Å; A600-F636 HydrophobicContact CB-CE1 3.76Å; A600-F636 HydrophobicContact CB-CE2 3.89Å; A600-F636 HydrophobicContact CB-CG 3.87Å; A600-F636 HydrophobicContact CB-CZ 3.8Å
601N90.2Very high91Very high79 Ų7932.5 Ų32.542%0.42216%0.157SC..SBendtrans-73.9-23.4-178.8-67.9-25.1000112.7C548 N635 F636C548-N601 WeakPolarHBondContact CB-O 3.27Å; N601-N635 PolarHBondContact ND2-OD1 2.78Å; N601-F636 PolarHBondContact N-O 3.22Å
602D89.1Confident90.9Very high59 Ų5933.2 Ų33.232%0.31616%0.161SC..SBendtrans-105.8-25-172.653.7-5.3000113.4A600 D638 H693A600-D602 VanDerWaalsContact C-N 3.28Å; A600-D602 WeakPolarHBondContact CB-OD1 3.42Å; A600-D602 PolarHBondContact O-N 3.12Å; D602-D638 WeakPolarHBondContact OD2-CA 3.49Å; D602-D638 PolarHBondContact OD2-N 2.83Å; D602-H693 IonicContact OD2-CE1 2.77Å; D602-H693 PolarHBondContact OD2-CE1 2.91Å; D602-H693 IonicContact OD2-NE2 3.19Å; D602-H693 PolarHBondContact OD2-NE2 2.82Å
603N88.2Confident90.7Very high40 Ų4027.6 Ų27.621%0.21414%0.14CC..  trans-129119.7-177.8-170.2-30.2000112.6A600 D605 L606A600-N603 HydrophobicContact CB-CB 4.37Å; N603-D605 VanDerWaalsContact C-N 3.25Å; N603-D605 PolarHBondContact O-N 3Å; N603-D605 PolarHBondContact OD1-N 3.44Å; N603-L606 HydrophobicContact CB-CB 4.19Å; N603-L606 HydrophobicContact CB-CD1 3.9Å; N603-L606 HydrophobicContact CB-CG 4.14Å; N603-L606 PolarHBondContact O-N 2.88Å
604P87.8Confident90.7Very high31 Ų3131.1 Ų31.120%0.20115%0.149CC..THydrogen-bonded Turntrans-70.2-17-176.929.2-36.1000114.9N547 C548 N549 W599N547-P604 PolarHBondContact ND2-O 3.24Å; C548-P604 VanDerWaalsContact SG-CA 3.59Å; C548-P604 VanDerWaalsContact SG-N 3.43Å; N549-P604 WeakPolarHBondContact ND2-CB 3.04Å; W599-P604 WeakPolarHBondContact CZ3-O 3.31Å
605D87.3Confident90.8Very high50 Ų5031.2 Ų31.227%0.26715%0.149SC..THydrogen-bonded Turntrans-95.1-8.7-177.5-67.5-17.1000112.6R552 N603 N620R552-D605 IonicContact NH2-OD1 3.87Å; N603-D605 VanDerWaalsContact C-N 3.25Å; N603-D605 PolarHBondContact O-N 3Å; N603-D605 PolarHBondContact OD1-N 3.44Å; D605-N620 PolarHBondContact O-N 3.43Å; D605-N620 PolarHBondContact OD1-OD1 2.93Å; D605-N620 VanDerWaalsContact OD1-OD1 3.09Å; D605-N620 PolarHBondContact OD2-ND2 3.15Å; D605-N620 PolarHBondContact OD2-OD1 2.98Å
606L91.1Very high90.9Very high0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-102131.4-179-72.1176.9000111.4A600 N603 F618 R619 F636 L639A600-L606 HydrophobicContact CB-CB 3.74Å; A600-L606 PolarHBondContact N-O 3.41Å; N603-L606 HydrophobicContact CB-CB 4.19Å; N603-L606 HydrophobicContact CB-CD1 3.9Å; N603-L606 HydrophobicContact CB-CG 4.14Å; N603-L606 PolarHBondContact O-N 2.88Å; L606-F618 WeakPolarHBondContact CA-O 3.43Å; L606-R619 HydrophobicContact CD2-CB 3.82Å; L606-R619 HydrophobicContact CD2-CG 4.03Å; L606-F636 HydrophobicContact CB-CE1 3.9Å; L606-F636 HydrophobicContact CB-CZ 3.68Å; L606-F636 HydrophobicContact CD1-CZ 4.15Å; L606-F636 HydrophobicContact CG-CZ 4.39Å; L606-L639 HydrophobicContact CD1-CD2 3.68Å
607F93.9Very high91Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-150.2152.617261.9-79.7000112L564 F589 L597 K598 W599 V609 F618L564-F607 HydrophobicContact CD1-CE1 4.21Å; L564-F607 HydrophobicContact CD1-CZ 3.88Å; F589-F607 HydrophobicContact CE1-CE2 4.37Å; F589-F607 HydrophobicContact CE1-CZ 4.28Å; F589-F607 HydrophobicContact CZ-CE2 4.26Å; F589-F607 HydrophobicContact CZ-CZ 4.06Å; L597-F607 HydrophobicContact CD1-CD2 4.01Å; L597-F607 HydrophobicContact CD1-CE2 4.43Å; L597-F607 HydrophobicContact CG-CD2 4.44Å; K598-F607 CarbonylContact O-C 3.53Å; K598-F607 WeakPolarHBondContact O-CA 3.44Å; W599-F607 HydrophobicContact CD2-CB 3.86Å; W599-F607 HydrophobicContact CE3-CB 3.57Å; W599-F607 AromaticContact CE3-CD1 3.93Å; W599-F607 HydrophobicContact CE3-CD1 3.93Å; W599-F607 HydrophobicContact CE3-CG 4.04Å; W599-F607 HydrophobicContact CG-CB 4.38Å; W599-F607 AromaticContact CH2-CD1 3.83Å; W599-F607 HydrophobicContact CH2-CD1 3.83Å; W599-F607 HydrophobicContact CH2-CE1 4.23Å; W599-F607 HydrophobicContact CH2-CG 4.23Å; W599-F607 HydrophobicContact CZ3-CB 3.95Å; W599-F607 AromaticContact CZ3-CD1 3.39Å; W599-F607 HydrophobicContact CZ3-CD1 3.39Å; W599-F607 HydrophobicContact CZ3-CE1 4.13Å; W599-F607 AromaticContact CZ3-CG 3.89Å; W599-F607 HydrophobicContact CZ3-CG 3.89Å; F607-V609 HydrophobicContact CD2-CG2 3.44Å; F607-V609 VanDerWaalsContact CD2-CG2 3.44Å; F607-V609 HydrophobicContact CE2-CG2 3.49Å; F607-V609 VanDerWaalsContact CE2-CG2 3.49Å; F607-F618 HydrophobicContact CD1-CB 3.9Å; F607-F618 HydrophobicContact CD2-CB 4.15Å; F607-F618 HydrophobicContact CD2-CD2 4.2Å; F607-F618 HydrophobicContact CE1-CB 3.42Å; F607-F618 VanDerWaalsContact CE1-CB 3.42Å; F607-F618 HydrophobicContact CE1-CG 4.23Å; F607-F618 HydrophobicContact CE2-CB 3.7Å; F607-F618 AromaticContact CE2-CD2 3.58Å; F607-F618 HydrophobicContact CE2-CD2 3.58Å; F607-F618 HydrophobicContact CE2-CE2 4.39Å; F607-F618 AromaticContact CE2-CG 3.76Å; F607-F618 HydrophobicContact CE2-CG 3.76Å; F607-F618 HydrophobicContact CG-CB 4.25Å; F607-F618 HydrophobicContact CZ-CB 3.3Å; F607-F618 HydrophobicContact CZ-CD1 4.28Å; F607-F618 AromaticContact CZ-CD2 3.94Å; F607-F618 HydrophobicContact CZ-CD2 3.94Å; F607-F618 AromaticContact CZ-CG 3.59Å; F607-F618 HydrophobicContact CZ-CG 3.59Å; F607-F618 PolarHBondContact N-O 2.86Å; F607-F618 PolarHBondContact O-N 2.9Å
608A94.7Very high90.8Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-112137176.600000109.8L597 K598 M615 Y616 I633 F636 I641L597-A608 WeakPolarHBondContact CA-O 3.44Å; K598-A608 PolarHBondContact N-O 2.72Å; K598-A608 PolarHBondContact O-N 2.91Å; A608-M615 HydrophobicContact CB-CG 4.48Å; A608-Y616 CarbonylContact C-O 3.53Å; A608-Y616 WeakPolarHBondContact CA-O 3.39Å; A608-I633 HydrophobicContact CB-CD1 3.86Å; A608-F636 HydrophobicContact CB-CD1 4.14Å; A608-F636 HydrophobicContact CB-CE1 4.43Å; A608-I641 HydrophobicContact CB-CD1 3.7Å; A608-I641 HydrophobicContact CB-CG1 4.42Å
609V94.3Very high90.5Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-126.7130.9-176-1750000109.7L562 V594 L597 F607 M615 Y616 F618L562-V609 HydrophobicContact CD2-CG1 3.89Å; L562-V609 HydrophobicContact CD2-CG2 3.93Å; V594-V609 HydrophobicContact CB-CG1 4.2Å; V594-V609 HydrophobicContact CG1-CG1 3.38Å; V594-V609 HydrophobicContact CG2-CG1 3.71Å; L597-V609 HydrophobicContact CD1-CG2 3.89Å; L597-V609 HydrophobicContact CG-CG2 4.32Å; F607-V609 HydrophobicContact CD2-CG2 3.44Å; F607-V609 VanDerWaalsContact CD2-CG2 3.44Å; F607-V609 HydrophobicContact CE2-CG2 3.49Å; F607-V609 VanDerWaalsContact CE2-CG2 3.49Å; V609-M615 CarbonylContact O-C 3.58Å; V609-M615 WeakPolarHBondContact O-CA 2.83Å; V609-Y616 PolarHBondContact N-O 2.79Å; V609-Y616 PolarHBondContact O-N 3.49Å; V609-F618 HydrophobicContact CB-CD2 4.48Å; V609-F618 HydrophobicContact CB-CE2 4.21Å; V609-F618 HydrophobicContact CG2-CD2 3.86Å; V609-F618 HydrophobicContact CG2-CE2 3.92Å
610M92Very high89.8Confident0 Ų032.8 Ų32.80%016%0.156CC..EExtended strand (participates in β ladder)trans-94.6113.3171.2-63.4-55.7-6500110.6V594 W595 D596 M615 T629 I633V594-M610 WeakPolarHBondContact CA-O 3.23Å; W595-M610 HydrophobicContact CD2-CB 4Å; W595-M610 VanDerWaalsContact CE2-CB 3.45Å; W595-M610 HydrophobicContact CG-CB 4.39Å; W595-M610 HydrophobicContact CH2-CB 4.28Å; W595-M610 HydrophobicContact CH2-CE 4.49Å; W595-M610 HydrophobicContact CH2-CG 4.14Å; W595-M610 HydrophobicContact CZ2-CB 3.63Å; W595-M610 HydrophobicContact CZ2-CE 3.74Å; W595-M610 HydrophobicContact CZ2-CG 3.83Å; W595-M610 PolarHBondContact N-O 2.81Å; W595-M610 VanDerWaalsContact N-O 3.07Å; D596-M610 HydrophobicContact CB-CB 3.94Å; D596-M610 HydrophobicContact CB-CG 3.92Å; D596-M610 PolarHBondContact O-N 3.33Å; M610-M615 HydrophobicContact CE-CB 4.32Å; M610-M615 HydrophobicContact SD-CB 3.53Å; M610-M615 VanDerWaalsContact SD-CB 3.53Å; M610-M615 HydrophobicContact SD-CG 3.65Å; M610-M615 HydrophobicContact SD-SD 4.16Å; M610-T629 HydrophobicContact CE-CG2 4.17Å; M610-T629 WeakPolarHBondContact CE-O 3.16Å; M610-I633 HydrophobicContact CG-CD1 3.7Å; M610-I633 HydrophobicContact CG-CG1 3.94Å; M610-I633 HydrophobicContact SD-CD1 4.05Å; M610-I633 HydrophobicContact SD-CG1 4.14Å
611E90.3Very high89.2Confident34 Ų3436.5 Ų36.516%0.15918%0.176CC..EExtended strand (participates in β ladder)trans-116.5114.6174.5-175.2-177.3137.200109.1R591 K592 D593 T613 R614 Y616R591-E611 IonicContact CZ-OE2 3.67Å; R591-E611 IonicContact NE-OE2 2.74Å; R591-E611 PolarHBondContact NE-OE2 3.02Å; R591-E611 IonicContact NH2-OE1 3.87Å; R591-E611 IonicContact NH2-OE2 2.72Å; R591-E611 PolarHBondContact NH2-OE2 2.73Å; K592-E611 WeakPolarHBondContact O-CG 3.46Å; D593-E611 HydrophobicContact CB-CG 4.45Å; E611-T613 PolarHBondContact O-N 3.13Å; E611-R614 PolarHBondContact N-O 2.94Å; E611-R614 PolarHBondContact O-N 3.48Å; E611-R614 VanDerWaalsContact O-O 3.13Å; E611-Y616 HydrophobicContact CB-CD2 4.07Å; E611-Y616 HydrophobicContact CB-CE2 4.03Å
612K86.4Confident88.9Confident74 Ų7438.5 Ų38.532%0.32219%0.187SC..THydrogen-bonded Turntrans51.1-103-173.6-60.7173.4177.7152.50112Y4 D593 W595Y4-K612 HydrophobicContact CD2-CB 4.09Å; Y4-K612 HydrophobicContact CD2-CD 4.11Å; Y4-K612 HydrophobicContact CD2-CG 3.73Å; Y4-K612 HydrophobicContact CE2-CB 3.81Å; Y4-K612 HydrophobicContact CE2-CD 4.44Å; Y4-K612 HydrophobicContact CE2-CG 3.99Å; Y4-K612 HydrophobicContact CG-CG 4.1Å; D593-K612 HydrophobicContact CB-CD 4.47Å; D593-K612 HydrophobicContact CB-CG 3.99Å; D593-K612 VanDerWaalsContact CG-CE 3.48Å; D593-K612 PolarHBondContact O-N 2.74Å; D593-K612 WeakPolarHBondContact OD2-CE 3.3Å; D593-K612 IonicContact OD2-NZ 2.78Å; D593-K612 PolarHBondContact OD2-NZ 3.02Å; W595-K612 PolarHBondContact NE1-O 2.85Å; W595-K612 VanDerWaalsContact NE1-O 3.08Å
613T85.1Confident88.8Confident29 Ų2939.1 Ų39.118%0.17819%0.194CC..THydrogen-bonded Turntrans-120.427.4179.365.40000112.6Y4 L55 E611 T629Y4-T613 WeakPolarHBondContact OH-CG2 3.39Å; L55-T613 HydrophobicContact CD2-CG2 4.3Å; E611-T613 PolarHBondContact O-N 3.13Å; T613-T629 CarbonylContact C-O 3.59Å; T613-T629 WeakPolarHBondContact CA-O 3.45Å; T613-T629 PolarHBondContact O-N 2.86Å
614R88.6Confident88.8Confident126 Ų12638.4 Ų38.448%0.47519%0.189SC..EExtended strand (participates in β ladder)trans-132.9135180-68.4179.5178.6174.6-2.4109.5E611 Y616 P626 I627E611-R614 PolarHBondContact N-O 2.94Å; E611-R614 PolarHBondContact O-N 3.48Å; E611-R614 VanDerWaalsContact O-O 3.13Å; R614-Y616 HydrophobicContact CB-CD2 4.3Å; R614-Y616 HydrophobicContact CB-CE2 3.71Å; R614-P626 HydrophobicContact CB-CB 4.27Å; R614-I627 CarbonylContact C-O 3.55Å; R614-I627 WeakPolarHBondContact CA-O 3.46Å
615M91.6Very high88.7Confident1 Ų143.2 Ų43.21%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-95.8123.6170-172.3172.367.800108.6A608 V609 M610 P626 I627 T629 I633 I641 F664A608-M615 HydrophobicContact CB-CG 4.48Å; V609-M615 CarbonylContact O-C 3.58Å; V609-M615 WeakPolarHBondContact O-CA 2.83Å; M610-M615 HydrophobicContact CE-CB 4.32Å; M610-M615 HydrophobicContact SD-CB 3.53Å; M610-M615 VanDerWaalsContact SD-CB 3.53Å; M610-M615 HydrophobicContact SD-CG 3.65Å; M610-M615 HydrophobicContact SD-SD 4.16Å; M615-P626 WeakPolarHBondContact O-CA 3.44Å; M615-I627 HydrophobicContact CB-CB 4.38Å; M615-I627 HydrophobicContact CE-CB 4.2Å; M615-I627 HydrophobicContact CE-CD1 3.6Å; M615-I627 HydrophobicContact CE-CG1 4.48Å; M615-I627 HydrophobicContact CE-CG2 4.4Å; M615-I627 PolarHBondContact N-O 3.16Å; M615-I627 PolarHBondContact O-N 3.39Å; M615-T629 HydrophobicContact CB-CG2 3.65Å; M615-T629 HydrophobicContact CE-CG2 4.48Å; M615-T629 HydrophobicContact SD-CG2 4.48Å; M615-I633 HydrophobicContact SD-CD1 4.42Å; M615-I633 HydrophobicContact SD-CG1 4.45Å; M615-I641 HydrophobicContact CE-CB 4.31Å; M615-I641 HydrophobicContact CE-CD1 3.91Å; M615-I641 HydrophobicContact CE-CG2 4.18Å; M615-I641 HydrophobicContact SD-CB 4.48Å; M615-I641 HydrophobicContact SD-CD1 4.11Å; M615-I641 HydrophobicContact SD-CG2 3.76Å; M615-F664 HydrophobicContact CE-CB 3.94Å; M615-F664 HydrophobicContact CE-CD2 3.59Å; M615-F664 HydrophobicContact CE-CE2 4.26Å; M615-F664 HydrophobicContact CE-CG 3.87Å
616Y92.6Very high88.7Confident28 Ų2843.8 Ų43.811%0.1122%0.215CC..EExtended strand (participates in β ladder)trans-106.4127.9172.5-70-92.7000108.5A608 V609 E611 R614 F618 P623 P626A608-Y616 CarbonylContact C-O 3.53Å; A608-Y616 WeakPolarHBondContact CA-O 3.39Å; V609-Y616 PolarHBondContact N-O 2.79Å; V609-Y616 PolarHBondContact O-N 3.49Å; E611-Y616 HydrophobicContact CB-CD2 4.07Å; E611-Y616 HydrophobicContact CB-CE2 4.03Å; R614-Y616 HydrophobicContact CB-CD2 4.3Å; R614-Y616 HydrophobicContact CB-CE2 3.71Å; Y616-F618 HydrophobicContact CG-CE2 4.44Å; Y616-P623 HydrophobicContact CD1-CB 4.4Å; Y616-P626 HydrophobicContact CD1-CB 3.94Å; Y616-P626 HydrophobicContact CE1-CB 3.53Å; Y616-P626 HydrophobicContact CE1-CG 3.88Å; Y616-P626 HydrophobicContact CE2-CB 4.22Å; Y616-P626 HydrophobicContact CG-CB 4.45Å
617V92.7Very high88.6Confident2 Ų245.2 Ų45.21%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-99.3130.1171.1-175.70000107.3E624 F636 I641 I666V617-E624 HydrophobicContact CB-CB 4.35Å; V617-E624 HydrophobicContact CB-CG 4.46Å; V617-E624 PolarHBondContact O-N 3.44Å; V617-F636 HydrophobicContact CG1-CE1 4.48Å; V617-F636 HydrophobicContact CG1-CZ 4.38Å; V617-I641 HydrophobicContact CG2-CD1 3.35Å; V617-I666 HydrophobicContact CG1-CD1 3.88Å; V617-I666 HydrophobicContact CG1-CG1 4.16Å; V617-I666 HydrophobicContact CG1-CG2 4.17Å; V617-I666 HydrophobicContact CG2-CG1 4.41Å
618F90.4Very high88.2Confident2 Ų250.6 Ų50.61%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-113.8140.4179.6-73.7-90.7000110.3F589 L606 F607 V609 Y616 L621 D622 P623F589-F618 AromaticContact CE2-CD1 3.85Å; F589-F618 HydrophobicContact CE2-CD1 3.85Å; F589-F618 AromaticContact CE2-CE1 3.46Å; F589-F618 HydrophobicContact CE2-CE1 3.46Å; F589-F618 VanDerWaalsContact CE2-CE1 3.46Å; F589-F618 AromaticContact CE2-CZ 3.97Å; F589-F618 HydrophobicContact CE2-CZ 3.97Å; F589-F618 HydrophobicContact CZ-CD1 4Å; F589-F618 HydrophobicContact CZ-CD2 4.44Å; F589-F618 AromaticContact CZ-CE1 3.63Å; F589-F618 HydrophobicContact CZ-CE1 3.63Å; F589-F618 HydrophobicContact CZ-CE2 4.09Å; F589-F618 HydrophobicContact CZ-CG 4.39Å; F589-F618 AromaticContact CZ-CZ 3.68Å; F589-F618 HydrophobicContact CZ-CZ 3.68Å; L606-F618 WeakPolarHBondContact CA-O 3.43Å; F607-F618 HydrophobicContact CD1-CB 3.9Å; F607-F618 HydrophobicContact CD2-CB 4.15Å; F607-F618 HydrophobicContact CD2-CD2 4.2Å; F607-F618 HydrophobicContact CE1-CB 3.42Å; F607-F618 VanDerWaalsContact CE1-CB 3.42Å; F607-F618 HydrophobicContact CE1-CG 4.23Å; F607-F618 HydrophobicContact CE2-CB 3.7Å; F607-F618 AromaticContact CE2-CD2 3.58Å; F607-F618 HydrophobicContact CE2-CD2 3.58Å; F607-F618 HydrophobicContact CE2-CE2 4.39Å; F607-F618 AromaticContact CE2-CG 3.76Å; F607-F618 HydrophobicContact CE2-CG 3.76Å; F607-F618 HydrophobicContact CG-CB 4.25Å; F607-F618 HydrophobicContact CZ-CB 3.3Å; F607-F618 HydrophobicContact CZ-CD1 4.28Å; F607-F618 AromaticContact CZ-CD2 3.94Å; F607-F618 HydrophobicContact CZ-CD2 3.94Å; F607-F618 AromaticContact CZ-CG 3.59Å; F607-F618 HydrophobicContact CZ-CG 3.59Å; F607-F618 PolarHBondContact N-O 2.86Å; F607-F618 PolarHBondContact O-N 2.9Å; V609-F618 HydrophobicContact CB-CD2 4.48Å; V609-F618 HydrophobicContact CB-CE2 4.21Å; V609-F618 HydrophobicContact CG2-CD2 3.86Å; V609-F618 HydrophobicContact CG2-CE2 3.92Å; Y616-F618 HydrophobicContact CG-CE2 4.44Å; F618-L621 WeakPolarHBondContact CD1-O 3.43Å; F618-D622 WeakPolarHBondContact CA-O 3.37Å; F618-P623 HydrophobicContact CD1-CB 3.96Å; F618-P623 HydrophobicContact CE1-CB 3.46Å; F618-P623 VanDerWaalsContact CE1-CB 3.46Å; F618-P623 HydrophobicContact CE1-CG 3.99Å; F618-P623 HydrophobicContact CZ-CB 3.88Å
619R85.8Confident87.8Confident75 Ų7551 Ų5128%0.28325%0.25SS..EExtended strand (participates in β ladder)trans-114.8114.6165.3-177.2179.3-69.4-176.6-1.8108.8L606 L621 D622 S668 N691L606-R619 HydrophobicContact CD2-CB 3.82Å; L606-R619 HydrophobicContact CD2-CG 4.03Å; R619-L621 PolarHBondContact O-N 2.82Å; R619-D622 PolarHBondContact N-O 2.72Å; R619-D622 PolarHBondContact O-N 3.16Å; R619-S668 PolarHBondContact NH2-OG 3.27Å; R619-N691 PolarHBondContact NH1-OD1 3.3Å
620N80.4Confident87.2Confident57 Ų5751 Ų5131%0.30525%0.25SS..THydrogen-bonded Turntrans59.2-67.7-169.5-88.2-56.8000113.9R552 D605R552-N620 PolarHBondContact NH1-O 3.11Å; R552-N620 PolarHBondContact NH1-OD1 3.35Å; R552-N620 PolarHBondContact NH2-OD1 2.9Å; D605-N620 PolarHBondContact O-N 3.43Å; D605-N620 PolarHBondContact OD1-OD1 2.93Å; D605-N620 VanDerWaalsContact OD1-OD1 3.09Å; D605-N620 PolarHBondContact OD2-ND2 3.15Å; D605-N620 PolarHBondContact OD2-OD1 2.98Å
621L81.9Confident87Confident80 Ų8051 Ų5142%0.41925%0.25SS..THydrogen-bonded Turntrans-151.3-3.6173-64.4178.3000112.8L564 F589 F618 R619 P623L564-L621 HydrophobicContact CD1-CD2 3.9Å; F589-L621 HydrophobicContact CB-CD2 3.78Å; F589-L621 HydrophobicContact CD2-CB 4.43Å; F589-L621 HydrophobicContact CD2-CD2 3.66Å; F589-L621 HydrophobicContact CE2-CD2 4.39Å; F589-L621 HydrophobicContact CG-CD2 3.8Å; F618-L621 WeakPolarHBondContact CD1-O 3.43Å; R619-L621 PolarHBondContact O-N 2.82Å; L621-P623 WeakPolarHBondContact O-CD 3.42Å
622D83.5Confident87.1Confident121 Ų12149.9 Ų49.965%0.64725%0.245SC*.EExtended strand (participates in β ladder)trans-87.4121-176.8-65.5-49.4000110.2F618 R619F618-D622 WeakPolarHBondContact CA-O 3.37Å; R619-D622 PolarHBondContact N-O 2.72Å; R619-D622 PolarHBondContact O-N 3.16Å
623P87.4Confident87.4Confident71 Ų7146.7 Ų46.746%0.46123%0.231SC..EExtended strand (participates in β ladder)trans-75.2136.2177.127-29.9000111.5Y616 F618 L621Y616-P623 HydrophobicContact CD1-CB 4.4Å; F618-P623 HydrophobicContact CD1-CB 3.96Å; F618-P623 HydrophobicContact CE1-CB 3.46Å; F618-P623 VanDerWaalsContact CE1-CB 3.46Å; F618-P623 HydrophobicContact CE1-CG 3.99Å; F618-P623 HydrophobicContact CZ-CB 3.88Å; L621-P623 WeakPolarHBondContact O-CD 3.42Å
624E88Confident87.7Confident26 Ų2645.6 Ų45.612%0.12122%0.224CC..PPolyproline II helixtrans-78.2173.8162.6-63.6-167-179.300111.9V617 I666 R667V617-E624 HydrophobicContact CB-CB 4.35Å; V617-E624 HydrophobicContact CB-CG 4.46Å; V617-E624 PolarHBondContact O-N 3.44Å; E624-I666 WeakPolarHBondContact OE1-CG2 3.37Å; E624-I666 VanDerWaalsContact OE2-CG2 3.27Å; E624-I666 WeakPolarHBondContact OE2-CG2 3.41Å; E624-R667 HydrophobicContact CG-CB 4.47Å; E624-R667 WeakPolarHBondContact OE2-CB 3.47Å; E624-R667 PolarHBondContact OE2-N 3.45Å
625E84.5Confident87.9Confident132 Ų13241.3 Ų41.362%0.61721%0.211SC*.PPolyproline II helixtrans-57.3127.2174-66.8-179.8172.300110.8I627E625-I627 PolarHBondContact O-N 2.8Å
626P88.4Confident88Confident62 Ų6241.2 Ų41.240%0.40321%0.211SC..PPolyproline II helixtrans-68136.3-176.123.7-31.2000111.9R614 M615 Y616R614-P626 HydrophobicContact CB-CB 4.27Å; M615-P626 WeakPolarHBondContact O-CA 3.44Å; Y616-P626 HydrophobicContact CD1-CB 3.94Å; Y616-P626 HydrophobicContact CE1-CB 3.53Å; Y616-P626 HydrophobicContact CE1-CG 3.88Å; Y616-P626 HydrophobicContact CE2-CB 4.22Å; Y616-P626 HydrophobicContact CG-CB 4.45Å
627I88.1Confident88Confident29 Ų2943.9 Ų43.915%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-93.7124.5174.3-61.7163.9000107.9R614 M615 E625 T629 F664R614-I627 CarbonylContact C-O 3.55Å; R614-I627 WeakPolarHBondContact CA-O 3.46Å; M615-I627 HydrophobicContact CB-CB 4.38Å; M615-I627 HydrophobicContact CE-CB 4.2Å; M615-I627 HydrophobicContact CE-CD1 3.6Å; M615-I627 HydrophobicContact CE-CG1 4.48Å; M615-I627 HydrophobicContact CE-CG2 4.4Å; M615-I627 PolarHBondContact N-O 3.16Å; M615-I627 PolarHBondContact O-N 3.39Å; E625-I627 PolarHBondContact O-N 2.8Å; I627-T629 HydrophobicContact CG2-CG2 4.17Å; I627-T629 PolarHBondContact O-N 3.49Å; I627-T629 VanDerWaalsContact O-N 3.16Å; I627-F664 HydrophobicContact CD1-CB 4.1Å; I627-F664 HydrophobicContact CD1-CD1 4.44Å; I627-F664 HydrophobicContact CD1-CG 4.37Å; I627-F664 HydrophobicContact CG2-CD1 3.75Å; I627-F664 HydrophobicContact CG2-CE1 3.64Å; I627-F664 HydrophobicContact CG2-CG 4.33Å; I627-F664 HydrophobicContact CG2-CZ 4.11Å
628Q86.1Confident87.8Confident114 Ų11447.2 Ų47.253%0.53324%0.242SC..EExtended strand (participates in β ladder)trans-76.5105.1177.3-169.8173.75.300109.7L55L55-Q628 HydrophobicContact CD1-CG 3.79Å; L55-Q628 HydrophobicContact CD2-CG 4.31Å
629T84.8Confident87.7Confident8 Ų847.2 Ų47.25%0.04924%0.242CC..  trans-158.8157.3-179.4-179.10000109.8M610 T613 M615 I627 G631 F664M610-T629 HydrophobicContact CE-CG2 4.17Å; M610-T629 WeakPolarHBondContact CE-O 3.16Å; T613-T629 CarbonylContact C-O 3.59Å; T613-T629 WeakPolarHBondContact CA-O 3.45Å; T613-T629 PolarHBondContact O-N 2.86Å; M615-T629 HydrophobicContact CB-CG2 3.65Å; M615-T629 HydrophobicContact CE-CG2 4.48Å; M615-T629 HydrophobicContact SD-CG2 4.48Å; I627-T629 HydrophobicContact CG2-CG2 4.17Å; I627-T629 PolarHBondContact O-N 3.49Å; I627-T629 VanDerWaalsContact O-N 3.16Å; T629-G631 PolarHBondContact OG1-N 3.11Å; T629-G631 VanDerWaalsContact OG1-N 3.12Å; T629-F664 HydrophobicContact CG2-CE2 4.05Å; T629-F664 HydrophobicContact CG2-CZ 4.18Å
630S83.1Confident88Confident0 Ų046 Ų460%024%0.239CC..  trans-128.728.9167.762.20000112.4G54 R338G54-S630 VanDerWaalsContact C-OG 3.25Å; G54-S630 PolarHBondContact O-OG 3.4Å; R338-S630 VanDerWaalsContact CZ-CB 3.42Å; R338-S630 PolarHBondContact NH2-OG 3.44Å
631G87.8Confident88.6Confident0 Ų043.3 Ų43.30%023%0.225CC..PPolyproline II helixtrans-68.3146.2169.500000111.4T629 V644T629-G631 PolarHBondContact OG1-N 3.11Å; T629-G631 VanDerWaalsContact OG1-N 3.12Å; G631-V644 WeakPolarHBondContact CA-O 3.41Å
632Y91.2Very high89.2Confident11 Ų1141.9 Ų41.94%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-77.8134.3168.3-68-103.8000108.5P339 Y341 W343 W595 C634 S643 V644 L646P339-Y632 PolarHBondContact O-OH 3.29Å; Y341-Y632 HydrophobicContact CD2-CE1 4.42Å; Y341-Y632 HydrophobicContact CD2-CE2 4.31Å; Y341-Y632 AromaticContact CD2-CZ 3.9Å; Y341-Y632 HydrophobicContact CE2-CE2 4.22Å; W343-Y632 HydrophobicContact CZ2-CD1 4.28Å; W343-Y632 HydrophobicContact CZ2-CG 4.32Å; W343-Y632 AromaticContact NE1-CD1 3.95Å; W595-Y632 HydrophobicContact CH2-CD1 4.06Å; W595-Y632 HydrophobicContact CH2-CE1 4.2Å; W595-Y632 HydrophobicContact CH2-CG 4.22Å; W595-Y632 AromaticContact CZ3-CD1 3.64Å; W595-Y632 HydrophobicContact CZ3-CD1 3.64Å; W595-Y632 AromaticContact CZ3-CE1 3.65Å; W595-Y632 HydrophobicContact CZ3-CE1 3.65Å; W595-Y632 HydrophobicContact CZ3-CG 4.26Å; Y632-C634 PolarHBondContact O-N 2.95Å; Y632-S643 CarbonylContact O-C 3.55Å; Y632-S643 VanDerWaalsContact O-CA 3.23Å; Y632-S643 WeakPolarHBondContact O-CA 3.44Å; Y632-S643 WeakPolarHBondContact O-CB 3.48Å; Y632-V644 PolarHBondContact N-O 2.92Å; Y632-V644 PolarHBondContact O-N 3.41Å; Y632-L646 HydrophobicContact CD1-CD1 3.9Å; Y632-L646 HydrophobicContact CD2-CB 3.77Å; Y632-L646 HydrophobicContact CD2-CD1 3.7Å; Y632-L646 HydrophobicContact CD2-CG 3.74Å; Y632-L646 HydrophobicContact CE1-CD1 4.26Å; Y632-L646 HydrophobicContact CE2-CB 3.81Å; Y632-L646 HydrophobicContact CE2-CD1 4.09Å; Y632-L646 HydrophobicContact CE2-CG 4.24Å; Y632-L646 HydrophobicContact CG-CD1 3.6Å; Y632-L646 HydrophobicContact CG-CG 4.06Å
633I93.6Very high89.6Confident6 Ų636.1 Ų36.13%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-78116.8-172.8-56.6173000109.5D596 K598 A608 M610 M615 I641D596-I633 PolarHBondContact OD2-N 2.98Å; K598-I633 HydrophobicContact CB-CB 4.22Å; K598-I633 HydrophobicContact CB-CD1 4.43Å; K598-I633 HydrophobicContact CB-CG2 3.6Å; K598-I633 HydrophobicContact CG-CG2 4.01Å; A608-I633 HydrophobicContact CB-CD1 3.86Å; M610-I633 HydrophobicContact CG-CD1 3.7Å; M610-I633 HydrophobicContact CG-CG1 3.94Å; M610-I633 HydrophobicContact SD-CD1 4.05Å; M610-I633 HydrophobicContact SD-CG1 4.14Å; M615-I633 HydrophobicContact SD-CD1 4.42Å; M615-I633 HydrophobicContact SD-CG1 4.45Å; I633-I641 HydrophobicContact CG2-CG2 3.93Å
634C92.2Very high89.9Confident6 Ų632.8 Ų32.84%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-84.4-55.1-179.8-64.90000111.8Y345 Y632 K642 V644Y345-C634 HydrophobicContact CD1-CB 3.86Å; Y345-C634 HydrophobicContact CD2-CB 4Å; Y345-C634 HydrophobicContact CE1-CB 4.3Å; Y345-C634 HydrophobicContact CE2-CB 4.42Å; Y345-C634 HydrophobicContact CG-CB 3.68Å; Y632-C634 PolarHBondContact O-N 2.95Å; C634-K642 WeakPolarHBondContact CA-O 3.23Å; C634-K642 HydrophobicContact CB-CB 4.3Å; C634-K642 HydrophobicContact CB-CG 4.21Å; C634-K642 WeakPolarHBondContact CB-O 3.47Å; C634-K642 PolarHBondContact N-O 3.32Å; C634-V644 WeakPolarHBondContact SG-CG1 3.34Å
635N92.9Very high90Very high36 Ų3631.7 Ų31.719%0.19316%0.158CC..EExtended strand (participates in β ladder)trans-149.7148.2-175.5-16442.6000110.4Y345 N601 E637 K642Y345-N635 HydrophobicContact CD1-CB 4.11Å; Y345-N635 HydrophobicContact CE1-CB 3.84Å; N601-N635 PolarHBondContact ND2-OD1 2.78Å; N635-E637 WeakPolarHBondContact ND2-CB 3.48Å; N635-E637 PolarHBondContact ND2-OE2 3.35Å; N635-K642 HydrophobicContact CB-CB 4.45Å; N635-K642 PolarHBondContact N-O 2.97Å; N635-K642 PolarHBondContact O-N 2.84Å
636F93.1Very high90.2Very high0 Ų025.4 Ų25.40%013%0.128CC..EExtended strand (participates in β ladder)trans-132.3108.2170.3-177.6-173.5000108.3K598 A600 N601 L606 A608 V617 I641 I666K598-F636 HydrophobicContact CG-CB 4.42Å; A600-F636 WeakPolarHBondContact CA-O 3.39Å; A600-F636 HydrophobicContact CB-CD1 3.75Å; A600-F636 HydrophobicContact CB-CD2 3.99Å; A600-F636 HydrophobicContact CB-CE1 3.76Å; A600-F636 HydrophobicContact CB-CE2 3.89Å; A600-F636 HydrophobicContact CB-CG 3.87Å; A600-F636 HydrophobicContact CB-CZ 3.8Å; N601-F636 PolarHBondContact N-O 3.22Å; L606-F636 HydrophobicContact CB-CE1 3.9Å; L606-F636 HydrophobicContact CB-CZ 3.68Å; L606-F636 HydrophobicContact CD1-CZ 4.15Å; L606-F636 HydrophobicContact CG-CZ 4.39Å; A608-F636 HydrophobicContact CB-CD1 4.14Å; A608-F636 HydrophobicContact CB-CE1 4.43Å; V617-F636 HydrophobicContact CG1-CE1 4.48Å; V617-F636 HydrophobicContact CG1-CZ 4.38Å; F636-I641 HydrophobicContact CB-CG1 4.33Å; F636-I641 HydrophobicContact CD1-CG1 4.24Å; F636-I641 HydrophobicContact CD2-CG1 3.74Å; F636-I641 HydrophobicContact CE2-CG1 4.16Å; F636-I641 HydrophobicContact CG-CG1 3.84Å; F636-I666 HydrophobicContact CD2-CD1 4.08Å; F636-I666 HydrophobicContact CE1-CD1 4.21Å; F636-I666 HydrophobicContact CE2-CD1 3.06Å; F636-I666 HydrophobicContact CE2-CG1 4.46Å; F636-I666 HydrophobicContact CZ-CD1 3.12Å
637E91.2Very high90.1Very high83 Ų8322.8 Ų22.839%0.38811%0.111SC..EExtended strand (participates in β ladder)trans-159152.2-176-173.1170.9-167.200108.7N635 L639 E640N635-E637 WeakPolarHBondContact ND2-CB 3.48Å; N635-E637 PolarHBondContact ND2-OE2 3.35Å; E637-L639 PolarHBondContact O-N 2.85Å; E637-E640 PolarHBondContact N-O 3.17Å; E637-E640 PolarHBondContact O-N 3.29Å; E637-E640 VanDerWaalsContact O-O 3.05Å
638D88.4Confident90Very high72 Ų7223.9 Ų23.939%0.38512%0.116SC..THydrogen-bonded Turntrans56.434177.2-71.3-38.3000114.2D602 E640 R695D602-D638 WeakPolarHBondContact OD2-CA 3.49Å; D602-D638 PolarHBondContact OD2-N 2.83Å; D638-E640 PolarHBondContact O-N 2.8Å; D638-R695 HydrophobicContact CB-CB 4.29Å; D638-R695 HydrophobicContact CB-CG 4.22Å; D638-R695 WeakPolarHBondContact O-CG 3.42Å
639L90.2Very high90.1Very high3 Ų318.6 Ų18.62%0.0169%0.091CC..THydrogen-bonded Turntrans6019.7-175.4-51175.7000114.4L606 E637 I666 L669 H693 L696L606-L639 HydrophobicContact CD1-CD2 3.68Å; E637-L639 PolarHBondContact O-N 2.85Å; L639-I666 WeakPolarHBondContact O-CB 3.37Å; L639-I666 VanDerWaalsContact O-CG1 3.3Å; L639-I666 WeakPolarHBondContact O-CG1 3.36Å; L639-I666 PolarHBondContact O-N 2.88Å; L639-I666 VanDerWaalsContact O-N 3.09Å; L639-L669 HydrophobicContact CB-CB 4.32Å; L639-H693 HydrophobicContact CD1-CB 3.98Å; L639-L696 HydrophobicContact CD1-CD1 3.81Å; L639-L696 HydrophobicContact CD1-CD2 3.76Å; L639-L696 HydrophobicContact CD1-CG 3.57Å
640E91.9Very high90.2Very high48 Ų4820.1 Ų20.122%0.22410%0.098CC..EExtended strand (participates in β ladder)trans-120.1137.7176.3-68.8179.4-164.900110.4E637 D638 F664 E665 L669 R695E637-E640 PolarHBondContact N-O 3.17Å; E637-E640 PolarHBondContact O-N 3.29Å; E637-E640 VanDerWaalsContact O-O 3.05Å; D638-E640 PolarHBondContact O-N 2.8Å; E640-F664 WeakPolarHBondContact CA-O 3.39Å; E640-E665 HydrophobicContact CG-CG 4.39Å; E640-L669 HydrophobicContact CG-CD2 3.79Å; E640-R695 IonicContact OE1-NH2 2.93Å
641I93.1Very high90.2Very high1 Ų126 Ų261%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-109.1116.2175.2-60.4163.4000108.2A608 M615 V617 I633 F636 N663 F664 I666A608-I641 HydrophobicContact CB-CD1 3.7Å; A608-I641 HydrophobicContact CB-CG1 4.42Å; M615-I641 HydrophobicContact CE-CB 4.31Å; M615-I641 HydrophobicContact CE-CD1 3.91Å; M615-I641 HydrophobicContact CE-CG2 4.18Å; M615-I641 HydrophobicContact SD-CB 4.48Å; M615-I641 HydrophobicContact SD-CD1 4.11Å; M615-I641 HydrophobicContact SD-CG2 3.76Å; V617-I641 HydrophobicContact CG2-CD1 3.35Å; I633-I641 HydrophobicContact CG2-CG2 3.93Å; F636-I641 HydrophobicContact CB-CG1 4.33Å; F636-I641 HydrophobicContact CD1-CG1 4.24Å; F636-I641 HydrophobicContact CD2-CG1 3.74Å; F636-I641 HydrophobicContact CE2-CG1 4.16Å; F636-I641 HydrophobicContact CG-CG1 3.84Å; I641-N663 WeakPolarHBondContact O-CA 3.34Å; I641-F664 HydrophobicContact CB-CB 4.42Å; I641-F664 PolarHBondContact N-O 2.94Å; I641-F664 PolarHBondContact O-N 2.82Å; I641-I666 HydrophobicContact CD1-CD1 4.11Å; I641-I666 HydrophobicContact CD1-CG1 4.12Å; I641-I666 HydrophobicContact CG1-CD1 4.19Å; I641-I666 HydrophobicContact CG1-CG1 4.4Å
642K92.9Very high90.1Very high51 Ų5131.7 Ų31.722%0.22215%0.154CC..EExtended strand (participates in β ladder)trans-91.3130.6172.4-171.8168.3-71.8168.70109.4Y345 C634 N635 F662 N663Y345-K642 HydrophobicContact CE1-CD 4.44Å; Y345-K642 HydrophobicContact CE2-CD 4.19Å; Y345-K642 WeakPolarHBondContact OH-CD 3.25Å; Y345-K642 PolarHBondContact OH-NZ 2.75Å; Y345-K642 VanDerWaalsContact OH-NZ 3.13Å; C634-K642 WeakPolarHBondContact CA-O 3.23Å; C634-K642 HydrophobicContact CB-CB 4.3Å; C634-K642 HydrophobicContact CB-CG 4.21Å; C634-K642 WeakPolarHBondContact CB-O 3.47Å; C634-K642 PolarHBondContact N-O 3.32Å; N635-K642 HydrophobicContact CB-CB 4.45Å; N635-K642 PolarHBondContact N-O 2.97Å; N635-K642 PolarHBondContact O-N 2.84Å; K642-F662 CarbonylContact C-O 3.55Å; K642-F662 WeakPolarHBondContact CA-O 3.26Å; K642-N663 WeakPolarHBondContact CE-OD1 3.18Å; K642-N663 WeakPolarHBondContact CG-OD1 3.49Å
643S92.8Very high89.9Confident0 Ų032.1 Ų32.10%016%0.158CC..EExtended strand (participates in β ladder)trans-134.7156.7178.9700000111.7Y632 L661 F662 F664Y632-S643 CarbonylContact O-C 3.55Å; Y632-S643 VanDerWaalsContact O-CA 3.23Å; Y632-S643 WeakPolarHBondContact O-CA 3.44Å; Y632-S643 WeakPolarHBondContact O-CB 3.48Å; S643-L661 WeakPolarHBondContact O-CA 3.42Å; S643-F662 PolarHBondContact N-O 3.42Å; S643-F662 PolarHBondContact O-N 3.45Å; S643-F662 PolarHBondContact OG-O 3.04Å; S643-F664 VanDerWaalsContact OG-CE2 3.22Å; S643-F664 WeakPolarHBondContact OG-CE2 3.27Å
644V92.7Very high89.5Confident0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-131.4135.5-17966.70000111.2W343 V350 G631 Y632 C634 L646 I649 L661W343-V644 HydrophobicContact CE3-CG1 4.41Å; W343-V644 HydrophobicContact CH2-CG1 4.25Å; W343-V644 HydrophobicContact CZ3-CG1 3.89Å; V350-V644 HydrophobicContact CG2-CG2 4.45Å; G631-V644 WeakPolarHBondContact CA-O 3.41Å; Y632-V644 PolarHBondContact N-O 2.92Å; Y632-V644 PolarHBondContact O-N 3.41Å; C634-V644 WeakPolarHBondContact SG-CG1 3.34Å; V644-L646 HydrophobicContact CG1-CD2 3.85Å; V644-L646 HydrophobicContact CG1-CG 3.95Å; V644-L646 HydrophobicContact CG2-CD2 4.32Å; V644-L646 PolarHBondContact O-N 2.75Å; V644-I649 HydrophobicContact CG2-CD1 3.4Å; V644-L661 HydrophobicContact CB-CD2 3.77Å; V644-L661 HydrophobicContact CG2-CD2 3.73Å; V644-L661 HydrophobicContact CG2-CG 4.47Å
645L90.7Very high89.3Confident3 Ų345.7 Ų45.72%0.01621%0.212CC..  trans-84.782173.5-63-179.6000110.7K53 D647 E648 I649 N660 F662K53-L645 VanDerWaalsContact C-CD1 3.47Å; K53-L645 HydrophobicContact CB-CD1 3.64Å; K53-L645 WeakPolarHBondContact O-CD1 3.32Å; L645-D647 VanDerWaalsContact C-N 3.27Å; L645-D647 PolarHBondContact O-N 2.89Å; L645-E648 HydrophobicContact CB-CB 4.18Å; L645-E648 HydrophobicContact CB-CG 4.17Å; L645-E648 HydrophobicContact CD1-CG 4.18Å; L645-E648 PolarHBondContact O-N 2.87Å; L645-I649 WeakPolarHBondContact O-CG1 3.38Å; L645-I649 PolarHBondContact O-N 3.31Å; L645-I649 VanDerWaalsContact O-N 3.17Å; L645-N660 HydrophobicContact CB-CB 4.28Å; L645-N660 PolarHBondContact N-O 3.08Å; L645-F662 HydrophobicContact CD1-CD2 4.41Å; L645-F662 HydrophobicContact CD1-CE2 3.5Å; L645-F662 HydrophobicContact CD1-CZ 4.24Å; L645-F662 HydrophobicContact CG-CD2 4.24Å; L645-F662 HydrophobicContact CG-CE2 3.79Å
646L89.1Confident89Confident0 Ų044.7 Ų44.70%021%0.208CC..Hα-helixtrans-61-36.4179.1-65176.5000112.6Y341 W343 V350 Y632 V644 E648 I649 M650Y341-L646 HydrophobicContact CD2-CB 3.7Å; Y341-L646 HydrophobicContact CD2-CD1 3.8Å; Y341-L646 HydrophobicContact CD2-CG 4.41Å; Y341-L646 HydrophobicContact CE2-CB 3.83Å; Y341-L646 HydrophobicContact CG-CD1 4.41Å; W343-L646 HydrophobicContact CB-CD1 4.17Å; W343-L646 VanDerWaalsContact CD1-CD1 3.48Å; W343-L646 HydrophobicContact CD2-CD1 3.53Å; W343-L646 HydrophobicContact CD2-CD2 4.45Å; W343-L646 HydrophobicContact CE3-CD1 4.2Å; W343-L646 HydrophobicContact CE3-CD2 4.41Å; W343-L646 HydrophobicContact CG-CD1 3.46Å; W343-L646 VanDerWaalsContact CG-CD1 3.46Å; W343-L646 HydrophobicContact CZ2-CD1 4.43Å; V350-L646 HydrophobicContact CG1-CD2 4.49Å; Y632-L646 HydrophobicContact CD1-CD1 3.9Å; Y632-L646 HydrophobicContact CD2-CB 3.77Å; Y632-L646 HydrophobicContact CD2-CD1 3.7Å; Y632-L646 HydrophobicContact CD2-CG 3.74Å; Y632-L646 HydrophobicContact CE1-CD1 4.26Å; Y632-L646 HydrophobicContact CE2-CB 3.81Å; Y632-L646 HydrophobicContact CE2-CD1 4.09Å; Y632-L646 HydrophobicContact CE2-CG 4.24Å; Y632-L646 HydrophobicContact CG-CD1 3.6Å; Y632-L646 HydrophobicContact CG-CG 4.06Å; V644-L646 HydrophobicContact CG1-CD2 3.85Å; V644-L646 HydrophobicContact CG1-CG 3.95Å; V644-L646 HydrophobicContact CG2-CD2 4.32Å; V644-L646 PolarHBondContact O-N 2.75Å; L646-E648 PolarHBondContact O-N 2.68Å; L646-I649 HydrophobicContact CD2-CD1 4.47Å; L646-I649 PolarHBondContact O-N 3.11Å; L646-I649 VanDerWaalsContact O-N 3.11Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 VanDerWaalsContact O-CG 3.25Å; L646-M650 WeakPolarHBondContact O-CG 3.29Å; L646-M650 PolarHBondContact O-N 3.15Å
647D86.4Confident88.7Confident7 Ų748 Ų484%0.03723%0.226CC..Hα-helixtrans-60.4-34.2179.6-63.5-42.3000112.4L322 R338 Y341 L645L322-D647 HydrophobicContact CD1-CB 3.82Å; R338-D647 IonicContact CZ-OD2 2.76Å; R338-D647 IonicContact NH1-OD2 3.34Å; R338-D647 PolarHBondContact NH1-OD2 2.78Å; Y341-D647 WeakPolarHBondContact CE2-OD1 3.49Å; Y341-D647 PolarHBondContact OH-OD1 3Å; L645-D647 VanDerWaalsContact C-N 3.27Å; L645-D647 PolarHBondContact O-N 2.89Å
648E85.9Confident88.5Confident53 Ų5348 Ų4825%0.24822%0.224CC..Hα-helixtrans-78.5-36.3175.3-64.8-57.1142.300112L645 L646 M650 K651L645-E648 HydrophobicContact CB-CB 4.18Å; L645-E648 HydrophobicContact CB-CG 4.17Å; L645-E648 HydrophobicContact CD1-CG 4.18Å; L645-E648 PolarHBondContact O-N 2.87Å; L646-E648 PolarHBondContact O-N 2.68Å; E648-M650 VanDerWaalsContact C-N 3.33Å; E648-K651 PolarHBondContact O-N 2.97Å; E648-K651 IonicContact OE1-NZ 2.76Å; E648-K651 PolarHBondContact OE1-NZ 2.91Å; E648-K651 WeakPolarHBondContact OE2-CE 3.25Å; E648-K651 IonicContact OE2-NZ 3.21Å; E648-K651 PolarHBondContact OE2-NZ 2.93Å
649I88.6Confident88.4Confident2 Ų248 Ų481%0.0122%0.224CC..Hα-helixtrans-63.2-41.5174.7-66.8173.3000110.4Y352 W367 V644 L645 L646 K651 N652 P653 N660Y352-I649 HydrophobicContact CD2-CG2 4.26Å; Y352-I649 HydrophobicContact CE1-CG2 4.05Å; Y352-I649 HydrophobicContact CE2-CG2 3.7Å; W367-I649 HydrophobicContact CE3-CD1 4.41Å; W367-I649 HydrophobicContact CZ3-CD1 3.86Å; V644-I649 HydrophobicContact CG2-CD1 3.4Å; L645-I649 WeakPolarHBondContact O-CG1 3.38Å; L645-I649 PolarHBondContact O-N 3.31Å; L645-I649 VanDerWaalsContact O-N 3.17Å; L646-I649 HydrophobicContact CD2-CD1 4.47Å; L646-I649 PolarHBondContact O-N 3.11Å; L646-I649 VanDerWaalsContact O-N 3.11Å; I649-K651 PolarHBondContact O-N 2.85Å; I649-N652 CarbonylContact O-C 3.55Å; I649-N652 PolarHBondContact O-N 2.57Å; I649-P653 WeakPolarHBondContact O-CA 3.5Å; I649-N660 HydrophobicContact CD1-CB 4.41Å; I649-N660 HydrophobicContact CG1-CB 4.11Å
650M86.1Confident88.2Confident40 Ų4048.7 Ų48.720%0.19723%0.228CC..THydrogen-bonded Turntrans-70.1-15.3-177.9-68.1-62.6-177.100113.8Y341 Y352 L646 E648Y341-M650 HydrophobicContact CD1-CE 3.75Å; Y341-M650 HydrophobicContact CD1-CG 4.05Å; Y341-M650 HydrophobicContact CD1-SD 4.45Å; Y341-M650 HydrophobicContact CE1-CB 4.34Å; Y341-M650 HydrophobicContact CE1-CE 4.3Å; Y341-M650 HydrophobicContact CE1-CG 3.64Å; Y341-M650 HydrophobicContact CE1-SD 4.48Å; Y341-M650 HydrophobicContact CE2-CG 4.47Å; Y341-M650 HydrophobicContact CG-CE 4.02Å; Y352-M650 HydrophobicContact CD2-CE 3.96Å; Y352-M650 HydrophobicContact CD2-SD 4.37Å; Y352-M650 HydrophobicContact CG-CE 4.42Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 VanDerWaalsContact O-CG 3.25Å; L646-M650 WeakPolarHBondContact O-CG 3.29Å; L646-M650 PolarHBondContact O-N 3.15Å; E648-M650 VanDerWaalsContact C-N 3.33Å
651K82.6Confident88.1Confident125 Ų12548 Ų4854%0.54323%0.225SC..THydrogen-bonded Turntrans-67.7-36.8168.4-66.6176.4-169.1167.30111.9E648 I649E648-K651 PolarHBondContact O-N 2.97Å; E648-K651 IonicContact OE1-NZ 2.76Å; E648-K651 PolarHBondContact OE1-NZ 2.91Å; E648-K651 WeakPolarHBondContact OE2-CE 3.25Å; E648-K651 IonicContact OE2-NZ 3.21Å; E648-K651 PolarHBondContact OE2-NZ 2.93Å; I649-K651 PolarHBondContact O-N 2.85Å
652N86Confident87.9Confident119 Ų11949.8 Ų49.864%0.63623%0.233SC*.SBendtrans-13867.9179.7-76.6-38.8000111I649 E654 R655I649-N652 CarbonylContact O-C 3.55Å; I649-N652 PolarHBondContact O-N 2.57Å; N652-E654 PolarHBondContact O-N 3.34Å; N652-E654 VanDerWaalsContact O-N 3.08Å; N652-R655 PolarHBondContact O-N 2.82Å; N652-R655 VanDerWaalsContact O-N 3.1Å
653P86.6Confident87.7Confident20 Ų2051.9 Ų51.913%0.1325%0.247CC..THydrogen-bonded Turntrans-69.9-12.6-16828.9-36.7000113.6Y352 Y354 I649Y352-P653 HydrophobicContact CE2-CB 4.02Å; Y352-P653 PolarHBondContact OH-O 3.21Å; Y354-P653 HydrophobicContact CD1-CB 3.56Å; Y354-P653 HydrophobicContact CD1-CG 4.06Å; Y354-P653 HydrophobicContact CD2-CB 3.95Å; Y354-P653 HydrophobicContact CD2-CG 3.46Å; Y354-P653 VanDerWaalsContact CD2-CG 3.46Å; Y354-P653 HydrophobicContact CE1-CB 3.69Å; Y354-P653 HydrophobicContact CE1-CG 4.12Å; Y354-P653 HydrophobicContact CE2-CB 4.07Å; Y354-P653 HydrophobicContact CE2-CG 3.54Å; Y354-P653 HydrophobicContact CG-CB 3.7Å; Y354-P653 HydrophobicContact CG-CG 3.74Å; I649-P653 WeakPolarHBondContact O-CA 3.5Å
654E86.9Confident87.6Confident92 Ų9253.7 Ų53.743%0.4326%0.255SS..THydrogen-bonded Turntrans-79.4-23.5175.2-70.4-169.8174.100113.8Y354 K356 K374 N652Y354-E654 VanDerWaalsContact OH-CG 3.28Å; Y354-E654 WeakPolarHBondContact OH-CG 3.41Å; K356-E654 VanDerWaalsContact CE-OE1 3.24Å; K356-E654 WeakPolarHBondContact CE-OE1 3.21Å; K356-E654 IonicContact NZ-OE1 2.66Å; K356-E654 PolarHBondContact NZ-OE1 3.07Å; K374-E654 PolarHBondContact NZ-O 3.3Å; N652-E654 PolarHBondContact O-N 3.34Å; N652-E654 VanDerWaalsContact O-N 3.08Å
655R87.3Confident87.4Confident204 Ų20456 Ų5677%0.7727%0.266SS*.SBendtrans-13171.1-172.4-63.9-174.2-175.1-1711.1109.4N652N652-R655 PolarHBondContact O-N 2.82Å; N652-R655 VanDerWaalsContact O-N 3.1Å
656P87.3Confident87.3Confident16 Ų1656 Ų5610%0.10427%0.265CS..  trans-62.3142.417628.5-35000110.2W367W367-P656 HydrophobicContact CB-CG 4.18Å; W367-P656 HydrophobicContact CD2-CB 3.55Å; W367-P656 HydrophobicContact CD2-CG 3.65Å; W367-P656 HydrophobicContact CE3-CB 3.61Å; W367-P656 HydrophobicContact CE3-CG 4.19Å; W367-P656 HydrophobicContact CG-CB 4.07Å; W367-P656 HydrophobicContact CG-CG 3.62Å; W367-P656 HydrophobicContact CH2-CB 4.13Å; W367-P656 HydrophobicContact CZ2-CB 4.07Å; W367-P656 HydrophobicContact CZ3-CB 3.91Å
657N87Confident87.1Confident70 Ų7061.9 Ų61.937%0.37429%0.288SS..  trans-114136.4179.7-174.12.1000110.1W367 D659 N660W367-N657 WeakPolarHBondContact CH2-O 3.42Å; N657-D659 PolarHBondContact ND2-OD2 2.8Å; N657-D659 PolarHBondContact O-N 2.82Å; N657-D659 PolarHBondContact OD1-N 3.4Å; N657-N660 WeakPolarHBondContact O-CB 3.35Å; N657-N660 PolarHBondContact O-N 3Å
658K86.4Confident87Confident83 Ų8361.9 Ų61.936%0.36129%0.288SS..G310 helixtrans-58.6-26.4175.7-74.4-173.4169.3-174.70113W367 T369 K370 N372 N660 L661W367-K658 HydrophobicContact CZ2-CG 4.01Å; T369-K658 WeakPolarHBondContact O-CE 3.29Å; T369-K658 PolarHBondContact O-NZ 3.35Å; K370-K658 PolarHBondContact O-NZ 2.92Å; N372-K658 HydrophobicContact CB-CD 4.49Å; K658-N660 PolarHBondContact O-N 2.81Å; K658-N660 VanDerWaalsContact O-N 3.08Å; K658-L661 WeakPolarHBondContact O-CB 3.41Å; K658-L661 PolarHBondContact O-N 3.29Å
659D86.1Confident87Confident71 Ų7159.4 Ų59.438%0.3828%0.277SS..G310 helixtrans-61.2-16.7175.3-59.6-23.7000113.5N657 L661 F662N657-D659 PolarHBondContact ND2-OD2 2.8Å; N657-D659 PolarHBondContact O-N 2.82Å; N657-D659 PolarHBondContact OD1-N 3.4Å; D659-L661 VanDerWaalsContact C-N 3.28Å; D659-F662 WeakPolarHBondContact O-CZ 3.35Å
660N86.6Confident86.9Confident17 Ų1763.9 Ų63.99%0.09129%0.293CS..G310 helixtrans-86.10.9177.5-62.1-18.2000112.8L645 I649 N657 K658L645-N660 HydrophobicContact CB-CB 4.28Å; L645-N660 PolarHBondContact N-O 3.08Å; I649-N660 HydrophobicContact CD1-CB 4.41Å; I649-N660 HydrophobicContact CG1-CB 4.11Å; N657-N660 WeakPolarHBondContact O-CB 3.35Å; N657-N660 PolarHBondContact O-N 3Å; K658-N660 PolarHBondContact O-N 2.81Å; K658-N660 VanDerWaalsContact O-N 3.08Å
661L88.9Confident87Confident33 Ų3364.7 Ų64.717%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-107.2130.9176.2-69.7161.8000110.3V350 W367 T369 S643 V644 K658 D659V350-L661 HydrophobicContact CG2-CD2 4.14Å; W367-L661 HydrophobicContact CH2-CD1 3.41Å; W367-L661 VanDerWaalsContact CH2-CD1 3.41Å; W367-L661 HydrophobicContact CH2-CG 3.86Å; W367-L661 HydrophobicContact CZ2-CD1 4.02Å; W367-L661 HydrophobicContact CZ3-CD1 3.84Å; W367-L661 HydrophobicContact CZ3-CD2 4.48Å; W367-L661 HydrophobicContact CZ3-CG 4.07Å; T369-L661 HydrophobicContact CG2-CD1 3.36Å; T369-L661 HydrophobicContact CG2-CD2 4.33Å; T369-L661 HydrophobicContact CG2-CG 4.47Å; S643-L661 WeakPolarHBondContact O-CA 3.42Å; V644-L661 HydrophobicContact CB-CD2 3.77Å; V644-L661 HydrophobicContact CG2-CD2 3.73Å; V644-L661 HydrophobicContact CG2-CG 4.47Å; K658-L661 WeakPolarHBondContact O-CB 3.41Å; K658-L661 PolarHBondContact O-N 3.29Å; D659-L661 VanDerWaalsContact C-N 3.28Å
662F88.8Confident87.2Confident40 Ų4058.7 Ų58.718%0.17527%0.272CS..EExtended strand (participates in β ladder)trans-123.5133.8178.2-63.1-89.8000110.2N50 K642 S643 L645 D659 F664N50-F662 WeakPolarHBondContact O-CE1 3.37Å; N50-F662 VanDerWaalsContact O-CZ 3.22Å; N50-F662 WeakPolarHBondContact O-CZ 3.48Å; K642-F662 CarbonylContact C-O 3.55Å; K642-F662 WeakPolarHBondContact CA-O 3.26Å; S643-F662 PolarHBondContact N-O 3.42Å; S643-F662 PolarHBondContact O-N 3.45Å; S643-F662 PolarHBondContact OG-O 3.04Å; L645-F662 HydrophobicContact CD1-CD2 4.41Å; L645-F662 HydrophobicContact CD1-CE2 3.5Å; L645-F662 HydrophobicContact CD1-CZ 4.24Å; L645-F662 HydrophobicContact CG-CD2 4.24Å; L645-F662 HydrophobicContact CG-CE2 3.79Å; D659-F662 WeakPolarHBondContact O-CZ 3.35Å; F662-F664 HydrophobicContact CB-CD2 4.28Å; F662-F664 HydrophobicContact CB-CE1 4.32Å; F662-F664 HydrophobicContact CB-CE2 3.66Å; F662-F664 HydrophobicContact CB-CZ 3.66Å; F662-F664 HydrophobicContact CD1-CZ 4.48Å; F662-F664 HydrophobicContact CG-CE2 4.5Å; F662-F664 HydrophobicContact CG-CZ 4.13Å
663N90Very high87.2Confident94 Ų9456.9 Ų56.950%0.50326%0.257SS..EExtended strand (participates in β ladder)trans-105.4119.4166.2-62.6-22.8000107.4I641 K642I641-N663 WeakPolarHBondContact O-CA 3.34Å; K642-N663 WeakPolarHBondContact CE-OD1 3.18Å; K642-N663 WeakPolarHBondContact CG-OD1 3.49Å
664F89.5Confident87.3Confident39 Ų3957.7 Ų57.717%0.17127%0.265CS..EExtended strand (participates in β ladder)trans-104.5120.6177-63.4-70.2000109.4M615 I627 T629 E640 I641 S643 F662M615-F664 HydrophobicContact CE-CB 3.94Å; M615-F664 HydrophobicContact CE-CD2 3.59Å; M615-F664 HydrophobicContact CE-CE2 4.26Å; M615-F664 HydrophobicContact CE-CG 3.87Å; I627-F664 HydrophobicContact CD1-CB 4.1Å; I627-F664 HydrophobicContact CD1-CD1 4.44Å; I627-F664 HydrophobicContact CD1-CG 4.37Å; I627-F664 HydrophobicContact CG2-CD1 3.75Å; I627-F664 HydrophobicContact CG2-CE1 3.64Å; I627-F664 HydrophobicContact CG2-CG 4.33Å; I627-F664 HydrophobicContact CG2-CZ 4.11Å; T629-F664 HydrophobicContact CG2-CE2 4.05Å; T629-F664 HydrophobicContact CG2-CZ 4.18Å; E640-F664 WeakPolarHBondContact CA-O 3.39Å; I641-F664 HydrophobicContact CB-CB 4.42Å; I641-F664 PolarHBondContact N-O 2.94Å; I641-F664 PolarHBondContact O-N 2.82Å; S643-F664 VanDerWaalsContact OG-CE2 3.22Å; S643-F664 WeakPolarHBondContact OG-CE2 3.27Å; F662-F664 HydrophobicContact CB-CD2 4.28Å; F662-F664 HydrophobicContact CB-CE1 4.32Å; F662-F664 HydrophobicContact CB-CE2 3.66Å; F662-F664 HydrophobicContact CB-CZ 3.66Å; F662-F664 HydrophobicContact CD1-CZ 4.48Å; F662-F664 HydrophobicContact CG-CE2 4.5Å; F662-F664 HydrophobicContact CG-CZ 4.13Å
665E89.1Confident87.3Confident49 Ų4955.5 Ų55.523%0.22926%0.256CS..EExtended strand (participates in β ladder)trans-81.2130.5172.7-61.8-178.9171.300109.8E640 L669 R670 R673E640-E665 HydrophobicContact CG-CG 4.39Å; E665-L669 HydrophobicContact CB-CB 4.49Å; E665-L669 HydrophobicContact CB-CD2 4.09Å; E665-L669 HydrophobicContact CG-CD2 3.9Å; E665-R670 HydrophobicContact CB-CG 3.65Å; E665-R670 WeakPolarHBondContact O-CD 3.41Å; E665-R670 PolarHBondContact O-NE 2.83Å; E665-R673 VanDerWaalsContact CD-NH1 3.27Å; E665-R673 IonicContact OE1-CZ 3.64Å; E665-R673 IonicContact OE1-NH1 3.2Å; E665-R673 PolarHBondContact OE1-NH1 2.99Å; E665-R673 IonicContact OE1-NH2 2.78Å; E665-R673 PolarHBondContact OE1-NH2 2.97Å; E665-R673 IonicContact OE2-CZ 3.95Å; E665-R673 IonicContact OE2-NH1 2.72Å; E665-R673 PolarHBondContact OE2-NH1 3.26Å; E665-R673 IonicContact OE2-NH2 3.15Å
666I87.4Confident87.3Confident1 Ų146.7 Ų46.71%0.00522%0.224CC..  trans-70.7158.9177.8-66.6173.5000110V617 E624 F636 L639 I641 S668 L669 R670V617-I666 HydrophobicContact CG1-CD1 3.88Å; V617-I666 HydrophobicContact CG1-CG1 4.16Å; V617-I666 HydrophobicContact CG1-CG2 4.17Å; V617-I666 HydrophobicContact CG2-CG1 4.41Å; E624-I666 WeakPolarHBondContact OE1-CG2 3.37Å; E624-I666 VanDerWaalsContact OE2-CG2 3.27Å; E624-I666 WeakPolarHBondContact OE2-CG2 3.41Å; F636-I666 HydrophobicContact CD2-CD1 4.08Å; F636-I666 HydrophobicContact CE1-CD1 4.21Å; F636-I666 HydrophobicContact CE2-CD1 3.06Å; F636-I666 HydrophobicContact CE2-CG1 4.46Å; F636-I666 HydrophobicContact CZ-CD1 3.12Å; L639-I666 WeakPolarHBondContact O-CB 3.37Å; L639-I666 VanDerWaalsContact O-CG1 3.3Å; L639-I666 WeakPolarHBondContact O-CG1 3.36Å; L639-I666 PolarHBondContact O-N 2.88Å; L639-I666 VanDerWaalsContact O-N 3.09Å; I641-I666 HydrophobicContact CD1-CD1 4.11Å; I641-I666 HydrophobicContact CD1-CG1 4.12Å; I641-I666 HydrophobicContact CG1-CD1 4.19Å; I641-I666 HydrophobicContact CG1-CG1 4.4Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.1Å; I666-L669 PolarHBondContact O-N 3.12Å; I666-R670 PolarHBondContact O-N 3.24Å; I666-R670 VanDerWaalsContact O-N 3.13Å
667R85.6Confident87.2Confident125 Ų12552.9 Ų52.947%0.47225%0.251SS..Hα-helixtrans-49-46.7-177.3-179.4177.4176.5-179.13.7113.1E624 L669 R670 D671E624-R667 HydrophobicContact CG-CB 4.47Å; E624-R667 WeakPolarHBondContact OE2-CB 3.47Å; E624-R667 PolarHBondContact OE2-N 3.45Å; R667-L669 VanDerWaalsContact C-N 3.29Å; R667-L669 PolarHBondContact O-N 2.81Å; R667-R670 PolarHBondContact O-N 3.02Å; R667-D671 WeakPolarHBondContact CG-OD2 3.4Å; R667-D671 IonicContact NE-OD2 3.18Å; R667-D671 PolarHBondContact NE-OD2 2.86Å; R667-D671 VanDerWaalsContact NE-OD2 3.15Å; R667-D671 VanDerWaalsContact O-CB 3.32Å; R667-D671 WeakPolarHBondContact O-CB 3.47Å; R667-D671 VanDerWaalsContact O-CG 3.3Å; R667-D671 PolarHBondContact O-N 3.04Å
668S84.6Confident87.2Confident7 Ų757.8 Ų57.85%0.04927%0.269CS..Hα-helixtrans-59.3-36-179.2-63.50000114R619 I666 S672R619-S668 PolarHBondContact NH2-OG 3.27Å; I666-S668 VanDerWaalsContact C-N 3.29Å; I666-S668 PolarHBondContact O-N 3.1Å; S668-S672 VanDerWaalsContact O-CB 3.28Å; S668-S672 WeakPolarHBondContact O-CB 3.34Å; S668-S672 PolarHBondContact O-N 2.96Å; S668-S672 VanDerWaalsContact O-N 3.08Å; S668-S672 PolarHBondContact O-OG 3.34Å
669L86.4Confident87Confident1 Ų157.9 Ų57.91%0.00528%0.276CS..Hα-helixtrans-74.6-42.1178.3-173.264.7000111.3L639 E640 E665 I666 R667 R673 R695 L696 L699L639-L669 HydrophobicContact CB-CB 4.32Å; E640-L669 HydrophobicContact CG-CD2 3.79Å; E665-L669 HydrophobicContact CB-CB 4.49Å; E665-L669 HydrophobicContact CB-CD2 4.09Å; E665-L669 HydrophobicContact CG-CD2 3.9Å; I666-L669 PolarHBondContact O-N 3.12Å; R667-L669 VanDerWaalsContact C-N 3.29Å; R667-L669 PolarHBondContact O-N 2.81Å; L669-R673 PolarHBondContact O-N 3.5Å; L669-R695 HydrophobicContact CD1-CG 4.21Å; L669-L696 HydrophobicContact CB-CD2 4.34Å; L669-L696 HydrophobicContact CD1-CD2 3.69Å; L669-L699 HydrophobicContact CD1-CD2 4.1Å
670R86.9Confident86.8Confident96 Ų9655.3 Ų55.336%0.36227%0.267SS..Hα-helixtrans-62.6-47.7176.1-69.2-172.5-75.3151.11.6112E665 I666 R667 R673 A674E665-R670 HydrophobicContact CB-CG 3.65Å; E665-R670 WeakPolarHBondContact O-CD 3.41Å; E665-R670 PolarHBondContact O-NE 2.83Å; I666-R670 PolarHBondContact O-N 3.24Å; I666-R670 VanDerWaalsContact O-N 3.13Å; R667-R670 PolarHBondContact O-N 3.02Å; R670-R673 PolarHBondContact O-N 3.02Å; R670-A674 WeakPolarHBondContact O-CB 3.38Å; R670-A674 PolarHBondContact O-N 2.58Å
671D86.6Confident86.8Confident56 Ų5655.4 Ų55.430%0.29927%0.268SS..Hα-helixtrans-64.7-43.5179.9-70.4-6.1000110.3R667 R673 A674 L675 F687R667-D671 WeakPolarHBondContact CG-OD2 3.4Å; R667-D671 IonicContact NE-OD2 3.18Å; R667-D671 PolarHBondContact NE-OD2 2.86Å; R667-D671 VanDerWaalsContact NE-OD2 3.15Å; R667-D671 VanDerWaalsContact O-CB 3.32Å; R667-D671 WeakPolarHBondContact O-CB 3.47Å; R667-D671 VanDerWaalsContact O-CG 3.3Å; R667-D671 PolarHBondContact O-N 3.04Å; D671-R673 PolarHBondContact O-N 3.29Å; D671-A674 PolarHBondContact O-N 2.92Å; D671-L675 WeakPolarHBondContact O-CB 3.4Å; D671-L675 VanDerWaalsContact O-CG 3.27Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 3.09Å; D671-F687 HydrophobicContact CB-CE1 4.45Å; D671-F687 HydrophobicContact CB-CZ 4.16Å
672S86.6Confident86.5Confident0 Ų061.6 Ų61.60%030%0.295CS..Hα-helixtrans-60.8-44.7175.9-59.60000112.2S668 L675 I676 F687S668-S672 VanDerWaalsContact O-CB 3.28Å; S668-S672 WeakPolarHBondContact O-CB 3.34Å; S668-S672 PolarHBondContact O-N 2.96Å; S668-S672 VanDerWaalsContact O-N 3.08Å; S668-S672 PolarHBondContact O-OG 3.34Å; S672-L675 PolarHBondContact O-N 3.06Å; S672-I676 VanDerWaalsContact O-CG1 3.25Å; S672-I676 WeakPolarHBondContact O-CG1 3.47Å; S672-I676 PolarHBondContact O-N 3.08Å; S672-F687 WeakPolarHBondContact OG-CD1 3.37Å; S672-F687 VanDerWaalsContact OG-CE1 3.28Å; S672-F687 WeakPolarHBondContact OG-CE1 3.42Å
673R87.4Confident86.2Confident81 Ų8163.3 Ų63.331%0.30631%0.306SS..Hα-helixtrans-63-43.8176.6-170.8178.1-65.1155.14111.5E665 L669 R670 D671 L675 I676 E677 L699E665-R673 VanDerWaalsContact CD-NH1 3.27Å; E665-R673 IonicContact OE1-CZ 3.64Å; E665-R673 IonicContact OE1-NH1 3.2Å; E665-R673 PolarHBondContact OE1-NH1 2.99Å; E665-R673 IonicContact OE1-NH2 2.78Å; E665-R673 PolarHBondContact OE1-NH2 2.97Å; E665-R673 IonicContact OE2-CZ 3.95Å; E665-R673 IonicContact OE2-NH1 2.72Å; E665-R673 PolarHBondContact OE2-NH1 3.26Å; E665-R673 IonicContact OE2-NH2 3.15Å; L669-R673 PolarHBondContact O-N 3.5Å; R670-R673 PolarHBondContact O-N 3.02Å; D671-R673 PolarHBondContact O-N 3.29Å; R673-L675 VanDerWaalsContact C-N 3.34Å; R673-L675 PolarHBondContact O-N 3.21Å; R673-I676 PolarHBondContact O-N 3.22Å; R673-E677 PolarHBondContact O-N 3.11Å; R673-E677 VanDerWaalsContact O-N 3.07Å; R673-L699 HydrophobicContact CB-CD2 4.2Å
674A87.5Confident86.1Confident36 Ų3658.8 Ų58.830%0.29828%0.282SS..Hα-helixtrans-63.5-38.3177.800000112.5R670 D671 K678R670-A674 WeakPolarHBondContact O-CB 3.38Å; R670-A674 PolarHBondContact O-N 2.58Å; D671-A674 PolarHBondContact O-N 2.92Å; A674-K678 VanDerWaalsContact O-CB 3.3Å; A674-K678 WeakPolarHBondContact O-CB 3.48Å; A674-K678 WeakPolarHBondContact O-CG 3.43Å; A674-K678 PolarHBondContact O-N 2.94Å
675L88.4Confident85.9Confident47 Ų4758.1 Ų58.125%0.24628%0.283CS..Hα-helixtrans-65.2-43.9175.5-73.9171.4000111.7D671 S672 R673 E677 V679 G680 A684 F687D671-L675 WeakPolarHBondContact O-CB 3.4Å; D671-L675 VanDerWaalsContact O-CG 3.27Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 3.09Å; S672-L675 PolarHBondContact O-N 3.06Å; R673-L675 VanDerWaalsContact C-N 3.34Å; R673-L675 PolarHBondContact O-N 3.21Å; L675-E677 VanDerWaalsContact C-N 3.34Å; L675-E677 PolarHBondContact O-N 3.13Å; L675-V679 HydrophobicContact CD2-CB 4.46Å; L675-V679 HydrophobicContact CD2-CG2 3.92Å; L675-V679 WeakPolarHBondContact O-CB 3.03Å; L675-V679 PolarHBondContact O-N 3.47Å; L675-G680 PolarHBondContact O-N 3.06Å; L675-G680 VanDerWaalsContact O-N 3.08Å; L675-A684 HydrophobicContact CB-CB 4.22Å; L675-F687 HydrophobicContact CD1-CB 3.81Å; L675-F687 HydrophobicContact CD1-CD1 4.16Å; L675-F687 HydrophobicContact CD1-CD2 4.15Å; L675-F687 HydrophobicContact CD1-CG 3.76Å
676I87.4Confident85.8Confident18 Ų1861.5 Ų61.59%0.09230%0.298CS..Hα-helixtrans-60.4-42.6177.4-71.8168.1000111.7S672 R673 A684 L699 A703S672-I676 VanDerWaalsContact O-CG1 3.25Å; S672-I676 WeakPolarHBondContact O-CG1 3.47Å; S672-I676 PolarHBondContact O-N 3.08Å; R673-I676 PolarHBondContact O-N 3.22Å; I676-A684 HydrophobicContact CG1-CB 3.54Å; I676-L699 HydrophobicContact CD1-CD2 3.91Å; I676-L699 HydrophobicContact CD1-CG 3.82Å; I676-A703 HydrophobicContact CD1-CB 4.21Å; I676-A703 HydrophobicContact CG2-CB 3.42Å; I676-A703 VanDerWaalsContact CG2-CB 3.42Å
677E84.8Confident85.7Confident147 Ų14763.8 Ų63.869%0.68731%0.308SS*.Hα-helixtrans-74.8-41.4-178.6-74.5179-17700113R673 L675R673-E677 PolarHBondContact O-N 3.11Å; R673-E677 VanDerWaalsContact O-N 3.07Å; L675-E677 VanDerWaalsContact C-N 3.34Å; L675-E677 PolarHBondContact O-N 3.13Å
678K85.9Confident85.8Confident172 Ų17257.8 Ų57.875%0.74829%0.286SS*.Hα-helixtrans-97.9-34-168.8-65.2-179.7-179.9176.50114.9A674A674-K678 VanDerWaalsContact O-CB 3.3Å; A674-K678 WeakPolarHBondContact O-CB 3.48Å; A674-K678 WeakPolarHBondContact O-CG 3.43Å; A674-K678 PolarHBondContact O-N 2.94Å
679V82.4Confident85.9Confident85 Ų8561.9 Ų61.952%0.51530%0.304SS..THydrogen-bonded Turntrans-110.8-51.3-167.3-1700000110.9L675 D683L675-V679 HydrophobicContact CD2-CB 4.46Å; L675-V679 HydrophobicContact CD2-CG2 3.92Å; L675-V679 WeakPolarHBondContact O-CB 3.03Å; L675-V679 PolarHBondContact O-N 3.47Å; V679-D683 HydrophobicContact CG1-CB 4.09Å; V679-D683 WeakPolarHBondContact CG1-OD2 3.41Å
680G81.8Confident85.8Confident18 Ų1868 Ų6819%0.18634%0.336CS..  trans146.2175.2-179.600000113.4L675 A684L675-G680 PolarHBondContact O-N 3.06Å; L675-G680 VanDerWaalsContact O-N 3.08Å; G680-A684 WeakPolarHBondContact O-CB 3.22Å
681I85.9Confident85.6Confident19 Ų1965.3 Ų65.310%0.09733%0.329CS..Hα-helixtrans-76.5-32.7-178.1-65.7178.1000111.4A684 S685 L700 A704 K707 T712I681-A684 PolarHBondContact O-N 3.45Å; I681-S685 WeakPolarHBondContact O-CB 2.81Å; I681-S685 PolarHBondContact O-N 3.46Å; I681-L700 HydrophobicContact CG2-CD1 3.83Å; I681-A704 HydrophobicContact CD1-CB 4.29Å; I681-K707 HydrophobicContact CD1-CB 4.16Å; I681-K707 HydrophobicContact CD1-CD 3.69Å; I681-K707 HydrophobicContact CD1-CG 4.16Å; I681-K707 HydrophobicContact CG1-CD 4.29Å; I681-T712 HydrophobicContact CG2-CG2 3.78Å
682E83.3Confident85.4Confident162 Ų16267 Ų6776%0.75734%0.344SS*.Hα-helixtrans-66.1-51.9-176.2-65.8179.4179.300112.4A684 S685 Q686E682-A684 VanDerWaalsContact C-N 3.31Å; E682-A684 PolarHBondContact O-N 3.04Å; E682-S685 VanDerWaalsContact O-CB 3.32Å; E682-S685 WeakPolarHBondContact O-CB 3.48Å; E682-S685 PolarHBondContact O-N 2.92Å; E682-S685 VanDerWaalsContact O-N 3.14Å; E682-Q686 PolarHBondContact O-N 3.3Å; E682-Q686 VanDerWaalsContact O-N 3.12Å
683D83.8Confident85.3Confident76 Ų7667.8 Ų67.841%0.40635%0.347SS..Hα-helixtrans-66.9-34.3177.3-67.3-21.6000111.9V679 S685 Q686 F687V679-D683 HydrophobicContact CG1-CB 4.09Å; V679-D683 WeakPolarHBondContact CG1-OD2 3.41Å; D683-S685 VanDerWaalsContact C-N 3.33Å; D683-Q686 PolarHBondContact O-N 3.23Å; D683-F687 PolarHBondContact O-N 3.48Å; D683-F687 VanDerWaalsContact O-N 3.07Å
684A86.1Confident85.3Confident0 Ų067.5 Ų67.50%036%0.356CS..Hα-helixtrans-64.1-38.4172.300000111.7L675 I676 G680 I681 E682 F687 I688 L700L675-A684 HydrophobicContact CB-CB 4.22Å; I676-A684 HydrophobicContact CG1-CB 3.54Å; G680-A684 WeakPolarHBondContact O-CB 3.22Å; I681-A684 PolarHBondContact O-N 3.45Å; E682-A684 VanDerWaalsContact C-N 3.31Å; E682-A684 PolarHBondContact O-N 3.04Å; A684-F687 PolarHBondContact O-N 3.09Å; A684-I688 WeakPolarHBondContact O-CB 3.35Å; A684-I688 WeakPolarHBondContact O-CD1 3.2Å; A684-I688 WeakPolarHBondContact O-CG1 3.5Å; A684-I688 PolarHBondContact O-N 3.07Å; A684-I688 VanDerWaalsContact O-N 3.09Å; A684-L700 HydrophobicContact CB-CD1 4.19Å
685S85.4Confident85.2Confident25 Ų2569 Ų6918%0.17535%0.354CS..Hα-helixtrans-61.3-47.9175.3-168.20000110.9I681 E682 D683 F687 I688 E689I681-S685 WeakPolarHBondContact O-CB 2.81Å; I681-S685 PolarHBondContact O-N 3.46Å; E682-S685 VanDerWaalsContact O-CB 3.32Å; E682-S685 WeakPolarHBondContact O-CB 3.48Å; E682-S685 PolarHBondContact O-N 2.92Å; E682-S685 VanDerWaalsContact O-N 3.14Å; D683-S685 VanDerWaalsContact C-N 3.33Å; S685-F687 PolarHBondContact O-N 2.93Å; S685-I688 PolarHBondContact O-N 3.33Å; S685-I688 VanDerWaalsContact O-N 3.16Å; S685-E689 WeakPolarHBondContact O-CG 3.24Å; S685-E689 PolarHBondContact O-N 3.18Å
686Q86.9Confident85.2Confident119 Ų11966.8 Ų66.856%0.55634%0.342SS*.Hα-helixtrans-58.3-46.4177-69.4-179.13.400112.3E682 D683 I688 E689 D690E682-Q686 PolarHBondContact O-N 3.3Å; E682-Q686 VanDerWaalsContact O-N 3.12Å; D683-Q686 PolarHBondContact O-N 3.23Å; Q686-I688 VanDerWaalsContact C-N 3.27Å; Q686-I688 PolarHBondContact O-N 3.41Å; Q686-E689 WeakPolarHBondContact O-CB 3.3Å; Q686-E689 PolarHBondContact O-N 2.97Å; Q686-E689 VanDerWaalsContact O-N 3.14Å; Q686-D690 PolarHBondContact O-N 2.95Å
687F87.1Confident85.3Confident49 Ų4966.6 Ų66.622%0.21534%0.341CS..Hα-helixtrans-59.7-37.7177.5-179.9-96.4000112.9D671 S672 L675 D683 A684 S685 D690 N691D671-F687 HydrophobicContact CB-CE1 4.45Å; D671-F687 HydrophobicContact CB-CZ 4.16Å; S672-F687 WeakPolarHBondContact OG-CD1 3.37Å; S672-F687 VanDerWaalsContact OG-CE1 3.28Å; S672-F687 WeakPolarHBondContact OG-CE1 3.42Å; L675-F687 HydrophobicContact CD1-CB 3.81Å; L675-F687 HydrophobicContact CD1-CD1 4.16Å; L675-F687 HydrophobicContact CD1-CD2 4.15Å; L675-F687 HydrophobicContact CD1-CG 3.76Å; D683-F687 PolarHBondContact O-N 3.48Å; D683-F687 VanDerWaalsContact O-N 3.07Å; A684-F687 PolarHBondContact O-N 3.09Å; S685-F687 PolarHBondContact O-N 2.93Å; F687-D690 PolarHBondContact O-N 2.9Å; F687-N691 PolarHBondContact O-N 3.35Å; F687-N691 VanDerWaalsContact O-N 3.08Å; F687-N691 PolarHBondContact O-ND2 3.5Å; F687-N691 VanDerWaalsContact O-ND2 3.15Å
688I86.6Confident85.4Confident0 Ų061.6 Ų61.60%032%0.317CS..Hα-helixtrans-75.9-30.3178.8-64.1168.9000111.1A684 S685 Q686 N691 P692 L696 W697 L700A684-I688 WeakPolarHBondContact O-CB 3.35Å; A684-I688 WeakPolarHBondContact O-CD1 3.2Å; A684-I688 WeakPolarHBondContact O-CG1 3.5Å; A684-I688 PolarHBondContact O-N 3.07Å; A684-I688 VanDerWaalsContact O-N 3.09Å; S685-I688 PolarHBondContact O-N 3.33Å; S685-I688 VanDerWaalsContact O-N 3.16Å; Q686-I688 VanDerWaalsContact C-N 3.27Å; Q686-I688 PolarHBondContact O-N 3.41Å; I688-N691 CarbonylContact O-C 3.59Å; I688-N691 PolarHBondContact O-N 3.35Å; I688-P692 VanDerWaalsContact O-CA 3.24Å; I688-P692 WeakPolarHBondContact O-CA 3.45Å; I688-P692 VanDerWaalsContact O-N 3.15Å; I688-L696 HydrophobicContact CD1-CB 4.22Å; I688-L696 HydrophobicContact CG1-CB 4.01Å; I688-L696 HydrophobicContact CG2-CB 3.78Å; I688-W697 HydrophobicContact CG2-CD2 3.6Å; I688-W697 HydrophobicContact CG2-CE3 3.93Å; I688-W697 HydrophobicContact CG2-CG 4.04Å; I688-W697 HydrophobicContact CG2-CH2 4.01Å; I688-W697 HydrophobicContact CG2-CZ2 3.74Å; I688-W697 HydrophobicContact CG2-CZ3 4.13Å; I688-L700 HydrophobicContact CD1-CB 3.79Å; I688-L700 HydrophobicContact CD1-CD1 4.25Å; I688-L700 HydrophobicContact CD1-CD2 4.28Å; I688-L700 HydrophobicContact CD1-CG 4.34Å
689E86.1Confident85.5Confident92 Ų9254.3 Ų54.343%0.4329%0.286SS..Hα-helixtrans-63.5-41.3169.4-71.5-163.814300112.2S685 Q686 N691 W697 R719S685-E689 WeakPolarHBondContact O-CG 3.24Å; S685-E689 PolarHBondContact O-N 3.18Å; Q686-E689 WeakPolarHBondContact O-CB 3.3Å; Q686-E689 PolarHBondContact O-N 2.97Å; Q686-E689 VanDerWaalsContact O-N 3.14Å; E689-N691 VanDerWaalsContact C-N 3.28Å; E689-N691 PolarHBondContact O-N 2.93Å; E689-W697 HydrophobicContact CG-CH2 3.52Å; E689-W697 HydrophobicContact CG-CZ2 3.95Å; E689-R719 IonicContact OE1-CZ 3.94Å; E689-R719 IonicContact OE1-NH1 3.8Å; E689-R719 PolarHBondContact OE1-NH1 3.21Å; E689-R719 IonicContact OE1-NH2 2.91Å; E689-R719 PolarHBondContact OE1-NH2 2.84Å
690D84.8Confident85.8Confident129 Ų12950.3 Ų50.369%0.6926%0.262SS*.Hα-helixtrans-70.5-25.8176.1-68.3-23.3000112.4Q686 F687Q686-D690 PolarHBondContact O-N 2.95Å; F687-D690 PolarHBondContact O-N 2.9Å
691N82.8Confident86.1Confident40 Ų4049.4 Ų49.421%0.21425%0.253CS..SBendtrans-129.766.5-178.1-63.6-91.3000111.5R619 F687 I688 E689 H693 L696R619-N691 PolarHBondContact NH1-OD1 3.3Å; F687-N691 PolarHBondContact O-N 3.35Å; F687-N691 VanDerWaalsContact O-N 3.08Å; F687-N691 PolarHBondContact O-ND2 3.5Å; F687-N691 VanDerWaalsContact O-ND2 3.15Å; I688-N691 CarbonylContact O-C 3.59Å; I688-N691 PolarHBondContact O-N 3.35Å; E689-N691 VanDerWaalsContact C-N 3.28Å; E689-N691 PolarHBondContact O-N 2.93Å; N691-H693 PolarHBondContact O-N 2.98Å; N691-L696 WeakPolarHBondContact O-CD1 3.23Å
692P82.1Confident86.2Confident93 Ų9350.8 Ų50.860%0.60426%0.259SS*.  trans-70.1121.8-168.627.4-34.1000111.7I688I688-P692 VanDerWaalsContact O-CA 3.24Å; I688-P692 WeakPolarHBondContact O-CA 3.45Å; I688-P692 VanDerWaalsContact O-N 3.15Å
693H85.3Confident86.4Confident15 Ų1543.5 Ų43.57%0.06923%0.227CC..  trans-145.9137.5172.6-166.8-86.7000110.3D602 L639 N691 R695 L696 W697D602-H693 IonicContact OD2-CE1 2.77Å; D602-H693 PolarHBondContact OD2-CE1 2.91Å; D602-H693 IonicContact OD2-NE2 3.19Å; D602-H693 PolarHBondContact OD2-NE2 2.82Å; L639-H693 HydrophobicContact CD1-CB 3.98Å; N691-H693 PolarHBondContact O-N 2.98Å; H693-R695 VanDerWaalsContact C-N 3.26Å; H693-R695 WeakPolarHBondContact ND1-CB 3.49Å; H693-R695 PolarHBondContact ND1-N 3.2Å; H693-R695 VanDerWaalsContact ND1-N 3.18Å; H693-R695 PolarHBondContact O-N 3.42Å; H693-L696 HydrophobicContact CB-CB 4.36Å; H693-L696 HydrophobicContact CB-CD1 4Å; H693-L696 HydrophobicContact CB-CG 4Å; H693-L696 PolarHBondContact O-N 3.17Å; H693-W697 PolarHBondContact O-N 3.5Å; H693-W697 VanDerWaalsContact O-N 3.09Å
694P86.1Confident86.6Confident76 Ų7639.9 Ų39.949%0.49421%0.207SC..Hα-helixtrans-52.3-42-179.4-28.135.1000113.5L696 W697 H698 C720P694-L696 VanDerWaalsContact C-N 3.35Å; P694-L696 PolarHBondContact O-N 3Å; P694-W697 PolarHBondContact O-N 3.23Å; P694-H698 WeakPolarHBondContact O-CB 3.5Å; P694-H698 PolarHBondContact O-N 3.34Å; P694-C720 PolarHBondContact O-SG 3.27Å
695R86.9Confident86.7Confident66 Ų6640 Ų4025%0.24921%0.208CC..Hα-helixtrans-60.1-39.5176.5-173.562.8172.3139.61.6113.9D638 E640 L669 H693 H698 L699D638-R695 HydrophobicContact CB-CB 4.29Å; D638-R695 HydrophobicContact CB-CG 4.22Å; D638-R695 WeakPolarHBondContact O-CG 3.42Å; E640-R695 IonicContact OE1-NH2 2.93Å; L669-R695 HydrophobicContact CD1-CG 4.21Å; H693-R695 VanDerWaalsContact C-N 3.26Å; H693-R695 WeakPolarHBondContact ND1-CB 3.49Å; H693-R695 PolarHBondContact ND1-N 3.2Å; H693-R695 VanDerWaalsContact ND1-N 3.18Å; H693-R695 PolarHBondContact O-N 3.42Å; R695-H698 PolarHBondContact O-N 3.49Å; R695-L699 PolarHBondContact O-N 3.08Å
696L87.9Confident86.7Confident1 Ų144.2 Ų44.21%0.00523%0.225CC..Hα-helixtrans-71.8-42.5-179.8-64.1179000111L639 L669 I688 N691 H693 P694 H698 L699 L700L639-L696 HydrophobicContact CD1-CD1 3.81Å; L639-L696 HydrophobicContact CD1-CD2 3.76Å; L639-L696 HydrophobicContact CD1-CG 3.57Å; L669-L696 HydrophobicContact CB-CD2 4.34Å; L669-L696 HydrophobicContact CD1-CD2 3.69Å; I688-L696 HydrophobicContact CD1-CB 4.22Å; I688-L696 HydrophobicContact CG1-CB 4.01Å; I688-L696 HydrophobicContact CG2-CB 3.78Å; N691-L696 WeakPolarHBondContact O-CD1 3.23Å; H693-L696 HydrophobicContact CB-CB 4.36Å; H693-L696 HydrophobicContact CB-CD1 4Å; H693-L696 HydrophobicContact CB-CG 4Å; H693-L696 PolarHBondContact O-N 3.17Å; P694-L696 VanDerWaalsContact C-N 3.35Å; P694-L696 PolarHBondContact O-N 3Å; L696-H698 PolarHBondContact O-N 3.17Å; L696-L699 WeakPolarHBondContact O-CB 3.25Å; L696-L699 PolarHBondContact O-N 2.56Å; L696-L700 PolarHBondContact O-N 3.17Å
697W89.1Confident86.7Confident15 Ų1544.5 Ų44.56%0.05722%0.224CC..Hα-helixtrans-58.6-39.2171.8-73.1114.7000111.6I688 E689 H693 P694 L700 A701 A716 R719 C720I688-W697 HydrophobicContact CG2-CD2 3.6Å; I688-W697 HydrophobicContact CG2-CE3 3.93Å; I688-W697 HydrophobicContact CG2-CG 4.04Å; I688-W697 HydrophobicContact CG2-CH2 4.01Å; I688-W697 HydrophobicContact CG2-CZ2 3.74Å; I688-W697 HydrophobicContact CG2-CZ3 4.13Å; E689-W697 HydrophobicContact CG-CH2 3.52Å; E689-W697 HydrophobicContact CG-CZ2 3.95Å; H693-W697 PolarHBondContact O-N 3.5Å; H693-W697 VanDerWaalsContact O-N 3.09Å; P694-W697 PolarHBondContact O-N 3.23Å; W697-L700 HydrophobicContact CE3-CD2 3.89Å; W697-L700 HydrophobicContact CZ3-CD2 3.67Å; W697-L700 PolarHBondContact O-N 3.5Å; W697-A701 WeakPolarHBondContact O-CB 3.43Å; W697-A701 PolarHBondContact O-N 3.31Å; W697-A716 HydrophobicContact CE3-CB 4.17Å; W697-A716 WeakPolarHBondContact O-CB 3.47Å; W697-R719 HydrophobicContact CB-CB 4.48Å; W697-R719 HydrophobicContact CD2-CB 3.85Å; W697-R719 HydrophobicContact CD2-CG 4.46Å; W697-R719 HydrophobicContact CE3-CB 4.28Å; W697-R719 HydrophobicContact CG-CB 3.93Å; W697-R719 VanDerWaalsContact CZ2-CD 3.48Å; W697-C720 WeakPolarHBondContact CB-SG 3.1Å
698H87.4Confident86.6Confident42 Ų4243.9 Ų43.919%0.19422%0.223CC..Hα-helixtrans-65.3-45.7176.4-168.1-76.4000110.8P694 R695 L696 L700 A701 E702 C720 D722P694-H698 WeakPolarHBondContact O-CB 3.5Å; P694-H698 PolarHBondContact O-N 3.34Å; R695-H698 PolarHBondContact O-N 3.49Å; L696-H698 PolarHBondContact O-N 3.17Å; H698-L700 VanDerWaalsContact C-N 3.28Å; H698-L700 PolarHBondContact O-N 3.21Å; H698-A701 WeakPolarHBondContact O-CB 3.1Å; H698-A701 PolarHBondContact O-N 3.11Å; H698-A701 VanDerWaalsContact O-N 3.12Å; H698-E702 VanDerWaalsContact CE1-CD 3.45Å; H698-E702 IonicContact CE1-OE1 3.33Å; H698-E702 PolarHBondContact CE1-OE1 3.38Å; H698-E702 VanDerWaalsContact ND1-CD 3.34Å; H698-E702 IonicContact ND1-OE1 2.7Å; H698-E702 PolarHBondContact ND1-OE1 3.18Å; H698-E702 IonicContact ND1-OE2 3.92Å; H698-E702 VanDerWaalsContact O-CG 3.31Å; H698-E702 WeakPolarHBondContact O-CG 3.32Å; H698-E702 PolarHBondContact O-N 3.36Å; H698-C720 PolarHBondContact N-SG 2.98Å; H698-D722 IonicContact CD2-OD2 2.95Å; H698-D722 IonicContact NE2-OD2 3.15Å
699L87.4Confident86.6Confident19 Ų1946.5 Ų46.510%0.09924%0.237CC..Hα-helixtrans-57.5-41.3175.9-17571.7000112L669 R673 I676 R695 L696 E702 A703L669-L699 HydrophobicContact CD1-CD2 4.1Å; R673-L699 HydrophobicContact CB-CD2 4.2Å; I676-L699 HydrophobicContact CD1-CD2 3.91Å; I676-L699 HydrophobicContact CD1-CG 3.82Å; R695-L699 PolarHBondContact O-N 3.08Å; L696-L699 WeakPolarHBondContact O-CB 3.25Å; L696-L699 PolarHBondContact O-N 2.56Å; L699-E702 PolarHBondContact O-N 2.77Å; L699-A703 WeakPolarHBondContact O-CB 3.31Å; L699-A703 PolarHBondContact O-N 3.05Å
700L88.8Confident86.7Confident0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-63.8-44.8174.8-173.268.7000111.6I681 A684 I688 L696 W697 H698 E702 A703 A704 T712 A716I681-L700 HydrophobicContact CG2-CD1 3.83Å; A684-L700 HydrophobicContact CB-CD1 4.19Å; I688-L700 HydrophobicContact CD1-CB 3.79Å; I688-L700 HydrophobicContact CD1-CD1 4.25Å; I688-L700 HydrophobicContact CD1-CD2 4.28Å; I688-L700 HydrophobicContact CD1-CG 4.34Å; L696-L700 PolarHBondContact O-N 3.17Å; W697-L700 HydrophobicContact CE3-CD2 3.89Å; W697-L700 HydrophobicContact CZ3-CD2 3.67Å; W697-L700 PolarHBondContact O-N 3.5Å; H698-L700 VanDerWaalsContact C-N 3.28Å; H698-L700 PolarHBondContact O-N 3.21Å; L700-E702 VanDerWaalsContact C-N 3.31Å; L700-E702 PolarHBondContact O-N 3.3Å; L700-A703 PolarHBondContact O-N 3.13Å; L700-A704 VanDerWaalsContact O-CB 3.3Å; L700-A704 WeakPolarHBondContact O-CB 3.41Å; L700-A704 PolarHBondContact O-N 2.99Å; L700-T712 HydrophobicContact CD2-CG2 4.37Å; L700-T712 HydrophobicContact CG-CG2 4.44Å; L700-A716 HydrophobicContact CB-CB 4.47Å; L700-A716 HydrophobicContact CD2-CB 4.34Å
701A88.4Confident86.9Confident0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-60.8-41.4177.500000111.7W697 H698 A704 L705 A716 F717W697-A701 WeakPolarHBondContact O-CB 3.43Å; W697-A701 PolarHBondContact O-N 3.31Å; H698-A701 WeakPolarHBondContact O-CB 3.1Å; H698-A701 PolarHBondContact O-N 3.11Å; H698-A701 VanDerWaalsContact O-N 3.12Å; A701-A704 PolarHBondContact O-N 3.2Å; A701-L705 WeakPolarHBondContact O-CB 3.42Å; A701-L705 WeakPolarHBondContact O-CG 3.33Å; A701-L705 PolarHBondContact O-N 3.03Å; A701-A716 HydrophobicContact CB-CB 3.63Å; A701-F717 HydrophobicContact CB-CD1 3.77Å; A701-F717 HydrophobicContact CB-CD2 4.02Å; A701-F717 HydrophobicContact CB-CE1 3.61Å; A701-F717 HydrophobicContact CB-CE2 3.84Å; A701-F717 HydrophobicContact CB-CG 3.97Å; A701-F717 HydrophobicContact CB-CZ 3.63Å
702E87.8Confident87.1Confident47 Ų4745.1 Ų45.122%0.2223%0.225CC..Hα-helixtrans-63.9-46.8177-68.6-174.6140.600111.7H698 L699 L700 A704 L705 Q706 F749H698-E702 VanDerWaalsContact CE1-CD 3.45Å; H698-E702 IonicContact CE1-OE1 3.33Å; H698-E702 PolarHBondContact CE1-OE1 3.38Å; H698-E702 VanDerWaalsContact ND1-CD 3.34Å; H698-E702 IonicContact ND1-OE1 2.7Å; H698-E702 PolarHBondContact ND1-OE1 3.18Å; H698-E702 IonicContact ND1-OE2 3.92Å; H698-E702 VanDerWaalsContact O-CG 3.31Å; H698-E702 WeakPolarHBondContact O-CG 3.32Å; H698-E702 PolarHBondContact O-N 3.36Å; L699-E702 PolarHBondContact O-N 2.77Å; L700-E702 VanDerWaalsContact C-N 3.31Å; L700-E702 PolarHBondContact O-N 3.3Å; E702-A704 VanDerWaalsContact C-N 3.34Å; E702-A704 PolarHBondContact O-N 2.84Å; E702-L705 PolarHBondContact O-N 3.12Å; E702-Q706 WeakPolarHBondContact O-CG 3.34Å; E702-Q706 PolarHBondContact O-N 3.07Å; E702-F749 HydrophobicContact CB-CE1 3.62Å; E702-F749 HydrophobicContact CB-CZ 3.81Å; E702-F749 HydrophobicContact CG-CE1 3.6Å; E702-F749 HydrophobicContact CG-CZ 4.17Å; E702-F749 WeakPolarHBondContact O-CZ 3.37Å
703A87.3Confident87.4Confident10 Ų1040.7 Ų40.78%0.08320%0.197CC..Hα-helixtrans-63.4-40177.100000112.3I676 L699 L700 Q706 K707I676-A703 HydrophobicContact CD1-CB 4.21Å; I676-A703 HydrophobicContact CG2-CB 3.42Å; I676-A703 VanDerWaalsContact CG2-CB 3.42Å; L699-A703 WeakPolarHBondContact O-CB 3.31Å; L699-A703 PolarHBondContact O-N 3.05Å; L700-A703 PolarHBondContact O-N 3.13Å; A703-Q706 PolarHBondContact O-N 3.4Å; A703-K707 PolarHBondContact O-N 3.19Å
704A88.8Confident87.5Confident0 Ų043.2 Ų43.20%021%0.209CC..Hα-helixtrans-64.5-42.7175.600000112I681 L700 A701 E702 Q706 K707 L708 D709 T712 A713I681-A704 HydrophobicContact CD1-CB 4.29Å; L700-A704 VanDerWaalsContact O-CB 3.3Å; L700-A704 WeakPolarHBondContact O-CB 3.41Å; L700-A704 PolarHBondContact O-N 2.99Å; A701-A704 PolarHBondContact O-N 3.2Å; E702-A704 VanDerWaalsContact C-N 3.34Å; E702-A704 PolarHBondContact O-N 2.84Å; A704-Q706 PolarHBondContact O-N 3.01Å; A704-K707 CarbonylContact O-C 3.54Å; A704-K707 PolarHBondContact O-N 3.47Å; A704-L708 PolarHBondContact O-N 2.99Å; A704-D709 HydrophobicContact CB-CB 4.35Å; A704-D709 PolarHBondContact O-N 3.05Å; A704-T712 HydrophobicContact CB-CG2 4.37Å; A704-A713 HydrophobicContact CB-CB 3.93Å
705L88.5Confident87.7Confident1 Ų145.2 Ų45.21%0.00521%0.211CC..Hα-helixtrans-60-41.9173.7-82.3179.1000112.7A701 E702 K707 L708 L710 A713 F717 F728 V729 L732 V745 Y748 F749A701-L705 WeakPolarHBondContact O-CB 3.42Å; A701-L705 WeakPolarHBondContact O-CG 3.33Å; A701-L705 PolarHBondContact O-N 3.03Å; E702-L705 PolarHBondContact O-N 3.12Å; L705-K707 VanDerWaalsContact C-N 3.3Å; L705-K707 PolarHBondContact O-N 2.8Å; L705-L708 PolarHBondContact O-N 2.95Å; L705-L710 HydrophobicContact CD2-CD2 4.48Å; L705-A713 HydrophobicContact CD2-CB 4.12Å; L705-A713 HydrophobicContact CG-CB 4.04Å; L705-F717 HydrophobicContact CD1-CE2 3.62Å; L705-F717 HydrophobicContact CD1-CZ 3.59Å; L705-F717 HydrophobicContact CG-CE2 4.04Å; L705-F717 HydrophobicContact CG-CZ 4.4Å; L705-F728 HydrophobicContact CD1-CD1 4.32Å; L705-F728 HydrophobicContact CD1-CE1 4.3Å; L705-F728 HydrophobicContact CD2-CE1 4.4Å; L705-V729 HydrophobicContact CD2-CG2 3.9Å; L705-L732 HydrophobicContact CD2-CD1 3.75Å; L705-V745 HydrophobicContact CB-CG1 4.44Å; L705-Y748 HydrophobicContact CD1-CD1 4.08Å; L705-Y748 HydrophobicContact CD1-CE1 3.94Å; L705-F749 HydrophobicContact CB-CE2 4.18Å; L705-F749 HydrophobicContact CB-CZ 4.09Å; L705-F749 HydrophobicContact CD1-CZ 4.37Å
706Q85.6Confident87.7Confident114 Ų11442.1 Ų42.153%0.53320%0.2SC..Hα-helixtrans-63.9-34.9177.8-71.6-178.77.800112.6E702 A703 A704 L708 F749E702-Q706 WeakPolarHBondContact O-CG 3.34Å; E702-Q706 PolarHBondContact O-N 3.07Å; A703-Q706 PolarHBondContact O-N 3.4Å; A704-Q706 PolarHBondContact O-N 3.01Å; Q706-L708 VanDerWaalsContact C-N 3.29Å; Q706-F749 HydrophobicContact CG-CD2 4.19Å; Q706-F749 HydrophobicContact CG-CE2 3.49Å; Q706-F749 VanDerWaalsContact CG-CE2 3.49Å; Q706-F749 HydrophobicContact CG-CZ 3.91Å
707K85.3Confident87.8Confident125 Ų12542.1 Ų42.154%0.54320%0.2SC..THydrogen-bonded Turntrans-86.95.6174-60.2-165.3-167.1172.60113.5I681 A703 A704 L705 D709I681-K707 HydrophobicContact CD1-CB 4.16Å; I681-K707 HydrophobicContact CD1-CD 3.69Å; I681-K707 HydrophobicContact CD1-CG 4.16Å; I681-K707 HydrophobicContact CG1-CD 4.29Å; A703-K707 PolarHBondContact O-N 3.19Å; A704-K707 CarbonylContact O-C 3.54Å; A704-K707 PolarHBondContact O-N 3.47Å; L705-K707 VanDerWaalsContact C-N 3.3Å; L705-K707 PolarHBondContact O-N 2.8Å; K707-D709 PolarHBondContact O-N 2.74Å
708L84.9Confident87.7Confident36 Ų3645.3 Ų45.319%0.18822%0.221CC..THydrogen-bonded Turntrans58.423.4-176.6-61.2171.8000115A704 L705 Q706 L710 E738 K741 Q742 V745A704-L708 PolarHBondContact O-N 2.99Å; L705-L708 PolarHBondContact O-N 2.95Å; Q706-L708 VanDerWaalsContact C-N 3.29Å; L708-L710 PolarHBondContact O-N 3.12Å; L708-L710 VanDerWaalsContact O-N 3.09Å; L708-E738 HydrophobicContact CD1-CG 3.66Å; L708-K741 HydrophobicContact CD2-CB 3.9Å; L708-Q742 HydrophobicContact CD1-CG 3.91Å; L708-V745 HydrophobicContact CD2-CG2 4.21Å
709D87.3Confident87.6Confident56 Ų5648.9 Ų48.930%0.29923%0.233SC..  trans-81.685.2171.6-176.34.3000110.5A704 K707 K711 T712 A713A704-D709 HydrophobicContact CB-CB 4.35Å; A704-D709 PolarHBondContact O-N 3.05Å; K707-D709 PolarHBondContact O-N 2.74Å; D709-K711 VanDerWaalsContact C-N 3.27Å; D709-K711 PolarHBondContact O-N 2.78Å; D709-K711 PolarHBondContact OD1-N 3.18Å; D709-T712 PolarHBondContact OD1-N 3.29Å; D709-T712 VanDerWaalsContact OD2-CB 3.23Å; D709-T712 WeakPolarHBondContact OD2-CB 3.33Å; D709-T712 PolarHBondContact OD2-OG1 3.02Å; D709-A713 VanDerWaalsContact O-CB 3.3Å; D709-A713 WeakPolarHBondContact O-CB 3.24Å; D709-A713 PolarHBondContact O-N 3.25Å; D709-A713 VanDerWaalsContact O-N 3.13Å
710L88.3Confident87.3Confident38 Ų3849.1 Ų49.120%0.19924%0.236CC..Hα-helixtrans-66.3-26.2-175.4-57.3-178.6000113.3L705 L708 E714 V729 L732L705-L710 HydrophobicContact CD2-CD2 4.48Å; L708-L710 PolarHBondContact O-N 3.12Å; L708-L710 VanDerWaalsContact O-N 3.09Å; L710-E714 WeakPolarHBondContact O-CB 3.26Å; L710-E714 PolarHBondContact O-N 3.28Å; L710-V729 HydrophobicContact CB-CG1 4.04Å; L710-V729 HydrophobicContact CD2-CG1 4.32Å; L710-L732 HydrophobicContact CD2-CB 4.21Å; L710-L732 HydrophobicContact CD2-CD1 4.23Å
711K88.6Confident87.2Confident164 Ų16458.1 Ų58.171%0.71328%0.275SS*.Hα-helixtrans-72.3-54.4-178-72.5-177.6179.1179.60110.6D709 A713 E714 E715D709-K711 VanDerWaalsContact C-N 3.27Å; D709-K711 PolarHBondContact O-N 2.78Å; D709-K711 PolarHBondContact OD1-N 3.18Å; K711-A713 PolarHBondContact O-N 3.02Å; K711-E714 PolarHBondContact O-N 2.78Å; K711-E715 PolarHBondContact O-N 3.22Å
712T88.3Confident87Confident29 Ų2959.7 Ų59.718%0.17828%0.283CS..Hα-helixtrans-63.3-35.5177.8-50.70000110.9I681 L700 A704 D709 A716I681-T712 HydrophobicContact CG2-CG2 3.78Å; L700-T712 HydrophobicContact CD2-CG2 4.37Å; L700-T712 HydrophobicContact CG-CG2 4.44Å; A704-T712 HydrophobicContact CB-CG2 4.37Å; D709-T712 PolarHBondContact OD1-N 3.29Å; D709-T712 VanDerWaalsContact OD2-CB 3.23Å; D709-T712 WeakPolarHBondContact OD2-CB 3.33Å; D709-T712 PolarHBondContact OD2-OG1 3.02Å; T712-A716 WeakPolarHBondContact O-CB 3.48Å; T712-A716 PolarHBondContact O-N 3.37Å
713A88Confident86.9Confident0 Ų064.7 Ų64.70%030%0.301CS..Hα-helixtrans-63.1-45.5173.800000112.9A704 L705 D709 K711 A716 F717 V729A704-A713 HydrophobicContact CB-CB 3.93Å; L705-A713 HydrophobicContact CD2-CB 4.12Å; L705-A713 HydrophobicContact CG-CB 4.04Å; D709-A713 VanDerWaalsContact O-CB 3.3Å; D709-A713 WeakPolarHBondContact O-CB 3.24Å; D709-A713 PolarHBondContact O-N 3.25Å; D709-A713 VanDerWaalsContact O-N 3.13Å; K711-A713 PolarHBondContact O-N 3.02Å; A713-A716 PolarHBondContact O-N 3.07Å; A713-F717 HydrophobicContact CB-CE2 4.39Å; A713-F717 WeakPolarHBondContact O-CD2 3.25Å; A713-F717 WeakPolarHBondContact O-CG 3.46Å; A713-F717 PolarHBondContact O-N 3.17Å; A713-V729 HydrophobicContact CB-CG2 4.13Å
714E88.1Confident86.8Confident69 Ų6968.2 Ų68.232%0.32232%0.323SS..Hα-helixtrans-62.7-46.4177.4-172.5169.5-162.400111.3L710 K711 A716 F717 V718 V729 K730L710-E714 WeakPolarHBondContact O-CB 3.26Å; L710-E714 PolarHBondContact O-N 3.28Å; K711-E714 PolarHBondContact O-N 2.78Å; E714-A716 PolarHBondContact O-N 2.85Å; E714-F717 PolarHBondContact O-N 2.9Å; E714-V718 HydrophobicContact CG-CG2 4.5Å; E714-V718 WeakPolarHBondContact O-CB 3.47Å; E714-V718 WeakPolarHBondContact O-CG2 3.35Å; E714-V718 PolarHBondContact O-N 3.08Å; E714-V729 HydrophobicContact CB-CG1 4.14Å; E714-K730 WeakPolarHBondContact OE1-CE 3.48Å; E714-K730 IonicContact OE1-NZ 3.16Å
715E88.4Confident86.7Confident118 Ų11868.2 Ų68.255%0.55132%0.323SS*.Hα-helixtrans-59.8-44.9177.5-71.2-178.9-174.400112.1K711 V718 R719K711-E715 PolarHBondContact O-N 3.22Å; E715-V718 PolarHBondContact O-N 3.35Å; E715-R719 WeakPolarHBondContact O-CG 3.46Å; E715-R719 PolarHBondContact O-N 2.92Å
716A87.8Confident86.6Confident1 Ų169.3 Ų69.31%0.00833%0.329CS..Hα-helixtrans-65.4-43.4178.400000112W697 L700 A701 T712 A713 E714 V718 R719 C720W697-A716 HydrophobicContact CE3-CB 4.17Å; W697-A716 WeakPolarHBondContact O-CB 3.47Å; L700-A716 HydrophobicContact CB-CB 4.47Å; L700-A716 HydrophobicContact CD2-CB 4.34Å; A701-A716 HydrophobicContact CB-CB 3.63Å; T712-A716 WeakPolarHBondContact O-CB 3.48Å; T712-A716 PolarHBondContact O-N 3.37Å; A713-A716 PolarHBondContact O-N 3.07Å; E714-A716 PolarHBondContact O-N 2.85Å; A716-V718 VanDerWaalsContact C-N 3.34Å; A716-V718 PolarHBondContact O-N 3.27Å; A716-R719 PolarHBondContact O-N 3.42Å; A716-C720 PolarHBondContact O-N 2.82Å; A716-C720 PolarHBondContact O-SG 3.39Å
717F89.2Confident86.7Confident0 Ų068.1 Ų68.10%032%0.323CS..Hα-helixtrans-66-33.6175.2-74.2-55000113.3A701 L705 A713 E714 C720 K721 D722 I726 V729 Y748A701-F717 HydrophobicContact CB-CD1 3.77Å; A701-F717 HydrophobicContact CB-CD2 4.02Å; A701-F717 HydrophobicContact CB-CE1 3.61Å; A701-F717 HydrophobicContact CB-CE2 3.84Å; A701-F717 HydrophobicContact CB-CG 3.97Å; A701-F717 HydrophobicContact CB-CZ 3.63Å; L705-F717 HydrophobicContact CD1-CE2 3.62Å; L705-F717 HydrophobicContact CD1-CZ 3.59Å; L705-F717 HydrophobicContact CG-CE2 4.04Å; L705-F717 HydrophobicContact CG-CZ 4.4Å; A713-F717 HydrophobicContact CB-CE2 4.39Å; A713-F717 WeakPolarHBondContact O-CD2 3.25Å; A713-F717 WeakPolarHBondContact O-CG 3.46Å; A713-F717 PolarHBondContact O-N 3.17Å; E714-F717 PolarHBondContact O-N 2.9Å; F717-C720 CarbonylContact O-C 3.46Å; F717-C720 PolarHBondContact O-N 3.48Å; F717-K721 PolarHBondContact O-N 3.11Å; F717-D722 HydrophobicContact CD1-CB 3.9Å; F717-D722 PolarHBondContact O-N 3.28Å; F717-I726 HydrophobicContact CB-CG1 3.79Å; F717-V729 HydrophobicContact CD2-CG2 3.79Å; F717-V729 HydrophobicContact CE2-CG2 3.8Å; F717-Y748 HydrophobicContact CZ-CE1 4.43Å
718V88.4Confident86.8Confident83 Ų8363 Ų6350%0.50330%0.301SS..Hα-helixtrans-62.2-44.1172.61690000110.5E714 E715 A716 C720 K721 I726E714-V718 HydrophobicContact CG-CG2 4.5Å; E714-V718 WeakPolarHBondContact O-CB 3.47Å; E714-V718 WeakPolarHBondContact O-CG2 3.35Å; E714-V718 PolarHBondContact O-N 3.08Å; E715-V718 PolarHBondContact O-N 3.35Å; A716-V718 VanDerWaalsContact C-N 3.34Å; A716-V718 PolarHBondContact O-N 3.27Å; V718-C720 VanDerWaalsContact C-N 3.32Å; V718-C720 PolarHBondContact O-N 3.44Å; V718-K721 PolarHBondContact O-N 3.24Å; V718-K721 VanDerWaalsContact O-N 3.11Å; V718-I726 HydrophobicContact CG2-CD1 3.73Å; V718-I726 HydrophobicContact CG2-CG1 4.19Å
719R84.7Confident86.9Confident116 Ų11661.5 Ų61.544%0.43829%0.294SS..Hα-helixtrans-67.3-31.2176.5-67.6-174.1-173-162.69.7112.6E689 W697 E715 A716 K721E689-R719 IonicContact OE1-CZ 3.94Å; E689-R719 IonicContact OE1-NH1 3.8Å; E689-R719 PolarHBondContact OE1-NH1 3.21Å; E689-R719 IonicContact OE1-NH2 2.91Å; E689-R719 PolarHBondContact OE1-NH2 2.84Å; W697-R719 HydrophobicContact CB-CB 4.48Å; W697-R719 HydrophobicContact CD2-CB 3.85Å; W697-R719 HydrophobicContact CD2-CG 4.46Å; W697-R719 HydrophobicContact CE3-CB 4.28Å; W697-R719 HydrophobicContact CG-CB 3.93Å; W697-R719 VanDerWaalsContact CZ2-CD 3.48Å; E715-R719 WeakPolarHBondContact O-CG 3.46Å; E715-R719 PolarHBondContact O-N 2.92Å; A716-R719 PolarHBondContact O-N 3.42Å; R719-K721 VanDerWaalsContact C-N 3.31Å
720C81.6Confident86.9Confident25 Ų2564.5 Ų64.517%0.16930%0.304CS..Hα-helixtrans-73.9-14.8170.6-670000115P694 W697 H698 A716 F717 V718 D722P694-C720 PolarHBondContact O-SG 3.27Å; W697-C720 WeakPolarHBondContact CB-SG 3.1Å; H698-C720 PolarHBondContact N-SG 2.98Å; A716-C720 PolarHBondContact O-N 2.82Å; A716-C720 PolarHBondContact O-SG 3.39Å; F717-C720 CarbonylContact O-C 3.46Å; F717-C720 PolarHBondContact O-N 3.48Å; V718-C720 VanDerWaalsContact C-N 3.32Å; V718-C720 PolarHBondContact O-N 3.44Å; C720-D722 HydrophobicContact CB-CB 4.14Å; C720-D722 PolarHBondContact O-N 3.25Å
721K86.4Confident86.8Confident188 Ų18869.6 Ų69.682%0.81732%0.32SS*.THydrogen-bonded Turntrans57.628.7-167.1-52.9177.6-178.31750113.4F717 V718 R719 Y723F717-K721 PolarHBondContact O-N 3.11Å; V718-K721 PolarHBondContact O-N 3.24Å; V718-K721 VanDerWaalsContact O-N 3.11Å; R719-K721 VanDerWaalsContact C-N 3.31Å; K721-Y723 PolarHBondContact O-N 3.03Å
722D84.8Confident86.7Confident33 Ų3361.9 Ų61.918%0.17629%0.287CS..  trans-86.790.5177.9-174.8-6.8000110.5H698 F717 C720 P724 G725 I726H698-D722 IonicContact CD2-OD2 2.95Å; H698-D722 IonicContact NE2-OD2 3.15Å; F717-D722 HydrophobicContact CD1-CB 3.9Å; F717-D722 PolarHBondContact O-N 3.28Å; C720-D722 HydrophobicContact CB-CB 4.14Å; C720-D722 PolarHBondContact O-N 3.25Å; D722-P724 WeakPolarHBondContact OD1-CD 3.39Å; D722-G725 PolarHBondContact O-N 3.28Å; D722-G725 PolarHBondContact OD1-N 3.19Å; D722-G725 VanDerWaalsContact OD1-N 3.08Å; D722-I726 WeakPolarHBondContact O-CG1 3.32Å; D722-I726 PolarHBondContact O-N 3.34Å
723Y85.4Confident86.5Confident153 Ų15362.5 Ų62.560%0.630%0.299SS*.Hα-helixtrans-64-42.8-179-175.2-101.9000114.1K721 G725 I726 Q727K721-Y723 PolarHBondContact O-N 3.03Å; Y723-G725 VanDerWaalsContact C-N 3.34Å; Y723-G725 PolarHBondContact O-N 3.3Å; Y723-I726 PolarHBondContact O-N 3.49Å; Y723-Q727 HydrophobicContact CD1-CG 4.34Å; Y723-Q727 HydrophobicContact CE1-CG 3.94Å; Y723-Q727 VanDerWaalsContact CZ-NE2 3.26Å; Y723-Q727 PolarHBondContact O-N 2.92Å; Y723-Q727 PolarHBondContact OH-NE2 3.38Å
724P85.4Confident86.4Confident84 Ų8469 Ų6955%0.54533%0.334SS..Hα-helixtrans-52.8-46169.7-28.333.4000113.9D722 I726 Q727 F728D722-P724 WeakPolarHBondContact OD1-CD 3.39Å; P724-I726 VanDerWaalsContact C-N 3.35Å; P724-I726 PolarHBondContact O-N 3.46Å; P724-Q727 PolarHBondContact O-N 3.06Å; P724-F728 WeakPolarHBondContact O-CB 3.46Å; P724-F728 PolarHBondContact O-N 2.91Å
725G85.5Confident86.2Confident0 Ų067.7 Ų67.70%033%0.329CS..Hα-helixtrans-58.7-43.917700000112.5D722 Y723 Q727 F728 V729D722-G725 PolarHBondContact O-N 3.28Å; D722-G725 PolarHBondContact OD1-N 3.19Å; D722-G725 VanDerWaalsContact OD1-N 3.08Å; Y723-G725 VanDerWaalsContact C-N 3.34Å; Y723-G725 PolarHBondContact O-N 3.3Å; G725-Q727 PolarHBondContact O-N 3.4Å; G725-F728 WeakPolarHBondContact O-CB 3.47Å; G725-F728 PolarHBondContact O-N 3.11Å; G725-V729 WeakPolarHBondContact O-CG2 3.43Å; G725-V729 PolarHBondContact O-N 3.45Å
726I87Confident85.6Confident23 Ų2371.6 Ų71.612%0.11835%0.347CS..Hα-helixtrans-62.6-45.1176.8-62.4164.3000111.6F717 V718 D722 Y723 P724 F728 V729 K730F717-I726 HydrophobicContact CB-CG1 3.79Å; V718-I726 HydrophobicContact CG2-CD1 3.73Å; V718-I726 HydrophobicContact CG2-CG1 4.19Å; D722-I726 WeakPolarHBondContact O-CG1 3.32Å; D722-I726 PolarHBondContact O-N 3.34Å; Y723-I726 PolarHBondContact O-N 3.49Å; P724-I726 VanDerWaalsContact C-N 3.35Å; P724-I726 PolarHBondContact O-N 3.46Å; I726-F728 VanDerWaalsContact C-N 3.27Å; I726-F728 PolarHBondContact O-N 2.96Å; I726-V729 PolarHBondContact O-N 3.29Å; I726-K730 HydrophobicContact CG2-CD 4.38Å; I726-K730 WeakPolarHBondContact O-CG 3.23Å; I726-K730 PolarHBondContact O-N 2.86Å
727Q86.4Confident85.4Confident89 Ų8973.5 Ų73.542%0.41636%0.361SS..Hα-helixtrans-63.1-36.8176.7-72.1-165.4-13.100111.8Y723 P724 G725 K730 R731Y723-Q727 HydrophobicContact CD1-CG 4.34Å; Y723-Q727 HydrophobicContact CE1-CG 3.94Å; Y723-Q727 VanDerWaalsContact CZ-NE2 3.26Å; Y723-Q727 PolarHBondContact O-N 2.92Å; Y723-Q727 PolarHBondContact OH-NE2 3.38Å; P724-Q727 PolarHBondContact O-N 3.06Å; G725-Q727 PolarHBondContact O-N 3.4Å; Q727-K730 PolarHBondContact O-N 2.79Å; Q727-R731 WeakPolarHBondContact O-CB 3.33Å; Q727-R731 PolarHBondContact O-N 2.86Å
728F87.6Confident85.1Confident18 Ų1879.2 Ų79.28%0.07939%0.387CS..Hα-helixtrans-65.9-45.9177-179.5-112.5000111.8L705 P724 G725 I726 K730 R731 L732 E744 V745 Y748L705-F728 HydrophobicContact CD1-CD1 4.32Å; L705-F728 HydrophobicContact CD1-CE1 4.3Å; L705-F728 HydrophobicContact CD2-CE1 4.4Å; P724-F728 WeakPolarHBondContact O-CB 3.46Å; P724-F728 PolarHBondContact O-N 2.91Å; G725-F728 WeakPolarHBondContact O-CB 3.47Å; G725-F728 PolarHBondContact O-N 3.11Å; I726-F728 VanDerWaalsContact C-N 3.27Å; I726-F728 PolarHBondContact O-N 2.96Å; F728-K730 VanDerWaalsContact C-N 3.32Å; F728-K730 PolarHBondContact O-N 3.31Å; F728-R731 WeakPolarHBondContact O-CB 3.11Å; F728-R731 PolarHBondContact O-N 3.15Å; F728-R731 VanDerWaalsContact O-N 3.11Å; F728-L732 HydrophobicContact CD1-CD1 3.82Å; F728-L732 HydrophobicContact CD1-CG 4.4Å; F728-L732 HydrophobicContact CE1-CD1 3.33Å; F728-L732 HydrophobicContact CE1-CD2 4.48Å; F728-L732 HydrophobicContact CE1-CG 3.97Å; F728-L732 HydrophobicContact CE2-CD1 4.4Å; F728-L732 HydrophobicContact CE2-CD2 4.33Å; F728-L732 HydrophobicContact CE2-CG 4.15Å; F728-L732 HydrophobicContact CZ-CD1 3.64Å; F728-L732 HydrophobicContact CZ-CD2 3.93Å; F728-L732 HydrophobicContact CZ-CG 3.81Å; F728-L732 WeakPolarHBondContact O-CG 3.36Å; F728-L732 PolarHBondContact O-N 3.39Å; F728-E744 HydrophobicContact CE2-CB 4.35Å; F728-E744 HydrophobicContact CZ-CB 4.34Å; F728-E744 WeakPolarHBondContact CZ-O 3.35Å; F728-V745 HydrophobicContact CE1-CG2 4.36Å; F728-V745 HydrophobicContact CZ-CG2 4.41Å; F728-Y748 HydrophobicContact CB-CD2 4.31Å; F728-Y748 HydrophobicContact CB-CE2 4.08Å; F728-Y748 HydrophobicContact CD1-CD1 4.24Å; F728-Y748 AromaticContact CD1-CD2 3.46Å; F728-Y748 HydrophobicContact CD1-CD2 3.46Å; F728-Y748 VanDerWaalsContact CD1-CD2 3.46Å; F728-Y748 HydrophobicContact CD1-CE1 4.5Å; F728-Y748 AromaticContact CD1-CE2 3.75Å; F728-Y748 HydrophobicContact CD1-CE2 3.75Å; F728-Y748 AromaticContact CD1-CG 3.73Å; F728-Y748 HydrophobicContact CD1-CG 3.73Å; F728-Y748 AromaticContact CD2-CD2 3.95Å; F728-Y748 HydrophobicContact CD2-CD2 3.95Å; F728-Y748 HydrophobicContact CE1-CD1 4.03Å; F728-Y748 AromaticContact CE1-CD2 3.63Å; F728-Y748 HydrophobicContact CE1-CD2 3.63Å; F728-Y748 HydrophobicContact CE1-CE2 4.34Å; F728-Y748 AromaticContact CE1-CG 3.45Å; F728-Y748 HydrophobicContact CE1-CG 3.45Å; F728-Y748 VanDerWaalsContact CE1-CG 3.45Å; F728-Y748 HydrophobicContact CE2-CD2 4.13Å; F728-Y748 HydrophobicContact CE2-CG 4.42Å; F728-Y748 AromaticContact CG-CD2 3.63Å; F728-Y748 HydrophobicContact CG-CD2 3.63Å; F728-Y748 AromaticContact CG-CE2 3.87Å; F728-Y748 HydrophobicContact CG-CE2 3.87Å; F728-Y748 HydrophobicContact CG-CG 4.32Å; F728-Y748 VanDerWaalsContact CZ-CB 3.45Å; F728-Y748 AromaticContact CZ-CD2 3.99Å; F728-Y748 HydrophobicContact CZ-CD2 3.99Å; F728-Y748 AromaticContact CZ-CG 3.86Å; F728-Y748 HydrophobicContact CZ-CG 3.86Å
729V88.6Confident84.8Confident5 Ų578.3 Ų78.33%0.0338%0.383CS..Hα-helixtrans-58.4-43174.4174.40000111.4L705 L710 A713 E714 F717 G725 I726 R731 L732 G733L705-V729 HydrophobicContact CD2-CG2 3.9Å; L710-V729 HydrophobicContact CB-CG1 4.04Å; L710-V729 HydrophobicContact CD2-CG1 4.32Å; A713-V729 HydrophobicContact CB-CG2 4.13Å; E714-V729 HydrophobicContact CB-CG1 4.14Å; F717-V729 HydrophobicContact CD2-CG2 3.79Å; F717-V729 HydrophobicContact CE2-CG2 3.8Å; G725-V729 WeakPolarHBondContact O-CG2 3.43Å; G725-V729 PolarHBondContact O-N 3.45Å; I726-V729 PolarHBondContact O-N 3.29Å; V729-R731 VanDerWaalsContact C-N 3.35Å; V729-R731 PolarHBondContact O-N 3.44Å; V729-L732 WeakPolarHBondContact O-CB 3.42Å; V729-L732 PolarHBondContact O-N 3.39Å; V729-G733 PolarHBondContact O-N 3.22Å
730K86.9Confident84.8Confident118 Ų11874.5 Ų74.551%0.51337%0.37SS..Hα-helixtrans-63.8-38.4175.5-71.6179.1-177.8-178.80112.6E714 I726 Q727 F728 G733 N734E714-K730 WeakPolarHBondContact OE1-CE 3.48Å; E714-K730 IonicContact OE1-NZ 3.16Å; I726-K730 HydrophobicContact CG2-CD 4.38Å; I726-K730 WeakPolarHBondContact O-CG 3.23Å; I726-K730 PolarHBondContact O-N 2.86Å; Q727-K730 PolarHBondContact O-N 2.79Å; F728-K730 VanDerWaalsContact C-N 3.32Å; F728-K730 PolarHBondContact O-N 3.31Å; K730-G733 PolarHBondContact O-N 3.32Å; K730-N734 PolarHBondContact O-N 2.91Å
731R85.9Confident85Confident145 Ų14575.5 Ų75.555%0.54737%0.372SS..Hα-helixtrans-65.3-43.8174.5-172.2-176.3-62.6167.73.4111.3Q727 F728 V729 G733 N734Q727-R731 WeakPolarHBondContact O-CB 3.33Å; Q727-R731 PolarHBondContact O-N 2.86Å; F728-R731 WeakPolarHBondContact O-CB 3.11Å; F728-R731 PolarHBondContact O-N 3.15Å; F728-R731 VanDerWaalsContact O-N 3.11Å; V729-R731 VanDerWaalsContact C-N 3.35Å; V729-R731 PolarHBondContact O-N 3.44Å; R731-G733 VanDerWaalsContact C-N 3.29Å; R731-G733 PolarHBondContact O-N 3.3Å; R731-N734 PolarHBondContact O-N 3.4Å; R731-N734 VanDerWaalsContact O-N 3.15Å
732L86.6Confident84.9Confident2 Ų270.8 Ų70.81%0.0135%0.353CS..Hα-helixtrans-61.1-38.1175.1-75173.5000112L705 L710 F728 V729 N734 L735 K741 E744 V745L705-L732 HydrophobicContact CD2-CD1 3.75Å; L710-L732 HydrophobicContact CD2-CB 4.21Å; L710-L732 HydrophobicContact CD2-CD1 4.23Å; F728-L732 HydrophobicContact CD1-CD1 3.82Å; F728-L732 HydrophobicContact CD1-CG 4.4Å; F728-L732 HydrophobicContact CE1-CD1 3.33Å; F728-L732 HydrophobicContact CE1-CD2 4.48Å; F728-L732 HydrophobicContact CE1-CG 3.97Å; F728-L732 HydrophobicContact CE2-CD1 4.4Å; F728-L732 HydrophobicContact CE2-CD2 4.33Å; F728-L732 HydrophobicContact CE2-CG 4.15Å; F728-L732 HydrophobicContact CZ-CD1 3.64Å; F728-L732 HydrophobicContact CZ-CD2 3.93Å; F728-L732 HydrophobicContact CZ-CG 3.81Å; F728-L732 WeakPolarHBondContact O-CG 3.36Å; F728-L732 PolarHBondContact O-N 3.39Å; V729-L732 WeakPolarHBondContact O-CB 3.42Å; V729-L732 PolarHBondContact O-N 3.39Å; L732-N734 PolarHBondContact O-N 2.98Å; L732-L735 HydrophobicContact CD2-CD1 4.15Å; L732-L735 PolarHBondContact O-N 3.09Å; L732-K741 HydrophobicContact CD2-CB 4.17Å; L732-K741 HydrophobicContact CD2-CG 4.37Å; L732-K741 VanDerWaalsContact O-CE 3.22Å; L732-K741 WeakPolarHBondContact O-CE 3.42Å; L732-E744 HydrophobicContact CD2-CB 3.77Å; L732-V745 HydrophobicContact CD1-CG2 3.62Å; L732-V745 HydrophobicContact CD2-CG2 4.01Å; L732-V745 HydrophobicContact CG-CG2 4.49Å
733G83.7Confident85Confident42 Ų4269.2 Ų69.243%0.43334%0.344SS..Hα-helixtrans-59.1-30.717500000113.7V729 K730 R731V729-G733 PolarHBondContact O-N 3.22Å; K730-G733 PolarHBondContact O-N 3.32Å; R731-G733 VanDerWaalsContact C-N 3.29Å; R731-G733 PolarHBondContact O-N 3.3Å
734N85.6Confident85Confident138 Ų13864.2 Ų64.274%0.73833%0.327SS*.THydrogen-bonded Turntrans-81.5-12.6179.5-67-21.9000114K730 R731 L732K730-N734 PolarHBondContact O-N 2.91Å; R731-N734 PolarHBondContact O-N 3.4Å; R731-N734 VanDerWaalsContact O-N 3.15Å; L732-N734 PolarHBondContact O-N 2.98Å
735L84.1Confident85.1Confident41 Ų4160.5 Ų60.522%0.21530%0.303CS..  trans-81.7135.2178.7-60.3174.2000110.3L732 M740 K741 E744L732-L735 HydrophobicContact CD2-CD1 4.15Å; L732-L735 PolarHBondContact O-N 3.09Å; L735-M740 HydrophobicContact CD1-CG 4.33Å; L735-M740 HydrophobicContact CD2-SD 3.85Å; L735-K741 HydrophobicContact CB-CG 3.98Å; L735-K741 HydrophobicContact CD1-CG 4.39Å; L735-K741 WeakPolarHBondContact O-CE 3.42Å; L735-K741 PolarHBondContact O-NZ 2.96Å; L735-E744 HydrophobicContact CD1-CB 4.48Å; L735-E744 HydrophobicContact CD1-CG 3.87Å
736Q74.9Confident85.1Confident199 Ų19960.6 Ų60.693%0.9330%0.303SS*.  trans-89-24.4-177.4-64.3-153.9-8.800114.2
737S83.9Confident85.1Confident42 Ų4260.2 Ų60.229%0.29430%0.303SS..  trans-96.2128-177171.20000111.2P739 M740 K741S737-P739 WeakPolarHBondContact OG-CD 3.21Å; S737-M740 WeakPolarHBondContact O-CB 3.15Å; S737-M740 PolarHBondContact O-N 3.06Å; S737-K741 PolarHBondContact O-N 2.93Å; S737-K741 VanDerWaalsContact O-N 3.07Å
738E83.1Confident85Confident120 Ų12059.6 Ų59.656%0.56130%0.298SS*.Hα-helixtrans-65.1-44.2177.2-174.5177.4179.100113.2L708 M740 K741 Q742L708-E738 HydrophobicContact CD1-CG 3.66Å; E738-M740 PolarHBondContact O-N 3.44Å; E738-K741 WeakPolarHBondContact O-CB 3.44Å; E738-K741 PolarHBondContact O-N 2.95Å; E738-K741 VanDerWaalsContact O-N 3.08Å; E738-Q742 WeakPolarHBondContact O-CG 3.38Å; E738-Q742 PolarHBondContact O-N 3.45Å
739P82.9Confident84.8Confident64 Ų6460.9 Ų60.942%0.41630%0.303SS..Hα-helixtrans-55.8-35.5169.6-26.832.5000113.6S737 Q742 A743 M762S737-P739 WeakPolarHBondContact OG-CD 3.21Å; P739-Q742 PolarHBondContact O-N 3.21Å; P739-A743 WeakPolarHBondContact O-CB 3.42Å; P739-A743 PolarHBondContact O-N 2.95Å; P739-M762 HydrophobicContact CB-CE 4.45Å; P739-M762 HydrophobicContact CB-CG 4.33Å; P739-M762 HydrophobicContact CB-SD 3.81Å
740M83.8Confident84.6Confident35 Ų3562.4 Ų62.417%0.17232%0.32CS..Hα-helixtrans-68.1-39.9176.6-163.5179.2-77.300111.8L735 S737 E738 A743 E744 M762L735-M740 HydrophobicContact CD1-CG 4.33Å; L735-M740 HydrophobicContact CD2-SD 3.85Å; S737-M740 WeakPolarHBondContact O-CB 3.15Å; S737-M740 PolarHBondContact O-N 3.06Å; E738-M740 PolarHBondContact O-N 3.44Å; M740-A743 PolarHBondContact O-N 3.35Å; M740-E744 WeakPolarHBondContact O-CG 3.43Å; M740-E744 PolarHBondContact O-N 3.05Å; M740-M762 HydrophobicContact CB-CE 3.86Å; M740-M762 HydrophobicContact CE-CE 3.97Å; M740-M762 HydrophobicContact CG-CE 4.33Å
741K86.2Confident84.6Confident46 Ų4661 Ų6120%0.231%0.312CS..Hα-helixtrans-62.9-43.8173.1-66.8177.4-170.7-175.80110.7L708 L732 L735 S737 E738 A743 E744 V745L708-K741 HydrophobicContact CD2-CB 3.9Å; L732-K741 HydrophobicContact CD2-CB 4.17Å; L732-K741 HydrophobicContact CD2-CG 4.37Å; L732-K741 VanDerWaalsContact O-CE 3.22Å; L732-K741 WeakPolarHBondContact O-CE 3.42Å; L735-K741 HydrophobicContact CB-CG 3.98Å; L735-K741 HydrophobicContact CD1-CG 4.39Å; L735-K741 WeakPolarHBondContact O-CE 3.42Å; L735-K741 PolarHBondContact O-NZ 2.96Å; S737-K741 PolarHBondContact O-N 2.93Å; S737-K741 VanDerWaalsContact O-N 3.07Å; E738-K741 WeakPolarHBondContact O-CB 3.44Å; E738-K741 PolarHBondContact O-N 2.95Å; E738-K741 VanDerWaalsContact O-N 3.08Å; K741-A743 PolarHBondContact O-N 3.35Å; K741-E744 PolarHBondContact O-N 2.76Å; K741-V745 WeakPolarHBondContact O-CB 3.46Å; K741-V745 WeakPolarHBondContact O-CG2 3.29Å; K741-V745 PolarHBondContact O-N 3.33Å
742Q85.3Confident84.6Confident89 Ų8957.2 Ų57.242%0.41630%0.299SS..Hα-helixtrans-63.6-40.1178.2-69.1-179.4-3.300112.3L708 E738 P739 V745 A746 M758L708-Q742 HydrophobicContact CD1-CG 3.91Å; E738-Q742 WeakPolarHBondContact O-CG 3.38Å; E738-Q742 PolarHBondContact O-N 3.45Å; P739-Q742 PolarHBondContact O-N 3.21Å; Q742-V745 PolarHBondContact O-N 3.32Å; Q742-A746 WeakPolarHBondContact O-CB 3.36Å; Q742-A746 PolarHBondContact O-N 3.47Å; Q742-M758 HydrophobicContact CB-SD 4.1Å
743A85.3Confident84.6Confident0 Ų063.5 Ų63.50%033%0.329CS..Hα-helixtrans-64.2-44.4175.500000112.2P739 M740 K741 A746 A747 A755 M758 Y759P739-A743 WeakPolarHBondContact O-CB 3.42Å; P739-A743 PolarHBondContact O-N 2.95Å; M740-A743 PolarHBondContact O-N 3.35Å; K741-A743 PolarHBondContact O-N 3.35Å; A743-A746 PolarHBondContact O-N 3.45Å; A743-A747 WeakPolarHBondContact O-CB 3.38Å; A743-A747 PolarHBondContact O-N 3.02Å; A743-A755 WeakPolarHBondContact O-CB 3.32Å; A743-M758 HydrophobicContact CB-CB 3.86Å; A743-M758 HydrophobicContact CB-SD 4.28Å; A743-Y759 HydrophobicContact CB-CD1 4.07Å; A743-Y759 HydrophobicContact CB-CE1 3.72Å; A743-Y759 HydrophobicContact CB-CE2 4.19Å; A743-Y759 HydrophobicContact CB-CG 4.46Å
744E85.9Confident84.7Confident49 Ų4965.9 Ų65.923%0.22933%0.328CS..Hα-helixtrans-66.3-38.1175.8-69.9-74.4154.300111.9F728 L732 L735 M740 K741 A747 Y748 Y759F728-E744 HydrophobicContact CE2-CB 4.35Å; F728-E744 HydrophobicContact CZ-CB 4.34Å; F728-E744 WeakPolarHBondContact CZ-O 3.35Å; L732-E744 HydrophobicContact CD2-CB 3.77Å; L735-E744 HydrophobicContact CD1-CB 4.48Å; L735-E744 HydrophobicContact CD1-CG 3.87Å; M740-E744 WeakPolarHBondContact O-CG 3.43Å; M740-E744 PolarHBondContact O-N 3.05Å; K741-E744 PolarHBondContact O-N 2.76Å; E744-A747 WeakPolarHBondContact O-CB 3.32Å; E744-A747 PolarHBondContact O-N 3.32Å; E744-Y748 WeakPolarHBondContact O-CB 3.48Å; E744-Y748 PolarHBondContact O-N 2.99Å; E744-Y759 PolarHBondContact OE1-OH 2.8Å
745V87.6Confident84.8Confident6 Ų659.3 Ų59.34%0.03629%0.293CS..Hα-helixtrans-64.9-44.6174.11700000110.8L705 L708 F728 L732 K741 Q742 A747 Y748 F749L705-V745 HydrophobicContact CB-CG1 4.44Å; L708-V745 HydrophobicContact CD2-CG2 4.21Å; F728-V745 HydrophobicContact CE1-CG2 4.36Å; F728-V745 HydrophobicContact CZ-CG2 4.41Å; L732-V745 HydrophobicContact CD1-CG2 3.62Å; L732-V745 HydrophobicContact CD2-CG2 4.01Å; L732-V745 HydrophobicContact CG-CG2 4.49Å; K741-V745 WeakPolarHBondContact O-CB 3.46Å; K741-V745 WeakPolarHBondContact O-CG2 3.29Å; K741-V745 PolarHBondContact O-N 3.33Å; Q742-V745 PolarHBondContact O-N 3.32Å; V745-A747 VanDerWaalsContact C-N 3.29Å; V745-A747 PolarHBondContact O-N 2.92Å; V745-Y748 WeakPolarHBondContact O-CB 3.03Å; V745-Y748 PolarHBondContact O-N 3.48Å; V745-Y748 VanDerWaalsContact O-N 3.16Å; V745-F749 HydrophobicContact CG1-CD2 3.69Å; V745-F749 HydrophobicContact CG1-CE2 3.45Å; V745-F749 VanDerWaalsContact CG1-CE2 3.45Å; V745-F749 WeakPolarHBondContact O-CD2 3.14Å; V745-F749 PolarHBondContact O-N 3.28Å
746A86.3Confident84.9Confident2 Ų258.4 Ų58.42%0.01729%0.288CS..Hα-helixtrans-60.5-40.6174.600000111.5Q742 A743 F749 G750 R751 E754 A755 M758Q742-A746 WeakPolarHBondContact O-CB 3.36Å; Q742-A746 PolarHBondContact O-N 3.47Å; A743-A746 PolarHBondContact O-N 3.45Å; A746-F749 PolarHBondContact O-N 3.04Å; A746-G750 PolarHBondContact O-N 3.24Å; A746-R751 HydrophobicContact CB-CB 4.46Å; A746-R751 CarbonylContact O-C 3.47Å; A746-R751 WeakPolarHBondContact O-CA 3.36Å; A746-R751 WeakPolarHBondContact O-CB 3.49Å; A746-R751 PolarHBondContact O-N 3.25Å; A746-E754 HydrophobicContact CB-CB 4.49Å; A746-A755 HydrophobicContact CB-CB 4Å; A746-M758 HydrophobicContact CB-CE 3.82Å
747A85.4Confident85.4Confident14 Ų1451.6 Ų51.612%0.11626%0.262CS..Hα-helixtrans-63.6-40.6173.400000112.3A743 E744 V745 F749 G750 F752 A755 L771A743-A747 WeakPolarHBondContact O-CB 3.38Å; A743-A747 PolarHBondContact O-N 3.02Å; E744-A747 WeakPolarHBondContact O-CB 3.32Å; E744-A747 PolarHBondContact O-N 3.32Å; V745-A747 VanDerWaalsContact C-N 3.29Å; V745-A747 PolarHBondContact O-N 2.92Å; A747-F749 VanDerWaalsContact C-N 3.31Å; A747-F749 PolarHBondContact O-N 3.25Å; A747-G750 PolarHBondContact O-N 3.41Å; A747-G750 VanDerWaalsContact O-N 3.13Å; A747-F752 WeakPolarHBondContact O-CE1 3.38Å; A747-A755 HydrophobicContact CB-CB 4.02Å; A747-L771 HydrophobicContact CB-CD1 3.83Å
748Y85.6Confident85.5Confident76 Ų7652 Ų5230%0.29826%0.26SS..Hα-helixtrans-60.4-38.7175.8-176.1-96.5000112.5L705 F717 F728 E744 V745 G750L705-Y748 HydrophobicContact CD1-CD1 4.08Å; L705-Y748 HydrophobicContact CD1-CE1 3.94Å; F717-Y748 HydrophobicContact CZ-CE1 4.43Å; F728-Y748 HydrophobicContact CB-CD2 4.31Å; F728-Y748 HydrophobicContact CB-CE2 4.08Å; F728-Y748 HydrophobicContact CD1-CD1 4.24Å; F728-Y748 AromaticContact CD1-CD2 3.46Å; F728-Y748 HydrophobicContact CD1-CD2 3.46Å; F728-Y748 VanDerWaalsContact CD1-CD2 3.46Å; F728-Y748 HydrophobicContact CD1-CE1 4.5Å; F728-Y748 AromaticContact CD1-CE2 3.75Å; F728-Y748 HydrophobicContact CD1-CE2 3.75Å; F728-Y748 AromaticContact CD1-CG 3.73Å; F728-Y748 HydrophobicContact CD1-CG 3.73Å; F728-Y748 AromaticContact CD2-CD2 3.95Å; F728-Y748 HydrophobicContact CD2-CD2 3.95Å; F728-Y748 HydrophobicContact CE1-CD1 4.03Å; F728-Y748 AromaticContact CE1-CD2 3.63Å; F728-Y748 HydrophobicContact CE1-CD2 3.63Å; F728-Y748 HydrophobicContact CE1-CE2 4.34Å; F728-Y748 AromaticContact CE1-CG 3.45Å; F728-Y748 HydrophobicContact CE1-CG 3.45Å; F728-Y748 VanDerWaalsContact CE1-CG 3.45Å; F728-Y748 HydrophobicContact CE2-CD2 4.13Å; F728-Y748 HydrophobicContact CE2-CG 4.42Å; F728-Y748 AromaticContact CG-CD2 3.63Å; F728-Y748 HydrophobicContact CG-CD2 3.63Å; F728-Y748 AromaticContact CG-CE2 3.87Å; F728-Y748 HydrophobicContact CG-CE2 3.87Å; F728-Y748 HydrophobicContact CG-CG 4.32Å; F728-Y748 VanDerWaalsContact CZ-CB 3.45Å; F728-Y748 AromaticContact CZ-CD2 3.99Å; F728-Y748 HydrophobicContact CZ-CD2 3.99Å; F728-Y748 AromaticContact CZ-CG 3.86Å; F728-Y748 HydrophobicContact CZ-CG 3.86Å; E744-Y748 WeakPolarHBondContact O-CB 3.48Å; E744-Y748 PolarHBondContact O-N 2.99Å; V745-Y748 WeakPolarHBondContact O-CB 3.03Å; V745-Y748 PolarHBondContact O-N 3.48Å; V745-Y748 VanDerWaalsContact O-N 3.16Å; Y748-G750 PolarHBondContact O-N 2.98Å
749F84.1Confident85.8Confident46 Ų4646.5 Ų46.520%0.20223%0.234CC..THydrogen-bonded Turntrans-78.24.3176.9-74-61.5000115.1E702 L705 Q706 V745 A746 A747 R751E702-F749 HydrophobicContact CB-CE1 3.62Å; E702-F749 HydrophobicContact CB-CZ 3.81Å; E702-F749 HydrophobicContact CG-CE1 3.6Å; E702-F749 HydrophobicContact CG-CZ 4.17Å; E702-F749 WeakPolarHBondContact O-CZ 3.37Å; L705-F749 HydrophobicContact CB-CE2 4.18Å; L705-F749 HydrophobicContact CB-CZ 4.09Å; L705-F749 HydrophobicContact CD1-CZ 4.37Å; Q706-F749 HydrophobicContact CG-CD2 4.19Å; Q706-F749 HydrophobicContact CG-CE2 3.49Å; Q706-F749 VanDerWaalsContact CG-CE2 3.49Å; Q706-F749 HydrophobicContact CG-CZ 3.91Å; V745-F749 HydrophobicContact CG1-CD2 3.69Å; V745-F749 HydrophobicContact CG1-CE2 3.45Å; V745-F749 VanDerWaalsContact CG1-CE2 3.45Å; V745-F749 WeakPolarHBondContact O-CD2 3.14Å; V745-F749 PolarHBondContact O-N 3.28Å; A746-F749 PolarHBondContact O-N 3.04Å; A747-F749 VanDerWaalsContact C-N 3.31Å; A747-F749 PolarHBondContact O-N 3.25Å; F749-R751 PolarHBondContact O-N 3.23Å
750G83.2Confident85.9Confident37 Ų3746.3 Ų46.338%0.38123%0.229SC..THydrogen-bonded Turntrans74.57.7-176.500000114.6A746 A747 Y748 F752A746-G750 PolarHBondContact O-N 3.24Å; A747-G750 PolarHBondContact O-N 3.41Å; A747-G750 VanDerWaalsContact O-N 3.13Å; Y748-G750 PolarHBondContact O-N 2.98Å; G750-F752 VanDerWaalsContact O-CD2 3.26Å; G750-F752 WeakPolarHBondContact O-CD2 3.35Å; G750-F752 PolarHBondContact O-N 3.36Å
751R86.6Confident86Confident89 Ų8952 Ų5234%0.33626%0.255SS..  trans-84.462.1175.2-66.8-178.8-73.5153.2-13.2110A746 F749 E753 E754 A755A746-R751 HydrophobicContact CB-CB 4.46Å; A746-R751 CarbonylContact O-C 3.47Å; A746-R751 WeakPolarHBondContact O-CA 3.36Å; A746-R751 WeakPolarHBondContact O-CB 3.49Å; A746-R751 PolarHBondContact O-N 3.25Å; F749-R751 PolarHBondContact O-N 3.23Å; R751-E753 VanDerWaalsContact C-N 3.3Å; R751-E753 PolarHBondContact O-N 2.78Å; R751-E754 HydrophobicContact CB-CB 4.35Å; R751-E754 HydrophobicContact CB-CG 4.44Å; R751-E754 WeakPolarHBondContact CD-OE2 3.26Å; R751-E754 IonicContact CZ-OE2 3.65Å; R751-E754 IonicContact NE-OE2 3.72Å; R751-E754 IonicContact NH1-OE2 3.88Å; R751-E754 PolarHBondContact NH1-OE2 2.84Å; R751-E754 PolarHBondContact O-N 2.89Å; R751-A755 PolarHBondContact O-N 3.36Å; R751-A755 VanDerWaalsContact O-N 3.07Å
752F87.3Confident85.9Confident65 Ų6552.2 Ų52.229%0.28526%0.258SS..Hα-helixtrans-66.9-28.2-171-54.6-58.2000113.9A747 G750 E756 L771 R772 L775A747-F752 WeakPolarHBondContact O-CE1 3.38Å; G750-F752 VanDerWaalsContact O-CD2 3.26Å; G750-F752 WeakPolarHBondContact O-CD2 3.35Å; G750-F752 PolarHBondContact O-N 3.36Å; F752-E756 VanDerWaalsContact O-CB 3.26Å; F752-E756 WeakPolarHBondContact O-CB 3.18Å; F752-E756 PolarHBondContact O-N 2.95Å; F752-L771 HydrophobicContact CD1-CD1 4.36Å; F752-R772 PolarHBondContact O-NH2 3.02Å; F752-L775 HydrophobicContact CB-CD1 3.71Å; F752-L775 HydrophobicContact CD1-CD1 3.52Å; F752-L775 HydrophobicContact CD1-CD2 3.85Å; F752-L775 HydrophobicContact CD1-CG 4.25Å; F752-L775 HydrophobicContact CD2-CD1 3.75Å; F752-L775 HydrophobicContact CD2-CD2 4Å; F752-L775 HydrophobicContact CE1-CD1 4.02Å; F752-L775 HydrophobicContact CE1-CD2 3.4Å; F752-L775 VanDerWaalsContact CE1-CD2 3.4Å; F752-L775 HydrophobicContact CE1-CG 4.27Å; F752-L775 HydrophobicContact CE2-CD1 4.21Å; F752-L775 HydrophobicContact CE2-CD2 3.56Å; F752-L775 HydrophobicContact CG-CD1 3.36Å; F752-L775 HydrophobicContact CG-CD2 4.13Å; F752-L775 HydrophobicContact CG-CG 4.38Å; F752-L775 HydrophobicContact CZ-CD1 4.33Å; F752-L775 HydrophobicContact CZ-CD2 3.23Å; F752-L775 HydrophobicContact CZ-CG 4.39Å
753E85.6Confident85.7Confident134 Ų13455.1 Ų55.163%0.62628%0.276SS*.Hα-helixtrans-71.5-42.3177.2-60.3-169.2151.300112R751 E756 S757 K780R751-E753 VanDerWaalsContact C-N 3.3Å; R751-E753 PolarHBondContact O-N 2.78Å; E753-E756 PolarHBondContact O-N 3.46Å; E753-S757 PolarHBondContact O-N 2.83Å; E753-K780 IonicContact OE1-NZ 3.29Å; E753-K780 PolarHBondContact OE1-NZ 3.36Å
754E86.2Confident85.6Confident91 Ų9159.4 Ų59.443%0.42529%0.292SS..Hα-helixtrans-62.2-46.5172.8-65.1178-172.600110.3A746 R751 E756 S757 M758A746-E754 HydrophobicContact CB-CB 4.49Å; R751-E754 HydrophobicContact CB-CB 4.35Å; R751-E754 HydrophobicContact CB-CG 4.44Å; R751-E754 WeakPolarHBondContact CD-OE2 3.26Å; R751-E754 IonicContact CZ-OE2 3.65Å; R751-E754 IonicContact NE-OE2 3.72Å; R751-E754 IonicContact NH1-OE2 3.88Å; R751-E754 PolarHBondContact NH1-OE2 2.84Å; R751-E754 PolarHBondContact O-N 2.89Å; E754-E756 PolarHBondContact O-N 3.33Å; E754-S757 PolarHBondContact O-N 3.3Å; E754-M758 HydrophobicContact CB-CE 3.89Å; E754-M758 VanDerWaalsContact O-CG 3.3Å; E754-M758 WeakPolarHBondContact O-CG 3.29Å; E754-M758 PolarHBondContact O-N 3.11Å
755A87.1Confident85.4Confident0 Ų062.1 Ų62.10%030%0.3CS..Hα-helixtrans-59.8-44.6177.200000112.3A743 A746 A747 R751 M758 Y759 L771A743-A755 WeakPolarHBondContact O-CB 3.32Å; A746-A755 HydrophobicContact CB-CB 4Å; A747-A755 HydrophobicContact CB-CB 4.02Å; R751-A755 PolarHBondContact O-N 3.36Å; R751-A755 VanDerWaalsContact O-N 3.07Å; A755-M758 PolarHBondContact O-N 3.4Å; A755-Y759 HydrophobicContact CB-CE2 4.35Å; A755-Y759 WeakPolarHBondContact O-CD2 3.49Å; A755-Y759 PolarHBondContact O-N 3.17Å; A755-L771 HydrophobicContact CB-CD2 3.97Å
756E86.2Confident85.2Confident23 Ų2366 Ų6611%0.10732%0.321CS..Hα-helixtrans-59.8-47.7175.3178.3-176.4162.500111.8F752 E753 E754 M758 Y759 L760 A768 R772F752-E756 VanDerWaalsContact O-CB 3.26Å; F752-E756 WeakPolarHBondContact O-CB 3.18Å; F752-E756 PolarHBondContact O-N 2.95Å; E753-E756 PolarHBondContact O-N 3.46Å; E754-E756 PolarHBondContact O-N 3.33Å; E756-M758 VanDerWaalsContact C-N 3.29Å; E756-M758 PolarHBondContact O-N 2.87Å; E756-Y759 PolarHBondContact O-N 3.17Å; E756-L760 HydrophobicContact CG-CD1 4.06Å; E756-L760 HydrophobicContact CG-CG 4.48Å; E756-L760 WeakPolarHBondContact O-CG 3.44Å; E756-L760 PolarHBondContact O-N 2.89Å; E756-A768 HydrophobicContact CG-CB 4.28Å; E756-R772 IonicContact OE2-CZ 2.64Å; E756-R772 IonicContact OE2-NE 2.72Å; E756-R772 PolarHBondContact OE2-NE 3.2Å; E756-R772 IonicContact OE2-NH2 3.97Å; E756-R772 PolarHBondContact OE2-NH2 3.33Å
757S86.8Confident85.1Confident55 Ų5568 Ų6839%0.38533%0.331SS..Hα-helixtrans-60.1-41.2177.5-163.90000111.3E753 E754 L760 H761E753-S757 PolarHBondContact O-N 2.83Å; E754-S757 PolarHBondContact O-N 3.3Å; S757-L760 PolarHBondContact O-N 2.9Å; S757-H761 WeakPolarHBondContact O-CB 3.47Å; S757-H761 PolarHBondContact O-CD2 3.33Å; S757-H761 PolarHBondContact O-N 3.39Å
758M86.1Confident85Confident51 Ų5167.3 Ų67.325%0.25133%0.325SS..Hα-helixtrans-63.1-45175.5-69.7-177.8-131.400111.8Q742 A743 A746 E754 A755 E756 L760 H761 M762Q742-M758 HydrophobicContact CB-SD 4.1Å; A743-M758 HydrophobicContact CB-CB 3.86Å; A743-M758 HydrophobicContact CB-SD 4.28Å; A746-M758 HydrophobicContact CB-CE 3.82Å; E754-M758 HydrophobicContact CB-CE 3.89Å; E754-M758 VanDerWaalsContact O-CG 3.3Å; E754-M758 WeakPolarHBondContact O-CG 3.29Å; E754-M758 PolarHBondContact O-N 3.11Å; A755-M758 PolarHBondContact O-N 3.4Å; E756-M758 VanDerWaalsContact C-N 3.29Å; E756-M758 PolarHBondContact O-N 2.87Å; M758-L760 VanDerWaalsContact C-N 3.33Å; M758-L760 PolarHBondContact O-N 2.81Å; M758-H761 PolarHBondContact O-N 3.48Å; M758-M762 VanDerWaalsContact O-CG 3.26Å; M758-M762 WeakPolarHBondContact O-CG 3.44Å; M758-M762 PolarHBondContact O-N 2.86Å
759Y87.7Confident85Confident4 Ų464.7 Ų64.72%0.01632%0.316CS..Hα-helixtrans-62.9-38.1175.7-71.3-53.8000112.6A743 E744 A755 E756 M762 D763 R764 L767 L771A743-Y759 HydrophobicContact CB-CD1 4.07Å; A743-Y759 HydrophobicContact CB-CE1 3.72Å; A743-Y759 HydrophobicContact CB-CE2 4.19Å; A743-Y759 HydrophobicContact CB-CG 4.46Å; E744-Y759 PolarHBondContact OE1-OH 2.8Å; A755-Y759 HydrophobicContact CB-CE2 4.35Å; A755-Y759 WeakPolarHBondContact O-CD2 3.49Å; A755-Y759 PolarHBondContact O-N 3.17Å; E756-Y759 PolarHBondContact O-N 3.17Å; Y759-M762 PolarHBondContact O-N 3.41Å; Y759-D763 PolarHBondContact O-N 3.12Å; Y759-R764 CarbonylContact O-C 3.52Å; Y759-R764 WeakPolarHBondContact O-CA 3.46Å; Y759-R764 PolarHBondContact O-N 3.18Å; Y759-L767 HydrophobicContact CD1-CB 3.77Å; Y759-L767 HydrophobicContact CD1-CD1 4.02Å; Y759-L767 HydrophobicContact CE1-CB 3.95Å; Y759-L767 HydrophobicContact CE1-CD1 3.91Å; Y759-L767 HydrophobicContact CG-CB 4.1Å; Y759-L771 HydrophobicContact CD2-CD2 4.35Å; Y759-L771 HydrophobicContact CE2-CD2 4.05Å
760L85.6Confident85.1Confident60 Ų6066 Ų6631%0.31433%0.325SS..Hα-helixtrans-68.8-40.5176-69.7173.7000112.2E756 S757 M758 M762 D763 R765 A768 L784E756-L760 HydrophobicContact CG-CD1 4.06Å; E756-L760 HydrophobicContact CG-CG 4.48Å; E756-L760 WeakPolarHBondContact O-CG 3.44Å; E756-L760 PolarHBondContact O-N 2.89Å; S757-L760 PolarHBondContact O-N 2.9Å; M758-L760 VanDerWaalsContact C-N 3.33Å; M758-L760 PolarHBondContact O-N 2.81Å; L760-M762 PolarHBondContact O-N 3.45Å; L760-D763 PolarHBondContact O-N 2.72Å; L760-R765 HydrophobicContact CD2-CB 4.31Å; L760-R765 HydrophobicContact CD2-CG 4.17Å; L760-A768 HydrophobicContact CD2-CB 4.42Å; L760-A768 HydrophobicContact CG-CB 4.49Å; L760-L784 HydrophobicContact CD1-CD2 4.15Å; L760-L784 HydrophobicContact CD2-CD2 4.26Å
761H85.4Confident85.3Confident155 Ų15565.1 Ų65.172%0.71831%0.312SS*.Hα-helixtrans-63.2-26.4173.1-78-56.5000113.1S757 M758 D763S757-H761 WeakPolarHBondContact O-CB 3.47Å; S757-H761 PolarHBondContact O-CD2 3.33Å; S757-H761 PolarHBondContact O-N 3.39Å; M758-H761 PolarHBondContact O-N 3.48Å; H761-D763 VanDerWaalsContact C-N 3.26Å
762M84Confident85.3Confident51 Ų5161.5 Ų61.525%0.25130%0.298SS..THydrogen-bonded Turntrans-84.85.5173.6-66.9172.763.900113.4P739 M740 M758 Y759 L760 R764P739-M762 HydrophobicContact CB-CE 4.45Å; P739-M762 HydrophobicContact CB-CG 4.33Å; P739-M762 HydrophobicContact CB-SD 3.81Å; M740-M762 HydrophobicContact CB-CE 3.86Å; M740-M762 HydrophobicContact CE-CE 3.97Å; M740-M762 HydrophobicContact CG-CE 4.33Å; M758-M762 VanDerWaalsContact O-CG 3.26Å; M758-M762 WeakPolarHBondContact O-CG 3.44Å; M758-M762 PolarHBondContact O-N 2.86Å; Y759-M762 PolarHBondContact O-N 3.41Å; L760-M762 PolarHBondContact O-N 3.45Å; M762-R764 HydrophobicContact CB-CB 4.49Å; M762-R764 HydrophobicContact CB-CG 4.33Å; M762-R764 PolarHBondContact O-N 3.14Å; M762-R764 VanDerWaalsContact O-N 3.13Å
763D81.2Confident85.2Confident150 Ų15060.3 Ų60.380%0.80229%0.294SS*.THydrogen-bonded Turntrans56.421.4-172.2-66.6-38.2000114.3Y759 L760 H761 R765Y759-D763 PolarHBondContact O-N 3.12Å; L760-D763 PolarHBondContact O-N 2.72Å; H761-D763 VanDerWaalsContact C-N 3.26Å; D763-R765 PolarHBondContact O-N 3.49Å
764R83.8Confident85.1Confident89 Ų8961.7 Ų61.734%0.33630%0.298SS..  trans-100.563179.4-69-60.5-58.2-88.32.1111.9Y759 M762 D766 L767 A768Y759-R764 CarbonylContact O-C 3.52Å; Y759-R764 WeakPolarHBondContact O-CA 3.46Å; Y759-R764 PolarHBondContact O-N 3.18Å; M762-R764 HydrophobicContact CB-CB 4.49Å; M762-R764 HydrophobicContact CB-CG 4.33Å; M762-R764 PolarHBondContact O-N 3.14Å; M762-R764 VanDerWaalsContact O-N 3.13Å; R764-D766 VanDerWaalsContact C-OD1 3.25Å; R764-D766 WeakPolarHBondContact CA-OD1 3.04Å; R764-D766 IonicContact CZ-OD1 2.72Å; R764-D766 IonicContact CZ-OD2 3.15Å; R764-D766 IonicContact NE-OD1 2.77Å; R764-D766 PolarHBondContact NE-OD1 2.96Å; R764-D766 IonicContact NE-OD2 2.64Å; R764-D766 PolarHBondContact NE-OD2 2.92Å; R764-D766 IonicContact NH2-OD1 2.78Å; R764-D766 IonicContact NH2-OD2 3.47Å; R764-D766 PolarHBondContact NH2-OD2 3.3Å; R764-D766 PolarHBondContact O-N 2.99Å; R764-L767 HydrophobicContact CB-CB 4.4Å; R764-L767 HydrophobicContact CB-CD1 4.05Å; R764-L767 HydrophobicContact CB-CG 4.31Å; R764-L767 HydrophobicContact CG-CD1 4.38Å; R764-L767 PolarHBondContact O-N 3.31Å; R764-A768 PolarHBondContact O-N 3.41Å
765R81.4Confident85Confident107 Ų10760.5 Ų60.540%0.40429%0.294SS..Hα-helixtrans-61.4-31.2178.2-170.7-178.8-64.5138.32.2112.9L760 D763 L767 A768 I769L760-R765 HydrophobicContact CD2-CB 4.31Å; L760-R765 HydrophobicContact CD2-CG 4.17Å; D763-R765 PolarHBondContact O-N 3.49Å; R765-L767 VanDerWaalsContact C-N 3.31Å; R765-L767 PolarHBondContact O-N 2.97Å; R765-A768 PolarHBondContact O-N 3.05Å; R765-I769 HydrophobicContact CG-CD1 3.92Å; R765-I769 HydrophobicContact CG-CG1 4.29Å; R765-I769 WeakPolarHBondContact O-CG1 3.36Å; R765-I769 PolarHBondContact O-N 3.44Å
766D83Confident84.7Confident87 Ų8762.2 Ų62.247%0.46531%0.312SS..Hα-helixtrans-56-44.1174.562.1-40.6000112.1R764 N770R764-D766 VanDerWaalsContact C-OD1 3.25Å; R764-D766 WeakPolarHBondContact CA-OD1 3.04Å; R764-D766 IonicContact CZ-OD1 2.72Å; R764-D766 IonicContact CZ-OD2 3.15Å; R764-D766 IonicContact NE-OD1 2.77Å; R764-D766 PolarHBondContact NE-OD1 2.96Å; R764-D766 IonicContact NE-OD2 2.64Å; R764-D766 PolarHBondContact NE-OD2 2.92Å; R764-D766 IonicContact NH2-OD1 2.78Å; R764-D766 IonicContact NH2-OD2 3.47Å; R764-D766 PolarHBondContact NH2-OD2 3.3Å; R764-D766 PolarHBondContact O-N 2.99Å; D766-N770 WeakPolarHBondContact O-CB 3.48Å; D766-N770 PolarHBondContact O-N 3.35Å
767L84.8Confident84.7Confident44 Ų4463.3 Ų63.323%0.2332%0.319CS..Hα-helixtrans-71.6-38.1177.4-64.4179.3000112Y759 R764 R765 N770 L771Y759-L767 HydrophobicContact CD1-CB 3.77Å; Y759-L767 HydrophobicContact CD1-CD1 4.02Å; Y759-L767 HydrophobicContact CE1-CB 3.95Å; Y759-L767 HydrophobicContact CE1-CD1 3.91Å; Y759-L767 HydrophobicContact CG-CB 4.1Å; R764-L767 HydrophobicContact CB-CB 4.4Å; R764-L767 HydrophobicContact CB-CD1 4.05Å; R764-L767 HydrophobicContact CB-CG 4.31Å; R764-L767 HydrophobicContact CG-CD1 4.38Å; R764-L767 PolarHBondContact O-N 3.31Å; R765-L767 VanDerWaalsContact C-N 3.31Å; R765-L767 PolarHBondContact O-N 2.97Å; L767-N770 PolarHBondContact O-N 2.93Å; L767-L771 WeakPolarHBondContact O-CB 3.4Å; L767-L771 PolarHBondContact O-N 3.41Å
768A84.3Confident84.7Confident0 Ų063 Ų630%031%0.309CS..Hα-helixtrans-61.9-43.7174.300000112.2E756 L760 R764 R765 L771 R772 L784E756-A768 HydrophobicContact CG-CB 4.28Å; L760-A768 HydrophobicContact CD2-CB 4.42Å; L760-A768 HydrophobicContact CG-CB 4.49Å; R764-A768 PolarHBondContact O-N 3.41Å; R765-A768 PolarHBondContact O-N 3.05Å; A768-L771 PolarHBondContact O-N 2.98Å; A768-R772 WeakPolarHBondContact O-CG 3.37Å; A768-R772 PolarHBondContact O-N 3.06Å; A768-R772 VanDerWaalsContact O-N 3.1Å; A768-L784 HydrophobicContact CB-CD1 4.42Å
769I85.3Confident84.7Confident20 Ų2064.2 Ų64.210%0.10331%0.313CS..Hα-helixtrans-64.5-46.7174.8-70.5168.1000110.2R765 L771 R772 I773 V781 L784 L785R765-I769 HydrophobicContact CG-CD1 3.92Å; R765-I769 HydrophobicContact CG-CG1 4.29Å; R765-I769 WeakPolarHBondContact O-CG1 3.36Å; R765-I769 PolarHBondContact O-N 3.44Å; I769-L771 VanDerWaalsContact C-N 3.31Å; I769-L771 PolarHBondContact O-N 2.85Å; I769-R772 PolarHBondContact O-N 3.06Å; I769-I773 HydrophobicContact CG2-CD1 3.68Å; I769-I773 HydrophobicContact CG2-CG1 4.26Å; I769-I773 VanDerWaalsContact O-CG1 3.29Å; I769-I773 WeakPolarHBondContact O-CG1 3.33Å; I769-I773 PolarHBondContact O-N 2.99Å; I769-V781 HydrophobicContact CG2-CG1 4.17Å; I769-L784 HydrophobicContact CG1-CB 4.02Å; I769-L784 HydrophobicContact CG1-CD1 4.26Å; I769-L785 HydrophobicContact CD1-CD2 3.95Å; I769-L785 HydrophobicContact CD1-CG 4.46Å
770N86.3Confident84.5Confident73 Ų7366.1 Ų66.139%0.3932%0.322SS..Hα-helixtrans-61.9-38.8178.9-163.8-69.4000112.1D766 L767 I773 K774D766-N770 WeakPolarHBondContact O-CB 3.48Å; D766-N770 PolarHBondContact O-N 3.35Å; L767-N770 PolarHBondContact O-N 2.93Å; N770-I773 PolarHBondContact O-N 2.79Å; N770-K774 WeakPolarHBondContact O-CG 3.45Å; N770-K774 PolarHBondContact O-N 3Å; N770-K774 WeakPolarHBondContact OD1-CE 3.47Å; N770-K774 PolarHBondContact OD1-NZ 2.74Å; N770-K774 VanDerWaalsContact OD1-NZ 3.12Å
771L85.8Confident84.4Confident20 Ų2063.2 Ų63.211%0.10531%0.307CS..Hα-helixtrans-57.9-51.8173179.271.3000110.3A747 F752 A755 Y759 L767 A768 I769 I773 K774 L775A747-L771 HydrophobicContact CB-CD1 3.83Å; F752-L771 HydrophobicContact CD1-CD1 4.36Å; A755-L771 HydrophobicContact CB-CD2 3.97Å; Y759-L771 HydrophobicContact CD2-CD2 4.35Å; Y759-L771 HydrophobicContact CE2-CD2 4.05Å; L767-L771 WeakPolarHBondContact O-CB 3.4Å; L767-L771 PolarHBondContact O-N 3.41Å; A768-L771 PolarHBondContact O-N 2.98Å; I769-L771 VanDerWaalsContact C-N 3.31Å; I769-L771 PolarHBondContact O-N 2.85Å; L771-I773 VanDerWaalsContact C-N 3.34Å; L771-I773 PolarHBondContact O-N 2.94Å; L771-K774 WeakPolarHBondContact O-CB 3.41Å; L771-K774 PolarHBondContact O-N 3.19Å; L771-L775 HydrophobicContact CG-CD1 4.13Å; L771-L775 VanDerWaalsContact O-CG 3.29Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.09Å; L771-L775 VanDerWaalsContact O-N 3.07Å
772R86.8Confident84.3Confident12 Ų1257.7 Ų57.75%0.04528%0.282CS..Hα-helixtrans-65.4-35.3-179.4-69.6-71.3177.5-164.5-11.1113.1F752 E756 A768 I769 L775 G776 D777 K780 V781 L784F752-R772 PolarHBondContact O-NH2 3.02Å; E756-R772 IonicContact OE2-CZ 2.64Å; E756-R772 IonicContact OE2-NE 2.72Å; E756-R772 PolarHBondContact OE2-NE 3.2Å; E756-R772 IonicContact OE2-NH2 3.97Å; E756-R772 PolarHBondContact OE2-NH2 3.33Å; A768-R772 WeakPolarHBondContact O-CG 3.37Å; A768-R772 PolarHBondContact O-N 3.06Å; A768-R772 VanDerWaalsContact O-N 3.1Å; I769-R772 PolarHBondContact O-N 3.06Å; R772-L775 PolarHBondContact O-N 3.14Å; R772-G776 PolarHBondContact O-N 3.26Å; R772-G776 VanDerWaalsContact O-N 3.14Å; R772-D777 IonicContact CZ-OD2 3.84Å; R772-D777 IonicContact NH1-OD2 3.93Å; R772-D777 PolarHBondContact NH1-OD2 3.43Å; R772-D777 PolarHBondContact O-N 3.29Å; R772-K780 HydrophobicContact CG-CB 4.26Å; R772-V781 HydrophobicContact CB-CG2 3.51Å; R772-L784 HydrophobicContact CG-CD1 4.18Å
773I85.4Confident84.4Confident40 Ų4060.7 Ų60.721%0.20530%0.296CS..Hα-helixtrans-61.3-47171.7-70.1171.2000110.8I769 N770 L771 L775 G776 W778 V781 L796I769-I773 HydrophobicContact CG2-CD1 3.68Å; I769-I773 HydrophobicContact CG2-CG1 4.26Å; I769-I773 VanDerWaalsContact O-CG1 3.29Å; I769-I773 WeakPolarHBondContact O-CG1 3.33Å; I769-I773 PolarHBondContact O-N 2.99Å; N770-I773 PolarHBondContact O-N 2.79Å; L771-I773 VanDerWaalsContact C-N 3.34Å; L771-I773 PolarHBondContact O-N 2.94Å; I773-L775 PolarHBondContact O-N 3Å; I773-G776 PolarHBondContact O-N 3.07Å; I773-W778 HydrophobicContact CB-CH2 4.49Å; I773-W778 HydrophobicContact CB-CZ3 4.39Å; I773-W778 HydrophobicContact CG1-CE3 4.46Å; I773-W778 HydrophobicContact CG1-CH2 4.39Å; I773-W778 HydrophobicContact CG1-CZ3 3.83Å; I773-W778 HydrophobicContact CG2-CH2 3.79Å; I773-W778 HydrophobicContact CG2-CZ3 4.12Å; I773-V781 HydrophobicContact CG1-CG1 4.25Å; I773-V781 HydrophobicContact CG1-CG2 3.78Å; I773-L796 HydrophobicContact CD1-CD2 3.82Å
774K84.8Confident84.4Confident163 Ų16354.2 Ų54.271%0.70926%0.261SS*.Hα-helixtrans-62-30177.1-76.5171.8176.81590113N770 L771 G776N770-K774 WeakPolarHBondContact O-CG 3.45Å; N770-K774 PolarHBondContact O-N 3Å; N770-K774 WeakPolarHBondContact OD1-CE 3.47Å; N770-K774 PolarHBondContact OD1-NZ 2.74Å; N770-K774 VanDerWaalsContact OD1-NZ 3.12Å; L771-K774 WeakPolarHBondContact O-CB 3.41Å; L771-K774 PolarHBondContact O-N 3.19Å; K774-G776 VanDerWaalsContact C-N 3.3Å
775L83.5Confident84.3Confident66 Ų6651.3 Ų51.335%0.34625%0.252SS..Hα-helixtrans-79.7-12.2175.5-63.5169.8000113.4F752 L771 R772 I773 D777F752-L775 HydrophobicContact CB-CD1 3.71Å; F752-L775 HydrophobicContact CD1-CD1 3.52Å; F752-L775 HydrophobicContact CD1-CD2 3.85Å; F752-L775 HydrophobicContact CD1-CG 4.25Å; F752-L775 HydrophobicContact CD2-CD1 3.75Å; F752-L775 HydrophobicContact CD2-CD2 4Å; F752-L775 HydrophobicContact CE1-CD1 4.02Å; F752-L775 HydrophobicContact CE1-CD2 3.4Å; F752-L775 VanDerWaalsContact CE1-CD2 3.4Å; F752-L775 HydrophobicContact CE1-CG 4.27Å; F752-L775 HydrophobicContact CE2-CD1 4.21Å; F752-L775 HydrophobicContact CE2-CD2 3.56Å; F752-L775 HydrophobicContact CG-CD1 3.36Å; F752-L775 HydrophobicContact CG-CD2 4.13Å; F752-L775 HydrophobicContact CG-CG 4.38Å; F752-L775 HydrophobicContact CZ-CD1 4.33Å; F752-L775 HydrophobicContact CZ-CD2 3.23Å; F752-L775 HydrophobicContact CZ-CG 4.39Å; L771-L775 HydrophobicContact CG-CD1 4.13Å; L771-L775 VanDerWaalsContact O-CG 3.29Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.09Å; L771-L775 VanDerWaalsContact O-N 3.07Å; R772-L775 PolarHBondContact O-N 3.14Å; I773-L775 PolarHBondContact O-N 3Å; L775-D777 HydrophobicContact CB-CB 4.45Å; L775-D777 PolarHBondContact O-N 3.19Å
776G81.6Confident84Confident36 Ų3651.6 Ų51.637%0.37126%0.261SS..THydrogen-bonded Turntrans69.515.8-172.500000113.7R772 I773 K774 W778R772-G776 PolarHBondContact O-N 3.26Å; R772-G776 VanDerWaalsContact O-N 3.14Å; I773-G776 PolarHBondContact O-N 3.07Å; K774-G776 VanDerWaalsContact C-N 3.3Å; G776-W778 VanDerWaalsContact C-N 3.26Å; G776-W778 PolarHBondContact O-N 3.42Å
777D85.4Confident83.5Confident47 Ų4752.4 Ų52.425%0.25127%0.27SS..  trans-85.469.7178.6-172.7-0.6000110.3R772 L775 F779 K780 V781R772-D777 IonicContact CZ-OD2 3.84Å; R772-D777 IonicContact NH1-OD2 3.93Å; R772-D777 PolarHBondContact NH1-OD2 3.43Å; R772-D777 PolarHBondContact O-N 3.29Å; L775-D777 HydrophobicContact CB-CB 4.45Å; L775-D777 PolarHBondContact O-N 3.19Å; D777-F779 PolarHBondContact O-N 3.47Å; D777-K780 PolarHBondContact O-N 2.96Å; D777-K780 PolarHBondContact OD1-N 2.87Å; D777-V781 WeakPolarHBondContact O-CG2 3.36Å; D777-V781 PolarHBondContact O-N 2.76Å
778W86.4Confident82.5Confident47 Ų4751.3 Ų51.318%0.17827%0.268CS..Hα-helixtrans-65.5-21.9-174.3-59.3108.1000113.7I773 G776 V781 L782 Q799 A800 G803 I804I773-W778 HydrophobicContact CB-CH2 4.49Å; I773-W778 HydrophobicContact CB-CZ3 4.39Å; I773-W778 HydrophobicContact CG1-CE3 4.46Å; I773-W778 HydrophobicContact CG1-CH2 4.39Å; I773-W778 HydrophobicContact CG1-CZ3 3.83Å; I773-W778 HydrophobicContact CG2-CH2 3.79Å; I773-W778 HydrophobicContact CG2-CZ3 4.12Å; G776-W778 VanDerWaalsContact C-N 3.26Å; G776-W778 PolarHBondContact O-N 3.42Å; W778-V781 HydrophobicContact CE3-CG2 4.42Å; W778-V781 PolarHBondContact O-N 3.08Å; W778-L782 PolarHBondContact O-N 3.43Å; W778-Q799 HydrophobicContact CH2-CG 4.15Å; W778-Q799 HydrophobicContact CZ3-CG 4.12Å; W778-A800 HydrophobicContact CE3-CB 4.37Å; W778-G803 VanDerWaalsContact CD1-C 3.41Å; W778-I804 HydrophobicContact CB-CD1 4.48Å; W778-I804 HydrophobicContact CB-CG1 3.58Å
779F86.2Confident81Confident78 Ų7857.5 Ų57.534%0.34231%0.312SS..Hα-helixtrans-68.1-46.8176.4-66.4-82.5000111.6D777 V781 L782 Q783 I804 Y807 F808D777-F779 PolarHBondContact O-N 3.47Å; F779-V781 VanDerWaalsContact C-N 3.33Å; F779-L782 PolarHBondContact O-N 3.03Å; F779-Q783 PolarHBondContact O-N 2.84Å; F779-I804 HydrophobicContact CD1-CD1 4.12Å; F779-I804 HydrophobicContact CD1-CG1 4.28Å; F779-I804 HydrophobicContact CD1-CG2 4.39Å; F779-I804 HydrophobicContact CE1-CD1 4.37Å; F779-I804 HydrophobicContact CE1-CG1 4.27Å; F779-I804 HydrophobicContact CE1-CG2 3.61Å; F779-I804 HydrophobicContact CE2-CG2 4.48Å; F779-I804 HydrophobicContact CG-CG1 4.47Å; F779-I804 HydrophobicContact CZ-CG1 4.44Å; F779-I804 HydrophobicContact CZ-CG2 3.66Å; F779-Y807 AromaticContact CE2-CD1 3.53Å; F779-Y807 HydrophobicContact CE2-CD1 3.53Å; F779-Y807 AromaticContact CE2-CE1 3.59Å; F779-Y807 HydrophobicContact CE2-CE1 3.59Å; F779-Y807 HydrophobicContact CE2-CG 4.06Å; F779-Y807 AromaticContact CZ-CD1 3.78Å; F779-Y807 HydrophobicContact CZ-CD1 3.78Å; F779-Y807 AromaticContact CZ-CE1 3.92Å; F779-Y807 HydrophobicContact CZ-CE1 3.92Å; F779-F808 HydrophobicContact CE1-CE2 4.05Å; F779-F808 HydrophobicContact CE1-CZ 4.16Å; F779-F808 AromaticContact CZ-CE2 3.69Å; F779-F808 HydrophobicContact CZ-CE2 3.69Å; F779-F808 AromaticContact CZ-CZ 3.72Å; F779-F808 HydrophobicContact CZ-CZ 3.72Å
780K83.1Confident79.7Confident43 Ų4359.2 Ų59.219%0.18733%0.334CS..Hα-helixtrans-67.9-33.3174.2-99179.9-179.2164.60112.3E753 R772 D777 L782 Q783 L784E753-K780 IonicContact OE1-NZ 3.29Å; E753-K780 PolarHBondContact OE1-NZ 3.36Å; R772-K780 HydrophobicContact CG-CB 4.26Å; D777-K780 PolarHBondContact O-N 2.96Å; D777-K780 PolarHBondContact OD1-N 2.87Å; K780-L782 VanDerWaalsContact C-N 3.32Å; K780-L782 PolarHBondContact O-N 3.02Å; K780-Q783 PolarHBondContact O-N 3.35Å; K780-L784 WeakPolarHBondContact O-CB 3.33Å; K780-L784 VanDerWaalsContact O-CG 3.31Å; K780-L784 WeakPolarHBondContact O-CG 3.12Å; K780-L784 PolarHBondContact O-N 2.95Å
781V84.9Confident78.1Confident0 Ų067.6 Ų67.60%036%0.362CS..Hα-helixtrans-57.1-48172.2174.90000110.6I769 R772 I773 D777 W778 F779 Q783 L784 L785 A800I769-V781 HydrophobicContact CG2-CG1 4.17Å; R772-V781 HydrophobicContact CB-CG2 3.51Å; I773-V781 HydrophobicContact CG1-CG1 4.25Å; I773-V781 HydrophobicContact CG1-CG2 3.78Å; D777-V781 WeakPolarHBondContact O-CG2 3.36Å; D777-V781 PolarHBondContact O-N 2.76Å; W778-V781 HydrophobicContact CE3-CG2 4.42Å; W778-V781 PolarHBondContact O-N 3.08Å; F779-V781 VanDerWaalsContact C-N 3.33Å; V781-Q783 PolarHBondContact O-N 2.8Å; V781-L784 PolarHBondContact O-N 3.06Å; V781-L785 HydrophobicContact CG1-CD1 3.96Å; V781-L785 VanDerWaalsContact O-CG 3.29Å; V781-L785 WeakPolarHBondContact O-CG 3.46Å; V781-L785 PolarHBondContact O-N 2.92Å; V781-A800 HydrophobicContact CG1-CB 4.04Å
782L83.5Confident76.8Confident39 Ų3969.7 Ų69.720%0.20438%0.379CS..Hα-helixtrans-64.1-41.1179.2-167141.6000111.8W778 F779 K780 L785 D786 I804W778-L782 PolarHBondContact O-N 3.43Å; F779-L782 PolarHBondContact O-N 3.03Å; K780-L782 VanDerWaalsContact C-N 3.32Å; K780-L782 PolarHBondContact O-N 3.02Å; L782-L785 PolarHBondContact O-N 2.86Å; L782-D786 VanDerWaalsContact CD2-OD2 3.31Å; L782-D786 WeakPolarHBondContact CD2-OD2 3.17Å; L782-D786 PolarHBondContact O-N 2.67Å; L782-I804 HydrophobicContact CB-CD1 4.25Å; L782-I804 HydrophobicContact CD1-CD1 3.83Å
783Q84.5Confident76.1Confident114 Ų11473.3 Ų73.353%0.53340%0.399SS..Hα-helixtrans-61.1-45.4174-172.8-1804.400112.3F779 K780 V781 L785 D786 T787F779-Q783 PolarHBondContact O-N 2.84Å; K780-Q783 PolarHBondContact O-N 3.35Å; V781-Q783 PolarHBondContact O-N 2.8Å; Q783-L785 VanDerWaalsContact C-N 3.26Å; Q783-L785 PolarHBondContact O-N 3.42Å; Q783-D786 PolarHBondContact O-N 2.88Å; Q783-T787 PolarHBondContact O-N 2.98Å; Q783-T787 PolarHBondContact O-OG1 3.03Å
784L82.7Confident75.6Confident14 Ų1477.1 Ų77.17%0.07342%0.42CS..Hα-helixtrans-64.8-30.3178.3-74.2172.6000112.7L760 A768 I769 R772 K780 V781L760-L784 HydrophobicContact CD1-CD2 4.15Å; L760-L784 HydrophobicContact CD2-CD2 4.26Å; A768-L784 HydrophobicContact CB-CD1 4.42Å; I769-L784 HydrophobicContact CG1-CB 4.02Å; I769-L784 HydrophobicContact CG1-CD1 4.26Å; R772-L784 HydrophobicContact CG-CD1 4.18Å; K780-L784 WeakPolarHBondContact O-CB 3.33Å; K780-L784 VanDerWaalsContact O-CG 3.31Å; K780-L784 WeakPolarHBondContact O-CG 3.12Å; K780-L784 PolarHBondContact O-N 2.95Å; V781-L784 PolarHBondContact O-N 3.06Å
785L81.4Confident75.4Confident27 Ų2772.4 Ų72.414%0.14141%0.411CS..Hα-helixtrans-72.3-45172.8-70.8168.7000111.5I769 V781 L782 Q783 T787 G788 A800I769-L785 HydrophobicContact CD1-CD2 3.95Å; I769-L785 HydrophobicContact CD1-CG 4.46Å; V781-L785 HydrophobicContact CG1-CD1 3.96Å; V781-L785 VanDerWaalsContact O-CG 3.29Å; V781-L785 WeakPolarHBondContact O-CG 3.46Å; V781-L785 PolarHBondContact O-N 2.92Å; L782-L785 PolarHBondContact O-N 2.86Å; Q783-L785 VanDerWaalsContact C-N 3.26Å; Q783-L785 PolarHBondContact O-N 3.42Å; L785-T787 VanDerWaalsContact C-N 3.34Å; L785-T787 PolarHBondContact O-N 2.87Å; L785-G788 PolarHBondContact O-N 2.84Å; L785-A800 HydrophobicContact CD1-CB 4.43Å
786D75.1Confident75.3Confident113 Ų11371.6 Ų71.660%0.60441%0.407SS*.Hα-helixtrans-67.8-30.5-179.3-75-14.6000113.2L782 Q783 G788L782-D786 VanDerWaalsContact CD2-OD2 3.31Å; L782-D786 WeakPolarHBondContact CD2-OD2 3.17Å; L782-D786 PolarHBondContact O-N 2.67Å; Q783-D786 PolarHBondContact O-N 2.88Å; D786-G788 VanDerWaalsContact C-N 3.27Å; D786-G788 PolarHBondContact O-N 2.96Å
787T73Confident75.4Confident105 Ų10572.3 Ų72.364%0.64440%0.402SS*.THydrogen-bonded Turntrans-81.3-5.6-178.9-32.50000112.6Q783 L785Q783-T787 PolarHBondContact O-N 2.98Å; Q783-T787 PolarHBondContact O-OG1 3.03Å; L785-T787 VanDerWaalsContact C-N 3.34Å; L785-T787 PolarHBondContact O-N 2.87Å
788G63Low75.4Confident20 Ų2071.3 Ų71.321%0.20640%0.4CS..  trans-89.1122.8-176.800000113.7L785 D786 G790L785-G788 PolarHBondContact O-N 2.84Å; D786-G788 VanDerWaalsContact C-N 3.27Å; D786-G788 PolarHBondContact O-N 2.96Å; G788-G790 PolarHBondContact O-N 2.88Å
789S52.9Low75.4Confident131 Ų13173.6 Ų73.692%0.91641%0.413SS*.SBendtrans-80.253.1174.263.10000113.4
790G58.1Low75.4Confident55 Ų5569.9 Ų69.957%0.56740%0.397SS*.SBendtrans-151158.9178.300000111.6G788 S792G788-G790 PolarHBondContact O-N 2.88Å; G790-S792 PolarHBondContact O-N 3.19Å
791Y52.8Low75.7Confident249 Ų24968.1 Ų68.198%0.97639%0.389SS*.  trans-43.3108.2177.4-81.7-93.2000110.6D793Y791-D793 PolarHBondContact O-N 2.78Å
792S58.6Low75.9Confident65 Ų6569.6 Ų69.646%0.45540%0.397SS..  trans-66.6125.2176.651.70000108.6G790 D794G790-S792 PolarHBondContact O-N 3.19Å; S792-D794 PolarHBondContact O-N 2.98Å
793D71.1Confident76.1Confident88 Ų8868 Ų6847%0.47139%0.39SS..  trans-69.4101.2172.2-174.9-5.3000108.6Y791 A795 L796 L797Y791-D793 PolarHBondContact O-N 2.78Å; D793-A795 PolarHBondContact O-N 3.19Å; D793-A795 WeakPolarHBondContact OD1-CB 3.34Å; D793-A795 PolarHBondContact OD1-N 3.19Å; D793-L796 HydrophobicContact CB-CB 4.17Å; D793-L796 HydrophobicContact CB-CD1 4.02Å; D793-L796 PolarHBondContact O-N 3.41Å; D793-L797 PolarHBondContact O-N 3.11Å
794D76.1Confident76.2Confident119 Ų11962.7 Ų62.764%0.63637%0.365SS*.Hα-helixtrans-53.2-27.9-178.7-77.5-9.6000112.2S792 A798S792-D794 PolarHBondContact O-N 2.98Å; D794-A798 WeakPolarHBondContact O-CB 3.34Å; D794-A798 PolarHBondContact O-N 3.43Å
795A79.9Confident76.5Confident65 Ų6562 Ų6254%0.53736%0.362SS..Hα-helixtrans-70.7-43.6176.800000112.2D793 L797 A798 Q799D793-A795 PolarHBondContact O-N 3.19Å; D793-A795 WeakPolarHBondContact OD1-CB 3.34Å; D793-A795 PolarHBondContact OD1-N 3.19Å; A795-L797 VanDerWaalsContact C-N 3.33Å; A795-A798 PolarHBondContact O-N 3.19Å; A795-Q799 WeakPolarHBondContact O-CB 3.27Å; A795-Q799 PolarHBondContact O-N 2.99Å
796L82Confident76.9Confident48 Ų4863 Ų6325%0.25137%0.367SS..Hα-helixtrans-66.7-36.1175.2-91.7157.5000111.6I773 D793 Q799 A800I773-L796 HydrophobicContact CD1-CD2 3.82Å; D793-L796 HydrophobicContact CB-CB 4.17Å; D793-L796 HydrophobicContact CB-CD1 4.02Å; D793-L796 PolarHBondContact O-N 3.41Å; L796-Q799 PolarHBondContact O-N 3.4Å; L796-A800 WeakPolarHBondContact O-CB 3.18Å; L796-A800 PolarHBondContact O-N 3.18Å
797L83.8Confident77.5Confident52 Ų5261.5 Ų61.527%0.27235%0.354SS..Hα-helixtrans-67.9-41.3175.9-168.6141.7000111.6D793 A795 Q799 A800 N801D793-L797 PolarHBondContact O-N 3.11Å; A795-L797 VanDerWaalsContact C-N 3.33Å; L797-Q799 VanDerWaalsContact C-N 3.34Å; L797-A800 PolarHBondContact O-N 3.19Å; L797-N801 VanDerWaalsContact CD2-ND2 3.35Å; L797-N801 WeakPolarHBondContact CD2-ND2 3.37Å; L797-N801 PolarHBondContact O-N 3.39Å; L797-N801 PolarHBondContact O-ND2 3Å
798A84.8Confident78.1Confident26 Ų2657.7 Ų57.722%0.21533%0.329CS..Hα-helixtrans-62.3-42.6172.100000111.5D794 A795 N801 N802D794-A798 WeakPolarHBondContact O-CB 3.34Å; D794-A798 PolarHBondContact O-N 3.43Å; A795-A798 PolarHBondContact O-N 3.19Å; A798-N801 PolarHBondContact O-N 2.92Å; A798-N802 VanDerWaalsContact O-CG 3.31Å; A798-N802 PolarHBondContact O-N 3.39Å; A798-N802 PolarHBondContact O-ND2 3.31Å
799Q86Confident79.2Confident94 Ų9457 Ų5744%0.43932%0.32SS..Hα-helixtrans-62.2-44.4176.4-171.8-179.88.100112.3W778 A795 L796 L797 N802 G803W778-Q799 HydrophobicContact CH2-CG 4.15Å; W778-Q799 HydrophobicContact CZ3-CG 4.12Å; A795-Q799 WeakPolarHBondContact O-CB 3.27Å; A795-Q799 PolarHBondContact O-N 2.99Å; L796-Q799 PolarHBondContact O-N 3.4Å; L797-Q799 VanDerWaalsContact C-N 3.34Å; Q799-N802 PolarHBondContact O-N 3.18Å; Q799-G803 PolarHBondContact O-N 2.76Å
800A86.5Confident80.8Confident0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-63.4-43.1177.800000112W778 V781 L785 L796 L797 G803 I804W778-A800 HydrophobicContact CE3-CB 4.37Å; V781-A800 HydrophobicContact CG1-CB 4.04Å; L785-A800 HydrophobicContact CD1-CB 4.43Å; L796-A800 WeakPolarHBondContact O-CB 3.18Å; L796-A800 PolarHBondContact O-N 3.18Å; L797-A800 PolarHBondContact O-N 3.19Å; A800-G803 PolarHBondContact O-N 2.8Å; A800-I804 WeakPolarHBondContact O-CG1 3.44Å; A800-I804 PolarHBondContact O-N 2.98Å
801N88.6Confident82.1Confident6 Ų661.2 Ų61.23%0.03231%0.309CS..Hα-helixtrans-63.2-41.4175.3-78.3-69.8000112L797 A798 I804 G805 Y820 K823L797-N801 VanDerWaalsContact CD2-ND2 3.35Å; L797-N801 WeakPolarHBondContact CD2-ND2 3.37Å; L797-N801 PolarHBondContact O-N 3.39Å; L797-N801 PolarHBondContact O-ND2 3Å; A798-N801 PolarHBondContact O-N 2.92Å; N801-I804 PolarHBondContact O-N 3.37Å; N801-G805 PolarHBondContact O-N 2.92Å; N801-Y820 WeakPolarHBondContact O-CB 3.3Å; N801-K823 HydrophobicContact CB-CB 4.25Å
802N89.5Confident83.7Confident31 Ų3156.6 Ų56.617%0.16630%0.296CS..Hα-helixtrans-63.4-41.2175.1-72.3-30.4000112A798 Q799 I804 G805 D806 G824 N826A798-N802 VanDerWaalsContact O-CG 3.31Å; A798-N802 PolarHBondContact O-N 3.39Å; A798-N802 PolarHBondContact O-ND2 3.31Å; Q799-N802 PolarHBondContact O-N 3.18Å; N802-I804 PolarHBondContact O-N 3.09Å; N802-G805 WeakPolarHBondContact O-CA 3.42Å; N802-G805 PolarHBondContact O-N 3.35Å; N802-D806 PolarHBondContact O-N 3.13Å; N802-G824 PolarHBondContact ND2-O 2.86Å; N802-G824 WeakPolarHBondContact OD1-CA 3.44Å; N802-G824 PolarHBondContact OD1-O 3.49Å; N802-N826 WeakPolarHBondContact OD1-CB 3.37Å
803G87.1Confident85Confident6 Ų658.7 Ų58.76%0.06230%0.297CS..Hα-helixtrans-64.3-36.8175.200000113.8W778 Q799 A800 D806 Y807W778-G803 VanDerWaalsContact CD1-C 3.41Å; Q799-G803 PolarHBondContact O-N 2.76Å; A800-G803 PolarHBondContact O-N 2.8Å; G803-D806 PolarHBondContact O-N 3.36Å; G803-Y807 WeakPolarHBondContact O-CB 3.31Å; G803-Y807 PolarHBondContact O-N 3.47Å
804I87.9Confident85.8Confident2 Ų257.4 Ų57.41%0.0129%0.286CS..Hα-helixtrans-67.3-39.9171.6-66.1169.1000110.9W778 F779 L782 A800 N801 N802 Y807 F808 Y820W778-I804 HydrophobicContact CB-CD1 4.48Å; W778-I804 HydrophobicContact CB-CG1 3.58Å; F779-I804 HydrophobicContact CD1-CD1 4.12Å; F779-I804 HydrophobicContact CD1-CG1 4.28Å; F779-I804 HydrophobicContact CD1-CG2 4.39Å; F779-I804 HydrophobicContact CE1-CD1 4.37Å; F779-I804 HydrophobicContact CE1-CG1 4.27Å; F779-I804 HydrophobicContact CE1-CG2 3.61Å; F779-I804 HydrophobicContact CE2-CG2 4.48Å; F779-I804 HydrophobicContact CG-CG1 4.47Å; F779-I804 HydrophobicContact CZ-CG1 4.44Å; F779-I804 HydrophobicContact CZ-CG2 3.66Å; L782-I804 HydrophobicContact CB-CD1 4.25Å; L782-I804 HydrophobicContact CD1-CD1 3.83Å; A800-I804 WeakPolarHBondContact O-CG1 3.44Å; A800-I804 PolarHBondContact O-N 2.98Å; N801-I804 PolarHBondContact O-N 3.37Å; N802-I804 PolarHBondContact O-N 3.09Å; I804-Y807 WeakPolarHBondContact O-CB 3.49Å; I804-Y807 PolarHBondContact O-N 3.25Å; I804-F808 HydrophobicContact CG2-CD2 3.88Å; I804-F808 HydrophobicContact CG2-CE2 3.64Å; I804-F808 VanDerWaalsContact O-CD2 3.25Å; I804-F808 WeakPolarHBondContact O-CD2 3.4Å; I804-F808 PolarHBondContact O-N 3.33Å; I804-F808 VanDerWaalsContact O-N 3.17Å; I804-Y820 HydrophobicContact CB-CD1 4.16Å; I804-Y820 HydrophobicContact CB-CG 4.27Å; I804-Y820 HydrophobicContact CD1-CD1 4.48Å; I804-Y820 HydrophobicContact CD1-CE1 4.37Å; I804-Y820 HydrophobicContact CG2-CD1 3.69Å; I804-Y820 HydrophobicContact CG2-CD2 3.75Å; I804-Y820 HydrophobicContact CG2-CE1 3.73Å; I804-Y820 HydrophobicContact CG2-CE2 3.83Å; I804-Y820 HydrophobicContact CG2-CG 3.7Å
805G89Confident86.4Confident0 Ų056.9 Ų56.90%029%0.286CS..Hα-helixtrans-56.3-51.2172.600000111.6N801 N802 Y807 F808 A809 Y821N801-G805 PolarHBondContact O-N 2.92Å; N802-G805 WeakPolarHBondContact O-CA 3.42Å; N802-G805 PolarHBondContact O-N 3.35Å; G805-Y807 VanDerWaalsContact C-N 3.33Å; G805-Y807 PolarHBondContact O-N 3.2Å; G805-F808 PolarHBondContact O-N 3Å; G805-F808 VanDerWaalsContact O-N 3.12Å; G805-A809 WeakPolarHBondContact O-CB 3.43Å; G805-A809 PolarHBondContact O-N 3.08Å; G805-Y821 PolarHBondContact O-OH 3Å
806D88.4Confident86.8Confident47 Ų4759.5 Ų59.525%0.25129%0.286SS..Hα-helixtrans-59.7-42.2178.2-71.7-16000111.4N802 G803 F808 A809 D810 Y821 R829N802-D806 PolarHBondContact O-N 3.13Å; G803-D806 PolarHBondContact O-N 3.36Å; D806-F808 VanDerWaalsContact C-N 3.3Å; D806-F808 PolarHBondContact O-N 3.34Å; D806-A809 PolarHBondContact O-N 3.47Å; D806-A809 VanDerWaalsContact O-N 3.17Å; D806-D810 WeakPolarHBondContact O-CB 3.44Å; D806-D810 PolarHBondContact O-N 3.02Å; D806-Y821 VanDerWaalsContact CA-OH 3.23Å; D806-Y821 WeakPolarHBondContact CA-OH 3.33Å; D806-Y821 PolarHBondContact N-OH 3.11Å; D806-Y821 VanDerWaalsContact N-OH 3.11Å; D806-Y821 WeakPolarHBondContact OD1-CE1 3.49Å; D806-Y821 PolarHBondContact OD1-OH 3.09Å; D806-R829 IonicContact OD1-CZ 3.98Å; D806-R829 IonicContact OD1-NE 2.78Å; D806-R829 IonicContact OD1-NH2 3.6Å
807Y87.7Confident87.2Confident83 Ų8357.2 Ų57.233%0.32527%0.274SS..Hα-helixtrans-57.3-39.6175.1172.7-93.6000113.4F779 G803 I804 G805 R811F779-Y807 AromaticContact CE2-CD1 3.53Å; F779-Y807 HydrophobicContact CE2-CD1 3.53Å; F779-Y807 AromaticContact CE2-CE1 3.59Å; F779-Y807 HydrophobicContact CE2-CE1 3.59Å; F779-Y807 HydrophobicContact CE2-CG 4.06Å; F779-Y807 AromaticContact CZ-CD1 3.78Å; F779-Y807 HydrophobicContact CZ-CD1 3.78Å; F779-Y807 AromaticContact CZ-CE1 3.92Å; F779-Y807 HydrophobicContact CZ-CE1 3.92Å; G803-Y807 WeakPolarHBondContact O-CB 3.31Å; G803-Y807 PolarHBondContact O-N 3.47Å; I804-Y807 WeakPolarHBondContact O-CB 3.49Å; I804-Y807 PolarHBondContact O-N 3.25Å; G805-Y807 VanDerWaalsContact C-N 3.33Å; G805-Y807 PolarHBondContact O-N 3.2Å; Y807-R811 VanDerWaalsContact CZ-CZ 3.48Å; Y807-R811 PolarHBondContact OH-NH1 2.61Å; Y807-R811 PolarHBondContact OH-NH2 3.43Å
808F87.6Confident87.4Confident25 Ų2555.7 Ų55.711%0.1127%0.266CS..Hα-helixtrans-77.2-37.1175.8-75.4-60.9000112.5F779 I804 G805 D806 R811 Q812 K813 K816 A817 Y820F779-F808 HydrophobicContact CE1-CE2 4.05Å; F779-F808 HydrophobicContact CE1-CZ 4.16Å; F779-F808 AromaticContact CZ-CE2 3.69Å; F779-F808 HydrophobicContact CZ-CE2 3.69Å; F779-F808 AromaticContact CZ-CZ 3.72Å; F779-F808 HydrophobicContact CZ-CZ 3.72Å; I804-F808 HydrophobicContact CG2-CD2 3.88Å; I804-F808 HydrophobicContact CG2-CE2 3.64Å; I804-F808 VanDerWaalsContact O-CD2 3.25Å; I804-F808 WeakPolarHBondContact O-CD2 3.4Å; I804-F808 PolarHBondContact O-N 3.33Å; I804-F808 VanDerWaalsContact O-N 3.17Å; G805-F808 PolarHBondContact O-N 3Å; G805-F808 VanDerWaalsContact O-N 3.12Å; D806-F808 VanDerWaalsContact C-N 3.3Å; D806-F808 PolarHBondContact O-N 3.34Å; F808-R811 PolarHBondContact O-N 3.14Å; F808-Q812 PolarHBondContact O-N 3.36Å; F808-K813 HydrophobicContact CB-CB 4.37Å; F808-K813 HydrophobicContact CD1-CB 4.18Å; F808-K813 HydrophobicContact CD1-CD 4.33Å; F808-K813 PolarHBondContact O-N 3.18Å; F808-K816 HydrophobicContact CD1-CB 4.06Å; F808-K816 HydrophobicContact CD1-CD 4.4Å; F808-K816 HydrophobicContact CD2-CB 4.29Å; F808-K816 HydrophobicContact CE1-CB 4.33Å; F808-K816 HydrophobicContact CE1-CD 4.07Å; F808-K816 HydrophobicContact CG-CB 4.04Å; F808-A817 HydrophobicContact CB-CB 3.89Å; F808-Y820 HydrophobicContact CD2-CD2 4.01Å; F808-Y820 AromaticContact CD2-CE2 3.95Å; F808-Y820 HydrophobicContact CD2-CE2 3.95Å; F808-Y820 HydrophobicContact CE2-CD2 4.06Å; F808-Y820 AromaticContact CE2-CE2 3.53Å; F808-Y820 HydrophobicContact CE2-CE2 3.53Å
809A86.1Confident87.7Confident4 Ų457.2 Ų57.23%0.03327%0.274CS..Hα-helixtrans-61.9-46.1177.200000112G805 D806 R811 Q812 W814 Y821G805-A809 WeakPolarHBondContact O-CB 3.43Å; G805-A809 PolarHBondContact O-N 3.08Å; D806-A809 PolarHBondContact O-N 3.47Å; D806-A809 VanDerWaalsContact O-N 3.17Å; A809-R811 PolarHBondContact O-N 2.87Å; A809-Q812 WeakPolarHBondContact O-CA 3.37Å; A809-Q812 PolarHBondContact O-N 2.93Å; A809-W814 HydrophobicContact CB-CE3 4.1Å; A809-W814 HydrophobicContact CB-CH2 4.29Å; A809-W814 HydrophobicContact CB-CZ3 3.6Å; A809-W814 WeakPolarHBondContact O-CH2 3.28Å; A809-Y821 HydrophobicContact CB-CE2 4.42Å; A809-Y821 WeakPolarHBondContact CB-OH 3.48Å
810D84.9Confident87.9Confident130 Ų13055.9 Ų55.970%0.69527%0.266SS*.Hα-helixtrans-61.5-27.6178.9-72.7-15.3000112.7D806 Q812D806-D810 WeakPolarHBondContact O-CB 3.44Å; D806-D810 PolarHBondContact O-N 3.02Å; D810-Q812 VanDerWaalsContact C-N 3.34Å
811R85.8Confident88.1Confident146 Ų14655.9 Ų55.955%0.55127%0.266SS*.THydrogen-bonded Turntrans-93.111.9175.4-64.2-176.6179.3-159.72.7113.6Y807 F808 A809 K813Y807-R811 VanDerWaalsContact CZ-CZ 3.48Å; Y807-R811 PolarHBondContact OH-NH1 2.61Å; Y807-R811 PolarHBondContact OH-NH2 3.43Å; F808-R811 PolarHBondContact O-N 3.14Å; A809-R811 PolarHBondContact O-N 2.87Å; R811-K813 PolarHBondContact O-N 2.99Å
812Q85.4Confident88.1Confident151 Ų15160.1 Ų60.171%0.70629%0.288SS*.THydrogen-bonded Turntrans59.825.2-179.6-53.7179-2.800114.2F808 A809 D810 W814F808-Q812 PolarHBondContact O-N 3.36Å; A809-Q812 WeakPolarHBondContact O-CA 3.37Å; A809-Q812 PolarHBondContact O-N 2.93Å; D810-Q812 VanDerWaalsContact C-N 3.34Å; Q812-W814 HydrophobicContact CG-CZ2 4.47Å; Q812-W814 PolarHBondContact O-N 2.88Å
813K86.6Confident87.9Confident109 Ų10965.2 Ų65.247%0.47431%0.309SS..  trans-96.859177.4-66.1-174.4-177.4179.20111.2F808 R811 V815 K816 A817F808-K813 HydrophobicContact CB-CB 4.37Å; F808-K813 HydrophobicContact CD1-CB 4.18Å; F808-K813 HydrophobicContact CD1-CD 4.33Å; F808-K813 PolarHBondContact O-N 3.18Å; R811-K813 PolarHBondContact O-N 2.99Å; K813-V815 PolarHBondContact O-N 3.27Å; K813-K816 PolarHBondContact O-N 3.08Å; K813-K816 VanDerWaalsContact O-N 3.1Å; K813-A817 PolarHBondContact O-N 3.41Å
814W88.3Confident87.8Confident61 Ų6165.1 Ų65.123%0.23131%0.308CS..Hα-helixtrans-56.6-40.8-171.6-49.4106.6000114.2A809 Q812 K816 A817 V818 K836 L837A809-W814 HydrophobicContact CB-CE3 4.1Å; A809-W814 HydrophobicContact CB-CH2 4.29Å; A809-W814 HydrophobicContact CB-CZ3 3.6Å; A809-W814 WeakPolarHBondContact O-CH2 3.28Å; Q812-W814 HydrophobicContact CG-CZ2 4.47Å; Q812-W814 PolarHBondContact O-N 2.88Å; W814-K816 PolarHBondContact O-N 3.36Å; W814-A817 WeakPolarHBondContact O-CB 3.39Å; W814-A817 PolarHBondContact O-N 3.36Å; W814-V818 PolarHBondContact O-N 3.28Å; W814-K836 HydrophobicContact CD2-CB 3.87Å; W814-K836 HydrophobicContact CD2-CG 4.28Å; W814-K836 HydrophobicContact CE3-CB 4.37Å; W814-K836 HydrophobicContact CE3-CG 4.47Å; W814-K836 HydrophobicContact CG-CB 4.04Å; W814-K836 HydrophobicContact CH2-CG 4.27Å; W814-K836 HydrophobicContact CZ2-CB 4.41Å; W814-K836 HydrophobicContact CZ2-CG 4.06Å; W814-K836 HydrophobicContact CZ3-CG 4.45Å; W814-L837 HydrophobicContact CB-CD1 4.01Å; W814-L837 HydrophobicContact CB-CD2 3.64Å; W814-L837 HydrophobicContact CB-CG 3.58Å
815V89.4Confident87.7Confident108 Ų10875.4 Ų75.466%0.65535%0.347SS*.Hα-helixtrans-56.1-38.7178.7-176.60000111.8K813 P819 L837K813-V815 PolarHBondContact O-N 3.27Å; V815-P819 WeakPolarHBondContact O-CD 3.35Å; V815-L837 HydrophobicContact CB-CD2 4.49Å; V815-L837 HydrophobicContact CG2-CD1 4.42Å; V815-L837 HydrophobicContact CG2-CD2 3.47Å; V815-L837 VanDerWaalsContact CG2-CD2 3.47Å
816K88.2Confident87.6Confident121 Ų12177.2 Ų77.253%0.52636%0.356SS..Hα-helixtrans-79.2-24.9179.6-66.6-169.1177.4-168.40112.3F808 K813 W814 P819 Y820F808-K816 HydrophobicContact CD1-CB 4.06Å; F808-K816 HydrophobicContact CD1-CD 4.4Å; F808-K816 HydrophobicContact CD2-CB 4.29Å; F808-K816 HydrophobicContact CE1-CB 4.33Å; F808-K816 HydrophobicContact CE1-CD 4.07Å; F808-K816 HydrophobicContact CG-CB 4.04Å; K813-K816 PolarHBondContact O-N 3.08Å; K813-K816 VanDerWaalsContact O-N 3.1Å; W814-K816 PolarHBondContact O-N 3.36Å; K816-P819 WeakPolarHBondContact O-CD 3.16Å; K816-P819 WeakPolarHBondContact O-CG 3.4Å; K816-Y820 WeakPolarHBondContact O-CD2 3.3Å; K816-Y820 WeakPolarHBondContact O-CE2 3.5Å
817A89.8Confident87.6Confident0 Ų078.9 Ų78.90%036%0.363CS..Hα-helixtrans-74.6-38.9-17900000112.7F808 K813 W814 Y820 Y821F808-A817 HydrophobicContact CB-CB 3.89Å; K813-A817 PolarHBondContact O-N 3.41Å; W814-A817 WeakPolarHBondContact O-CB 3.39Å; W814-A817 PolarHBondContact O-N 3.36Å; A817-Y820 PolarHBondContact O-N 3.1Å; A817-Y821 HydrophobicContact CB-CD2 4.04Å; A817-Y821 HydrophobicContact CB-CE2 3.74Å; A817-Y821 WeakPolarHBondContact O-CD2 3.32Å; A817-Y821 PolarHBondContact O-N 3.22Å
818V88.9Confident87.7Confident19 Ų1980.5 Ų80.512%0.11537%0.373CS..Hα-helixtrans-45.3-54.1179.8170.70000114.4W814 Y820 Y821 L822 L830 C833 Y834 L837W814-V818 PolarHBondContact O-N 3.28Å; V818-Y820 PolarHBondContact O-N 3.33Å; V818-Y821 PolarHBondContact O-N 3.21Å; V818-L822 HydrophobicContact CG1-CD1 3.99Å; V818-L822 WeakPolarHBondContact O-CG 3.06Å; V818-L822 PolarHBondContact O-N 3.07Å; V818-L830 HydrophobicContact CB-CD1 4.43Å; V818-L830 HydrophobicContact CG1-CD1 3.96Å; V818-L830 HydrophobicContact CG2-CD1 4.43Å; V818-C833 HydrophobicContact CG2-CB 3.82Å; V818-Y834 HydrophobicContact CG1-CE1 4.09Å; V818-Y834 HydrophobicContact CG2-CE1 4.39Å; V818-L837 HydrophobicContact CG2-CD1 3.78Å
819P90.6Very high87.7Confident59 Ų5983.9 Ų83.938%0.38339%0.385SS..Hα-helixtrans-63.7-28.5-178.624.9-35.8000113.4V815 K816 K823V815-P819 WeakPolarHBondContact O-CD 3.35Å; K816-P819 WeakPolarHBondContact O-CD 3.16Å; K816-P819 WeakPolarHBondContact O-CG 3.4Å; P819-K823 WeakPolarHBondContact O-CG 3.41Å; P819-K823 PolarHBondContact O-N 3.02Å
820Y90.2Very high87.9Confident65 Ų6584 Ų8426%0.25539%0.386SS..Hα-helixtrans-78.2-39.1177.7-65.6-75.6000111.7N801 I804 F808 K816 A817 V818 L822 K823 G824N801-Y820 WeakPolarHBondContact O-CB 3.3Å; I804-Y820 HydrophobicContact CB-CD1 4.16Å; I804-Y820 HydrophobicContact CB-CG 4.27Å; I804-Y820 HydrophobicContact CD1-CD1 4.48Å; I804-Y820 HydrophobicContact CD1-CE1 4.37Å; I804-Y820 HydrophobicContact CG2-CD1 3.69Å; I804-Y820 HydrophobicContact CG2-CD2 3.75Å; I804-Y820 HydrophobicContact CG2-CE1 3.73Å; I804-Y820 HydrophobicContact CG2-CE2 3.83Å; I804-Y820 HydrophobicContact CG2-CG 3.7Å; F808-Y820 HydrophobicContact CD2-CD2 4.01Å; F808-Y820 AromaticContact CD2-CE2 3.95Å; F808-Y820 HydrophobicContact CD2-CE2 3.95Å; F808-Y820 HydrophobicContact CE2-CD2 4.06Å; F808-Y820 AromaticContact CE2-CE2 3.53Å; F808-Y820 HydrophobicContact CE2-CE2 3.53Å; K816-Y820 WeakPolarHBondContact O-CD2 3.3Å; K816-Y820 WeakPolarHBondContact O-CE2 3.5Å; A817-Y820 PolarHBondContact O-N 3.1Å; V818-Y820 PolarHBondContact O-N 3.33Å; Y820-L822 VanDerWaalsContact C-N 3.33Å; Y820-L822 PolarHBondContact O-N 2.82Å; Y820-K823 PolarHBondContact O-N 3.31Å; Y820-G824 PolarHBondContact O-N 2.88Å
821Y90.8Very high88.1Confident1 Ų177.9 Ų77.90%0.00435%0.353CS..Hα-helixtrans-67.1-33.7173.6-69-51.9000113G805 D806 A809 A817 V818 G824 R825 N826 R829 C833G805-Y821 PolarHBondContact O-OH 3Å; D806-Y821 VanDerWaalsContact CA-OH 3.23Å; D806-Y821 WeakPolarHBondContact CA-OH 3.33Å; D806-Y821 PolarHBondContact N-OH 3.11Å; D806-Y821 VanDerWaalsContact N-OH 3.11Å; D806-Y821 WeakPolarHBondContact OD1-CE1 3.49Å; D806-Y821 PolarHBondContact OD1-OH 3.09Å; A809-Y821 HydrophobicContact CB-CE2 4.42Å; A809-Y821 WeakPolarHBondContact CB-OH 3.48Å; A817-Y821 HydrophobicContact CB-CD2 4.04Å; A817-Y821 HydrophobicContact CB-CE2 3.74Å; A817-Y821 WeakPolarHBondContact O-CD2 3.32Å; A817-Y821 PolarHBondContact O-N 3.22Å; V818-Y821 PolarHBondContact O-N 3.21Å; Y821-G824 CarbonylContact O-C 3.52Å; Y821-G824 PolarHBondContact O-N 2.97Å; Y821-R825 PolarHBondContact O-N 3.2Å; Y821-N826 HydrophobicContact CD1-CB 4.23Å; Y821-N826 PolarHBondContact O-N 3.43Å; Y821-R829 HydrophobicContact CD1-CB 3.9Å; Y821-R829 HydrophobicContact CD2-CB 4.22Å; Y821-R829 HydrophobicContact CE1-CB 3.63Å; Y821-R829 HydrophobicContact CE1-CG 4.01Å; Y821-R829 HydrophobicContact CE2-CB 3.96Å; Y821-R829 HydrophobicContact CG-CB 4.17Å; Y821-C833 VanDerWaalsContact CD2-SG 3.6Å; Y821-C833 WeakPolarHBondContact CE2-SG 3.28Å
822L87.9Confident88.2Confident95 Ų9574 Ų7450%0.49734%0.343SS..Hα-helixtrans-60.7-45.8170.6-76.4169.5000111.4V818 Y820 R825 L830V818-L822 HydrophobicContact CG1-CD1 3.99Å; V818-L822 WeakPolarHBondContact O-CG 3.06Å; V818-L822 PolarHBondContact O-N 3.07Å; Y820-L822 VanDerWaalsContact C-N 3.33Å; Y820-L822 PolarHBondContact O-N 2.82Å; L822-R825 PolarHBondContact O-N 2.67Å; L822-L830 HydrophobicContact CD2-CD1 4.42Å; L822-L830 HydrophobicContact CD2-CD2 3.58Å; L822-L830 HydrophobicContact CG-CD1 4.17Å; L822-L830 HydrophobicContact CG-CD2 4.18Å
823K86.2Confident88.4Confident137 Ų13766.9 Ų66.960%0.59631%0.31SS*.Hα-helixtrans-67-37.3175.8-72.4176.7-179.3-1740112.7N801 P819 Y820 R825N801-K823 HydrophobicContact CB-CB 4.25Å; P819-K823 WeakPolarHBondContact O-CG 3.41Å; P819-K823 PolarHBondContact O-N 3.02Å; Y820-K823 PolarHBondContact O-N 3.31Å; K823-R825 VanDerWaalsContact C-N 3.27Å; K823-R825 PolarHBondContact O-N 3.36Å
824G83.7Confident88.6Confident5 Ų563.3 Ų63.35%0.05229%0.294CS..THydrogen-bonded Turntrans-80.5-1.1178.900000115N802 Y820 Y821 N826N802-G824 PolarHBondContact ND2-O 2.86Å; N802-G824 WeakPolarHBondContact OD1-CA 3.44Å; N802-G824 PolarHBondContact OD1-O 3.49Å; Y820-G824 PolarHBondContact O-N 2.88Å; Y821-G824 CarbonylContact O-C 3.52Å; Y821-G824 PolarHBondContact O-N 2.97Å; G824-N826 PolarHBondContact O-N 2.81Å
825R85.6Confident88.7Confident217 Ų21763.3 Ų63.382%0.81929%0.294SS*.THydrogen-bonded Turntrans54.530.5-180-56.7-177.7-178172.62.8114Y821 L822 K823 Q827Y821-R825 PolarHBondContact O-N 3.2Å; L822-R825 PolarHBondContact O-N 2.67Å; K823-R825 VanDerWaalsContact C-N 3.27Å; K823-R825 PolarHBondContact O-N 3.36Å; R825-Q827 PolarHBondContact O-N 3.17Å
826N87.7Confident88.6Confident39 Ų3963.8 Ų63.821%0.20929%0.287CS..  trans-95.396178.4-171.2-16.8000110.8N802 Y821 G824 E828 R829 L830N802-N826 WeakPolarHBondContact OD1-CB 3.37Å; Y821-N826 HydrophobicContact CD1-CB 4.23Å; Y821-N826 PolarHBondContact O-N 3.43Å; G824-N826 PolarHBondContact O-N 2.81Å; N826-E828 PolarHBondContact OD1-N 3.37Å; N826-R829 WeakPolarHBondContact ND2-CG 3.49Å; N826-R829 PolarHBondContact OD1-N 3Å; N826-L830 VanDerWaalsContact O-CB 3.28Å; N826-L830 WeakPolarHBondContact O-CB 3.26Å; N826-L830 PolarHBondContact O-N 3.17Å
827Q87.9Confident88.6Confident81 Ų8160.9 Ų60.938%0.37928%0.277SS..Hα-helixtrans-74-29-175.5-65.7176.2-29.100113.2R825 L830 A831 L846 L850 L856R825-Q827 PolarHBondContact O-N 3.17Å; Q827-L830 PolarHBondContact O-N 2.86Å; Q827-A831 PolarHBondContact O-N 3.48Å; Q827-A831 VanDerWaalsContact O-N 3.08Å; Q827-L846 HydrophobicContact CB-CD1 4.46Å; Q827-L846 HydrophobicContact CG-CD1 4.38Å; Q827-L850 VanDerWaalsContact OE1-CD2 3.24Å; Q827-L856 HydrophobicContact CB-CD1 3.79Å
828E89.2Confident88.6Confident118 Ų11867.6 Ų67.655%0.55131%0.308SS*.Hα-helixtrans-67.3-54.2-178.7-43.7-167.7148.900110.3N826 L830 A831 D832 L856N826-E828 PolarHBondContact OD1-N 3.37Å; E828-L830 PolarHBondContact O-N 2.8Å; E828-A831 WeakPolarHBondContact O-CB 3.24Å; E828-A831 PolarHBondContact O-N 2.95Å; E828-A831 VanDerWaalsContact O-N 3.17Å; E828-D832 PolarHBondContact O-N 3.49Å; E828-L856 HydrophobicContact CB-CD2 3.91Å; E828-L856 HydrophobicContact CG-CD1 3.99Å; E828-L856 HydrophobicContact CG-CD2 3.78Å; E828-L856 HydrophobicContact CG-CG 4.19Å
829R88.3Confident88.6Confident95 Ų9569.6 Ų69.636%0.35832%0.319SS..Hα-helixtrans-65.2-28.5177.8-69.5-63.5-164.9140.411.4113D806 Y821 N826 C833D806-R829 IonicContact OD1-CZ 3.98Å; D806-R829 IonicContact OD1-NE 2.78Å; D806-R829 IonicContact OD1-NH2 3.6Å; Y821-R829 HydrophobicContact CD1-CB 3.9Å; Y821-R829 HydrophobicContact CD2-CB 4.22Å; Y821-R829 HydrophobicContact CE1-CB 3.63Å; Y821-R829 HydrophobicContact CE1-CG 4.01Å; Y821-R829 HydrophobicContact CE2-CB 3.96Å; Y821-R829 HydrophobicContact CG-CB 4.17Å; N826-R829 WeakPolarHBondContact ND2-CG 3.49Å; N826-R829 PolarHBondContact OD1-N 3Å; R829-C833 PolarHBondContact O-N 3.09Å; R829-C833 PolarHBondContact O-SG 3.45Å
830L90.1Very high88.5Confident8 Ų869.1 Ų69.14%0.04231%0.309CS..Hα-helixtrans-68.2-41.4175.4-17665.9000111.5V818 L822 N826 Q827 E828 D832 C833 Y834 L846V818-L830 HydrophobicContact CB-CD1 4.43Å; V818-L830 HydrophobicContact CG1-CD1 3.96Å; V818-L830 HydrophobicContact CG2-CD1 4.43Å; L822-L830 HydrophobicContact CD2-CD1 4.42Å; L822-L830 HydrophobicContact CD2-CD2 3.58Å; L822-L830 HydrophobicContact CG-CD1 4.17Å; L822-L830 HydrophobicContact CG-CD2 4.18Å; N826-L830 VanDerWaalsContact O-CB 3.28Å; N826-L830 WeakPolarHBondContact O-CB 3.26Å; N826-L830 PolarHBondContact O-N 3.17Å; Q827-L830 PolarHBondContact O-N 2.86Å; E828-L830 PolarHBondContact O-N 2.8Å; L830-D832 VanDerWaalsContact C-N 3.34Å; L830-D832 PolarHBondContact O-N 3.03Å; L830-C833 WeakPolarHBondContact O-CB 3.44Å; L830-C833 PolarHBondContact O-N 2.83Å; L830-Y834 HydrophobicContact CD1-CD2 4.34Å; L830-Y834 HydrophobicContact CD1-CE2 3.74Å; L830-Y834 HydrophobicContact CD2-CE2 3.9Å; L830-Y834 HydrophobicContact CG-CD2 3.99Å; L830-Y834 HydrophobicContact CG-CE2 3.5Å; L830-Y834 WeakPolarHBondContact O-CD2 3.17Å; L830-Y834 PolarHBondContact O-N 3.18Å; L830-L846 HydrophobicContact CD2-CD1 4.25Å
831A88.7Confident88.4Confident1 Ų171.5 Ų71.51%0.00833%0.327CS..Hα-helixtrans-59.5-45.2173.900000111.3Q827 E828 C833 Y834 Y835 L843 L846 I860 M863Q827-A831 PolarHBondContact O-N 3.48Å; Q827-A831 VanDerWaalsContact O-N 3.08Å; E828-A831 WeakPolarHBondContact O-CB 3.24Å; E828-A831 PolarHBondContact O-N 2.95Å; E828-A831 VanDerWaalsContact O-N 3.17Å; A831-C833 VanDerWaalsContact C-N 3.33Å; A831-C833 PolarHBondContact O-N 2.81Å; A831-Y834 PolarHBondContact O-N 2.78Å; A831-Y835 WeakPolarHBondContact O-CB 3.35Å; A831-Y835 PolarHBondContact O-N 3.04Å; A831-L843 HydrophobicContact CB-CD1 3.81Å; A831-L846 HydrophobicContact CB-CD2 3.78Å; A831-I860 HydrophobicContact CB-CG1 4.3Å; A831-M863 HydrophobicContact CB-CE 4.49Å; A831-M863 HydrophobicContact CB-SD 4.49Å
832D88.2Confident88.2Confident65 Ų6571.8 Ų71.835%0.34833%0.33SS..Hα-helixtrans-58.2-43.9173.7-78.2-22.6000112.1E828 L830 Y835 K836 M863E828-D832 PolarHBondContact O-N 3.49Å; L830-D832 VanDerWaalsContact C-N 3.34Å; L830-D832 PolarHBondContact O-N 3.03Å; D832-Y835 PolarHBondContact O-N 3.37Å; D832-K836 WeakPolarHBondContact O-CB 3.24Å; D832-K836 VanDerWaalsContact O-CG 3.29Å; D832-K836 WeakPolarHBondContact O-CG 3.24Å; D832-K836 PolarHBondContact O-N 3Å; D832-M863 WeakPolarHBondContact OD1-CE 3.48Å
833C89.9Confident88.3Confident1 Ų167.2 Ų67.21%0.00731%0.306CS..Hα-helixtrans-61.7-46.5178.2-72.20000111.8V818 Y821 R829 L830 A831 Y835 K836 L837V818-C833 HydrophobicContact CG2-CB 3.82Å; Y821-C833 VanDerWaalsContact CD2-SG 3.6Å; Y821-C833 WeakPolarHBondContact CE2-SG 3.28Å; R829-C833 PolarHBondContact O-N 3.09Å; R829-C833 PolarHBondContact O-SG 3.45Å; L830-C833 WeakPolarHBondContact O-CB 3.44Å; L830-C833 PolarHBondContact O-N 2.83Å; A831-C833 VanDerWaalsContact C-N 3.33Å; A831-C833 PolarHBondContact O-N 2.81Å; C833-Y835 VanDerWaalsContact C-N 3.33Å; C833-Y835 PolarHBondContact O-N 2.92Å; C833-K836 PolarHBondContact O-N 3.06Å; C833-L837 VanDerWaalsContact O-CB 3.31Å; C833-L837 WeakPolarHBondContact O-CB 3.46Å; C833-L837 VanDerWaalsContact O-CG 3.27Å; C833-L837 WeakPolarHBondContact O-CG 3.23Å; C833-L837 PolarHBondContact O-N 2.79Å
834Y90.4Very high88.5Confident34 Ų3464 Ų6413%0.13329%0.293CS..Hα-helixtrans-62.9-41.1177.3-71.7-44.4000111.9V818 L830 A831 L837 E838 D839 L846V818-Y834 HydrophobicContact CG1-CE1 4.09Å; V818-Y834 HydrophobicContact CG2-CE1 4.39Å; L830-Y834 HydrophobicContact CD1-CD2 4.34Å; L830-Y834 HydrophobicContact CD1-CE2 3.74Å; L830-Y834 HydrophobicContact CD2-CE2 3.9Å; L830-Y834 HydrophobicContact CG-CD2 3.99Å; L830-Y834 HydrophobicContact CG-CE2 3.5Å; L830-Y834 WeakPolarHBondContact O-CD2 3.17Å; L830-Y834 PolarHBondContact O-N 3.18Å; A831-Y834 PolarHBondContact O-N 2.78Å; Y834-L837 PolarHBondContact O-N 2.82Å; Y834-E838 PolarHBondContact O-N 2.87Å; Y834-E838 VanDerWaalsContact O-N 3.07Å; Y834-D839 HydrophobicContact CD1-CB 4Å; Y834-D839 PolarHBondContact O-N 3.27Å; Y834-L846 HydrophobicContact CD2-CD2 4.46Å
835Y90.3Very high88.7Confident60 Ų6070.1 Ų70.124%0.23532%0.32CS..Hα-helixtrans-61.7-45175.2-176.6-108.8000112.4A831 D832 C833 L837 E838 Y840 M863 T866 V867A831-Y835 WeakPolarHBondContact O-CB 3.35Å; A831-Y835 PolarHBondContact O-N 3.04Å; D832-Y835 PolarHBondContact O-N 3.37Å; C833-Y835 VanDerWaalsContact C-N 3.33Å; C833-Y835 PolarHBondContact O-N 2.92Å; Y835-L837 VanDerWaalsContact C-N 3.33Å; Y835-L837 PolarHBondContact O-N 3.45Å; Y835-E838 PolarHBondContact O-N 3.07Å; Y835-Y840 HydrophobicContact CD2-CE1 4.47Å; Y835-M863 HydrophobicContact CD2-CB 3.71Å; Y835-M863 HydrophobicContact CD2-CG 3.99Å; Y835-M863 HydrophobicContact CD2-SD 4.41Å; Y835-M863 HydrophobicContact CE2-CB 3.86Å; Y835-M863 HydrophobicContact CE2-CG 4.26Å; Y835-M863 WeakPolarHBondContact CE2-O 3.01Å; Y835-M863 HydrophobicContact CG-CB 4.41Å; Y835-M863 HydrophobicContact CG-CG 4.22Å; Y835-M863 HydrophobicContact CG-SD 4.25Å; Y835-T866 PolarHBondContact OH-OG1 3.42Å; Y835-V867 HydrophobicContact CD2-CG2 4.44Å; Y835-V867 HydrophobicContact CE2-CG2 3.59Å
836K88.4Confident88.9Confident118 Ų11860.4 Ų60.451%0.51329%0.285SS..Hα-helixtrans-71.1-25.8177.9-65.9-58.6-179.7-170.70113.9W814 D832 C833 E838W814-K836 HydrophobicContact CD2-CB 3.87Å; W814-K836 HydrophobicContact CD2-CG 4.28Å; W814-K836 HydrophobicContact CE3-CB 4.37Å; W814-K836 HydrophobicContact CE3-CG 4.47Å; W814-K836 HydrophobicContact CG-CB 4.04Å; W814-K836 HydrophobicContact CH2-CG 4.27Å; W814-K836 HydrophobicContact CZ2-CB 4.41Å; W814-K836 HydrophobicContact CZ2-CG 4.06Å; W814-K836 HydrophobicContact CZ3-CG 4.45Å; D832-K836 WeakPolarHBondContact O-CB 3.24Å; D832-K836 VanDerWaalsContact O-CG 3.29Å; D832-K836 WeakPolarHBondContact O-CG 3.24Å; D832-K836 PolarHBondContact O-N 3Å; C833-K836 PolarHBondContact O-N 3.06Å; K836-E838 VanDerWaalsContact C-N 3.3Å
837L88.9Confident88.9Confident60 Ų6059 Ų5931%0.31428%0.279SS..THydrogen-bonded Turntrans-83.9-6.2173.8-74.6173.1000113.4W814 V815 V818 C833 Y834 Y835 D839W814-L837 HydrophobicContact CB-CD1 4.01Å; W814-L837 HydrophobicContact CB-CD2 3.64Å; W814-L837 HydrophobicContact CB-CG 3.58Å; V815-L837 HydrophobicContact CB-CD2 4.49Å; V815-L837 HydrophobicContact CG2-CD1 4.42Å; V815-L837 HydrophobicContact CG2-CD2 3.47Å; V815-L837 VanDerWaalsContact CG2-CD2 3.47Å; V818-L837 HydrophobicContact CG2-CD1 3.78Å; C833-L837 VanDerWaalsContact O-CB 3.31Å; C833-L837 WeakPolarHBondContact O-CB 3.46Å; C833-L837 VanDerWaalsContact O-CG 3.27Å; C833-L837 WeakPolarHBondContact O-CG 3.23Å; C833-L837 PolarHBondContact O-N 2.79Å; Y834-L837 PolarHBondContact O-N 2.82Å; Y835-L837 VanDerWaalsContact C-N 3.33Å; Y835-L837 PolarHBondContact O-N 3.45Å; L837-D839 HydrophobicContact CB-CB 4.37Å; L837-D839 PolarHBondContact O-N 2.83Å
838E88.4Confident88.9Confident141 Ų14158.3 Ų58.366%0.65929%0.286SS*.THydrogen-bonded Turntrans58.424.4-171.1-52.7-179175.500112.8Y834 Y835 K836 Y840Y834-E838 PolarHBondContact O-N 2.87Å; Y834-E838 VanDerWaalsContact O-N 3.07Å; Y835-E838 PolarHBondContact O-N 3.07Å; K836-E838 VanDerWaalsContact C-N 3.3Å; E838-Y840 VanDerWaalsContact C-N 3.3Å; E838-Y840 HydrophobicContact CB-CE2 3.83Å; E838-Y840 VanDerWaalsContact O-CD2 3.23Å; E838-Y840 WeakPolarHBondContact O-CD2 3.21Å; E838-Y840 WeakPolarHBondContact O-CE2 3.31Å; E838-Y840 PolarHBondContact O-N 3.27Å; E838-Y840 VanDerWaalsContact O-N 3.09Å
839D89.4Confident88.8Confident62 Ų6259 Ų5933%0.33229%0.294SS..  trans-86.373.3174.9-174.44.7000110.2Y834 L837 N841 G842 L843Y834-D839 HydrophobicContact CD1-CB 4Å; Y834-D839 PolarHBondContact O-N 3.27Å; L837-D839 HydrophobicContact CB-CB 4.37Å; L837-D839 PolarHBondContact O-N 2.83Å; D839-N841 PolarHBondContact O-N 3.42Å; D839-G842 PolarHBondContact O-N 2.93Å; D839-G842 PolarHBondContact OD1-N 2.84Å; D839-L843 PolarHBondContact O-N 3.04Å
840Y89.3Confident88.7Confident48 Ų4854.7 Ų54.719%0.18828%0.278CS..Hα-helixtrans-67.1-23.4-178.9-54.8-61.8000113.1Y835 E838 L843 E844 V867 M869Y835-Y840 HydrophobicContact CD2-CE1 4.47Å; E838-Y840 VanDerWaalsContact C-N 3.3Å; E838-Y840 HydrophobicContact CB-CE2 3.83Å; E838-Y840 VanDerWaalsContact O-CD2 3.23Å; E838-Y840 WeakPolarHBondContact O-CD2 3.21Å; E838-Y840 WeakPolarHBondContact O-CE2 3.31Å; E838-Y840 PolarHBondContact O-N 3.27Å; E838-Y840 VanDerWaalsContact O-N 3.09Å; Y840-L843 PolarHBondContact O-N 2.92Å; Y840-E844 PolarHBondContact O-N 3.47Å; Y840-V867 HydrophobicContact CE1-CB 4.32Å; Y840-V867 HydrophobicContact CE1-CG1 3.89Å; Y840-V867 HydrophobicContact CE1-CG2 3.76Å; Y840-V867 HydrophobicContact CE2-CG1 4.15Å; Y840-M869 HydrophobicContact CD1-SD 4.45Å; Y840-M869 HydrophobicContact CD2-CE 3.64Å; Y840-M869 HydrophobicContact CD2-SD 4.47Å; Y840-M869 HydrophobicContact CE2-CE 4.39Å; Y840-M869 HydrophobicContact CG-CE 3.76Å; Y840-M869 HydrophobicContact CG-SD 4.02Å
841N88.1Confident88.6Confident115 Ų11558.2 Ų58.262%0.61530%0.302SS*.Hα-helixtrans-70.7-44175.8-66.1-37.7000110.8D839 L843 E844 Q845D839-N841 PolarHBondContact O-N 3.42Å; N841-L843 VanDerWaalsContact C-N 3.29Å; N841-L843 PolarHBondContact O-N 2.8Å; N841-E844 PolarHBondContact O-N 2.88Å; N841-Q845 WeakPolarHBondContact O-CG 3.5Å; N841-Q845 PolarHBondContact O-N 3.22Å
842G86.3Confident88.4Confident7 Ų766.2 Ų66.27%0.07234%0.339CS..Hα-helixtrans-60.8-38.8172.400000112.3D839 Q845 L846D839-G842 PolarHBondContact O-N 2.93Å; D839-G842 PolarHBondContact OD1-N 2.84Å; G842-Q845 PolarHBondContact O-N 3.24Å; G842-L846 WeakPolarHBondContact O-CB 3.46Å; G842-L846 PolarHBondContact O-N 3.4Å
843L90Very high88.2Confident0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-67.5-38176.1-167.465.1000112.9A831 D839 Y840 N841 L846 A847 I860 M863 F864A831-L843 HydrophobicContact CB-CD1 3.81Å; D839-L843 PolarHBondContact O-N 3.04Å; Y840-L843 PolarHBondContact O-N 2.92Å; N841-L843 VanDerWaalsContact C-N 3.29Å; N841-L843 PolarHBondContact O-N 2.8Å; L843-L846 HydrophobicContact CD1-CD2 4.48Å; L843-L846 PolarHBondContact O-N 3.39Å; L843-A847 WeakPolarHBondContact O-CB 3.21Å; L843-A847 PolarHBondContact O-N 3.33Å; L843-I860 HydrophobicContact CD1-CG1 4.17Å; L843-I860 HydrophobicContact CD1-CG2 4.11Å; L843-I860 HydrophobicContact CD2-CG2 4.2Å; L843-I860 HydrophobicContact CG-CG2 3.88Å; L843-M863 HydrophobicContact CD1-SD 4.48Å; L843-M863 HydrophobicContact CD2-CB 4.26Å; L843-M863 HydrophobicContact CD2-SD 4.36Å; L843-F864 HydrophobicContact CB-CE1 4.44Å; L843-F864 HydrophobicContact CB-CZ 3.98Å; L843-F864 HydrophobicContact CD2-CD1 4.44Å; L843-F864 HydrophobicContact CD2-CE1 3.94Å; L843-F864 HydrophobicContact CD2-CE2 4.2Å; L843-F864 HydrophobicContact CD2-CZ 3.81Å; L843-F864 HydrophobicContact CG-CE1 4.37Å; L843-F864 HydrophobicContact CG-CE2 4.18Å; L843-F864 HydrophobicContact CG-CZ 3.8Å
844E89.7Confident88.1Confident68 Ų6871.1 Ų71.132%0.31836%0.363SS..Hα-helixtrans-67-41.2175.6-175.2173.1-159.900111.3Y840 N841 A847 A848 F864 K875Y840-E844 PolarHBondContact O-N 3.47Å; N841-E844 PolarHBondContact O-N 2.88Å; E844-A847 PolarHBondContact O-N 3.05Å; E844-A848 WeakPolarHBondContact O-CB 3.39Å; E844-A848 PolarHBondContact O-N 3.47Å; E844-F864 HydrophobicContact CB-CZ 4.23Å; E844-K875 IonicContact OE1-NZ 2.84Å
845Q89Confident87.9Confident134 Ų13478.2 Ų78.263%0.62640%0.395SS*.Hα-helixtrans-61.4-45.1173.6-71.51783.500111.4N841 G842 A847 A848 D849N841-Q845 WeakPolarHBondContact O-CG 3.5Å; N841-Q845 PolarHBondContact O-N 3.22Å; G842-Q845 PolarHBondContact O-N 3.24Å; Q845-A847 VanDerWaalsContact C-N 3.34Å; Q845-A847 PolarHBondContact O-N 3.46Å; Q845-A848 WeakPolarHBondContact O-CB 3.1Å; Q845-A848 PolarHBondContact O-N 3.32Å; Q845-A848 VanDerWaalsContact O-N 3.11Å; Q845-D849 PolarHBondContact O-N 3.3Å
846L88.5Confident87.8Confident13 Ų1375.5 Ų75.57%0.06838%0.384CS..Hα-helixtrans-58.9-44.8175.3-176.265.1000111.4Q827 L830 A831 Y834 G842 L843 A848 D849 L850Q827-L846 HydrophobicContact CB-CD1 4.46Å; Q827-L846 HydrophobicContact CG-CD1 4.38Å; L830-L846 HydrophobicContact CD2-CD1 4.25Å; A831-L846 HydrophobicContact CB-CD2 3.78Å; Y834-L846 HydrophobicContact CD2-CD2 4.46Å; G842-L846 WeakPolarHBondContact O-CB 3.46Å; G842-L846 PolarHBondContact O-N 3.4Å; L843-L846 HydrophobicContact CD1-CD2 4.48Å; L843-L846 PolarHBondContact O-N 3.39Å; L846-A848 VanDerWaalsContact C-N 3.29Å; L846-A848 PolarHBondContact O-N 3.01Å; L846-D849 PolarHBondContact O-N 3.05Å; L846-L850 VanDerWaalsContact O-CG 3.29Å; L846-L850 WeakPolarHBondContact O-CG 3.38Å; L846-L850 PolarHBondContact O-N 3.49Å; L846-L850 VanDerWaalsContact O-N 3.16Å
847A87.8Confident87.8Confident11 Ų1169.9 Ų69.99%0.09136%0.36CS..Hα-helixtrans-63.9-33.1176.300000113.1L843 E844 Q845 L857 I860 K879L843-A847 WeakPolarHBondContact O-CB 3.21Å; L843-A847 PolarHBondContact O-N 3.33Å; E844-A847 PolarHBondContact O-N 3.05Å; Q845-A847 VanDerWaalsContact C-N 3.34Å; Q845-A847 PolarHBondContact O-N 3.46Å; A847-L857 HydrophobicContact CB-CD2 4.26Å; A847-I860 HydrophobicContact CB-CD1 4.43Å; A847-I860 HydrophobicContact CB-CG2 4.1Å; A847-K879 PolarHBondContact O-NZ 2.88Å
848A87.2Confident87.8Confident65 Ų6568.6 Ų68.654%0.53736%0.355SS..Hα-helixtrans-69.3-41.1175.900000112E844 Q845 L846 L850 K879E844-A848 WeakPolarHBondContact O-CB 3.39Å; E844-A848 PolarHBondContact O-N 3.47Å; Q845-A848 WeakPolarHBondContact O-CB 3.1Å; Q845-A848 PolarHBondContact O-N 3.32Å; Q845-A848 VanDerWaalsContact O-N 3.11Å; L846-A848 VanDerWaalsContact C-N 3.29Å; L846-A848 PolarHBondContact O-N 3.01Å; A848-L850 VanDerWaalsContact C-N 3.35Å; A848-L850 PolarHBondContact O-N 3.4Å; A848-K879 PolarHBondContact O-NZ 2.81Å
849D87.6Confident87.8Confident133 Ų13366.7 Ų66.771%0.71135%0.346SS*.Hα-helixtrans-72.6-24.8-179.2-71.3-13.9000113.4Q845 L846Q845-D849 PolarHBondContact O-N 3.3Å; L846-D849 PolarHBondContact O-N 3.05Å
850L87.6Confident87.8Confident4 Ų463.8 Ų63.82%0.02133%0.33CS..SBendtrans-66.6142.8178-72.8171.8000112.2Q827 L846 A848 H854 L856 L857 I860 K879Q827-L850 VanDerWaalsContact OE1-CD2 3.24Å; L846-L850 VanDerWaalsContact O-CG 3.29Å; L846-L850 WeakPolarHBondContact O-CG 3.38Å; L846-L850 PolarHBondContact O-N 3.49Å; L846-L850 VanDerWaalsContact O-N 3.16Å; A848-L850 VanDerWaalsContact C-N 3.35Å; A848-L850 PolarHBondContact O-N 3.4Å; L850-H854 HydrophobicContact CB-CB 4.19Å; L850-L856 HydrophobicContact CD1-CB 3.93Å; L850-L856 HydrophobicContact CD1-CD1 4.44Å; L850-L857 HydrophobicContact CB-CD2 4.28Å; L850-L857 HydrophobicContact CB-CG 4.43Å; L850-L857 HydrophobicContact CD1-CD2 4.21Å; L850-L857 HydrophobicContact CD1-CG 4.38Å; L850-I860 HydrophobicContact CD1-CD1 3.67Å; L850-K879 WeakPolarHBondContact O-CE 3.42Å; L850-K879 PolarHBondContact O-NZ 2.85Å
851P87.2Confident87.8Confident83 Ų8361.5 Ų61.554%0.53932%0.321SS..PPolyproline II helixtrans-60.4158.7173.9-22.333.6000113.1N853 H854 L857P851-N853 PolarHBondContact O-N 3.02Å; P851-H854 WeakPolarHBondContact O-CB 3.39Å; P851-H854 PolarHBondContact O-N 2.94Å; P851-L857 WeakPolarHBondContact O-CD1 3.41Å
852E84.3Confident87.9Confident169 Ų16961.7 Ų61.779%0.7932%0.319SS*.THydrogen-bonded Turntrans-57.6138171.3-66.4-173.9171.600110.9H854 K879E852-H854 VanDerWaalsContact C-N 3.27Å; E852-H854 PolarHBondContact O-N 3.45Å; E852-K879 HydrophobicContact CG-CG 4.45Å
853N84.6Confident88.1Confident114 Ų11462.5 Ų62.561%0.6132%0.321SS*.THydrogen-bonded Turntrans59.926.9-178.1-156.226.1000115.7P851 K879 S880P851-N853 PolarHBondContact O-N 3.02Å; N853-K879 PolarHBondContact N-O 2.95Å; N853-K879 VanDerWaalsContact N-O 3.07Å; N853-S880 PolarHBondContact OD1-O 2.84Å
854H87.1Confident88.1Confident55 Ų5562.7 Ų62.726%0.25532%0.322SS..  trans-65.1142.9170.8-166.8-89000111.9L850 P851 E852 L856 L857L850-H854 HydrophobicContact CB-CB 4.19Å; P851-H854 WeakPolarHBondContact O-CB 3.39Å; P851-H854 PolarHBondContact O-N 2.94Å; E852-H854 VanDerWaalsContact C-N 3.27Å; E852-H854 PolarHBondContact O-N 3.45Å; H854-L856 WeakPolarHBondContact ND1-CB 3.38Å; H854-L856 PolarHBondContact ND1-N 2.99Å; H854-L856 PolarHBondContact O-N 2.82Å; H854-L856 VanDerWaalsContact O-N 3.15Å; H854-L857 HydrophobicContact CB-CD1 4.13Å; H854-L857 HydrophobicContact CB-CG 4.22Å; H854-L857 WeakPolarHBondContact O-CB 3.31Å; H854-L857 PolarHBondContact O-N 3.15Å
855K86.8Confident88.1Confident182 Ų18260 Ų6079%0.79131%0.312SS*.THydrogen-bonded Turntrans-58.2-30.3-176.1-68.1-176.9179.2179.40114.5P858K855-P858 WeakPolarHBondContact O-CD 3.48Å
856L88.4Confident88Confident4 Ų457.9 Ų57.92%0.02131%0.308CS..Hα-helixtrans-76-19.9178.5-74.3169000114.4Q827 E828 L850 H854 E859 I860Q827-L856 HydrophobicContact CB-CD1 3.79Å; E828-L856 HydrophobicContact CB-CD2 3.91Å; E828-L856 HydrophobicContact CG-CD1 3.99Å; E828-L856 HydrophobicContact CG-CD2 3.78Å; E828-L856 HydrophobicContact CG-CG 4.19Å; L850-L856 HydrophobicContact CD1-CB 3.93Å; L850-L856 HydrophobicContact CD1-CD1 4.44Å; H854-L856 WeakPolarHBondContact ND1-CB 3.38Å; H854-L856 PolarHBondContact ND1-N 2.99Å; H854-L856 PolarHBondContact O-N 2.82Å; H854-L856 VanDerWaalsContact O-N 3.15Å; L856-E859 WeakPolarHBondContact CD2-OE2 3.48Å; L856-E859 PolarHBondContact O-N 3.44Å; L856-I860 HydrophobicContact CB-CD1 4.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.25Å; L856-I860 PolarHBondContact O-N 2.6Å
857L88.6Confident88Confident0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-63.6-41.7-174.6-74.5169.5000113.4A847 L850 P851 H854 E859 G861 K879A847-L857 HydrophobicContact CB-CD2 4.26Å; L850-L857 HydrophobicContact CB-CD2 4.28Å; L850-L857 HydrophobicContact CB-CG 4.43Å; L850-L857 HydrophobicContact CD1-CD2 4.21Å; L850-L857 HydrophobicContact CD1-CG 4.38Å; P851-L857 WeakPolarHBondContact O-CD1 3.41Å; H854-L857 HydrophobicContact CB-CD1 4.13Å; H854-L857 HydrophobicContact CB-CG 4.22Å; H854-L857 WeakPolarHBondContact O-CB 3.31Å; H854-L857 PolarHBondContact O-N 3.15Å; L857-E859 VanDerWaalsContact C-N 3.34Å; L857-G861 PolarHBondContact O-N 2.88Å; L857-K879 HydrophobicContact CD1-CB 4.16Å; L857-K879 HydrophobicContact CD1-CD 4.04Å; L857-K879 HydrophobicContact CD1-CG 3.85Å; L857-K879 HydrophobicContact CD2-CD 4.22Å
858P88.9Confident87.8Confident33 Ų3361.2 Ų61.221%0.21434%0.335CS..Hα-helixtrans-60.5-39.8171.8-25.234.8000113.6K855 G861 E862 Y877K855-P858 WeakPolarHBondContact O-CD 3.48Å; P858-G861 PolarHBondContact O-N 2.81Å; P858-E862 PolarHBondContact O-N 3.1Å; P858-Y877 HydrophobicContact CB-CE1 4.5Å; P858-Y877 WeakPolarHBondContact O-CE1 3.48Å
859E88.1Confident87.9Confident101 Ų10160.8 Ų60.847%0.47232%0.323SS..Hα-helixtrans-67.8-44.2179.4-64.7179.5-175.600111.3L856 L857 G861 E862 M863L856-E859 WeakPolarHBondContact CD2-OE2 3.48Å; L856-E859 PolarHBondContact O-N 3.44Å; L857-E859 VanDerWaalsContact C-N 3.34Å; E859-G861 VanDerWaalsContact C-N 3.29Å; E859-G861 PolarHBondContact O-N 2.87Å; E859-E862 WeakPolarHBondContact O-CB 3.19Å; E859-E862 PolarHBondContact O-N 3.38Å; E859-E862 VanDerWaalsContact O-N 3.15Å; E859-M863 WeakPolarHBondContact O-CG 3.17Å; E859-M863 PolarHBondContact O-N 3.12Å
860I89.1Confident87.8Confident0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-63.3-37.9173.2-64.7167.9000110.6A831 L843 A847 L850 L856 E862 M863 F864A831-I860 HydrophobicContact CB-CG1 4.3Å; L843-I860 HydrophobicContact CD1-CG1 4.17Å; L843-I860 HydrophobicContact CD1-CG2 4.11Å; L843-I860 HydrophobicContact CD2-CG2 4.2Å; L843-I860 HydrophobicContact CG-CG2 3.88Å; A847-I860 HydrophobicContact CB-CD1 4.43Å; A847-I860 HydrophobicContact CB-CG2 4.1Å; L850-I860 HydrophobicContact CD1-CD1 3.67Å; L856-I860 HydrophobicContact CB-CD1 4.26Å; L856-I860 WeakPolarHBondContact O-CG1 3.25Å; L856-I860 PolarHBondContact O-N 2.6Å; I860-E862 VanDerWaalsContact C-N 3.3Å; I860-E862 PolarHBondContact O-N 2.86Å; I860-M863 WeakPolarHBondContact O-CB 3.12Å; I860-M863 PolarHBondContact O-N 3.21Å; I860-F864 HydrophobicContact CG2-CD2 3.72Å; I860-F864 HydrophobicContact CG2-CE2 3.41Å; I860-F864 VanDerWaalsContact CG2-CE2 3.41Å; I860-F864 HydrophobicContact CG2-CZ 4.37Å; I860-F864 VanDerWaalsContact O-CD2 3.24Å; I860-F864 WeakPolarHBondContact O-CD2 3.38Å; I860-F864 PolarHBondContact O-N 2.79Å
861G89.1Confident87.9Confident0 Ų059.8 Ų59.80%032%0.315CS..Hα-helixtrans-59-41.1173.100000112.4L857 P858 E859 F864 A865 A873L857-G861 PolarHBondContact O-N 2.88Å; P858-G861 PolarHBondContact O-N 2.81Å; E859-G861 VanDerWaalsContact C-N 3.29Å; E859-G861 PolarHBondContact O-N 2.87Å; G861-F864 PolarHBondContact O-N 3.17Å; G861-A865 WeakPolarHBondContact O-CB 3.48Å; G861-A865 PolarHBondContact O-N 3.32Å; G861-A873 WeakPolarHBondContact O-CB 3.27Å
862E89.6Confident88Confident119 Ų11958 Ų5856%0.55630%0.299SS*.Hα-helixtrans-68.3-41.7175.9-171.4174-17600111.5P858 E859 I860 F864 A865 T866 Y877P858-E862 PolarHBondContact O-N 3.1Å; E859-E862 WeakPolarHBondContact O-CB 3.19Å; E859-E862 PolarHBondContact O-N 3.38Å; E859-E862 VanDerWaalsContact O-N 3.15Å; I860-E862 VanDerWaalsContact C-N 3.3Å; I860-E862 PolarHBondContact O-N 2.86Å; E862-F864 VanDerWaalsContact C-N 3.31Å; E862-F864 PolarHBondContact O-N 3.32Å; E862-A865 WeakPolarHBondContact O-CB 3.23Å; E862-A865 PolarHBondContact O-N 3.13Å; E862-T866 WeakPolarHBondContact O-CG2 3.47Å; E862-T866 PolarHBondContact O-N 3.31Å; E862-T866 PolarHBondContact O-OG1 3.23Å; E862-Y877 WeakPolarHBondContact CA-OH 3.39Å; E862-Y877 PolarHBondContact N-OH 2.92Å
863M90.2Very high88.3Confident25 Ų2550 Ų5012%0.12326%0.262CS..Hα-helixtrans-58.5-40.4173.6-69.3174.1-172.800112.4A831 D832 Y835 L843 E859 I860 T866 V867A831-M863 HydrophobicContact CB-CE 4.49Å; A831-M863 HydrophobicContact CB-SD 4.49Å; D832-M863 WeakPolarHBondContact OD1-CE 3.48Å; Y835-M863 HydrophobicContact CD2-CB 3.71Å; Y835-M863 HydrophobicContact CD2-CG 3.99Å; Y835-M863 HydrophobicContact CD2-SD 4.41Å; Y835-M863 HydrophobicContact CE2-CB 3.86Å; Y835-M863 HydrophobicContact CE2-CG 4.26Å; Y835-M863 WeakPolarHBondContact CE2-O 3.01Å; Y835-M863 HydrophobicContact CG-CB 4.41Å; Y835-M863 HydrophobicContact CG-CG 4.22Å; Y835-M863 HydrophobicContact CG-SD 4.25Å; L843-M863 HydrophobicContact CD1-SD 4.48Å; L843-M863 HydrophobicContact CD2-CB 4.26Å; L843-M863 HydrophobicContact CD2-SD 4.36Å; E859-M863 WeakPolarHBondContact O-CG 3.17Å; E859-M863 PolarHBondContact O-N 3.12Å; I860-M863 WeakPolarHBondContact O-CB 3.12Å; I860-M863 PolarHBondContact O-N 3.21Å; M863-T866 PolarHBondContact O-OG1 3.2Å; M863-V867 WeakPolarHBondContact O-CG2 3.26Å
864F91.4Very high88.5Confident3 Ų345.4 Ų45.41%0.01324%0.238CC..Hα-helixtrans-70.3-35.9173.7-75.1-55.6000112.2L843 E844 I860 G861 E862 V867 G868 M869 Q872 A873L843-F864 HydrophobicContact CB-CE1 4.44Å; L843-F864 HydrophobicContact CB-CZ 3.98Å; L843-F864 HydrophobicContact CD2-CD1 4.44Å; L843-F864 HydrophobicContact CD2-CE1 3.94Å; L843-F864 HydrophobicContact CD2-CE2 4.2Å; L843-F864 HydrophobicContact CD2-CZ 3.81Å; L843-F864 HydrophobicContact CG-CE1 4.37Å; L843-F864 HydrophobicContact CG-CE2 4.18Å; L843-F864 HydrophobicContact CG-CZ 3.8Å; E844-F864 HydrophobicContact CB-CZ 4.23Å; I860-F864 HydrophobicContact CG2-CD2 3.72Å; I860-F864 HydrophobicContact CG2-CE2 3.41Å; I860-F864 VanDerWaalsContact CG2-CE2 3.41Å; I860-F864 HydrophobicContact CG2-CZ 4.37Å; I860-F864 VanDerWaalsContact O-CD2 3.24Å; I860-F864 WeakPolarHBondContact O-CD2 3.38Å; I860-F864 PolarHBondContact O-N 2.79Å; G861-F864 PolarHBondContact O-N 3.17Å; E862-F864 VanDerWaalsContact C-N 3.31Å; E862-F864 PolarHBondContact O-N 3.32Å; F864-V867 PolarHBondContact O-N 3.32Å; F864-G868 PolarHBondContact O-N 2.88Å; F864-G868 VanDerWaalsContact O-N 3.16Å; F864-M869 HydrophobicContact CB-CB 4.18Å; F864-M869 HydrophobicContact CD1-CB 4Å; F864-M869 HydrophobicContact CD1-SD 3.9Å; F864-M869 HydrophobicContact CE1-SD 4.1Å; F864-M869 HydrophobicContact CG-CB 4.49Å; F864-M869 PolarHBondContact O-N 3.43Å; F864-Q872 HydrophobicContact CB-CB 4.28Å; F864-Q872 HydrophobicContact CD1-CB 3.84Å; F864-Q872 HydrophobicContact CD2-CB 3.84Å; F864-Q872 HydrophobicContact CE1-CB 4.06Å; F864-Q872 HydrophobicContact CE1-CG 4.4Å; F864-Q872 HydrophobicContact CE2-CB 4.05Å; F864-Q872 HydrophobicContact CG-CB 3.74Å; F864-Q872 HydrophobicContact CZ-CB 4.16Å; F864-A873 HydrophobicContact CB-CB 3.77Å
865A88.6Confident88.6Confident13 Ų1348.5 Ų48.511%0.10725%0.251CS..Hα-helixtrans-65.3-42.6178.400000112.2G861 E862 V867 G868 A873 T889G861-A865 WeakPolarHBondContact O-CB 3.48Å; G861-A865 PolarHBondContact O-N 3.32Å; E862-A865 WeakPolarHBondContact O-CB 3.23Å; E862-A865 PolarHBondContact O-N 3.13Å; A865-V867 VanDerWaalsContact C-N 3.26Å; A865-V867 PolarHBondContact O-N 2.88Å; A865-G868 PolarHBondContact O-N 3.25Å; A865-G868 VanDerWaalsContact O-N 3.11Å; A865-A873 HydrophobicContact CB-CB 4.3Å; A865-T889 HydrophobicContact CB-CG2 3.66Å
866T88Confident88.8Confident89 Ų8940.1 Ų40.155%0.54622%0.215SC..Hα-helixtrans-63.8-31.3178.353.10000112.8Y835 E862 M863 G868Y835-T866 PolarHBondContact OH-OG1 3.42Å; E862-T866 WeakPolarHBondContact O-CG2 3.47Å; E862-T866 PolarHBondContact O-N 3.31Å; E862-T866 PolarHBondContact O-OG1 3.23Å; M863-T866 PolarHBondContact O-OG1 3.2Å; T866-G868 VanDerWaalsContact C-N 3.35Å
867V87.8Confident88.8Confident54 Ų5440.9 Ų40.933%0.32722%0.218SC..Hα-helixtrans-84.1-13.3178.1177.20000112Y835 Y840 M863 F864 A865 M869Y835-V867 HydrophobicContact CD2-CG2 4.44Å; Y835-V867 HydrophobicContact CE2-CG2 3.59Å; Y840-V867 HydrophobicContact CE1-CB 4.32Å; Y840-V867 HydrophobicContact CE1-CG1 3.89Å; Y840-V867 HydrophobicContact CE1-CG2 3.76Å; Y840-V867 HydrophobicContact CE2-CG1 4.15Å; M863-V867 WeakPolarHBondContact O-CG2 3.26Å; F864-V867 PolarHBondContact O-N 3.32Å; A865-V867 VanDerWaalsContact C-N 3.26Å; A865-V867 PolarHBondContact O-N 2.88Å; V867-M869 HydrophobicContact CG1-CG 4.32Å
868G84.5Confident88.8Confident39 Ų3944.3 Ų44.340%0.40224%0.236SC..THydrogen-bonded Turntrans8910.6-179.300000114.8F864 A865 T866 C870F864-G868 PolarHBondContact O-N 2.88Å; F864-G868 VanDerWaalsContact O-N 3.16Å; A865-G868 PolarHBondContact O-N 3.25Å; A865-G868 VanDerWaalsContact O-N 3.11Å; T866-G868 VanDerWaalsContact C-N 3.35Å; G868-C870 VanDerWaalsContact C-N 3.31Å; G868-C870 PolarHBondContact O-N 2.83Å
869M87.6Confident88.8Confident57 Ų5745.7 Ų45.728%0.28124%0.238SC..  trans-80.474.5176.6-72.8-166.6172.100111.5Y840 F864 V867 E871 Q872 A873Y840-M869 HydrophobicContact CD1-SD 4.45Å; Y840-M869 HydrophobicContact CD2-CE 3.64Å; Y840-M869 HydrophobicContact CD2-SD 4.47Å; Y840-M869 HydrophobicContact CE2-CE 4.39Å; Y840-M869 HydrophobicContact CG-CE 3.76Å; Y840-M869 HydrophobicContact CG-SD 4.02Å; F864-M869 HydrophobicContact CB-CB 4.18Å; F864-M869 HydrophobicContact CD1-CB 4Å; F864-M869 HydrophobicContact CD1-SD 3.9Å; F864-M869 HydrophobicContact CE1-SD 4.1Å; F864-M869 HydrophobicContact CG-CB 4.49Å; F864-M869 PolarHBondContact O-N 3.43Å; V867-M869 HydrophobicContact CG1-CG 4.32Å; M869-E871 VanDerWaalsContact C-N 3.34Å; M869-E871 PolarHBondContact O-N 3.28Å; M869-Q872 HydrophobicContact CB-CB 4.33Å; M869-Q872 PolarHBondContact O-N 3.24Å; M869-A873 WeakPolarHBondContact O-CB 3.4Å; M869-A873 PolarHBondContact O-N 3.3Å
870C86.6Confident88.7Confident10 Ų1041 Ų417%0.06822%0.217CC..Hα-helixtrans-60.8-35.9-171.9-1690000114G868 V874 C890 L893 Q895G868-C870 VanDerWaalsContact C-N 3.31Å; G868-C870 PolarHBondContact O-N 2.83Å; C870-V874 WeakPolarHBondContact O-CB 3.34Å; C870-V874 WeakPolarHBondContact O-CG2 3.46Å; C870-V874 PolarHBondContact O-N 3.19Å; C870-C890 VanDerWaalsContact SG-SG 3.62Å; C870-L893 HydrophobicContact CB-CB 4.48Å; C870-L893 HydrophobicContact CB-CD1 3.62Å; C870-Q895 HydrophobicContact CB-CG 4.17Å
871E88.8Confident88.5Confident106 Ų10647.4 Ų47.450%0.49525%0.251SS..Hα-helixtrans-71.1-44.1-177-65.8-169166.300112.1M869 V874 K875 K898M869-E871 VanDerWaalsContact C-N 3.34Å; M869-E871 PolarHBondContact O-N 3.28Å; E871-V874 PolarHBondContact O-N 3.13Å; E871-K875 VanDerWaalsContact O-CG 3.32Å; E871-K875 WeakPolarHBondContact O-CG 3.39Å; E871-K875 PolarHBondContact O-N 3.07Å; E871-K898 VanDerWaalsContact CG-NZ 3.29Å; E871-K898 IonicContact OE1-NZ 3.5Å; E871-K898 PolarHBondContact OE1-NZ 2.87Å
872Q90.1Very high88.4Confident45 Ų4551.5 Ų51.521%0.2127%0.27CS..Hα-helixtrans-66.3-43.6178.2-65.878.4-4.700110.2F864 M869 V874 K875 A876F864-Q872 HydrophobicContact CB-CB 4.28Å; F864-Q872 HydrophobicContact CD1-CB 3.84Å; F864-Q872 HydrophobicContact CD2-CB 3.84Å; F864-Q872 HydrophobicContact CE1-CB 4.06Å; F864-Q872 HydrophobicContact CE1-CG 4.4Å; F864-Q872 HydrophobicContact CE2-CB 4.05Å; F864-Q872 HydrophobicContact CG-CB 3.74Å; F864-Q872 HydrophobicContact CZ-CB 4.16Å; M869-Q872 HydrophobicContact CB-CB 4.33Å; M869-Q872 PolarHBondContact O-N 3.24Å; Q872-V874 PolarHBondContact O-N 2.87Å; Q872-K875 PolarHBondContact O-N 3.45Å; Q872-A876 PolarHBondContact O-N 3.06Å
873A90.4Very high88.2Confident0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-59.3-47.2174.300000111.7G861 F864 A865 M869 K875 A876 Y877 T889G861-A873 WeakPolarHBondContact O-CB 3.27Å; F864-A873 HydrophobicContact CB-CB 3.77Å; A865-A873 HydrophobicContact CB-CB 4.3Å; M869-A873 WeakPolarHBondContact O-CB 3.4Å; M869-A873 PolarHBondContact O-N 3.3Å; A873-K875 PolarHBondContact O-N 3.32Å; A873-A876 PolarHBondContact O-N 3.41Å; A873-Y877 HydrophobicContact CB-CD2 4.48Å; A873-Y877 HydrophobicContact CB-CE2 4.35Å; A873-Y877 WeakPolarHBondContact O-CD2 3.26Å; A873-Y877 PolarHBondContact O-N 3.34Å; A873-T889 HydrophobicContact CB-CG2 3.98Å
874V89.3Confident87.9Confident19 Ų1951.7 Ų51.712%0.11527%0.272CS..Hα-helixtrans-62.2-43.1177.5168.60000111.2C870 E871 Q872 A876 Y877 L878 A886 C890 L902C870-V874 WeakPolarHBondContact O-CB 3.34Å; C870-V874 WeakPolarHBondContact O-CG2 3.46Å; C870-V874 PolarHBondContact O-N 3.19Å; E871-V874 PolarHBondContact O-N 3.13Å; Q872-V874 PolarHBondContact O-N 2.87Å; V874-A876 PolarHBondContact O-N 3.29Å; V874-Y877 PolarHBondContact O-N 3.13Å; V874-L878 HydrophobicContact CG1-CD1 3.67Å; V874-L878 HydrophobicContact CG1-CG 4.14Å; V874-L878 WeakPolarHBondContact O-CB 3.22Å; V874-L878 WeakPolarHBondContact O-CG 3.37Å; V874-L878 PolarHBondContact O-N 2.94Å; V874-A886 HydrophobicContact CG1-CB 4.3Å; V874-A886 HydrophobicContact CG2-CB 4.27Å; V874-C890 VanDerWaalsContact CG2-SG 3.53Å; V874-L902 HydrophobicContact CG1-CD1 4.12Å; V874-L902 HydrophobicContact CG2-CD1 4.39Å
875K89.3Confident87.6Confident120 Ų12052.7 Ų52.752%0.52228%0.281SS..Hα-helixtrans-59.3-45.8175.3-73.9174-173.4174.80111.8E844 E871 Q872 A873 L878 K879E844-K875 IonicContact OE1-NZ 2.84Å; E871-K875 VanDerWaalsContact O-CG 3.32Å; E871-K875 WeakPolarHBondContact O-CG 3.39Å; E871-K875 PolarHBondContact O-N 3.07Å; Q872-K875 PolarHBondContact O-N 3.45Å; A873-K875 PolarHBondContact O-N 3.32Å; K875-L878 PolarHBondContact O-N 3.37Å; K875-K879 WeakPolarHBondContact O-CB 3.34Å; K875-K879 PolarHBondContact O-N 3.04Å
876A89.5Confident87.5Confident5 Ų552.1 Ų52.14%0.04128%0.276CS..Hα-helixtrans-62.4-46.7177.700000111.9Q872 A873 V874 L878 K879 S880Q872-A876 PolarHBondContact O-N 3.06Å; A873-A876 PolarHBondContact O-N 3.41Å; V874-A876 PolarHBondContact O-N 3.29Å; A876-L878 PolarHBondContact O-N 2.71Å; A876-K879 PolarHBondContact O-N 2.99Å; A876-S880 PolarHBondContact O-N 3.21Å
877Y90.3Very high87.3Confident21 Ų2148 Ų488%0.08225%0.251CS..Hα-helixtrans-65.8-38.3178.2-73.5-51.9000113.2P858 E862 A873 V874 S880 N881 Q882 A885 T889P858-Y877 HydrophobicContact CB-CE1 4.5Å; P858-Y877 WeakPolarHBondContact O-CE1 3.48Å; E862-Y877 WeakPolarHBondContact CA-OH 3.39Å; E862-Y877 PolarHBondContact N-OH 2.92Å; A873-Y877 HydrophobicContact CB-CD2 4.48Å; A873-Y877 HydrophobicContact CB-CE2 4.35Å; A873-Y877 WeakPolarHBondContact O-CD2 3.26Å; A873-Y877 PolarHBondContact O-N 3.34Å; V874-Y877 PolarHBondContact O-N 3.13Å; Y877-S880 WeakPolarHBondContact CA-OG 3.3Å; Y877-S880 CarbonylContact O-C 3.57Å; Y877-S880 PolarHBondContact O-N 3.16Å; Y877-S880 PolarHBondContact O-OG 2.86Å; Y877-N881 PolarHBondContact O-N 3.42Å; Y877-Q882 PolarHBondContact O-N 3.35Å; Y877-A885 HydrophobicContact CD1-CB 3.81Å; Y877-A885 HydrophobicContact CD2-CB 4.39Å; Y877-A885 HydrophobicContact CE1-CB 4Å; Y877-A885 HydrophobicContact CG-CB 4.04Å; Y877-T889 VanDerWaalsContact CE2-OG1 3.25Å; Y877-T889 WeakPolarHBondContact CE2-OG1 3.25Å
878L88.2Confident87.1Confident72 Ų7249.2 Ų49.238%0.37726%0.256SS..Hα-helixtrans-65.7-40.6174.7-71174.8000111.6V874 K875 A876 S880 N881V874-L878 HydrophobicContact CG1-CD1 3.67Å; V874-L878 HydrophobicContact CG1-CG 4.14Å; V874-L878 WeakPolarHBondContact O-CB 3.22Å; V874-L878 WeakPolarHBondContact O-CG 3.37Å; V874-L878 PolarHBondContact O-N 2.94Å; K875-L878 PolarHBondContact O-N 3.37Å; A876-L878 PolarHBondContact O-N 2.71Å; L878-S880 PolarHBondContact O-N 2.78Å; L878-N881 PolarHBondContact O-N 2.84Å
879K87.6Confident87.2Confident62 Ų6247.9 Ų47.927%0.2724%0.24SC..Hα-helixtrans-65.7-22.4174.2-162.4176.9176.2-175.20112.9A847 A848 L850 E852 N853 L857 K875 A876A847-K879 PolarHBondContact O-NZ 2.88Å; A848-K879 PolarHBondContact O-NZ 2.81Å; L850-K879 WeakPolarHBondContact O-CE 3.42Å; L850-K879 PolarHBondContact O-NZ 2.85Å; E852-K879 HydrophobicContact CG-CG 4.45Å; N853-K879 PolarHBondContact N-O 2.95Å; N853-K879 VanDerWaalsContact N-O 3.07Å; L857-K879 HydrophobicContact CD1-CB 4.16Å; L857-K879 HydrophobicContact CD1-CD 4.04Å; L857-K879 HydrophobicContact CD1-CG 3.85Å; L857-K879 HydrophobicContact CD2-CD 4.22Å; K875-K879 WeakPolarHBondContact O-CB 3.34Å; K875-K879 PolarHBondContact O-N 3.04Å; A876-K879 PolarHBondContact O-N 2.99Å
880S86.5Confident87.1Confident2 Ų245.2 Ų45.21%0.01423%0.226CC..THydrogen-bonded Turntrans-89.74.5171.477.40000114.7N853 A876 Y877 L878 Q882N853-S880 PolarHBondContact OD1-O 2.84Å; A876-S880 PolarHBondContact O-N 3.21Å; Y877-S880 WeakPolarHBondContact CA-OG 3.3Å; Y877-S880 CarbonylContact O-C 3.57Å; Y877-S880 PolarHBondContact O-N 3.16Å; Y877-S880 PolarHBondContact O-OG 2.86Å; L878-S880 PolarHBondContact O-N 2.78Å; S880-Q882 VanDerWaalsContact C-N 3.31Å; S880-Q882 PolarHBondContact O-N 3.4Å
881N85.4Confident86.9Confident135 Ų13546 Ų4672%0.72223%0.231SC*.THydrogen-bonded Turntrans58.635-176.5-162.229.6000114.3Y877 L878 P883Y877-N881 PolarHBondContact O-N 3.42Å; L878-N881 PolarHBondContact O-N 2.84Å; N881-P883 VanDerWaalsContact C-CD 3.44Å; N881-P883 VanDerWaalsContact O-CD 3.27Å; N881-P883 WeakPolarHBondContact O-CD 3.46Å
882Q86.6Confident86.5Confident86 Ų8648.1 Ų48.140%0.40224%0.241SC..  trans-117.272.3178.9-63.4-170.28.400112.4Y877 S880 K884 A885 A886Y877-Q882 PolarHBondContact O-N 3.35Å; S880-Q882 VanDerWaalsContact C-N 3.31Å; S880-Q882 PolarHBondContact O-N 3.4Å; Q882-K884 PolarHBondContact O-N 3.06Å; Q882-A885 HydrophobicContact CB-CB 4.15Å; Q882-A885 PolarHBondContact O-N 3.45Å; Q882-A886 PolarHBondContact O-N 2.86Å
883P84.9Confident86.2Confident37 Ų3747.9 Ų47.924%0.2424%0.24CC..Hα-helixtrans-66.8-24.4-178.127.2-34.8000113.3N881 A886 V887 M908N881-P883 VanDerWaalsContact C-CD 3.44Å; N881-P883 VanDerWaalsContact O-CD 3.27Å; N881-P883 WeakPolarHBondContact O-CD 3.46Å; P883-A886 PolarHBondContact O-N 3.37Å; P883-V887 PolarHBondContact O-N 3.25Å; P883-V887 VanDerWaalsContact O-N 3.09Å; P883-M908 HydrophobicContact CB-CE 4.26Å
884K84.9Confident85.6Confident111 Ų11152.6 Ų52.648%0.48327%0.266SS..Hα-helixtrans-65.6-48.5175.3-173.5170.5-179.4162.40111.4Q882 A886 V887 D888 E910Q882-K884 PolarHBondContact O-N 3.06Å; K884-A886 VanDerWaalsContact C-N 3.28Å; K884-A886 PolarHBondContact O-N 3.49Å; K884-V887 PolarHBondContact O-N 3.06Å; K884-D888 WeakPolarHBondContact O-CB 3.14Å; K884-D888 PolarHBondContact O-N 3.09Å; K884-E910 IonicContact NZ-OE1 2.66Å; K884-E910 PolarHBondContact NZ-OE1 3.11Å; K884-E910 IonicContact NZ-OE2 2.75Å
885A84.8Confident85.1Confident24 Ų2456 Ų5620%0.19828%0.28CS..Hα-helixtrans-61.2-36.7176.300000112.1Y877 Q882 D888 T889Y877-A885 HydrophobicContact CD1-CB 3.81Å; Y877-A885 HydrophobicContact CD2-CB 4.39Å; Y877-A885 HydrophobicContact CE1-CB 4Å; Y877-A885 HydrophobicContact CG-CB 4.04Å; Q882-A885 HydrophobicContact CB-CB 4.15Å; Q882-A885 PolarHBondContact O-N 3.45Å; A885-D888 PolarHBondContact O-N 3.19Å; A885-T889 WeakPolarHBondContact O-CB 3.28Å; A885-T889 PolarHBondContact O-N 3.04Å; A885-T889 PolarHBondContact O-OG1 3.33Å
886A86.4Confident84.4Confident1 Ų151.8 Ų51.81%0.00826%0.261CS..Hα-helixtrans-63.1-44.1174.700000112.7V874 Q882 P883 K884 T889 C890V874-A886 HydrophobicContact CG1-CB 4.3Å; V874-A886 HydrophobicContact CG2-CB 4.27Å; Q882-A886 PolarHBondContact O-N 2.86Å; P883-A886 PolarHBondContact O-N 3.37Å; K884-A886 VanDerWaalsContact C-N 3.28Å; K884-A886 PolarHBondContact O-N 3.49Å; A886-T889 PolarHBondContact O-N 3.25Å; A886-C890 PolarHBondContact O-N 3.45Å; A886-C890 VanDerWaalsContact O-N 3.07Å; A886-C890 PolarHBondContact O-SG 2.89Å
887V84.6Confident83.9Confident3 Ų357.1 Ų57.12%0.01829%0.289CS..Hα-helixtrans-67.4-44.5175.9170.60000111.1P883 K884 T889 C890 V891 A899 L902 M908P883-V887 PolarHBondContact O-N 3.25Å; P883-V887 VanDerWaalsContact O-N 3.09Å; K884-V887 PolarHBondContact O-N 3.06Å; V887-T889 VanDerWaalsContact C-N 3.26Å; V887-T889 PolarHBondContact O-N 2.83Å; V887-C890 WeakPolarHBondContact O-CB 3.06Å; V887-C890 PolarHBondContact O-N 2.81Å; V887-C890 VanDerWaalsContact O-N 3.11Å; V887-V891 HydrophobicContact CG1-CG2 4.42Å; V887-V891 WeakPolarHBondContact O-CG2 3.36Å; V887-V891 PolarHBondContact O-N 3.44Å; V887-A899 HydrophobicContact CG1-CB 4.5Å; V887-L902 HydrophobicContact CG2-CB 3.67Å; V887-M908 HydrophobicContact CB-CE 4.09Å; V887-M908 HydrophobicContact CG2-CE 3.36Å; V887-M908 HydrophobicContact CG2-SD 4.26Å
888D83.3Confident83.4Confident79 Ų7959.4 Ų59.442%0.42230%0.3SS..Hα-helixtrans-60.5-38.1177.7-70.3-24.2000111.4K884 A885 V891 H892K884-D888 WeakPolarHBondContact O-CB 3.14Å; K884-D888 PolarHBondContact O-N 3.09Å; A885-D888 PolarHBondContact O-N 3.19Å; D888-V891 PolarHBondContact O-N 3.12Å; D888-H892 WeakPolarHBondContact O-CB 3.32Å; D888-H892 PolarHBondContact O-N 3.45Å
889T86.9Confident82.9Confident11 Ų1156 Ų567%0.06728%0.282CS..Hα-helixtrans-64.5-43.5173.7-580000111.7A865 A873 Y877 A885 A886 V887 V891 H892 L893A865-T889 HydrophobicContact CB-CG2 3.66Å; A873-T889 HydrophobicContact CB-CG2 3.98Å; Y877-T889 VanDerWaalsContact CE2-OG1 3.25Å; Y877-T889 WeakPolarHBondContact CE2-OG1 3.25Å; A885-T889 WeakPolarHBondContact O-CB 3.28Å; A885-T889 PolarHBondContact O-N 3.04Å; A885-T889 PolarHBondContact O-OG1 3.33Å; A886-T889 PolarHBondContact O-N 3.25Å; V887-T889 VanDerWaalsContact C-N 3.26Å; V887-T889 PolarHBondContact O-N 2.83Å; T889-V891 VanDerWaalsContact C-N 3.29Å; T889-V891 PolarHBondContact O-N 3.35Å; T889-H892 PolarHBondContact O-N 3.34Å; T889-L893 HydrophobicContact CG2-CD1 3.84Å; T889-L893 HydrophobicContact CG2-CG 4.36Å; T889-L893 WeakPolarHBondContact O-CB 3.27Å; T889-L893 WeakPolarHBondContact O-CG 3.45Å; T889-L893 PolarHBondContact O-N 3.47Å
890C85Confident82.3Confident0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-62.7-38.3175.6-65.90000111.7C870 V874 A886 V887 N894 Q895 A899C870-C890 VanDerWaalsContact SG-SG 3.62Å; V874-C890 VanDerWaalsContact CG2-SG 3.53Å; A886-C890 PolarHBondContact O-N 3.45Å; A886-C890 VanDerWaalsContact O-N 3.07Å; A886-C890 PolarHBondContact O-SG 2.89Å; V887-C890 WeakPolarHBondContact O-CB 3.06Å; V887-C890 PolarHBondContact O-N 2.81Å; V887-C890 VanDerWaalsContact O-N 3.11Å; C890-N894 PolarHBondContact O-N 2.9Å; C890-Q895 HydrophobicContact CB-CB 4.3Å; C890-Q895 WeakPolarHBondContact O-CA 3.02Å; C890-Q895 PolarHBondContact O-N 3.43Å; C890-A899 HydrophobicContact CB-CB 3.67Å
891V82.1Confident82Confident27 Ų2761.5 Ų61.516%0.16431%0.311CS..Hα-helixtrans-65.8-46174.8173.60000110.7V887 D888 T889 L893 N894 W896 A899 L914V887-V891 HydrophobicContact CG1-CG2 4.42Å; V887-V891 WeakPolarHBondContact O-CG2 3.36Å; V887-V891 PolarHBondContact O-N 3.44Å; D888-V891 PolarHBondContact O-N 3.12Å; T889-V891 VanDerWaalsContact C-N 3.29Å; T889-V891 PolarHBondContact O-N 3.35Å; V891-L893 VanDerWaalsContact C-N 3.32Å; V891-L893 PolarHBondContact O-N 3.05Å; V891-N894 PolarHBondContact O-N 3.38Å; V891-N894 VanDerWaalsContact O-N 3.16Å; V891-W896 HydrophobicContact CG1-CH2 3.78Å; V891-W896 HydrophobicContact CG1-CZ3 3.92Å; V891-W896 HydrophobicContact CG2-CZ3 4.33Å; V891-A899 HydrophobicContact CG2-CB 4.03Å; V891-L914 HydrophobicContact CG2-CD2 3.34Å; V891-L914 HydrophobicContact CG2-CG 4.45Å
892H80.6Confident81.7Confident150 Ų15056.5 Ų56.569%0.69429%0.285SS*.Hα-helixtrans-62.5-39.7-179.9-169.865.2000112.2D888 T889 N894D888-H892 WeakPolarHBondContact O-CB 3.32Å; D888-H892 PolarHBondContact O-N 3.45Å; T889-H892 PolarHBondContact O-N 3.34Å; H892-N894 VanDerWaalsContact C-N 3.26Å; H892-N894 PolarHBondContact O-N 3.43Å
893L82.9Confident81.3Confident40 Ų4052.6 Ų52.621%0.20927%0.267CS..THydrogen-bonded Turntrans-87.513.8178.1-62179.7000113.6C870 T889 V891 Q895C870-L893 HydrophobicContact CB-CB 4.48Å; C870-L893 HydrophobicContact CB-CD1 3.62Å; T889-L893 HydrophobicContact CG2-CD1 3.84Å; T889-L893 HydrophobicContact CG2-CG 4.36Å; T889-L893 WeakPolarHBondContact O-CB 3.27Å; T889-L893 WeakPolarHBondContact O-CG 3.45Å; T889-L893 PolarHBondContact O-N 3.47Å; V891-L893 VanDerWaalsContact C-N 3.32Å; V891-L893 PolarHBondContact O-N 3.05Å; L893-Q895 PolarHBondContact O-N 2.94Å; L893-Q895 VanDerWaalsContact O-N 3.12Å
894N78.3Confident80.9Confident100 Ų10059.6 Ų59.654%0.53529%0.289SS..THydrogen-bonded Turntrans57.224177.7-62.9-40.8000115.1C890 V891 H892 W896C890-N894 PolarHBondContact O-N 2.9Å; V891-N894 PolarHBondContact O-N 3.38Å; V891-N894 VanDerWaalsContact O-N 3.16Å; H892-N894 VanDerWaalsContact C-N 3.26Å; H892-N894 PolarHBondContact O-N 3.43Å; N894-W896 VanDerWaalsContact C-N 3.27Å; N894-W896 PolarHBondContact O-N 3.06Å; N894-W896 VanDerWaalsContact O-N 3.13Å
895Q80Confident80.6Confident89 Ų8958 Ų5842%0.41630%0.296SS..  trans-87.661.5174.9-66.5-67.4-25.400110.7C870 C890 L893 N897 K898 A899C870-Q895 HydrophobicContact CB-CG 4.17Å; C890-Q895 HydrophobicContact CB-CB 4.3Å; C890-Q895 WeakPolarHBondContact O-CA 3.02Å; C890-Q895 PolarHBondContact O-N 3.43Å; L893-Q895 PolarHBondContact O-N 2.94Å; L893-Q895 VanDerWaalsContact O-N 3.12Å; Q895-N897 PolarHBondContact O-N 2.77Å; Q895-K898 PolarHBondContact O-N 3.08Å; Q895-A899 PolarHBondContact O-N 3.04Å
896W74.8Confident80.3Confident32 Ų3261.4 Ų61.412%0.12131%0.308CS..Hα-helixtrans-60.3-37.7-170.6-62.698.9000114.4V891 N894 A899 V900 L914 K917 Y918V891-W896 HydrophobicContact CG1-CH2 3.78Å; V891-W896 HydrophobicContact CG1-CZ3 3.92Å; V891-W896 HydrophobicContact CG2-CZ3 4.33Å; N894-W896 VanDerWaalsContact C-N 3.27Å; N894-W896 PolarHBondContact O-N 3.06Å; N894-W896 VanDerWaalsContact O-N 3.13Å; W896-A899 WeakPolarHBondContact O-CB 3.45Å; W896-A899 PolarHBondContact O-N 3.07Å; W896-V900 WeakPolarHBondContact O-CG2 3.42Å; W896-V900 PolarHBondContact O-N 3.05Å; W896-L914 HydrophobicContact CZ3-CD2 4.49Å; W896-K917 HydrophobicContact CH2-CB 4.25Å; W896-Y918 HydrophobicContact CB-CD2 3.96Å; W896-Y918 HydrophobicContact CB-CE2 3.88Å; W896-Y918 AromaticContact CD2-CD2 3.73Å; W896-Y918 HydrophobicContact CD2-CD2 3.73Å; W896-Y918 HydrophobicContact CD2-CE2 4.42Å; W896-Y918 HydrophobicContact CE3-CD2 4.07Å; W896-Y918 HydrophobicContact CE3-CG 4.41Å; W896-Y918 AromaticContact CG-CD2 3.66Å; W896-Y918 HydrophobicContact CG-CD2 3.66Å; W896-Y918 AromaticContact CG-CE2 3.87Å; W896-Y918 HydrophobicContact CG-CE2 3.87Å
897N78.3Confident79.4Confident117 Ų11768.5 Ų68.563%0.62635%0.345SS*.Hα-helixtrans-63.1-48.2179-68.3-27.6000111.4Q895 A899 V900 E901Q895-N897 PolarHBondContact O-N 2.77Å; N897-A899 VanDerWaalsContact C-N 3.34Å; N897-A899 PolarHBondContact O-N 2.67Å; N897-V900 PolarHBondContact O-N 2.94Å; N897-E901 WeakPolarHBondContact O-CG 3.47Å; N897-E901 PolarHBondContact O-N 2.88Å
898K78.8Confident78.7Confident70 Ų7070.3 Ų70.330%0.30435%0.354SS..Hα-helixtrans-64-38.9175.2-73.1-177.9176.1175.20111.6E871 Q895 V900 E901 L902E871-K898 VanDerWaalsContact CG-NZ 3.29Å; E871-K898 IonicContact OE1-NZ 3.5Å; E871-K898 PolarHBondContact OE1-NZ 2.87Å; Q895-K898 PolarHBondContact O-N 3.08Å; K898-V900 VanDerWaalsContact C-N 3.32Å; K898-V900 PolarHBondContact O-N 2.75Å; K898-E901 PolarHBondContact O-N 3.3Å; K898-L902 VanDerWaalsContact O-CB 3.31Å; K898-L902 WeakPolarHBondContact O-CB 3.4Å; K898-L902 VanDerWaalsContact O-CG 3.25Å; K898-L902 WeakPolarHBondContact O-CG 3.3Å; K898-L902 PolarHBondContact O-N 3.24Å
899A78.7Confident77.8Confident0 Ų076.6 Ų76.60%038%0.378CS..Hα-helixtrans-59.9-42.4176.300000111.9V887 C890 V891 Q895 W896 N897 A903V887-A899 HydrophobicContact CG1-CB 4.5Å; C890-A899 HydrophobicContact CB-CB 3.67Å; V891-A899 HydrophobicContact CG2-CB 4.03Å; Q895-A899 PolarHBondContact O-N 3.04Å; W896-A899 WeakPolarHBondContact O-CB 3.45Å; W896-A899 PolarHBondContact O-N 3.07Å; N897-A899 VanDerWaalsContact C-N 3.34Å; N897-A899 PolarHBondContact O-N 2.67Å; A899-A903 WeakPolarHBondContact O-CB 3.23Å; A899-A903 PolarHBondContact O-N 3.26Å
900V74.6Confident76.6Confident50 Ų5081 Ų8130%0.30340%0.398SS..Hα-helixtrans-71.3-40178.1173.50000111.7W896 N897 K898 A903 R904W896-V900 WeakPolarHBondContact O-CG2 3.42Å; W896-V900 PolarHBondContact O-N 3.05Å; N897-V900 PolarHBondContact O-N 2.94Å; K898-V900 VanDerWaalsContact C-N 3.32Å; K898-V900 PolarHBondContact O-N 2.75Å; V900-A903 PolarHBondContact O-N 3.15Å; V900-R904 WeakPolarHBondContact O-CB 3.45Å; V900-R904 WeakPolarHBondContact O-CG 3.32Å; V900-R904 PolarHBondContact O-N 3.07Å
901E80.1Confident75.6Confident129 Ų12984 Ų8460%0.60341%0.413SS*.Hα-helixtrans-61.8-48.4175.1-74.8172.9-175.100111.6N897 K898 R904 A905N897-E901 WeakPolarHBondContact O-CG 3.47Å; N897-E901 PolarHBondContact O-N 2.88Å; K898-E901 PolarHBondContact O-N 3.3Å; E901-R904 PolarHBondContact O-N 3.42Å; E901-A905 WeakPolarHBondContact O-CB 3.47Å; E901-A905 PolarHBondContact O-N 2.86Å
902L80.1Confident74.7Confident31 Ų3191.1 Ų91.116%0.16244%0.442CS..Hα-helixtrans-63.4-42.2176.4-71.8169.2000111.7V874 V887 K898 R904 A905 H906V874-L902 HydrophobicContact CG1-CD1 4.12Å; V874-L902 HydrophobicContact CG2-CD1 4.39Å; V887-L902 HydrophobicContact CG2-CB 3.67Å; K898-L902 VanDerWaalsContact O-CB 3.31Å; K898-L902 WeakPolarHBondContact O-CB 3.4Å; K898-L902 VanDerWaalsContact O-CG 3.25Å; K898-L902 WeakPolarHBondContact O-CG 3.3Å; K898-L902 PolarHBondContact O-N 3.24Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.44Å; L902-A905 PolarHBondContact O-N 3.48Å; L902-H906 PolarHBondContact O-CD2 3.16Å; L902-H906 PolarHBondContact O-N 3.42Å
903A77.4Confident74Confident4 Ų486.7 Ų86.73%0.03343%0.428CS..Hα-helixtrans-65.1-34.3177.500000112.8A899 V900 N907 M908 I911A899-A903 WeakPolarHBondContact O-CB 3.23Å; A899-A903 PolarHBondContact O-N 3.26Å; V900-A903 PolarHBondContact O-N 3.15Å; A903-N907 PolarHBondContact O-N 3.12Å; A903-N907 VanDerWaalsContact O-N 3.1Å; A903-M908 PolarHBondContact O-N 3.09Å; A903-I911 HydrophobicContact CB-CG1 4.43Å
904R76.6Confident73.3Confident184 Ų18486.1 Ų86.169%0.69443%0.425SS*.Hα-helixtrans-72.5-46.5173-75.4-177.9-162.1177.77.6111.9V900 E901 L902 H906 N907V900-R904 WeakPolarHBondContact O-CB 3.45Å; V900-R904 WeakPolarHBondContact O-CG 3.32Å; V900-R904 PolarHBondContact O-N 3.07Å; E901-R904 PolarHBondContact O-N 3.42Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 3.44Å; R904-H906 PolarHBondContact O-N 3.14Å; R904-N907 PolarHBondContact O-N 3.37Å; R904-N907 VanDerWaalsContact O-N 3.12Å
905A78.6Confident72.7Confident77 Ų7784 Ų8464%0.63641%0.413SS*.Hα-helixtrans-57.6-36.4179.100000112.1E901 L902E901-A905 WeakPolarHBondContact O-CB 3.47Å; E901-A905 PolarHBondContact O-N 2.86Å; L902-A905 PolarHBondContact O-N 3.48Å
906H77.4Confident72.2Confident96 Ų9682.7 Ų82.744%0.44441%0.414SS..THydrogen-bonded Turntrans-101.410.5178.6-65.4-74.5000114.6L902 R904 M908L902-H906 PolarHBondContact O-CD2 3.16Å; L902-H906 PolarHBondContact O-N 3.42Å; R904-H906 PolarHBondContact O-N 3.14Å; H906-M908 HydrophobicContact CB-CE 4.08Å; H906-M908 HydrophobicContact CB-CG 4.46Å; H906-M908 PolarHBondContact O-N 3.49Å
907N69.3Low72Confident149 Ų14987.2 Ų87.280%0.79743%0.434SS*.THydrogen-bonded Turntrans51.648.2171.5-1321.5000114.8A903 R904A903-N907 PolarHBondContact O-N 3.12Å; A903-N907 VanDerWaalsContact O-N 3.1Å; R904-N907 PolarHBondContact O-N 3.37Å; R904-N907 VanDerWaalsContact O-N 3.12Å
908M69.8Low71.7Confident42 Ų4284.4 Ų84.421%0.20742%0.415CS..  trans-77.6136.9-174.6-58.7-164-157.400113.2P883 V887 A903 H906 E910 I911P883-M908 HydrophobicContact CB-CE 4.26Å; V887-M908 HydrophobicContact CB-CE 4.09Å; V887-M908 HydrophobicContact CG2-CE 3.36Å; V887-M908 HydrophobicContact CG2-SD 4.26Å; A903-M908 PolarHBondContact O-N 3.09Å; H906-M908 HydrophobicContact CB-CE 4.08Å; H906-M908 HydrophobicContact CB-CG 4.46Å; H906-M908 PolarHBondContact O-N 3.49Å; M908-E910 VanDerWaalsContact C-N 3.32Å; M908-E910 PolarHBondContact O-N 3.41Å; M908-I911 VanDerWaalsContact O-CD1 3.25Å; M908-I911 WeakPolarHBondContact O-CD1 3.36Å; M908-I911 VanDerWaalsContact O-CG1 3.32Å; M908-I911 WeakPolarHBondContact O-CG1 3.37Å
909K64.1Low71.2Confident210 Ų21081 Ų8191%0.91340%0.401SS*.THydrogen-bonded Turntrans-72.7-18.1-179.3-69.8179.6-179.9177.10114.5I911K909-I911 VanDerWaalsContact C-N 3.3Å; K909-I911 PolarHBondContact O-N 3.38Å
910E62.1Low71Confident104 Ų10483.6 Ų83.649%0.48642%0.419SS..THydrogen-bonded Turntrans-84.29.6-173.1-66.9176.6-168.700114.3K884 M908 K912 S913 L914K884-E910 IonicContact NZ-OE1 2.66Å; K884-E910 PolarHBondContact NZ-OE1 3.11Å; K884-E910 IonicContact NZ-OE2 2.75Å; M908-E910 VanDerWaalsContact C-N 3.32Å; M908-E910 PolarHBondContact O-N 3.41Å; E910-K912 PolarHBondContact O-N 3.25Å; E910-S913 PolarHBondContact O-N 3.23Å; E910-S913 VanDerWaalsContact O-N 3.16Å; E910-S913 PolarHBondContact O-OG 3.03Å; E910-L914 PolarHBondContact O-N 3.09Å
911I63.4Low71Confident64 Ų6483.6 Ų83.633%0.32842%0.415SS..Hα-helixtrans-54.8-33-177.3-67.9163.5000113.2A903 M908 K909 S913 L914 L915A903-I911 HydrophobicContact CB-CG1 4.43Å; M908-I911 VanDerWaalsContact O-CD1 3.25Å; M908-I911 WeakPolarHBondContact O-CD1 3.36Å; M908-I911 VanDerWaalsContact O-CG1 3.32Å; M908-I911 WeakPolarHBondContact O-CG1 3.37Å; K909-I911 VanDerWaalsContact C-N 3.3Å; K909-I911 PolarHBondContact O-N 3.38Å; I911-S913 PolarHBondContact O-N 3.2Å; I911-L914 PolarHBondContact O-N 2.97Å; I911-L915 HydrophobicContact CG2-CD1 3.68Å; I911-L915 HydrophobicContact CG2-CG 4.12Å; I911-L915 WeakPolarHBondContact O-CB 3.46Å; I911-L915 WeakPolarHBondContact O-CG 3.32Å; I911-L915 PolarHBondContact O-N 3.48Å
912K62.5Low70.7Confident175 Ų17577.7 Ų77.776%0.76139%0.388SS*.Hα-helixtrans-63.2-40.8-179.4-69.6-172.6177.6-173.30113.2E910 S916E910-K912 PolarHBondContact O-N 3.25Å; K912-S916 PolarHBondContact O-N 2.87Å
913S66.8Low70.6Confident58 Ų5878.7 Ų78.741%0.40639%0.393SS..Hα-helixtrans-72.3-38.5179.962.80000110.9E910 I911 S916 K917E910-S913 PolarHBondContact O-N 3.23Å; E910-S913 VanDerWaalsContact O-N 3.16Å; E910-S913 PolarHBondContact O-OG 3.03Å; I911-S913 PolarHBondContact O-N 3.2Å; S913-S916 PolarHBondContact O-N 2.85Å; S913-S916 PolarHBondContact O-OG 2.92Å; S913-K917 PolarHBondContact O-N 2.79Å
914L68.1Low70.5Confident28 Ų2885.8 Ų85.815%0.14743%0.426CS..Hα-helixtrans-59.8-45172-92.9126.6000112.6V891 W896 E910 I911 S916 K917 Y918V891-L914 HydrophobicContact CG2-CD2 3.34Å; V891-L914 HydrophobicContact CG2-CG 4.45Å; W896-L914 HydrophobicContact CZ3-CD2 4.49Å; E910-L914 PolarHBondContact O-N 3.09Å; I911-L914 PolarHBondContact O-N 2.97Å; L914-S916 VanDerWaalsContact C-N 3.3Å; L914-S916 PolarHBondContact O-N 2.81Å; L914-K917 PolarHBondContact O-N 3.21Å; L914-Y918 PolarHBondContact O-N 2.91Å
915L66.4Low70.6Confident54 Ų5481.4 Ų81.428%0.28341%0.413SS..Hα-helixtrans-61.3-38.7177-78.6165.6000112.1I911 Y918 A919 L934I911-L915 HydrophobicContact CG2-CD1 3.68Å; I911-L915 HydrophobicContact CG2-CG 4.12Å; I911-L915 WeakPolarHBondContact O-CB 3.46Å; I911-L915 WeakPolarHBondContact O-CG 3.32Å; I911-L915 PolarHBondContact O-N 3.48Å; L915-Y918 PolarHBondContact O-N 3.08Å; L915-A919 VanDerWaalsContact O-CB 3.3Å; L915-A919 WeakPolarHBondContact O-CB 3.33Å; L915-A919 PolarHBondContact O-N 3.35Å; L915-L934 HydrophobicContact CD2-CD1 3.93Å; L915-L934 HydrophobicContact CD2-CD2 4.47Å; L915-L934 HydrophobicContact CD2-CG 4.37Å
916S68.4Low70.3Confident63 Ų6383.6 Ų83.644%0.44141%0.414SS..Hα-helixtrans-65.1-40.3177.571.40000112.9K912 S913 L914 A919 S920K912-S916 PolarHBondContact O-N 2.87Å; S913-S916 PolarHBondContact O-N 2.85Å; S913-S916 PolarHBondContact O-OG 2.92Å; L914-S916 VanDerWaalsContact C-N 3.3Å; L914-S916 PolarHBondContact O-N 2.81Å; S916-A919 PolarHBondContact O-N 3.44Å; S916-S920 PolarHBondContact O-N 2.59Å; S916-S920 PolarHBondContact O-OG 2.67Å
917K71Confident70.4Confident126 Ų12683.3 Ų83.355%0.54841%0.411SS..Hα-helixtrans-69.8-38.1176.3-70.2-177.8178.8-178.70112.5W896 S913 L914 S920 H921W896-K917 HydrophobicContact CH2-CB 4.25Å; S913-K917 PolarHBondContact O-N 2.79Å; L914-K917 PolarHBondContact O-N 3.21Å; K917-S920 WeakPolarHBondContact CA-OG 3.39Å; K917-S920 PolarHBondContact O-N 2.9Å; K917-S920 PolarHBondContact O-OG 2.82Å; K917-H921 PolarHBondContact O-N 2.05Å; K917-H921 VanDerWaalsContact O-N 3.14Å
918Y72.2Confident71Confident58 Ų5877.9 Ų77.923%0.22738%0.384CS..Hα-helixtrans-66.9-40.5175.4-176.9-124000111.4W896 L914 L915 H921 L922 L934W896-Y918 HydrophobicContact CB-CD2 3.96Å; W896-Y918 HydrophobicContact CB-CE2 3.88Å; W896-Y918 AromaticContact CD2-CD2 3.73Å; W896-Y918 HydrophobicContact CD2-CD2 3.73Å; W896-Y918 HydrophobicContact CD2-CE2 4.42Å; W896-Y918 HydrophobicContact CE3-CD2 4.07Å; W896-Y918 HydrophobicContact CE3-CG 4.41Å; W896-Y918 AromaticContact CG-CD2 3.66Å; W896-Y918 HydrophobicContact CG-CD2 3.66Å; W896-Y918 AromaticContact CG-CE2 3.87Å; W896-Y918 HydrophobicContact CG-CE2 3.87Å; L914-Y918 PolarHBondContact O-N 2.91Å; L915-Y918 PolarHBondContact O-N 3.08Å; Y918-H921 PolarHBondContact O-N 2.86Å; Y918-L922 HydrophobicContact CD1-CD1 4.13Å; Y918-L922 HydrophobicContact CE1-CD1 3.74Å; Y918-L922 HydrophobicContact CE1-CG 4.43Å; Y918-L922 HydrophobicContact CE2-CD2 4.49Å; Y918-L922 HydrophobicContact CE2-CG 4.35Å; Y918-L922 WeakPolarHBondContact O-CG 3.46Å; Y918-L922 PolarHBondContact O-N 2.96Å; Y918-L934 HydrophobicContact CD1-CD1 4.36Å; Y918-L934 HydrophobicContact CD1-CD2 3.63Å; Y918-L934 HydrophobicContact CE1-CD1 4.42Å; Y918-L934 HydrophobicContact CE1-CD2 4.15Å
919A67.6Low71.6Confident0 Ų081.1 Ų81.10%040%0.401CS..Hα-helixtrans-64.9-38.9175.700000112.7L915 S916 L922 L923 L934 Y935L915-A919 VanDerWaalsContact O-CB 3.3Å; L915-A919 WeakPolarHBondContact O-CB 3.33Å; L915-A919 PolarHBondContact O-N 3.35Å; S916-A919 PolarHBondContact O-N 3.44Å; A919-L922 PolarHBondContact O-N 3.05Å; A919-L923 VanDerWaalsContact O-CG 3.27Å; A919-L923 WeakPolarHBondContact O-CG 3.03Å; A919-L923 PolarHBondContact O-N 2.87Å; A919-L923 VanDerWaalsContact O-N 3.08Å; A919-L934 HydrophobicContact CB-CD2 4Å; A919-Y935 HydrophobicContact CB-CE1 3.93Å; A919-Y935 HydrophobicContact CB-CE2 3.82Å; A919-Y935 WeakPolarHBondContact CB-OH 3.22Å
920S74.8Confident72.3Confident54 Ų5475.8 Ų75.838%0.37838%0.38SS..Hα-helixtrans-63.7-39.7173.754.20000112.4S916 K917 L923 E924S916-S920 PolarHBondContact O-N 2.59Å; S916-S920 PolarHBondContact O-OG 2.67Å; K917-S920 WeakPolarHBondContact CA-OG 3.39Å; K917-S920 PolarHBondContact O-N 2.9Å; K917-S920 PolarHBondContact O-OG 2.82Å; S920-L923 WeakPolarHBondContact O-CB 3.46Å; S920-L923 PolarHBondContact O-N 2.89Å; S920-E924 PolarHBondContact O-N 2.92Å
921H75Confident73.1Confident49 Ų4970.8 Ų70.823%0.22736%0.357CS..Hα-helixtrans-62.6-44.9175-179.8-86.3000112.2K917 Y918 L923 E924 E925K917-H921 PolarHBondContact O-N 2.05Å; K917-H921 VanDerWaalsContact O-N 3.14Å; Y918-H921 PolarHBondContact O-N 2.86Å; H921-L923 PolarHBondContact O-N 3.08Å; H921-E924 WeakPolarHBondContact O-CB 3.32Å; H921-E924 PolarHBondContact O-N 3.21Å; H921-E924 VanDerWaalsContact O-N 3.11Å; H921-E925 VanDerWaalsContact CE1-CD 3.42Å; H921-E925 IonicContact CE1-OE1 3.03Å; H921-E925 PolarHBondContact CE1-OE1 3.45Å; H921-E925 VanDerWaalsContact CE1-OE1 3.26Å; H921-E925 IonicContact NE2-OE1 2.71Å; H921-E925 PolarHBondContact O-N 2.98Å
922L72.8Confident73.9Confident6 Ų668.5 Ų68.53%0.03135%0.345CS..Hα-helixtrans-60.6-32.1175.3-70.8173.3000112.3Y918 A919 K927 A931 L934Y918-L922 HydrophobicContact CD1-CD1 4.13Å; Y918-L922 HydrophobicContact CE1-CD1 3.74Å; Y918-L922 HydrophobicContact CE1-CG 4.43Å; Y918-L922 HydrophobicContact CE2-CD2 4.49Å; Y918-L922 HydrophobicContact CE2-CG 4.35Å; Y918-L922 WeakPolarHBondContact O-CG 3.46Å; Y918-L922 PolarHBondContact O-N 2.96Å; A919-L922 PolarHBondContact O-N 3.05Å; L922-K927 HydrophobicContact CD2-CB 4.42Å; L922-K927 HydrophobicContact CD2-CD 4.29Å; L922-K927 CarbonylContact O-C 3.46Å; L922-K927 WeakPolarHBondContact O-CA 3.21Å; L922-K927 PolarHBondContact O-N 3.31Å; L922-A931 HydrophobicContact CB-CB 4.08Å; L922-L934 HydrophobicContact CD1-CD2 4.19Å
923L77.7Confident74.7Confident52 Ų5264.2 Ų64.227%0.27233%0.328SS..Hα-helixtrans-72.4-37.3174.4-68.1172000112.5A919 S920 H921 N926 T928 A931 L947A919-L923 VanDerWaalsContact O-CG 3.27Å; A919-L923 WeakPolarHBondContact O-CG 3.03Å; A919-L923 PolarHBondContact O-N 2.87Å; A919-L923 VanDerWaalsContact O-N 3.08Å; S920-L923 WeakPolarHBondContact O-CB 3.46Å; S920-L923 PolarHBondContact O-N 2.89Å; H921-L923 PolarHBondContact O-N 3.08Å; L923-N926 PolarHBondContact O-N 3.37Å; L923-T928 HydrophobicContact CD2-CG2 4.05Å; L923-A931 HydrophobicContact CD2-CB 3.95Å; L923-A931 HydrophobicContact CG-CB 4.18Å; L923-L947 HydrophobicContact CD1-CD1 4.38Å; L923-L947 HydrophobicContact CD1-CD2 4.25Å; L923-L947 HydrophobicContact CD2-CD1 3.96Å; L923-L947 HydrophobicContact CD2-CD2 3.68Å; L923-L947 HydrophobicContact CD2-CG 4.48Å
924E76.6Confident75.3Confident152 Ų15263.2 Ų63.271%0.7132%0.318SS*.Hα-helixtrans-64-39.5173.1-73.3175-176.900112S920 H921 N926S920-E924 PolarHBondContact O-N 2.92Å; H921-E924 WeakPolarHBondContact O-CB 3.32Å; H921-E924 PolarHBondContact O-N 3.21Å; H921-E924 VanDerWaalsContact O-N 3.11Å; E924-N926 PolarHBondContact O-N 2.87Å; E924-N926 VanDerWaalsContact O-N 3.13Å
925E77.9Confident75.9Confident92 Ų9264 Ų6443%0.4332%0.319SS..THydrogen-bonded Turntrans-74.16.4174.9-69.8-162.715700114.2H921 K927H921-E925 VanDerWaalsContact CE1-CD 3.42Å; H921-E925 IonicContact CE1-OE1 3.03Å; H921-E925 PolarHBondContact CE1-OE1 3.45Å; H921-E925 VanDerWaalsContact CE1-OE1 3.26Å; H921-E925 IonicContact NE2-OE1 2.71Å; H921-E925 PolarHBondContact O-N 2.98Å; E925-K927 HydrophobicContact CB-CD 4.44Å; E925-K927 HydrophobicContact CB-CG 4.38Å; E925-K927 PolarHBondContact O-N 3.06Å; E925-K927 VanDerWaalsContact O-N 3.15Å; E925-K927 WeakPolarHBondContact OE2-CE 3.44Å; E925-K927 IonicContact OE2-NZ 3.13Å; E925-K927 PolarHBondContact OE2-NZ 3.37Å
926N73.4Confident76.5Confident124 Ų12467.4 Ų67.466%0.66333%0.328SS*.THydrogen-bonded Turntrans59.814-174.1-73.9-54.7000115.4L923 E924 T928L923-N926 PolarHBondContact O-N 3.37Å; E924-N926 PolarHBondContact O-N 2.87Å; E924-N926 VanDerWaalsContact O-N 3.13Å; N926-T928 PolarHBondContact O-N 3.27Å
927K79.1Confident76.8Confident89 Ų8971 Ų7139%0.38734%0.336SS..  trans-82.754.9175.3-66.1176.3-177157.90111.7L922 E925 L929 E930 A931L922-K927 HydrophobicContact CD2-CB 4.42Å; L922-K927 HydrophobicContact CD2-CD 4.29Å; L922-K927 CarbonylContact O-C 3.46Å; L922-K927 WeakPolarHBondContact O-CA 3.21Å; L922-K927 PolarHBondContact O-N 3.31Å; E925-K927 HydrophobicContact CB-CD 4.44Å; E925-K927 HydrophobicContact CB-CG 4.38Å; E925-K927 PolarHBondContact O-N 3.06Å; E925-K927 VanDerWaalsContact O-N 3.15Å; E925-K927 WeakPolarHBondContact OE2-CE 3.44Å; E925-K927 IonicContact OE2-NZ 3.13Å; E925-K927 PolarHBondContact OE2-NZ 3.37Å; K927-L929 VanDerWaalsContact C-N 3.29Å; K927-L929 PolarHBondContact O-N 2.61Å; K927-E930 HydrophobicContact CB-CB 4.33Å; K927-E930 HydrophobicContact CB-CG 4.47Å; K927-E930 PolarHBondContact O-N 2.93Å; K927-A931 PolarHBondContact O-N 3.33Å; K927-A931 VanDerWaalsContact O-N 3.16Å
928T81.2Confident76.7Confident36 Ų3666.9 Ų66.922%0.22133%0.326CS..Hα-helixtrans-59-34.5-174.151.60000114L923 N926 A931 V932L923-T928 HydrophobicContact CD2-CG2 4.05Å; N926-T928 PolarHBondContact O-N 3.27Å; T928-A931 PolarHBondContact O-N 3.44Å; T928-V932 VanDerWaalsContact O-CG2 3.27Å; T928-V932 WeakPolarHBondContact O-CG2 3.47Å; T928-V932 PolarHBondContact O-N 3.43Å
929L81.8Confident76.8Confident109 Ų10969.9 Ų69.957%0.57134%0.341SS*.Hα-helixtrans-72.1-36.5179-65.6174.1000112.9K927 A931 V932 E933 M948K927-L929 VanDerWaalsContact C-N 3.29Å; K927-L929 PolarHBondContact O-N 2.61Å; L929-A931 VanDerWaalsContact C-N 3.34Å; L929-V932 PolarHBondContact O-N 3Å; L929-E933 PolarHBondContact O-N 3.26Å; L929-M948 HydrophobicContact CD2-SD 4.02Å
930E78.8Confident77.3Confident98 Ų9874.2 Ų74.246%0.45836%0.362SS..Hα-helixtrans-67.5-38.6174.7-66.9177.3-155.600110.6K927 E933 L934K927-E930 HydrophobicContact CB-CB 4.33Å; K927-E930 HydrophobicContact CB-CG 4.47Å; K927-E930 PolarHBondContact O-N 2.93Å; E930-E933 PolarHBondContact O-N 3Å; E930-L934 WeakPolarHBondContact O-CB 3.29Å; E930-L934 PolarHBondContact O-N 2.58Å
931A79.3Confident77.5Confident0 Ų073 Ų730%035%0.349CS..Hα-helixtrans-62.1-42.5172.100000111.7L922 L923 K927 T928 L929 E933 L934 Y935L922-A931 HydrophobicContact CB-CB 4.08Å; L923-A931 HydrophobicContact CD2-CB 3.95Å; L923-A931 HydrophobicContact CG-CB 4.18Å; K927-A931 PolarHBondContact O-N 3.33Å; K927-A931 VanDerWaalsContact O-N 3.16Å; T928-A931 PolarHBondContact O-N 3.44Å; L929-A931 VanDerWaalsContact C-N 3.34Å; A931-E933 VanDerWaalsContact C-N 3.34Å; A931-E933 PolarHBondContact O-N 3.16Å; A931-L934 WeakPolarHBondContact O-CB 3.34Å; A931-L934 PolarHBondContact O-N 3.27Å; A931-Y935 WeakPolarHBondContact O-CD2 3.36Å; A931-Y935 PolarHBondContact O-N 2.89Å
932V80.8Confident77.9Confident15 Ų1572.3 Ų72.39%0.09135%0.347CS..Hα-helixtrans-61.1-42174.2167.40000111.2T928 L929 Y935 R936 A944 L947 M948 L975T928-V932 VanDerWaalsContact O-CG2 3.27Å; T928-V932 WeakPolarHBondContact O-CG2 3.47Å; T928-V932 PolarHBondContact O-N 3.43Å; L929-V932 PolarHBondContact O-N 3Å; V932-Y935 PolarHBondContact O-N 3.14Å; V932-R936 WeakPolarHBondContact O-CB 3.45Å; V932-R936 PolarHBondContact O-N 2.74Å; V932-A944 HydrophobicContact CG1-CB 4.23Å; V932-L947 HydrophobicContact CG2-CB 3.75Å; V932-L947 HydrophobicContact CG2-CD1 4.3Å; V932-M948 HydrophobicContact CG1-CG 3.77Å; V932-M948 HydrophobicContact CG1-SD 4.02Å; V932-M948 HydrophobicContact CG2-CG 3.93Å; V932-M948 HydrophobicContact CG2-SD 4.11Å; V932-L975 HydrophobicContact CG1-CD1 4.46Å
933E80.2Confident78.2Confident86 Ų8675 Ų7540%0.40236%0.362SS..Hα-helixtrans-66.1-40177.2-166.4-175.6164.400112.1L929 E930 A931 R936 K937L929-E933 PolarHBondContact O-N 3.26Å; E930-E933 PolarHBondContact O-N 3Å; A931-E933 VanDerWaalsContact C-N 3.34Å; A931-E933 PolarHBondContact O-N 3.16Å; E933-R936 PolarHBondContact O-N 3.07Å; E933-K937 HydrophobicContact CG-CD 4.49Å; E933-K937 WeakPolarHBondContact O-CB 3.49Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.41Å; E933-K937 WeakPolarHBondContact OE1-CE 3.33Å; E933-K937 IonicContact OE1-NZ 3.44Å; E933-K937 PolarHBondContact OE1-NZ 2.98Å
934L78.4Confident78.4Confident37 Ų3772.5 Ų72.519%0.19435%0.349CS..Hα-helixtrans-60.2-49174.4-17673.7000111.1L915 Y918 A919 L922 E930 A931 R936 K937 A938L915-L934 HydrophobicContact CD2-CD1 3.93Å; L915-L934 HydrophobicContact CD2-CD2 4.47Å; L915-L934 HydrophobicContact CD2-CG 4.37Å; Y918-L934 HydrophobicContact CD1-CD1 4.36Å; Y918-L934 HydrophobicContact CD1-CD2 3.63Å; Y918-L934 HydrophobicContact CE1-CD1 4.42Å; Y918-L934 HydrophobicContact CE1-CD2 4.15Å; A919-L934 HydrophobicContact CB-CD2 4Å; L922-L934 HydrophobicContact CD1-CD2 4.19Å; E930-L934 WeakPolarHBondContact O-CB 3.29Å; E930-L934 PolarHBondContact O-N 2.58Å; A931-L934 WeakPolarHBondContact O-CB 3.34Å; A931-L934 PolarHBondContact O-N 3.27Å; L934-R936 VanDerWaalsContact C-N 3.34Å; L934-R936 PolarHBondContact O-N 2.75Å; L934-K937 PolarHBondContact O-N 2.79Å; L934-A938 WeakPolarHBondContact O-CB 3.35Å; L934-A938 PolarHBondContact O-N 2.85Å
935Y80.3Confident78.8Confident43 Ų4365.3 Ų65.317%0.16932%0.315CS..Hα-helixtrans-63.3-38.6177.6-75.5-56000112.3A919 A931 V932 A938 H939 H940 D943 L947A919-Y935 HydrophobicContact CB-CE1 3.93Å; A919-Y935 HydrophobicContact CB-CE2 3.82Å; A919-Y935 WeakPolarHBondContact CB-OH 3.22Å; A931-Y935 WeakPolarHBondContact O-CD2 3.36Å; A931-Y935 PolarHBondContact O-N 2.89Å; V932-Y935 PolarHBondContact O-N 3.14Å; Y935-A938 CarbonylContact O-C 3.6Å; Y935-A938 PolarHBondContact O-N 3.19Å; Y935-H939 PolarHBondContact O-N 3.39Å; Y935-H939 VanDerWaalsContact O-N 3.16Å; Y935-H940 HydrophobicContact CD1-CB 4.03Å; Y935-H940 PolarHBondContact O-N 2.91Å; Y935-D943 HydrophobicContact CD1-CB 4.46Å; Y935-D943 HydrophobicContact CG-CB 4.48Å; Y935-L947 HydrophobicContact CD2-CD1 3.8Å; Y935-L947 HydrophobicContact CE2-CD1 3.67Å
936R79.1Confident79.1Confident127 Ų12763.7 Ų63.748%0.47931%0.307SS..Hα-helixtrans-62.7-46.3173.7-170.5-175.669.3116.6-1111.9V932 E933 L934 A938 H939 F941 L975V932-R936 WeakPolarHBondContact O-CB 3.45Å; V932-R936 PolarHBondContact O-N 2.74Å; E933-R936 PolarHBondContact O-N 3.07Å; L934-R936 VanDerWaalsContact C-N 3.34Å; L934-R936 PolarHBondContact O-N 2.75Å; R936-A938 PolarHBondContact O-N 2.79Å; R936-H939 PolarHBondContact O-N 2.95Å; R936-H939 VanDerWaalsContact O-N 3.09Å; R936-F941 HydrophobicContact CG-CD1 4.39Å; R936-F941 HydrophobicContact CG-CE1 4.04Å; R936-L975 HydrophobicContact CG-CD2 4.47Å
937K74.9Confident79.7Confident137 Ų13759 Ų5960%0.59628%0.282SS*.Hα-helixtrans-64-29.8175.7-75.5177.3-177.1163.60112.3E933 L934 H939E933-K937 HydrophobicContact CG-CD 4.49Å; E933-K937 WeakPolarHBondContact O-CB 3.49Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.41Å; E933-K937 WeakPolarHBondContact OE1-CE 3.33Å; E933-K937 IonicContact OE1-NZ 3.44Å; E933-K937 PolarHBondContact OE1-NZ 2.98Å; L934-K937 PolarHBondContact O-N 2.79Å; K937-H939 VanDerWaalsContact C-N 3.29Å
938A69.7Low80.1Confident40 Ų4055.2 Ų55.233%0.33127%0.266SS..THydrogen-bonded Turntrans-84.34175.500000113.9L934 Y935 R936 H940L934-A938 WeakPolarHBondContact O-CB 3.35Å; L934-A938 PolarHBondContact O-N 2.85Å; Y935-A938 CarbonylContact O-C 3.6Å; Y935-A938 PolarHBondContact O-N 3.19Å; R936-A938 PolarHBondContact O-N 2.79Å; A938-H940 VanDerWaalsContact C-N 3.29Å; A938-H940 PolarHBondContact O-N 2.95Å
939H72.6Confident80.4Confident121 Ų12154.9 Ų54.956%0.5626%0.261SS*.THydrogen-bonded Turntrans60.728.2-177-57.6-71.8000115.2Y935 R936 K937 F941Y935-H939 PolarHBondContact O-N 3.39Å; Y935-H939 VanDerWaalsContact O-N 3.16Å; R936-H939 PolarHBondContact O-N 2.95Å; R936-H939 VanDerWaalsContact O-N 3.09Å; K937-H939 VanDerWaalsContact C-N 3.29Å; H939-F941 HydrophobicContact CB-CE2 4.3Å; H939-F941 AromaticContact ND1-CZ 3.88Å
940H78.9Confident80.6Confident92 Ų9255.9 Ų55.943%0.42626%0.261SS..  trans-98.871.9172.1-88.8-118.1000110.4Y935 A938 D943 A944Y935-H940 HydrophobicContact CD1-CB 4.03Å; Y935-H940 PolarHBondContact O-N 2.91Å; A938-H940 VanDerWaalsContact C-N 3.29Å; A938-H940 PolarHBondContact O-N 2.95Å; H940-D943 IonicContact CE1-OD2 3.88Å; H940-D943 IonicContact CG-OD2 3.1Å; H940-D943 IonicContact ND1-OD2 3.07Å; H940-D943 PolarHBondContact ND1-OD2 2.66Å; H940-A944 PolarHBondContact O-N 3.33Å
941F79.9Confident81Confident27 Ų2752.5 Ų52.512%0.11825%0.247CC..Hα-helixtrans-70-34.9-172.8-60-72.1000114.1R936 H939 A944 A945 L975 D978 Q982R936-F941 HydrophobicContact CG-CD1 4.39Å; R936-F941 HydrophobicContact CG-CE1 4.04Å; H939-F941 HydrophobicContact CB-CE2 4.3Å; H939-F941 AromaticContact ND1-CZ 3.88Å; F941-A944 PolarHBondContact O-N 2.91Å; F941-A945 WeakPolarHBondContact O-CB 2.99Å; F941-A945 PolarHBondContact O-N 2.9Å; F941-L975 WeakPolarHBondContact CB-O 3.38Å; F941-L975 HydrophobicContact CD1-CD2 4.25Å; F941-D978 HydrophobicContact CD1-CB 3.95Å; F941-D978 HydrophobicContact CE1-CB 4.14Å; F941-D978 HydrophobicContact CG-CB 4.17Å; F941-Q982 HydrophobicContact CE2-CB 4.42Å
942L81.8Confident81.3Confident35 Ų3552.5 Ų52.518%0.18325%0.247CC..Hα-helixtrans-65.8-42.9178-75.6177000112.9A944 A945 K946 Y979 V1018L942-A944 VanDerWaalsContact C-N 3.33Å; L942-A945 PolarHBondContact O-N 3.01Å; L942-K946 WeakPolarHBondContact O-CG 3.49Å; L942-K946 PolarHBondContact O-N 3.45Å; L942-Y979 HydrophobicContact CD1-CD1 4.13Å; L942-Y979 HydrophobicContact CD1-CD2 3.97Å; L942-Y979 HydrophobicContact CD1-CE1 3.75Å; L942-Y979 HydrophobicContact CD1-CE2 3.55Å; L942-Y979 HydrophobicContact CD1-CG 4.23Å; L942-Y979 VanDerWaalsContact CD1-CZ 3.43Å; L942-Y979 HydrophobicContact CD2-CD1 3.73Å; L942-Y979 HydrophobicContact CD2-CD2 4.41Å; L942-Y979 HydrophobicContact CD2-CE1 4.07Å; L942-Y979 HydrophobicContact CD2-CG 3.92Å; L942-Y979 HydrophobicContact CG-CD1 3.89Å; L942-Y979 HydrophobicContact CG-CD2 3.69Å; L942-Y979 HydrophobicContact CG-CE1 4.04Å; L942-Y979 HydrophobicContact CG-CE2 3.84Å; L942-Y979 HydrophobicContact CG-CG 3.7Å; L942-V1018 HydrophobicContact CD2-CG2 4.23Å
943D79.7Confident81.4Confident63 Ų6355.3 Ų55.334%0.33726%0.261SS..Hα-helixtrans-66.3-39.5178.2-63.8-41.2000110.9Y935 H940 L947Y935-D943 HydrophobicContact CD1-CB 4.46Å; Y935-D943 HydrophobicContact CG-CB 4.48Å; H940-D943 IonicContact CE1-OD2 3.88Å; H940-D943 IonicContact CG-OD2 3.1Å; H940-D943 IonicContact ND1-OD2 3.07Å; H940-D943 PolarHBondContact ND1-OD2 2.66Å; D943-L947 WeakPolarHBondContact O-CG 3.17Å; D943-L947 PolarHBondContact O-N 3.2Å; D943-L947 VanDerWaalsContact O-N 3.16Å
944A81.9Confident81.7Confident0 Ų057.3 Ų57.30%027%0.269CS..Hα-helixtrans-61.5-44.117200000111.9V932 H940 F941 L942 L947 M948 L975V932-A944 HydrophobicContact CG1-CB 4.23Å; H940-A944 PolarHBondContact O-N 3.33Å; F941-A944 PolarHBondContact O-N 2.91Å; L942-A944 VanDerWaalsContact C-N 3.33Å; A944-L947 PolarHBondContact O-N 3.39Å; A944-M948 WeakPolarHBondContact O-CB 3.46Å; A944-M948 WeakPolarHBondContact O-CG 3.37Å; A944-M948 PolarHBondContact O-N 3.02Å; A944-L975 HydrophobicContact CB-CD1 4.03Å
945A84.3Confident81.9Confident1 Ų157 Ų571%0.00827%0.266CS..Hα-helixtrans-63.2-45.717800000112F941 L942 L947 M948 F949 L975 V976F941-A945 WeakPolarHBondContact O-CB 2.99Å; F941-A945 PolarHBondContact O-N 2.9Å; L942-A945 PolarHBondContact O-N 3.01Å; A945-L947 VanDerWaalsContact C-N 3.31Å; A945-L947 PolarHBondContact O-N 3.28Å; A945-M948 PolarHBondContact O-N 3.08Å; A945-M948 VanDerWaalsContact O-N 3.1Å; A945-F949 HydrophobicContact CB-CE2 4.38Å; A945-F949 WeakPolarHBondContact O-CD2 3.41Å; A945-F949 PolarHBondContact O-N 2.81Å; A945-L975 HydrophobicContact CB-CB 3.88Å; A945-V976 HydrophobicContact CB-CG2 3.78Å
946K84.9Confident82Confident58 Ų5855.7 Ų55.725%0.25226%0.264SS..Hα-helixtrans-56.9-43.2176.2-74.6173.7-177.8175.60112L942 K950 D1014 I1017L942-K946 WeakPolarHBondContact O-CG 3.49Å; L942-K946 PolarHBondContact O-N 3.45Å; K946-K950 WeakPolarHBondContact O-CG 2.87Å; K946-K950 PolarHBondContact O-N 2.94Å; K946-K950 VanDerWaalsContact O-N 3.16Å; K946-D1014 WeakPolarHBondContact CE-OD1 3.48Å; K946-D1014 IonicContact NZ-OD1 2.74Å; K946-D1014 PolarHBondContact NZ-OD1 3.11Å; K946-D1014 IonicContact NZ-OD2 2.59Å; K946-D1014 PolarHBondContact NZ-OD2 2.63Å; K946-I1017 HydrophobicContact CG-CD1 4.09Å
947L85.6Confident82.1Confident26 Ų2658.2 Ų58.214%0.13628%0.279CS..Hα-helixtrans-66.5-41.3176-72.7172.3000111.7L923 V932 Y935 D943 A944 A945 K950 V951L923-L947 HydrophobicContact CD1-CD1 4.38Å; L923-L947 HydrophobicContact CD1-CD2 4.25Å; L923-L947 HydrophobicContact CD2-CD1 3.96Å; L923-L947 HydrophobicContact CD2-CD2 3.68Å; L923-L947 HydrophobicContact CD2-CG 4.48Å; V932-L947 HydrophobicContact CG2-CB 3.75Å; V932-L947 HydrophobicContact CG2-CD1 4.3Å; Y935-L947 HydrophobicContact CD2-CD1 3.8Å; Y935-L947 HydrophobicContact CE2-CD1 3.67Å; D943-L947 WeakPolarHBondContact O-CG 3.17Å; D943-L947 PolarHBondContact O-N 3.2Å; D943-L947 VanDerWaalsContact O-N 3.16Å; A944-L947 PolarHBondContact O-N 3.39Å; A945-L947 VanDerWaalsContact C-N 3.31Å; A945-L947 PolarHBondContact O-N 3.28Å; L947-K950 PolarHBondContact O-N 3.29Å; L947-V951 WeakPolarHBondContact O-CG2 3.38Å; L947-V951 PolarHBondContact O-N 3.46Å
948M87.1Confident82.2Confident9 Ų958.7 Ų58.74%0.04428%0.281CS..Hα-helixtrans-64.8-39.8176.8-76.9-62.8-64.700113.1L929 V932 A944 A945 V951 A952 L968 L971 A972 L975L929-M948 HydrophobicContact CD2-SD 4.02Å; V932-M948 HydrophobicContact CG1-CG 3.77Å; V932-M948 HydrophobicContact CG1-SD 4.02Å; V932-M948 HydrophobicContact CG2-CG 3.93Å; V932-M948 HydrophobicContact CG2-SD 4.11Å; A944-M948 WeakPolarHBondContact O-CB 3.46Å; A944-M948 WeakPolarHBondContact O-CG 3.37Å; A944-M948 PolarHBondContact O-N 3.02Å; A945-M948 PolarHBondContact O-N 3.08Å; A945-M948 VanDerWaalsContact O-N 3.1Å; M948-V951 PolarHBondContact O-N 3.46Å; M948-A952 PolarHBondContact O-N 2.82Å; M948-L968 HydrophobicContact CE-CD2 3.98Å; M948-L971 HydrophobicContact CE-CB 3.86Å; M948-L971 HydrophobicContact CE-CD1 4.12Å; M948-A972 HydrophobicContact CB-CB 3.78Å; M948-L975 HydrophobicContact CB-CD1 4.39Å; M948-L975 HydrophobicContact CG-CD1 3.83Å
949F87.8Confident82Confident29 Ų2963 Ų6313%0.12730%0.296CS..Hα-helixtrans-61.4-44172.6-77.3-62000111.7A945 V951 A952 D953 Y969 A972 V976 I1017 A1021A945-F949 HydrophobicContact CB-CE2 4.38Å; A945-F949 WeakPolarHBondContact O-CD2 3.41Å; A945-F949 PolarHBondContact O-N 2.81Å; F949-V951 VanDerWaalsContact C-N 3.28Å; F949-V951 PolarHBondContact O-N 3.07Å; F949-A952 WeakPolarHBondContact O-CB 3.39Å; F949-A952 PolarHBondContact O-N 3.34Å; F949-A952 VanDerWaalsContact O-N 3.09Å; F949-D953 VanDerWaalsContact O-CG 3.3Å; F949-D953 PolarHBondContact O-N 3.3Å; F949-Y969 AromaticContact CD1-CD1 3.77Å; F949-Y969 HydrophobicContact CD1-CD1 3.77Å; F949-Y969 HydrophobicContact CD1-CE1 4.05Å; F949-Y969 AromaticContact CE1-CD1 3.99Å; F949-Y969 HydrophobicContact CE1-CD1 3.99Å; F949-A972 HydrophobicContact CD1-CB 3.62Å; F949-A972 HydrophobicContact CD2-CB 3.92Å; F949-A972 HydrophobicContact CE1-CB 3.53Å; F949-A972 HydrophobicContact CE2-CB 3.84Å; F949-A972 HydrophobicContact CG-CB 3.8Å; F949-A972 HydrophobicContact CZ-CB 3.64Å; F949-V976 HydrophobicContact CE2-CG2 4.08Å; F949-I1017 HydrophobicContact CD2-CG2 3.79Å; F949-I1017 HydrophobicContact CE2-CG2 3.61Å; F949-A1021 HydrophobicContact CZ-CB 4.34Å
950K86.4Confident81.8Confident130 Ų13058.7 Ų58.757%0.56528%0.279SS*.Hα-helixtrans-60.1-37.3174.4-73.5177.3-179.91790112.6K946 L947 K954K946-K950 WeakPolarHBondContact O-CG 2.87Å; K946-K950 PolarHBondContact O-N 2.94Å; K946-K950 VanDerWaalsContact O-N 3.16Å; L947-K950 PolarHBondContact O-N 3.29Å; K950-K954 WeakPolarHBondContact O-CB 3.43Å; K950-K954 VanDerWaalsContact O-CG 3.31Å; K950-K954 WeakPolarHBondContact O-CG 3.5Å; K950-K954 PolarHBondContact O-N 2.93Å
951V86.5Confident81.9Confident27 Ų2764.6 Ų64.616%0.16430%0.297CS..Hα-helixtrans-67.3-41.7175.1172.20000110.5L947 M948 F949 K954 E955 L968L947-V951 WeakPolarHBondContact O-CG2 3.38Å; L947-V951 PolarHBondContact O-N 3.46Å; M948-V951 PolarHBondContact O-N 3.46Å; F949-V951 VanDerWaalsContact C-N 3.28Å; F949-V951 PolarHBondContact O-N 3.07Å; V951-K954 PolarHBondContact O-N 3.44Å; V951-E955 PolarHBondContact O-N 2.88Å; V951-L968 HydrophobicContact CG1-CD1 4.37Å; V951-L968 HydrophobicContact CG1-CD2 4.48Å
952A85.3Confident82Confident0 Ų065.2 Ų65.20%030%0.304CS..Hα-helixtrans-61.7-46.4175.700000112M948 F949 K954 E955 A956 L968 Y969M948-A952 PolarHBondContact O-N 2.82Å; F949-A952 WeakPolarHBondContact O-CB 3.39Å; F949-A952 PolarHBondContact O-N 3.34Å; F949-A952 VanDerWaalsContact O-N 3.09Å; A952-K954 PolarHBondContact O-N 3.36Å; A952-E955 PolarHBondContact O-N 3.43Å; A952-A956 WeakPolarHBondContact O-CB 3.25Å; A952-A956 PolarHBondContact O-N 3.13Å; A952-L968 HydrophobicContact CB-CB 3.79Å; A952-Y969 HydrophobicContact CB-CD1 3.76Å; A952-Y969 HydrophobicContact CB-CD2 4.07Å; A952-Y969 HydrophobicContact CB-CE1 3.63Å; A952-Y969 HydrophobicContact CB-CE2 3.97Å; A952-Y969 HydrophobicContact CB-CG 3.96Å
953D84.4Confident82.3Confident73 Ų7367 Ų6739%0.3931%0.314SS..Hα-helixtrans-64-39.7178-64.4-21.9000112.3F949 E955 A956 K957 Y969F949-D953 VanDerWaalsContact O-CG 3.3Å; F949-D953 PolarHBondContact O-N 3.3Å; D953-E955 VanDerWaalsContact C-N 3.34Å; D953-A956 PolarHBondContact O-N 3Å; D953-K957 WeakPolarHBondContact O-CG 3.17Å; D953-K957 PolarHBondContact O-N 3.3Å; D953-Y969 PolarHBondContact OD1-OH 3.25Å
954K85.3Confident82.6Confident129 Ų12971 Ų7156%0.56132%0.324SS*.Hα-helixtrans-64.1-39.1175-79.9-178.7179.4-176.40111.8K950 V951 A952 K958K950-K954 WeakPolarHBondContact O-CB 3.43Å; K950-K954 VanDerWaalsContact O-CG 3.31Å; K950-K954 WeakPolarHBondContact O-CG 3.5Å; K950-K954 PolarHBondContact O-N 2.93Å; V951-K954 PolarHBondContact O-N 3.44Å; A952-K954 PolarHBondContact O-N 3.36Å; K954-K958 WeakPolarHBondContact O-CG 3.3Å
955E84.1Confident82.8Confident30 Ų3071 Ų7114%0.1432%0.324CS..Hα-helixtrans-70.7-38.9175.6-83.8-71.215000112.1V951 A952 D953 K957 K958 S960 R964 V965 L968V951-E955 PolarHBondContact O-N 2.88Å; A952-E955 PolarHBondContact O-N 3.43Å; D953-E955 VanDerWaalsContact C-N 3.34Å; E955-K957 VanDerWaalsContact C-N 3.35Å; E955-K957 PolarHBondContact O-N 3.33Å; E955-K958 PolarHBondContact O-N 3.33Å; E955-K958 VanDerWaalsContact O-N 3.13Å; E955-S960 PolarHBondContact O-OG 3.06Å; E955-S960 VanDerWaalsContact OE2-CB 3.24Å; E955-S960 WeakPolarHBondContact OE2-CB 3.33Å; E955-S960 PolarHBondContact OE2-OG 2.85Å; E955-R964 IonicContact OE2-NE 2.74Å; E955-V965 HydrophobicContact CB-CG2 4.38Å; E955-L968 HydrophobicContact CB-CD1 3.97Å; E955-L968 HydrophobicContact CG-CD1 3.8Å
956A81.6Confident83Confident15 Ų1571.5 Ų71.512%0.12433%0.326CS..Hα-helixtrans-57.1-46.317400000111.7A952 D953 K958 M959 V965 Y1028A952-A956 WeakPolarHBondContact O-CB 3.25Å; A952-A956 PolarHBondContact O-N 3.13Å; D953-A956 PolarHBondContact O-N 3Å; A956-K958 PolarHBondContact O-N 3.32Å; A956-M959 PolarHBondContact O-N 2.77Å; A956-V965 HydrophobicContact CB-CG1 3.95Å; A956-Y1028 WeakPolarHBondContact CB-OH 3.38Å
957K80.8Confident83.2Confident181 Ų18174.8 Ų74.879%0.78734%0.34SS*.Hα-helixtrans-63.3-23.2177.5-72.7178.6-178.6-177.60114.4D953 E955 M959D953-K957 WeakPolarHBondContact O-CG 3.17Å; D953-K957 PolarHBondContact O-N 3.3Å; E955-K957 VanDerWaalsContact C-N 3.35Å; E955-K957 PolarHBondContact O-N 3.33Å; K957-M959 PolarHBondContact O-N 2.89Å
958K78.4Confident83.3Confident147 Ų14774.6 Ų74.664%0.63934%0.339SS*.THydrogen-bonded Turntrans-811.8178.9-71.4176.3-177-1800113.3K954 E955 A956 S960K954-K958 WeakPolarHBondContact O-CG 3.3Å; E955-K958 PolarHBondContact O-N 3.33Å; E955-K958 VanDerWaalsContact O-N 3.13Å; A956-K958 PolarHBondContact O-N 3.32Å; K958-S960 PolarHBondContact O-N 3.3Å
959M64.6Low83.4Confident131 Ų13174.7 Ų74.765%0.64534%0.339SS*.THydrogen-bonded Turntrans53.135.6-172.6-53.6-62.5-12500112.3A956 K957 E1064A956-M959 PolarHBondContact O-N 2.77Å; K957-M959 PolarHBondContact O-N 2.89Å; M959-E1064 WeakPolarHBondContact CE-OE1 3.22Å
960S67.6Low83.5Confident30 Ų3073.8 Ų73.821%0.2134%0.336CS..  trans-73.3168.7179.178.80000111.2E955 K958 P962E955-S960 PolarHBondContact O-OG 3.06Å; E955-S960 VanDerWaalsContact OE2-CB 3.24Å; E955-S960 WeakPolarHBondContact OE2-CB 3.33Å; E955-S960 PolarHBondContact OE2-OG 2.85Å; K958-S960 PolarHBondContact O-N 3.3Å; S960-P962 WeakPolarHBondContact O-CD 3.23Å; S960-P962 VanDerWaalsContact O-N 3.1Å
961R80.9Confident83.6Confident215 Ų21571.5 Ų71.581%0.81133%0.33SS*.  trans-50.3120.4-175.2-68.5-178.8-179.2171.40.2110.6L963 R964R961-L963 PolarHBondContact O-N 2.71Å; R961-R964 WeakPolarHBondContact O-CB 3.4Å; R961-R964 PolarHBondContact O-N 3.03Å
962P83.8Confident83.7Confident40 Ų4070.2 Ų70.226%0.2632%0.322SS..Hα-helixtrans-55.6-27.7-173.2-28.733.9000114.5S960 R964 V965 K966 Y1028 F1031 L1032S960-P962 WeakPolarHBondContact O-CD 3.23Å; S960-P962 VanDerWaalsContact O-N 3.1Å; P962-R964 PolarHBondContact O-N 2.77Å; P962-V965 PolarHBondContact O-N 2.81Å; P962-K966 PolarHBondContact O-N 2.65Å; P962-Y1028 HydrophobicContact CB-CD1 4.02Å; P962-Y1028 HydrophobicContact CB-CE1 4.45Å; P962-F1031 HydrophobicContact CB-CD1 4.47Å; P962-F1031 HydrophobicContact CG-CE1 4.29Å; P962-L1032 HydrophobicContact CB-CD1 4.46Å; P962-L1032 HydrophobicContact CB-CD2 3.88Å; P962-L1032 HydrophobicContact CB-CG 4.13Å
963L86.1Confident83.7Confident73 Ų7370.2 Ų70.238%0.38232%0.322SS..Hα-helixtrans-64.5-35.9174.6-174.466.8000113.5R961 K967 L1032R961-L963 PolarHBondContact O-N 2.71Å; L963-K967 WeakPolarHBondContact O-CG 3.36Å; L963-K967 PolarHBondContact O-N 3.06Å; L963-K967 VanDerWaalsContact O-N 3.1Å; L963-L1032 HydrophobicContact CB-CD1 4.38Å; L963-L1032 HydrophobicContact CD1-CD1 4.25Å
964R86.3Confident83.8Confident147 Ų14770.2 Ų70.256%0.55532%0.32SS*.Hα-helixtrans-69.2-43.4177.3-179.9176.5177.4152.7-2.4110.3E955 R961 P962 K967 L968E955-R964 IonicContact OE2-NE 2.74Å; R961-R964 WeakPolarHBondContact O-CB 3.4Å; R961-R964 PolarHBondContact O-N 3.03Å; P962-R964 PolarHBondContact O-N 2.77Å; R964-K967 PolarHBondContact O-N 2.95Å; R964-L968 HydrophobicContact CG-CD1 4.43Å; R964-L968 WeakPolarHBondContact O-CG 3.29Å; R964-L968 PolarHBondContact O-N 2.92Å
965V87.4Confident83.8Confident1 Ų164.9 Ų64.91%0.00630%0.297CS..Hα-helixtrans-60.3-47.2176.4-1790000110.4E955 A956 P962 K967 L968 Y969 Y1028E955-V965 HydrophobicContact CB-CG2 4.38Å; A956-V965 HydrophobicContact CB-CG1 3.95Å; P962-V965 PolarHBondContact O-N 2.81Å; V965-K967 VanDerWaalsContact C-N 3.34Å; V965-K967 PolarHBondContact O-N 3.22Å; V965-L968 PolarHBondContact O-N 3.37Å; V965-L968 VanDerWaalsContact O-N 3.16Å; V965-Y969 HydrophobicContact CG1-CD2 3.76Å; V965-Y969 HydrophobicContact CG1-CE2 3.45Å; V965-Y969 VanDerWaalsContact CG1-CE2 3.45Å; V965-Y969 VanDerWaalsContact O-CD2 3.31Å; V965-Y969 WeakPolarHBondContact O-CD2 3.11Å; V965-Y969 PolarHBondContact O-N 2.95Å; V965-Y969 VanDerWaalsContact O-N 3.08Å; V965-Y1028 HydrophobicContact CB-CD1 4.43Å; V965-Y1028 HydrophobicContact CB-CE1 4.32Å; V965-Y1028 HydrophobicContact CG1-CD1 4.31Å; V965-Y1028 HydrophobicContact CG1-CD2 3.78Å; V965-Y1028 HydrophobicContact CG1-CE1 4.04Å; V965-Y1028 HydrophobicContact CG1-CE2 3.5Å; V965-Y1028 VanDerWaalsContact CG1-CE2 3.5Å; V965-Y1028 HydrophobicContact CG1-CG 4.19Å
966K88.4Confident83.9Confident11 Ų1163.4 Ų63.45%0.04829%0.29CS..Hα-helixtrans-53.2-48.6172.2-175-170.3173.5-156.30112P962 L968 Y969 V970 H1029 L1032 P1172 L1173 H1175P962-K966 PolarHBondContact O-N 2.65Å; K966-L968 VanDerWaalsContact C-N 3.31Å; K966-L968 PolarHBondContact O-N 2.9Å; K966-Y969 PolarHBondContact O-N 3.04Å; K966-V970 HydrophobicContact CG-CG2 4.38Å; K966-V970 VanDerWaalsContact O-CG2 3.29Å; K966-V970 WeakPolarHBondContact O-CG2 3.42Å; K966-V970 PolarHBondContact O-N 3.21Å; K966-H1029 HydrophobicContact CD-CB 4.37Å; K966-H1029 PolarHBondContact NZ-ND1 2.84Å; K966-L1032 HydrophobicContact CD-CD1 4.35Å; K966-P1172 PolarHBondContact NZ-O 2.84Å; K966-L1173 WeakPolarHBondContact CE-O 3.42Å; K966-L1173 PolarHBondContact NZ-O 2.9Å; K966-H1175 PolarHBondContact NZ-NE2 3.13Å
967K88.6Confident84Confident126 Ų12664.2 Ų64.255%0.54829%0.291SS..Hα-helixtrans-60.2-39.1-179.9-75.5-179.2178.3-169.40112.7L963 R964 V965 V970 L971L963-K967 WeakPolarHBondContact O-CG 3.36Å; L963-K967 PolarHBondContact O-N 3.06Å; L963-K967 VanDerWaalsContact O-N 3.1Å; R964-K967 PolarHBondContact O-N 2.95Å; V965-K967 VanDerWaalsContact C-N 3.34Å; V965-K967 PolarHBondContact O-N 3.22Å; K967-V970 PolarHBondContact O-N 3.15Å; K967-L971 WeakPolarHBondContact O-CG 3.44Å; K967-L971 PolarHBondContact O-N 2.81Å
968L88.4Confident84Confident22 Ų2258.7 Ų58.712%0.11527%0.27CS..Hα-helixtrans-67.6-42.7178.5-68.4169.6000111.9M948 V951 A952 E955 R964 V965 K966 V970 L971 A972M948-L968 HydrophobicContact CE-CD2 3.98Å; V951-L968 HydrophobicContact CG1-CD1 4.37Å; V951-L968 HydrophobicContact CG1-CD2 4.48Å; A952-L968 HydrophobicContact CB-CB 3.79Å; E955-L968 HydrophobicContact CB-CD1 3.97Å; E955-L968 HydrophobicContact CG-CD1 3.8Å; R964-L968 HydrophobicContact CG-CD1 4.43Å; R964-L968 WeakPolarHBondContact O-CG 3.29Å; R964-L968 PolarHBondContact O-N 2.92Å; V965-L968 PolarHBondContact O-N 3.37Å; V965-L968 VanDerWaalsContact O-N 3.16Å; K966-L968 VanDerWaalsContact C-N 3.31Å; K966-L968 PolarHBondContact O-N 2.9Å; L968-V970 VanDerWaalsContact C-N 3.35Å; L968-L971 PolarHBondContact O-N 3.08Å; L968-A972 PolarHBondContact O-N 3.27Å
969Y89.6Confident84.3Confident11 Ų1155.4 Ų55.44%0.04325%0.254CS..Hα-helixtrans-64-38.1173.3-76.1-65.4000112.5F949 A952 D953 V965 K966 A972 A973 Y1028F949-Y969 AromaticContact CD1-CD1 3.77Å; F949-Y969 HydrophobicContact CD1-CD1 3.77Å; F949-Y969 HydrophobicContact CD1-CE1 4.05Å; F949-Y969 AromaticContact CE1-CD1 3.99Å; F949-Y969 HydrophobicContact CE1-CD1 3.99Å; A952-Y969 HydrophobicContact CB-CD1 3.76Å; A952-Y969 HydrophobicContact CB-CD2 4.07Å; A952-Y969 HydrophobicContact CB-CE1 3.63Å; A952-Y969 HydrophobicContact CB-CE2 3.97Å; A952-Y969 HydrophobicContact CB-CG 3.96Å; D953-Y969 PolarHBondContact OD1-OH 3.25Å; V965-Y969 HydrophobicContact CG1-CD2 3.76Å; V965-Y969 HydrophobicContact CG1-CE2 3.45Å; V965-Y969 VanDerWaalsContact CG1-CE2 3.45Å; V965-Y969 VanDerWaalsContact O-CD2 3.31Å; V965-Y969 WeakPolarHBondContact O-CD2 3.11Å; V965-Y969 PolarHBondContact O-N 2.95Å; V965-Y969 VanDerWaalsContact O-N 3.08Å; K966-Y969 PolarHBondContact O-N 3.04Å; Y969-A972 PolarHBondContact O-N 3.02Å; Y969-A973 WeakPolarHBondContact O-CB 3.41Å; Y969-A973 PolarHBondContact O-N 3.45Å; Y969-Y1028 HydrophobicContact CD2-CD2 4.19Å; Y969-Y1028 HydrophobicContact CE2-CD2 4Å; Y969-Y1028 AromaticContact CE2-CE2 3.87Å; Y969-Y1028 HydrophobicContact CE2-CE2 3.87Å
970V89.6Confident85Confident11 Ų1151.4 Ų51.47%0.06723%0.234CC..Hα-helixtrans-62.7-43.5174.6171.90000111.1K966 K967 L968 A973 Q974 W1022 A1025K966-V970 HydrophobicContact CG-CG2 4.38Å; K966-V970 VanDerWaalsContact O-CG2 3.29Å; K966-V970 WeakPolarHBondContact O-CG2 3.42Å; K966-V970 PolarHBondContact O-N 3.21Å; K967-V970 PolarHBondContact O-N 3.15Å; L968-V970 VanDerWaalsContact C-N 3.35Å; V970-A973 PolarHBondContact O-N 3.02Å; V970-Q974 HydrophobicContact CG1-CG 4.5Å; V970-Q974 WeakPolarHBondContact O-CG 3.4Å; V970-Q974 PolarHBondContact O-N 3.18Å; V970-W1022 HydrophobicContact CB-CZ3 4.39Å; V970-W1022 HydrophobicContact CG1-CH2 4.31Å; V970-W1022 HydrophobicContact CG1-CZ3 4.09Å; V970-W1022 HydrophobicContact CG2-CZ3 4.19Å; V970-A1025 HydrophobicContact CG2-CB 3.85Å
971L88.5Confident85.6Confident82 Ų8256.1 Ų56.143%0.42925%0.253SS..Hα-helixtrans-64.1-40.6176.8-72.7170.5000112.1M948 K967 L968 Q974 L975M948-L971 HydrophobicContact CE-CB 3.86Å; M948-L971 HydrophobicContact CE-CD1 4.12Å; K967-L971 WeakPolarHBondContact O-CG 3.44Å; K967-L971 PolarHBondContact O-N 2.81Å; L968-L971 PolarHBondContact O-N 3.08Å; L971-Q974 PolarHBondContact O-N 3.45Å; L971-L975 WeakPolarHBondContact O-CG 3.08Å; L971-L975 PolarHBondContact O-N 2.86Å
972A87.1Confident85.5Confident0 Ų049.6 Ų49.60%023%0.232CC..Hα-helixtrans-63.5-43.717600000111.4M948 F949 L968 Y969 L975 V976M948-A972 HydrophobicContact CB-CB 3.78Å; F949-A972 HydrophobicContact CD1-CB 3.62Å; F949-A972 HydrophobicContact CD2-CB 3.92Å; F949-A972 HydrophobicContact CE1-CB 3.53Å; F949-A972 HydrophobicContact CE2-CB 3.84Å; F949-A972 HydrophobicContact CG-CB 3.8Å; F949-A972 HydrophobicContact CZ-CB 3.64Å; L968-A972 PolarHBondContact O-N 3.27Å; Y969-A972 PolarHBondContact O-N 3.02Å; A972-L975 PolarHBondContact O-N 2.91Å; A972-V976 PolarHBondContact O-N 3.36Å
973A86.4Confident85.1Confident0 Ų049.6 Ų49.60%023%0.231CC..Hα-helixtrans-65.6-37.3176.800000112.6Y969 V970 L975 V976 E977 A1021 W1022Y969-A973 WeakPolarHBondContact O-CB 3.41Å; Y969-A973 PolarHBondContact O-N 3.45Å; V970-A973 PolarHBondContact O-N 3.02Å; A973-L975 VanDerWaalsContact C-N 3.34Å; A973-L975 PolarHBondContact O-N 3.33Å; A973-V976 WeakPolarHBondContact O-CB 3.45Å; A973-V976 PolarHBondContact O-N 3.38Å; A973-V976 VanDerWaalsContact O-N 3.13Å; A973-E977 PolarHBondContact O-N 3.36Å; A973-A1021 HydrophobicContact CB-CB 4.28Å; A973-W1022 HydrophobicContact CB-CD2 3.66Å; A973-W1022 HydrophobicContact CB-CE3 3.84Å; A973-W1022 HydrophobicContact CB-CG 4.21Å; A973-W1022 HydrophobicContact CB-CH2 3.96Å; A973-W1022 HydrophobicContact CB-CZ2 3.81Å; A973-W1022 HydrophobicContact CB-CZ3 3.99Å
974Q86.4Confident84.5Confident73 Ų7351.5 Ų51.534%0.34124%0.236SC..Hα-helixtrans-61.7-39.7174.1-78.4178-2300112.6V970 L971 V976 E977 D978 W1022V970-Q974 HydrophobicContact CG1-CG 4.5Å; V970-Q974 WeakPolarHBondContact O-CG 3.4Å; V970-Q974 PolarHBondContact O-N 3.18Å; L971-Q974 PolarHBondContact O-N 3.45Å; Q974-V976 PolarHBondContact O-N 2.64Å; Q974-E977 PolarHBondContact O-N 3.47Å; Q974-E977 VanDerWaalsContact O-N 3.1Å; Q974-D978 PolarHBondContact O-N 2.91Å; Q974-W1022 HydrophobicContact CG-CH2 4.32Å
975L85.6Confident83.8Confident16 Ų1646.7 Ų46.78%0.08423%0.228CC..Hα-helixtrans-63.7-31174.8-69.4169.7000112.4V932 R936 F941 A944 A945 M948 L971 A972 A973 Y979V932-L975 HydrophobicContact CG1-CD1 4.46Å; R936-L975 HydrophobicContact CG-CD2 4.47Å; F941-L975 WeakPolarHBondContact CB-O 3.38Å; F941-L975 HydrophobicContact CD1-CD2 4.25Å; A944-L975 HydrophobicContact CB-CD1 4.03Å; A945-L975 HydrophobicContact CB-CB 3.88Å; M948-L975 HydrophobicContact CB-CD1 4.39Å; M948-L975 HydrophobicContact CG-CD1 3.83Å; L971-L975 WeakPolarHBondContact O-CG 3.08Å; L971-L975 PolarHBondContact O-N 2.86Å; A972-L975 PolarHBondContact O-N 2.91Å; A973-L975 VanDerWaalsContact C-N 3.34Å; A973-L975 PolarHBondContact O-N 3.33Å; L975-Y979 PolarHBondContact O-N 2.63Å; L975-Y979 VanDerWaalsContact O-N 3.12Å
976V85.1Confident82.6Confident0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-70.7-37.2172.91790000110.9A945 F949 A972 A973 Q974 Y979 H980 V1018 A1021A945-V976 HydrophobicContact CB-CG2 3.78Å; F949-V976 HydrophobicContact CE2-CG2 4.08Å; A972-V976 PolarHBondContact O-N 3.36Å; A973-V976 WeakPolarHBondContact O-CB 3.45Å; A973-V976 PolarHBondContact O-N 3.38Å; A973-V976 VanDerWaalsContact O-N 3.13Å; Q974-V976 PolarHBondContact O-N 2.64Å; V976-Y979 WeakPolarHBondContact O-CB 3.4Å; V976-Y979 PolarHBondContact O-N 2.81Å; V976-H980 PolarHBondContact O-N 3.16Å; V976-V1018 HydrophobicContact CG1-CB 4.47Å; V976-V1018 HydrophobicContact CG1-CG1 4.18Å; V976-V1018 HydrophobicContact CG1-CG2 4.37Å; V976-A1021 HydrophobicContact CB-CB 4.25Å; V976-A1021 HydrophobicContact CG1-CB 4.19Å; V976-A1021 HydrophobicContact CG2-CB 4.29Å
977E83.3Confident81.3Confident32 Ų3252.9 Ų52.915%0.1526%0.263CS..Hα-helixtrans-68.4-38.5173.3-62.8-57.3164.100112.3A973 Q974 Y979 H980 E981 W1022A973-E977 PolarHBondContact O-N 3.36Å; Q974-E977 PolarHBondContact O-N 3.47Å; Q974-E977 VanDerWaalsContact O-N 3.1Å; E977-Y979 PolarHBondContact O-N 3.27Å; E977-H980 CarbonylContact O-C 3.51Å; E977-H980 WeakPolarHBondContact O-CA 3.43Å; E977-H980 WeakPolarHBondContact O-CB 3.3Å; E977-H980 PolarHBondContact O-N 3.01Å; E977-H980 IonicContact OE2-CG 2.88Å; E977-H980 IonicContact OE2-ND1 3.72Å; E977-H980 PolarHBondContact OE2-ND1 3.08Å; E977-H980 VanDerWaalsContact OE2-ND1 3.16Å; E977-E981 PolarHBondContact O-N 3.12Å; E977-W1022 HydrophobicContact CG-CZ2 4.32Å; E977-W1022 PolarHBondContact OE1-NE1 2.9Å
978D82.6Confident79.8Confident65 Ų6553.7 Ų53.735%0.34827%0.269SS..Hα-helixtrans-58.9-37.4172.6-71-15000110.9F941 Q974 E981 Q982F941-D978 HydrophobicContact CD1-CB 3.95Å; F941-D978 HydrophobicContact CE1-CB 4.14Å; F941-D978 HydrophobicContact CG-CB 4.17Å; Q974-D978 PolarHBondContact O-N 2.91Å; D978-E981 PolarHBondContact O-N 2.89Å; D978-Q982 WeakPolarHBondContact O-CB 3.49Å; D978-Q982 PolarHBondContact O-N 2.93Å
979Y83.3Confident78.3Confident77 Ų7759.2 Ų59.230%0.30230%0.297SS..Hα-helixtrans-64.4-46.1171.7174-105.1000111.8L942 L975 V976 E977 E981 Q982 V983L942-Y979 HydrophobicContact CD1-CD1 4.13Å; L942-Y979 HydrophobicContact CD1-CD2 3.97Å; L942-Y979 HydrophobicContact CD1-CE1 3.75Å; L942-Y979 HydrophobicContact CD1-CE2 3.55Å; L942-Y979 HydrophobicContact CD1-CG 4.23Å; L942-Y979 VanDerWaalsContact CD1-CZ 3.43Å; L942-Y979 HydrophobicContact CD2-CD1 3.73Å; L942-Y979 HydrophobicContact CD2-CD2 4.41Å; L942-Y979 HydrophobicContact CD2-CE1 4.07Å; L942-Y979 HydrophobicContact CD2-CG 3.92Å; L942-Y979 HydrophobicContact CG-CD1 3.89Å; L942-Y979 HydrophobicContact CG-CD2 3.69Å; L942-Y979 HydrophobicContact CG-CE1 4.04Å; L942-Y979 HydrophobicContact CG-CE2 3.84Å; L942-Y979 HydrophobicContact CG-CG 3.7Å; L975-Y979 PolarHBondContact O-N 2.63Å; L975-Y979 VanDerWaalsContact O-N 3.12Å; V976-Y979 WeakPolarHBondContact O-CB 3.4Å; V976-Y979 PolarHBondContact O-N 2.81Å; E977-Y979 PolarHBondContact O-N 3.27Å; Y979-E981 VanDerWaalsContact C-N 3.31Å; Y979-E981 PolarHBondContact O-N 3.17Å; Y979-Q982 WeakPolarHBondContact O-CB 3.44Å; Y979-Q982 PolarHBondContact O-N 3.34Å; Y979-V983 HydrophobicContact CD1-CG2 4.31Å; Y979-V983 HydrophobicContact CD2-CG2 4.18Å; Y979-V983 HydrophobicContact CE1-CG2 3.86Å; Y979-V983 HydrophobicContact CE2-CG2 3.72Å; Y979-V983 HydrophobicContact CG-CG2 4.46Å; Y979-V983 WeakPolarHBondContact O-CG2 3.41Å; Y979-V983 PolarHBondContact O-N 3.44Å
980H80.6Confident76.5Confident47 Ų4766.1 Ų66.122%0.21833%0.327CS..Hα-helixtrans-60.5-39.1175.2-69.2159.3000112.7V976 E977 V983 K984 V1018V976-H980 PolarHBondContact O-N 3.16Å; E977-H980 CarbonylContact O-C 3.51Å; E977-H980 WeakPolarHBondContact O-CA 3.43Å; E977-H980 WeakPolarHBondContact O-CB 3.3Å; E977-H980 PolarHBondContact O-N 3.01Å; E977-H980 IonicContact OE2-CG 2.88Å; E977-H980 IonicContact OE2-ND1 3.72Å; E977-H980 PolarHBondContact OE2-ND1 3.08Å; E977-H980 VanDerWaalsContact OE2-ND1 3.16Å; H980-V983 PolarHBondContact O-N 2.95Å; H980-K984 VanDerWaalsContact O-CB 3.32Å; H980-K984 WeakPolarHBondContact O-CB 3.2Å; H980-K984 WeakPolarHBondContact O-CG 3.24Å; H980-K984 PolarHBondContact O-N 3.11Å; H980-V1018 WeakPolarHBondContact NE2-CG1 3.26Å
981E78.8Confident74.5Confident130 Ų13068.1 Ų68.161%0.60735%0.345SS*.Hα-helixtrans-65.4-42.5174.2-73.5-169.6175.200111.7E977 D978 Y979 V983 K984 A985E977-E981 PolarHBondContact O-N 3.12Å; D978-E981 PolarHBondContact O-N 2.89Å; Y979-E981 VanDerWaalsContact C-N 3.31Å; Y979-E981 PolarHBondContact O-N 3.17Å; E981-V983 PolarHBondContact O-N 3.02Å; E981-K984 PolarHBondContact O-N 3.06Å; E981-A985 VanDerWaalsContact O-CB 3.25Å; E981-A985 WeakPolarHBondContact O-CB 3.31Å; E981-A985 PolarHBondContact O-N 3.06Å
982Q78.9Confident72.6Confident78 Ų7874 Ų7436%0.36437%0.367SS..Hα-helixtrans-61.1-44174.8-172.8-174.816.400111.5F941 D978 Y979 A985 S986F941-Q982 HydrophobicContact CE2-CB 4.42Å; D978-Q982 WeakPolarHBondContact O-CB 3.49Å; D978-Q982 PolarHBondContact O-N 2.93Å; Y979-Q982 WeakPolarHBondContact O-CB 3.44Å; Y979-Q982 PolarHBondContact O-N 3.34Å; Q982-A985 PolarHBondContact O-N 3.26Å; Q982-S986 WeakPolarHBondContact O-CB 3.2Å; Q982-S986 PolarHBondContact O-N 3.22Å; Q982-S986 PolarHBondContact O-OG 2.93Å
983V76.6Confident71Confident39 Ų3976.8 Ų76.824%0.23640%0.396CS..Hα-helixtrans-64.4-47.9176.9173.30000110.1Y979 H980 E981 A985 S986 Q987Y979-V983 HydrophobicContact CD1-CG2 4.31Å; Y979-V983 HydrophobicContact CD2-CG2 4.18Å; Y979-V983 HydrophobicContact CE1-CG2 3.86Å; Y979-V983 HydrophobicContact CE2-CG2 3.72Å; Y979-V983 HydrophobicContact CG-CG2 4.46Å; Y979-V983 WeakPolarHBondContact O-CG2 3.41Å; Y979-V983 PolarHBondContact O-N 3.44Å; H980-V983 PolarHBondContact O-N 2.95Å; E981-V983 PolarHBondContact O-N 3.02Å; V983-A985 PolarHBondContact O-N 3.1Å; V983-S986 PolarHBondContact O-N 3.09Å; V983-S986 PolarHBondContact O-OG 2.99Å; V983-Q987 HydrophobicContact CG1-CG 4.37Å; V983-Q987 WeakPolarHBondContact O-CB 3.4Å; V983-Q987 VanDerWaalsContact O-CG 3.32Å; V983-Q987 WeakPolarHBondContact O-CG 3.47Å; V983-Q987 PolarHBondContact O-N 2.89Å
984K74.1Confident68.8Low114 Ų11485.5 Ų85.550%0.49643%0.434SS..Hα-helixtrans-59.3-43.8175.6-76171.3-176171.60112.6H980 E981 Q987 Q988H980-K984 VanDerWaalsContact O-CB 3.32Å; H980-K984 WeakPolarHBondContact O-CB 3.2Å; H980-K984 WeakPolarHBondContact O-CG 3.24Å; H980-K984 PolarHBondContact O-N 3.11Å; E981-K984 PolarHBondContact O-N 3.06Å; K984-Q987 PolarHBondContact O-N 3.1Å; K984-Q988 WeakPolarHBondContact O-CB 3.27Å; K984-Q988 WeakPolarHBondContact O-CG 3.42Å; K984-Q988 PolarHBondContact O-N 3.2Å
985A69.5Low66.8Low46 Ų4692.4 Ų92.438%0.3846%0.463SS..Hα-helixtrans-63.4-42.1176.600000111.3E981 Q982 V983 Q987 Q988 I989E981-A985 VanDerWaalsContact O-CB 3.25Å; E981-A985 WeakPolarHBondContact O-CB 3.31Å; E981-A985 PolarHBondContact O-N 3.06Å; Q982-A985 PolarHBondContact O-N 3.26Å; V983-A985 PolarHBondContact O-N 3.1Å; A985-Q987 VanDerWaalsContact C-N 3.34Å; A985-Q987 PolarHBondContact O-N 2.97Å; A985-Q988 PolarHBondContact O-N 3.05Å; A985-I989 WeakPolarHBondContact O-CD1 3.41Å; A985-I989 VanDerWaalsContact O-CG1 3.25Å; A985-I989 WeakPolarHBondContact O-CG1 3.35Å; A985-I989 PolarHBondContact O-N 3.25Å
986S63.7Low64.9Low57 Ų5794.3 Ų94.340%0.39948%0.477SS..Hα-helixtrans-66.3-34.4176.277.50000112.9Q982 V983 K990Q982-S986 WeakPolarHBondContact O-CB 3.2Å; Q982-S986 PolarHBondContact O-N 3.22Å; Q982-S986 PolarHBondContact O-OG 2.93Å; V983-S986 PolarHBondContact O-N 3.09Å; V983-S986 PolarHBondContact O-OG 2.99Å; S986-K990 PolarHBondContact O-N 3.38Å
987Q60.3Low63.3Low84 Ų84103.1 Ų103.139%0.39352%0.519SS..Hα-helixtrans-73.3-39.1175.3-73.2175.5-9.700111.9V983 K984 A985 I989 K990 A991V983-Q987 HydrophobicContact CG1-CG 4.37Å; V983-Q987 WeakPolarHBondContact O-CB 3.4Å; V983-Q987 VanDerWaalsContact O-CG 3.32Å; V983-Q987 WeakPolarHBondContact O-CG 3.47Å; V983-Q987 PolarHBondContact O-N 2.89Å; K984-Q987 PolarHBondContact O-N 3.1Å; A985-Q987 VanDerWaalsContact C-N 3.34Å; A985-Q987 PolarHBondContact O-N 2.97Å; Q987-I989 VanDerWaalsContact C-N 3.34Å; Q987-I989 PolarHBondContact O-N 3.3Å; Q987-K990 PolarHBondContact O-N 2.9Å; Q987-A991 WeakPolarHBondContact O-CB 3.37Å; Q987-A991 PolarHBondContact O-N 2.82Å
988Q57.9Low61.5Low144 Ų144105.6 Ų105.667%0.67355%0.545SS*.Hα-helixtrans-65.1-34.8174.2-77.8-176-5.300112.8K984 A985 K990 A991K984-Q988 WeakPolarHBondContact O-CB 3.27Å; K984-Q988 WeakPolarHBondContact O-CG 3.42Å; K984-Q988 PolarHBondContact O-N 3.2Å; A985-Q988 PolarHBondContact O-N 3.05Å; Q988-K990 VanDerWaalsContact C-N 3.31Å; Q988-K990 PolarHBondContact O-N 3.22Å; Q988-A991 PolarHBondContact O-N 3.11Å
989I57.5Low59.9Low137 Ų137106.9 Ų106.970%0.70356%0.555SS**Hα-helixtrans-65.6-35.6173.6-68.1164.7000110.9A985 Q987A985-I989 WeakPolarHBondContact O-CD1 3.41Å; A985-I989 VanDerWaalsContact O-CG1 3.25Å; A985-I989 WeakPolarHBondContact O-CG1 3.35Å; A985-I989 PolarHBondContact O-N 3.25Å; Q987-I989 VanDerWaalsContact C-N 3.34Å; Q987-I989 PolarHBondContact O-N 3.3Å
990K51.4Low58.3Low156 Ų156108.3 Ų108.368%0.67856%0.563SS**Hα-helixtrans-75.7-26.8174.4-74.3179.5177.81770113.5S986 Q987 Q988 K992 G993S986-K990 PolarHBondContact O-N 3.38Å; Q987-K990 PolarHBondContact O-N 2.9Å; Q988-K990 VanDerWaalsContact C-N 3.31Å; Q988-K990 PolarHBondContact O-N 3.22Å; K990-K992 VanDerWaalsContact C-N 3.34Å; K990-K992 PolarHBondContact O-N 3.36Å; K990-G993 PolarHBondContact O-N 2.85Å
991A47.3Very low56.8Low54 Ų54109.3 Ų109.345%0.44658%0.579SS.*Hα-helixtrans-73.6-15.1-177.400000115Q987 Q988 G993Q987-A991 WeakPolarHBondContact O-CB 3.37Å; Q987-A991 PolarHBondContact O-N 2.82Å; Q988-A991 PolarHBondContact O-N 3.11Å; A991-G993 PolarHBondContact O-N 3.17Å
992K49.3Very low55Low205 Ų205108.4 Ų108.489%0.89158%0.578SS**THydrogen-bonded Turntrans-65.1-1.4171.2-92-178.8175.3175.50114.1K990K990-K992 VanDerWaalsContact C-N 3.34Å; K990-K992 PolarHBondContact O-N 3.36Å
993G52.2Low53.3Low59 Ų59107 Ų10761%0.60858%0.579SS**THydrogen-bonded Turntrans-96.1-37.5-175.400000118K990 A991K990-G993 PolarHBondContact O-N 2.85Å; A991-G993 PolarHBondContact O-N 3.17Å
994K41Very low52Low183 Ų183106.2 Ų106.280%0.79658%0.579SS**  trans-155.6134.8-174.4-70.9-172.1178.7172.40113.3S996K994-S996 PolarHBondContact O-N 2.88Å
995K45.1Very low50.6Low218 Ų218105.7 Ų105.795%0.94858%0.581SS**  trans-73.5111.2176.1-75.1-179.6173.6-179.50111.5
996S45.3Very low49.3Very low56 Ų56109.2 Ų109.239%0.39259%0.593SS.*  trans-178.9100.2150.5171.30000108.6K994 A998 T999K994-S996 PolarHBondContact O-N 2.88Å; S996-A998 VanDerWaalsContact C-N 3.31Å; S996-A998 PolarHBondContact O-N 2.84Å; S996-T999 WeakPolarHBondContact CB-OG1 3.47Å; S996-T999 PolarHBondContact OG-OG1 2.9Å
997E51Low48.6Very low185 Ų185113.7 Ų113.786%0.86461%0.608SS**Hα-helixtrans-67.5-28.8179.6-79.9174.4143.400112.8F1000 A1001E997-F1000 PolarHBondContact O-N 3.07Å; E997-A1001 PolarHBondContact O-N 2.97Å
998A45.9Very low47.8Very low84 Ų84115 Ų11569%0.69461%0.614SS**Hα-helixtrans-76.2-30.7-173.100000114S996S996-A998 VanDerWaalsContact C-N 3.31Å; S996-A998 PolarHBondContact O-N 2.84Å
999T48.2Very low46.9Very low91 Ų91114.2 Ų114.256%0.55861%0.614SS**Hα-helixtrans-83.3-19.5175.732.80000113.3S996 A1003S996-T999 WeakPolarHBondContact CB-OG1 3.47Å; S996-T999 PolarHBondContact OG-OG1 2.9Å; T999-A1003 PolarHBondContact O-N 3.35Å
1000F50.5Low46.2Very low108 Ų108111.8 Ų111.847%0.47461%0.614SS.*Hα-helixtrans-76-35.5176.2-102.5-87.9000112.8E997 L1002 A1003 G1004E997-F1000 PolarHBondContact O-N 3.07Å; F1000-L1002 VanDerWaalsContact C-N 3.29Å; F1000-L1002 PolarHBondContact O-N 3.24Å; F1000-A1003 PolarHBondContact O-N 2.82Å; F1000-G1004 PolarHBondContact O-N 2.67Å
1001A48.8Very low46.1Very low67 Ų67108 Ų10855%0.55460%0.604SS**Hα-helixtrans-63.7-35.6173.700000112.1E997 L1005E997-A1001 PolarHBondContact O-N 2.97Å; A1001-L1005 PolarHBondContact O-N 3.26Å
1002L40.3Very low46.2Very low112 Ų112110.5 Ų110.559%0.58662%0.618SS**Hα-helixtrans-76.6-31.6177.7-149.480.4000112.8F1000 L1006F1000-L1002 VanDerWaalsContact C-N 3.29Å; F1000-L1002 PolarHBondContact O-N 3.24Å; L1002-L1006 WeakPolarHBondContact O-CG 3.17Å; L1002-L1006 PolarHBondContact O-N 3.08Å
1003A44.1Very low46.2Very low48 Ų48105 Ų10540%0.39761%0.606SS.*Hα-helixtrans-74.1-31.3175.700000112.8T999 F1000 L1005 L1006 E1007T999-A1003 PolarHBondContact O-N 3.35Å; F1000-A1003 PolarHBondContact O-N 2.82Å; A1003-L1005 VanDerWaalsContact C-N 3.35Å; A1003-L1006 PolarHBondContact O-N 3.05Å; A1003-E1007 PolarHBondContact O-N 3.2Å; A1003-E1007 VanDerWaalsContact O-N 3.14Å
1004G48.8Very low46.2Very low22 Ų22104 Ų10423%0.22759%0.587CS.*Hα-helixtrans-61.5-42.517000000112.3F1000 L1006 E1008F1000-G1004 PolarHBondContact O-N 2.67Å; G1004-L1006 VanDerWaalsContact C-N 3.31Å; G1004-L1006 PolarHBondContact O-N 3.23Å; G1004-E1008 VanDerWaalsContact O-CG 3.31Å; G1004-E1008 WeakPolarHBondContact O-CG 3.34Å; G1004-E1008 PolarHBondContact O-N 3.01Å
1005L43.8Very low47Very low104 Ų10497.7 Ų97.755%0.54556%0.562SS.*Hα-helixtrans-66.1-28.8174.9-79.1157.3000113.4A1001 A1003A1001-L1005 PolarHBondContact O-N 3.26Å; A1003-L1005 VanDerWaalsContact C-N 3.35Å
1006L43.2Very low47.8Very low119 Ų11997 Ų9762%0.62355%0.553SS**Hα-helixtrans-85.8-24.8-178.4-76164.5000114.1L1002 A1003 G1004L1002-L1006 WeakPolarHBondContact O-CG 3.17Å; L1002-L1006 PolarHBondContact O-N 3.08Å; A1003-L1006 PolarHBondContact O-N 3.05Å; G1004-L1006 VanDerWaalsContact C-N 3.31Å; G1004-L1006 PolarHBondContact O-N 3.23Å
1007E48.4Very low48.6Very low152 Ų15297.1 Ų97.171%0.7155%0.549SS*.Hα-helixtrans-81.9-21.8169.2-77.8-175.4168.500112.2A1003 D1009A1003-E1007 PolarHBondContact O-N 3.2Å; A1003-E1007 VanDerWaalsContact O-N 3.14Å; E1007-D1009 VanDerWaalsContact C-N 3.32Å; E1007-D1009 PolarHBondContact O-N 2.87Å
1008E43.6Very low49.3Very low112 Ų11289.7 Ų89.752%0.52352%0.516SS..G310 helixtrans-69.2-22.7173.5-81.9172.4170.900113.7G1004 A1010 N1015G1004-E1008 VanDerWaalsContact O-CG 3.31Å; G1004-E1008 WeakPolarHBondContact O-CG 3.34Å; G1004-E1008 PolarHBondContact O-N 3.01Å; E1008-A1010 PolarHBondContact O-N 2.77Å; E1008-N1015 PolarHBondContact O-ND2 2.96Å
1009D38.6Very low50.2Low127 Ų12792.4 Ų92.468%0.67952%0.519SS*.G310 helixtrans-80.3-9.8-177.3-87.2-20.6000114.7E1007E1007-D1009 VanDerWaalsContact C-N 3.32Å; E1007-D1009 PolarHBondContact O-N 2.87Å
1010A44.1Very low51.4Low85 Ų8590.6 Ų90.670%0.70251%0.51SS*.G310 helixtrans-88.3-12.1-172.500000115.5E1008E1008-A1010 PolarHBondContact O-N 2.77Å
1011T47.8Very low52.9Low76 Ų7685.6 Ų85.647%0.46649%0.489SS..  trans-123.965.6-18052.30000112.2S1013 D1014 N1015T1011-S1013 PolarHBondContact O-N 2.89Å; T1011-D1014 PolarHBondContact O-N 2.89Å; T1011-N1015 PolarHBondContact O-OD1 3.42Å
1012S49.9Very low54.8Low107 Ų10783.3 Ų83.375%0.74847%0.466SS*.THydrogen-bonded Turntrans-58.8-14.5-171.1560000116.9
1013S50Low57Low91 Ų9182.1 Ų82.164%0.63645%0.454SS*.THydrogen-bonded Turntrans-91.2-27174.563.80000114.6T1011T1011-S1013 PolarHBondContact O-N 2.89Å
1014D52.7Low58.9Low38 Ų3880.2 Ų80.220%0.20344%0.438CS..THydrogen-bonded Turntrans-86.7-22.2-172.8-79.7-7.5000112.5K946 T1011 R1016 I1017 V1018K946-D1014 WeakPolarHBondContact CE-OD1 3.48Å; K946-D1014 IonicContact NZ-OD1 2.74Å; K946-D1014 PolarHBondContact NZ-OD1 3.11Å; K946-D1014 IonicContact NZ-OD2 2.59Å; K946-D1014 PolarHBondContact NZ-OD2 2.63Å; T1011-D1014 PolarHBondContact O-N 2.89Å; D1014-R1016 VanDerWaalsContact C-N 3.28Å; D1014-R1016 PolarHBondContact O-N 2.72Å; D1014-I1017 PolarHBondContact O-N 2.98Å; D1014-I1017 VanDerWaalsContact O-N 3.17Å; D1014-V1018 WeakPolarHBondContact O-CG2 3.41Å; D1014-V1018 PolarHBondContact O-N 2.88Å
1015N56.5Low60.8Low49 Ų4979.1 Ų79.126%0.26243%0.427SS..Hα-helixtrans-60.3-34179.8-66.31.9000112.7E1008 T1011 I1017 V1018 D1019E1008-N1015 PolarHBondContact O-ND2 2.96Å; T1011-N1015 PolarHBondContact O-OD1 3.42Å; N1015-I1017 PolarHBondContact O-N 3.22Å; N1015-V1018 PolarHBondContact O-N 2.79Å; N1015-D1019 VanDerWaalsContact O-CB 3.29Å; N1015-D1019 WeakPolarHBondContact O-CB 3.42Å; N1015-D1019 PolarHBondContact O-N 3.42Å
1016R61.3Low63Low203 Ų20375.6 Ų75.677%0.76641%0.408SS*.Hα-helixtrans-64.3-38.5177.5-72-173.1-178.3-178.71.1113.3D1014 V1018 S1020D1014-R1016 VanDerWaalsContact C-N 3.28Å; D1014-R1016 PolarHBondContact O-N 2.72Å; R1016-V1018 VanDerWaalsContact C-N 3.33Å; R1016-S1020 VanDerWaalsContact O-CB 3.31Å; R1016-S1020 WeakPolarHBondContact O-CB 3.3Å; R1016-S1020 PolarHBondContact O-N 3.01Å; R1016-S1020 PolarHBondContact O-OG 3.02Å
1017I63.5Low65.1Low59 Ų5970 Ų7030%0.30338%0.378SS..Hα-helixtrans-72-35.9-178.7-62.5175.5000109.8K946 F949 D1014 N1015 A1021K946-I1017 HydrophobicContact CG-CD1 4.09Å; F949-I1017 HydrophobicContact CD2-CG2 3.79Å; F949-I1017 HydrophobicContact CE2-CG2 3.61Å; D1014-I1017 PolarHBondContact O-N 2.98Å; D1014-I1017 VanDerWaalsContact O-N 3.17Å; N1015-I1017 PolarHBondContact O-N 3.22Å; I1017-A1021 WeakPolarHBondContact O-CA 3.5Å; I1017-A1021 WeakPolarHBondContact O-CB 3.46Å; I1017-A1021 PolarHBondContact O-N 2.88Å; I1017-A1021 VanDerWaalsContact O-N 3.15Å
1018V65.1Low67.1Low30 Ų3063.3 Ų63.318%0.18235%0.347CS..Hα-helixtrans-71.4-47.7177.9178.80000111.1L942 V976 H980 D1014 N1015 R1016 S1020L942-V1018 HydrophobicContact CD2-CG2 4.23Å; V976-V1018 HydrophobicContact CG1-CB 4.47Å; V976-V1018 HydrophobicContact CG1-CG1 4.18Å; V976-V1018 HydrophobicContact CG1-CG2 4.37Å; H980-V1018 WeakPolarHBondContact NE2-CG1 3.26Å; D1014-V1018 WeakPolarHBondContact O-CG2 3.41Å; D1014-V1018 PolarHBondContact O-N 2.88Å; N1015-V1018 PolarHBondContact O-N 2.79Å; R1016-V1018 VanDerWaalsContact C-N 3.33Å; V1018-S1020 PolarHBondContact O-N 3.12Å
1019D65.4Low69.4Low140 Ų14058.8 Ų58.875%0.74933%0.326SS*.Hα-helixtrans-70.5-28.8-178.7-69.9-24000113.4N1015N1015-D1019 VanDerWaalsContact O-CB 3.29Å; N1015-D1019 WeakPolarHBondContact O-CB 3.42Å; N1015-D1019 PolarHBondContact O-N 3.42Å
1020S73.7Confident71.8Confident54 Ų5452.7 Ų52.738%0.37829%0.293SS..THydrogen-bonded Turntrans-107.415.8-179.572.30000114.2R1016 V1018 W1022 R1023R1016-S1020 VanDerWaalsContact O-CB 3.31Å; R1016-S1020 WeakPolarHBondContact O-CB 3.3Å; R1016-S1020 PolarHBondContact O-N 3.01Å; R1016-S1020 PolarHBondContact O-OG 3.02Å; V1018-S1020 PolarHBondContact O-N 3.12Å; S1020-W1022 PolarHBondContact O-N 2.77Å; S1020-R1023 WeakPolarHBondContact O-CB 3.32Å; S1020-R1023 PolarHBondContact O-N 3.16Å
1021A81.8Confident74Confident3 Ų349.3 Ų49.33%0.02526%0.263CS..THydrogen-bonded Turntrans-51-39-17200000113.8F949 A973 V976 I1017F949-A1021 HydrophobicContact CZ-CB 4.34Å; A973-A1021 HydrophobicContact CB-CB 4.28Å; V976-A1021 HydrophobicContact CB-CB 4.25Å; V976-A1021 HydrophobicContact CG1-CB 4.19Å; V976-A1021 HydrophobicContact CG2-CB 4.29Å; I1017-A1021 WeakPolarHBondContact O-CA 3.5Å; I1017-A1021 WeakPolarHBondContact O-CB 3.46Å; I1017-A1021 PolarHBondContact O-N 2.88Å; I1017-A1021 VanDerWaalsContact O-N 3.15Å
1022W87.5Confident76Confident19 Ų1946.7 Ų46.77%0.07225%0.246CC..THydrogen-bonded Turntrans-89-11.2-178.9-68.699.1000114.8V970 A973 Q974 E977 S1020 G1024 A1025 E1026 V1155 C1156 L1173 C1174V970-W1022 HydrophobicContact CB-CZ3 4.39Å; V970-W1022 HydrophobicContact CG1-CH2 4.31Å; V970-W1022 HydrophobicContact CG1-CZ3 4.09Å; V970-W1022 HydrophobicContact CG2-CZ3 4.19Å; A973-W1022 HydrophobicContact CB-CD2 3.66Å; A973-W1022 HydrophobicContact CB-CE3 3.84Å; A973-W1022 HydrophobicContact CB-CG 4.21Å; A973-W1022 HydrophobicContact CB-CH2 3.96Å; A973-W1022 HydrophobicContact CB-CZ2 3.81Å; A973-W1022 HydrophobicContact CB-CZ3 3.99Å; Q974-W1022 HydrophobicContact CG-CH2 4.32Å; E977-W1022 HydrophobicContact CG-CZ2 4.32Å; E977-W1022 PolarHBondContact OE1-NE1 2.9Å; S1020-W1022 PolarHBondContact O-N 2.77Å; W1022-G1024 VanDerWaalsContact C-N 3.32Å; W1022-G1024 PolarHBondContact O-N 2.89Å; W1022-A1025 HydrophobicContact CE3-CB 4.26Å; W1022-A1025 PolarHBondContact O-N 3.19Å; W1022-A1025 VanDerWaalsContact O-N 3.09Å; W1022-E1026 WeakPolarHBondContact O-CB 3.27Å; W1022-E1026 PolarHBondContact O-N 2.94Å; W1022-V1155 HydrophobicContact CH2-CG1 4.48Å; W1022-V1155 HydrophobicContact CZ2-CG1 4.06Å; W1022-C1156 HydrophobicContact CD2-CB 3.68Å; W1022-C1156 HydrophobicContact CE3-CB 3.89Å; W1022-C1156 HydrophobicContact CG-CB 4.24Å; W1022-C1156 HydrophobicContact CH2-CB 4.17Å; W1022-C1156 HydrophobicContact CZ2-CB 3.94Å; W1022-C1156 HydrophobicContact CZ3-CB 4.13Å; W1022-L1173 HydrophobicContact CE3-CD2 4.45Å; W1022-L1173 HydrophobicContact CE3-CG 4.47Å; W1022-C1174 HydrophobicContact CE3-CB 4.42Å; W1022-C1174 HydrophobicContact CH2-CB 3.34Å; W1022-C1174 HydrophobicContact CZ2-CB 4.29Å; W1022-C1174 HydrophobicContact CZ3-CB 3.41Å; W1022-C1174 VanDerWaalsContact CZ3-CB 3.41Å
1023R86.9Confident77.8Confident87 Ų8742.7 Ų42.733%0.32822%0.216SC..Hα-helixtrans-59.2-40.8-172.9-172.7173.5176.379.310.6112.6S1020 E1026 A1027 E1055 Y1056 D1058 V1059S1020-R1023 WeakPolarHBondContact O-CB 3.32Å; S1020-R1023 PolarHBondContact O-N 3.16Å; R1023-E1026 PolarHBondContact O-N 2.98Å; R1023-A1027 PolarHBondContact O-N 3.07Å; R1023-E1055 PolarHBondContact NH2-O 3Å; R1023-Y1056 HydrophobicContact CG-CD1 4.22Å; R1023-Y1056 HydrophobicContact CG-CE1 4.16Å; R1023-D1058 IonicContact CZ-OD1 3.35Å; R1023-D1058 IonicContact CZ-OD2 2.74Å; R1023-D1058 IonicContact NE-OD1 3.69Å; R1023-D1058 IonicContact NE-OD2 3.77Å; R1023-D1058 PolarHBondContact NE-OD2 2.82Å; R1023-D1058 IonicContact NH2-OD1 3.68Å; R1023-D1058 PolarHBondContact NH2-OD1 2.83Å; R1023-D1058 IonicContact NH2-OD2 3.78Å; R1023-D1058 PolarHBondContact NH2-OD2 3.48Å; R1023-V1059 HydrophobicContact CG-CG2 4.48Å
1024G85.3Confident79.7Confident7 Ų738.3 Ų38.37%0.07219%0.185CC..Hα-helixtrans-65.6-42.3175.900000113.1W1022 E1026 Y1028W1022-G1024 VanDerWaalsContact C-N 3.32Å; W1022-G1024 PolarHBondContact O-N 2.89Å; G1024-E1026 VanDerWaalsContact C-N 3.34Å; G1024-Y1028 WeakPolarHBondContact O-CD2 3.34Å; G1024-Y1028 PolarHBondContact O-N 3.08Å
1025A88.4Confident81.5Confident0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-67.3-36.5177.100000111.9V970 W1022 H1029 L1173V970-A1025 HydrophobicContact CG2-CB 3.85Å; W1022-A1025 HydrophobicContact CE3-CB 4.26Å; W1022-A1025 PolarHBondContact O-N 3.19Å; W1022-A1025 VanDerWaalsContact O-N 3.09Å; A1025-H1029 WeakPolarHBondContact O-CB 3.34Å; A1025-H1029 PolarHBondContact O-N 2.86Å; A1025-L1173 HydrophobicContact CB-CD1 4.25Å
1026E88.8Confident83Confident30 Ų3044.7 Ų44.714%0.1421%0.206CC..Hα-helixtrans-67-46.3178.9-173.7177.4-150.900112.3W1022 R1023 G1024 Y1028 H1029 F1030 Y1056 H1158W1022-E1026 WeakPolarHBondContact O-CB 3.27Å; W1022-E1026 PolarHBondContact O-N 2.94Å; R1023-E1026 PolarHBondContact O-N 2.98Å; G1024-E1026 VanDerWaalsContact C-N 3.34Å; E1026-Y1028 PolarHBondContact O-N 2.93Å; E1026-H1029 WeakPolarHBondContact O-CB 3.44Å; E1026-H1029 PolarHBondContact O-N 3.46Å; E1026-H1029 VanDerWaalsContact O-N 3.12Å; E1026-F1030 HydrophobicContact CG-CD2 3.74Å; E1026-F1030 HydrophobicContact CG-CE2 3.41Å; E1026-F1030 VanDerWaalsContact CG-CE2 3.41Å; E1026-F1030 HydrophobicContact CG-CZ 4.46Å; E1026-F1030 WeakPolarHBondContact O-CD2 3.16Å; E1026-F1030 PolarHBondContact O-N 2.85Å; E1026-Y1056 HydrophobicContact CB-CE1 4.29Å; E1026-Y1056 HydrophobicContact CG-CE1 4.11Å; E1026-Y1056 WeakPolarHBondContact CG-OH 3.45Å; E1026-Y1056 PolarHBondContact OE1-OH 2.86Å; E1026-Y1056 VanDerWaalsContact OE1-OH 3.11Å; E1026-Y1056 PolarHBondContact OE2-OH 3.17Å; E1026-H1158 IonicContact OE1-CD2 3.47Å; E1026-H1158 PolarHBondContact OE1-CD2 3.12Å; E1026-H1158 IonicContact OE1-NE2 2.71Å; E1026-H1158 PolarHBondContact OE1-NE2 3.31Å; E1026-H1158 VanDerWaalsContact OE1-NE2 3.13Å; E1026-H1158 IonicContact OE2-NE2 3.31Å; E1026-H1158 PolarHBondContact OE2-NE2 3.12Å
1027A88.8Confident84.4Confident0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-54.9-53.4176.900000111.9R1023 H1029 F1030 F1031 L1053 Y1056 V1059 I1060R1023-A1027 PolarHBondContact O-N 3.07Å; A1027-H1029 VanDerWaalsContact C-N 3.28Å; A1027-H1029 PolarHBondContact O-N 3.44Å; A1027-F1030 PolarHBondContact O-N 3.07Å; A1027-F1031 WeakPolarHBondContact O-CB 3.35Å; A1027-F1031 PolarHBondContact O-N 3.3Å; A1027-L1053 WeakPolarHBondContact O-CD2 3.22Å; A1027-Y1056 HydrophobicContact CB-CD1 3.62Å; A1027-Y1056 HydrophobicContact CB-CE1 4.42Å; A1027-Y1056 HydrophobicContact CB-CG 3.7Å; A1027-V1059 HydrophobicContact CB-CB 3.95Å; A1027-V1059 HydrophobicContact CB-CG1 3.84Å; A1027-V1059 HydrophobicContact CB-CG2 4.45Å; A1027-I1060 HydrophobicContact CB-CD1 3.95Å; A1027-I1060 HydrophobicContact CB-CG1 4.16Å
1028Y89.6Confident85.5Confident12 Ų1235.2 Ų35.25%0.04717%0.17CC..Hα-helixtrans-69.7-26.1179-80.2-80.2000112.9A956 P962 V965 Y969 G1024 E1026 L1032 V1059 I1060A956-Y1028 WeakPolarHBondContact CB-OH 3.38Å; P962-Y1028 HydrophobicContact CB-CD1 4.02Å; P962-Y1028 HydrophobicContact CB-CE1 4.45Å; V965-Y1028 HydrophobicContact CB-CD1 4.43Å; V965-Y1028 HydrophobicContact CB-CE1 4.32Å; V965-Y1028 HydrophobicContact CG1-CD1 4.31Å; V965-Y1028 HydrophobicContact CG1-CD2 3.78Å; V965-Y1028 HydrophobicContact CG1-CE1 4.04Å; V965-Y1028 HydrophobicContact CG1-CE2 3.5Å; V965-Y1028 VanDerWaalsContact CG1-CE2 3.5Å; V965-Y1028 HydrophobicContact CG1-CG 4.19Å; Y969-Y1028 HydrophobicContact CD2-CD2 4.19Å; Y969-Y1028 HydrophobicContact CE2-CD2 4Å; Y969-Y1028 AromaticContact CE2-CE2 3.87Å; Y969-Y1028 HydrophobicContact CE2-CE2 3.87Å; G1024-Y1028 WeakPolarHBondContact O-CD2 3.34Å; G1024-Y1028 PolarHBondContact O-N 3.08Å; E1026-Y1028 PolarHBondContact O-N 2.93Å; Y1028-L1032 WeakPolarHBondContact O-CB 3.32Å; Y1028-L1032 WeakPolarHBondContact O-CD1 3.38Å; Y1028-L1032 VanDerWaalsContact O-CG 3.28Å; Y1028-L1032 WeakPolarHBondContact O-CG 3.36Å; Y1028-L1032 PolarHBondContact O-N 3.49Å; Y1028-L1032 VanDerWaalsContact O-N 3.09Å; Y1028-V1059 HydrophobicContact CD2-CG1 4.27Å; Y1028-V1059 HydrophobicContact CE2-CG1 3.93Å; Y1028-I1060 HydrophobicContact CD1-CD1 4.28Å; Y1028-I1060 HydrophobicContact CD2-CD1 4.49Å; Y1028-I1060 HydrophobicContact CD2-CG1 4.38Å; Y1028-I1060 HydrophobicContact CE1-CD1 4.39Å; Y1028-I1060 HydrophobicContact CE1-CG1 4.29Å; Y1028-I1060 HydrophobicContact CE2-CG1 4.03Å; Y1028-I1060 HydrophobicContact CG-CD1 4.34Å
1029H90.9Very high86.6Confident17 Ų1741.7 Ų41.78%0.07920%0.198CC..Hα-helixtrans-63.9-53172.1177.189.8000111.1K966 A1025 E1026 A1027 F1031 L1032 L1033 I1139 P1172 L1173K966-H1029 HydrophobicContact CD-CB 4.37Å; K966-H1029 PolarHBondContact NZ-ND1 2.84Å; A1025-H1029 WeakPolarHBondContact O-CB 3.34Å; A1025-H1029 PolarHBondContact O-N 2.86Å; E1026-H1029 WeakPolarHBondContact O-CB 3.44Å; E1026-H1029 PolarHBondContact O-N 3.46Å; E1026-H1029 VanDerWaalsContact O-N 3.12Å; A1027-H1029 VanDerWaalsContact C-N 3.28Å; A1027-H1029 PolarHBondContact O-N 3.44Å; H1029-F1031 VanDerWaalsContact C-N 3.3Å; H1029-F1031 PolarHBondContact O-N 3.22Å; H1029-L1032 PolarHBondContact O-N 2.78Å; H1029-L1033 WeakPolarHBondContact O-CB 2.95Å; H1029-L1033 PolarHBondContact O-N 2.55Å; H1029-I1139 PolarHBondContact NE2-O 3.33Å; H1029-P1172 PolarHBondContact CE1-O 2.81Å; H1029-P1172 VanDerWaalsContact CE1-O 3.25Å; H1029-P1172 PolarHBondContact ND1-O 3.46Å; H1029-L1173 HydrophobicContact CB-CD1 3.64Å
1030F89.8Confident87.6Confident0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-66.6-32.5178.9-71.8-54.8000112.5E1026 A1027 L1033 A1034 T1049 H1052 L1053 Y1056 T1137 I1139E1026-F1030 HydrophobicContact CG-CD2 3.74Å; E1026-F1030 HydrophobicContact CG-CE2 3.41Å; E1026-F1030 VanDerWaalsContact CG-CE2 3.41Å; E1026-F1030 HydrophobicContact CG-CZ 4.46Å; E1026-F1030 WeakPolarHBondContact O-CD2 3.16Å; E1026-F1030 PolarHBondContact O-N 2.85Å; A1027-F1030 PolarHBondContact O-N 3.07Å; F1030-L1033 HydrophobicContact CD1-CD2 4.17Å; F1030-L1033 PolarHBondContact O-N 3.15Å; F1030-A1034 WeakPolarHBondContact O-CB 3.46Å; F1030-A1034 PolarHBondContact O-N 3.14Å; F1030-T1049 HydrophobicContact CB-CG2 4.23Å; F1030-T1049 HydrophobicContact CD1-CG2 4.13Å; F1030-T1049 WeakPolarHBondContact O-CG2 3.45Å; F1030-H1052 AromaticContact CD2-CD2 3.79Å; F1030-H1052 AromaticContact CE2-CD2 3.66Å; F1030-H1052 AromaticContact CE2-NE2 3.63Å; F1030-L1053 HydrophobicContact CB-CD2 3.59Å; F1030-L1053 HydrophobicContact CB-CG 4.21Å; F1030-Y1056 HydrophobicContact CD2-CE2 4.13Å; F1030-T1137 HydrophobicContact CE1-CG2 4.04Å; F1030-T1137 HydrophobicContact CZ-CG2 3.9Å; F1030-I1139 HydrophobicContact CZ-CG2 4.41Å
1031F89.6Confident88.1Confident13 Ų1338 Ų386%0.05720%0.196CC..Hα-helixtrans-62.8-47.5175.6-174-100.1000111.3P962 A1027 H1029 L1033 Q1035 L1053 I1060 E1064 L1068P962-F1031 HydrophobicContact CB-CD1 4.47Å; P962-F1031 HydrophobicContact CG-CE1 4.29Å; A1027-F1031 WeakPolarHBondContact O-CB 3.35Å; A1027-F1031 PolarHBondContact O-N 3.3Å; H1029-F1031 VanDerWaalsContact C-N 3.3Å; H1029-F1031 PolarHBondContact O-N 3.22Å; F1031-L1033 VanDerWaalsContact C-N 3.33Å; F1031-L1033 PolarHBondContact O-N 3.16Å; F1031-Q1035 WeakPolarHBondContact O-CG 3.41Å; F1031-Q1035 PolarHBondContact O-N 2.87Å; F1031-L1053 HydrophobicContact CB-CD1 4.26Å; F1031-L1053 HydrophobicContact CB-CD2 4.21Å; F1031-L1053 HydrophobicContact CD2-CD1 4.09Å; F1031-I1060 HydrophobicContact CB-CD1 3.74Å; F1031-I1060 HydrophobicContact CD2-CD1 4.15Å; F1031-I1060 HydrophobicContact CD2-CG2 4.48Å; F1031-I1060 HydrophobicContact CG-CD1 4.03Å; F1031-E1064 HydrophobicContact CE2-CB 4.18Å; F1031-E1064 HydrophobicContact CZ-CB 4.39Å; F1031-L1068 HydrophobicContact CD2-CD2 3.81Å; F1031-L1068 HydrophobicContact CE2-CB 4.48Å; F1031-L1068 HydrophobicContact CE2-CD2 3.81Å
1032L89.6Confident88.3Confident22 Ų2244.7 Ų44.712%0.11522%0.221CC..Hα-helixtrans-65.2-36.3174-75.5170.3000112.3P962 L963 K966 Y1028 H1029 R1036P962-L1032 HydrophobicContact CB-CD1 4.46Å; P962-L1032 HydrophobicContact CB-CD2 3.88Å; P962-L1032 HydrophobicContact CB-CG 4.13Å; L963-L1032 HydrophobicContact CB-CD1 4.38Å; L963-L1032 HydrophobicContact CD1-CD1 4.25Å; K966-L1032 HydrophobicContact CD-CD1 4.35Å; Y1028-L1032 WeakPolarHBondContact O-CB 3.32Å; Y1028-L1032 WeakPolarHBondContact O-CD1 3.38Å; Y1028-L1032 VanDerWaalsContact O-CG 3.28Å; Y1028-L1032 WeakPolarHBondContact O-CG 3.36Å; Y1028-L1032 PolarHBondContact O-N 3.49Å; Y1028-L1032 VanDerWaalsContact O-N 3.09Å; H1029-L1032 PolarHBondContact O-N 2.78Å; L1032-R1036 WeakPolarHBondContact O-CB 3.33Å; L1032-R1036 VanDerWaalsContact O-CG 3.29Å; L1032-R1036 WeakPolarHBondContact O-CG 3.32Å; L1032-R1036 PolarHBondContact O-N 2.89Å
1033L89.4Confident88.1Confident22 Ų2245.6 Ų45.612%0.11523%0.229CC..Hα-helixtrans-66.2-45.9179.1-177.361.8000111.4H1029 F1030 F1031 Q1035 R1036 Q1037 T1049H1029-L1033 WeakPolarHBondContact O-CB 2.95Å; H1029-L1033 PolarHBondContact O-N 2.55Å; F1030-L1033 HydrophobicContact CD1-CD2 4.17Å; F1030-L1033 PolarHBondContact O-N 3.15Å; F1031-L1033 VanDerWaalsContact C-N 3.33Å; F1031-L1033 PolarHBondContact O-N 3.16Å; L1033-Q1035 PolarHBondContact O-N 2.88Å; L1033-R1036 PolarHBondContact O-N 2.92Å; L1033-Q1037 HydrophobicContact CD1-CG 4.27Å; L1033-Q1037 HydrophobicContact CG-CG 4.41Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.47Å; L1033-Q1037 VanDerWaalsContact O-CG 3.29Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.46Å; L1033-Q1037 PolarHBondContact O-N 3.19Å; L1033-T1049 HydrophobicContact CB-CG2 4.24Å; L1033-T1049 HydrophobicContact CD2-CG2 4.13Å; L1033-T1049 HydrophobicContact CG-CG2 4.22Å
1034A89.9Confident87.9Confident0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-59.4-44.7177.100000111.7F1030 R1036 Q1037 L1038 T1049 A1050 L1053 L1068F1030-A1034 WeakPolarHBondContact O-CB 3.46Å; F1030-A1034 PolarHBondContact O-N 3.14Å; A1034-R1036 PolarHBondContact O-N 2.93Å; A1034-Q1037 PolarHBondContact O-N 3.11Å; A1034-L1038 WeakPolarHBondContact O-CB 3.25Å; A1034-L1038 PolarHBondContact O-N 3.19Å; A1034-T1049 HydrophobicContact CB-CG2 3.92Å; A1034-A1050 HydrophobicContact CB-CB 4.42Å; A1034-L1053 HydrophobicContact CB-CD1 4.34Å; A1034-L1068 HydrophobicContact CB-CD2 3.87Å
1035Q89.5Confident87.9Confident62 Ų6246.5 Ų46.529%0.2924%0.236SC..Hα-helixtrans-60.7-45.4174.8-70.8-179.4-12.900112.2F1031 L1033 L1038 H1039 L1068F1031-Q1035 WeakPolarHBondContact O-CG 3.41Å; F1031-Q1035 PolarHBondContact O-N 2.87Å; L1033-Q1035 PolarHBondContact O-N 2.88Å; Q1035-L1038 PolarHBondContact O-N 2.8Å; Q1035-H1039 PolarHBondContact O-CD2 3.48Å; Q1035-H1039 PolarHBondContact O-N 2.58Å; Q1035-L1068 HydrophobicContact CG-CD1 3.96Å; Q1035-L1068 HydrophobicContact CG-CD2 4.1Å
1036R88.9Confident87.8Confident159 Ų15946.5 Ų46.560%0.624%0.236SC*.Hα-helixtrans-62.7-43.2178.1-76.3174.8-177.5177.90.2112.4L1032 L1033 A1034 L1038 H1039 A1040L1032-R1036 WeakPolarHBondContact O-CB 3.33Å; L1032-R1036 VanDerWaalsContact O-CG 3.29Å; L1032-R1036 WeakPolarHBondContact O-CG 3.32Å; L1032-R1036 PolarHBondContact O-N 2.89Å; L1033-R1036 PolarHBondContact O-N 2.92Å; A1034-R1036 PolarHBondContact O-N 2.93Å; R1036-L1038 VanDerWaalsContact C-N 3.32Å; R1036-L1038 PolarHBondContact O-N 3.45Å; R1036-H1039 PolarHBondContact O-N 3Å; R1036-A1040 VanDerWaalsContact O-CB 3.23Å; R1036-A1040 WeakPolarHBondContact O-CB 3.46Å; R1036-A1040 PolarHBondContact O-N 2.9Å
1037Q88.9Confident87.6Confident19 Ų1945.3 Ų45.39%0.08923%0.231CC..Hα-helixtrans-63.6-39.9178-72.2172.5-12.400111.5L1033 A1034 A1040 G1041 Y1042 N1045 A1046 T1049 T1141L1033-Q1037 HydrophobicContact CD1-CG 4.27Å; L1033-Q1037 HydrophobicContact CG-CG 4.41Å; L1033-Q1037 WeakPolarHBondContact O-CB 3.47Å; L1033-Q1037 VanDerWaalsContact O-CG 3.29Å; L1033-Q1037 WeakPolarHBondContact O-CG 3.46Å; L1033-Q1037 PolarHBondContact O-N 3.19Å; A1034-Q1037 PolarHBondContact O-N 3.11Å; Q1037-A1040 PolarHBondContact O-N 3.09Å; Q1037-G1041 PolarHBondContact O-N 3.31Å; Q1037-Y1042 PolarHBondContact O-N 3.27Å; Q1037-N1045 HydrophobicContact CG-CB 4.46Å; Q1037-N1045 PolarHBondContact OE1-O 2.81Å; Q1037-N1045 VanDerWaalsContact OE1-O 3.07Å; Q1037-A1046 HydrophobicContact CB-CB 3.83Å; Q1037-T1049 PolarHBondContact OE1-OG1 3.48Å; Q1037-T1141 PolarHBondContact NE2-O 2.94Å
1038L88.2Confident87.3Confident44 Ų4449.2 Ų49.223%0.2325%0.246CC..Hα-helixtrans-63.4-48.5176.3-174.863.6000111.2A1034 Q1035 R1036 A1040 G1041 A1046 A1075A1034-L1038 WeakPolarHBondContact O-CB 3.25Å; A1034-L1038 PolarHBondContact O-N 3.19Å; Q1035-L1038 PolarHBondContact O-N 2.8Å; R1036-L1038 VanDerWaalsContact C-N 3.32Å; R1036-L1038 PolarHBondContact O-N 3.45Å; L1038-A1040 VanDerWaalsContact C-N 3.32Å; L1038-A1040 PolarHBondContact O-N 3.36Å; L1038-G1041 PolarHBondContact O-N 2.76Å; L1038-G1041 VanDerWaalsContact O-N 3.15Å; L1038-A1046 HydrophobicContact CB-CB 3.93Å; L1038-A1046 HydrophobicContact CD1-CB 4.47Å; L1038-A1075 HydrophobicContact CD1-CB 3.77Å
1039H88.4Confident87.2Confident166 Ų16648.7 Ų48.777%0.76924%0.244SC*.Hα-helixtrans-66.2-31.4177.7-77.7-64.3000113.6Q1035 R1036 G1041Q1035-H1039 PolarHBondContact O-CD2 3.48Å; Q1035-H1039 PolarHBondContact O-N 2.58Å; R1036-H1039 PolarHBondContact O-N 3Å; H1039-G1041 PolarHBondContact O-N 2.85Å
1040A86.5Confident87Confident62 Ų6247.9 Ų47.951%0.51224%0.24SC..THydrogen-bonded Turntrans-75.5-0.2175.700000113.6R1036 Q1037 L1038 Y1042R1036-A1040 VanDerWaalsContact O-CB 3.23Å; R1036-A1040 WeakPolarHBondContact O-CB 3.46Å; R1036-A1040 PolarHBondContact O-N 2.9Å; Q1037-A1040 PolarHBondContact O-N 3.09Å; L1038-A1040 VanDerWaalsContact C-N 3.32Å; L1038-A1040 PolarHBondContact O-N 3.36Å; A1040-Y1042 HydrophobicContact CB-CD2 3.8Å; A1040-Y1042 HydrophobicContact CB-CE2 4.06Å
1041G83.2Confident86.8Confident55 Ų5550.3 Ų50.357%0.56725%0.253SS*.THydrogen-bonded Turntrans81.720.2177.300000114.5Q1037 L1038 H1039 P1043Q1037-G1041 PolarHBondContact O-N 3.31Å; L1038-G1041 PolarHBondContact O-N 2.76Å; L1038-G1041 VanDerWaalsContact O-N 3.15Å; H1039-G1041 PolarHBondContact O-N 2.85Å; G1041-P1043 WeakPolarHBondContact O-CD 3.49Å
1042Y87Confident86.6Confident143 Ų14351.2 Ų51.256%0.56126%0.257SS*.  trans-107.869.2175.8-59.7-71.5000111.4Q1037 A1040 E1044 N1045 A1046Q1037-Y1042 PolarHBondContact O-N 3.27Å; A1040-Y1042 HydrophobicContact CB-CD2 3.8Å; A1040-Y1042 HydrophobicContact CB-CE2 4.06Å; Y1042-E1044 VanDerWaalsContact C-N 3.28Å; Y1042-E1044 PolarHBondContact O-N 2.95Å; Y1042-N1045 PolarHBondContact O-N 2.72Å; Y1042-A1046 PolarHBondContact O-N 3.08Å
1043P83.1Confident86.5Confident37 Ų3750.1 Ų50.124%0.2425%0.252CS..Hα-helixtrans-65.4-28.6-172.228.4-36.7000113.2G1041 T1047 A1075 N1076G1041-P1043 WeakPolarHBondContact O-CD 3.49Å; P1043-T1047 WeakPolarHBondContact O-CB 3.42Å; P1043-T1047 PolarHBondContact O-N 3.21Å; P1043-T1047 PolarHBondContact O-OG1 2.86Å; P1043-A1075 HydrophobicContact CB-CB 4.08Å; P1043-N1076 HydrophobicContact CB-CB 4.07Å
1044E83Confident86.3Confident82 Ų8255.4 Ų55.438%0.38327%0.27SS..Hα-helixtrans-65.3-47.2176.2-172.8-177166.600111.8Y1042 T1047 R1048Y1042-E1044 VanDerWaalsContact C-N 3.28Å; Y1042-E1044 PolarHBondContact O-N 2.95Å; E1044-T1047 PolarHBondContact O-N 2.85Å; E1044-R1048 PolarHBondContact O-N 2.78Å; E1044-R1048 VanDerWaalsContact O-N 3.17Å; E1044-R1048 IonicContact OE1-CZ 3.71Å; E1044-R1048 VanDerWaalsContact OE1-CZ 3.31Å; E1044-R1048 IonicContact OE1-NH1 3.71Å; E1044-R1048 PolarHBondContact OE1-NH1 2.78Å; E1044-R1048 IonicContact OE1-NH2 3.43Å; E1044-R1048 PolarHBondContact OE1-NH2 2.74Å
1045N83.7Confident86.1Confident32 Ų3259.3 Ų59.317%0.17129%0.288CS..Hα-helixtrans-65.7-43.4176.8-69.7-23.9000110.8Q1037 Y1042 T1047 R1048 T1049 R1143Q1037-N1045 HydrophobicContact CG-CB 4.46Å; Q1037-N1045 PolarHBondContact OE1-O 2.81Å; Q1037-N1045 VanDerWaalsContact OE1-O 3.07Å; Y1042-N1045 PolarHBondContact O-N 2.72Å; N1045-T1047 VanDerWaalsContact C-N 3.3Å; N1045-T1047 PolarHBondContact O-N 2.89Å; N1045-R1048 PolarHBondContact O-N 3.35Å; N1045-T1049 PolarHBondContact O-N 3.37Å; N1045-T1049 PolarHBondContact O-OG1 2.71Å; N1045-T1049 VanDerWaalsContact O-OG1 3.06Å; N1045-R1143 PolarHBondContact OD1-NE 3.41Å; N1045-R1143 PolarHBondContact OD1-NH2 2.96Å
1046A85.9Confident86Confident0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-59-41.9177.600000111.9Q1037 L1038 Y1042 T1049 A1050 C1072Q1037-A1046 HydrophobicContact CB-CB 3.83Å; L1038-A1046 HydrophobicContact CB-CB 3.93Å; L1038-A1046 HydrophobicContact CD1-CB 4.47Å; Y1042-A1046 PolarHBondContact O-N 3.08Å; A1046-T1049 PolarHBondContact O-N 3Å; A1046-A1050 WeakPolarHBondContact O-CB 3.32Å; A1046-A1050 PolarHBondContact O-N 3.34Å; A1046-C1072 HydrophobicContact CB-CB 4.34Å
1047T85.5Confident85.8Confident4 Ų453 Ų533%0.02527%0.265CS..Hα-helixtrans-65.2-40177.8-54.10000111.8P1043 E1044 N1045 A1050 L1051 L1069 C1072 N1076P1043-T1047 WeakPolarHBondContact O-CB 3.42Å; P1043-T1047 PolarHBondContact O-N 3.21Å; P1043-T1047 PolarHBondContact O-OG1 2.86Å; E1044-T1047 PolarHBondContact O-N 2.85Å; N1045-T1047 VanDerWaalsContact C-N 3.3Å; N1045-T1047 PolarHBondContact O-N 2.89Å; T1047-A1050 PolarHBondContact O-N 2.88Å; T1047-L1051 WeakPolarHBondContact O-CG 3.34Å; T1047-L1051 PolarHBondContact O-N 2.84Å; T1047-L1069 HydrophobicContact CG2-CD1 4.41Å; T1047-C1072 VanDerWaalsContact OG1-C 3.23Å; T1047-C1072 PolarHBondContact OG1-O 3.34Å; T1047-C1072 VanDerWaalsContact OG1-O 3.07Å; T1047-N1076 WeakPolarHBondContact OG1-CB 3.29Å
1048R83.6Confident85.5Confident83 Ų8357.1 Ų57.131%0.31329%0.288SS..Hα-helixtrans-66.3-46.2175.6-71.6-176.7179.9143.311.3112.4E1044 N1045 A1050 L1051 H1052E1044-R1048 PolarHBondContact O-N 2.78Å; E1044-R1048 VanDerWaalsContact O-N 3.17Å; E1044-R1048 IonicContact OE1-CZ 3.71Å; E1044-R1048 VanDerWaalsContact OE1-CZ 3.31Å; E1044-R1048 IonicContact OE1-NH1 3.71Å; E1044-R1048 PolarHBondContact OE1-NH1 2.78Å; E1044-R1048 IonicContact OE1-NH2 3.43Å; E1044-R1048 PolarHBondContact OE1-NH2 2.74Å; N1045-R1048 PolarHBondContact O-N 3.35Å; R1048-A1050 VanDerWaalsContact C-N 3.3Å; R1048-A1050 PolarHBondContact O-N 3.38Å; R1048-L1051 WeakPolarHBondContact O-CB 3.13Å; R1048-L1051 PolarHBondContact O-N 3.38Å; R1048-L1051 VanDerWaalsContact O-N 3.15Å; R1048-H1052 PolarHBondContact O-N 2.81Å; R1048-H1052 VanDerWaalsContact O-N 3.15Å
1049T86.6Confident85.3Confident1 Ų156.6 Ų56.61%0.00629%0.287CS..Hα-helixtrans-61.8-40.7176-52.60000110.8F1030 L1033 A1034 Q1037 N1045 A1046 L1051 H1052 L1053 T1141F1030-T1049 HydrophobicContact CB-CG2 4.23Å; F1030-T1049 HydrophobicContact CD1-CG2 4.13Å; F1030-T1049 WeakPolarHBondContact O-CG2 3.45Å; L1033-T1049 HydrophobicContact CB-CG2 4.24Å; L1033-T1049 HydrophobicContact CD2-CG2 4.13Å; L1033-T1049 HydrophobicContact CG-CG2 4.22Å; A1034-T1049 HydrophobicContact CB-CG2 3.92Å; Q1037-T1049 PolarHBondContact OE1-OG1 3.48Å; N1045-T1049 PolarHBondContact O-N 3.37Å; N1045-T1049 PolarHBondContact O-OG1 2.71Å; N1045-T1049 VanDerWaalsContact O-OG1 3.06Å; A1046-T1049 PolarHBondContact O-N 3Å; T1049-L1051 VanDerWaalsContact C-N 3.33Å; T1049-L1051 PolarHBondContact O-N 3.23Å; T1049-H1052 WeakPolarHBondContact O-CB 3.44Å; T1049-H1052 PolarHBondContact O-N 2.78Å; T1049-L1053 PolarHBondContact O-N 2.9Å; T1049-T1141 PolarHBondContact OG1-O 2.77Å
1050A86.6Confident85.1Confident0 Ų048.8 Ų48.80%025%0.25CS..Hα-helixtrans-66.6-31175.400000113.3A1034 A1046 T1047 R1048 H1052 L1053 L1069 C1072A1034-A1050 HydrophobicContact CB-CB 4.42Å; A1046-A1050 WeakPolarHBondContact O-CB 3.32Å; A1046-A1050 PolarHBondContact O-N 3.34Å; T1047-A1050 PolarHBondContact O-N 2.88Å; R1048-A1050 VanDerWaalsContact C-N 3.3Å; R1048-A1050 PolarHBondContact O-N 3.38Å; A1050-H1052 VanDerWaalsContact C-N 3.35Å; A1050-L1053 WeakPolarHBondContact O-CB 3.37Å; A1050-L1053 PolarHBondContact O-N 2.83Å; A1050-L1069 HydrophobicContact CB-CB 4.28Å; A1050-L1069 HydrophobicContact CB-CD1 3.91Å; A1050-C1072 HydrophobicContact CB-CB 4.42Å
1051L85.6Confident85.2Confident51 Ų5148.9 Ų48.927%0.26725%0.246SC..Hα-helixtrans-66.3-37.9172.5-79.9168.2000111.9T1047 R1048 T1049 L1053 R1054 L1069 T1081T1047-L1051 WeakPolarHBondContact O-CG 3.34Å; T1047-L1051 PolarHBondContact O-N 2.84Å; R1048-L1051 WeakPolarHBondContact O-CB 3.13Å; R1048-L1051 PolarHBondContact O-N 3.38Å; R1048-L1051 VanDerWaalsContact O-N 3.15Å; T1049-L1051 VanDerWaalsContact C-N 3.33Å; T1049-L1051 PolarHBondContact O-N 3.23Å; L1051-L1053 VanDerWaalsContact C-N 3.28Å; L1051-L1053 PolarHBondContact O-N 2.81Å; L1051-R1054 WeakPolarHBondContact O-CB 3.29Å; L1051-R1054 WeakPolarHBondContact O-CG 3.4Å; L1051-R1054 PolarHBondContact O-N 2.93Å; L1051-L1069 HydrophobicContact CD2-CD1 3.85Å; L1051-L1069 HydrophobicContact CD2-CD2 4.03Å; L1051-L1069 HydrophobicContact CG-CD1 3.81Å; L1051-T1081 HydrophobicContact CD2-CG2 4.02Å
1052H85.3Confident85.3Confident31 Ų3147.1 Ų47.114%0.14423%0.226CC..Hα-helixtrans-66.4-31177.1-172.846.9000112.3F1030 R1048 T1049 A1050 R1054 E1055 T1137F1030-H1052 AromaticContact CD2-CD2 3.79Å; F1030-H1052 AromaticContact CE2-CD2 3.66Å; F1030-H1052 AromaticContact CE2-NE2 3.63Å; R1048-H1052 PolarHBondContact O-N 2.81Å; R1048-H1052 VanDerWaalsContact O-N 3.15Å; T1049-H1052 WeakPolarHBondContact O-CB 3.44Å; T1049-H1052 PolarHBondContact O-N 2.78Å; A1050-H1052 VanDerWaalsContact C-N 3.35Å; H1052-R1054 PolarHBondContact O-N 3.05Å; H1052-E1055 IonicContact CE1-OE2 3.78Å; H1052-E1055 PolarHBondContact CE1-OE2 2.84Å; H1052-E1055 IonicContact ND1-OE2 2.99Å; H1052-E1055 PolarHBondContact O-N 2.82Å; H1052-E1055 VanDerWaalsContact O-N 3.07Å; H1052-T1137 PolarHBondContact CE1-OG1 3.44Å; H1052-T1137 PolarHBondContact NE2-OG1 3.23Å
1053L87.4Confident85.4Confident0 Ų041.7 Ų41.70%021%0.207CC..G310 helixtrans-58.9-19178.2-74.4170.1000114.5A1027 F1030 F1031 A1034 T1049 A1050 L1051 E1055 Y1056 I1065 L1068A1027-L1053 WeakPolarHBondContact O-CD2 3.22Å; F1030-L1053 HydrophobicContact CB-CD2 3.59Å; F1030-L1053 HydrophobicContact CB-CG 4.21Å; F1031-L1053 HydrophobicContact CB-CD1 4.26Å; F1031-L1053 HydrophobicContact CB-CD2 4.21Å; F1031-L1053 HydrophobicContact CD2-CD1 4.09Å; A1034-L1053 HydrophobicContact CB-CD1 4.34Å; T1049-L1053 PolarHBondContact O-N 2.9Å; A1050-L1053 WeakPolarHBondContact O-CB 3.37Å; A1050-L1053 PolarHBondContact O-N 2.83Å; L1051-L1053 VanDerWaalsContact C-N 3.28Å; L1051-L1053 PolarHBondContact O-N 2.81Å; L1053-E1055 PolarHBondContact O-N 2.95Å; L1053-E1055 VanDerWaalsContact O-N 3.12Å; L1053-Y1056 HydrophobicContact CD2-CD2 4.46Å; L1053-Y1056 PolarHBondContact O-N 2.9Å; L1053-I1065 HydrophobicContact CB-CG1 4.46Å; L1053-I1065 HydrophobicContact CB-CG2 3.78Å; L1053-I1065 WeakPolarHBondContact O-CD1 3.44Å; L1053-L1068 HydrophobicContact CD1-CD2 4.11Å
1054R85.9Confident85.6Confident132 Ų13242.3 Ų42.350%0.49821%0.207SC..G310 helixtrans-58.2-21.8173.8-68.617446.1-155.6-15.8113.7L1051 H1052 Y1056 Y1066L1051-R1054 WeakPolarHBondContact O-CB 3.29Å; L1051-R1054 WeakPolarHBondContact O-CG 3.4Å; L1051-R1054 PolarHBondContact O-N 2.93Å; H1052-R1054 PolarHBondContact O-N 3.05Å; R1054-Y1056 PolarHBondContact O-N 2.76Å; R1054-Y1066 HydrophobicContact CG-CE1 3.99Å
1055E84.5Confident85.9Confident82 Ų8238.4 Ų38.438%0.38319%0.189SC..G310 helixtrans-76.8-5.8176.5-58.9-161.9146.700113.6R1023 H1052 L1053 K1134R1023-E1055 PolarHBondContact NH2-O 3Å; H1052-E1055 IonicContact CE1-OE2 3.78Å; H1052-E1055 PolarHBondContact CE1-OE2 2.84Å; H1052-E1055 IonicContact ND1-OE2 2.99Å; H1052-E1055 PolarHBondContact O-N 2.82Å; H1052-E1055 VanDerWaalsContact O-N 3.07Å; L1053-E1055 PolarHBondContact O-N 2.95Å; L1053-E1055 VanDerWaalsContact O-N 3.12Å; E1055-K1134 IonicContact OE1-NZ 3.57Å; E1055-K1134 PolarHBondContact OE1-NZ 3.26Å; E1055-K1134 IonicContact OE2-NZ 3.78Å
1056Y87.6Confident86.2Confident7 Ų737.7 Ų37.73%0.02718%0.184CC..G310 helixtrans-11927.5-174.3-57.3-84.7000113.7R1023 E1026 A1027 F1030 L1053 R1054 D1058 V1059 I1060R1023-Y1056 HydrophobicContact CG-CD1 4.22Å; R1023-Y1056 HydrophobicContact CG-CE1 4.16Å; E1026-Y1056 HydrophobicContact CB-CE1 4.29Å; E1026-Y1056 HydrophobicContact CG-CE1 4.11Å; E1026-Y1056 WeakPolarHBondContact CG-OH 3.45Å; E1026-Y1056 PolarHBondContact OE1-OH 2.86Å; E1026-Y1056 VanDerWaalsContact OE1-OH 3.11Å; E1026-Y1056 PolarHBondContact OE2-OH 3.17Å; A1027-Y1056 HydrophobicContact CB-CD1 3.62Å; A1027-Y1056 HydrophobicContact CB-CE1 4.42Å; A1027-Y1056 HydrophobicContact CB-CG 3.7Å; F1030-Y1056 HydrophobicContact CD2-CE2 4.13Å; L1053-Y1056 HydrophobicContact CD2-CD2 4.46Å; L1053-Y1056 PolarHBondContact O-N 2.9Å; R1054-Y1056 PolarHBondContact O-N 2.76Å; Y1056-D1058 WeakPolarHBondContact CA-OD1 3.4Å; Y1056-D1058 PolarHBondContact O-N 3.11Å; Y1056-D1058 VanDerWaalsContact O-N 3.15Å; Y1056-V1059 PolarHBondContact O-N 3.06Å; Y1056-I1060 PolarHBondContact O-N 3.15Å
1057E84.9Confident86.4Confident81 Ų8139 Ų3938%0.37919%0.193SC..THydrogen-bonded Turntrans-59.5-19.6173.5-71.4-178.4-170.900113.1A1062 I1065 Y1066E1057-A1062 HydrophobicContact CG-CB 4.39Å; E1057-I1065 HydrophobicContact CG-CD1 4.17Å; E1057-Y1066 HydrophobicContact CG-CE2 4.49Å; E1057-Y1066 WeakPolarHBondContact OE1-CE2 3.36Å; E1057-Y1066 PolarHBondContact OE1-OH 2.8Å
1058D82.1Confident86.6Confident107 Ų10739.4 Ų39.457%0.57220%0.195SC*.THydrogen-bonded Turntrans-75.5-20.7175.260.4-49.6000113.7R1023 Y1056R1023-D1058 IonicContact CZ-OD1 3.35Å; R1023-D1058 IonicContact CZ-OD2 2.74Å; R1023-D1058 IonicContact NE-OD1 3.69Å; R1023-D1058 IonicContact NE-OD2 3.77Å; R1023-D1058 PolarHBondContact NE-OD2 2.82Å; R1023-D1058 IonicContact NH2-OD1 3.68Å; R1023-D1058 PolarHBondContact NH2-OD1 2.83Å; R1023-D1058 IonicContact NH2-OD2 3.78Å; R1023-D1058 PolarHBondContact NH2-OD2 3.48Å; Y1056-D1058 WeakPolarHBondContact CA-OD1 3.4Å; Y1056-D1058 PolarHBondContact O-N 3.11Å; Y1056-D1058 VanDerWaalsContact O-N 3.15Å
1059V84.1Confident86.9Confident33 Ų3335.7 Ų35.720%0.218%0.181CC..THydrogen-bonded Turntrans-110.1-46-176.6-179.40000112.1R1023 A1027 Y1028 Y1056R1023-V1059 HydrophobicContact CG-CG2 4.48Å; A1027-V1059 HydrophobicContact CB-CB 3.95Å; A1027-V1059 HydrophobicContact CB-CG1 3.84Å; A1027-V1059 HydrophobicContact CB-CG2 4.45Å; Y1028-V1059 HydrophobicContact CD2-CG1 4.27Å; Y1028-V1059 HydrophobicContact CE2-CG1 3.93Å; Y1056-V1059 PolarHBondContact O-N 3.06Å
1060I86.1Confident86.9Confident1 Ų136 Ų361%0.00518%0.184CC..SBendtrans-107.8132.9-179.4-60.7176.7000108.1A1027 Y1028 F1031 Y1056 A1062 E1064 I1065A1027-I1060 HydrophobicContact CB-CD1 3.95Å; A1027-I1060 HydrophobicContact CB-CG1 4.16Å; Y1028-I1060 HydrophobicContact CD1-CD1 4.28Å; Y1028-I1060 HydrophobicContact CD2-CD1 4.49Å; Y1028-I1060 HydrophobicContact CD2-CG1 4.38Å; Y1028-I1060 HydrophobicContact CE1-CD1 4.39Å; Y1028-I1060 HydrophobicContact CE1-CG1 4.29Å; Y1028-I1060 HydrophobicContact CE2-CG1 4.03Å; Y1028-I1060 HydrophobicContact CG-CD1 4.34Å; F1031-I1060 HydrophobicContact CB-CD1 3.74Å; F1031-I1060 HydrophobicContact CD2-CD1 4.15Å; F1031-I1060 HydrophobicContact CD2-CG2 4.48Å; F1031-I1060 HydrophobicContact CG-CD1 4.03Å; Y1056-I1060 PolarHBondContact O-N 3.15Å; I1060-A1062 PolarHBondContact O-N 2.8Å; I1060-E1064 HydrophobicContact CG2-CB 4.07Å; I1060-I1065 HydrophobicContact CB-CD1 4.04Å; I1060-I1065 HydrophobicContact CB-CG1 4.09Å; I1060-I1065 HydrophobicContact CG2-CD1 4.31Å; I1060-I1065 HydrophobicContact CG2-CG1 3.84Å; I1060-I1065 WeakPolarHBondContact O-CD1 3.37Å
1061P87.1Confident87.1Confident65 Ų6541.3 Ų41.342%0.42221%0.212SC..  trans-52.7131178.6-25.834.1000111.9V1063 E1064 I1065P1061-V1063 PolarHBondContact O-N 2.88Å; P1061-E1064 HydrophobicContact CB-CG 4.47Å; P1061-E1064 PolarHBondContact O-N 3.3Å; P1061-I1065 PolarHBondContact O-N 3.35Å
1062A86.3Confident87.2Confident17 Ų1738.9 Ų38.914%0.1420%0.199CC..Hα-helixtrans-51.3-36.9-178.300000112.6E1057 I1060 E1064 I1065 Y1066 L1092E1057-A1062 HydrophobicContact CG-CB 4.39Å; I1060-A1062 PolarHBondContact O-N 2.8Å; A1062-E1064 VanDerWaalsContact C-N 3.29Å; A1062-E1064 PolarHBondContact O-N 2.94Å; A1062-I1065 PolarHBondContact O-N 2.79Å; A1062-Y1066 HydrophobicContact CB-CD2 4.09Å; A1062-Y1066 HydrophobicContact CB-CE2 4.14Å; A1062-Y1066 WeakPolarHBondContact O-CD2 3.49Å; A1062-Y1066 PolarHBondContact O-N 2.9Å; A1062-L1092 HydrophobicContact CB-CD1 4.13Å; A1062-L1092 HydrophobicContact CB-CD2 4.08Å
1063V88.1Confident87.3Confident29 Ų2937.4 Ų37.418%0.17619%0.192CC..Hα-helixtrans-54.1-44176.6-1780000111.7P1061 S1067 L1089 L1092 L1095P1061-V1063 PolarHBondContact O-N 2.88Å; V1063-S1067 WeakPolarHBondContact O-CB 3.47Å; V1063-S1067 PolarHBondContact O-N 3.29Å; V1063-S1067 PolarHBondContact O-OG 2.73Å; V1063-L1089 HydrophobicContact CG1-CD2 4.32Å; V1063-L1092 HydrophobicContact CB-CD1 4.46Å; V1063-L1092 HydrophobicContact CG2-CD1 3.68Å; V1063-L1095 HydrophobicContact CG1-CD2 4Å; V1063-L1095 HydrophobicContact CG2-CD1 4.25Å; V1063-L1095 HydrophobicContact CG2-CD2 3.73Å; V1063-L1095 HydrophobicContact CG2-CG 3.94Å
1064E87.6Confident87.2Confident50 Ų5039.1 Ų39.123%0.23421%0.206CC..Hα-helixtrans-71.5-41.2-178.8-62.7-166.8156.200112.1M959 F1031 I1060 P1061 A1062 L1068M959-E1064 WeakPolarHBondContact CE-OE1 3.22Å; F1031-E1064 HydrophobicContact CE2-CB 4.18Å; F1031-E1064 HydrophobicContact CZ-CB 4.39Å; I1060-E1064 HydrophobicContact CG2-CB 4.07Å; P1061-E1064 HydrophobicContact CB-CG 4.47Å; P1061-E1064 PolarHBondContact O-N 3.3Å; A1062-E1064 VanDerWaalsContact C-N 3.29Å; A1062-E1064 PolarHBondContact O-N 2.94Å; E1064-L1068 WeakPolarHBondContact O-CB 3.48Å; E1064-L1068 PolarHBondContact O-N 2.88Å
1065I89.3Confident87.2Confident0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-61-52.2178-63.9166.2000109.8L1053 E1057 I1060 P1061 A1062 L1068 L1069L1053-I1065 HydrophobicContact CB-CG1 4.46Å; L1053-I1065 HydrophobicContact CB-CG2 3.78Å; L1053-I1065 WeakPolarHBondContact O-CD1 3.44Å; E1057-I1065 HydrophobicContact CG-CD1 4.17Å; I1060-I1065 HydrophobicContact CB-CD1 4.04Å; I1060-I1065 HydrophobicContact CB-CG1 4.09Å; I1060-I1065 HydrophobicContact CG2-CD1 4.31Å; I1060-I1065 HydrophobicContact CG2-CG1 3.84Å; I1060-I1065 WeakPolarHBondContact O-CD1 3.37Å; P1061-I1065 PolarHBondContact O-N 3.35Å; A1062-I1065 PolarHBondContact O-N 2.79Å; I1065-L1068 PolarHBondContact O-N 2.89Å; I1065-L1069 WeakPolarHBondContact O-CB 3.28Å; I1065-L1069 PolarHBondContact O-N 2.89Å
1066Y90.1Very high87.2Confident17 Ų1733.5 Ų33.57%0.06720%0.196CC..Hα-helixtrans-73.3-29.5-176.5-70.6-71.8000112.6R1054 E1057 A1062 L1069 A1070 A1085 K1088R1054-Y1066 HydrophobicContact CG-CE1 3.99Å; E1057-Y1066 HydrophobicContact CG-CE2 4.49Å; E1057-Y1066 WeakPolarHBondContact OE1-CE2 3.36Å; E1057-Y1066 PolarHBondContact OE1-OH 2.8Å; A1062-Y1066 HydrophobicContact CB-CD2 4.09Å; A1062-Y1066 HydrophobicContact CB-CE2 4.14Å; A1062-Y1066 WeakPolarHBondContact O-CD2 3.49Å; A1062-Y1066 PolarHBondContact O-N 2.9Å; Y1066-L1069 HydrophobicContact CD1-CD2 4.13Å; Y1066-L1069 HydrophobicContact CE1-CD2 4.4Å; Y1066-L1069 PolarHBondContact O-N 2.86Å; Y1066-A1070 VanDerWaalsContact O-CB 3.32Å; Y1066-A1070 WeakPolarHBondContact O-CB 3.28Å; Y1066-A1070 PolarHBondContact O-N 2.77Å; Y1066-A1085 HydrophobicContact CD1-CB 4.43Å; Y1066-K1088 HydrophobicContact CD1-CB 3.99Å; Y1066-K1088 HydrophobicContact CD1-CG 3.97Å; Y1066-K1088 HydrophobicContact CD2-CB 4.42Å; Y1066-K1088 HydrophobicContact CD2-CG 3.69Å; Y1066-K1088 HydrophobicContact CE1-CB 4.08Å; Y1066-K1088 HydrophobicContact CE1-CG 3.77Å; Y1066-K1088 HydrophobicContact CE2-CD 4.45Å; Y1066-K1088 HydrophobicContact CE2-CG 3.53Å; Y1066-K1088 HydrophobicContact CG-CB 4.19Å; Y1066-K1088 HydrophobicContact CG-CG 3.95Å
1067S89.4Confident86.9Confident28 Ų2841.8 Ų41.820%0.19623%0.227CC..Hα-helixtrans-65.1-45.5170.7-620000111.5V1063 L1069 A1070 L1071V1063-S1067 WeakPolarHBondContact O-CB 3.47Å; V1063-S1067 PolarHBondContact O-N 3.29Å; V1063-S1067 PolarHBondContact O-OG 2.73Å; S1067-L1069 VanDerWaalsContact C-N 3.33Å; S1067-L1069 PolarHBondContact O-N 3.32Å; S1067-A1070 PolarHBondContact O-N 2.82Å; S1067-L1071 WeakPolarHBondContact O-CG 3.41Å; S1067-L1071 PolarHBondContact O-N 3.05Å
1068L89.8Confident86.9Confident12 Ų1238.2 Ų38.26%0.06321%0.211CC..Hα-helixtrans-64.3-39.8176-177.760.8000111.4F1031 A1034 Q1035 L1053 E1064 I1065 L1071 C1072F1031-L1068 HydrophobicContact CD2-CD2 3.81Å; F1031-L1068 HydrophobicContact CE2-CB 4.48Å; F1031-L1068 HydrophobicContact CE2-CD2 3.81Å; A1034-L1068 HydrophobicContact CB-CD2 3.87Å; Q1035-L1068 HydrophobicContact CG-CD1 3.96Å; Q1035-L1068 HydrophobicContact CG-CD2 4.1Å; L1053-L1068 HydrophobicContact CD1-CD2 4.11Å; E1064-L1068 WeakPolarHBondContact O-CB 3.48Å; E1064-L1068 PolarHBondContact O-N 2.88Å; I1065-L1068 PolarHBondContact O-N 2.89Å; L1068-L1071 PolarHBondContact O-N 2.97Å; L1068-C1072 WeakPolarHBondContact O-CB 3.34Å; L1068-C1072 PolarHBondContact O-N 2.83Å; L1068-C1072 PolarHBondContact O-SG 2.82Å
1069L89.9Confident87Confident5 Ų534.3 Ų34.33%0.02619%0.189CC..Hα-helixtrans-63.8-43.3175.2179.760.8000111.9T1047 A1050 L1051 I1065 Y1066 S1067 L1071 C1072 S1073 T1081 A1085T1047-L1069 HydrophobicContact CG2-CD1 4.41Å; A1050-L1069 HydrophobicContact CB-CB 4.28Å; A1050-L1069 HydrophobicContact CB-CD1 3.91Å; L1051-L1069 HydrophobicContact CD2-CD1 3.85Å; L1051-L1069 HydrophobicContact CD2-CD2 4.03Å; L1051-L1069 HydrophobicContact CG-CD1 3.81Å; I1065-L1069 WeakPolarHBondContact O-CB 3.28Å; I1065-L1069 PolarHBondContact O-N 2.89Å; Y1066-L1069 HydrophobicContact CD1-CD2 4.13Å; Y1066-L1069 HydrophobicContact CE1-CD2 4.4Å; Y1066-L1069 PolarHBondContact O-N 2.86Å; S1067-L1069 VanDerWaalsContact C-N 3.33Å; S1067-L1069 PolarHBondContact O-N 3.32Å; L1069-L1071 VanDerWaalsContact C-N 3.34Å; L1069-L1071 PolarHBondContact O-N 3.3Å; L1069-C1072 PolarHBondContact O-N 2.88Å; L1069-S1073 VanDerWaalsContact O-CB 3.24Å; L1069-S1073 WeakPolarHBondContact O-CB 3.39Å; L1069-S1073 PolarHBondContact O-N 2.81Å; L1069-S1073 PolarHBondContact O-OG 3.08Å; L1069-T1081 HydrophobicContact CD1-CG2 4.29Å; L1069-A1085 HydrophobicContact CB-CB 4.39Å; L1069-A1085 HydrophobicContact CD2-CB 4.1Å; L1069-A1085 HydrophobicContact CG-CB 4.09Å
1070A88.3Confident87Confident7 Ų733.3 Ų33.36%0.05819%0.185CC..Hα-helixtrans-60.5-43.7175.800000111.3Y1066 S1067 S1073 A1074 C1082 A1085 F1086Y1066-A1070 VanDerWaalsContact O-CB 3.32Å; Y1066-A1070 WeakPolarHBondContact O-CB 3.28Å; Y1066-A1070 PolarHBondContact O-N 2.77Å; S1067-A1070 PolarHBondContact O-N 2.82Å; A1070-S1073 WeakPolarHBondContact CA-OG 3.04Å; A1070-S1073 PolarHBondContact O-OG 2.88Å; A1070-A1074 VanDerWaalsContact O-CB 3.24Å; A1070-A1074 WeakPolarHBondContact O-CB 3.27Å; A1070-A1074 PolarHBondContact O-N 3.24Å; A1070-C1082 PolarHBondContact O-SG 2.99Å; A1070-C1082 VanDerWaalsContact O-SG 3.38Å; A1070-A1085 HydrophobicContact CB-CB 4.03Å; A1070-F1086 HydrophobicContact CB-CD2 4.23Å; A1070-F1086 HydrophobicContact CB-CE2 3.89Å; A1070-F1086 HydrophobicContact CB-CZ 4.33Å
1071L89.6Confident86.9Confident113 Ų11334.1 Ų34.159%0.59219%0.19SC*.Hα-helixtrans-64.7-48.1176.4-71.2171.3000112.7S1067 L1068 L1069 S1073 A1074 A1075S1067-L1071 WeakPolarHBondContact O-CG 3.41Å; S1067-L1071 PolarHBondContact O-N 3.05Å; L1068-L1071 PolarHBondContact O-N 2.97Å; L1069-L1071 VanDerWaalsContact C-N 3.34Å; L1069-L1071 PolarHBondContact O-N 3.3Å; L1071-S1073 PolarHBondContact O-N 2.97Å; L1071-A1074 PolarHBondContact O-N 2.86Å; L1071-A1075 WeakPolarHBondContact O-CB 3.26Å; L1071-A1075 PolarHBondContact O-N 3.2Å
1072C88.3Confident86.9Confident0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-62.7-44.9179.8-66.70000111.2A1046 T1047 A1050 L1068 L1069 A1075 N1076A1046-C1072 HydrophobicContact CB-CB 4.34Å; T1047-C1072 VanDerWaalsContact OG1-C 3.23Å; T1047-C1072 PolarHBondContact OG1-O 3.34Å; T1047-C1072 VanDerWaalsContact OG1-O 3.07Å; A1050-C1072 HydrophobicContact CB-CB 4.42Å; L1068-C1072 WeakPolarHBondContact O-CB 3.34Å; L1068-C1072 PolarHBondContact O-N 2.83Å; L1068-C1072 PolarHBondContact O-SG 2.82Å; L1069-C1072 PolarHBondContact O-N 2.88Å; C1072-A1075 PolarHBondContact O-N 3.33Å; C1072-N1076 WeakPolarHBondContact O-CB 3.42Å; C1072-N1076 PolarHBondContact O-N 2.82Å
1073S87.2Confident86.9Confident0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-68.9-34.9-179.957.70000112.9L1069 A1070 L1071 N1076 R1077 S1078 C1082L1069-S1073 VanDerWaalsContact O-CB 3.24Å; L1069-S1073 WeakPolarHBondContact O-CB 3.39Å; L1069-S1073 PolarHBondContact O-N 2.81Å; L1069-S1073 PolarHBondContact O-OG 3.08Å; A1070-S1073 WeakPolarHBondContact CA-OG 3.04Å; A1070-S1073 PolarHBondContact O-OG 2.88Å; L1071-S1073 PolarHBondContact O-N 2.97Å; S1073-N1076 PolarHBondContact O-N 2.94Å; S1073-R1077 PolarHBondContact O-N 3.15Å; S1073-R1077 VanDerWaalsContact O-N 3.15Å; S1073-S1078 WeakPolarHBondContact CA-OG 3.42Å; S1073-S1078 WeakPolarHBondContact CB-OG 3.19Å; S1073-S1078 PolarHBondContact O-N 3.07Å; S1073-S1078 PolarHBondContact O-OG 3.17Å; S1073-S1078 VanDerWaalsContact O-OG 3.08Å; S1073-C1082 WeakPolarHBondContact OG-CA 3.45Å; S1073-C1082 VanDerWaalsContact OG-CB 3.23Å; S1073-C1082 WeakPolarHBondContact OG-CB 3.34Å; S1073-C1082 PolarHBondContact OG-N 2.99Å
1074A85.3Confident86.9Confident35 Ų3537.1 Ų37.129%0.28919%0.194SC..Hα-helixtrans-64.2-44.5171.200000111.5A1070 L1071 N1076 R1077A1070-A1074 VanDerWaalsContact O-CB 3.24Å; A1070-A1074 WeakPolarHBondContact O-CB 3.27Å; A1070-A1074 PolarHBondContact O-N 3.24Å; L1071-A1074 PolarHBondContact O-N 2.86Å; A1074-N1076 VanDerWaalsContact C-N 3.3Å; A1074-N1076 PolarHBondContact O-N 2.85Å; A1074-R1077 PolarHBondContact O-N 2.86Å; A1074-R1077 VanDerWaalsContact O-N 3.09Å
1075A85Confident86.9Confident54 Ų5434.8 Ų34.845%0.44618%0.183SC..Hα-helixtrans-63.4-35.617600000112.5L1038 P1043 L1071 C1072 R1077L1038-A1075 HydrophobicContact CD1-CB 3.77Å; P1043-A1075 HydrophobicContact CB-CB 4.08Å; L1071-A1075 WeakPolarHBondContact O-CB 3.26Å; L1071-A1075 PolarHBondContact O-N 3.2Å; C1072-A1075 PolarHBondContact O-N 3.33Å; A1075-R1077 PolarHBondContact O-N 2.87Å
1076N84.7Confident86.8Confident42 Ų4235.2 Ų35.223%0.22519%0.185CC..THydrogen-bonded Turntrans-78.3-2.6175.7-165.841000113.7P1043 T1047 C1072 S1073 A1074 S1078P1043-N1076 HydrophobicContact CB-CB 4.07Å; T1047-N1076 WeakPolarHBondContact OG1-CB 3.29Å; C1072-N1076 WeakPolarHBondContact O-CB 3.42Å; C1072-N1076 PolarHBondContact O-N 2.82Å; S1073-N1076 PolarHBondContact O-N 2.94Å; A1074-N1076 VanDerWaalsContact C-N 3.3Å; A1074-N1076 PolarHBondContact O-N 2.85Å; N1076-S1078 PolarHBondContact O-N 2.9Å
1077R82.6Confident86.7Confident182 Ų18239 Ų3969%0.68721%0.206SC*.THydrogen-bonded Turntrans55.625.8-172.7-54.5-179.3177.7-175.6-1.3113.6S1073 A1074 A1075 F1079S1073-R1077 PolarHBondContact O-N 3.15Å; S1073-R1077 VanDerWaalsContact O-N 3.15Å; A1074-R1077 PolarHBondContact O-N 2.86Å; A1074-R1077 VanDerWaalsContact O-N 3.09Å; A1075-R1077 PolarHBondContact O-N 2.87Å; R1077-F1079 HydrophobicContact CB-CE2 3.91Å; R1077-F1079 HydrophobicContact CB-CZ 4.45Å; R1077-F1079 HydrophobicContact CG-CE2 4.41Å; R1077-F1079 WeakPolarHBondContact O-CD2 3.17Å; R1077-F1079 PolarHBondContact O-N 2.89Å
1078S84.4Confident86.6Confident5 Ų541.4 Ų41.44%0.03521%0.213CC..BIsolated β-bridgetrans-91.474.917156.20000109S1073 N1076 G1080 T1081 C1082 D1118S1073-S1078 WeakPolarHBondContact CA-OG 3.42Å; S1073-S1078 WeakPolarHBondContact CB-OG 3.19Å; S1073-S1078 PolarHBondContact O-N 3.07Å; S1073-S1078 PolarHBondContact O-OG 3.17Å; S1073-S1078 VanDerWaalsContact O-OG 3.08Å; N1076-S1078 PolarHBondContact O-N 2.9Å; S1078-G1080 VanDerWaalsContact C-N 3.31Å; S1078-G1080 PolarHBondContact O-N 3.06Å; S1078-T1081 PolarHBondContact O-N 3.06Å; S1078-C1082 WeakPolarHBondContact O-CB 3.45Å; S1078-C1082 PolarHBondContact O-N 3.46Å; S1078-D1118 WeakPolarHBondContact CA-OD1 3.39Å; S1078-D1118 VanDerWaalsContact CB-OD1 3.3Å; S1078-D1118 WeakPolarHBondContact CB-OD1 3.25Å
1079F84.3Confident86.5Confident26 Ų2640.9 Ų40.911%0.11421%0.21CC..Hα-helixtrans-70.7-21-173.2-65.7-71.9000114.2R1077 S1083 I1110 F1111 Y1114 D1118R1077-F1079 HydrophobicContact CB-CE2 3.91Å; R1077-F1079 HydrophobicContact CB-CZ 4.45Å; R1077-F1079 HydrophobicContact CG-CE2 4.41Å; R1077-F1079 WeakPolarHBondContact O-CD2 3.17Å; R1077-F1079 PolarHBondContact O-N 2.89Å; F1079-S1083 WeakPolarHBondContact O-CB 3.47Å; F1079-S1083 PolarHBondContact O-N 3.16Å; F1079-I1110 HydrophobicContact CD1-CG2 4.33Å; F1079-I1110 HydrophobicContact CE1-CG2 4.32Å; F1079-F1111 HydrophobicContact CB-CE1 4.25Å; F1079-F1111 HydrophobicContact CD1-CE1 4.43Å; F1079-F1111 WeakPolarHBondContact O-CE1 3.16Å; F1079-Y1114 AromaticContact CE1-CD2 3.98Å; F1079-Y1114 HydrophobicContact CE1-CD2 3.98Å; F1079-Y1114 AromaticContact CE1-CG 3.88Å; F1079-Y1114 HydrophobicContact CE1-CG 3.88Å; F1079-Y1114 AromaticContact CE2-CD1 3.9Å; F1079-Y1114 HydrophobicContact CE2-CD1 3.9Å; F1079-Y1114 AromaticContact CE2-CG 3.9Å; F1079-Y1114 HydrophobicContact CE2-CG 3.9Å; F1079-Y1114 AromaticContact CZ-CD1 3.81Å; F1079-Y1114 HydrophobicContact CZ-CD1 3.81Å; F1079-Y1114 AromaticContact CZ-CD2 3.9Å; F1079-Y1114 HydrophobicContact CZ-CD2 3.9Å; F1079-Y1114 HydrophobicContact CZ-CE1 4.38Å; F1079-Y1114 HydrophobicContact CZ-CE2 4.46Å; F1079-Y1114 AromaticContact CZ-CG 3.54Å; F1079-Y1114 HydrophobicContact CZ-CG 3.54Å; F1079-D1118 PolarHBondContact N-OD1 2.99Å; F1079-D1118 VanDerWaalsContact N-OD1 3.09Å
1080G83.9Confident86.2Confident11 Ų1143.6 Ų43.611%0.11322%0.223CC..Hα-helixtrans-70.7-43.4172.400000112.1S1078 C1082 S1083 K1084 D1118S1078-G1080 VanDerWaalsContact C-N 3.31Å; S1078-G1080 PolarHBondContact O-N 3.06Å; G1080-C1082 VanDerWaalsContact C-N 3.35Å; G1080-S1083 PolarHBondContact O-N 3.22Å; G1080-K1084 PolarHBondContact O-N 2.97Å; G1080-D1118 WeakPolarHBondContact CA-OD1 3.19Å; G1080-D1118 PolarHBondContact N-OD1 3.29Å
1081T84.8Confident86.1Confident18 Ų1846.4 Ų46.411%0.1124%0.242CC..Hα-helixtrans-67.8-37.1172.6-59.30000111.6L1051 L1069 S1078 K1084 A1085 D1118L1051-T1081 HydrophobicContact CD2-CG2 4.02Å; L1069-T1081 HydrophobicContact CD1-CG2 4.29Å; S1078-T1081 PolarHBondContact O-N 3.06Å; T1081-K1084 PolarHBondContact O-N 2.8Å; T1081-A1085 PolarHBondContact O-N 3.15Å; T1081-A1085 VanDerWaalsContact O-N 3.15Å; T1081-D1118 PolarHBondContact N-OD1 2.83Å; T1081-D1118 PolarHBondContact N-OD2 2.87Å; T1081-D1118 VanDerWaalsContact N-OD2 3.15Å; T1081-D1118 PolarHBondContact OG1-OD2 3.45Å
1082C86.1Confident85.9Confident0 Ų042.1 Ų42.10%022%0.219CC..Hα-helixtrans-60-46.3173.6-165.20000111.5A1070 S1073 S1078 G1080 K1084 A1085 F1086 F1111A1070-C1082 PolarHBondContact O-SG 2.99Å; A1070-C1082 VanDerWaalsContact O-SG 3.38Å; S1073-C1082 WeakPolarHBondContact OG-CA 3.45Å; S1073-C1082 VanDerWaalsContact OG-CB 3.23Å; S1073-C1082 WeakPolarHBondContact OG-CB 3.34Å; S1073-C1082 PolarHBondContact OG-N 2.99Å; S1078-C1082 WeakPolarHBondContact O-CB 3.45Å; S1078-C1082 PolarHBondContact O-N 3.46Å; G1080-C1082 VanDerWaalsContact C-N 3.35Å; C1082-K1084 PolarHBondContact O-N 3.31Å; C1082-A1085 WeakPolarHBondContact O-CB 3.37Å; C1082-A1085 PolarHBondContact O-N 3.22Å; C1082-A1085 VanDerWaalsContact O-N 3.1Å; C1082-F1086 WeakPolarHBondContact O-CD2 3.28Å; C1082-F1086 PolarHBondContact O-N 3.29Å; C1082-F1111 HydrophobicContact CB-CE1 4.45Å; C1082-F1111 HydrophobicContact CB-CZ 4.27Å
1083S86.5Confident85.4Confident25 Ų2550.4 Ų50.418%0.17526%0.258CS..Hα-helixtrans-59.8-42.9177.2173.90000112.2F1079 G1080 A1085 F1086 I1087F1079-S1083 WeakPolarHBondContact O-CB 3.47Å; F1079-S1083 PolarHBondContact O-N 3.16Å; G1080-S1083 PolarHBondContact O-N 3.22Å; S1083-A1085 VanDerWaalsContact C-N 3.29Å; S1083-A1085 PolarHBondContact O-N 3.4Å; S1083-F1086 PolarHBondContact O-N 2.92Å; S1083-I1087 VanDerWaalsContact O-CG1 3.32Å; S1083-I1087 WeakPolarHBondContact O-CG1 3.36Å; S1083-I1087 PolarHBondContact O-N 2.87Å
1084K87.9Confident84.9Confident149 Ų14955 Ų5565%0.64829%0.29SS*.Hα-helixtrans-60.7-36.5175-69.7175.6-178.1176.50112.8G1080 T1081 C1082 K1088G1080-K1084 PolarHBondContact O-N 2.97Å; T1081-K1084 PolarHBondContact O-N 2.8Å; C1082-K1084 PolarHBondContact O-N 3.31Å; K1084-K1088 PolarHBondContact O-N 2.93Å; K1084-K1088 VanDerWaalsContact O-N 3.17Å
1085A87.1Confident84.8Confident1 Ų154.1 Ų54.11%0.00828%0.28CS..Hα-helixtrans-68.2-42.4176.200000111.8Y1066 L1069 A1070 T1081 C1082 S1083 K1088 L1089Y1066-A1085 HydrophobicContact CD1-CB 4.43Å; L1069-A1085 HydrophobicContact CB-CB 4.39Å; L1069-A1085 HydrophobicContact CD2-CB 4.1Å; L1069-A1085 HydrophobicContact CG-CB 4.09Å; A1070-A1085 HydrophobicContact CB-CB 4.03Å; T1081-A1085 PolarHBondContact O-N 3.15Å; T1081-A1085 VanDerWaalsContact O-N 3.15Å; C1082-A1085 WeakPolarHBondContact O-CB 3.37Å; C1082-A1085 PolarHBondContact O-N 3.22Å; C1082-A1085 VanDerWaalsContact O-N 3.1Å; S1083-A1085 VanDerWaalsContact C-N 3.29Å; S1083-A1085 PolarHBondContact O-N 3.4Å; A1085-K1088 PolarHBondContact O-N 2.75Å; A1085-L1089 WeakPolarHBondContact O-CG 3.47Å; A1085-L1089 PolarHBondContact O-N 3.12Å
1086F88.1Confident84.7Confident10 Ų1054 Ų544%0.04428%0.277CS..Hα-helixtrans-63.2-44.8174.9-85.5-77.9000112.7A1070 C1082 S1083 K1088 L1089 E1090 Y1103 L1106 A1107 I1110 F1111A1070-F1086 HydrophobicContact CB-CD2 4.23Å; A1070-F1086 HydrophobicContact CB-CE2 3.89Å; A1070-F1086 HydrophobicContact CB-CZ 4.33Å; C1082-F1086 WeakPolarHBondContact O-CD2 3.28Å; C1082-F1086 PolarHBondContact O-N 3.29Å; S1083-F1086 PolarHBondContact O-N 2.92Å; F1086-K1088 PolarHBondContact O-N 3.42Å; F1086-L1089 WeakPolarHBondContact O-CA 3.33Å; F1086-L1089 WeakPolarHBondContact O-CB 3.48Å; F1086-L1089 PolarHBondContact O-N 2.83Å; F1086-E1090 WeakPolarHBondContact O-CG 3.41Å; F1086-E1090 PolarHBondContact O-N 2.73Å; F1086-Y1103 HydrophobicContact CD1-CD1 4.44Å; F1086-Y1103 HydrophobicContact CE1-CD1 4.14Å; F1086-L1106 HydrophobicContact CE1-CB 4.38Å; F1086-L1106 HydrophobicContact CE1-CD2 3.97Å; F1086-L1106 HydrophobicContact CE1-CG 4.18Å; F1086-L1106 HydrophobicContact CZ-CD2 3.97Å; F1086-L1106 HydrophobicContact CZ-CG 4.19Å; F1086-A1107 HydrophobicContact CB-CB 4.2Å; F1086-A1107 HydrophobicContact CD1-CB 3.93Å; F1086-A1107 HydrophobicContact CG-CB 4.07Å; F1086-I1110 HydrophobicContact CE2-CD1 4.02Å; F1086-I1110 HydrophobicContact CZ-CD1 3.88Å; F1086-F1111 HydrophobicContact CB-CE2 4.38Å; F1086-F1111 AromaticContact CD2-CE2 3.97Å; F1086-F1111 HydrophobicContact CD2-CE2 3.97Å; F1086-F1111 HydrophobicContact CD2-CZ 4Å; F1086-F1111 HydrophobicContact CG-CE2 4.35Å
1087I87.4Confident84.6Confident97 Ų9756.4 Ų56.450%0.49730%0.297SS..Hα-helixtrans-55.8-42.3174.5-68.7165.6000110.6S1083 E1090 S1091S1083-I1087 VanDerWaalsContact O-CG1 3.32Å; S1083-I1087 WeakPolarHBondContact O-CG1 3.36Å; S1083-I1087 PolarHBondContact O-N 2.87Å; I1087-E1090 PolarHBondContact O-N 2.83Å; I1087-S1091 WeakPolarHBondContact O-CB 3.16Å; I1087-S1091 PolarHBondContact O-N 3.05Å; I1087-S1091 PolarHBondContact O-OG 3.22Å
1088K87.4Confident84.7Confident77 Ų7754.4 Ų54.434%0.33530%0.295SS..Hα-helixtrans-65.4-45.6177.3-169.561.3172.2178.50110.9Y1066 K1084 A1085 F1086 E1090 S1091 L1092Y1066-K1088 HydrophobicContact CD1-CB 3.99Å; Y1066-K1088 HydrophobicContact CD1-CG 3.97Å; Y1066-K1088 HydrophobicContact CD2-CB 4.42Å; Y1066-K1088 HydrophobicContact CD2-CG 3.69Å; Y1066-K1088 HydrophobicContact CE1-CB 4.08Å; Y1066-K1088 HydrophobicContact CE1-CG 3.77Å; Y1066-K1088 HydrophobicContact CE2-CD 4.45Å; Y1066-K1088 HydrophobicContact CE2-CG 3.53Å; Y1066-K1088 HydrophobicContact CG-CB 4.19Å; Y1066-K1088 HydrophobicContact CG-CG 3.95Å; K1084-K1088 PolarHBondContact O-N 2.93Å; K1084-K1088 VanDerWaalsContact O-N 3.17Å; A1085-K1088 PolarHBondContact O-N 2.75Å; F1086-K1088 PolarHBondContact O-N 3.42Å; K1088-E1090 VanDerWaalsContact C-N 3.35Å; K1088-E1090 PolarHBondContact O-N 2.95Å; K1088-S1091 PolarHBondContact O-N 3.19Å; K1088-S1091 VanDerWaalsContact O-N 3.17Å; K1088-S1091 PolarHBondContact O-OG 3.24Å; K1088-L1092 WeakPolarHBondContact O-CG 3.37Å; K1088-L1092 PolarHBondContact O-N 2.73Å
1089L86.9Confident84.7Confident1 Ų158.4 Ų58.41%0.00531%0.313CS..Hα-helixtrans-58.3-43.1176.1-70.8168.2000112.4V1063 A1085 F1086 S1091 L1092 L1095 Y1103V1063-L1089 HydrophobicContact CG1-CD2 4.32Å; A1085-L1089 WeakPolarHBondContact O-CG 3.47Å; A1085-L1089 PolarHBondContact O-N 3.12Å; F1086-L1089 WeakPolarHBondContact O-CA 3.33Å; F1086-L1089 WeakPolarHBondContact O-CB 3.48Å; F1086-L1089 PolarHBondContact O-N 2.83Å; L1089-S1091 VanDerWaalsContact C-N 3.3Å; L1089-S1091 PolarHBondContact O-N 2.77Å; L1089-L1092 HydrophobicContact CD2-CD1 4.23Å; L1089-L1092 PolarHBondContact O-N 2.73Å; L1089-L1095 WeakPolarHBondContact O-CD1 3.07Å; L1089-Y1103 HydrophobicContact CB-CD2 4.46Å; L1089-Y1103 HydrophobicContact CB-CG 4.37Å; L1089-Y1103 HydrophobicContact CD1-CD1 4.1Å; L1089-Y1103 HydrophobicContact CD1-CE1 3.98Å
1090E84.6Confident84.7Confident63 Ų6361 Ų6129%0.29432%0.322SS..Hα-helixtrans-64.5-34.4177-70.7164-16000112.2F1086 I1087 K1088 L1092F1086-E1090 WeakPolarHBondContact O-CG 3.41Å; F1086-E1090 PolarHBondContact O-N 2.73Å; I1087-E1090 PolarHBondContact O-N 2.83Å; K1088-E1090 VanDerWaalsContact C-N 3.35Å; K1088-E1090 PolarHBondContact O-N 2.95Å; E1090-L1092 VanDerWaalsContact C-N 3.31Å; E1090-L1092 PolarHBondContact O-N 2.84Å
1091S85.9Confident84.8Confident66 Ų6666 Ų6646%0.46234%0.342SS..THydrogen-bonded Turntrans-77.6-7.7178.774.30000114.9I1087 K1088 L1089 E1093I1087-S1091 WeakPolarHBondContact O-CB 3.16Å; I1087-S1091 PolarHBondContact O-N 3.05Å; I1087-S1091 PolarHBondContact O-OG 3.22Å; K1088-S1091 PolarHBondContact O-N 3.19Å; K1088-S1091 VanDerWaalsContact O-N 3.17Å; K1088-S1091 PolarHBondContact O-OG 3.24Å; L1089-S1091 VanDerWaalsContact C-N 3.3Å; L1089-S1091 PolarHBondContact O-N 2.77Å; S1091-E1093 PolarHBondContact O-N 3.09Å
1092L86.2Confident85Confident22 Ų2270.6 Ų70.612%0.11537%0.366CS..  trans-76.896.7-175.4-71.4173.5000112.3A1062 V1063 K1088 L1089 E1090 S1094 L1095 R1100A1062-L1092 HydrophobicContact CB-CD1 4.13Å; A1062-L1092 HydrophobicContact CB-CD2 4.08Å; V1063-L1092 HydrophobicContact CB-CD1 4.46Å; V1063-L1092 HydrophobicContact CG2-CD1 3.68Å; K1088-L1092 WeakPolarHBondContact O-CG 3.37Å; K1088-L1092 PolarHBondContact O-N 2.73Å; L1089-L1092 HydrophobicContact CD2-CD1 4.23Å; L1089-L1092 PolarHBondContact O-N 2.73Å; E1090-L1092 VanDerWaalsContact C-N 3.31Å; E1090-L1092 PolarHBondContact O-N 2.84Å; L1092-S1094 PolarHBondContact O-N 3.13Å; L1092-L1095 HydrophobicContact CB-CD1 4.17Å; L1092-L1095 HydrophobicContact CB-CG 4.35Å; L1092-L1095 PolarHBondContact O-N 3.45Å; L1092-R1100 VanDerWaalsContact O-CZ 3.28Å; L1092-R1100 PolarHBondContact O-NE 3.44Å; L1092-R1100 VanDerWaalsContact O-NE 3.08Å; L1092-R1100 PolarHBondContact O-NH2 3.22Å; L1092-R1100 VanDerWaalsContact O-NH2 3.08Å
1093E78.3Confident85.1Confident174 Ų17473.1 Ų73.181%0.81338%0.376SS*.THydrogen-bonded Turn23.3-77.3123.630.2153.2159.900117.4S1091 L1095 R1100S1091-E1093 PolarHBondContact O-N 3.09Å; E1093-L1095 VanDerWaalsContact C-N 3.32Å; E1093-L1095 PolarHBondContact O-N 2.88Å; E1093-R1100 VanDerWaalsContact CA-NH2 3.27Å; E1093-R1100 VanDerWaalsContact N-NH2 3.16Å; E1093-R1100 PolarHBondContact O-NH2 2.83Å
1094S76.7Confident85Confident96 Ų9676.9 Ų76.967%0.67139%0.391SS*.THydrogen-bonded Turntrans-74.3-13.6-168.751.80000115.5L1092L1092-S1094 PolarHBondContact O-N 3.13Å
1095L81.6Confident85Confident17 Ų1773.9 Ų73.99%0.08938%0.382CS..SBendtrans-89.5144.6-179.1-66.4172.1000111.5V1063 L1089 L1092 E1093 Q1099 R1100 Y1103V1063-L1095 HydrophobicContact CG1-CD2 4Å; V1063-L1095 HydrophobicContact CG2-CD1 4.25Å; V1063-L1095 HydrophobicContact CG2-CD2 3.73Å; V1063-L1095 HydrophobicContact CG2-CG 3.94Å; L1089-L1095 WeakPolarHBondContact O-CD1 3.07Å; L1092-L1095 HydrophobicContact CB-CD1 4.17Å; L1092-L1095 HydrophobicContact CB-CG 4.35Å; L1092-L1095 PolarHBondContact O-N 3.45Å; E1093-L1095 VanDerWaalsContact C-N 3.32Å; E1093-L1095 PolarHBondContact O-N 2.88Å; L1095-Q1099 HydrophobicContact CB-CB 4.27Å; L1095-Q1099 HydrophobicContact CD2-CB 4.39Å; L1095-Q1099 VanDerWaalsContact CD2-OE1 3.31Å; L1095-R1100 HydrophobicContact CB-CG 3.92Å; L1095-R1100 PolarHBondContact O-NE 2.91Å; L1095-R1100 VanDerWaalsContact O-NE 3.16Å; L1095-R1100 PolarHBondContact O-NH2 3.33Å; L1095-Y1103 HydrophobicContact CD1-CD2 3.95Å; L1095-Y1103 HydrophobicContact CD1-CE2 3.7Å; L1095-Y1103 HydrophobicContact CD2-CE2 4.47Å
1096S84.4Confident85Confident53 Ų5377.4 Ų77.437%0.37140%0.4SS..  trans-65.4157173.770.50000111.5E1098 Q1099 R1100S1096-E1098 PolarHBondContact O-N 2.86Å; S1096-Q1099 PolarHBondContact O-N 3.17Å; S1096-Q1099 VanDerWaalsContact O-N 3.07Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.34Å; S1096-Q1099 PolarHBondContact OG-N 2.86Å; S1096-R1100 WeakPolarHBondContact O-CG 3.35Å; S1096-R1100 PolarHBondContact O-N 2.7Å
1097S81.3Confident85Confident92 Ų9277.3 Ų77.364%0.64340%0.401SS*.Hα-helixtrans-55.5-37.8177.649.20000112.4R1100 Q1101S1097-R1100 PolarHBondContact O-N 2.84Å; S1097-Q1101 WeakPolarHBondContact O-CG 3.5Å; S1097-Q1101 PolarHBondContact O-N 2.92Å; S1097-Q1101 VanDerWaalsContact O-N 3.1Å
1098E85.4Confident84.9Confident140 Ų14077.3 Ų77.365%0.65440%0.401SS*.Hα-helixtrans-65.7-42.8175.7-64.3177.4177.200112.4S1096 R1100 Q1101 L1102S1096-E1098 PolarHBondContact O-N 2.86Å; E1098-R1100 VanDerWaalsContact C-N 3.34Å; E1098-R1100 PolarHBondContact O-N 2.83Å; E1098-Q1101 PolarHBondContact O-N 2.76Å; E1098-L1102 WeakPolarHBondContact O-CG 3.39Å; E1098-L1102 PolarHBondContact O-N 2.95Å
1099Q84.3Confident84.8Confident89 Ų8979.7 Ų79.742%0.41641%0.414SS..Hα-helixtrans-66.7-36.7178.1-74.8176.3-24.900112L1095 S1096 L1102 Y1103L1095-Q1099 HydrophobicContact CB-CB 4.27Å; L1095-Q1099 HydrophobicContact CD2-CB 4.39Å; L1095-Q1099 VanDerWaalsContact CD2-OE1 3.31Å; S1096-Q1099 PolarHBondContact O-N 3.17Å; S1096-Q1099 VanDerWaalsContact O-N 3.07Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.34Å; S1096-Q1099 PolarHBondContact OG-N 2.86Å; Q1099-L1102 PolarHBondContact O-N 3.31Å; Q1099-Y1103 WeakPolarHBondContact O-CD2 3.32Å; Q1099-Y1103 PolarHBondContact O-N 2.89Å; Q1099-Y1103 VanDerWaalsContact O-N 3.12Å
1100R85.1Confident84.7Confident79 Ų7981.5 Ų81.530%0.29842%0.423SS..Hα-helixtrans-64.5-42.9174.7-65.6-176.8-163.1-179.76.5111.5L1092 E1093 L1095 S1096 S1097 E1098 L1102 Y1103 E1104L1092-R1100 VanDerWaalsContact O-CZ 3.28Å; L1092-R1100 PolarHBondContact O-NE 3.44Å; L1092-R1100 VanDerWaalsContact O-NE 3.08Å; L1092-R1100 PolarHBondContact O-NH2 3.22Å; L1092-R1100 VanDerWaalsContact O-NH2 3.08Å; E1093-R1100 VanDerWaalsContact CA-NH2 3.27Å; E1093-R1100 VanDerWaalsContact N-NH2 3.16Å; E1093-R1100 PolarHBondContact O-NH2 2.83Å; L1095-R1100 HydrophobicContact CB-CG 3.92Å; L1095-R1100 PolarHBondContact O-NE 2.91Å; L1095-R1100 VanDerWaalsContact O-NE 3.16Å; L1095-R1100 PolarHBondContact O-NH2 3.33Å; S1096-R1100 WeakPolarHBondContact O-CG 3.35Å; S1096-R1100 PolarHBondContact O-N 2.7Å; S1097-R1100 PolarHBondContact O-N 2.84Å; E1098-R1100 VanDerWaalsContact C-N 3.34Å; E1098-R1100 PolarHBondContact O-N 2.83Å; R1100-L1102 VanDerWaalsContact C-N 3.32Å; R1100-L1102 PolarHBondContact O-N 2.89Å; R1100-Y1103 PolarHBondContact O-N 2.94Å; R1100-E1104 PolarHBondContact O-N 2.99Å
1101Q85.6Confident84.8Confident116 Ų11680.4 Ų80.454%0.54242%0.417SS..Hα-helixtrans-59.9-41173.9-76.6177.5-15.100112.1S1097 E1098 Y1103 E1104 D1105S1097-Q1101 WeakPolarHBondContact O-CG 3.5Å; S1097-Q1101 PolarHBondContact O-N 2.92Å; S1097-Q1101 VanDerWaalsContact O-N 3.1Å; E1098-Q1101 PolarHBondContact O-N 2.76Å; Q1101-Y1103 VanDerWaalsContact C-N 3.35Å; Q1101-Y1103 PolarHBondContact O-N 2.9Å; Q1101-E1104 PolarHBondContact O-N 2.79Å; Q1101-D1105 WeakPolarHBondContact O-CB 3.39Å; Q1101-D1105 PolarHBondContact O-N 3.07Å
1102L87.6Confident84.7Confident116 Ų11682.8 Ų82.861%0.60743%0.43SS*.Hα-helixtrans-63.7-38.2176.5-70.5172.8000113E1098 Q1099 R1100 L1106E1098-L1102 WeakPolarHBondContact O-CG 3.39Å; E1098-L1102 PolarHBondContact O-N 2.95Å; Q1099-L1102 PolarHBondContact O-N 3.31Å; R1100-L1102 VanDerWaalsContact C-N 3.32Å; R1100-L1102 PolarHBondContact O-N 2.89Å; L1102-L1106 VanDerWaalsContact O-CB 3.3Å; L1102-L1106 WeakPolarHBondContact O-CB 3.46Å; L1102-L1106 PolarHBondContact O-N 2.79Å
1103Y88.4Confident84.6Confident53 Ų5389.8 Ų89.821%0.20846%0.459CS..Hα-helixtrans-68.3-39.8174.4-75.7-61.4000111.9F1086 L1089 L1095 Q1099 R1100 Q1101 L1106 A1107F1086-Y1103 HydrophobicContact CD1-CD1 4.44Å; F1086-Y1103 HydrophobicContact CE1-CD1 4.14Å; L1089-Y1103 HydrophobicContact CB-CD2 4.46Å; L1089-Y1103 HydrophobicContact CB-CG 4.37Å; L1089-Y1103 HydrophobicContact CD1-CD1 4.1Å; L1089-Y1103 HydrophobicContact CD1-CE1 3.98Å; L1095-Y1103 HydrophobicContact CD1-CD2 3.95Å; L1095-Y1103 HydrophobicContact CD1-CE2 3.7Å; L1095-Y1103 HydrophobicContact CD2-CE2 4.47Å; Q1099-Y1103 WeakPolarHBondContact O-CD2 3.32Å; Q1099-Y1103 PolarHBondContact O-N 2.89Å; Q1099-Y1103 VanDerWaalsContact O-N 3.12Å; R1100-Y1103 PolarHBondContact O-N 2.94Å; Q1101-Y1103 VanDerWaalsContact C-N 3.35Å; Q1101-Y1103 PolarHBondContact O-N 2.9Å; Y1103-L1106 PolarHBondContact O-N 3.14Å; Y1103-A1107 WeakPolarHBondContact O-CB 3.45Å; Y1103-A1107 PolarHBondContact O-N 2.95Å
1104E85.2Confident84.7Confident104 Ų10487.5 Ų87.549%0.48644%0.444SS..Hα-helixtrans-62.8-47.1175.9-173.4177.2-175.900111.3R1100 Q1101 L1106 A1107 L1108R1100-E1104 PolarHBondContact O-N 2.99Å; Q1101-E1104 PolarHBondContact O-N 2.79Å; E1104-L1106 VanDerWaalsContact C-N 3.32Å; E1104-L1106 PolarHBondContact O-N 3.42Å; E1104-A1107 PolarHBondContact O-N 3.19Å; E1104-L1108 HydrophobicContact CG-CD1 4.44Å; E1104-L1108 WeakPolarHBondContact O-CB 3.32Å; E1104-L1108 WeakPolarHBondContact O-CG 3.1Å; E1104-L1108 PolarHBondContact O-N 3.28Å
1105D87.9Confident84.9Confident86 Ų8687.1 Ų87.146%0.4644%0.439SS..Hα-helixtrans-60-42.2175.2-77.6-19.6000111.6Q1101 L1108 Q1109Q1101-D1105 WeakPolarHBondContact O-CB 3.39Å; Q1101-D1105 PolarHBondContact O-N 3.07Å; D1105-L1108 PolarHBondContact O-N 3.37Å; D1105-Q1109 WeakPolarHBondContact O-CG 3.31Å; D1105-Q1109 PolarHBondContact O-N 3.37Å
1106L87.3Confident84.7Confident74 Ų7489.5 Ų89.539%0.38746%0.455SS..Hα-helixtrans-67.9-42.2178.1-174.963.1000111.7F1086 L1102 Y1103 E1104 Q1109 I1110F1086-L1106 HydrophobicContact CE1-CB 4.38Å; F1086-L1106 HydrophobicContact CE1-CD2 3.97Å; F1086-L1106 HydrophobicContact CE1-CG 4.18Å; F1086-L1106 HydrophobicContact CZ-CD2 3.97Å; F1086-L1106 HydrophobicContact CZ-CG 4.19Å; L1102-L1106 VanDerWaalsContact O-CB 3.3Å; L1102-L1106 WeakPolarHBondContact O-CB 3.46Å; L1102-L1106 PolarHBondContact O-N 2.79Å; Y1103-L1106 PolarHBondContact O-N 3.14Å; E1104-L1106 VanDerWaalsContact C-N 3.32Å; E1104-L1106 PolarHBondContact O-N 3.42Å; L1106-Q1109 PolarHBondContact O-N 2.8Å; L1106-I1110 HydrophobicContact CD1-CD1 4.17Å; L1106-I1110 HydrophobicContact CD1-CG1 4.48Å; L1106-I1110 HydrophobicContact CG-CD1 3.96Å; L1106-I1110 VanDerWaalsContact O-CG1 3.31Å; L1106-I1110 WeakPolarHBondContact O-CG1 3.28Å; L1106-I1110 PolarHBondContact O-N 2.91Å
1107A86.9Confident84.2Confident8 Ų894.8 Ų94.87%0.06647%0.472CS..Hα-helixtrans-60.7-45.4174.800000110.6F1086 Y1103 E1104 Q1109 I1110 F1111F1086-A1107 HydrophobicContact CB-CB 4.2Å; F1086-A1107 HydrophobicContact CD1-CB 3.93Å; F1086-A1107 HydrophobicContact CG-CB 4.07Å; Y1103-A1107 WeakPolarHBondContact O-CB 3.45Å; Y1103-A1107 PolarHBondContact O-N 2.95Å; E1104-A1107 PolarHBondContact O-N 3.19Å; A1107-Q1109 PolarHBondContact O-N 2.94Å; A1107-I1110 PolarHBondContact O-N 2.87Å; A1107-F1111 HydrophobicContact CB-CD2 4.02Å; A1107-F1111 HydrophobicContact CB-CE2 4Å; A1107-F1111 WeakPolarHBondContact O-CB 3.16Å; A1107-F1111 WeakPolarHBondContact O-CD2 3.45Å; A1107-F1111 PolarHBondContact O-N 2.95Å
1108L85.9Confident83.7Confident97 Ų9792.5 Ų92.551%0.50845%0.452SS..Hα-helixtrans-57.3-47.9174-75.4169.4000111.3E1104 D1105 I1110 T1112E1104-L1108 HydrophobicContact CG-CD1 4.44Å; E1104-L1108 WeakPolarHBondContact O-CB 3.32Å; E1104-L1108 WeakPolarHBondContact O-CG 3.1Å; E1104-L1108 PolarHBondContact O-N 3.28Å; D1105-L1108 PolarHBondContact O-N 3.37Å; L1108-I1110 PolarHBondContact O-N 3.03Å; L1108-T1112 WeakPolarHBondContact O-CB 3.33Å; L1108-T1112 PolarHBondContact O-N 3.24Å; L1108-T1112 PolarHBondContact O-OG1 3.03Å
1109Q85.9Confident82.5Confident128 Ų12891 Ų9160%0.59846%0.457SS*.Hα-helixtrans-61.3-40.6178.9-74.3179.726.400113.4D1105 L1106 A1107D1105-Q1109 WeakPolarHBondContact O-CG 3.31Å; D1105-Q1109 PolarHBondContact O-N 3.37Å; L1106-Q1109 PolarHBondContact O-N 2.8Å; A1107-Q1109 PolarHBondContact O-N 2.94Å
1110I84.8Confident81.2Confident38 Ų3896.4 Ų96.420%0.19547%0.474CS..Hα-helixtrans-72.7-50.8-179.4-66.4169.2000110.1F1079 F1086 L1106 A1107 L1108 T1112 K1113 Y1114F1079-I1110 HydrophobicContact CD1-CG2 4.33Å; F1079-I1110 HydrophobicContact CE1-CG2 4.32Å; F1086-I1110 HydrophobicContact CE2-CD1 4.02Å; F1086-I1110 HydrophobicContact CZ-CD1 3.88Å; L1106-I1110 HydrophobicContact CD1-CD1 4.17Å; L1106-I1110 HydrophobicContact CD1-CG1 4.48Å; L1106-I1110 HydrophobicContact CG-CD1 3.96Å; L1106-I1110 VanDerWaalsContact O-CG1 3.31Å; L1106-I1110 WeakPolarHBondContact O-CG1 3.28Å; L1106-I1110 PolarHBondContact O-N 2.91Å; A1107-I1110 PolarHBondContact O-N 2.87Å; L1108-I1110 PolarHBondContact O-N 3.03Å; I1110-T1112 PolarHBondContact O-N 2.79Å; I1110-K1113 PolarHBondContact O-N 3.4Å; I1110-K1113 VanDerWaalsContact O-N 3.15Å; I1110-Y1114 PolarHBondContact O-N 2.85Å
1111F86Confident79.5Confident40 Ų4098.2 Ų98.218%0.17549%0.493CS..Hα-helixtrans-80.6-15.1-171.3-59.7-56.4000114.3F1079 C1082 F1086 A1107 K1113 Y1114 P1116F1079-F1111 HydrophobicContact CB-CE1 4.25Å; F1079-F1111 HydrophobicContact CD1-CE1 4.43Å; F1079-F1111 WeakPolarHBondContact O-CE1 3.16Å; C1082-F1111 HydrophobicContact CB-CE1 4.45Å; C1082-F1111 HydrophobicContact CB-CZ 4.27Å; F1086-F1111 HydrophobicContact CB-CE2 4.38Å; F1086-F1111 AromaticContact CD2-CE2 3.97Å; F1086-F1111 HydrophobicContact CD2-CE2 3.97Å; F1086-F1111 HydrophobicContact CD2-CZ 4Å; F1086-F1111 HydrophobicContact CG-CE2 4.35Å; A1107-F1111 HydrophobicContact CB-CD2 4.02Å; A1107-F1111 HydrophobicContact CB-CE2 4Å; A1107-F1111 WeakPolarHBondContact O-CB 3.16Å; A1107-F1111 WeakPolarHBondContact O-CD2 3.45Å; A1107-F1111 PolarHBondContact O-N 2.95Å; F1111-K1113 VanDerWaalsContact C-N 3.3Å; F1111-Y1114 CarbonylContact C-O 3.44Å; F1111-Y1114 VanDerWaalsContact CA-O 3.27Å; F1111-Y1114 WeakPolarHBondContact CA-O 3.19Å; F1111-P1116 HydrophobicContact CD1-CB 3.99Å; F1111-P1116 HydrophobicContact CE1-CB 4.27Å
1112T84.7Confident77.7Confident117 Ų11794.9 Ų94.972%0.71848%0.481SS*.Hα-helixtrans-68.9-31.1166.2-54.80000111.4L1108 I1110L1108-T1112 WeakPolarHBondContact O-CB 3.33Å; L1108-T1112 PolarHBondContact O-N 3.24Å; L1108-T1112 PolarHBondContact O-OG1 3.03Å; I1110-T1112 PolarHBondContact O-N 2.79Å
1113K82.4Confident75.5Confident169 Ų16996.6 Ų96.674%0.73549%0.486SS*.Hα-helixtrans-90.8-33.6178.6-69.7179.3-179.9173.50113.1I1110 F1111I1110-K1113 PolarHBondContact O-N 3.4Å; I1110-K1113 VanDerWaalsContact O-N 3.15Å; F1111-K1113 VanDerWaalsContact C-N 3.3Å
1114Y82.4Confident73.2Confident126 Ų12697.9 Ų97.949%0.49451%0.508SS..SBendtrans-128117.1-177-59.5-75.1000110.4F1079 I1110 F1111F1079-Y1114 AromaticContact CE1-CD2 3.98Å; F1079-Y1114 HydrophobicContact CE1-CD2 3.98Å; F1079-Y1114 AromaticContact CE1-CG 3.88Å; F1079-Y1114 HydrophobicContact CE1-CG 3.88Å; F1079-Y1114 AromaticContact CE2-CD1 3.9Å; F1079-Y1114 HydrophobicContact CE2-CD1 3.9Å; F1079-Y1114 AromaticContact CE2-CG 3.9Å; F1079-Y1114 HydrophobicContact CE2-CG 3.9Å; F1079-Y1114 AromaticContact CZ-CD1 3.81Å; F1079-Y1114 HydrophobicContact CZ-CD1 3.81Å; F1079-Y1114 AromaticContact CZ-CD2 3.9Å; F1079-Y1114 HydrophobicContact CZ-CD2 3.9Å; F1079-Y1114 HydrophobicContact CZ-CE1 4.38Å; F1079-Y1114 HydrophobicContact CZ-CE2 4.46Å; F1079-Y1114 AromaticContact CZ-CG 3.54Å; F1079-Y1114 HydrophobicContact CZ-CG 3.54Å; I1110-Y1114 PolarHBondContact O-N 2.85Å; F1111-Y1114 CarbonylContact C-O 3.44Å; F1111-Y1114 VanDerWaalsContact CA-O 3.27Å; F1111-Y1114 WeakPolarHBondContact CA-O 3.19Å
1115P79.1Confident71Confident87 Ų8799.8 Ų99.857%0.56552%0.517SS*.  trans-62.8141.2179.325.7-32.9000110.2K1117P1115-K1117 PolarHBondContact O-N 3.44Å
1116P79Confident68.3Low67 Ų67104 Ų10444%0.43553%0.533SS..SBendtrans-74.561.5-179.231.7-36.3000111.4F1111F1111-P1116 HydrophobicContact CD1-CB 3.99Å; F1111-P1116 HydrophobicContact CE1-CB 4.27Å
1117K74.1Confident65.6Low165 Ų165105.6 Ų105.672%0.71755%0.551SS**  trans-123129.6175.8-67.6-174.7179.2-178.50108.6P1115 S1119P1115-K1117 PolarHBondContact O-N 3.44Å; K1117-S1119 PolarHBondContact O-N 2.94Å
1118D70.7Confident62.8Low44 Ų44109.2 Ų109.224%0.23558%0.575CS.*BIsolated β-bridgetrans-78.4119.5174.4-69.6-32.8000109.1S1078 F1079 G1080 T1081 R1120S1078-D1118 WeakPolarHBondContact CA-OD1 3.39Å; S1078-D1118 VanDerWaalsContact CB-OD1 3.3Å; S1078-D1118 WeakPolarHBondContact CB-OD1 3.25Å; F1079-D1118 PolarHBondContact N-OD1 2.99Å; F1079-D1118 VanDerWaalsContact N-OD1 3.09Å; G1080-D1118 WeakPolarHBondContact CA-OD1 3.19Å; G1080-D1118 PolarHBondContact N-OD1 3.29Å; T1081-D1118 PolarHBondContact N-OD1 2.83Å; T1081-D1118 PolarHBondContact N-OD2 2.87Å; T1081-D1118 VanDerWaalsContact N-OD2 3.15Å; T1081-D1118 PolarHBondContact OG1-OD2 3.45Å; D1118-R1120 PolarHBondContact O-N 2.87Å
1119S59Low60.4Low108 Ų108114.4 Ų114.476%0.75560%0.597SS**SBendtrans-68.1-18.6-178.949.70000113.4K1117K1117-S1119 PolarHBondContact O-N 2.94Å
1120R57.4Low57.9Low202 Ų202111.9 Ų111.976%0.76261%0.605SS**SBendtrans-130.6123160.4-71178.1176.4173.2-2.3105.7D1118 V1122D1118-R1120 PolarHBondContact O-N 2.87Å; R1120-V1122 VanDerWaalsContact C-N 3.26Å; R1120-V1122 PolarHBondContact O-N 2.78Å
1121V49.5Very low55.2Low117 Ų117114.8 Ų114.871%0.70964%0.635SS**  trans-58103.2162.4-179.40000104.4E1123V1121-E1123 PolarHBondContact O-N 2.87Å
1122V48.7Very low53.2Low46 Ų46122.8 Ų122.828%0.27967%0.673SS.*  trans-58.5106.7153.2178.10000101.3R1120 A1124R1120-V1122 VanDerWaalsContact C-N 3.26Å; R1120-V1122 PolarHBondContact O-N 2.78Å; V1122-A1124 PolarHBondContact O-N 3.36Å
1123E41Very low51.4Low152 Ų152120.6 Ų120.671%0.7167%0.674SS**  trans-56.985167.7-76-179.4165.500106V1121 Q1125V1121-E1123 PolarHBondContact O-N 2.87Å; E1123-Q1125 HydrophobicContact CB-CG 4.48Å; E1123-Q1125 PolarHBondContact O-N 2.95Å
1124A39.9Very low50.3Low81 Ų81120.6 Ų120.667%0.66967%0.674SS**  trans-62.286.8141.200000102.9V1122 H1126V1122-A1124 PolarHBondContact O-N 3.36Å; A1124-H1126 VanDerWaalsContact C-N 3.26Å; A1124-H1126 PolarHBondContact O-N 2.88Å
1125Q38.1Very low49.6Very low144 Ų144119.3 Ų119.367%0.67368%0.675SS**  trans-48.9108.4158.2-76.2-178.6-17.400105.2E1123 S1127E1123-Q1125 HydrophobicContact CB-CG 4.48Å; E1123-Q1125 PolarHBondContact O-N 2.95Å; Q1125-S1127 VanDerWaalsContact C-N 3.33Å; Q1125-S1127 PolarHBondContact O-N 3.32Å
1126H31.8Very low49.3Very low174 Ų174117.6 Ų117.681%0.80666%0.664SS**  trans-45.5105.6152.1-77.1-89000106.8A1124 S1128A1124-H1126 VanDerWaalsContact C-N 3.26Å; A1124-H1126 PolarHBondContact O-N 2.88Å; H1126-S1128 VanDerWaalsContact C-N 3.31Å
1127S30.8Very low49.5Very low108 Ų108115.5 Ų115.576%0.75565%0.65SS**  trans-85.486.9132.854.40000104.1Q1125Q1125-S1127 VanDerWaalsContact C-N 3.33Å; Q1125-S1127 PolarHBondContact O-N 3.32Å
1128S28.8Very low50Low84 Ų84107.7 Ų107.759%0.58762%0.616SS**  29.6100.383.474.50000110.4H1126 G1130H1126-S1128 VanDerWaalsContact C-N 3.31Å; S1128-G1130 PolarHBondContact O-N 3.42Å; S1128-G1130 VanDerWaalsContact O-N 3.14Å
1129E33.6Very low50.7Low205 Ų205105.6 Ų105.696%0.95861%0.605SS**SBendtrans-44.2117.2159.5-64.4174.1145.400108.5
1130G34Very low51.8Low75 Ų75101.1 Ų101.177%0.77357%0.573SS**  trans113.969.7170.300000117S1128S1128-G1130 PolarHBondContact O-N 3.42Å; S1128-G1130 VanDerWaalsContact O-N 3.14Å
1131A29Very low52.9Low100 Ų10092.2 Ų92.283%0.82654%0.541SS*.  trans-174138.614200000109.4
1132E42.3Very low54.3Low207 Ų20786.8 Ų86.897%0.96751%0.509SS*.  trans-66.9135.6-170.5-64.6171141.200114.1
1133G47.2Very low55.7Low72 Ų7289.2 Ų89.274%0.74251%0.513SS*.  trans114.3101163.100000115.9L1135G1133-L1135 PolarHBondContact O-N 3.13Å
1134K59Low57.5Low169 Ų16985.2 Ų85.274%0.73550%0.5SS*.PPolyproline II helixtrans-69.6126.6165.7-75.8-170.3178.3-165.50109.4E1055E1055-K1134 IonicContact OE1-NZ 3.57Å; E1055-K1134 PolarHBondContact OE1-NZ 3.26Å; E1055-K1134 IonicContact OE2-NZ 3.78Å
1135L69.6Low59.5Low98 Ų9881.6 Ų81.651%0.51347%0.469SS..PPolyproline II helixtrans-66.4134.3173.8-67.5163.3000110.2G1133 P1144 Q1146G1133-L1135 PolarHBondContact O-N 3.13Å; L1135-P1144 HydrophobicContact CB-CB 4.28Å; L1135-Q1146 HydrophobicContact CD1-CG 4.04Å
1136P72.8Confident61.1Low52 Ų5281.2 Ų81.234%0.33847%0.468SS..PPolyproline II helixtrans-68138.6-178.925.4-31000111.5I1145 C1159P1136-I1145 HydrophobicContact CG-CB 4.33Å; P1136-I1145 HydrophobicContact CG-CD1 4.49Å; P1136-I1145 WeakPolarHBondContact O-CB 3.31Å; P1136-I1145 WeakPolarHBondContact O-CG1 3.41Å; P1136-I1145 PolarHBondContact O-N 3.44Å; P1136-C1159 HydrophobicContact CB-CB 4.24Å
1137T81.6Confident63Low23 Ų2377.8 Ų77.814%0.14145%0.452CS..BIsolated β-bridgetrans-84.7132.6177.7-50.50000110.8F1030 H1052 I1139F1030-T1137 HydrophobicContact CE1-CG2 4.04Å; F1030-T1137 HydrophobicContact CZ-CG2 3.9Å; H1052-T1137 PolarHBondContact CE1-OG1 3.44Å; H1052-T1137 PolarHBondContact NE2-OG1 3.23Å; T1137-I1139 PolarHBondContact O-N 3.02Å
1138C84.5Confident64.8Low0 Ų083.8 Ų83.80%046%0.46CS..PPolyproline II helixtrans-68.1117.9174.6174.10000111V1140 T1141 G1142 R1143 I1145 C1159 L1161C1138-V1140 PolarHBondContact O-N 3.2Å; C1138-V1140 PolarHBondContact SG-N 3.48Å; C1138-T1141 WeakPolarHBondContact CB-OG1 3.4Å; C1138-T1141 PolarHBondContact O-N 3.38Å; C1138-T1141 PolarHBondContact SG-OG1 2.72Å; C1138-G1142 WeakPolarHBondContact O-CA 3.44Å; C1138-G1142 PolarHBondContact O-N 2.73Å; C1138-R1143 WeakPolarHBondContact CB-O 3.48Å; C1138-R1143 PolarHBondContact N-O 3.03Å; C1138-I1145 HydrophobicContact CB-CD1 4.06Å; C1138-I1145 HydrophobicContact CB-CG1 3.82Å; C1138-C1159 WeakPolarHBondContact CA-O 3.38Å; C1138-L1161 HydrophobicContact CB-CG 4.24Å; C1138-L1161 PolarHBondContact SG-N 3.5Å; C1138-L1161 VanDerWaalsContact SG-N 3.39Å
1139I86.3Confident66.8Low1 Ų186.8 Ų86.81%0.00546%0.464CS..THydrogen-bonded Turntrans-63.4-22178.561.3175.8000113.8H1029 F1030 T1137 W1151 H1158 C1159 A1160 P1172 L1173H1029-I1139 PolarHBondContact NE2-O 3.33Å; F1030-I1139 HydrophobicContact CZ-CG2 4.41Å; T1137-I1139 PolarHBondContact O-N 3.02Å; I1139-W1151 HydrophobicContact CD1-CZ3 4.18Å; I1139-H1158 HydrophobicContact CD1-CB 4.49Å; I1139-H1158 HydrophobicContact CG2-CB 3.65Å; I1139-C1159 PolarHBondContact N-O 3.22Å; I1139-A1160 HydrophobicContact CG1-CB 4.02Å; I1139-P1172 HydrophobicContact CD1-CB 4.47Å; I1139-P1172 HydrophobicContact CD1-CG 4.32Å; I1139-P1172 HydrophobicContact CG1-CG 4.46Å; I1139-L1173 HydrophobicContact CD1-CB 4.28Å
1140V82.9Confident69Low13 Ų1381 Ų818%0.07944%0.436CS..THydrogen-bonded Turntrans-80.9-40.9178.9179.90000111.5C1138 A1160 E1164 I1165 Y1168 P1172C1138-V1140 PolarHBondContact O-N 3.2Å; C1138-V1140 PolarHBondContact SG-N 3.48Å; V1140-A1160 HydrophobicContact CG2-CB 3.98Å; V1140-E1164 HydrophobicContact CB-CB 4.27Å; V1140-E1164 HydrophobicContact CG1-CB 4.02Å; V1140-I1165 HydrophobicContact CG2-CD1 3.81Å; V1140-Y1168 HydrophobicContact CG1-CD2 4.35Å; V1140-Y1168 HydrophobicContact CG1-CE2 3.6Å; V1140-Y1168 HydrophobicContact CG2-CD2 4.41Å; V1140-Y1168 HydrophobicContact CG2-CE2 4.38Å; V1140-P1172 HydrophobicContact CG2-CG 3.85Å
1141T79.8Confident71.5Confident16 Ų1679.7 Ų79.710%0.09841%0.408CS..THydrogen-bonded Turntrans-112.7-17-167.862.50000114.2Q1037 T1049 C1138 R1143 E1164Q1037-T1141 PolarHBondContact NE2-O 2.94Å; T1049-T1141 PolarHBondContact OG1-O 2.77Å; C1138-T1141 WeakPolarHBondContact CB-OG1 3.4Å; C1138-T1141 PolarHBondContact O-N 3.38Å; C1138-T1141 PolarHBondContact SG-OG1 2.72Å; T1141-R1143 PolarHBondContact O-N 3.1Å; T1141-R1143 PolarHBondContact OG1-N 3.08Å; T1141-E1164 HydrophobicContact CG2-CB 4.22Å; T1141-E1164 HydrophobicContact CG2-CG 3.76Å
1142G77.9Confident74.2Confident3 Ų379.8 Ų79.83%0.03139%0.393CS..  trans73.211.8-172.900000114.1C1138C1138-G1142 WeakPolarHBondContact O-CA 3.44Å; C1138-G1142 PolarHBondContact O-N 2.73Å
1143R79.3Confident76.2Confident96 Ų9670 Ų7036%0.36235%0.348SS..  trans-93142.3-179.2-63.9178.9178.5-175.9-1.3111.4N1045 C1138 T1141 I1145N1045-R1143 PolarHBondContact OD1-NE 3.41Å; N1045-R1143 PolarHBondContact OD1-NH2 2.96Å; C1138-R1143 WeakPolarHBondContact CB-O 3.48Å; C1138-R1143 PolarHBondContact N-O 3.03Å; T1141-R1143 PolarHBondContact O-N 3.1Å; T1141-R1143 PolarHBondContact OG1-N 3.08Å; R1143-I1145 PolarHBondContact O-N 2.91Å
1144P78.6Confident77.8Confident69 Ų6971.3 Ų71.345%0.44835%0.345SS..BIsolated β-bridgetrans-63.2132.216928.4-33.3000109L1135 Q1146L1135-P1144 HydrophobicContact CB-CB 4.28Å; P1144-Q1146 PolarHBondContact O-N 2.77Å
1145I81Confident78.8Confident4 Ų465.6 Ų65.62%0.02132%0.324CS..  trans-81.7110.5179.2-60.1167.7000107.3P1136 C1138 R1143 E1147 F1150 C1159 L1161P1136-I1145 HydrophobicContact CG-CB 4.33Å; P1136-I1145 HydrophobicContact CG-CD1 4.49Å; P1136-I1145 WeakPolarHBondContact O-CB 3.31Å; P1136-I1145 WeakPolarHBondContact O-CG1 3.41Å; P1136-I1145 PolarHBondContact O-N 3.44Å; C1138-I1145 HydrophobicContact CB-CD1 4.06Å; C1138-I1145 HydrophobicContact CB-CG1 3.82Å; R1143-I1145 PolarHBondContact O-N 2.91Å; I1145-E1147 HydrophobicContact CG2-CB 4.42Å; I1145-F1150 HydrophobicContact CD1-CB 4.18Å; I1145-F1150 HydrophobicContact CG2-CB 3.95Å; I1145-F1150 HydrophobicContact CG2-CD1 4.37Å; I1145-F1150 HydrophobicContact CG2-CG 4.42Å; I1145-C1159 HydrophobicContact CD1-CB 3.67Å; I1145-L1161 HydrophobicContact CB-CD2 4.46Å; I1145-L1161 HydrophobicContact CG1-CD2 4.11Å; I1145-L1161 HydrophobicContact CG1-CG 4.34Å; I1145-L1161 HydrophobicContact CG2-CD2 3.96Å
1146Q71.9Confident79.5Confident137 Ų13761.1 Ų61.164%0.6430%0.301SS*.  trans-96.6-8.6173.9-67.5178.1-12.400112.1L1135 P1144L1135-Q1146 HydrophobicContact CD1-CG 4.04Å; P1144-Q1146 PolarHBondContact O-N 2.77Å
1147E72.6Confident80Confident102 Ų10265 Ų6548%0.47731%0.313SS..SBendtrans-81.6139.6179.9-66175.5-163.200110.9I1145 Q1149I1145-E1147 HydrophobicContact CG2-CB 4.42Å; E1147-Q1149 PolarHBondContact O-N 2.88Å
1148Y67.3Low80.2Confident234 Ų23465.5 Ų65.592%0.91831%0.313SS*.SBendtrans-69.4-19175.9-94.2-84.9000113.3
1149Q72.6Confident80.3Confident146 Ų14666 Ų6668%0.68232%0.317SS*.  trans-104.7118.1177.2-71.7-179.3-25.700109.7E1147E1147-Q1149 PolarHBondContact O-N 2.88Å
1150F79.5Confident80.2Confident83 Ų8366 Ų6636%0.36432%0.316SS..  trans-148.6151.5178.161.1-93.6000111.4I1145 M1152 C1159I1145-F1150 HydrophobicContact CD1-CB 4.18Å; I1145-F1150 HydrophobicContact CG2-CB 3.95Å; I1145-F1150 HydrophobicContact CG2-CD1 4.37Å; I1145-F1150 HydrophobicContact CG2-CG 4.42Å; F1150-M1152 HydrophobicContact CE2-CE 3.98Å; F1150-C1159 HydrophobicContact CD2-CB 3.84Å; F1150-C1159 HydrophobicContact CE2-CB 4.28Å; F1150-C1159 WeakPolarHBondContact CE2-SG 3.43Å
1151W85.6Confident80.2Confident48 Ų4866.5 Ų66.518%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-86.9139.6176.1175.287.8000110.4I1139 C1153 C1159 A1160 I1165 C1171 L1178I1139-W1151 HydrophobicContact CD1-CZ3 4.18Å; W1151-C1153 HydrophobicContact CH2-CB 3.42Å; W1151-C1153 VanDerWaalsContact CH2-CB 3.42Å; W1151-C1153 HydrophobicContact CZ2-CB 4.08Å; W1151-C1153 HydrophobicContact CZ3-CB 3.85Å; W1151-C1159 CarbonylContact O-C 3.55Å; W1151-C1159 WeakPolarHBondContact O-CA 3.38Å; W1151-A1160 HydrophobicContact CE3-CB 3.9Å; W1151-A1160 PolarHBondContact N-O 3.21Å; W1151-A1160 PolarHBondContact O-N 2.89Å; W1151-I1165 HydrophobicContact CB-CG2 3.84Å; W1151-I1165 HydrophobicContact CD2-CG1 3.82Å; W1151-I1165 HydrophobicContact CD2-CG2 4.3Å; W1151-I1165 HydrophobicContact CE3-CB 4.49Å; W1151-I1165 HydrophobicContact CE3-CD1 3.98Å; W1151-I1165 HydrophobicContact CE3-CG1 3.72Å; W1151-I1165 HydrophobicContact CG-CG1 4.32Å; W1151-I1165 HydrophobicContact CG-CG2 3.91Å; W1151-I1165 HydrophobicContact CH2-CD1 4.39Å; W1151-I1165 HydrophobicContact CH2-CG1 4.47Å; W1151-I1165 HydrophobicContact CZ3-CD1 3.87Å; W1151-I1165 HydrophobicContact CZ3-CG1 4.04Å; W1151-C1171 HydrophobicContact CH2-CB 3.98Å; W1151-L1178 HydrophobicContact CH2-CD2 3.38Å; W1151-L1178 HydrophobicContact CZ2-CD2 3.1Å; W1151-L1178 HydrophobicContact CZ2-CG 4.45Å; W1151-L1178 HydrophobicContact CZ3-CD2 4.25Å
1152M85.4Confident80.2Confident102 Ų10271 Ų7150%0.50234%0.339SS..EExtended strand (participates in β ladder)trans-125.4132.4175.8-174.4-173.3-65.100110.7F1150 K1157F1150-M1152 HydrophobicContact CE2-CE 3.98Å; M1152-K1157 WeakPolarHBondContact CG-O 3.21Å; M1152-K1157 HydrophobicContact SD-CB 4.45Å
1153C83.9Confident80.3Confident3 Ų377.8 Ų77.82%0.0237%0.37CS..  trans-70.6132.7178.1-174.10000112.1W1151 V1155 C1156 K1157 H1158 S1176W1151-C1153 HydrophobicContact CH2-CB 3.42Å; W1151-C1153 VanDerWaalsContact CH2-CB 3.42Å; W1151-C1153 HydrophobicContact CZ2-CB 4.08Å; W1151-C1153 HydrophobicContact CZ3-CB 3.85Å; C1153-V1155 VanDerWaalsContact C-N 3.33Å; C1153-V1155 PolarHBondContact O-N 2.91Å; C1153-C1156 WeakPolarHBondContact CB-SG 3.48Å; C1153-C1156 PolarHBondContact SG-SG 3.25Å; C1153-K1157 WeakPolarHBondContact O-CA 3.35Å; C1153-K1157 PolarHBondContact O-N 2.93Å; C1153-H1158 PolarHBondContact N-O 3.14Å; C1153-S1176 PolarHBondContact SG-OG 3.15Å; C1153-S1176 VanDerWaalsContact SG-OG 3.41Å
1154S81.2Confident80.4Confident99 Ų9975.9 Ų75.969%0.69237%0.365SS*.THydrogen-bonded Turntrans-65.2-32.1177.156.60000114.1
1155V80.8Confident80.6Confident48 Ų4873 Ų7329%0.29135%0.345SS..THydrogen-bonded Turntrans-85.1-61.1-179.4-177.50000112.4W1022 C1153W1022-V1155 HydrophobicContact CH2-CG1 4.48Å; W1022-V1155 HydrophobicContact CZ2-CG1 4.06Å; C1153-V1155 VanDerWaalsContact C-N 3.33Å; C1153-V1155 PolarHBondContact O-N 2.91Å
1156C83.2Confident80.6Confident5 Ų577.1 Ų77.13%0.03438%0.375CS..THydrogen-bonded Turntrans-89.5-10.1-175.661.80000115W1022 C1153 H1158 C1171 L1173 C1174W1022-C1156 HydrophobicContact CD2-CB 3.68Å; W1022-C1156 HydrophobicContact CE3-CB 3.89Å; W1022-C1156 HydrophobicContact CG-CB 4.24Å; W1022-C1156 HydrophobicContact CH2-CB 4.17Å; W1022-C1156 HydrophobicContact CZ2-CB 3.94Å; W1022-C1156 HydrophobicContact CZ3-CB 4.13Å; C1153-C1156 WeakPolarHBondContact CB-SG 3.48Å; C1153-C1156 PolarHBondContact SG-SG 3.25Å; C1156-H1158 PolarHBondContact O-N 3.27Å; C1156-H1158 VanDerWaalsContact O-N 3.13Å; C1156-H1158 PolarHBondContact O-ND1 2.78Å; C1156-C1171 VanDerWaalsContact SG-SG 3.65Å; C1156-L1173 HydrophobicContact CB-CD2 4.18Å; C1156-C1174 HydrophobicContact CB-CB 4.01Å
1157K83.9Confident81Confident134 Ų13477 Ų7758%0.58337%0.372SS*.  trans62.29.5-177.9-52.8177.2-175.31690115.8M1152 C1153M1152-K1157 WeakPolarHBondContact CG-O 3.21Å; M1152-K1157 HydrophobicContact SD-CB 4.45Å; C1153-K1157 WeakPolarHBondContact O-CA 3.35Å; C1153-K1157 PolarHBondContact O-N 2.93Å
1158H85.4Confident81.5Confident32 Ų3277.5 Ų77.515%0.14837%0.371CS..  trans-79.7152.4173.7-68.277000113E1026 I1139 C1153 C1156 L1173E1026-H1158 IonicContact OE1-CD2 3.47Å; E1026-H1158 PolarHBondContact OE1-CD2 3.12Å; E1026-H1158 IonicContact OE1-NE2 2.71Å; E1026-H1158 PolarHBondContact OE1-NE2 3.31Å; E1026-H1158 VanDerWaalsContact OE1-NE2 3.13Å; E1026-H1158 IonicContact OE2-NE2 3.31Å; E1026-H1158 PolarHBondContact OE2-NE2 3.12Å; I1139-H1158 HydrophobicContact CD1-CB 4.49Å; I1139-H1158 HydrophobicContact CG2-CB 3.65Å; C1153-H1158 PolarHBondContact N-O 3.14Å; C1156-H1158 PolarHBondContact O-N 3.27Å; C1156-H1158 VanDerWaalsContact O-N 3.13Å; C1156-H1158 PolarHBondContact O-ND1 2.78Å; H1158-L1173 HydrophobicContact CB-CD2 4.05Å; H1158-L1173 VanDerWaalsContact CG-CD2 3.44Å; H1158-L1173 WeakPolarHBondContact ND1-CD2 3.05Å
1159C86.4Confident82.3Confident11 Ų1173.3 Ų73.37%0.07436%0.364CS..EExtended strand (participates in β ladder)trans-105151.8-170.1-59.20000113.3P1136 C1138 I1139 I1145 F1150 W1151P1136-C1159 HydrophobicContact CB-CB 4.24Å; C1138-C1159 WeakPolarHBondContact CA-O 3.38Å; I1139-C1159 PolarHBondContact N-O 3.22Å; I1145-C1159 HydrophobicContact CD1-CB 3.67Å; F1150-C1159 HydrophobicContact CD2-CB 3.84Å; F1150-C1159 HydrophobicContact CE2-CB 4.28Å; F1150-C1159 WeakPolarHBondContact CE2-SG 3.43Å; W1151-C1159 CarbonylContact O-C 3.55Å; W1151-C1159 WeakPolarHBondContact O-CA 3.38Å
1160A84.6Confident82.9Confident0 Ų068.9 Ų68.90%035%0.349CS..EExtended strand (participates in β ladder)trans-141.9155.8170.700000111.8I1139 V1140 W1151 E1162 I1165I1139-A1160 HydrophobicContact CG1-CB 4.02Å; V1140-A1160 HydrophobicContact CG2-CB 3.98Å; W1151-A1160 HydrophobicContact CE3-CB 3.9Å; W1151-A1160 PolarHBondContact N-O 3.21Å; W1151-A1160 PolarHBondContact O-N 2.89Å; A1160-E1162 PolarHBondContact O-N 2.87Å; A1160-I1165 HydrophobicContact CB-CB 3.98Å; A1160-I1165 HydrophobicContact CB-CD1 4.02Å; A1160-I1165 HydrophobicContact CB-CG1 4.26Å
1161L83.4Confident83.2Confident24 Ų2465 Ų6513%0.12633%0.331CS..  trans-65.1131.2169.9-66.4168.7000109.3C1138 I1145 Q1163 E1164 I1165C1138-L1161 HydrophobicContact CB-CG 4.24Å; C1138-L1161 PolarHBondContact SG-N 3.5Å; C1138-L1161 VanDerWaalsContact SG-N 3.39Å; I1145-L1161 HydrophobicContact CB-CD2 4.46Å; I1145-L1161 HydrophobicContact CG1-CD2 4.11Å; I1145-L1161 HydrophobicContact CG1-CG 4.34Å; I1145-L1161 HydrophobicContact CG2-CD2 3.96Å; L1161-Q1163 VanDerWaalsContact C-N 3.26Å; L1161-Q1163 PolarHBondContact O-N 2.9Å; L1161-E1164 HydrophobicContact CB-CB 4.2Å; L1161-E1164 HydrophobicContact CB-CG 4.21Å; L1161-E1164 HydrophobicContact CD1-CG 4.48Å; L1161-E1164 PolarHBondContact O-N 2.92Å; L1161-I1165 PolarHBondContact O-N 2.9Å
1162E80Confident83.1Confident111 Ų11163.5 Ų63.552%0.51933%0.328SS..Hα-helixtrans-61.4-34.8-172.2-165.7170.1-171.500112.5A1160 E1164 I1165A1160-E1162 PolarHBondContact O-N 2.87Å; E1162-E1164 VanDerWaalsContact C-N 3.32Å; E1162-E1164 PolarHBondContact O-N 3.32Å; E1162-I1165 WeakPolarHBondContact O-CG2 3.49Å
1163Q79.6Confident83.1Confident145 Ų14558.7 Ų58.768%0.67830%0.304SS*.Hα-helixtrans-69.9-26.2175.9-60.7-178.93.700113.8L1161 S1166L1161-Q1163 VanDerWaalsContact C-N 3.26Å; L1161-Q1163 PolarHBondContact O-N 2.9Å; Q1163-S1166 PolarHBondContact O-OG 3.47Å
1164E80.8Confident83.2Confident56 Ų5658.6 Ų58.626%0.26230%0.304SS..Hα-helixtrans-93.6-32.3-176.1-70.1-65.4150.900111.9V1140 T1141 L1161 E1162 K1167V1140-E1164 HydrophobicContact CB-CB 4.27Å; V1140-E1164 HydrophobicContact CG1-CB 4.02Å; T1141-E1164 HydrophobicContact CG2-CB 4.22Å; T1141-E1164 HydrophobicContact CG2-CG 3.76Å; L1161-E1164 HydrophobicContact CB-CB 4.2Å; L1161-E1164 HydrophobicContact CB-CG 4.21Å; L1161-E1164 HydrophobicContact CD1-CG 4.48Å; L1161-E1164 PolarHBondContact O-N 2.92Å; E1162-E1164 VanDerWaalsContact C-N 3.32Å; E1162-E1164 PolarHBondContact O-N 3.32Å; E1164-K1167 PolarHBondContact O-N 2.86Å; E1164-K1167 IonicContact OE1-NZ 3.11Å; E1164-K1167 PolarHBondContact OE1-NZ 3.16Å; E1164-K1167 IonicContact OE2-NZ 2.9Å; E1164-K1167 PolarHBondContact OE2-NZ 3.31Å
1165I83.6Confident83.3Confident8 Ų859 Ų594%0.04130%0.295CS..Hα-helixtrans-72.7-29179.2-162.665.2000112.8V1140 W1151 A1160 L1161 E1162 K1167 Y1168 P1172 L1178V1140-I1165 HydrophobicContact CG2-CD1 3.81Å; W1151-I1165 HydrophobicContact CB-CG2 3.84Å; W1151-I1165 HydrophobicContact CD2-CG1 3.82Å; W1151-I1165 HydrophobicContact CD2-CG2 4.3Å; W1151-I1165 HydrophobicContact CE3-CB 4.49Å; W1151-I1165 HydrophobicContact CE3-CD1 3.98Å; W1151-I1165 HydrophobicContact CE3-CG1 3.72Å; W1151-I1165 HydrophobicContact CG-CG1 4.32Å; W1151-I1165 HydrophobicContact CG-CG2 3.91Å; W1151-I1165 HydrophobicContact CH2-CD1 4.39Å; W1151-I1165 HydrophobicContact CH2-CG1 4.47Å; W1151-I1165 HydrophobicContact CZ3-CD1 3.87Å; W1151-I1165 HydrophobicContact CZ3-CG1 4.04Å; A1160-I1165 HydrophobicContact CB-CB 3.98Å; A1160-I1165 HydrophobicContact CB-CD1 4.02Å; A1160-I1165 HydrophobicContact CB-CG1 4.26Å; L1161-I1165 PolarHBondContact O-N 2.9Å; E1162-I1165 WeakPolarHBondContact O-CG2 3.49Å; I1165-K1167 PolarHBondContact O-N 2.82Å; I1165-Y1168 PolarHBondContact O-N 2.82Å; I1165-P1172 HydrophobicContact CD1-CG 4.1Å; I1165-L1178 HydrophobicContact CD1-CD1 4.42Å; I1165-L1178 HydrophobicContact CD1-CD2 4.04Å; I1165-L1178 HydrophobicContact CG1-CD1 3.97Å; I1165-L1178 HydrophobicContact CG1-CD2 3.85Å
1166S79.9Confident83.4Confident91 Ų9157.9 Ų57.964%0.63629%0.289SS*.THydrogen-bonded Turntrans-61.8-15.7177.364.80000113.7Q1163 Y1168Q1163-S1166 PolarHBondContact O-OG 3.47Å; S1166-Y1168 VanDerWaalsContact C-N 3.26Å; S1166-Y1168 PolarHBondContact O-N 2.79Å
1167K82Confident83.2Confident135 Ų13560.9 Ų60.959%0.58731%0.314SS*.THydrogen-bonded Turntrans-77.7-7.9174.3-57.9175.4-170.2165.60113.3E1164 I1165E1164-K1167 PolarHBondContact O-N 2.86Å; E1164-K1167 IonicContact OE1-NZ 3.11Å; E1164-K1167 PolarHBondContact OE1-NZ 3.16Å; E1164-K1167 IonicContact OE2-NZ 2.9Å; E1164-K1167 PolarHBondContact OE2-NZ 3.31Å; I1165-K1167 PolarHBondContact O-N 2.82Å
1168Y81.4Confident82.8Confident113 Ų11356.6 Ų56.644%0.44330%0.297SS..  trans-117.2156.1-178.1-67.3-91000110.4V1140 I1165 S1166 P1172 L1178V1140-Y1168 HydrophobicContact CG1-CD2 4.35Å; V1140-Y1168 HydrophobicContact CG1-CE2 3.6Å; V1140-Y1168 HydrophobicContact CG2-CD2 4.41Å; V1140-Y1168 HydrophobicContact CG2-CE2 4.38Å; I1165-Y1168 PolarHBondContact O-N 2.82Å; S1166-Y1168 VanDerWaalsContact C-N 3.26Å; S1166-Y1168 PolarHBondContact O-N 2.79Å; Y1168-P1172 HydrophobicContact CG-CG 4.43Å; Y1168-L1178 WeakPolarHBondContact O-CD1 3.41Å
1169N84.3Confident81.5Confident146 Ų14663.8 Ų63.878%0.78134%0.343SS*.SBendtrans-99.1-16.3173.6-66.5-16.1000112.7L1178N1169-L1178 PolarHBondContact O-N 3.13Å; N1169-L1178 VanDerWaalsContact O-N 3.13Å
1170C85.6Confident81.3Confident53 Ų5366.4 Ų66.436%0.35836%0.356SS..BIsolated β-bridgetrans-135.6154.3-178-59.30000109.8P1172 S1176C1170-P1172 WeakPolarHBondContact O-CD 3.34Å; C1170-S1176 CarbonylContact C-O 3.49Å; C1170-S1176 WeakPolarHBondContact CA-O 3.4Å; C1170-S1176 WeakPolarHBondContact CB-O 3.49Å
1171C86Confident81.1Confident0 Ų069.9 Ų69.90%038%0.375CS..  trans-55.1123.2170.91800000110.5W1151 C1156 L1173 C1174 H1175 S1176W1151-C1171 HydrophobicContact CH2-CB 3.98Å; C1156-C1171 VanDerWaalsContact SG-SG 3.65Å; C1171-L1173 PolarHBondContact O-N 2.96Å; C1171-L1173 VanDerWaalsContact O-N 3.13Å; C1171-C1174 VanDerWaalsContact CB-SG 3.56Å; C1171-H1175 WeakPolarHBondContact O-CA 3.47Å; C1171-H1175 PolarHBondContact O-N 3.19Å; C1171-S1176 PolarHBondContact N-O 2.85Å
1172P83.9Confident80.9Confident18 Ų1872.4 Ų72.412%0.11739%0.389CS..THydrogen-bonded Turntrans-60.5-22.5179.6-2633000114.9K966 H1029 I1139 V1140 I1165 Y1168 C1170K966-P1172 PolarHBondContact NZ-O 2.84Å; H1029-P1172 PolarHBondContact CE1-O 2.81Å; H1029-P1172 VanDerWaalsContact CE1-O 3.25Å; H1029-P1172 PolarHBondContact ND1-O 3.46Å; I1139-P1172 HydrophobicContact CD1-CB 4.47Å; I1139-P1172 HydrophobicContact CD1-CG 4.32Å; I1139-P1172 HydrophobicContact CG1-CG 4.46Å; V1140-P1172 HydrophobicContact CG2-CG 3.85Å; I1165-P1172 HydrophobicContact CD1-CG 4.1Å; Y1168-P1172 HydrophobicContact CG-CG 4.43Å; C1170-P1172 WeakPolarHBondContact O-CD 3.34Å
1173L85.7Confident81Confident0 Ų070.2 Ų70.20%038%0.381CS..THydrogen-bonded Turntrans-86.6-66.6-179.9-177.361.3000111.7K966 W1022 A1025 H1029 I1139 C1156 H1158 C1171K966-L1173 WeakPolarHBondContact CE-O 3.42Å; K966-L1173 PolarHBondContact NZ-O 2.9Å; W1022-L1173 HydrophobicContact CE3-CD2 4.45Å; W1022-L1173 HydrophobicContact CE3-CG 4.47Å; A1025-L1173 HydrophobicContact CB-CD1 4.25Å; H1029-L1173 HydrophobicContact CB-CD1 3.64Å; I1139-L1173 HydrophobicContact CD1-CB 4.28Å; C1156-L1173 HydrophobicContact CB-CD2 4.18Å; H1158-L1173 HydrophobicContact CB-CD2 4.05Å; H1158-L1173 VanDerWaalsContact CG-CD2 3.44Å; H1158-L1173 WeakPolarHBondContact ND1-CD2 3.05Å; C1171-L1173 PolarHBondContact O-N 2.96Å; C1171-L1173 VanDerWaalsContact O-N 3.13Å
1174C85.1Confident81.1Confident2 Ų265.5 Ų65.51%0.01436%0.363CS..THydrogen-bonded Turntrans-95.3-5.1-172.964.40000114.8W1022 C1156 C1171 S1176W1022-C1174 HydrophobicContact CE3-CB 4.42Å; W1022-C1174 HydrophobicContact CH2-CB 3.34Å; W1022-C1174 HydrophobicContact CZ2-CB 4.29Å; W1022-C1174 HydrophobicContact CZ3-CB 3.41Å; W1022-C1174 VanDerWaalsContact CZ3-CB 3.41Å; C1156-C1174 HydrophobicContact CB-CB 4.01Å; C1171-C1174 VanDerWaalsContact CB-SG 3.56Å; C1174-S1176 PolarHBondContact O-N 2.91Å; C1174-S1176 VanDerWaalsContact O-N 3.15Å; C1174-S1176 PolarHBondContact SG-OG 3.1Å
1175H84.1Confident81.1Confident107 Ų10766.1 Ų66.150%0.49537%0.369SS..  trans61.813.5-179.6-60.2-79.4000115.8K966 C1171K966-H1175 PolarHBondContact NZ-NE2 3.13Å; C1171-H1175 WeakPolarHBondContact O-CA 3.47Å; C1171-H1175 PolarHBondContact O-N 3.19Å
1176S82.2Confident80.9Confident25 Ų2570.3 Ų70.318%0.17539%0.393CS..PPolyproline II helixtrans-64.4148.5168.361.20000110.5C1153 C1170 C1171 C1174C1153-S1176 PolarHBondContact SG-OG 3.15Å; C1153-S1176 VanDerWaalsContact SG-OG 3.41Å; C1170-S1176 CarbonylContact C-O 3.49Å; C1170-S1176 WeakPolarHBondContact CA-O 3.4Å; C1170-S1176 WeakPolarHBondContact CB-O 3.49Å; C1171-S1176 PolarHBondContact N-O 2.85Å; C1174-S1176 PolarHBondContact O-N 2.91Å; C1174-S1176 VanDerWaalsContact O-N 3.15Å; C1174-S1176 PolarHBondContact SG-OG 3.1Å
1177A78.8Confident81Confident67 Ų6768.7 Ų68.755%0.55437%0.374SS*.BIsolated β-bridgetrans-59.1140.1174.800000110.4V1179A1177-V1179 PolarHBondContact O-N 2.97Å
1178L76.2Confident80.9Confident44 Ų4463.2 Ų63.223%0.2336%0.356CS..PPolyproline II helixtrans-72.1119.7169-57.7174.1000106.8W1151 I1165 Y1168 N1169W1151-L1178 HydrophobicContact CH2-CD2 3.38Å; W1151-L1178 HydrophobicContact CZ2-CD2 3.1Å; W1151-L1178 HydrophobicContact CZ2-CG 4.45Å; W1151-L1178 HydrophobicContact CZ3-CD2 4.25Å; I1165-L1178 HydrophobicContact CD1-CD1 4.42Å; I1165-L1178 HydrophobicContact CD1-CD2 4.04Å; I1165-L1178 HydrophobicContact CG1-CD1 3.97Å; I1165-L1178 HydrophobicContact CG1-CD2 3.85Å; Y1168-L1178 WeakPolarHBondContact O-CD1 3.41Å; N1169-L1178 PolarHBondContact O-N 3.13Å; N1169-L1178 VanDerWaalsContact O-N 3.13Å
1179V58Low80.9Confident183 Ų18358.6 Ų58.6100%1.10935%0.348SS*.  trans-96.10173.2-179.70000108.5A1177A1177-V1179 PolarHBondContact O-N 2.97Å

Retrieved 1,179 of 1,179 residues in 1898.8 ms (Link to these results)

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