A0A096M6N7_POEFO Loading...

Beta-2-syntrophin

Adapter protein that binds to and probably organizes the subcellular localization of a variety of membrane proteins. May link various receptors to the actin cytoskeleton and the dystrophin glycoprotein complex. May play a role in the regulation of secretory granules via its interaction with PTPRN.

AlphaFold DB , UniProt , Accession A0A096M6N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 593 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
1M34.3Very low67.9Low241 Ų24193.2 Ų93.2100%1.18752%0.524SS*.  01420-72.2-180-90.300108.2
2A39Very low70Confident70 Ų7092.7 Ų92.758%0.57951%0.514SS*.  trans-72.9133.5166.600000108.8W4A2-W4 PolarHBondContact O-N 2.71Å
3V44.2Very low72Confident135 Ų13585.7 Ų85.782%0.81848%0.475SS*.  trans-82.1103.1172178.90000107.2T5V3-T5 PolarHBondContact O-N 3.37Å
4W56Low73.5Confident73 Ų7380.5 Ų80.528%0.27745%0.446SS..  trans-62.5109.5170-61.6108.9000109.1A2 R6 T348 A351 A352 W474A2-W4 PolarHBondContact O-N 2.71Å; W4-R6 PolarHBondContact O-N 3.3Å; W4-T348 HydrophobicContact CB-CG2 4.47Å; W4-T348 HydrophobicContact CE3-CG2 4.03Å; W4-A351 HydrophobicContact CH2-CB 3.52Å; W4-A351 HydrophobicContact CZ2-CB 3.49Å; W4-A351 VanDerWaalsContact CZ2-CB 3.49Å; W4-A351 HydrophobicContact CZ3-CB 4.07Å; W4-A352 HydrophobicContact CB-CB 3.72Å; W4-A352 HydrophobicContact CG-CB 3.86Å; W4-W474 AromaticContact CH2-CD2 3.92Å; W4-W474 HydrophobicContact CH2-CD2 3.92Å; W4-W474 AromaticContact CH2-CE2 3.84Å; W4-W474 AromaticContact CH2-CE3 3.84Å; W4-W474 HydrophobicContact CH2-CE3 3.84Å; W4-W474 AromaticContact CH2-CH2 3.74Å; W4-W474 HydrophobicContact CH2-CH2 3.74Å; W4-W474 AromaticContact CH2-CZ2 3.77Å; W4-W474 HydrophobicContact CH2-CZ2 3.77Å; W4-W474 AromaticContact CH2-CZ3 3.75Å; W4-W474 HydrophobicContact CH2-CZ3 3.75Å; W4-W474 HydrophobicContact CZ2-CE3 4.37Å; W4-W474 AromaticContact CZ2-CH2 3.42Å; W4-W474 HydrophobicContact CZ2-CH2 3.42Å; W4-W474 VanDerWaalsContact CZ2-CH2 3.42Å; W4-W474 AromaticContact CZ2-CZ2 3.58Å; W4-W474 HydrophobicContact CZ2-CZ2 3.58Å; W4-W474 AromaticContact CZ2-CZ3 3.84Å; W4-W474 HydrophobicContact CZ2-CZ3 3.84Å
5T59.3Low74.8Confident117 Ų11775.1 Ų75.172%0.71842%0.417SS*.  trans-70.582.616850.40000108.2V3 A7V3-T5 PolarHBondContact O-N 3.37Å; T5-A7 PolarHBondContact O-N 2.89Å
6R71Confident75.7Confident56 Ų5673 Ų7321%0.21140%0.404CS..  trans-50.5124.1177.5-70.7-165.7178.6-172.7-2.6108.8W4 R30 E31 N349 A352 Q356W4-R6 PolarHBondContact O-N 3.3Å; R6-R30 HydrophobicContact CB-CG 4.13Å; R6-E31 IonicContact CZ-OE1 3.84Å; R6-E31 IonicContact NH1-OE1 3.19Å; R6-E31 PolarHBondContact NH1-OE1 3.45Å; R6-E31 IonicContact NH2-OE1 3.18Å; R6-N349 WeakPolarHBondContact CA-OD1 3.37Å; R6-A352 HydrophobicContact CG-CB 3.78Å; R6-A352 PolarHBondContact NH2-O 2.89Å; R6-Q356 VanDerWaalsContact NH2-OE1 3.12Å
7A78.1Confident76.2Confident30 Ų3069.6 Ų69.625%0.24839%0.385CS..  trans-99.6111.2-170.300000110.1T5 A345 N349T5-A7 PolarHBondContact O-N 2.89Å; A7-A345 HydrophobicContact CB-CB 3.9Å; A7-N349 PolarHBondContact N-OD1 3.03Å; A7-N349 PolarHBondContact O-ND2 2.95Å
8D87.1Confident76.5Confident92 Ų9274.1 Ų74.149%0.49240%0.395SS..  trans-87124.1166.4-60.8-55.7000107.3L28 T29 R30D8-L28 CarbonylContact C-O 3.55Å; D8-L28 WeakPolarHBondContact CA-O 3.37Å; D8-T29 VanDerWaalsContact OD1-CA 3.28Å; D8-T29 WeakPolarHBondContact OD1-CA 3.2Å; D8-R30 WeakPolarHBondContact OD1-CG 3.35Å; D8-R30 PolarHBondContact OD1-N 3.32Å; D8-R30 IonicContact OD2-CZ 3.15Å; D8-R30 IonicContact OD2-NE 2.75Å; D8-R30 PolarHBondContact OD2-NE 3.07Å; D8-R30 IonicContact OD2-NH2 2.71Å
9K92.1Very high76.7Confident48 Ų4878.4 Ų78.421%0.20942%0.418CS..EExtended strand (participates in β ladder)trans-147.7133.1-170.2-177.8-179.9177-176.30112.1L28 S341 W342 A345K9-L28 HydrophobicContact CB-CB 4.32Å; K9-L28 HydrophobicContact CB-CD2 4.31Å; K9-L28 PolarHBondContact N-O 2.93Å; K9-L28 WeakPolarHBondContact O-CB 3.41Å; K9-L28 PolarHBondContact O-N 2.64Å; K9-S341 VanDerWaalsContact NZ-C 3.34Å; K9-S341 PolarHBondContact NZ-O 2.8Å; K9-S341 PolarHBondContact NZ-OG 3.35Å; K9-W342 HydrophobicContact CB-CH2 4.49Å; K9-W342 HydrophobicContact CB-CZ3 4.26Å; K9-W342 HydrophobicContact CD-CD2 3.87Å; K9-W342 HydrophobicContact CD-CE3 3.78Å; K9-W342 HydrophobicContact CD-CH2 4.2Å; K9-W342 HydrophobicContact CD-CZ2 4.27Å; K9-W342 HydrophobicContact CD-CZ3 3.95Å; K9-W342 VanDerWaalsContact CE-CE2 3.45Å; K9-W342 HydrophobicContact CG-CE3 4.32Å; K9-W342 HydrophobicContact CG-CH2 3.91Å; K9-W342 HydrophobicContact CG-CZ2 4.22Å; K9-W342 HydrophobicContact CG-CZ3 3.96Å; K9-W342 VanDerWaalsContact NZ-CD1 3.32Å; K9-W342 VanDerWaalsContact NZ-CG 3.25Å; K9-A345 HydrophobicContact CD-CB 4.22Å
10N93.9Very high77.1Confident132 Ų13282 Ų8271%0.70643%0.425SS*.EExtended strand (participates in β ladder)trans-117.7164.517458.711.5000112.5A26N10-A26 CarbonylContact C-O 3.58Å; N10-A26 VanDerWaalsContact CA-O 3.26Å; N10-A26 WeakPolarHBondContact CA-O 3.16Å
11G92.5Very high77.7Confident31 Ų3182.2 Ų82.232%0.3242%0.421SS..EExtended strand (participates in β ladder)trans160.9-165.7173.700000113.6A26G11-A26 PolarHBondContact N-O 3.23Å; G11-A26 PolarHBondContact O-N 3.41Å
12Q93.1Very high80.3Confident87 Ų8772 Ų7241%0.40737%0.371SS..EExtended strand (participates in β ladder)trans-109.4137.2179.9-71.2-71.5-10.800110.8R23 V24 E38Q12-R23 VanDerWaalsContact OE1-CG 3.25Å; Q12-V24 PolarHBondContact OE1-O 3.43Å; Q12-E38 PolarHBondContact NE2-OE1 2.85Å
13L95.1Very high82.9Confident2 Ų274.7 Ų74.71%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-135.1160.8176.2-66.1178.7000109.9V24 A26 L331 C333 W342L13-V24 HydrophobicContact CB-CG2 4.23Å; L13-V24 PolarHBondContact N-O 2.82Å; L13-V24 PolarHBondContact O-N 2.87Å; L13-A26 HydrophobicContact CB-CB 4.48Å; L13-A26 HydrophobicContact CD1-CB 3.62Å; L13-A26 HydrophobicContact CG-CB 3.95Å; L13-L331 HydrophobicContact CD1-CB 4.33Å; L13-L331 HydrophobicContact CD1-CD1 4.01Å; L13-L331 HydrophobicContact CD1-CD2 4.36Å; L13-L331 HydrophobicContact CD1-CG 4.46Å; L13-C333 HydrophobicContact CD2-CB 4.39Å; L13-C333 WeakPolarHBondContact CD2-SG 3.44Å; L13-W342 HydrophobicContact CD1-CD2 4.43Å; L13-W342 HydrophobicContact CD2-CG 4.4Å
14D93.9Very high85.2Confident13 Ų1368.3 Ų68.37%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-102.7123.5164.1-56.2-34.1000109.3W21 I22 R23 L331 R332D14-W21 HydrophobicContact CB-CB 4.32Å; D14-W21 HydrophobicContact CB-CD2 4.5Å; D14-W21 HydrophobicContact CB-CE3 3.81Å; D14-W21 WeakPolarHBondContact O-CZ3 3.41Å; D14-I22 CarbonylContact C-O 3.56Å; D14-I22 WeakPolarHBondContact CA-O 3.27Å; D14-R23 VanDerWaalsContact CG-NH2 3.32Å; D14-R23 IonicContact OD1-CZ 3.98Å; D14-R23 IonicContact OD1-NE 3.8Å; D14-R23 PolarHBondContact OD1-NE 3.1Å; D14-R23 IonicContact OD1-NH2 3.21Å; D14-R23 PolarHBondContact OD1-NH2 2.94Å; D14-R23 IonicContact OD2-NH2 2.84Å; D14-R23 PolarHBondContact OD2-NH2 3.45Å; D14-L331 CarbonylContact O-C 3.6Å; D14-L331 WeakPolarHBondContact O-CA 3.22Å; D14-R332 HydrophobicContact CB-CB 4.25Å; D14-R332 PolarHBondContact N-O 3.05Å; D14-R332 PolarHBondContact O-N 3.02Å; D14-R332 IonicContact OD2-CZ 3.4Å; D14-R332 IonicContact OD2-NE 3.27Å; D14-R332 PolarHBondContact OD2-NE 2.68Å; D14-R332 VanDerWaalsContact OD2-NE 3.11Å; D14-R332 IonicContact OD2-NH2 3.11Å; D14-R332 PolarHBondContact OD2-NH2 3.09Å
15L93Very high87Confident0 Ų065.7 Ų65.70%032%0.323CS..EExtended strand (participates in β ladder)trans-88.5134172.7172.565.9000109.8W21 I22 V24 L35 V258 L261 V329 L331L15-W21 CarbonylContact O-C 3.56Å; L15-W21 WeakPolarHBondContact O-CA 3.4Å; L15-I22 PolarHBondContact N-O 3.47Å; L15-I22 PolarHBondContact O-N 3.29Å; L15-V24 HydrophobicContact CB-CG1 3.97Å; L15-V24 HydrophobicContact CB-CG2 3.95Å; L15-V24 HydrophobicContact CD2-CG1 4.23Å; L15-L35 HydrophobicContact CD1-CD1 4.38Å; L15-V258 HydrophobicContact CD2-CG2 4.05Å; L15-L261 HydrophobicContact CD2-CD1 4Å; L15-L261 HydrophobicContact CD2-CD2 4.4Å; L15-L261 HydrophobicContact CD2-CG 4.45Å; L15-V329 HydrophobicContact CD1-CG1 3.79Å; L15-L331 HydrophobicContact CB-CD2 4.45Å; L15-L331 HydrophobicContact CD1-CD2 4.02Å
16L89.1Confident88.8Confident41 Ų4160.3 Ų60.322%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-81.9122.5167-172.660.9000110.1W21 M310 V330L16-W21 HydrophobicContact CB-CE3 4.06Å; L16-W21 HydrophobicContact CB-CH2 3.87Å; L16-W21 HydrophobicContact CB-CZ2 4.39Å; L16-W21 HydrophobicContact CB-CZ3 3.69Å; L16-W21 HydrophobicContact CD1-CD2 4.2Å; L16-W21 HydrophobicContact CD1-CH2 4.47Å; L16-W21 HydrophobicContact CD1-CZ2 4.15Å; L16-W21 HydrophobicContact CD2-CH2 4.42Å; L16-W21 HydrophobicContact CD2-CZ2 4.46Å; L16-W21 HydrophobicContact CG-CH2 4.49Å; L16-M310 HydrophobicContact CD2-CE 4.16Å; L16-V330 HydrophobicContact CB-CB 4.05Å; L16-V330 HydrophobicContact CD2-CB 4.27Å; L16-V330 PolarHBondContact N-O 2.86Å
17L84.4Confident89.9Confident15 Ų1562.4 Ų62.48%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-146.5122.1176.8-175.3105.6000110.8D19 R20 I22 L257 L261L17-D19 VanDerWaalsContact C-N 3.31Å; L17-D19 PolarHBondContact O-N 3.3Å; L17-R20 PolarHBondContact N-O 2.64Å; L17-R20 PolarHBondContact O-N 2.95Å; L17-R20 VanDerWaalsContact O-N 3.17Å; L17-I22 HydrophobicContact CB-CD1 3.86Å; L17-I22 HydrophobicContact CD2-CD1 3.7Å; L17-I22 HydrophobicContact CG-CD1 4.43Å; L17-L257 VanDerWaalsContact CD1-O 3.29Å; L17-L257 WeakPolarHBondContact CD1-O 3.43Å; L17-L257 HydrophobicContact CD2-CB 4.4Å; L17-L257 WeakPolarHBondContact CD2-O 3.47Å; L17-L261 HydrophobicContact CD1-CD2 3.71Å; L17-L261 HydrophobicContact CD1-CG 4.22Å
18R80.6Confident90.8Very high151 Ų15161 Ų6157%0.5729%0.291SS*.THydrogen-bonded Turntrans47.856.1-177.9-61.8177.9178.6131.2-0.4110.8R20 D260R18-R20 PolarHBondContact O-N 3.17Å; R18-D260 IonicContact CZ-OD2 3.24Å; R18-D260 IonicContact NH1-OD2 2.81Å; R18-D260 PolarHBondContact NH1-OD2 2.78Å; R18-D260 IonicContact NH2-OD2 2.74Å; R18-D260 PolarHBondContact NH2-OD2 3.37Å
19D80.9Confident91Very high155 Ų15558.6 Ų58.683%0.82928%0.28SS*.THydrogen-bonded Turntrans57.719178.3-47.3-48000115.9L17L17-D19 VanDerWaalsContact C-N 3.31Å; L17-D19 PolarHBondContact O-N 3.3Å
20R85.1Confident90.9Very high150 Ų15062.8 Ų62.857%0.56629%0.294SS*.EExtended strand (participates in β ladder)trans-127.6141.2178.6-65.2180-63.4172.16.3111.4L17 R18L17-R20 PolarHBondContact N-O 2.64Å; L17-R20 PolarHBondContact O-N 2.95Å; L17-R20 VanDerWaalsContact O-N 3.17Å; R18-R20 PolarHBondContact O-N 3.17Å
21W89.3Confident90.7Very high88 Ų8860.8 Ų60.833%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-83.5126.7173.3-66.5101.9000110D14 L15 L16 L317 V330 R332D14-W21 HydrophobicContact CB-CB 4.32Å; D14-W21 HydrophobicContact CB-CD2 4.5Å; D14-W21 HydrophobicContact CB-CE3 3.81Å; D14-W21 WeakPolarHBondContact O-CZ3 3.41Å; L15-W21 CarbonylContact O-C 3.56Å; L15-W21 WeakPolarHBondContact O-CA 3.4Å; L16-W21 HydrophobicContact CB-CE3 4.06Å; L16-W21 HydrophobicContact CB-CH2 3.87Å; L16-W21 HydrophobicContact CB-CZ2 4.39Å; L16-W21 HydrophobicContact CB-CZ3 3.69Å; L16-W21 HydrophobicContact CD1-CD2 4.2Å; L16-W21 HydrophobicContact CD1-CH2 4.47Å; L16-W21 HydrophobicContact CD1-CZ2 4.15Å; L16-W21 HydrophobicContact CD2-CH2 4.42Å; L16-W21 HydrophobicContact CD2-CZ2 4.46Å; L16-W21 HydrophobicContact CG-CH2 4.49Å; W21-L317 HydrophobicContact CH2-CD2 3.7Å; W21-L317 HydrophobicContact CZ2-CD2 4.15Å; W21-V330 HydrophobicContact CH2-CG1 4.11Å; W21-R332 HydrophobicContact CE3-CB 3.88Å; W21-R332 HydrophobicContact CH2-CB 3.75Å; W21-R332 HydrophobicContact CZ2-CB 4.44Å; W21-R332 HydrophobicContact CZ3-CB 3.42Å; W21-R332 VanDerWaalsContact CZ3-CB 3.42Å
22I89.7Confident90.8Very high25 Ų2561 Ų6113%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-125.5127.3-176.8-53.9178.9000107.9D14 L15 L17 V24 L257D14-I22 CarbonylContact C-O 3.56Å; D14-I22 WeakPolarHBondContact CA-O 3.27Å; L15-I22 PolarHBondContact N-O 3.47Å; L15-I22 PolarHBondContact O-N 3.29Å; L17-I22 HydrophobicContact CB-CD1 3.86Å; L17-I22 HydrophobicContact CD2-CD1 3.7Å; L17-I22 HydrophobicContact CG-CD1 4.43Å; I22-V24 PolarHBondContact O-N 2.94Å; I22-L257 HydrophobicContact CD1-CB 3.96Å; I22-L257 HydrophobicContact CD1-CD1 4.19Å; I22-L257 HydrophobicContact CD1-CD2 4.19Å; I22-L257 HydrophobicContact CD1-CG 4.33Å; I22-L257 HydrophobicContact CG2-CD1 4.15Å
23R92.3Very high90.9Very high128 Ų12856.9 Ų56.948%0.48326%0.256SS..EExtended strand (participates in β ladder)trans-70131.5177.7-172.5135.5-67.91800.9110.7Q12 D14Q12-R23 VanDerWaalsContact OE1-CG 3.25Å; D14-R23 VanDerWaalsContact CG-NH2 3.32Å; D14-R23 IonicContact OD1-CZ 3.98Å; D14-R23 IonicContact OD1-NE 3.8Å; D14-R23 PolarHBondContact OD1-NE 3.1Å; D14-R23 IonicContact OD1-NH2 3.21Å; D14-R23 PolarHBondContact OD1-NH2 2.94Å; D14-R23 IonicContact OD2-NH2 2.84Å; D14-R23 PolarHBondContact OD2-NH2 3.45Å
24V93.4Very high90.8Very high0 Ų057.1 Ų57.10%026%0.258CS..EExtended strand (participates in β ladder)trans-133134.8178-62.90000111Q12 L13 L15 I22 A26 L35 T36 V258Q12-V24 PolarHBondContact OE1-O 3.43Å; L13-V24 HydrophobicContact CB-CG2 4.23Å; L13-V24 PolarHBondContact N-O 2.82Å; L13-V24 PolarHBondContact O-N 2.87Å; L15-V24 HydrophobicContact CB-CG1 3.97Å; L15-V24 HydrophobicContact CB-CG2 3.95Å; L15-V24 HydrophobicContact CD2-CG1 4.23Å; I22-V24 PolarHBondContact O-N 2.94Å; V24-A26 PolarHBondContact O-N 2.79Å; V24-L35 HydrophobicContact CG2-CD2 4.14Å; V24-T36 CarbonylContact C-O 3.58Å; V24-T36 WeakPolarHBondContact CA-O 3.28Å; V24-T36 WeakPolarHBondContact CB-O 3.19Å; V24-V258 HydrophobicContact CG1-CG2 3.88Å
25G94.2Very high90.7Very high19 Ų1956.5 Ų56.520%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-69.7122.9163.400000109.1T36G25-T36 PolarHBondContact N-O 2.9Å; G25-T36 PolarHBondContact O-N 2.93Å
26A95.3Very high90.6Very high4 Ų459 Ų593%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-110.3129.3-178.300000110.8N10 G11 L13 V24 T34 L35 W342N10-A26 CarbonylContact C-O 3.58Å; N10-A26 VanDerWaalsContact CA-O 3.26Å; N10-A26 WeakPolarHBondContact CA-O 3.16Å; G11-A26 PolarHBondContact N-O 3.23Å; G11-A26 PolarHBondContact O-N 3.41Å; L13-A26 HydrophobicContact CB-CB 4.48Å; L13-A26 HydrophobicContact CD1-CB 3.62Å; L13-A26 HydrophobicContact CG-CB 3.95Å; V24-A26 PolarHBondContact O-N 2.79Å; A26-T34 WeakPolarHBondContact CA-O 3.27Å; A26-L35 HydrophobicContact CB-CD2 3.9Å; A26-W342 HydrophobicContact CB-CH2 3.9Å; A26-W342 HydrophobicContact CB-CZ2 4.3Å; A26-W342 HydrophobicContact CB-CZ3 4.49Å
27E95.4Very high90.2Very high99 Ų9957.8 Ų57.846%0.46327%0.266SS..EExtended strand (participates in β ladder)trans-127.3100.2177.2179.2-176.2-167.700108.6T34E27-T34 PolarHBondContact N-O 3.46Å; E27-T34 PolarHBondContact O-N 2.93Å
28L96Very high89.5Confident2 Ų262 Ų621%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-83.2123.9170.1173.668.3000109.1D8 K9 L33 L299 W342 A345 I346D8-L28 CarbonylContact C-O 3.55Å; D8-L28 WeakPolarHBondContact CA-O 3.37Å; K9-L28 HydrophobicContact CB-CB 4.32Å; K9-L28 HydrophobicContact CB-CD2 4.31Å; K9-L28 PolarHBondContact N-O 2.93Å; K9-L28 WeakPolarHBondContact O-CB 3.41Å; K9-L28 PolarHBondContact O-N 2.64Å; L28-L33 HydrophobicContact CB-CD1 4.11Å; L28-L299 HydrophobicContact CD1-CD1 3.58Å; L28-W342 HydrophobicContact CB-CZ3 3.85Å; L28-A345 HydrophobicContact CD2-CB 3.57Å; L28-I346 HydrophobicContact CD1-CG1 4.1Å; L28-I346 HydrophobicContact CD2-CG1 3.93Å
29T92.9Very high87.9Confident40 Ų4058.8 Ų58.825%0.24529%0.291CS..  trans-107.4171.4164.976.70000110.1D8 E31 T32 N349D8-T29 VanDerWaalsContact OD1-CA 3.28Å; D8-T29 WeakPolarHBondContact OD1-CA 3.2Å; T29-E31 PolarHBondContact O-N 2.81Å; T29-E31 PolarHBondContact OG1-N 2.87Å; T29-T32 PolarHBondContact N-O 3.25Å; T29-T32 PolarHBondContact OG1-N 2.76Å; T29-T32 PolarHBondContact OG1-O 2.84Å; T29-T32 PolarHBondContact OG1-OG1 3.35Å; T29-N349 PolarHBondContact O-ND2 2.91Å
30R89.4Confident86.1Confident136 Ų13658.8 Ų58.851%0.51329%0.286SS..SBendtrans-39.2-33.1168.2-56.6-165.8176.1-161.4-6.1116.3R6 D8R6-R30 HydrophobicContact CB-CG 4.13Å; D8-R30 WeakPolarHBondContact OD1-CG 3.35Å; D8-R30 PolarHBondContact OD1-N 3.32Å; D8-R30 IonicContact OD2-CZ 3.15Å; D8-R30 IonicContact OD2-NE 2.75Å; D8-R30 PolarHBondContact OD2-NE 3.07Å; D8-R30 IonicContact OD2-NH2 2.71Å
31E89.6Confident83.6Confident91 Ų9158.1 Ų58.143%0.42530%0.298SS..SBendtrans-134.7-9.8-170.5-44.5-156.8153.800114.5R6 T29 L299 L353R6-E31 IonicContact CZ-OE1 3.84Å; R6-E31 IonicContact NH1-OE1 3.19Å; R6-E31 PolarHBondContact NH1-OE1 3.45Å; R6-E31 IonicContact NH2-OE1 3.18Å; T29-E31 PolarHBondContact O-N 2.81Å; T29-E31 PolarHBondContact OG1-N 2.87Å; E31-L299 PolarHBondContact O-N 2.8Å; E31-L353 HydrophobicContact CB-CD2 4.44Å; E31-L353 HydrophobicContact CG-CD2 4.05Å
32T93.6Very high80.9Confident35 Ų3560 Ų6022%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-139149.3-179.464.60000112.8T29 V296 I297T29-T32 PolarHBondContact N-O 3.25Å; T29-T32 PolarHBondContact OG1-N 2.76Å; T29-T32 PolarHBondContact OG1-O 2.84Å; T29-T32 PolarHBondContact OG1-OG1 3.35Å; T32-V296 HydrophobicContact CG2-CG1 3.8Å; T32-I297 CarbonylContact C-O 3.54Å; T32-I297 WeakPolarHBondContact CA-O 3.42Å; T32-I297 VanDerWaalsContact CB-O 3.29Å; T32-I297 WeakPolarHBondContact CB-O 3.25Å
33L94.9Very high78Confident0 Ų061.3 Ų61.30%034%0.344CS..EExtended strand (participates in β ladder)trans-104.6121.1159.8177.464.5000108.4L28 L35 I297 L299 L320 L331 I346L28-L33 HydrophobicContact CB-CD1 4.11Å; L33-L35 HydrophobicContact CD1-CD2 4.34Å; L33-L35 HydrophobicContact CD2-CD2 4.2Å; L33-L35 HydrophobicContact CG-CD2 4.1Å; L33-L35 HydrophobicContact CG-CG 4.43Å; L33-I297 HydrophobicContact CB-CB 4.39Å; L33-I297 PolarHBondContact N-O 3.21Å; L33-I297 WeakPolarHBondContact O-CB 3.44Å; L33-I297 PolarHBondContact O-N 2.94Å; L33-L299 HydrophobicContact CB-CD2 4.18Å; L33-L320 HydrophobicContact CD2-CD2 3.66Å; L33-L331 HydrophobicContact CD2-CD1 3.93Å; L33-I346 HydrophobicContact CD2-CD1 4.37Å
34T93.5Very high75.1Confident8 Ų864.9 Ų64.95%0.04937%0.366CS..EExtended strand (participates in β ladder)trans-104.5126.1177.1-59.20000109.4A26 E27 R294 K295 V296A26-T34 WeakPolarHBondContact CA-O 3.27Å; E27-T34 PolarHBondContact N-O 3.46Å; E27-T34 PolarHBondContact O-N 2.93Å; T34-R294 HydrophobicContact CG2-CG 3.52Å; T34-K295 CarbonylContact C-O 3.59Å; T34-K295 WeakPolarHBondContact CA-O 3.31Å; T34-V296 HydrophobicContact CG2-CG2 4.08Å
35L92.9Very high72.2Confident0 Ų069 Ų690%041%0.41CS..EExtended strand (participates in β ladder)trans-113.7128.9177-58.5179.6000109L15 V24 A26 L33 V258 L261 R294 K295 I297 V329 L331L15-L35 HydrophobicContact CD1-CD1 4.38Å; V24-L35 HydrophobicContact CG2-CD2 4.14Å; A26-L35 HydrophobicContact CB-CD2 3.9Å; L33-L35 HydrophobicContact CD1-CD2 4.34Å; L33-L35 HydrophobicContact CD2-CD2 4.2Å; L33-L35 HydrophobicContact CG-CD2 4.1Å; L33-L35 HydrophobicContact CG-CG 4.43Å; L35-V258 HydrophobicContact CB-CG1 4.13Å; L35-L261 HydrophobicContact CD1-CD1 4.48Å; L35-R294 CarbonylContact O-C 3.52Å; L35-R294 WeakPolarHBondContact O-CA 3.48Å; L35-K295 PolarHBondContact N-O 2.65Å; L35-K295 PolarHBondContact O-N 2.98Å; L35-I297 HydrophobicContact CD1-CD1 4.14Å; L35-V329 HydrophobicContact CD1-CG1 3.94Å; L35-L331 HydrophobicContact CD1-CD2 4.09Å; L35-L331 HydrophobicContact CD2-CD2 4.36Å
36T90.1Very high69.3Low53 Ų5371.5 Ų71.533%0.32544%0.435SS..EExtended strand (participates in β ladder)trans-123.9123.7-180-48.60000109.7V24 G25 D293 R294V24-T36 CarbonylContact C-O 3.58Å; V24-T36 WeakPolarHBondContact CA-O 3.28Å; V24-T36 WeakPolarHBondContact CB-O 3.19Å; G25-T36 PolarHBondContact N-O 2.9Å; G25-T36 PolarHBondContact O-N 2.93Å; T36-D293 CarbonylContact C-O 3.54Å; T36-D293 WeakPolarHBondContact CA-O 3.46Å; T36-R294 HydrophobicContact CG2-CB 4.29Å; T36-R294 WeakPolarHBondContact OG1-CG 3.33Å
37A80.6Confident66.1Low14 Ų1478.3 Ų78.312%0.11647%0.47CS..EExtended strand (participates in β ladder)trans-68.6135.517500000110.4A39 V258 D293A37-A39 PolarHBondContact O-N 2.94Å; A37-V258 HydrophobicContact CB-CB 4.31Å; A37-V258 HydrophobicContact CB-CG2 3.55Å; A37-D293 HydrophobicContact CB-CB 3.96Å; A37-D293 PolarHBondContact N-O 2.82Å
38E69.3Low62.9Low104 Ų10481.1 Ų81.149%0.48648%0.483SS..  trans-75.9125.3169.3-59-161.5132.200109.5Q12 E40Q12-E38 PolarHBondContact NE2-OE1 2.85Å; E38-E40 PolarHBondContact O-N 2.85Å
39A48.5Very low60Low83 Ų8391.3 Ų91.369%0.68652%0.522SS*.  trans-71.8111.8173.600000109.1A37 V41A37-A39 PolarHBondContact O-N 2.94Å; A39-V41 PolarHBondContact O-N 3.36Å
40E41.5Very low57Low156 Ų15695.7 Ų95.773%0.72954%0.544SS*.  trans-46.7112.1176.7-66.6175.513800111.4E38 S42 K254E38-E40 PolarHBondContact O-N 2.85Å; E40-S42 PolarHBondContact O-N 2.87Å; E40-K254 IonicContact OE2-NZ 2.71Å
41V33.4Very low54.2Low135 Ų13599.1 Ų99.182%0.81856%0.558SS**  trans-74.599.8178.1-179.40000108.5A39 G43A39-V41 PolarHBondContact O-N 3.36Å; V41-G43 VanDerWaalsContact C-N 3.25Å; V41-G43 PolarHBondContact O-N 3.23Å
42S32.1Very low51.4Low127 Ų127101 Ų10189%0.88858%0.578SS**  trans-7376.717659.30000111E40E40-S42 PolarHBondContact O-N 2.87Å
43G29Very low48.5Very low53 Ų53105 Ų10555%0.54661%0.608SS.*  trans-173.293.5-177.800000115.4V41V41-G43 VanDerWaalsContact C-N 3.25Å; V41-G43 PolarHBondContact O-N 3.23Å
44Q32Very low45.5Very low203 Ų203109.8 Ų109.895%0.94965%0.647SS**  trans50.7103.6152.1-64.5-179.7-21.400120.1
45G32.8Very low42.3Very low88 Ų88113 Ų11391%0.90768%0.681SS**  trans98.3129.8135.300000118.1
46G32.1Very low39.4Very low70 Ų70121.5 Ų121.572%0.72273%0.726SS**  trans110.199.4159.600000116.3
47N29.4Very low36.5Very low147 Ų147130.7 Ų130.779%0.78676%0.755SS**  trans95.981.4153.5-53.6-7.7000117.4
48H28.2Very low34Very low159 Ų159138.3 Ų138.374%0.73679%0.794SS**  trans-67.8132.1153.9-166.240.9000109D50H48-D50 IonicContact CD2-OD1 3.13Å; H48-D50 PolarHBondContact CD2-OD1 3.28Å; H48-D50 IonicContact NE2-OD1 3.81Å
49W34.2Very low32Very low216 Ų216137 Ų13782%0.81881%0.808SS**  trans-90.498.2167.2-71.8102.1000108.1Y51W49-Y51 PolarHBondContact O-N 2.94Å
50D29.8Very low31Very low131 Ų131141.9 Ų141.970%0.70182%0.819SS**  trans-62.9124.4-179.4-70.6-50.4000111.6H48 P52H48-D50 IonicContact CD2-OD1 3.13Å; H48-D50 PolarHBondContact CD2-OD1 3.28Å; H48-D50 IonicContact NE2-OD1 3.81Å; D50-P52 WeakPolarHBondContact O-CD 3.41Å
51Y30.8Very low30.4Very low208 Ų208139.3 Ų139.382%0.81682%0.818SS**  trans-98111168.5-87.6-94.7000109.8W49 S53W49-Y51 PolarHBondContact O-N 2.94Å; Y51-S53 PolarHBondContact O-N 2.89Å
52P30.5Very low30.2Very low130 Ų130140.9 Ų140.984%0.84482%0.822SS**  trans-70105.7171.928.1-32.6000110D50D50-P52 WeakPolarHBondContact O-CD 3.41Å
53S32.1Very low30Very low120 Ų120138 Ų13884%0.83981%0.813SS**  trans-85.9111.2175.9-64.90000111.2Y51Y51-S53 PolarHBondContact O-N 2.89Å
54A31.7Very low30Very low101 Ų101143.9 Ų143.984%0.83583%0.831SS**  trans-146.3144.5164.700000109.6
55G27.1Very low30.1Very low74 Ų74140.9 Ų140.976%0.76382%0.822SS**  cis126.794.85.400000110.2R57G55-R57 PolarHBondContact O-N 2.78Å
56L32.6Very low30.7Very low180 Ų180142.8 Ų142.894%0.94282%0.818SS**  trans-59.3128.1-176.4-72.1161.7000112.6
57R27.8Very low30.5Very low246 Ų246142.2 Ų142.293%0.92881%0.813SS**  trans-161.9141.9153.9-113.2163.1-169.1-124.2-1.3113G55G55-R57 PolarHBondContact O-N 2.78Å
58N29.9Very low30.6Very low174 Ų174141.4 Ų141.493%0.9382%0.818SS**  trans-79153.1170.1-76.7-12000111.3
59G26.2Very low30.7Very low77 Ų77139.5 Ų139.579%0.79482%0.823SS**  trans-167.4143167.400000110.1
60M28.1Very low31.4Very low184 Ų184135.7 Ų135.791%0.90683%0.826SS**  trans-120.1160.7-171.8-79176.1145.200113.2
61S28.2Very low31.2Very low102 Ų102133.1 Ų133.171%0.71383%0.83SS**  trans72.7130.2146.962.10000121.7
62N29.4Very low31.3Very low169 Ų169130.6 Ų130.690%0.90483%0.831SS**  trans63.9149.7148.9-55.2-2000118.7
63G27.1Very low32.3Very low67 Ų67130.5 Ų130.569%0.69183%0.83SS**  cis163.3166.1-6.200000112.8
64N30.8Very low32.3Very low175 Ų175127.3 Ų127.394%0.93682%0.816SS**  trans81126.7175.2-65.23.4000120
65D32.7Very low32.3Very low140 Ų140135 Ų13575%0.74982%0.824SS**  trans-87.1169160.1-141.2-50.7000109G67D65-G67 PolarHBondContact OD1-N 2.84Å
66P46.3Very low32.5Very low128 Ų128134.8 Ų134.883%0.83182%0.821SS**  -154114.986.936.4-15000117.5
67G28.5Very low32.5Very low59 Ų59131.7 Ų131.761%0.60882%0.815SS**  57.5134.911100000122.7D65D65-G67 PolarHBondContact OD1-N 2.84Å
68S30.7Very low32.8Very low129 Ų129125 Ų12590%0.90281%0.806SS**  trans-166.9150.1144.7-83.90000112.1
69S30.9Very low33Very low119 Ų119122.1 Ų122.183%0.83280%0.799SS**  trans-151.8155.4176.4-58.60000110.5
70P47.3Very low33.2Very low137 Ų137121.6 Ų121.689%0.8979%0.794SS**  -143.4172.498.937-21.4000113.4
71G27.3Very low33.4Very low76 Ų76122.2 Ų122.278%0.78480%0.795SS**  cis-170177.71.700000113.3
72N33Very low33.5Very low155 Ų155124.9 Ų124.983%0.82980%0.801SS**  trans-94.1-173-177.7-131.1-11.7000111
73P50.8Low33.5Very low128 Ų128124.4 Ų124.483%0.83179%0.793SS**  cis-127.417717.839.5-20.8000115.5
74G31.3Very low33.7Very low53 Ų53127.3 Ų127.355%0.54679%0.792SS.*  cis161.4-161.2-4.100000113.1
75R33.2Very low33.6Very low263 Ų263126.6 Ų126.699%0.99278%0.784SS**  trans72.9134-170-57.8-179.4172-174.7-2.5114.9
76G29.6Very low33.5Very low69 Ų69125.8 Ų125.871%0.71178%0.779SS**  cis174.6132.1-10.800000114.4
77S34.5Very low32.7Very low115 Ų115126.2 Ų126.280%0.80477%0.77SS**  trans32115.6149.1-48.70000120.1
78S33Very low32.8Very low107 Ų107128.8 Ų128.875%0.74877%0.77SS**  106.2162.671.980.60000110.4
79S33.9Very low32.9Very low112 Ų112130.8 Ų130.878%0.78377%0.765SS**  cis-165.5157.42.516.80000111.2
80G30.6Very low32.9Very low67 Ų67130.8 Ų130.869%0.69176%0.759SS**  trans97.8114149.900000115.1
81Q32.2Very low32Very low196 Ų196129.5 Ų129.592%0.91675%0.749SS**  50.5115.857.2-72.4-175.2-44.100114.1
82D29.6Very low32.1Very low158 Ų158137.5 Ų137.585%0.84576%0.756SS**  -155.8-16495.4-134.1-37.4000113.1
83Q31.1Very low31.8Very low159 Ų159133.4 Ų133.474%0.74375%0.75SS**  trans-126.8170.8-148.6-165.2-175.6115.500115
84L30.5Very low30.7Very low128 Ų128139.4 Ų139.467%0.6776%0.756SS**  trans113.8116.6150.2-61.1166.4000120.9
85Q29.1Very low30.6Very low160 Ų160141.8 Ų141.875%0.74876%0.764SS**  53.6146.6128.6-62.8-175.62.500125
86N29.7Very low30.3Very low124 Ų124134.7 Ų134.766%0.66376%0.755SS**  trans68160.2150.6-81.1-8.8000118.8
87Q30.5Very low30.5Very low137 Ų137137 Ų13764%0.6476%0.76SS**  cis-167.4155-37.6-129.4-176.96700107.7
88N31.1Very low30.9Very low113 Ų113138 Ų13860%0.60476%0.764SS**  trans61.1131.4154.4-55.8-21.4000122.3
89H32.7Very low30.6Very low171 Ų171135.8 Ų135.879%0.79276%0.758SS**  trans62.4154.1135.3-70.6-42.2000122.2
90V29.7Very low30.6Very low118 Ų118143.1 Ų143.172%0.71577%0.769SS**  cis-168.2158.5-29.683.10000111
91V29.7Very low30.3Very low111 Ų111143.7 Ų143.767%0.67377%0.774SS**  trans73.9118.4153.1160.10000122.9
92R27.8Very low30.2Very low244 Ų244139.6 Ų139.692%0.92177%0.767SS**  trans58.6143.7139.2-64.5177.5-174.3175.6-0.5124.5
93G26.6Very low30.3Very low69 Ų69138.2 Ų138.271%0.71176%0.764SS**  trans130.2115.2163.300000110.7
94R28.6Very low30.1Very low253 Ų253136.6 Ų136.696%0.95577%0.77SS**  cis48.312348.5-74.3-166.4178.6-154.90.7111.9
95S28.8Very low30Very low104 Ų104140.7 Ų140.773%0.72778%0.777SS**  cis-166.6178.712.754.20000114.1
96S27.8Very low30Very low113 Ų113137 Ų13779%0.7977%0.768SS**  trans85124.3150.6-49.10000120.8
97S33.9Very low29.9Very low117 Ų117137.9 Ų137.982%0.81877%0.769SS**  trans-88.4167.3157.6-43.30000110.9
98P41.8Very low29.9Very low136 Ų136142.4 Ų142.488%0.88378%0.782SS**  -145.2-178.580.135.6-15.9000113.7
99G28Very low29.7Very low61 Ų61144.3 Ų144.363%0.62979%0.792SS**  cis161.6167.3-700000113
100R31.9Very low29.5Very low267 Ų267140.1 Ų140.1100%1.00879%0.794SS**  trans71.5149.9-175.6-50.4179.2174.8-151.9-2.8114.2
101G25.6Very low29.3Very low78 Ų78141 Ų14180%0.80480%0.795SS**  cis-174.8-166.3-0.800000109.2
102S29.9Very low29.4Very low111 Ų111146.6 Ų146.678%0.77681%0.806SS**  cis-171.8122.9-8.7-178.10000113.1
103V30.6Very low29.2Very low129 Ų129138.2 Ų138.278%0.78280%0.796SS**  trans53.7131.4145.7-175.90000122.8
104S28.1Very low29.2Very low124 Ų124141 Ų14187%0.86780%0.799SS**  trans-172.4175.1131.3-860000116.2
105R28.7Very low29.1Very low215 Ų215136 Ų13681%0.81179%0.791SS**  trans-137.6175.2-154-146.1-172.3157.7-176.5-7.2109.9
106S29.4Very low29Very low81 Ų81135.6 Ų135.657%0.56679%0.788SS**  cis-162.5161.320.7-57.70000114.7
107Q27.6Very low29Very low143 Ų143135.3 Ų135.367%0.66879%0.786SS**  trans46.4144.5138.3-71.8171.7-80.700124
108Y30.4Very low28.6Very low233 Ų233132.9 Ų132.991%0.91478%0.779SS**  -158.9167.2118.5-113.3-74.5000112.2
109D26.8Very low28Very low153 Ų153135.3 Ų135.382%0.81878%0.776SS**  trans-92168.2-170.6-80.4-64.7000116.2
110G28Very low27.9Very low82 Ų82142.3 Ų142.385%0.84579%0.785SS**  trans-177.4115.6165.200000114.6
111N25.1Very low28.5Very low137 Ų137135.7 Ų135.773%0.73378%0.776SS**  trans-127.2141.4-176.7161.970000111.8
112Y31.2Very low28.7Very low228 Ų228137.1 Ų137.189%0.89477%0.77SS**  trans-166.4154.1149-90.7-59.7000111.8
113G25.3Very low28.6Very low69 Ų69139.7 Ų139.771%0.71178%0.775SS**  trans-100.4-149.6172.800000112.7
114V26.2Very low28.3Very low128 Ų128137 Ų13778%0.77677%0.772SS**  cis-167.4169.4-3.898.30000109.2
115N25.4Very low28.4Very low148 Ų148135.6 Ų135.679%0.79177%0.769SS**  trans68.7160.3170.2-74.9-12.3000119.3
116S27.1Very low28.3Very low95 Ų95132.8 Ų132.866%0.66477%0.77SS**  cis-170.3165.4-34.7-164.60000111.4
117S27.3Very low28.3Very low106 Ų106133.4 Ų133.474%0.74177%0.774SS**  trans1.5150155.560.20000121.9
118G26.2Very low28.4Very low66 Ų66133.3 Ų133.368%0.6878%0.778SS**  cis126.3169.24.800000114
119K28.7Very low28.2Very low188 Ų188132.5 Ų132.582%0.81778%0.78SS**  trans80.8130.4178.1-55.4-177.8-180179.10114.8
120Y26.2Very low28.1Very low207 Ų207128.6 Ų128.681%0.81278%0.776SS**  74.7144.355.9-60.3-45.2000112.4
121P44.3Very low28.5Very low128 Ų128130.6 Ų130.683%0.83178%0.777SS**  cis-122.5-13638.534.7-14.5000117
122V30.6Very low29.1Very low109 Ų109130.5 Ų130.566%0.66178%0.784SS**  -165.8165.7-121.4142.50000112.7
123N27.6Very low28.9Very low165 Ų165122.5 Ų122.588%0.88277%0.771SS**  trans81.6150.5173.7-64.9-21.2000118.2
124G25.2Very low29Very low71 Ų71125.7 Ų125.773%0.73278%0.782SS**  cis165.1159.3-12.200000116.8
125A29Very low28.9Very low96 Ų96122 Ų12279%0.79377%0.771SS**  trans68.4119.9152.700000125.2
126N27.4Very low29.2Very low155 Ų155126.8 Ų126.883%0.82978%0.779SS**  80151.4127.6-77.921.1000127.5
127S30Very low29.1Very low94 Ų94125.8 Ų125.866%0.65778%0.784SS**  trans80.5103.2149.847.70000123.5
128D28.3Very low29.3Very low141 Ų141126.6 Ų126.675%0.75479%0.79SS**  73.6155.4115.1-52.5-36.7000125.6
129F26.8Very low29.8Very low216 Ų216129.5 Ų129.595%0.94780%0.797SS**  trans71.2133.9163.3-77.6-78.7000121.6
130G24.8Very low29.7Very low72 Ų72123.5 Ų123.574%0.74279%0.788SS**  trans149.6106.2155.400000116.6
131S35Very low29.9Very low123 Ų123119.4 Ų119.486%0.8679%0.789SS**  trans-149.6131159.6-70.30000110
132P38.2Very low29.1Very low135 Ų135117.2 Ų117.288%0.87778%0.777SS**  -140.2175.3121.237-23.5000111.7
133G26.9Very low28.9Very low61 Ų61122 Ų12263%0.62979%0.79SS**  cis144.5127.9-6.300000112.7
134S27.6Very low28.9Very low135 Ų135117.5 Ų117.594%0.94478%0.782SS**  trans62.2159.7178.8740000116.7
135G25Very low29.2Very low52 Ų52119.8 Ų119.854%0.53679%0.787SS.*  cis-179.7-176.2-1.600000112.1
136Y30.5Very low29.2Very low247 Ų247126 Ų12697%0.96979%0.79SS**  trans66.6145.8-179.8-42.3-79.8000115.7
137G24.8Very low29.3Very low75 Ų75127 Ų12777%0.77379%0.79SS**  cis176.4139.7-9.800000111.4
138S33.3Very low29.2Very low122 Ų122126 Ų12685%0.85379%0.794SS**  trans-90.1152.8176.7-53.20000112.2
139P35.4Very low29.4Very low128 Ų128126.9 Ų126.983%0.83180%0.799SS**  -135.2174.393.938.9-28.8000112.5
140G27.1Very low30Very low61 Ų61122.2 Ų122.263%0.62979%0.79SS**  cis140.6117-6.700000113.3
141S29.4Very low30.9Very low121 Ų121123.9 Ų123.985%0.84679%0.788SS**  trans72162.4164.381.10000119.6
142S28Very low30.9Very low83 Ų83123.7 Ų123.758%0.5878%0.781SS**  cis-174.4160.3-37.4-87.10000110.2
143F27.1Very low30.5Very low209 Ų209124.9 Ų124.992%0.91778%0.78SS**  trans69.5153.9164.5-48.2-62.8000117
144G27.8Very low31.2Very low71 Ų71130.4 Ų130.473%0.73279%0.794SS**  cis-159.6168.11.800000114.2
145S30.2Very low31.5Very low118 Ų118131.6 Ų131.683%0.82579%0.79SS**  trans-91.3158.6-169.4-34.20000114.5
146R29.2Very low31.8Very low228 Ų228131.8 Ų131.886%0.8679%0.792SS**  trans165.1147144.5-93.7166.6-171.1-157.82.3110.1
147Q30.1Very low32.1Very low175 Ų175126.2 Ų126.282%0.81879%0.789SS**  cis-170.2146.2-18.9-141.8170.9-9.800108.6
148G28Very low32.9Very low73 Ų73126.2 Ų126.275%0.75378%0.778SS**  trans120.7109.1159.100000118.5
149D31.3Very low34.1Very low160 Ų160123 Ų12386%0.85675%0.749SS**  trans-83.8-176.3162.3-46.7-87.9000110.6
150P41.2Very low36Very low118 Ų118120.7 Ų120.777%0.76674%0.741SS**  cis-133.4-1453.133.5-6.8000112.4
151P41.9Very low38.7Very low106 Ų106121.6 Ų121.669%0.68873%0.734SS**  -126.8173.2-81.540.2-25.2000115.2
152V36Very low41.6Very low120 Ų120118.7 Ų118.773%0.72770%0.704SS**  trans58.7114.1163.1-145.30000118.3
153N28.7Very low44.5Very low159 Ų159121.7 Ų121.785%0.8571%0.707SS**  -171.9137.7111.7-94.8-39.7000113.3
154L42.7Very low47.5Very low177 Ų177112.2 Ų112.293%0.92767%0.666SS**  trans-90.4118.7164-78154000107.7
155D32.9Very low50.4Low160 Ų160117.1 Ų117.186%0.85666%0.662SS**  trans-148.6150.6156.2-155.2-4.5000111.1
156G32.1Very low53.1Low56 Ų56111.7 Ų111.758%0.57762%0.624SS**  trans-80.5160.4-178.900000112.8S158G156-S158 PolarHBondContact O-N 2.93Å
157S35.8Very low55.8Low130 Ų130104.7 Ų104.791%0.90961%0.607SS**  trans-75.157-179.947.70000113.7E159S157-E159 PolarHBondContact O-N 3.37Å
158S43.7Very low58.3Low76 Ų7698.1 Ų98.153%0.53158%0.576SS.*  trans-63.7108.9168.9153.10000110.3G156 A160 K243G156-S158 PolarHBondContact O-N 2.93Å; S158-A160 PolarHBondContact O-N 3.26Å; S158-K243 WeakPolarHBondContact OG-CE 3.39Å; S158-K243 PolarHBondContact OG-NZ 3.34Å
159E57.9Low60.7Low54 Ų5497.5 Ų97.525%0.25255%0.553SS.*PPolyproline II helixtrans-54.1133.7174.6-73.2-170.5-154.500111.8S157 K243 Y244 R246S157-E159 PolarHBondContact O-N 3.37Å; E159-K243 VanDerWaalsContact O-CE 3.22Å; E159-K243 WeakPolarHBondContact O-CE 3.27Å; E159-Y244 WeakPolarHBondContact OE2-CD1 3.47Å; E159-R246 IonicContact OE1-CZ 3.29Å; E159-R246 IonicContact OE1-NE 3.78Å; E159-R246 PolarHBondContact OE1-NE 2.78Å; E159-R246 IonicContact OE1-NH2 2.76Å; E159-R246 PolarHBondContact OE1-NH2 3.47Å
160A74.3Confident62.4Low79 Ų7998.1 Ų98.165%0.65355%0.551SS**PPolyproline II helixtrans-64.7152.1-173.800000113S158 R162S158-A160 PolarHBondContact O-N 3.26Å; A160-R162 PolarHBondContact O-N 2.82Å
161V84Confident63.3Low80 Ų8098.4 Ų98.449%0.48556%0.556SS.*PPolyproline II helixtrans-67.8128.7173.8-179.80000109.6L212 E241 K243V161-L212 HydrophobicContact CG1-CD1 3.98Å; V161-L212 HydrophobicContact CG2-CD1 3.77Å; V161-E241 HydrophobicContact CG1-CB 4.16Å; V161-K243 HydrophobicContact CG2-CB 4.49Å
162R90.2Very high64.4Low61 Ų6194.2 Ų94.223%0.2353%0.531CS..EExtended strand (participates in β ladder)trans-107.9124.4-176.6-57.3-175.1-69.4115-1.6109.5A160 V164 A204 D209 V242A160-R162 PolarHBondContact O-N 2.82Å; R162-V164 HydrophobicContact CB-CG2 4.44Å; R162-A204 PolarHBondContact NH1-O 3.07Å; R162-D209 IonicContact CZ-OD1 3.86Å; R162-D209 IonicContact CZ-OD2 2.87Å; R162-D209 IonicContact NH2-OD1 3.35Å; R162-D209 PolarHBondContact NH2-OD1 2.8Å; R162-D209 IonicContact NH2-OD2 2.78Å; R162-D209 PolarHBondContact NH2-OD2 2.84Å; R162-V242 HydrophobicContact CB-CG2 4.15Å; R162-V242 PolarHBondContact N-O 3.19Å; R162-V242 PolarHBondContact O-N 2.89Å
163K88.5Confident66.5Low145 Ų14590.8 Ų90.863%0.6352%0.52SS*.EExtended strand (participates in β ladder)trans-91.9114.5174.4-162.8158-171.5152.90109.2T239 L240 E241K163-T239 HydrophobicContact CD-CG2 4.25Å; K163-T239 HydrophobicContact CG-CG2 3.77Å; K163-L240 CarbonylContact C-O 3.55Å; K163-L240 WeakPolarHBondContact CA-O 3.29Å; K163-E241 HydrophobicContact CB-CG 4.32Å; K163-E241 HydrophobicContact CD-CG 4.02Å; K163-E241 WeakPolarHBondContact CD-OE1 3.27Å; K163-E241 VanDerWaalsContact CE-OE1 3.22Å; K163-E241 WeakPolarHBondContact CE-OE1 3.42Å; K163-E241 HydrophobicContact CG-CG 3.9Å; K163-E241 IonicContact NZ-OE1 2.77Å; K163-E241 PolarHBondContact NZ-OE1 2.79Å
164V90Very high69Low10 Ų1083.9 Ų83.96%0.06148%0.483CS..EExtended strand (participates in β ladder)trans-118131.1-171.3176.40000109.4R162 V166 A204 L205 T239 L240 V242R162-V164 HydrophobicContact CB-CG2 4.44Å; V164-V166 HydrophobicContact CG1-CG2 3.96Å; V164-A204 HydrophobicContact CB-CB 4.41Å; V164-A204 HydrophobicContact CG1-CB 3.49Å; V164-A204 VanDerWaalsContact CG1-CB 3.49Å; V164-A204 HydrophobicContact CG2-CB 4.06Å; V164-L205 HydrophobicContact CB-CD2 3.99Å; V164-L205 HydrophobicContact CG1-CD2 3.72Å; V164-L205 HydrophobicContact CG1-CG 3.96Å; V164-L205 HydrophobicContact CG2-CD2 4.23Å; V164-T239 CarbonylContact O-C 3.58Å; V164-T239 WeakPolarHBondContact O-CA 3.33Å; V164-L240 PolarHBondContact N-O 2.91Å; V164-L240 PolarHBondContact O-N 2.78Å; V164-V242 HydrophobicContact CG2-CG2 4Å
165R89.1Confident71.1Confident174 Ų17475.9 Ų75.966%0.65744%0.444SS*.EExtended strand (participates in β ladder)trans-116.7122.5-177.4-162.3166.369.8135.1-9.2109.7E237 V238R165-E237 WeakPolarHBondContact CD-OE1 3.47Å; R165-E237 HydrophobicContact CG-CG 4.1Å; R165-E237 WeakPolarHBondContact CG-OE1 3.5Å; R165-E237 IonicContact CZ-OE1 3.16Å; R165-E237 VanDerWaalsContact CZ-OE1 3.24Å; R165-E237 IonicContact NE-OE1 2.73Å; R165-E237 PolarHBondContact NE-OE1 3.29Å; R165-E237 IonicContact NH1-OE1 3.69Å; R165-E237 PolarHBondContact NH1-OE1 2.97Å; R165-V238 CarbonylContact C-O 3.59Å; R165-V238 WeakPolarHBondContact CA-O 3.45Å
166V87.9Confident73.7Confident4 Ų469.7 Ų69.72%0.02441%0.411CS..EExtended strand (participates in β ladder)trans-127.4130.1-175.5-172.30000109.7V164 L174 A198 L205 V238V164-V166 HydrophobicContact CG1-CG2 3.96Å; V166-L174 HydrophobicContact CB-CD1 3.88Å; V166-L174 HydrophobicContact CG1-CD1 3.63Å; V166-A198 HydrophobicContact CG1-CB 3.79Å; V166-L205 HydrophobicContact CG2-CD1 4.21Å; V166-V238 PolarHBondContact N-O 3.07Å; V166-V238 PolarHBondContact O-N 3.28Å
167V84.9Confident76.3Confident82 Ų8269.3 Ų69.350%0.49740%0.399SS..EExtended strand (participates in β ladder)trans-98.5126.7176-176.90000108.7A198 K236V167-A198 VanDerWaalsContact O-CB 3.29Å; V167-A198 WeakPolarHBondContact O-CB 3.47Å; V167-K236 CarbonylContact C-O 3.55Å; V167-K236 WeakPolarHBondContact CA-O 3.21Å; V167-K236 HydrophobicContact CG1-CG 4.18Å; V167-K236 WeakPolarHBondContact CG1-O 3.29Å
168K83.9Confident78.8Confident37 Ų3764 Ų6416%0.16136%0.36CS..PPolyproline II helixtrans-70.6142.1177.1-60.7-174.7-175.3177.70110.1L231 A234 G235 K236 V238K168-L231 PolarHBondContact NZ-O 2.73Å; K168-A234 PolarHBondContact NZ-O 2.87Å; K168-G235 VanDerWaalsContact CD-O 3.29Å; K168-G235 WeakPolarHBondContact CD-O 3.19Å; K168-G235 VanDerWaalsContact CE-O 3.31Å; K168-G235 WeakPolarHBondContact CE-O 3.46Å; K168-K236 PolarHBondContact N-O 3.01Å; K168-V238 HydrophobicContact CD-CG2 4.39Å; K168-V238 VanDerWaalsContact CE-CG2 3.42Å; K168-V238 HydrophobicContact CG-CG2 4.22Å
169Q78.6Confident80.7Confident59 Ų5965.5 Ų65.528%0.27636%0.357SS..BIsolated β-bridgetrans-74.7152.1174-67.2168.80.100109.8S171 G172 G196 Q201Q169-S171 PolarHBondContact O-N 3.01Å; Q169-G172 PolarHBondContact N-O 3.14Å; Q169-G172 PolarHBondContact O-N 3.45Å; Q169-G172 VanDerWaalsContact O-N 3.07Å; Q169-G196 PolarHBondContact NE2-O 2.96Å; Q169-Q201 VanDerWaalsContact NE2-NE2 3.14Å
170E65.6Low82Confident173 Ų17363.2 Ų63.281%0.80835%0.349SS*.THydrogen-bonded Turntrans-69.4-20.6-172.5-54.6-166.4147.700113.4K236E170-K236 IonicContact OE1-NZ 2.66Å; E170-K236 PolarHBondContact OE1-NZ 3.13Å
171S60.2Low82.3Confident125 Ų12559.5 Ų59.587%0.87432%0.318SS*.THydrogen-bonded Turntrans-113.51117254.70000113.6Q169Q169-S171 PolarHBondContact O-N 3.01Å
172G65.6Low82Confident17 Ų1763 Ų6318%0.17532%0.322CS..BIsolated β-bridgetrans-141.2131.4-16700000115.2Q169Q169-G172 PolarHBondContact N-O 3.14Å; Q169-G172 PolarHBondContact O-N 3.45Å; Q169-G172 VanDerWaalsContact O-N 3.07Å
173G79Confident81.4Confident48 Ų4864.6 Ų64.650%0.49533%0.332SS..  trans-66.8176.7171.600000113.4G175G173-G175 PolarHBondContact O-N 3.3Å; G173-G175 VanDerWaalsContact O-N 3.08Å
174L83.1Confident80.6Confident14 Ų1462.1 Ų62.17%0.07333%0.326CS..  trans-57.3-27.8-176.7-177.260.3000113.9V166 I176 A199 L231 V238 L240V166-L174 HydrophobicContact CB-CD1 3.88Å; V166-L174 HydrophobicContact CG1-CD1 3.63Å; L174-I176 HydrophobicContact CD2-CD1 3.7Å; L174-I176 HydrophobicContact CD2-CG1 3.96Å; L174-I176 HydrophobicContact CG-CD1 4.34Å; L174-I176 HydrophobicContact CG-CG1 4.2Å; L174-A199 WeakPolarHBondContact O-CB 3.36Å; L174-A199 PolarHBondContact O-N 2.97Å; L174-L231 HydrophobicContact CD2-CD2 3.93Å; L174-V238 HydrophobicContact CD1-CG2 4.45Å; L174-L240 HydrophobicContact CD2-CD1 4.48Å
175G85.3Confident79.9Confident10 Ų1073.2 Ų73.210%0.10337%0.367CS..  trans83.825.6174.300000115.4G173 F194G173-G175 PolarHBondContact O-N 3.3Å; G173-G175 VanDerWaalsContact O-N 3.08Å; G175-F194 PolarHBondContact O-N 3.1Å
176I88.3Confident79.3Confident29 Ų2967.8 Ų67.815%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-121.6151172.965.4177.7000111.6L174 I178 I190 K192 I193 A199 L205 I211 L231L174-I176 HydrophobicContact CD2-CD1 3.7Å; L174-I176 HydrophobicContact CD2-CG1 3.96Å; L174-I176 HydrophobicContact CG-CD1 4.34Å; L174-I176 HydrophobicContact CG-CG1 4.2Å; I176-I178 HydrophobicContact CD1-CG2 4.15Å; I176-I178 HydrophobicContact CG1-CG2 4.49Å; I176-I190 HydrophobicContact CB-CG2 4.4Å; I176-I190 HydrophobicContact CD1-CD1 4.26Å; I176-I190 HydrophobicContact CD1-CG1 4.32Å; I176-I190 HydrophobicContact CG2-CD1 4.49Å; I176-I190 HydrophobicContact CG2-CG2 4.37Å; I176-K192 CarbonylContact C-O 3.51Å; I176-K192 WeakPolarHBondContact CA-O 3.41Å; I176-I193 HydrophobicContact CG2-CG1 4.24Å; I176-A199 HydrophobicContact CG2-CB 3.41Å; I176-A199 VanDerWaalsContact CG2-CB 3.41Å; I176-L205 HydrophobicContact CG2-CD1 4.17Å; I176-I211 HydrophobicContact CD1-CD1 4Å; I176-L231 HydrophobicContact CD1-CD1 4.3Å
177S87.3Confident79.2Confident48 Ų4869.9 Ų69.934%0.33636%0.363SS..EExtended strand (participates in β ladder)trans-114.6122.6166.6176.50000109.1S191 K192S177-S191 PolarHBondContact O-N 2.64Å; S177-S191 PolarHBondContact O-OG 2.96Å; S177-S191 PolarHBondContact OG-OG 2.99Å; S177-K192 PolarHBondContact N-O 2.93Å; S177-K192 PolarHBondContact O-N 2.85Å
178I88.4Confident79.4Confident18 Ų1866 Ų669%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-98156.4-18058.2161.7000112.5I176 I188 L189 I211 A227 V228 L231I176-I178 HydrophobicContact CD1-CG2 4.15Å; I176-I178 HydrophobicContact CG1-CG2 4.49Å; I178-I188 HydrophobicContact CB-CG2 4.21Å; I178-I188 HydrophobicContact CD1-CG2 3.81Å; I178-I188 HydrophobicContact CG2-CG2 4.24Å; I178-L189 CarbonylContact C-O 3.6Å; I178-L189 WeakPolarHBondContact CA-O 3.47Å; I178-I211 HydrophobicContact CG2-CD1 3.86Å; I178-A227 HydrophobicContact CD1-CB 3.8Å; I178-V228 HydrophobicContact CD1-CG2 3.87Å; I178-V228 HydrophobicContact CG1-CG2 4.26Å; I178-L231 HydrophobicContact CD1-CD1 3.91Å; I178-L231 HydrophobicContact CG1-CD1 4.45Å; I178-L231 HydrophobicContact CG2-CD1 4.01Å
179K82.8Confident79.7Confident108 Ų10864.5 Ų64.547%0.4733%0.333SS..EExtended strand (participates in β ladder)trans-135169.8169.4-74.6-174.2179-172.50109.7L189 F252K179-L189 PolarHBondContact N-O 2.8Å; K179-L189 PolarHBondContact O-N 3.17Å; K179-F252 HydrophobicContact CD-CD1 4.41Å; K179-F252 HydrophobicContact CD-CE1 4.42Å
180G84.3Confident80.2Confident7 Ų761.7 Ų61.77%0.07232%0.32CS..EExtended strand (participates in β ladder)trans79.7179.3-176.500000113H224G180-H224 WeakPolarHBondContact O-CB 3.48Å; G180-H224 PolarHBondContact O-ND1 3.42Å
181G81.8Confident81Confident0 Ų054.5 Ų54.50%029%0.289CS..EExtended strand (participates in β ladder)trans148.5154.2-16800000109.9E183 N184 R185 M186G181-E183 VanDerWaalsContact CA-OE1 3.25Å; G181-E183 WeakPolarHBondContact CA-OE1 3.38Å; G181-E183 PolarHBondContact O-N 2.8Å; G181-N184 CarbonylContact O-C 3.53Å; G181-N184 WeakPolarHBondContact O-CA 3.48Å; G181-N184 PolarHBondContact O-N 3.1Å; G181-R185 PolarHBondContact O-N 2.92Å; G181-M186 CarbonylContact C-O 3.58Å; G181-M186 VanDerWaalsContact C-O 3.24Å; G181-M186 WeakPolarHBondContact CA-O 3.36Å; G181-M186 PolarHBondContact N-O 3.15Å; G181-M186 PolarHBondContact O-N 3.31Å; G181-M186 VanDerWaalsContact O-O 3.06Å
182R78.3Confident82.1Confident153 Ų15353.8 Ų53.858%0.57727%0.27SS*.G310 helixtrans-53.8-37.8-177.1178.4175.7165.1125.1-5.1112.9N184 R185 E221 A222R182-N184 PolarHBondContact O-N 2.85Å; R182-R185 PolarHBondContact O-N 2.86Å; R182-E221 WeakPolarHBondContact CD-O 3.48Å; R182-E221 WeakPolarHBondContact CD-OE2 3.39Å; R182-E221 IonicContact CZ-OE2 3.13Å; R182-E221 IonicContact NE-OE2 2.72Å; R182-E221 IonicContact NH1-OE2 3.93Å; R182-E221 PolarHBondContact NH1-OE2 2.88Å; R182-A222 PolarHBondContact N-O 3.21Å
183E76.4Confident83.1Confident95 Ų9554.4 Ų54.444%0.44427%0.269SS..G310 helixtrans-61.8-28.8176.872.4-58.1133.500113.5G181 T223 H224G181-E183 VanDerWaalsContact CA-OE1 3.25Å; G181-E183 WeakPolarHBondContact CA-OE1 3.38Å; G181-E183 PolarHBondContact O-N 2.8Å; E183-T223 WeakPolarHBondContact OE2-CA 3.49Å; E183-T223 WeakPolarHBondContact OE2-CB 3.09Å; E183-H224 PolarHBondContact OE2-N 3.24Å
184N72.4Confident83.4Confident94 Ų9456.1 Ų56.150%0.50326%0.263SS..G310 helixtrans-94.66.3176.3-76.9-75000113.5G181 R182 M186G181-N184 CarbonylContact O-C 3.53Å; G181-N184 WeakPolarHBondContact O-CA 3.48Å; G181-N184 PolarHBondContact O-N 3.1Å; R182-N184 PolarHBondContact O-N 2.85Å; N184-M186 HydrophobicContact CB-CE 3.82Å; N184-M186 PolarHBondContact O-N 3.13Å
185R74.8Confident83.4Confident242 Ų24260.4 Ų60.491%0.91329%0.292SS*.THydrogen-bonded Turntrans5231.5-173.6-55.6-176.9-176.41761.2113.8G181 R182G181-R185 PolarHBondContact O-N 2.92Å; R182-R185 PolarHBondContact O-N 2.86Å
186M77.2Confident83.1Confident60 Ų6061.9 Ų61.930%0.29631%0.307SS..EExtended strand (participates in β ladder)trans-129.4142.8179.9-75.2-175.3-77.900110.5G181 N184 L251G181-M186 CarbonylContact C-O 3.58Å; G181-M186 VanDerWaalsContact C-O 3.24Å; G181-M186 WeakPolarHBondContact CA-O 3.36Å; G181-M186 PolarHBondContact N-O 3.15Å; G181-M186 PolarHBondContact O-N 3.31Å; G181-M186 VanDerWaalsContact O-O 3.06Å; N184-M186 HydrophobicContact CB-CE 3.82Å; N184-M186 PolarHBondContact O-N 3.13Å; M186-L251 HydrophobicContact SD-CD1 4.2Å; M186-L251 HydrophobicContact SD-CD2 4.03Å
187P84.4Confident83.1Confident49 Ų4963.2 Ų63.232%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-64.516017229-34.6000111.3L189 A210 I245P187-L189 HydrophobicContact CG-CD1 4.06Å; P187-L189 HydrophobicContact CG-CG 4.16Å; P187-L189 WeakPolarHBondContact O-CD1 3.49Å; P187-L189 WeakPolarHBondContact O-CG 3.37Å; P187-L189 PolarHBondContact O-N 2.72Å; P187-A210 HydrophobicContact CB-CB 4.39Å; P187-I245 HydrophobicContact CG-CD1 4.43Å
188I90.3Very high83Confident1 Ų161.1 Ų61.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-67.1119.5173.4-55.7-57.8000109.4I178 A210 I211 L219 A227I178-I188 HydrophobicContact CB-CG2 4.21Å; I178-I188 HydrophobicContact CD1-CG2 3.81Å; I178-I188 HydrophobicContact CG2-CG2 4.24Å; I188-A210 CarbonylContact O-C 3.59Å; I188-A210 VanDerWaalsContact O-CA 3.23Å; I188-A210 WeakPolarHBondContact O-CA 3.47Å; I188-I211 HydrophobicContact CB-CB 4.46Å; I188-I211 HydrophobicContact CG2-CB 4.15Å; I188-I211 HydrophobicContact CG2-CD1 4.26Å; I188-I211 HydrophobicContact CG2-CG1 4.43Å; I188-I211 PolarHBondContact O-N 2.77Å; I188-L219 HydrophobicContact CG1-CB 4.31Å; I188-A227 HydrophobicContact CB-CB 4.44Å; I188-A227 HydrophobicContact CD1-CB 3.45Å; I188-A227 VanDerWaalsContact CD1-CB 3.45Å; I188-A227 HydrophobicContact CG1-CB 3.66Å; I188-A227 HydrophobicContact CG2-CB 3.93Å
189L89.1Confident82.9Confident4 Ų460.2 Ų60.22%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-128.4134-168-77.6157.3000112.5I178 K179 P187 S191 D209 A210 V248 F252I178-L189 CarbonylContact C-O 3.6Å; I178-L189 WeakPolarHBondContact CA-O 3.47Å; K179-L189 PolarHBondContact N-O 2.8Å; K179-L189 PolarHBondContact O-N 3.17Å; P187-L189 HydrophobicContact CG-CD1 4.06Å; P187-L189 HydrophobicContact CG-CG 4.16Å; P187-L189 WeakPolarHBondContact O-CD1 3.49Å; P187-L189 WeakPolarHBondContact O-CG 3.37Å; P187-L189 PolarHBondContact O-N 2.72Å; L189-S191 PolarHBondContact O-N 3.46Å; L189-D209 WeakPolarHBondContact CA-O 3.46Å; L189-A210 HydrophobicContact CD2-CB 3.81Å; L189-V248 HydrophobicContact CD1-CG1 3.58Å; L189-V248 HydrophobicContact CD1-CG2 4.39Å; L189-V248 HydrophobicContact CD2-CB 4.45Å; L189-V248 HydrophobicContact CD2-CG1 3.87Å; L189-V248 HydrophobicContact CD2-CG2 4.29Å; L189-V248 HydrophobicContact CG-CG1 4.32Å; L189-F252 HydrophobicContact CB-CZ 4.2Å
190I90.2Very high83Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-71.6108.8172.4-59.3-176000109.1I176 I193 L205 G208 D209 I211I176-I190 HydrophobicContact CB-CG2 4.4Å; I176-I190 HydrophobicContact CD1-CD1 4.26Å; I176-I190 HydrophobicContact CD1-CG1 4.32Å; I176-I190 HydrophobicContact CG2-CD1 4.49Å; I176-I190 HydrophobicContact CG2-CG2 4.37Å; I190-I193 HydrophobicContact CG2-CD1 4.32Å; I190-I193 HydrophobicContact CG2-CG1 3.74Å; I190-L205 HydrophobicContact CD1-CB 4.08Å; I190-L205 HydrophobicContact CD1-CD1 4.12Å; I190-L205 HydrophobicContact CD1-CD2 4.07Å; I190-L205 HydrophobicContact CD1-CG 4.32Å; I190-G208 PolarHBondContact O-N 2.96Å; I190-D209 HydrophobicContact CD1-CB 4.13Å; I190-D209 HydrophobicContact CG1-CB 4.43Å; I190-D209 PolarHBondContact N-O 3.25Å; I190-I211 HydrophobicContact CD1-CD1 4.4Å; I190-I211 HydrophobicContact CD1-CG1 4.38Å; I190-I211 HydrophobicContact CG1-CD1 4.01Å; I190-I211 HydrophobicContact CG1-CG1 4.04Å
191S81Confident83Confident22 Ų2263.8 Ų63.815%0.15431%0.313CS..EExtended strand (participates in β ladder)trans-94.6-26.2-177.275.60000114.1S177 L189 V207 F252S177-S191 PolarHBondContact O-N 2.64Å; S177-S191 PolarHBondContact O-OG 2.96Å; S177-S191 PolarHBondContact OG-OG 2.99Å; L189-S191 PolarHBondContact O-N 3.46Å; S191-V207 WeakPolarHBondContact O-CG1 3.37Å; S191-F252 VanDerWaalsContact CB-CE1 3.46Å
192K83.2Confident83Confident111 Ų11165.7 Ų65.748%0.48333%0.327SS..EExtended strand (participates in β ladder)trans-153.3141.7173.3-174.3173.1-179.1178.40109.6I176 S177 F194I176-K192 CarbonylContact C-O 3.51Å; I176-K192 WeakPolarHBondContact CA-O 3.41Å; S177-K192 PolarHBondContact N-O 2.93Å; S177-K192 PolarHBondContact O-N 2.85Å; K192-F194 HydrophobicContact CD-CE1 4.28Å; K192-F194 HydrophobicContact CD-CZ 4.32Å
193I86.5Confident83.2Confident30 Ų3069 Ų6915%0.15434%0.339CS..EExtended strand (participates in β ladder)trans-106.7137.8163.9-57.2178.8000106.6I176 I190 A199 D200 L205 V207I176-I193 HydrophobicContact CG2-CG1 4.24Å; I190-I193 HydrophobicContact CG2-CD1 4.32Å; I190-I193 HydrophobicContact CG2-CG1 3.74Å; I193-A199 HydrophobicContact CG2-CB 4.03Å; I193-D200 HydrophobicContact CG2-CB 3.85Å; I193-L205 HydrophobicContact CD1-CB 3.97Å; I193-L205 WeakPolarHBondContact CD1-O 3.47Å; I193-V207 HydrophobicContact CG1-CG2 4.12Å
194F85.3Confident83.4Confident84 Ų8466.1 Ų66.137%0.36833%0.332SS..  trans-95.4125.5-179.7-71.4-89.8000110.1G175 K192 L197 D200G175-F194 PolarHBondContact O-N 3.1Å; K192-F194 HydrophobicContact CD-CE1 4.28Å; K192-F194 HydrophobicContact CD-CZ 4.32Å; F194-L197 HydrophobicContact CB-CD1 3.92Å; F194-L197 HydrophobicContact CB-CG 4.39Å; F194-L197 PolarHBondContact O-N 2.77Å; F194-D200 WeakPolarHBondContact O-CB 3.44Å
195P83.4Confident84.1Confident104 Ų10462 Ų6268%0.67531%0.31SS*.THydrogen-bonded Turntrans-63.2144.4-173.626.4-34.9000112L197 D200P195-L197 PolarHBondContact O-N 3.2Å; P195-D200 WeakPolarHBondContact CA-OD2 2.98Å
196G80.6Confident84.6Confident40 Ų4056.7 Ų56.741%0.41229%0.29SS..THydrogen-bonded Turntrans77.6-10.217900000115.9Q169 D200 Q201Q169-G196 PolarHBondContact NE2-O 2.96Å; G196-D200 PolarHBondContact N-OD2 2.92Å; G196-Q201 PolarHBondContact O-NE2 3.36Å
197L87.1Confident85Confident57 Ų5757.1 Ų57.130%0.29830%0.296SS..SBendtrans-88.2169.8175.7-62.1-172.5000112.2F194 P195 A199 D200 Q201F194-L197 HydrophobicContact CB-CD1 3.92Å; F194-L197 HydrophobicContact CB-CG 4.39Å; F194-L197 PolarHBondContact O-N 2.77Å; P195-L197 PolarHBondContact O-N 3.2Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.48Å; L197-A199 VanDerWaalsContact O-N 3.16Å; L197-D200 WeakPolarHBondContact O-CB 3.24Å; L197-D200 PolarHBondContact O-N 3.45Å; L197-Q201 PolarHBondContact O-N 2.91Å
198A84.9Confident84.7Confident4 Ų455.1 Ų55.13%0.03328%0.284CS..Hα-helixtrans-49.9-43.9-170.800000114.9V166 V167 S202V166-A198 HydrophobicContact CG1-CB 3.79Å; V167-A198 VanDerWaalsContact O-CB 3.29Å; V167-A198 WeakPolarHBondContact O-CB 3.47Å; A198-S202 WeakPolarHBondContact O-CB 3.43Å; A198-S202 PolarHBondContact O-N 3.38Å
199A86.6Confident84.7Confident0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-64.2-40.5176.800000113.8L174 I176 I193 L197 S202 L205L174-A199 WeakPolarHBondContact O-CB 3.36Å; L174-A199 PolarHBondContact O-N 2.97Å; I176-A199 HydrophobicContact CG2-CB 3.41Å; I176-A199 VanDerWaalsContact CG2-CB 3.41Å; I193-A199 HydrophobicContact CG2-CB 4.03Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.48Å; L197-A199 VanDerWaalsContact O-N 3.16Å; A199-S202 PolarHBondContact O-N 2.87Å; A199-S202 PolarHBondContact O-OG 2.78Å; A199-L205 HydrophobicContact CB-CD1 3.9Å
200D85.6Confident84.7Confident67 Ų6754.9 Ų54.936%0.35828%0.283SS..Hα-helixtrans-68.3-46.8177.6-177.459.8000111I193 F194 P195 G196 L197 S202 R203I193-D200 HydrophobicContact CG2-CB 3.85Å; F194-D200 WeakPolarHBondContact O-CB 3.44Å; P195-D200 WeakPolarHBondContact CA-OD2 2.98Å; G196-D200 PolarHBondContact N-OD2 2.92Å; L197-D200 WeakPolarHBondContact O-CB 3.24Å; L197-D200 PolarHBondContact O-N 3.45Å; D200-S202 PolarHBondContact O-N 3.4Å; D200-R203 VanDerWaalsContact O-CG 3.31Å; D200-R203 WeakPolarHBondContact O-CG 3.26Å; D200-R203 PolarHBondContact O-N 3.07Å
201Q83.1Confident84.8Confident122 Ų12255 Ų5557%0.5728%0.283SS*.Hα-helixtrans-59-33.7175.3-68.5-177.6-13.400112.5Q169 G196 L197 R203Q169-Q201 VanDerWaalsContact NE2-NE2 3.14Å; G196-Q201 PolarHBondContact O-NE2 3.36Å; L197-Q201 PolarHBondContact O-N 2.91Å; Q201-R203 VanDerWaalsContact C-N 3.26Å; Q201-R203 PolarHBondContact O-N 3.22Å
202S82.5Confident85.2Confident40 Ų4055.1 Ų55.128%0.2828%0.283SS..Hα-helixtrans-65.1-27.2175.8830000113.8A198 A199 D200 A204A198-S202 WeakPolarHBondContact O-CB 3.43Å; A198-S202 PolarHBondContact O-N 3.38Å; A199-S202 PolarHBondContact O-N 2.87Å; A199-S202 PolarHBondContact O-OG 2.78Å; D200-S202 PolarHBondContact O-N 3.4Å; S202-A204 PolarHBondContact O-N 3.4Å; S202-A204 PolarHBondContact OG-N 3.16Å
203R82.2Confident85.6Confident222 Ų22250.1 Ų50.184%0.83826%0.261SS*.  trans50.85-172.4-62.1-175.1173.6-176-1.4116.6D200 Q201D200-R203 VanDerWaalsContact O-CG 3.31Å; D200-R203 WeakPolarHBondContact O-CG 3.26Å; D200-R203 PolarHBondContact O-N 3.07Å; Q201-R203 VanDerWaalsContact C-N 3.26Å; Q201-R203 PolarHBondContact O-N 3.22Å
204A81.3Confident85.8Confident36 Ų3648.8 Ų48.830%0.29825%0.254SS..  trans-93.8-24.6-173.600000112.9R162 V164 S202R162-A204 PolarHBondContact NH1-O 3.07Å; V164-A204 HydrophobicContact CB-CB 4.41Å; V164-A204 HydrophobicContact CG1-CB 3.49Å; V164-A204 VanDerWaalsContact CG1-CB 3.49Å; V164-A204 HydrophobicContact CG2-CB 4.06Å; S202-A204 PolarHBondContact O-N 3.4Å; S202-A204 PolarHBondContact OG-N 3.16Å
205L87Confident86Confident8 Ų848.5 Ų48.54%0.04226%0.257CS..  trans-87.5148.4171.4-60.5177.3000111V164 V166 I176 I190 I193 A199 L240 V242V164-L205 HydrophobicContact CB-CD2 3.99Å; V164-L205 HydrophobicContact CG1-CD2 3.72Å; V164-L205 HydrophobicContact CG1-CG 3.96Å; V164-L205 HydrophobicContact CG2-CD2 4.23Å; V166-L205 HydrophobicContact CG2-CD1 4.21Å; I176-L205 HydrophobicContact CG2-CD1 4.17Å; I190-L205 HydrophobicContact CD1-CB 4.08Å; I190-L205 HydrophobicContact CD1-CD1 4.12Å; I190-L205 HydrophobicContact CD1-CD2 4.07Å; I190-L205 HydrophobicContact CD1-CG 4.32Å; I193-L205 HydrophobicContact CD1-CB 3.97Å; I193-L205 WeakPolarHBondContact CD1-O 3.47Å; A199-L205 HydrophobicContact CB-CD1 3.9Å; L205-L240 HydrophobicContact CD1-CD1 3.72Å; L205-L240 HydrophobicContact CD2-CD1 3.88Å; L205-L240 HydrophobicContact CG-CD1 4.41Å; L205-V242 HydrophobicContact CD2-CG1 4Å; L205-V242 HydrophobicContact CD2-CG2 4.34Å
206R85.4Confident85.9Confident129 Ų12946.4 Ų46.449%0.48726%0.255SS..  trans-130151.4178-60.4177.8-179.9168.8-0.7110.6G208 D209 Y244R206-G208 PolarHBondContact O-N 3.15Å; R206-D209 PolarHBondContact N-OD2 3.03Å; R206-D209 WeakPolarHBondContact O-CB 3.32Å; R206-D209 PolarHBondContact O-N 3.2Å; R206-D209 VanDerWaalsContact O-N 3.16Å; R206-Y244 HydrophobicContact CB-CD2 4.43Å; R206-Y244 HydrophobicContact CB-CE2 4.48Å
207V84.6Confident86.3Confident69 Ų6949.6 Ų49.642%0.41826%0.262SS..THydrogen-bonded Turntrans-66.7130.9167.1177.20000108.3S191 I193S191-V207 WeakPolarHBondContact O-CG1 3.37Å; I193-V207 HydrophobicContact CG1-CG2 4.12Å
208G79.4Confident86.4Confident7 Ų751.2 Ų51.27%0.07227%0.271CS..THydrogen-bonded Turntrans90.92.4-169.700000115.2I190 R206 I245I190-G208 PolarHBondContact O-N 2.96Å; R206-G208 PolarHBondContact O-N 3.15Å; G208-I245 PolarHBondContact O-N 2.96Å
209D89.2Confident86.6Confident0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans-72.1128.6164-82.5-28.3000110.8R162 L189 I190 R206 V242 Y244R162-D209 IonicContact CZ-OD1 3.86Å; R162-D209 IonicContact CZ-OD2 2.87Å; R162-D209 IonicContact NH2-OD1 3.35Å; R162-D209 PolarHBondContact NH2-OD1 2.8Å; R162-D209 IonicContact NH2-OD2 2.78Å; R162-D209 PolarHBondContact NH2-OD2 2.84Å; L189-D209 WeakPolarHBondContact CA-O 3.46Å; I190-D209 HydrophobicContact CD1-CB 4.13Å; I190-D209 HydrophobicContact CG1-CB 4.43Å; I190-D209 PolarHBondContact N-O 3.25Å; R206-D209 PolarHBondContact N-OD2 3.03Å; R206-D209 WeakPolarHBondContact O-CB 3.32Å; R206-D209 PolarHBondContact O-N 3.2Å; R206-D209 VanDerWaalsContact O-N 3.16Å; D209-V242 HydrophobicContact CB-CB 4.09Å; D209-V242 HydrophobicContact CB-CG1 4.48Å; D209-V242 HydrophobicContact CB-CG2 4.44Å; D209-Y244 VanDerWaalsContact OD1-CA 3.28Å; D209-Y244 WeakPolarHBondContact OD1-CA 3.41Å; D209-Y244 WeakPolarHBondContact OD1-CB 3.35Å; D209-Y244 PolarHBondContact OD1-N 2.85Å
210A88.9Confident86.5Confident0 Ų058.3 Ų58.30%030%0.297CS..EExtended strand (participates in β ladder)trans-85.6128.5166.500000110.1P187 I188 L189 L212 V242 K243 I245P187-A210 HydrophobicContact CB-CB 4.39Å; I188-A210 CarbonylContact O-C 3.59Å; I188-A210 VanDerWaalsContact O-CA 3.23Å; I188-A210 WeakPolarHBondContact O-CA 3.47Å; L189-A210 HydrophobicContact CD2-CB 3.81Å; A210-L212 PolarHBondContact O-N 3.12Å; A210-V242 CarbonylContact O-C 3.58Å; A210-V242 WeakPolarHBondContact O-CA 3.43Å; A210-K243 PolarHBondContact N-O 3.45Å; A210-K243 PolarHBondContact O-N 3.42Å; A210-I245 HydrophobicContact CB-CD1 3.54Å; A210-I245 HydrophobicContact CB-CG1 3.99Å
211I92.3Very high86.2Confident2 Ų261 Ų611%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-85.4110.4176.8-52.1179.9000108.3I176 I178 I188 I190 V214 L219 L231 L240 V242I176-I211 HydrophobicContact CD1-CD1 4Å; I178-I211 HydrophobicContact CG2-CD1 3.86Å; I188-I211 HydrophobicContact CB-CB 4.46Å; I188-I211 HydrophobicContact CG2-CB 4.15Å; I188-I211 HydrophobicContact CG2-CD1 4.26Å; I188-I211 HydrophobicContact CG2-CG1 4.43Å; I188-I211 PolarHBondContact O-N 2.77Å; I190-I211 HydrophobicContact CD1-CD1 4.4Å; I190-I211 HydrophobicContact CD1-CG1 4.38Å; I190-I211 HydrophobicContact CG1-CD1 4.01Å; I190-I211 HydrophobicContact CG1-CG1 4.04Å; I211-V214 HydrophobicContact CG2-CG2 3.81Å; I211-L219 HydrophobicContact CG2-CD1 4.2Å; I211-L231 HydrophobicContact CD1-CD1 4.21Å; I211-L231 HydrophobicContact CD1-CD2 4.45Å; I211-L240 HydrophobicContact CG2-CD2 4.3Å; I211-V242 HydrophobicContact CG1-CG1 4.31Å
212L90.1Very high86.2Confident26 Ų2655.5 Ų55.514%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-87.9-35.3178.7-54.4-177000111.8V161 A210 D218 L219 R220 E241 K243V161-L212 HydrophobicContact CG1-CD1 3.98Å; V161-L212 HydrophobicContact CG2-CD1 3.77Å; A210-L212 PolarHBondContact O-N 3.12Å; L212-D218 VanDerWaalsContact O-OD1 3.09Å; L212-L219 PolarHBondContact O-N 3.47Å; L212-R220 HydrophobicContact CD2-CG 4.21Å; L212-E241 WeakPolarHBondContact CB-O 3.23Å; L212-E241 PolarHBondContact N-O 2.9Å; L212-K243 HydrophobicContact CD1-CB 4.07Å
213S90.9Very high86.5Confident5 Ų555.9 Ų55.94%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-15015817583.60000113.2N217 L240 E241S213-N217 CarbonylContact C-O 3.51Å; S213-N217 WeakPolarHBondContact CA-O 3.3Å; S213-N217 VanDerWaalsContact CB-O 3.31Å; S213-N217 WeakPolarHBondContact CB-O 3.37Å; S213-L240 WeakPolarHBondContact O-CA 3.34Å; S213-E241 PolarHBondContact N-O 3.48Å; S213-E241 PolarHBondContact O-N 3.16Å; S213-E241 VanDerWaalsContact O-N 3.08Å; S213-E241 WeakPolarHBondContact OG-CB 3.23Å; S213-E241 WeakPolarHBondContact OG-CG 3.34Å; S213-E241 PolarHBondContact OG-OE2 3.47Å
214V92.3Very high86.7Confident2 Ų248.1 Ų48.11%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-132.3116.8175.9-177.90000109.2I211 G216 N217 L219 A230 L231 A234 V238 L240I211-V214 HydrophobicContact CG2-CG2 3.81Å; V214-G216 PolarHBondContact O-N 2.92Å; V214-G216 VanDerWaalsContact O-N 3.11Å; V214-N217 PolarHBondContact N-O 3.36Å; V214-N217 WeakPolarHBondContact O-CB 3.38Å; V214-N217 PolarHBondContact O-N 3.11Å; V214-L219 HydrophobicContact CB-CD1 4.4Å; V214-L219 HydrophobicContact CG2-CD1 3.42Å; V214-L219 VanDerWaalsContact CG2-CD1 3.42Å; V214-L219 HydrophobicContact CG2-CG 4.19Å; V214-A230 HydrophobicContact CB-CB 4.45Å; V214-L231 HydrophobicContact CG1-CD2 4.11Å; V214-L231 HydrophobicContact CG2-CD2 3.69Å; V214-L231 HydrophobicContact CG2-CG 4.26Å; V214-A234 HydrophobicContact CG1-CB 4.12Å; V214-V238 HydrophobicContact CG1-CG1 4Å; V214-L240 HydrophobicContact CB-CD2 4.28Å; V214-L240 HydrophobicContact CG1-CD2 4.11Å; V214-L240 HydrophobicContact CG2-CD2 3.71Å
215N88.9Confident87Confident78 Ų7851.4 Ų51.442%0.41727%0.27SS..THydrogen-bonded Turntrans50.729.9-175.6-69.94.3000113.9E237 V238 T239N215-E237 PolarHBondContact ND2-O 3.15Å; N215-V238 WeakPolarHBondContact OD1-CA 3.5Å; N215-T239 PolarHBondContact N-O 3.07Å; N215-T239 PolarHBondContact OD1-N 3.31Å; N215-T239 PolarHBondContact OD1-O 2.68Å
216G81.9Confident86.9Confident61 Ų6156.2 Ų56.263%0.62929%0.293SS*.THydrogen-bonded Turntrans92.9-10.8-177.100000115.2V214 D218V214-G216 PolarHBondContact O-N 2.92Å; V214-G216 VanDerWaalsContact O-N 3.11Å; G216-D218 PolarHBondContact O-N 3.3Å
217N88.4Confident87Confident107 Ų10750 Ų5057%0.57227%0.27SS*.EExtended strand (participates in β ladder)trans-78.7118.7171.7-65.2-4.8000109.6S213 V214S213-N217 CarbonylContact C-O 3.51Å; S213-N217 WeakPolarHBondContact CA-O 3.3Å; S213-N217 VanDerWaalsContact CB-O 3.31Å; S213-N217 WeakPolarHBondContact CB-O 3.37Å; V214-N217 PolarHBondContact N-O 3.36Å; V214-N217 WeakPolarHBondContact O-CB 3.38Å; V214-N217 PolarHBondContact O-N 3.11Å
218D88.4Confident87.2Confident90 Ų9048.4 Ų48.448%0.48126%0.26SS..EExtended strand (participates in β ladder)trans-65.2137.1174.7-161.5-35.9000110.9L212 G216 R220L212-D218 VanDerWaalsContact O-OD1 3.09Å; G216-D218 PolarHBondContact O-N 3.3Å; D218-R220 VanDerWaalsContact OD1-CB 3.28Å; D218-R220 WeakPolarHBondContact OD1-CB 3.48Å; D218-R220 WeakPolarHBondContact OD1-CD 3.49Å; D218-R220 WeakPolarHBondContact OD1-CG 3.34Å; D218-R220 PolarHBondContact OD1-N 2.77Å; D218-R220 IonicContact OD1-NE 3.94Å; D218-R220 WeakPolarHBondContact OD2-CD 3.49Å; D218-R220 IonicContact OD2-CZ 2.68Å; D218-R220 IonicContact OD2-NE 3.7Å; D218-R220 PolarHBondContact OD2-NE 3.17Å; D218-R220 VanDerWaalsContact OD2-NE 3.14Å
219L88.9Confident87.5Confident8 Ų854.2 Ų54.24%0.04229%0.285CS..  trans-119.43.3178-66.7-169.8000114.1I188 I211 L212 V214 E221 A222 A227 A230I188-L219 HydrophobicContact CG1-CB 4.31Å; I211-L219 HydrophobicContact CG2-CD1 4.2Å; L212-L219 PolarHBondContact O-N 3.47Å; V214-L219 HydrophobicContact CB-CD1 4.4Å; V214-L219 HydrophobicContact CG2-CD1 3.42Å; V214-L219 VanDerWaalsContact CG2-CD1 3.42Å; V214-L219 HydrophobicContact CG2-CG 4.19Å; L219-E221 PolarHBondContact O-N 3.44Å; L219-A222 HydrophobicContact CB-CB 4.13Å; L219-A222 HydrophobicContact CD2-CB 3.71Å; L219-A222 WeakPolarHBondContact O-CB 3.24Å; L219-A222 PolarHBondContact O-N 2.84Å; L219-A222 VanDerWaalsContact O-N 3.09Å; L219-A227 HydrophobicContact CD1-CB 3.9Å; L219-A230 HydrophobicContact CD1-CB 4.45Å; L219-A230 HydrophobicContact CD2-CB 4.09Å
220R84.4Confident87.4Confident145 Ų14555 Ų5555%0.54729%0.292SS..THydrogen-bonded Turntrans-53.9-40.5-179-67164.1-155.1-1492.7112.7L212 D218L212-R220 HydrophobicContact CD2-CG 4.21Å; D218-R220 VanDerWaalsContact OD1-CB 3.28Å; D218-R220 WeakPolarHBondContact OD1-CB 3.48Å; D218-R220 WeakPolarHBondContact OD1-CD 3.49Å; D218-R220 WeakPolarHBondContact OD1-CG 3.34Å; D218-R220 PolarHBondContact OD1-N 2.77Å; D218-R220 IonicContact OD1-NE 3.94Å; D218-R220 WeakPolarHBondContact OD2-CD 3.49Å; D218-R220 IonicContact OD2-CZ 2.68Å; D218-R220 IonicContact OD2-NE 3.7Å; D218-R220 PolarHBondContact OD2-NE 3.17Å; D218-R220 VanDerWaalsContact OD2-NE 3.14Å
221E80.4Confident87.4Confident125 Ų12555.8 Ų55.858%0.58430%0.296SS*.THydrogen-bonded Turntrans-105.810-179.3-66.3-59.814700113.3R182 L219R182-E221 WeakPolarHBondContact CD-O 3.48Å; R182-E221 WeakPolarHBondContact CD-OE2 3.39Å; R182-E221 IonicContact CZ-OE2 3.13Å; R182-E221 IonicContact NE-OE2 2.72Å; R182-E221 IonicContact NH1-OE2 3.93Å; R182-E221 PolarHBondContact NH1-OE2 2.88Å; L219-E221 PolarHBondContact O-N 3.44Å
222A83.6Confident87Confident6 Ų663.3 Ų63.35%0.0533%0.328CS..  trans-76.4150.7-178.600000112.2R182 L219 M226R182-A222 PolarHBondContact N-O 3.21Å; L219-A222 HydrophobicContact CB-CB 4.13Å; L219-A222 HydrophobicContact CD2-CB 3.71Å; L219-A222 WeakPolarHBondContact O-CB 3.24Å; L219-A222 PolarHBondContact O-N 2.84Å; L219-A222 VanDerWaalsContact O-N 3.09Å; A222-M226 HydrophobicContact CB-CB 4.13Å
223T87.9Confident86.7Confident48 Ų4871.1 Ų71.129%0.29436%0.361SS..  trans-74.6163.1167.164.60000111.4E183 D225 M226 A227E183-T223 WeakPolarHBondContact OE2-CA 3.49Å; E183-T223 WeakPolarHBondContact OE2-CB 3.09Å; T223-D225 VanDerWaalsContact C-N 3.3Å; T223-D225 PolarHBondContact O-N 3.37Å; T223-M226 HydrophobicContact CG2-SD 4.38Å; T223-M226 PolarHBondContact O-N 2.63Å; T223-M226 VanDerWaalsContact OG1-CG 3.29Å; T223-M226 WeakPolarHBondContact OG1-CG 3.4Å; T223-M226 PolarHBondContact OG1-N 3.36Å; T223-A227 PolarHBondContact O-N 2.89Å
224H86.6Confident86.1Confident58 Ų5871.3 Ų71.327%0.26936%0.364SS..Hα-helixtrans-50.7-49.6175.9-171.375.7000112.5G180 E183 M226 A227 V228G180-H224 WeakPolarHBondContact O-CB 3.48Å; G180-H224 PolarHBondContact O-ND1 3.42Å; E183-H224 PolarHBondContact OE2-N 3.24Å; H224-M226 PolarHBondContact O-N 2.78Å; H224-A227 WeakPolarHBondContact O-CB 3.38Å; H224-A227 PolarHBondContact O-N 3.05Å; H224-V228 WeakPolarHBondContact O-CG2 3.43Å; H224-V228 PolarHBondContact O-N 3.44Å
225D87.1Confident85.4Confident106 Ų10673.3 Ų73.357%0.56739%0.385SS*.Hα-helixtrans-67.4-36.5-178.1-66.5-49.3000112.9T223 A227 V228 Q229T223-D225 VanDerWaalsContact C-N 3.3Å; T223-D225 PolarHBondContact O-N 3.37Å; D225-A227 VanDerWaalsContact C-N 3.32Å; D225-A227 PolarHBondContact O-N 2.8Å; D225-V228 PolarHBondContact O-N 3.05Å; D225-Q229 WeakPolarHBondContact O-CB 3.34Å; D225-Q229 VanDerWaalsContact O-CG 3.25Å; D225-Q229 WeakPolarHBondContact O-CG 3.44Å; D225-Q229 PolarHBondContact O-N 2.89Å
226M85.6Confident85Confident108 Ų10875.6 Ų75.653%0.53239%0.391SS..Hα-helixtrans-62.3-40.4173.8-73.4173.368.500111.5A222 T223 H224 Q229 A230A222-M226 HydrophobicContact CB-CB 4.13Å; T223-M226 HydrophobicContact CG2-SD 4.38Å; T223-M226 PolarHBondContact O-N 2.63Å; T223-M226 VanDerWaalsContact OG1-CG 3.29Å; T223-M226 WeakPolarHBondContact OG1-CG 3.4Å; T223-M226 PolarHBondContact OG1-N 3.36Å; H224-M226 PolarHBondContact O-N 2.78Å; M226-Q229 PolarHBondContact O-N 2.91Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 3.47Å
227A87.9Confident85.2Confident0 Ų076.8 Ų76.80%038%0.38CS..Hα-helixtrans-67.2-42.3175.600000112.6I178 I188 L219 T223 H224 D225 Q229 A230 L231I178-A227 HydrophobicContact CD1-CB 3.8Å; I188-A227 HydrophobicContact CB-CB 4.44Å; I188-A227 HydrophobicContact CD1-CB 3.45Å; I188-A227 VanDerWaalsContact CD1-CB 3.45Å; I188-A227 HydrophobicContact CG1-CB 3.66Å; I188-A227 HydrophobicContact CG2-CB 3.93Å; L219-A227 HydrophobicContact CD1-CB 3.9Å; T223-A227 PolarHBondContact O-N 2.89Å; H224-A227 WeakPolarHBondContact O-CB 3.38Å; H224-A227 PolarHBondContact O-N 3.05Å; D225-A227 VanDerWaalsContact C-N 3.32Å; D225-A227 PolarHBondContact O-N 2.8Å; A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.26Å; A227-A230 PolarHBondContact O-N 2.85Å; A227-L231 WeakPolarHBondContact O-CG 3.4Å; A227-L231 PolarHBondContact O-N 2.83Å
228V88.1Confident85.2Confident35 Ų3571.7 Ų71.721%0.21235%0.353CS..Hα-helixtrans-60.6-43173172.20000110.9I178 H224 D225 K232I178-V228 HydrophobicContact CD1-CG2 3.87Å; I178-V228 HydrophobicContact CG1-CG2 4.26Å; H224-V228 WeakPolarHBondContact O-CG2 3.43Å; H224-V228 PolarHBondContact O-N 3.44Å; D225-V228 PolarHBondContact O-N 3.05Å; V228-K232 HydrophobicContact CG1-CD 3.97Å; V228-K232 WeakPolarHBondContact O-CB 3.48Å; V228-K232 VanDerWaalsContact O-CG 3.3Å; V228-K232 WeakPolarHBondContact O-CG 3.25Å; V228-K232 PolarHBondContact O-N 3.47Å
229Q86.8Confident85.3Confident129 Ų12969 Ų6960%0.60334%0.34SS*.Hα-helixtrans-64.5-42.8176.3-73.8177.824.400112D225 M226 A227 K232 K233D225-Q229 WeakPolarHBondContact O-CB 3.34Å; D225-Q229 VanDerWaalsContact O-CG 3.25Å; D225-Q229 WeakPolarHBondContact O-CG 3.44Å; D225-Q229 PolarHBondContact O-N 2.89Å; M226-Q229 PolarHBondContact O-N 2.91Å; A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.26Å; Q229-K232 PolarHBondContact O-N 3.45Å; Q229-K233 WeakPolarHBondContact O-CB 3.34Å; Q229-K233 PolarHBondContact O-N 2.79Å
230A87.1Confident85.5Confident17 Ų1768.7 Ų68.714%0.1434%0.338CS..Hα-helixtrans-60.7-46.8176.900000112.2V214 L219 M226 A227 K232 K233 A234V214-A230 HydrophobicContact CB-CB 4.45Å; L219-A230 HydrophobicContact CD1-CB 4.45Å; L219-A230 HydrophobicContact CD2-CB 4.09Å; M226-A230 WeakPolarHBondContact O-CB 3.43Å; M226-A230 PolarHBondContact O-N 3.47Å; A227-A230 PolarHBondContact O-N 2.85Å; A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 3.28Å; A230-K233 PolarHBondContact O-N 2.94Å; A230-A234 PolarHBondContact O-N 3.35Å
231L87.1Confident85.8Confident16 Ų1664 Ų648%0.08432%0.322CS..Hα-helixtrans-67.6-32178.5-67.6168.6000113K168 L174 I176 I178 I211 V214 A227 L240K168-L231 PolarHBondContact NZ-O 2.73Å; L174-L231 HydrophobicContact CD2-CD2 3.93Å; I176-L231 HydrophobicContact CD1-CD1 4.3Å; I178-L231 HydrophobicContact CD1-CD1 3.91Å; I178-L231 HydrophobicContact CG1-CD1 4.45Å; I178-L231 HydrophobicContact CG2-CD1 4.01Å; I211-L231 HydrophobicContact CD1-CD1 4.21Å; I211-L231 HydrophobicContact CD1-CD2 4.45Å; V214-L231 HydrophobicContact CG1-CD2 4.11Å; V214-L231 HydrophobicContact CG2-CD2 3.69Å; V214-L231 HydrophobicContact CG2-CG 4.26Å; A227-L231 WeakPolarHBondContact O-CG 3.4Å; A227-L231 PolarHBondContact O-N 2.83Å; L231-L240 HydrophobicContact CD2-CD2 3.77Å
232K84.9Confident86.3Confident159 Ų15958.1 Ų58.169%0.69130%0.295SS*.Hα-helixtrans-71.1-46.4171.9-76.4176.3178.9176.80112V228 Q229 A230V228-K232 HydrophobicContact CG1-CD 3.97Å; V228-K232 WeakPolarHBondContact O-CB 3.48Å; V228-K232 VanDerWaalsContact O-CG 3.3Å; V228-K232 WeakPolarHBondContact O-CG 3.25Å; V228-K232 PolarHBondContact O-N 3.47Å; Q229-K232 PolarHBondContact O-N 3.45Å; A230-K232 VanDerWaalsContact C-N 3.34Å; A230-K232 PolarHBondContact O-N 3.28Å
233K83.4Confident86.5Confident190 Ų19060.9 Ų60.983%0.82631%0.306SS*.Hα-helixtrans-71.1-26.1-177.9-174175.4179.1-179.70113.5Q229 A230 G235Q229-K233 WeakPolarHBondContact O-CB 3.34Å; Q229-K233 PolarHBondContact O-N 2.79Å; A230-K233 PolarHBondContact O-N 2.94Å; K233-G235 PolarHBondContact O-N 2.82Å
234A77.8Confident86.3Confident10 Ų1061.7 Ų61.78%0.08330%0.304CS..SBendtrans-55.9135.7170.100000110.5K168 V214 A230 V238K168-A234 PolarHBondContact NZ-O 2.87Å; V214-A234 HydrophobicContact CG1-CB 4.12Å; A230-A234 PolarHBondContact O-N 3.35Å; A234-V238 HydrophobicContact CB-CB 4.39Å; A234-V238 HydrophobicContact CB-CG1 3.91Å; A234-V238 HydrophobicContact CB-CG2 3.83Å
235G78.1Confident85.8Confident44 Ų4461.3 Ų61.345%0.45430%0.303SS..  trans-76.3-150.3-170.100000114.7K168 K233 E237K168-G235 VanDerWaalsContact CD-O 3.29Å; K168-G235 WeakPolarHBondContact CD-O 3.19Å; K168-G235 VanDerWaalsContact CE-O 3.31Å; K168-G235 WeakPolarHBondContact CE-O 3.46Å; K233-G235 PolarHBondContact O-N 2.82Å; G235-E237 PolarHBondContact O-N 2.72Å
236K81.4Confident84.4Confident126 Ų12664.5 Ų64.555%0.54831%0.307SS..SBendtrans-59.7-27.7174.3-169.4171.6-174173.90112.1V167 K168 E170V167-K236 CarbonylContact C-O 3.55Å; V167-K236 WeakPolarHBondContact CA-O 3.21Å; V167-K236 HydrophobicContact CG1-CG 4.18Å; V167-K236 WeakPolarHBondContact CG1-O 3.29Å; K168-K236 PolarHBondContact N-O 3.01Å; E170-K236 IonicContact OE1-NZ 2.66Å; E170-K236 PolarHBondContact OE1-NZ 3.13Å
237E85.3Confident82.9Confident85 Ų8567.4 Ų67.440%0.39732%0.32SS..EExtended strand (participates in β ladder)trans-114.4135.5174-172.7169-153.400111.1R165 N215 G235R165-E237 WeakPolarHBondContact CD-OE1 3.47Å; R165-E237 HydrophobicContact CG-CG 4.1Å; R165-E237 WeakPolarHBondContact CG-OE1 3.5Å; R165-E237 IonicContact CZ-OE1 3.16Å; R165-E237 VanDerWaalsContact CZ-OE1 3.24Å; R165-E237 IonicContact NE-OE1 2.73Å; R165-E237 PolarHBondContact NE-OE1 3.29Å; R165-E237 IonicContact NH1-OE1 3.69Å; R165-E237 PolarHBondContact NH1-OE1 2.97Å; N215-E237 PolarHBondContact ND2-O 3.15Å; G235-E237 PolarHBondContact O-N 2.72Å
238V89.3Confident81Confident0 Ų068 Ų680%032%0.323CS..EExtended strand (participates in β ladder)trans-128.3119.5179.3-165.80000109.4R165 V166 K168 L174 V214 N215 A234 L240R165-V238 CarbonylContact C-O 3.59Å; R165-V238 WeakPolarHBondContact CA-O 3.45Å; V166-V238 PolarHBondContact N-O 3.07Å; V166-V238 PolarHBondContact O-N 3.28Å; K168-V238 HydrophobicContact CD-CG2 4.39Å; K168-V238 VanDerWaalsContact CE-CG2 3.42Å; K168-V238 HydrophobicContact CG-CG2 4.22Å; L174-V238 HydrophobicContact CD1-CG2 4.45Å; V214-V238 HydrophobicContact CG1-CG1 4Å; N215-V238 WeakPolarHBondContact OD1-CA 3.5Å; A234-V238 HydrophobicContact CB-CB 4.39Å; A234-V238 HydrophobicContact CB-CG1 3.91Å; A234-V238 HydrophobicContact CB-CG2 3.83Å; V238-L240 HydrophobicContact CG1-CD2 3.67Å; V238-L240 HydrophobicContact CG1-CG 4Å
239T89.9Confident78.9Confident35 Ų3569.6 Ų69.622%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-100.3122.9168.6-58.50000108.7K163 V164 N215K163-T239 HydrophobicContact CD-CG2 4.25Å; K163-T239 HydrophobicContact CG-CG2 3.77Å; V164-T239 CarbonylContact O-C 3.58Å; V164-T239 WeakPolarHBondContact O-CA 3.33Å; N215-T239 PolarHBondContact N-O 3.07Å; N215-T239 PolarHBondContact OD1-N 3.31Å; N215-T239 PolarHBondContact OD1-O 2.68Å
240L92Very high76.8Confident0 Ų067 Ų670%033%0.331CS..EExtended strand (participates in β ladder)trans-115.1135.7-179.6-58172.5000108.7K163 V164 L174 L205 I211 S213 V214 L231 V238 V242K163-L240 CarbonylContact C-O 3.55Å; K163-L240 WeakPolarHBondContact CA-O 3.29Å; V164-L240 PolarHBondContact N-O 2.91Å; V164-L240 PolarHBondContact O-N 2.78Å; L174-L240 HydrophobicContact CD2-CD1 4.48Å; L205-L240 HydrophobicContact CD1-CD1 3.72Å; L205-L240 HydrophobicContact CD2-CD1 3.88Å; L205-L240 HydrophobicContact CG-CD1 4.41Å; I211-L240 HydrophobicContact CG2-CD2 4.3Å; S213-L240 WeakPolarHBondContact O-CA 3.34Å; V214-L240 HydrophobicContact CB-CD2 4.28Å; V214-L240 HydrophobicContact CG1-CD2 4.11Å; V214-L240 HydrophobicContact CG2-CD2 3.71Å; L231-L240 HydrophobicContact CD2-CD2 3.77Å; V238-L240 HydrophobicContact CG1-CD2 3.67Å; V238-L240 HydrophobicContact CG1-CG 4Å; L240-V242 HydrophobicContact CB-CG1 4.11Å
241E91.1Very high74.7Confident48 Ų4870.9 Ų70.922%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-102.9119.4165.1-68.7168.116600107.9V161 K163 L212 S213V161-E241 HydrophobicContact CG1-CB 4.16Å; K163-E241 HydrophobicContact CB-CG 4.32Å; K163-E241 HydrophobicContact CD-CG 4.02Å; K163-E241 WeakPolarHBondContact CD-OE1 3.27Å; K163-E241 VanDerWaalsContact CE-OE1 3.22Å; K163-E241 WeakPolarHBondContact CE-OE1 3.42Å; K163-E241 HydrophobicContact CG-CG 3.9Å; K163-E241 IonicContact NZ-OE1 2.77Å; K163-E241 PolarHBondContact NZ-OE1 2.79Å; L212-E241 WeakPolarHBondContact CB-O 3.23Å; L212-E241 PolarHBondContact N-O 2.9Å; S213-E241 PolarHBondContact N-O 3.48Å; S213-E241 PolarHBondContact O-N 3.16Å; S213-E241 VanDerWaalsContact O-N 3.08Å; S213-E241 WeakPolarHBondContact OG-CB 3.23Å; S213-E241 WeakPolarHBondContact OG-CG 3.34Å; S213-E241 PolarHBondContact OG-OE2 3.47Å
242V91.3Very high72.7Confident0 Ų073.1 Ų73.10%036%0.357CS..EExtended strand (participates in β ladder)trans-126.2145.3-173-59.60000112.3R162 V164 L205 D209 A210 I211 L240R162-V242 HydrophobicContact CB-CG2 4.15Å; R162-V242 PolarHBondContact N-O 3.19Å; R162-V242 PolarHBondContact O-N 2.89Å; V164-V242 HydrophobicContact CG2-CG2 4Å; L205-V242 HydrophobicContact CD2-CG1 4Å; L205-V242 HydrophobicContact CD2-CG2 4.34Å; D209-V242 HydrophobicContact CB-CB 4.09Å; D209-V242 HydrophobicContact CB-CG1 4.48Å; D209-V242 HydrophobicContact CB-CG2 4.44Å; A210-V242 CarbonylContact O-C 3.58Å; A210-V242 WeakPolarHBondContact O-CA 3.43Å; I211-V242 HydrophobicContact CG1-CG1 4.31Å; L240-V242 HydrophobicContact CB-CG1 4.11Å
243K88.7Confident70.5Confident64 Ų6471.1 Ų71.128%0.27835%0.349SS..EExtended strand (participates in β ladder)trans-121.7129.1169.6-175.4172.3-177.7173.20109.1S158 E159 V161 A210 L212 I245S158-K243 WeakPolarHBondContact OG-CE 3.39Å; S158-K243 PolarHBondContact OG-NZ 3.34Å; E159-K243 VanDerWaalsContact O-CE 3.22Å; E159-K243 WeakPolarHBondContact O-CE 3.27Å; V161-K243 HydrophobicContact CG2-CB 4.49Å; A210-K243 PolarHBondContact N-O 3.45Å; A210-K243 PolarHBondContact O-N 3.42Å; L212-K243 HydrophobicContact CD1-CB 4.07Å; K243-I245 PolarHBondContact O-N 2.99Å
244Y83.1Confident68.3Low65 Ų6569.5 Ų69.526%0.25534%0.342SS..EExtended strand (participates in β ladder)trans-76.7123.4176.3-174.2-120.3000109.3E159 R206 D209 R246E159-Y244 WeakPolarHBondContact OE2-CD1 3.47Å; R206-Y244 HydrophobicContact CB-CD2 4.43Å; R206-Y244 HydrophobicContact CB-CE2 4.48Å; D209-Y244 VanDerWaalsContact OD1-CA 3.28Å; D209-Y244 WeakPolarHBondContact OD1-CA 3.41Å; D209-Y244 WeakPolarHBondContact OD1-CB 3.35Å; D209-Y244 PolarHBondContact OD1-N 2.85Å; Y244-R246 HydrophobicContact CD1-CG 3.98Å; Y244-R246 HydrophobicContact CE1-CG 3.68Å
245I76.3Confident66.4Low51 Ų5173.4 Ų73.426%0.26237%0.366SS..  trans-113.993.1-178.3-45.3-174.5000109.6P187 G208 A210 K243 E247 V248P187-I245 HydrophobicContact CG-CD1 4.43Å; G208-I245 PolarHBondContact O-N 2.96Å; A210-I245 HydrophobicContact CB-CD1 3.54Å; A210-I245 HydrophobicContact CB-CG1 3.99Å; K243-I245 PolarHBondContact O-N 2.99Å; I245-E247 HydrophobicContact CG2-CB 4.48Å; I245-E247 PolarHBondContact O-N 2.73Å; I245-E247 VanDerWaalsContact O-N 3.15Å; I245-V248 HydrophobicContact CB-CB 4.37Å; I245-V248 HydrophobicContact CB-CG2 3.75Å; I245-V248 HydrophobicContact CD1-CG2 4.49Å; I245-V248 HydrophobicContact CG2-CB 4.48Å; I245-V248 HydrophobicContact CG2-CG2 3.6Å; I245-V248 WeakPolarHBondContact O-CB 3.37Å; I245-V248 PolarHBondContact O-N 2.86Å
246R56.8Low64.9Low172 Ų17272.1 Ų72.165%0.64935%0.35SS*.G310 helixtrans-50.6-40179.9-67.5-177.3-179.8-148.41112.7E159 Y244 V248 S249E159-R246 IonicContact OE1-CZ 3.29Å; E159-R246 IonicContact OE1-NE 3.78Å; E159-R246 PolarHBondContact OE1-NE 2.78Å; E159-R246 IonicContact OE1-NH2 2.76Å; E159-R246 PolarHBondContact OE1-NH2 3.47Å; Y244-R246 HydrophobicContact CD1-CG 3.98Å; Y244-R246 HydrophobicContact CE1-CG 3.68Å; R246-V248 PolarHBondContact O-N 3.03Å; R246-S249 WeakPolarHBondContact O-CB 3.37Å; R246-S249 PolarHBondContact O-N 3.37Å; R246-S249 PolarHBondContact O-OG 2.78Å
247E54.3Low63.5Low169 Ų16968.8 Ų68.879%0.7934%0.338SS*.G310 helixtrans-71.7-7.1-176.4-60.9-177.2162.400114.6I245 S249 P250I245-E247 HydrophobicContact CG2-CB 4.48Å; I245-E247 PolarHBondContact O-N 2.73Å; I245-E247 VanDerWaalsContact O-N 3.15Å; E247-S249 VanDerWaalsContact C-N 3.3Å; E247-P250 WeakPolarHBondContact O-CD 3.19Å
248V48.6Very low62Low12 Ų1264.7 Ų64.77%0.07332%0.319CS..G310 helixtrans-83.9-6.3176.5172.70000112.4L189 I245 R246 P250 L251 F252L189-V248 HydrophobicContact CD1-CG1 3.58Å; L189-V248 HydrophobicContact CD1-CG2 4.39Å; L189-V248 HydrophobicContact CD2-CB 4.45Å; L189-V248 HydrophobicContact CD2-CG1 3.87Å; L189-V248 HydrophobicContact CD2-CG2 4.29Å; L189-V248 HydrophobicContact CG-CG1 4.32Å; I245-V248 HydrophobicContact CB-CB 4.37Å; I245-V248 HydrophobicContact CB-CG2 3.75Å; I245-V248 HydrophobicContact CD1-CG2 4.49Å; I245-V248 HydrophobicContact CG2-CB 4.48Å; I245-V248 HydrophobicContact CG2-CG2 3.6Å; I245-V248 WeakPolarHBondContact O-CB 3.37Å; I245-V248 PolarHBondContact O-N 2.86Å; R246-V248 PolarHBondContact O-N 3.03Å; V248-P250 WeakPolarHBondContact O-CD 3.42Å; V248-L251 HydrophobicContact CG1-CB 4.17Å; V248-L251 HydrophobicContact CG1-CD1 4.13Å; V248-L251 HydrophobicContact CG2-CD1 4.32Å; V248-L251 PolarHBondContact O-N 2.93Å; V248-F252 HydrophobicContact CG1-CD2 4.38Å; V248-F252 HydrophobicContact CG1-CE2 3.73Å; V248-F252 HydrophobicContact CG1-CZ 4.11Å
249S42.9Very low60.1Low69 Ų6966.9 Ų66.948%0.48334%0.337SS..THydrogen-bonded Turntrans-52-19.8172.4-57.30000117.1R246 E247 K253R246-S249 WeakPolarHBondContact O-CB 3.37Å; R246-S249 PolarHBondContact O-N 3.37Å; R246-S249 PolarHBondContact O-OG 2.78Å; E247-S249 VanDerWaalsContact C-N 3.3Å; S249-K253 VanDerWaalsContact O-CE 3.24Å; S249-K253 WeakPolarHBondContact O-CE 3.47Å; S249-K253 PolarHBondContact O-NZ 3.25Å
250P43.4Very low58.2Low76 Ų7668.4 Ų68.449%0.49434%0.344SS..THydrogen-bonded Turntrans-74.8-39.5166.2-18.834.5000113.8E247 V248 F252 K253E247-P250 WeakPolarHBondContact O-CD 3.19Å; V248-P250 WeakPolarHBondContact O-CD 3.42Å; P250-F252 VanDerWaalsContact C-N 3.25Å; P250-F252 PolarHBondContact O-N 2.64Å; P250-F252 VanDerWaalsContact O-N 3.17Å; P250-K253 WeakPolarHBondContact O-CB 3.47Å; P250-K253 PolarHBondContact O-N 3.38Å; P250-K253 VanDerWaalsContact O-N 3.11Å
251L43.5Very low56.5Low97 Ų9769.3 Ų69.351%0.50835%0.349SS..THydrogen-bonded Turntrans-72.5-10-167-69.9164.8000114.8M186 V248M186-L251 HydrophobicContact SD-CD1 4.2Å; M186-L251 HydrophobicContact SD-CD2 4.03Å; V248-L251 HydrophobicContact CG1-CB 4.17Å; V248-L251 HydrophobicContact CG1-CD1 4.13Å; V248-L251 HydrophobicContact CG2-CD1 4.32Å; V248-L251 PolarHBondContact O-N 2.93Å
252F44.8Very low54.7Low63 Ų6374.3 Ų74.328%0.27637%0.372SS..THydrogen-bonded Turntrans-89-3.8172.5-64.5-61.2000114.3K179 L189 S191 V248 P250K179-F252 HydrophobicContact CD-CD1 4.41Å; K179-F252 HydrophobicContact CD-CE1 4.42Å; L189-F252 HydrophobicContact CB-CZ 4.2Å; S191-F252 VanDerWaalsContact CB-CE1 3.46Å; V248-F252 HydrophobicContact CG1-CD2 4.38Å; V248-F252 HydrophobicContact CG1-CE2 3.73Å; V248-F252 HydrophobicContact CG1-CZ 4.11Å; P250-F252 VanDerWaalsContact C-N 3.25Å; P250-F252 PolarHBondContact O-N 2.64Å; P250-F252 VanDerWaalsContact O-N 3.17Å
253K38.5Very low53.1Low117 Ų11775.7 Ų75.751%0.50938%0.377SS..SBendtrans-86.8149.1174.5-62155.9-170.1155.90109.1S249 P250S249-K253 VanDerWaalsContact O-CE 3.24Å; S249-K253 WeakPolarHBondContact O-CE 3.47Å; S249-K253 PolarHBondContact O-NZ 3.25Å; P250-K253 WeakPolarHBondContact O-CB 3.47Å; P250-K253 PolarHBondContact O-N 3.38Å; P250-K253 VanDerWaalsContact O-N 3.11Å
254K37.8Very low51.1Low157 Ų15779.1 Ų79.168%0.68340%0.399SS*.PPolyproline II helixtrans-56.3138.7159.2-73.1-169.9176.1-168.40107E40 S256E40-K254 IonicContact OE2-NZ 2.71Å; K254-S256 PolarHBondContact O-N 2.77Å
255P37.3Very low49.3Very low91 Ų9178.6 Ų78.659%0.59141%0.413SS*.PPolyproline II helixtrans-60.7128.7171.426.8-33.2000108.1L257P255-L257 PolarHBondContact O-N 3.23Å
256S47.2Very low47.5Very low18 Ų1880.1 Ų80.113%0.12643%0.425CS..PPolyproline II helixtrans-72116.4176.2177.80000108.8K254 V258 A259 D260 K292 D293K254-S256 PolarHBondContact O-N 2.77Å; S256-V258 PolarHBondContact O-N 3.04Å; S256-A259 WeakPolarHBondContact OG-CB 3.37Å; S256-A259 PolarHBondContact OG-N 3.28Å; S256-D260 PolarHBondContact O-N 3.02Å; S256-K292 WeakPolarHBondContact CB-O 3.47Å; S256-K292 PolarHBondContact OG-O 3.44Å; S256-D293 WeakPolarHBondContact CA-OD1 3.48Å; S256-D293 WeakPolarHBondContact CB-OD1 3.44Å; S256-D293 PolarHBondContact OG-OD1 2.69Å
257L52.3Low46.4Very low55 Ų5583.3 Ų83.329%0.28844%0.437SS..THydrogen-bonded Turntrans-66.5-24-175.4-60.7170.5000111.8L17 I22 P255L17-L257 VanDerWaalsContact CD1-O 3.29Å; L17-L257 WeakPolarHBondContact CD1-O 3.43Å; L17-L257 HydrophobicContact CD2-CB 4.4Å; L17-L257 WeakPolarHBondContact CD2-O 3.47Å; I22-L257 HydrophobicContact CD1-CB 3.96Å; I22-L257 HydrophobicContact CD1-CD1 4.19Å; I22-L257 HydrophobicContact CD1-CD2 4.19Å; I22-L257 HydrophobicContact CD1-CG 4.33Å; I22-L257 HydrophobicContact CG2-CD1 4.15Å; P255-L257 PolarHBondContact O-N 3.23Å
258V52.6Low45.6Very low0 Ų079.9 Ų79.90%043%0.429CS..THydrogen-bonded Turntrans-112.6-21.5-172-178.90000112.3L15 V24 L35 A37 S256 D260 L261 K295L15-V258 HydrophobicContact CD2-CG2 4.05Å; V24-V258 HydrophobicContact CG1-CG2 3.88Å; L35-V258 HydrophobicContact CB-CG1 4.13Å; A37-V258 HydrophobicContact CB-CB 4.31Å; A37-V258 HydrophobicContact CB-CG2 3.55Å; S256-V258 PolarHBondContact O-N 3.04Å; V258-D260 VanDerWaalsContact C-N 3.35Å; V258-L261 HydrophobicContact CG1-CD1 4.12Å; V258-L261 WeakPolarHBondContact O-CB 3.46Å; V258-L261 WeakPolarHBondContact O-CG 3.31Å; V258-L261 PolarHBondContact O-N 3.26Å; V258-K295 HydrophobicContact CG1-CB 3.65Å
259A50Low44.9Very low46 Ų4688.8 Ų88.838%0.3847%0.47SS..THydrogen-bonded Turntrans-72.4-27.2168.800000113.2S256 L261S256-A259 WeakPolarHBondContact OG-CB 3.37Å; S256-A259 PolarHBondContact OG-N 3.28Å; A259-L261 PolarHBondContact O-N 2.85Å; A259-L261 VanDerWaalsContact O-N 3.12Å
260D50.3Low44.4Very low67 Ų6789.7 Ų89.736%0.35848%0.477SS..THydrogen-bonded Turntrans-65.7-6.3174.4-81.41.5000113.6R18 S256 V258 Q262R18-D260 IonicContact CZ-OD2 3.24Å; R18-D260 IonicContact NH1-OD2 2.81Å; R18-D260 PolarHBondContact NH1-OD2 2.78Å; R18-D260 IonicContact NH2-OD2 2.74Å; R18-D260 PolarHBondContact NH2-OD2 3.37Å; S256-D260 PolarHBondContact O-N 3.02Å; V258-D260 VanDerWaalsContact C-N 3.35Å; D260-Q262 PolarHBondContact O-N 3.25Å
261L55.5Low43.9Very low18 Ų1891.8 Ų91.89%0.09449%0.49CS..SBendtrans-65117.5167.2-69.9177.5000110L15 L17 L35 V258 A259 W263 K295 V329L15-L261 HydrophobicContact CD2-CD1 4Å; L15-L261 HydrophobicContact CD2-CD2 4.4Å; L15-L261 HydrophobicContact CD2-CG 4.45Å; L17-L261 HydrophobicContact CD1-CD2 3.71Å; L17-L261 HydrophobicContact CD1-CG 4.22Å; L35-L261 HydrophobicContact CD1-CD1 4.48Å; V258-L261 HydrophobicContact CG1-CD1 4.12Å; V258-L261 WeakPolarHBondContact O-CB 3.46Å; V258-L261 WeakPolarHBondContact O-CG 3.31Å; V258-L261 PolarHBondContact O-N 3.26Å; A259-L261 PolarHBondContact O-N 2.85Å; A259-L261 VanDerWaalsContact O-N 3.12Å; L261-W263 PolarHBondContact O-N 2.93Å; L261-K295 HydrophobicContact CB-CD 4.3Å; L261-K295 HydrophobicContact CB-CG 4.38Å; L261-K295 HydrophobicContact CD1-CB 4.35Å; L261-K295 HydrophobicContact CD1-CG 4.2Å; L261-K295 WeakPolarHBondContact O-CE 3.22Å; L261-K295 PolarHBondContact O-NZ 3.07Å; L261-V329 HydrophobicContact CD1-CG2 4.43Å; L261-V329 HydrophobicContact CD2-CG2 4.4Å
262Q54.2Low43.3Very low153 Ų15392.5 Ų92.572%0.71550%0.503SS*.  trans-73.116-172-64.3-178.1100115.6D260 D264 H327D260-Q262 PolarHBondContact O-N 3.25Å; Q262-D264 PolarHBondContact O-N 3.38Å; Q262-H327 PolarHBondContact O-NE2 3.21Å
263W57.5Low42.7Very low29 Ų29100.8 Ų100.811%0.1153%0.534CS..  trans-60.9-8.7179.8-150.8-82.9000115.4L261 G265 I297 L320 S322 H327 V329L261-W263 PolarHBondContact O-N 2.93Å; W263-G265 PolarHBondContact O-N 3.14Å; W263-G265 VanDerWaalsContact O-N 3.07Å; W263-I297 HydrophobicContact CD2-CD1 4.45Å; W263-I297 HydrophobicContact CD2-CG1 3.89Å; W263-I297 HydrophobicContact CD2-CG2 4.3Å; W263-I297 VanDerWaalsContact CE2-CG2 3.48Å; W263-I297 HydrophobicContact CE3-CD1 4.46Å; W263-I297 HydrophobicContact CE3-CG1 4.38Å; W263-I297 HydrophobicContact CG-CG1 4.04Å; W263-I297 HydrophobicContact CH2-CG2 4.06Å; W263-I297 HydrophobicContact CZ2-CB 4.43Å; W263-I297 HydrophobicContact CZ2-CG1 4.45Å; W263-I297 HydrophobicContact CZ2-CG2 3.34Å; W263-L320 HydrophobicContact CH2-CG 4.15Å; W263-S322 VanDerWaalsContact CH2-N 3.33Å; W263-H327 HydrophobicContact CE3-CB 3.97Å; W263-H327 HydrophobicContact CZ3-CB 4.3Å; W263-H327 WeakPolarHBondContact CZ3-O 3.39Å; W263-V329 HydrophobicContact CE3-CG2 3.72Å; W263-V329 HydrophobicContact CZ3-CB 4.27Å; W263-V329 HydrophobicContact CZ3-CG2 3.65Å
264D45.7Very low42.3Very low136 Ų136100 Ų10073%0.72754%0.543SS*.THydrogen-bonded Turntrans-84.339.8178.6-68-28.6000112.4Q262 K295Q262-D264 PolarHBondContact O-N 3.38Å; D264-K295 IonicContact OD1-NZ 2.65Å; D264-K295 PolarHBondContact OD1-NZ 2.8Å; D264-K295 IonicContact OD2-NZ 3.59Å; D264-K295 PolarHBondContact OD2-NZ 3.34Å
265G45.8Very low41.9Very low55 Ų5596.6 Ų96.657%0.56755%0.553SS**THydrogen-bonded Turntrans-83.5-26.8175.300000114.3W263W263-G265 PolarHBondContact O-N 3.14Å; W263-G265 VanDerWaalsContact O-N 3.07Å
266V37.6Very low41.5Very low83 Ų8397.5 Ų97.550%0.50356%0.561SS.*  trans-132.395.8-170.9-171.30000112.4P268V266-P268 HydrophobicContact CG1-CG 4.32Å
267R35.3Very low40.9Very low238 Ų238105 Ų10590%0.89860%0.6SS**  trans-87.2118.8142.1-74.1-171.4-177.2-173.32.5107.4Q269R267-Q269 PolarHBondContact O-N 2.74Å
268P37.8Very low39.8Very low97 Ų97109.4 Ų109.463%0.6362%0.624SS**  trans-59128.7166-20.132.6000109V266 S270V266-P268 HydrophobicContact CG1-CG 4.32Å; P268-S270 PolarHBondContact O-N 3.18Å
269Q33.5Very low38.8Very low199 Ų199114.2 Ų114.293%0.9366%0.658SS**  trans-74.383.5167.6-72.2-170.6-000108.8R267R267-Q269 PolarHBondContact O-N 2.74Å
270S32.3Very low38.1Very low89 Ų89115.7 Ų115.762%0.62268%0.677SS**  trans-60126.6165.6-59.90000108.9P268 S272P268-S270 PolarHBondContact O-N 3.18Å; S270-S272 PolarHBondContact O-N 2.81Å; S270-S272 VanDerWaalsContact O-N 3.09Å
271P31.8Very low37.2Very low120 Ų120116.8 Ų116.878%0.77969%0.69SS**  trans-68.2109.4175.926.6-32.8000109.9Y273P271-Y273 PolarHBondContact O-N 2.9Å
272S32.2Very low36.2Very low111 Ų111122.4 Ų122.478%0.77673%0.727SS**  trans-7488-173.4-57.50000112.9S270 S274S270-S272 PolarHBondContact O-N 2.81Å; S270-S272 VanDerWaalsContact O-N 3.09Å; S272-S274 PolarHBondContact O-N 3.44Å
273Y31.1Very low35Very low238 Ų238123.7 Ų123.793%0.93373%0.731SS**  trans-84.186.8167.3-107.9-82.9000111.2P271P271-Y273 PolarHBondContact O-N 2.9Å
274S30.6Very low34Very low100 Ų100130.8 Ų130.870%0.69977%0.765SS**  trans-152.584166.961.60000110.5S272S272-S274 PolarHBondContact O-N 3.44Å
275G29.3Very low33.1Very low85 Ų85129.3 Ų129.388%0.87677%0.765SS**  trans-85.9108.8174.900000111.5
276S30.1Very low32.6Very low110 Ų110132 Ų13277%0.76978%0.776SS**  trans-163.587.8163.560.30000109.8
277D33Very low32.2Very low176 Ų176132.6 Ų132.694%0.94178%0.783SS**  trans-77.3120.5169.3-76.9-50.1000110.3
278D29.3Very low32.2Very low147 Ų147124.5 Ų124.579%0.78676%0.763SS**  trans-154.7151152.8-162.3-10.2000110.5
279S32.3Very low32Very low102 Ų102125.1 Ų125.171%0.71377%0.769SS**  trans65.582.2157.2-70.50000116.7
280G35.4Very low32.2Very low77 Ų77120.9 Ų120.979%0.79476%0.762SS**  trans-69146.5178.500000115.5
281S30.8Very low33Very low89 Ų89118.8 Ų118.862%0.62275%0.747SS**  trans-163124.4161.3-81.40000109.5K283S281-K283 PolarHBondContact O-N 3.44Å
282P34.2Very low34Very low136 Ų136117.9 Ų117.988%0.88373%0.731SS**  trans-76.570.3179.932.1-35.5000111.4H284P282-H284 PolarHBondContact O-N 2.8Å; P282-H284 VanDerWaalsContact O-N 3.1Å
283K29.5Very low35.8Very low180 Ų180115.8 Ų115.878%0.78371%0.711SS**  trans-74.3100177.2-74.4-178.6178.8172.40110.3S281 S285S281-K283 PolarHBondContact O-N 3.44Å; K283-S285 PolarHBondContact O-N 3.41Å
284H35.7Very low38.3Very low179 Ų179110.9 Ų110.983%0.82969%0.691SS**  trans-53.9100.8165.5-109.3-93.2000110.3P282 S286P282-H284 PolarHBondContact O-N 2.8Å; P282-H284 VanDerWaalsContact O-N 3.1Å; H284-S286 PolarHBondContact O-N 2.81Å
285S27.2Very low40.9Very low105 Ų105106.5 Ų106.573%0.73466%0.659SS**  trans-78.863.7172.546.40000110.8K283 S287K283-S285 PolarHBondContact O-N 3.41Å; S285-S287 PolarHBondContact O-N 3.5Å; S285-S287 PolarHBondContact O-OG 2.94Å
286S34.9Very low43.7Very low112 Ų112105.6 Ų105.678%0.78364%0.637SS**  trans-73.660.917558.90000111.6H284H284-S286 PolarHBondContact O-N 2.81Å
287S30.7Very low46.6Very low95 Ų95100.4 Ų100.466%0.66460%0.6SS**  trans-121.669.3-170.7590000112.5S285S285-S287 PolarHBondContact O-N 3.5Å; S285-S287 PolarHBondContact O-OG 2.94Å
288S33.6Very low49.4Very low67 Ų6794.9 Ų94.947%0.46958%0.576SS.*  trans177.388.4136.547.20000112.1S290 S291S288-S290 PolarHBondContact O-N 2.87Å; S288-S291 WeakPolarHBondContact CB-OG 3.27Å; S288-S291 PolarHBondContact O-OG 2.96Å; S288-S291 WeakPolarHBondContact OG-CB 3.28Å; S288-S291 PolarHBondContact OG-OG 3.31Å
289S35.3Very low52.5Low110 Ų11087.9 Ų87.977%0.76954%0.538SS*.THydrogen-bonded Turntrans-68.5-16.716444.10000112.6K292S289-K292 PolarHBondContact O-NZ 3.17Å; S289-K292 VanDerWaalsContact O-NZ 3.07Å
290S37.1Very low55.2Low110 Ų11086.5 Ų86.577%0.76952%0.519SS*.THydrogen-bonded Turntrans-99.9-5.1-173.151.50000116.7S288S288-S290 PolarHBondContact O-N 2.87Å
291S49.9Very low58Low46 Ų4683.3 Ų83.332%0.32248%0.484SS..  trans-86.7-10.1-169.851.60000115.8S288 D293 R294S288-S291 WeakPolarHBondContact CB-OG 3.27Å; S288-S291 PolarHBondContact O-OG 2.96Å; S288-S291 WeakPolarHBondContact OG-CB 3.28Å; S288-S291 PolarHBondContact OG-OG 3.31Å; S291-D293 VanDerWaalsContact C-N 3.33Å; S291-D293 PolarHBondContact O-N 3.35Å; S291-R294 PolarHBondContact O-N 2.95Å
292K53Low61Low101 Ų10179.2 Ų79.244%0.43946%0.455SS..THydrogen-bonded Turntrans-65.7-30.2-156.5-61.7-169.2-171.976.70114.9S256 S289S256-K292 WeakPolarHBondContact CB-O 3.47Å; S256-K292 PolarHBondContact OG-O 3.44Å; S289-K292 PolarHBondContact O-NZ 3.17Å; S289-K292 VanDerWaalsContact O-NZ 3.07Å
293D69.7Low63.9Low67 Ų6773.8 Ų73.836%0.35842%0.418SS..THydrogen-bonded Turntrans-101.223.3-175.7-66-53.3000113.4T36 A37 S256 S291T36-D293 CarbonylContact C-O 3.54Å; T36-D293 WeakPolarHBondContact CA-O 3.46Å; A37-D293 HydrophobicContact CB-CB 3.96Å; A37-D293 PolarHBondContact N-O 2.82Å; S256-D293 WeakPolarHBondContact CA-OD1 3.48Å; S256-D293 WeakPolarHBondContact CB-OD1 3.44Å; S256-D293 PolarHBondContact OG-OD1 2.69Å; S291-D293 VanDerWaalsContact C-N 3.33Å; S291-D293 PolarHBondContact O-N 3.35Å
294R82.4Confident67Low135 Ų13565.4 Ų65.451%0.50938%0.382SS..EExtended strand (participates in β ladder)trans-125.2125.8179.9-171175.276.4156.72.7112.3T34 L35 T36 S291T34-R294 HydrophobicContact CG2-CG 3.52Å; L35-R294 CarbonylContact O-C 3.52Å; L35-R294 WeakPolarHBondContact O-CA 3.48Å; T36-R294 HydrophobicContact CG2-CB 4.29Å; T36-R294 WeakPolarHBondContact OG1-CG 3.33Å; S291-R294 PolarHBondContact O-N 2.95Å
295K85.8Confident69.7Low7 Ų756.9 Ų56.93%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-109.3137.2173.1-167.579.1-178.3-168.50110.2T34 L35 V258 L261 D264T34-K295 CarbonylContact C-O 3.59Å; T34-K295 WeakPolarHBondContact CA-O 3.31Å; L35-K295 PolarHBondContact N-O 2.65Å; L35-K295 PolarHBondContact O-N 2.98Å; V258-K295 HydrophobicContact CG1-CB 3.65Å; L261-K295 HydrophobicContact CB-CD 4.3Å; L261-K295 HydrophobicContact CB-CG 4.38Å; L261-K295 HydrophobicContact CD1-CB 4.35Å; L261-K295 HydrophobicContact CD1-CG 4.2Å; L261-K295 WeakPolarHBondContact O-CE 3.22Å; L261-K295 PolarHBondContact O-NZ 3.07Å; D264-K295 IonicContact OD1-NZ 2.65Å; D264-K295 PolarHBondContact OD1-NZ 2.8Å; D264-K295 IonicContact OD2-NZ 3.59Å; D264-K295 PolarHBondContact OD2-NZ 3.34Å
296V88.8Confident72.7Confident67 Ų6754 Ų5441%0.40632%0.315SS..EExtended strand (participates in β ladder)trans-114116.5175.2-176.40000108.4T32 T34T32-V296 HydrophobicContact CG2-CG1 3.8Å; T34-V296 HydrophobicContact CG2-CG2 4.08Å
297I91.2Very high75.1Confident0 Ų052.6 Ų52.60%030%0.299CS..EExtended strand (participates in β ladder)trans-98.7118.9178-70.7162.7000107.7T32 L33 L35 W263 L320 V329T32-I297 CarbonylContact C-O 3.54Å; T32-I297 WeakPolarHBondContact CA-O 3.42Å; T32-I297 VanDerWaalsContact CB-O 3.29Å; T32-I297 WeakPolarHBondContact CB-O 3.25Å; L33-I297 HydrophobicContact CB-CB 4.39Å; L33-I297 PolarHBondContact N-O 3.21Å; L33-I297 WeakPolarHBondContact O-CB 3.44Å; L33-I297 PolarHBondContact O-N 2.94Å; L35-I297 HydrophobicContact CD1-CD1 4.14Å; W263-I297 HydrophobicContact CD2-CD1 4.45Å; W263-I297 HydrophobicContact CD2-CG1 3.89Å; W263-I297 HydrophobicContact CD2-CG2 4.3Å; W263-I297 VanDerWaalsContact CE2-CG2 3.48Å; W263-I297 HydrophobicContact CE3-CD1 4.46Å; W263-I297 HydrophobicContact CE3-CG1 4.38Å; W263-I297 HydrophobicContact CG-CG1 4.04Å; W263-I297 HydrophobicContact CH2-CG2 4.06Å; W263-I297 HydrophobicContact CZ2-CB 4.43Å; W263-I297 HydrophobicContact CZ2-CG1 4.45Å; W263-I297 HydrophobicContact CZ2-CG2 3.34Å; I297-L320 HydrophobicContact CD1-CD2 4.42Å; I297-L320 HydrophobicContact CG2-CD2 3.94Å; I297-V329 HydrophobicContact CD1-CG1 4.31Å; I297-V329 HydrophobicContact CD1-CG2 4.04Å
298S91.5Very high77.6Confident61 Ų6149 Ų4943%0.42727%0.272SS..EExtended strand (participates in β ladder)trans-72.7138166.7-175.40000109.8C302S298-C302 PolarHBondContact O-SG 3.47Å
299L93.8Very high79.9Confident0 Ų049.7 Ų49.70%027%0.274CS..  trans-87.4-8-178.8-63.5174.8000113.7L28 E31 L33 M301 C302 L320 I346 N349 I350 L353L28-L299 HydrophobicContact CD1-CD1 3.58Å; E31-L299 PolarHBondContact O-N 2.8Å; L33-L299 HydrophobicContact CB-CD2 4.18Å; L299-M301 PolarHBondContact O-N 2.7Å; L299-M301 VanDerWaalsContact O-N 3.13Å; L299-C302 PolarHBondContact O-N 2.97Å; L299-C302 VanDerWaalsContact O-N 3.16Å; L299-L320 HydrophobicContact CD2-CD2 4.36Å; L299-I346 HydrophobicContact CD2-CG2 4.16Å; L299-N349 HydrophobicContact CD1-CB 3.84Å; L299-I350 HydrophobicContact CB-CG1 3.96Å; L299-I350 HydrophobicContact CD2-CG1 4.3Å; L299-L353 HydrophobicContact CB-CD1 3.94Å
300K89.8Confident81.9Confident72 Ų7247.7 Ų47.731%0.31325%0.253SS..THydrogen-bonded Turntrans-61.8116.8-174.9-175.6-179.3-179.9-179.80110.7C302 P323 L353 T357K300-C302 PolarHBondContact O-N 3.03Å; K300-P323 VanDerWaalsContact O-CG 3.27Å; K300-P323 WeakPolarHBondContact O-CG 3.48Å; K300-L353 HydrophobicContact CB-CD1 4.43Å; K300-T357 VanDerWaalsContact CE-OG1 3.29Å; K300-T357 WeakPolarHBondContact CE-OG1 3.49Å
301M92.5Very high83.9Confident11 Ų1147.5 Ų47.55%0.05425%0.249CC..THydrogen-bonded Turntrans57.121.5-177.6-62.3-61.3-59.700115.3L299 P323 L354 T357 I380 W382 V414 W416L299-M301 PolarHBondContact O-N 2.7Å; L299-M301 VanDerWaalsContact O-N 3.13Å; M301-P323 HydrophobicContact CB-CB 4.16Å; M301-P323 HydrophobicContact CB-CG 4.42Å; M301-P323 WeakPolarHBondContact O-CA 3.43Å; M301-P323 WeakPolarHBondContact O-CB 3.21Å; M301-L354 HydrophobicContact SD-CD1 4.04Å; M301-T357 HydrophobicContact CG-CG2 3.69Å; M301-T357 HydrophobicContact SD-CG2 3.88Å; M301-I380 HydrophobicContact CE-CD1 4.04Å; M301-I380 HydrophobicContact CE-CG1 4.11Å; M301-I380 HydrophobicContact CE-CG2 4.02Å; M301-I380 HydrophobicContact SD-CG2 4.37Å; M301-W382 PolarHBondContact O-NE1 2.89Å; M301-V414 HydrophobicContact CB-CG1 4.18Å; M301-V414 HydrophobicContact CB-CG2 4.02Å; M301-V414 HydrophobicContact CE-CG1 4.11Å; M301-V414 HydrophobicContact CE-CG2 4Å; M301-V414 HydrophobicContact CG-CG1 4.25Å; M301-W416 HydrophobicContact CB-CH2 4.07Å; M301-W416 HydrophobicContact CB-CZ2 4.06Å; M301-W416 HydrophobicContact CG-CH2 3.95Å; M301-W416 HydrophobicContact CG-CZ2 4.39Å
302C94.4Very high85.4Confident3 Ų345.9 Ų45.92%0.0224%0.237CC..  trans-73169.8162-62.80000109.8S298 L299 K300 L320 H321 I350S298-C302 PolarHBondContact O-SG 3.47Å; L299-C302 PolarHBondContact O-N 2.97Å; L299-C302 VanDerWaalsContact O-N 3.16Å; K300-C302 PolarHBondContact O-N 3.03Å; C302-L320 HydrophobicContact CB-CD1 4.09Å; C302-H321 WeakPolarHBondContact CA-O 3.27Å; C302-H321 VanDerWaalsContact CB-O 3.28Å; C302-H321 WeakPolarHBondContact CB-O 3.39Å; C302-I350 HydrophobicContact CB-CD1 4.25Å; C302-I350 VanDerWaalsContact O-CG2 3.29Å; C302-I350 WeakPolarHBondContact O-CG2 3.19Å
303F94.4Very high86.6Confident21 Ų2149.2 Ų49.29%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-132.6145.7161.969.2-79.5000110.9L308 H321 W382 P398F303-L308 HydrophobicContact CE2-CD2 3.75Å; F303-L308 HydrophobicContact CZ-CD2 4.38Å; F303-H321 HydrophobicContact CD1-CB 3.71Å; F303-H321 HydrophobicContact CD2-CB 4.36Å; F303-H321 AromaticContact CD2-CD2 3.51Å; F303-H321 HydrophobicContact CE1-CB 3.3Å; F303-H321 AromaticContact CE1-CG 3.8Å; F303-H321 HydrophobicContact CE2-CB 3.99Å; F303-H321 AromaticContact CE2-CD2 3.07Å; F303-H321 WeakPolarHBondContact CE2-CD2 3.22Å; F303-H321 AromaticContact CE2-CG 3.57Å; F303-H321 AromaticContact CE2-NE2 3.53Å; F303-H321 HydrophobicContact CG-CB 4.23Å; F303-H321 HydrophobicContact CZ-CB 3.42Å; F303-H321 VanDerWaalsContact CZ-CB 3.42Å; F303-H321 AromaticContact CZ-CD2 3.4Å; F303-H321 WeakPolarHBondContact CZ-CD2 3.42Å; F303-H321 AromaticContact CZ-CG 3.33Å; F303-H321 AromaticContact CZ-ND1 3.89Å; F303-H321 AromaticContact CZ-NE2 3.98Å; F303-H321 PolarHBondContact N-O 3.29Å; F303-H321 VanDerWaalsContact N-O 3.16Å; F303-H321 PolarHBondContact O-N 3.08Å; F303-W382 HydrophobicContact CB-CB 3.57Å; F303-W382 HydrophobicContact CB-CG 3.69Å; F303-W382 HydrophobicContact CD1-CB 3.81Å; F303-W382 AromaticContact CD1-CD1 3.55Å; F303-W382 AromaticContact CD1-CD2 3.25Å; F303-W382 HydrophobicContact CD1-CD2 3.25Å; F303-W382 AromaticContact CD1-CE2 3.49Å; F303-W382 VanDerWaalsContact CD1-CE2 3.49Å; F303-W382 AromaticContact CD1-CE3 3.78Å; F303-W382 HydrophobicContact CD1-CE3 3.78Å; F303-W382 AromaticContact CD1-CG 3.28Å; F303-W382 HydrophobicContact CD1-CG 3.28Å; F303-W382 HydrophobicContact CD1-CZ2 4.16Å; F303-W382 HydrophobicContact CD1-CZ3 4.42Å; F303-W382 AromaticContact CD1-NE1 3.67Å; F303-W382 HydrophobicContact CD2-CB 4.38Å; F303-W382 AromaticContact CE1-CD2 3.54Å; F303-W382 HydrophobicContact CE1-CD2 3.54Å; F303-W382 AromaticContact CE1-CE2 3.82Å; F303-W382 AromaticContact CE1-CE3 3.56Å; F303-W382 HydrophobicContact CE1-CE3 3.56Å; F303-W382 HydrophobicContact CE1-CG 4.05Å; F303-W382 HydrophobicContact CE1-CH2 4.09Å; F303-W382 HydrophobicContact CE1-CZ2 4.07Å; F303-W382 AromaticContact CE1-CZ3 3.85Å; F303-W382 HydrophobicContact CE1-CZ3 3.85Å; F303-W382 HydrophobicContact CG-CB 3.68Å; F303-W382 AromaticContact CG-CD1 4Å; F303-W382 HydrophobicContact CG-CD2 4.09Å; F303-W382 AromaticContact CG-CG 3.67Å; F303-W382 HydrophobicContact CG-CG 3.67Å; F303-W382 HydrophobicContact CZ-CE3 4.32Å; F303-P398 HydrophobicContact CE1-CB 4Å; F303-P398 HydrophobicContact CE2-CB 4.13Å; F303-P398 HydrophobicContact CZ-CB 3.4Å; F303-P398 HydrophobicContact CZ-CG 4.18Å
304I95.3Very high87.2Confident5 Ų551.3 Ų51.33%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-108.9128171.1-177.1168.9000107.8L318 E319 L320 F343 I346 H347 I350I304-L318 HydrophobicContact CD1-CB 4.24Å; I304-L318 HydrophobicContact CD1-CD1 4.39Å; I304-L318 HydrophobicContact CD1-CD2 4.43Å; I304-E319 CarbonylContact C-O 3.48Å; I304-E319 VanDerWaalsContact CA-O 3.3Å; I304-E319 WeakPolarHBondContact CA-O 3.09Å; I304-L320 HydrophobicContact CB-CD1 4.25Å; I304-F343 HydrophobicContact CD1-CD2 3.99Å; I304-F343 HydrophobicContact CG1-CD2 3.91Å; I304-F343 HydrophobicContact CG1-CE2 4.14Å; I304-F343 HydrophobicContact CG2-CD2 4.25Å; I304-F343 HydrophobicContact CG2-CE2 3.91Å; I304-F343 HydrophobicContact CG2-CZ 4.47Å; I304-I346 HydrophobicContact CB-CG2 4.14Å; I304-I346 HydrophobicContact CD1-CB 3.8Å; I304-I346 HydrophobicContact CD1-CD1 3.8Å; I304-I346 HydrophobicContact CD1-CG1 4.39Å; I304-I346 HydrophobicContact CD1-CG2 3.81Å; I304-I346 HydrophobicContact CG2-CG2 4.13Å; I304-H347 HydrophobicContact CG2-CB 3.84Å; I304-I350 HydrophobicContact CB-CD1 4.36Å; I304-I350 HydrophobicContact CG2-CD1 4.06Å
305S93Very high87.5Confident0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-126.8168.2177.778.80000111.5L308 E319 H321 E471S305-L308 VanDerWaalsContact OG-CB 3.27Å; S305-L308 WeakPolarHBondContact OG-CB 3.49Å; S305-E319 PolarHBondContact N-O 2.93Å; S305-E319 PolarHBondContact O-N 2.81Å; S305-H321 PolarHBondContact OG-NE2 3.32Å; S305-E471 VanDerWaalsContact CA-OE2 3.26Å; S305-E471 WeakPolarHBondContact CA-OE2 3.39Å
306R89.4Confident87.8Confident43 Ų4352.4 Ų52.416%0.16228%0.277CS..SBendtrans-131.7132.2171.7-54.6-179.275.9176.61.4109.9L308 N315 L318 S340 F343 R469 E471R306-L308 VanDerWaalsContact C-N 3.34Å; R306-L308 PolarHBondContact O-N 2.66Å; R306-N315 PolarHBondContact NH2-O 2.98Å; R306-L318 HydrophobicContact CG-CD2 3.95Å; R306-S340 PolarHBondContact NH1-OG 2.81Å; R306-F343 HydrophobicContact CG-CD2 3.78Å; R306-F343 HydrophobicContact CG-CE2 4.14Å; R306-R469 PolarHBondContact O-NH1 2.84Å; R306-R469 PolarHBondContact O-NH2 3.24Å; R306-E471 PolarHBondContact N-OE2 3.14Å
307N85.3Confident88Confident83 Ų8349.9 Ų49.944%0.44426%0.261SS..SBendtrans55.846.8177.5-169.983.2000112P311 D312 E319N307-P311 WeakPolarHBondContact OD1-CA 3.01Å; N307-D312 HydrophobicContact CB-CB 4.32Å; N307-D312 PolarHBondContact OD1-N 2.85Å; N307-E319 PolarHBondContact N-OE1 3.32Å
308L84.1Confident88.2Confident19 Ų1949.9 Ų49.910%0.09926%0.261CS..SBendtrans-99.4-52.5177.6177.561.8000110.9F303 S305 R306 E319 A384 F396F303-L308 HydrophobicContact CE2-CD2 3.75Å; F303-L308 HydrophobicContact CZ-CD2 4.38Å; S305-L308 VanDerWaalsContact OG-CB 3.27Å; S305-L308 WeakPolarHBondContact OG-CB 3.49Å; R306-L308 VanDerWaalsContact C-N 3.34Å; R306-L308 PolarHBondContact O-N 2.66Å; L308-E319 PolarHBondContact N-OE1 2.83Å; L308-A384 HydrophobicContact CD1-CB 3.74Å; L308-F396 HydrophobicContact CD1-CB 3.68Å
309T80.6Confident88.4Confident82 Ų8247 Ų4750%0.50324%0.241SC..SBendtrans-109.4-28.1175.271.60000112.6E319T309-E319 WeakPolarHBondContact CB-OE2 3.28Å; T309-E319 PolarHBondContact N-OE1 2.64Å; T309-E319 VanDerWaalsContact N-OE1 3.08Å; T309-E319 PolarHBondContact N-OE2 3.39Å; T309-E319 PolarHBondContact OG1-OE2 3.45Å
310M78.4Confident88.4Confident69 Ų6947 Ų4734%0.3424%0.241SC..SBendtrans-114.1118.4-175-71.8-65.2-69.100111.8L16 D312 L317 E319 V330L16-M310 HydrophobicContact CD2-CE 4.16Å; M310-D312 PolarHBondContact O-N 3.2Å; M310-L317 HydrophobicContact CB-CD1 4.22Å; M310-E319 PolarHBondContact N-OE1 3.43Å; M310-V330 HydrophobicContact CG-CG2 4.27Å
311P78.8Confident88.6Confident105 Ų10543.8 Ų43.868%0.68223%0.227SC*.  trans-59.7119.2177-26.235.6000113.3N307N307-P311 WeakPolarHBondContact OD1-CA 3.01Å
312D81.6Confident88.4Confident13 Ų1343.4 Ų43.47%0.0723%0.225CC..  trans-116.375.8-175.9-174.915.2000112.3N307 M310 E314 N315 R316 L317N307-D312 HydrophobicContact CB-CB 4.32Å; N307-D312 PolarHBondContact OD1-N 2.85Å; M310-D312 PolarHBondContact O-N 3.2Å; D312-E314 PolarHBondContact O-N 2.82Å; D312-E314 PolarHBondContact OD1-N 2.85Å; D312-N315 VanDerWaalsContact CG-CA 3.47Å; D312-N315 PolarHBondContact O-N 2.87Å; D312-N315 WeakPolarHBondContact OD1-CA 3.2Å; D312-N315 PolarHBondContact OD1-N 2.94Å; D312-N315 WeakPolarHBondContact OD2-CA 3.36Å; D312-R316 VanDerWaalsContact CG-N 3.31Å; D312-R316 PolarHBondContact OD1-N 3Å; D312-R316 PolarHBondContact OD2-N 3.45Å; D312-L317 HydrophobicContact CB-CB 4.02Å; D312-L317 HydrophobicContact CB-CD1 4.11Å; D312-L317 HydrophobicContact CB-CG 4.08Å; D312-L317 PolarHBondContact OD2-N 3.3Å
313L77.5Confident88.1Confident170 Ų17044.3 Ų44.389%0.8923%0.231SC*.THydrogen-bonded Turntrans-63.5-21.2177.9-62.9176.8000113.5
314E82.9Confident87.4Confident112 Ų11244.9 Ų44.952%0.52324%0.235SC..THydrogen-bonded Turntrans-98.8-5.7-175.8-55.2-178.6129.100112.9D312 R316D312-E314 PolarHBondContact O-N 2.82Å; D312-E314 PolarHBondContact OD1-N 2.85Å; E314-R316 HydrophobicContact CB-CB 4.31Å; E314-R316 HydrophobicContact CB-CG 3.8Å; E314-R316 PolarHBondContact O-N 2.88Å; E314-R316 IonicContact OE1-CZ 2.87Å; E314-R316 IonicContact OE1-NE 2.68Å; E314-R316 IonicContact OE1-NH2 3.79Å; E314-R316 PolarHBondContact OE1-NH2 2.76Å; E314-R316 IonicContact OE2-CZ 3.68Å; E314-R316 IonicContact OE2-NE 3.91Å; E314-R316 PolarHBondContact OE2-NE 3.43Å; E314-R316 IonicContact OE2-NH2 3.76Å; E314-R316 PolarHBondContact OE2-NH2 3.2Å
315N87.6Confident86.7Confident93 Ų9345.8 Ų45.850%0.49725%0.246SC..SBendtrans55.333.5-170.4-66.3-100.7000113.1R306 D312 G336 A339R306-N315 PolarHBondContact NH2-O 2.98Å; D312-N315 VanDerWaalsContact CG-CA 3.47Å; D312-N315 PolarHBondContact O-N 2.87Å; D312-N315 WeakPolarHBondContact OD1-CA 3.2Å; D312-N315 PolarHBondContact OD1-N 2.94Å; D312-N315 WeakPolarHBondContact OD2-CA 3.36Å; N315-G336 WeakPolarHBondContact O-CA 3.27Å; N315-A339 WeakPolarHBondContact O-CB 3.26Å
316R93.4Very high86.1Confident71 Ų7152.4 Ų52.427%0.26828%0.277SS..  trans-105-8.9-176.7-64.2-158.4-68.2-176.6-8.3114.9D312 E314 R332 C333 K334D312-R316 VanDerWaalsContact CG-N 3.31Å; D312-R316 PolarHBondContact OD1-N 3Å; D312-R316 PolarHBondContact OD2-N 3.45Å; E314-R316 HydrophobicContact CB-CB 4.31Å; E314-R316 HydrophobicContact CB-CG 3.8Å; E314-R316 PolarHBondContact O-N 2.88Å; E314-R316 IonicContact OE1-CZ 2.87Å; E314-R316 IonicContact OE1-NE 2.68Å; E314-R316 IonicContact OE1-NH2 3.79Å; E314-R316 PolarHBondContact OE1-NH2 2.76Å; E314-R316 IonicContact OE2-CZ 3.68Å; E314-R316 IonicContact OE2-NE 3.91Å; E314-R316 PolarHBondContact OE2-NE 3.43Å; E314-R316 IonicContact OE2-NH2 3.76Å; E314-R316 PolarHBondContact OE2-NH2 3.2Å; R316-R332 HydrophobicContact CB-CG 4.32Å; R316-R332 WeakPolarHBondContact O-CA 3.21Å; R316-C333 PolarHBondContact O-N 2.94Å; R316-K334 VanDerWaalsContact CD-O 3.24Å; R316-K334 WeakPolarHBondContact CD-O 3.41Å; R316-K334 PolarHBondContact NH1-O 3.44Å
317L93.5Very high85.8Confident14 Ų1452.2 Ų52.27%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-96.5150-175.5-54.7-173.7000112.2W21 M310 D312 L331 R332W21-L317 HydrophobicContact CH2-CD2 3.7Å; W21-L317 HydrophobicContact CZ2-CD2 4.15Å; M310-L317 HydrophobicContact CB-CD1 4.22Å; D312-L317 HydrophobicContact CB-CB 4.02Å; D312-L317 HydrophobicContact CB-CD1 4.11Å; D312-L317 HydrophobicContact CB-CG 4.08Å; D312-L317 PolarHBondContact OD2-N 3.3Å; L317-L331 CarbonylContact C-O 3.59Å; L317-L331 WeakPolarHBondContact CA-O 3.33Å; L317-R332 HydrophobicContact CD2-CB 3.64Å; L317-R332 HydrophobicContact CD2-CG 3.9Å
318L95.2Very high86Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-135.3131.2171.9-56.8175.6000107.7I304 R306 V330 L331 A339 W342 F343I304-L318 HydrophobicContact CD1-CB 4.24Å; I304-L318 HydrophobicContact CD1-CD1 4.39Å; I304-L318 HydrophobicContact CD1-CD2 4.43Å; R306-L318 HydrophobicContact CG-CD2 3.95Å; L318-V330 WeakPolarHBondContact O-CA 3.37Å; L318-L331 HydrophobicContact CB-CB 4.41Å; L318-L331 PolarHBondContact N-O 2.99Å; L318-L331 PolarHBondContact O-N 2.92Å; L318-A339 HydrophobicContact CD2-CB 4.47Å; L318-W342 HydrophobicContact CD1-CB 3.56Å; L318-F343 HydrophobicContact CD2-CB 3.72Å; L318-F343 HydrophobicContact CD2-CD2 4.17Å; L318-F343 HydrophobicContact CD2-CG 4.42Å
319E94.1Very high86.4Confident0 Ų050.3 Ų50.30%027%0.27CS..EExtended strand (participates in β ladder)trans-108.7111.8176.5-56174.6-133.800108I304 S305 N307 L308 T309 M310 H321 T328 V330I304-E319 CarbonylContact C-O 3.48Å; I304-E319 VanDerWaalsContact CA-O 3.3Å; I304-E319 WeakPolarHBondContact CA-O 3.09Å; S305-E319 PolarHBondContact N-O 2.93Å; S305-E319 PolarHBondContact O-N 2.81Å; N307-E319 PolarHBondContact N-OE1 3.32Å; L308-E319 PolarHBondContact N-OE1 2.83Å; T309-E319 WeakPolarHBondContact CB-OE2 3.28Å; T309-E319 PolarHBondContact N-OE1 2.64Å; T309-E319 VanDerWaalsContact N-OE1 3.08Å; T309-E319 PolarHBondContact N-OE2 3.39Å; T309-E319 PolarHBondContact OG1-OE2 3.45Å; M310-E319 PolarHBondContact N-OE1 3.43Å; E319-H321 VanDerWaalsContact CB-NE2 3.26Å; E319-H321 WeakPolarHBondContact CB-NE2 3.34Å; E319-H321 PolarHBondContact O-CD2 2.94Å; E319-H321 IonicContact OE2-CE1 3.92Å; E319-H321 PolarHBondContact OE2-CE1 3.43Å; E319-H321 IonicContact OE2-NE2 2.59Å; E319-T328 HydrophobicContact CB-CG2 4.23Å; E319-V330 HydrophobicContact CG-CG2 4.44Å
320L95.4Very high87Confident1 Ų147 Ų471%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-102116.9174.8178.363.5000109.4L33 W263 I297 L299 C302 I304 V329 I346 I350L33-L320 HydrophobicContact CD2-CD2 3.66Å; W263-L320 HydrophobicContact CH2-CG 4.15Å; I297-L320 HydrophobicContact CD1-CD2 4.42Å; I297-L320 HydrophobicContact CG2-CD2 3.94Å; L299-L320 HydrophobicContact CD2-CD2 4.36Å; C302-L320 HydrophobicContact CB-CD1 4.09Å; I304-L320 HydrophobicContact CB-CD1 4.25Å; L320-V329 HydrophobicContact CB-CB 4.43Å; L320-V329 PolarHBondContact N-O 3.22Å; L320-V329 PolarHBondContact O-N 2.8Å; L320-I346 HydrophobicContact CD1-CG2 4.23Å; L320-I350 HydrophobicContact CD1-CD1 4.16Å
321H92.7Very high87.8Confident5 Ų543.7 Ų43.72%0.02323%0.233CC..EExtended strand (participates in β ladder)trans-111.8143.9-173.2-48.1-99.5000111.4C302 F303 S305 E319 H327 T328C302-H321 WeakPolarHBondContact CA-O 3.27Å; C302-H321 VanDerWaalsContact CB-O 3.28Å; C302-H321 WeakPolarHBondContact CB-O 3.39Å; F303-H321 HydrophobicContact CD1-CB 3.71Å; F303-H321 HydrophobicContact CD2-CB 4.36Å; F303-H321 AromaticContact CD2-CD2 3.51Å; F303-H321 HydrophobicContact CE1-CB 3.3Å; F303-H321 AromaticContact CE1-CG 3.8Å; F303-H321 HydrophobicContact CE2-CB 3.99Å; F303-H321 AromaticContact CE2-CD2 3.07Å; F303-H321 WeakPolarHBondContact CE2-CD2 3.22Å; F303-H321 AromaticContact CE2-CG 3.57Å; F303-H321 AromaticContact CE2-NE2 3.53Å; F303-H321 HydrophobicContact CG-CB 4.23Å; F303-H321 HydrophobicContact CZ-CB 3.42Å; F303-H321 VanDerWaalsContact CZ-CB 3.42Å; F303-H321 AromaticContact CZ-CD2 3.4Å; F303-H321 WeakPolarHBondContact CZ-CD2 3.42Å; F303-H321 AromaticContact CZ-CG 3.33Å; F303-H321 AromaticContact CZ-ND1 3.89Å; F303-H321 AromaticContact CZ-NE2 3.98Å; F303-H321 PolarHBondContact N-O 3.29Å; F303-H321 VanDerWaalsContact N-O 3.16Å; F303-H321 PolarHBondContact O-N 3.08Å; S305-H321 PolarHBondContact OG-NE2 3.32Å; E319-H321 VanDerWaalsContact CB-NE2 3.26Å; E319-H321 WeakPolarHBondContact CB-NE2 3.34Å; E319-H321 PolarHBondContact O-CD2 2.94Å; E319-H321 IonicContact OE2-CE1 3.92Å; E319-H321 PolarHBondContact OE2-CE1 3.43Å; E319-H321 IonicContact OE2-NE2 2.59Å; H321-H327 WeakPolarHBondContact CA-O 3.39Å; H321-T328 WeakPolarHBondContact ND1-CG2 3.22Å; H321-T328 PolarHBondContact ND1-OG1 3.4Å
322S88.8Confident88.6Confident2 Ų241.7 Ų41.71%0.01421%0.212CC..  trans-74161.4-177.951.90000113.5W263 D324 G325 H327W263-S322 VanDerWaalsContact CH2-N 3.33Å; S322-D324 VanDerWaalsContact CB-OD1 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.41Å; S322-D324 PolarHBondContact O-N 3.45Å; S322-D324 PolarHBondContact OG-OD1 2.9Å; S322-G325 PolarHBondContact O-N 3.45Å; S322-H327 PolarHBondContact N-O 3.2Å; S322-H327 WeakPolarHBondContact OG-CA 3.37Å; S322-H327 WeakPolarHBondContact OG-CB 3.25Å; S322-H327 PolarHBondContact OG-N 2.78Å; S322-H327 PolarHBondContact OG-O 3.47Å; S322-H327 VanDerWaalsContact OG-O 3.07Å
323P87.6Confident89.2Confident22 Ų2241.2 Ų41.214%0.14321%0.21CC..THydrogen-bonded Turntrans-68.9-12.3179.4-17.432.3000114.6K300 M301 V414 W416K300-P323 VanDerWaalsContact O-CG 3.27Å; K300-P323 WeakPolarHBondContact O-CG 3.48Å; M301-P323 HydrophobicContact CB-CB 4.16Å; M301-P323 HydrophobicContact CB-CG 4.42Å; M301-P323 WeakPolarHBondContact O-CA 3.43Å; M301-P323 WeakPolarHBondContact O-CB 3.21Å; P323-V414 HydrophobicContact CB-CB 4.24Å; P323-V414 HydrophobicContact CB-CG2 4.04Å; P323-V414 VanDerWaalsContact O-CB 3.26Å; P323-V414 WeakPolarHBondContact O-CB 3.39Å; P323-V414 VanDerWaalsContact O-CG2 3.27Å; P323-V414 WeakPolarHBondContact O-CG2 3.46Å; P323-V414 PolarHBondContact O-N 2.78Å; P323-W416 HydrophobicContact CB-CZ2 3.74Å; P323-W416 HydrophobicContact CG-CZ2 4.36Å
324D80.3Confident90Very high34 Ų3440.9 Ų40.918%0.18220%0.201CC..THydrogen-bonded Turntrans-89.4-6.5172.457.625.1000113.1S322 Q326 H327 S413S322-D324 VanDerWaalsContact CB-OD1 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.41Å; S322-D324 PolarHBondContact O-N 3.45Å; S322-D324 PolarHBondContact OG-OD1 2.9Å; D324-Q326 HydrophobicContact CB-CG 4.32Å; D324-Q326 PolarHBondContact O-N 3.1Å; D324-Q326 PolarHBondContact O-NE2 2.83Å; D324-Q326 PolarHBondContact OD1-N 3.21Å; D324-H327 IonicContact OD1-ND1 3.75Å; D324-H327 PolarHBondContact OD1-ND1 2.75Å; D324-H327 IonicContact OD2-CE1 3.7Å; D324-H327 PolarHBondContact OD2-CE1 3.3Å; D324-H327 IonicContact OD2-ND1 2.78Å; D324-H327 PolarHBondContact OD2-ND1 2.87Å; D324-H327 VanDerWaalsContact OD2-ND1 3.11Å; D324-S413 WeakPolarHBondContact O-CB 3.5Å
325G81Confident90.5Very high24 Ų2438 Ų3825%0.24719%0.189CC..SBendtrans71.4-4.6-175.300000115.3S322S322-G325 PolarHBondContact O-N 3.45Å
326Q79.7Confident90.7Very high138 Ų13834.6 Ų34.665%0.64518%0.176SC*.  trans-88.5-24.6-171.4-57.7-55.7-55.200113.8D324D324-Q326 HydrophobicContact CB-CG 4.32Å; D324-Q326 PolarHBondContact O-N 3.1Å; D324-Q326 PolarHBondContact O-NE2 2.83Å; D324-Q326 PolarHBondContact OD1-N 3.21Å
327H83.6Confident90.7Very high40 Ų4034.8 Ų34.819%0.18519%0.193CC..  trans-118.5118.7-170.4-50.899000110.9Q262 W263 H321 S322 D324Q262-H327 PolarHBondContact O-NE2 3.21Å; W263-H327 HydrophobicContact CE3-CB 3.97Å; W263-H327 HydrophobicContact CZ3-CB 4.3Å; W263-H327 WeakPolarHBondContact CZ3-O 3.39Å; H321-H327 WeakPolarHBondContact CA-O 3.39Å; S322-H327 PolarHBondContact N-O 3.2Å; S322-H327 WeakPolarHBondContact OG-CA 3.37Å; S322-H327 WeakPolarHBondContact OG-CB 3.25Å; S322-H327 PolarHBondContact OG-N 2.78Å; S322-H327 PolarHBondContact OG-O 3.47Å; S322-H327 VanDerWaalsContact OG-O 3.07Å; D324-H327 IonicContact OD1-ND1 3.75Å; D324-H327 PolarHBondContact OD1-ND1 2.75Å; D324-H327 IonicContact OD2-CE1 3.7Å; D324-H327 PolarHBondContact OD2-CE1 3.3Å; D324-H327 IonicContact OD2-ND1 2.78Å; D324-H327 PolarHBondContact OD2-ND1 2.87Å; D324-H327 VanDerWaalsContact OD2-ND1 3.11Å
328T89.6Confident90.8Very high57 Ų5736.1 Ų36.135%0.3520%0.202SC..EExtended strand (participates in β ladder)trans-115.8131.8177.7-570000110.5E319 H321 V330E319-T328 HydrophobicContact CB-CG2 4.23Å; H321-T328 WeakPolarHBondContact ND1-CG2 3.22Å; H321-T328 PolarHBondContact ND1-OG1 3.4Å; T328-V330 HydrophobicContact CG2-CG2 3.97Å
329V91.4Very high90.8Very high4 Ų436.1 Ų36.12%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-112103.5176.2167.80000107.5L15 L35 L261 W263 I297 L320 L331L15-V329 HydrophobicContact CD1-CG1 3.79Å; L35-V329 HydrophobicContact CD1-CG1 3.94Å; L261-V329 HydrophobicContact CD1-CG2 4.43Å; L261-V329 HydrophobicContact CD2-CG2 4.4Å; W263-V329 HydrophobicContact CE3-CG2 3.72Å; W263-V329 HydrophobicContact CZ3-CB 4.27Å; W263-V329 HydrophobicContact CZ3-CG2 3.65Å; I297-V329 HydrophobicContact CD1-CG1 4.31Å; I297-V329 HydrophobicContact CD1-CG2 4.04Å; L320-V329 HydrophobicContact CB-CB 4.43Å; L320-V329 PolarHBondContact N-O 3.22Å; L320-V329 PolarHBondContact O-N 2.8Å; V329-L331 HydrophobicContact CG1-CD1 4.34Å; V329-L331 HydrophobicContact CG1-CD2 3.87Å; V329-L331 HydrophobicContact CG1-CG 3.98Å
330V93.6Very high90.8Very high12 Ų1238.5 Ų38.57%0.07322%0.219CC..EExtended strand (participates in β ladder)trans-90.2122.3179.1-171.30000109.4L16 W21 M310 L318 E319 T328L16-V330 HydrophobicContact CB-CB 4.05Å; L16-V330 HydrophobicContact CD2-CB 4.27Å; L16-V330 PolarHBondContact N-O 2.86Å; W21-V330 HydrophobicContact CH2-CG1 4.11Å; M310-V330 HydrophobicContact CG-CG2 4.27Å; L318-V330 WeakPolarHBondContact O-CA 3.37Å; E319-V330 HydrophobicContact CG-CG2 4.44Å; T328-V330 HydrophobicContact CG2-CG2 3.97Å
331L95.1Very high90.8Very high1 Ų141.6 Ų41.61%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-117.9129.5-176.4-58.5169.3000109.4L13 D14 L15 L33 L35 L317 L318 V329L13-L331 HydrophobicContact CD1-CB 4.33Å; L13-L331 HydrophobicContact CD1-CD1 4.01Å; L13-L331 HydrophobicContact CD1-CD2 4.36Å; L13-L331 HydrophobicContact CD1-CG 4.46Å; D14-L331 CarbonylContact O-C 3.6Å; D14-L331 WeakPolarHBondContact O-CA 3.22Å; L15-L331 HydrophobicContact CB-CD2 4.45Å; L15-L331 HydrophobicContact CD1-CD2 4.02Å; L33-L331 HydrophobicContact CD2-CD1 3.93Å; L35-L331 HydrophobicContact CD1-CD2 4.09Å; L35-L331 HydrophobicContact CD2-CD2 4.36Å; L317-L331 CarbonylContact C-O 3.59Å; L317-L331 WeakPolarHBondContact CA-O 3.33Å; L318-L331 HydrophobicContact CB-CB 4.41Å; L318-L331 PolarHBondContact N-O 2.99Å; L318-L331 PolarHBondContact O-N 2.92Å; V329-L331 HydrophobicContact CG1-CD1 4.34Å; V329-L331 HydrophobicContact CG1-CD2 3.87Å; V329-L331 HydrophobicContact CG1-CG 3.98Å
332R95.1Very high90.9Very high63 Ų6341.6 Ų41.624%0.23824%0.24CC..EExtended strand (participates in β ladder)trans-105.3129.6172.7178.5-179.372.2-170.51.4110.2D14 W21 R316 L317D14-R332 HydrophobicContact CB-CB 4.25Å; D14-R332 PolarHBondContact N-O 3.05Å; D14-R332 PolarHBondContact O-N 3.02Å; D14-R332 IonicContact OD2-CZ 3.4Å; D14-R332 IonicContact OD2-NE 3.27Å; D14-R332 PolarHBondContact OD2-NE 2.68Å; D14-R332 VanDerWaalsContact OD2-NE 3.11Å; D14-R332 IonicContact OD2-NH2 3.11Å; D14-R332 PolarHBondContact OD2-NH2 3.09Å; W21-R332 HydrophobicContact CE3-CB 3.88Å; W21-R332 HydrophobicContact CH2-CB 3.75Å; W21-R332 HydrophobicContact CZ2-CB 4.44Å; W21-R332 HydrophobicContact CZ3-CB 3.42Å; W21-R332 VanDerWaalsContact CZ3-CB 3.42Å; R316-R332 HydrophobicContact CB-CG 4.32Å; R316-R332 WeakPolarHBondContact O-CA 3.21Å; L317-R332 HydrophobicContact CD2-CB 3.64Å; L317-R332 HydrophobicContact CD2-CG 3.9Å
333C95.6Very high91.3Very high2 Ų242.1 Ų42.11%0.01424%0.242CC..  trans-92.2165.2171.5-65.20000111.9L13 R316 D335 T338 A339L13-C333 HydrophobicContact CD2-CB 4.39Å; L13-C333 WeakPolarHBondContact CD2-SG 3.44Å; R316-C333 PolarHBondContact O-N 2.94Å; C333-D335 VanDerWaalsContact C-N 3.32Å; C333-D335 PolarHBondContact O-N 2.91Å; C333-T338 HydrophobicContact CB-CG2 3.92Å; C333-A339 HydrophobicContact CB-CB 3.87Å; C333-A339 VanDerWaalsContact SG-CA 3.51Å
334K93.8Very high91.6Very high164 Ų16445 Ų4571%0.71326%0.259SS*.SBendtrans-53.6-47.4174.3-179.5-170.9168.7-157.60112.7R316R316-K334 VanDerWaalsContact CD-O 3.24Å; R316-K334 WeakPolarHBondContact CD-O 3.41Å; R316-K334 PolarHBondContact NH1-O 3.44Å
335D93.9Very high92.4Very high50 Ų5043.8 Ų43.827%0.26725%0.254SS..SBendtrans-151165.3-173.152.663.3000110.7C333 A337 T338 A339C333-D335 VanDerWaalsContact C-N 3.32Å; C333-D335 PolarHBondContact O-N 2.91Å; D335-A337 VanDerWaalsContact C-N 3.3Å; D335-A337 PolarHBondContact O-N 3.09Å; D335-A337 PolarHBondContact OD1-N 3.2Å; D335-T338 VanDerWaalsContact CG-OG1 3.3Å; D335-T338 WeakPolarHBondContact O-CB 3.27Å; D335-T338 PolarHBondContact O-N 2.98Å; D335-T338 WeakPolarHBondContact OD1-CB 3.27Å; D335-T338 PolarHBondContact OD1-N 3.07Å; D335-T338 PolarHBondContact OD1-OG1 2.82Å; D335-T338 PolarHBondContact OD2-OG1 3.25Å; D335-A339 PolarHBondContact O-N 3Å
336G92.1Very high93.1Very high22 Ų2242.6 Ų42.623%0.22724%0.242CC..Hα-helixtrans-70.4-20.8-173.800000115.3N315 S340N315-G336 WeakPolarHBondContact O-CA 3.27Å; G336-S340 WeakPolarHBondContact O-CB 3.47Å; G336-S340 PolarHBondContact O-N 2.89Å; G336-S340 PolarHBondContact O-OG 2.92Å
337A93.6Very high93.9Very high76 Ų7637.2 Ų37.263%0.62822%0.217SC*.Hα-helixtrans-72.2-45.1171.100000110.4D335 A339 S340 S341D335-A337 VanDerWaalsContact C-N 3.3Å; D335-A337 PolarHBondContact O-N 3.09Å; D335-A337 PolarHBondContact OD1-N 3.2Å; A337-A339 VanDerWaalsContact C-N 3.34Å; A337-A339 PolarHBondContact O-N 2.82Å; A337-S340 PolarHBondContact O-N 2.94Å; A337-S341 WeakPolarHBondContact O-CB 3.4Å; A337-S341 PolarHBondContact O-N 3.3Å
338T94.7Very high94.4Very high42 Ų4236.3 Ų36.326%0.25821%0.214SC..Hα-helixtrans-60.2-43.1172.6-58.60000111.1C333 D335 S341 W342C333-T338 HydrophobicContact CB-CG2 3.92Å; D335-T338 VanDerWaalsContact CG-OG1 3.3Å; D335-T338 WeakPolarHBondContact O-CB 3.27Å; D335-T338 PolarHBondContact O-N 2.98Å; D335-T338 WeakPolarHBondContact OD1-CB 3.27Å; D335-T338 PolarHBondContact OD1-N 3.07Å; D335-T338 PolarHBondContact OD1-OG1 2.82Å; D335-T338 PolarHBondContact OD2-OG1 3.25Å; T338-S341 PolarHBondContact O-N 3.34Å; T338-W342 VanDerWaalsContact O-CD1 3.25Å; T338-W342 PolarHBondContact O-N 2.86Å
339A94.8Very high94.6Very high0 Ų033.6 Ų33.60%020%0.197CC..Hα-helixtrans-60-50.6174.900000112.1N315 L318 C333 D335 A337 S341 W342 F343N315-A339 WeakPolarHBondContact O-CB 3.26Å; L318-A339 HydrophobicContact CD2-CB 4.47Å; C333-A339 HydrophobicContact CB-CB 3.87Å; C333-A339 VanDerWaalsContact SG-CA 3.51Å; D335-A339 PolarHBondContact O-N 3Å; A337-A339 VanDerWaalsContact C-N 3.34Å; A337-A339 PolarHBondContact O-N 2.82Å; A339-S341 VanDerWaalsContact C-N 3.28Å; A339-S341 PolarHBondContact O-N 2.78Å; A339-W342 PolarHBondContact O-N 2.95Å; A339-W342 VanDerWaalsContact O-N 3.14Å; A339-F343 WeakPolarHBondContact O-CB 3.3Å; A339-F343 PolarHBondContact O-N 3.11Å
340S93.8Very high94.8Very high50 Ų5034.5 Ų34.535%0.3520%0.202SC..Hα-helixtrans-62-35.5177.5-550000112.5R306 G336 A337 T344R306-S340 PolarHBondContact NH1-OG 2.81Å; G336-S340 WeakPolarHBondContact O-CB 3.47Å; G336-S340 PolarHBondContact O-N 2.89Å; G336-S340 PolarHBondContact O-OG 2.92Å; A337-S340 PolarHBondContact O-N 2.94Å; S340-T344 PolarHBondContact O-N 2.94Å; S340-T344 PolarHBondContact O-OG1 3.08Å; S340-T344 VanDerWaalsContact O-OG1 3.1Å
341S95.3Very high94.7Very high65 Ų6534.7 Ų34.746%0.45520%0.204SC..Hα-helixtrans-67.1-37.9173.6173.80000113.3K9 A337 T338 A339 A345K9-S341 VanDerWaalsContact NZ-C 3.34Å; K9-S341 PolarHBondContact NZ-O 2.8Å; K9-S341 PolarHBondContact NZ-OG 3.35Å; A337-S341 WeakPolarHBondContact O-CB 3.4Å; A337-S341 PolarHBondContact O-N 3.3Å; T338-S341 PolarHBondContact O-N 3.34Å; A339-S341 VanDerWaalsContact C-N 3.28Å; A339-S341 PolarHBondContact O-N 2.78Å; S341-A345 WeakPolarHBondContact O-CB 3.44Å; S341-A345 PolarHBondContact O-N 2.87Å
342W96.5Very high94.6Very high6 Ų635 Ų352%0.02321%0.208CC..Hα-helixtrans-72.5-41.3173.9-83.3109.3000111.9K9 L13 A26 L28 L318 T338 A339 A345 I346K9-W342 HydrophobicContact CB-CH2 4.49Å; K9-W342 HydrophobicContact CB-CZ3 4.26Å; K9-W342 HydrophobicContact CD-CD2 3.87Å; K9-W342 HydrophobicContact CD-CE3 3.78Å; K9-W342 HydrophobicContact CD-CH2 4.2Å; K9-W342 HydrophobicContact CD-CZ2 4.27Å; K9-W342 HydrophobicContact CD-CZ3 3.95Å; K9-W342 VanDerWaalsContact CE-CE2 3.45Å; K9-W342 HydrophobicContact CG-CE3 4.32Å; K9-W342 HydrophobicContact CG-CH2 3.91Å; K9-W342 HydrophobicContact CG-CZ2 4.22Å; K9-W342 HydrophobicContact CG-CZ3 3.96Å; K9-W342 VanDerWaalsContact NZ-CD1 3.32Å; K9-W342 VanDerWaalsContact NZ-CG 3.25Å; L13-W342 HydrophobicContact CD1-CD2 4.43Å; L13-W342 HydrophobicContact CD2-CG 4.4Å; A26-W342 HydrophobicContact CB-CH2 3.9Å; A26-W342 HydrophobicContact CB-CZ2 4.3Å; A26-W342 HydrophobicContact CB-CZ3 4.49Å; L28-W342 HydrophobicContact CB-CZ3 3.85Å; L318-W342 HydrophobicContact CD1-CB 3.56Å; T338-W342 VanDerWaalsContact O-CD1 3.25Å; T338-W342 PolarHBondContact O-N 2.86Å; A339-W342 PolarHBondContact O-N 2.95Å; A339-W342 VanDerWaalsContact O-N 3.14Å; W342-A345 PolarHBondContact O-N 2.84Å; W342-I346 HydrophobicContact CE3-CD1 4.37Å; W342-I346 WeakPolarHBondContact O-CG1 3.31Å; W342-I346 PolarHBondContact O-N 3.18Å
343F95.8Very high94.4Very high13 Ų1332.5 Ų32.56%0.05720%0.199CC..Hα-helixtrans-51.9-58.2174.1178.4-91.5000111.2I304 R306 L318 A339 A345 I346 H347 E471 T472I304-F343 HydrophobicContact CD1-CD2 3.99Å; I304-F343 HydrophobicContact CG1-CD2 3.91Å; I304-F343 HydrophobicContact CG1-CE2 4.14Å; I304-F343 HydrophobicContact CG2-CD2 4.25Å; I304-F343 HydrophobicContact CG2-CE2 3.91Å; I304-F343 HydrophobicContact CG2-CZ 4.47Å; R306-F343 HydrophobicContact CG-CD2 3.78Å; R306-F343 HydrophobicContact CG-CE2 4.14Å; L318-F343 HydrophobicContact CD2-CB 3.72Å; L318-F343 HydrophobicContact CD2-CD2 4.17Å; L318-F343 HydrophobicContact CD2-CG 4.42Å; A339-F343 WeakPolarHBondContact O-CB 3.3Å; A339-F343 PolarHBondContact O-N 3.11Å; F343-A345 VanDerWaalsContact C-N 3.28Å; F343-A345 PolarHBondContact O-N 2.88Å; F343-I346 PolarHBondContact O-N 2.77Å; F343-H347 HydrophobicContact CE1-CB 4.11Å; F343-H347 HydrophobicContact CZ-CB 4.2Å; F343-H347 AromaticContact CZ-CD2 3.73Å; F343-H347 WeakPolarHBondContact O-CB 3.29Å; F343-H347 PolarHBondContact O-N 3.08Å; F343-E471 HydrophobicContact CE2-CB 4.1Å; F343-E471 HydrophobicContact CE2-CG 4.46Å; F343-E471 HydrophobicContact CZ-CB 3.56Å; F343-E471 HydrophobicContact CZ-CG 4.35Å; F343-T472 HydrophobicContact CE1-CG2 3.73Å; F343-T472 HydrophobicContact CZ-CG2 4.14Å
344T95.1Very high94.2Very high81 Ų8134 Ų3450%0.49721%0.207SC..Hα-helixtrans-61-37-176.3-600000112.2S340 T348S340-T344 PolarHBondContact O-N 2.94Å; S340-T344 PolarHBondContact O-OG1 3.08Å; S340-T344 VanDerWaalsContact O-OG1 3.1Å; T344-T348 WeakPolarHBondContact O-CB 3.13Å; T344-T348 PolarHBondContact O-N 3.11Å; T344-T348 PolarHBondContact O-OG1 3.27Å
345A95.9Very high94.1Very high9 Ų930 Ų307%0.07420%0.197CC..Hα-helixtrans-68.2-47178.500000112.2A7 K9 L28 S341 W342 F343 N349A7-A345 HydrophobicContact CB-CB 3.9Å; K9-A345 HydrophobicContact CD-CB 4.22Å; L28-A345 HydrophobicContact CD2-CB 3.57Å; S341-A345 WeakPolarHBondContact O-CB 3.44Å; S341-A345 PolarHBondContact O-N 2.87Å; W342-A345 PolarHBondContact O-N 2.84Å; F343-A345 VanDerWaalsContact C-N 3.28Å; F343-A345 PolarHBondContact O-N 2.88Å; A345-N349 PolarHBondContact O-N 2.79Å; A345-N349 VanDerWaalsContact O-N 3.15Å
346I96.5Very high93.9Very high0 Ų033 Ų330%021%0.209CC..Hα-helixtrans-66.9-46.8179-64.1166.7000110.4L28 L33 L299 I304 L320 W342 F343 T348 N349 I350L28-I346 HydrophobicContact CD1-CG1 4.1Å; L28-I346 HydrophobicContact CD2-CG1 3.93Å; L33-I346 HydrophobicContact CD2-CD1 4.37Å; L299-I346 HydrophobicContact CD2-CG2 4.16Å; I304-I346 HydrophobicContact CB-CG2 4.14Å; I304-I346 HydrophobicContact CD1-CB 3.8Å; I304-I346 HydrophobicContact CD1-CD1 3.8Å; I304-I346 HydrophobicContact CD1-CG1 4.39Å; I304-I346 HydrophobicContact CD1-CG2 3.81Å; I304-I346 HydrophobicContact CG2-CG2 4.13Å; L320-I346 HydrophobicContact CD1-CG2 4.23Å; W342-I346 HydrophobicContact CE3-CD1 4.37Å; W342-I346 WeakPolarHBondContact O-CG1 3.31Å; W342-I346 PolarHBondContact O-N 3.18Å; F343-I346 PolarHBondContact O-N 2.77Å; I346-T348 PolarHBondContact O-N 2.78Å; I346-N349 PolarHBondContact O-N 3.5Å; I346-I350 HydrophobicContact CG2-CD1 3.82Å; I346-I350 HydrophobicContact CG2-CG1 4.46Å; I346-I350 WeakPolarHBondContact O-CG1 3.42Å; I346-I350 PolarHBondContact O-N 2.49Å
347H95.4Very high93.6Very high25 Ų2532.1 Ų32.112%0.11620%0.2CC..Hα-helixtrans-58-46.9177.1-179.5-76.3000111.6I304 F343 N349 I350 A351 D475I304-H347 HydrophobicContact CG2-CB 3.84Å; F343-H347 HydrophobicContact CE1-CB 4.11Å; F343-H347 HydrophobicContact CZ-CB 4.2Å; F343-H347 AromaticContact CZ-CD2 3.73Å; F343-H347 WeakPolarHBondContact O-CB 3.29Å; F343-H347 PolarHBondContact O-N 3.08Å; H347-N349 VanDerWaalsContact C-N 3.33Å; H347-N349 PolarHBondContact O-N 2.96Å; H347-I350 PolarHBondContact O-N 3.07Å; H347-A351 WeakPolarHBondContact O-CB 3.39Å; H347-A351 PolarHBondContact O-N 3.19Å; H347-D475 IonicContact CD2-OD2 3.79Å; H347-D475 IonicContact CE1-OD1 3.11Å; H347-D475 PolarHBondContact CE1-OD1 2.84Å; H347-D475 VanDerWaalsContact CE1-OD1 3.29Å; H347-D475 IonicContact CE1-OD2 2.73Å; H347-D475 PolarHBondContact CE1-OD2 2.93Å; H347-D475 IonicContact NE2-OD1 3.51Å; H347-D475 PolarHBondContact NE2-OD1 3.43Å; H347-D475 IonicContact NE2-OD2 3.14Å; H347-D475 PolarHBondContact NE2-OD2 3.4Å
348T94.1Very high93.4Very high20 Ų2029.7 Ų29.712%0.12318%0.176CC..Hα-helixtrans-57-43.6175.9-68.30000112W4 T344 I346 A352W4-T348 HydrophobicContact CB-CG2 4.47Å; W4-T348 HydrophobicContact CE3-CG2 4.03Å; T344-T348 WeakPolarHBondContact O-CB 3.13Å; T344-T348 PolarHBondContact O-N 3.11Å; T344-T348 PolarHBondContact O-OG1 3.27Å; I346-T348 PolarHBondContact O-N 2.78Å; T348-A352 WeakPolarHBondContact O-CB 3.4Å; T348-A352 PolarHBondContact O-N 2.84Å
349N95.3Very high93.2Very high0 Ų030.6 Ų30.60%019%0.188CC..Hα-helixtrans-70.4-39.9179.9-70.90.3000111.9R6 A7 T29 L299 A345 I346 H347 A352 L353R6-N349 WeakPolarHBondContact CA-OD1 3.37Å; A7-N349 PolarHBondContact N-OD1 3.03Å; A7-N349 PolarHBondContact O-ND2 2.95Å; T29-N349 PolarHBondContact O-ND2 2.91Å; L299-N349 HydrophobicContact CD1-CB 3.84Å; A345-N349 PolarHBondContact O-N 2.79Å; A345-N349 VanDerWaalsContact O-N 3.15Å; I346-N349 PolarHBondContact O-N 3.5Å; H347-N349 VanDerWaalsContact C-N 3.33Å; H347-N349 PolarHBondContact O-N 2.96Å; N349-A352 PolarHBondContact O-N 3.46Å; N349-L353 WeakPolarHBondContact O-CG 3.33Å; N349-L353 PolarHBondContact O-N 3.1Å
350I94.3Very high92.8Very high24 Ų2435.7 Ų35.712%0.12321%0.212CC..Hα-helixtrans-58.4-51.4172.3-68.3168000110.3L299 C302 I304 L320 I346 H347 A352 L353 L354L299-I350 HydrophobicContact CB-CG1 3.96Å; L299-I350 HydrophobicContact CD2-CG1 4.3Å; C302-I350 HydrophobicContact CB-CD1 4.25Å; C302-I350 VanDerWaalsContact O-CG2 3.29Å; C302-I350 WeakPolarHBondContact O-CG2 3.19Å; I304-I350 HydrophobicContact CB-CD1 4.36Å; I304-I350 HydrophobicContact CG2-CD1 4.06Å; L320-I350 HydrophobicContact CD1-CD1 4.16Å; I346-I350 HydrophobicContact CG2-CD1 3.82Å; I346-I350 HydrophobicContact CG2-CG1 4.46Å; I346-I350 WeakPolarHBondContact O-CG1 3.42Å; I346-I350 PolarHBondContact O-N 2.49Å; H347-I350 PolarHBondContact O-N 3.07Å; I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.27Å; I350-L353 WeakPolarHBondContact O-CB 3.16Å; I350-L353 PolarHBondContact O-N 3.35Å; I350-L354 PolarHBondContact O-N 2.8Å
351A92.7Very high92.4Very high15 Ų1533.9 Ų33.912%0.12420%0.198CC..Hα-helixtrans-63.8-32.9-179.700000112.7W4 H347 L353 L354W4-A351 HydrophobicContact CH2-CB 3.52Å; W4-A351 HydrophobicContact CZ2-CB 3.49Å; W4-A351 VanDerWaalsContact CZ2-CB 3.49Å; W4-A351 HydrophobicContact CZ3-CB 4.07Å; H347-A351 WeakPolarHBondContact O-CB 3.39Å; H347-A351 PolarHBondContact O-N 3.19Å; A351-L353 PolarHBondContact O-N 2.87Å; A351-L354 WeakPolarHBondContact O-CB 3.11Å; A351-L354 PolarHBondContact O-N 3.45Å
352A92.6Very high92.1Very high9 Ų932.4 Ų32.47%0.07419%0.185CC..THydrogen-bonded Turntrans-72.4-7.6174.900000114.8W4 R6 T348 N349 I350W4-A352 HydrophobicContact CB-CB 3.72Å; W4-A352 HydrophobicContact CG-CB 3.86Å; R6-A352 HydrophobicContact CG-CB 3.78Å; R6-A352 PolarHBondContact NH2-O 2.89Å; T348-A352 WeakPolarHBondContact O-CB 3.4Å; T348-A352 PolarHBondContact O-N 2.84Å; N349-A352 PolarHBondContact O-N 3.46Å; I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.27Å
353L91.5Very high91.7Very high10 Ų1035 Ų355%0.05221%0.208CC..THydrogen-bonded Turntrans-98.1-14.2171.7-66.5167000112.8E31 L299 K300 N349 I350 A351 Q356 T357E31-L353 HydrophobicContact CB-CD2 4.44Å; E31-L353 HydrophobicContact CG-CD2 4.05Å; L299-L353 HydrophobicContact CB-CD1 3.94Å; K300-L353 HydrophobicContact CB-CD1 4.43Å; N349-L353 WeakPolarHBondContact O-CG 3.33Å; N349-L353 PolarHBondContact O-N 3.1Å; I350-L353 WeakPolarHBondContact O-CB 3.16Å; I350-L353 PolarHBondContact O-N 3.35Å; A351-L353 PolarHBondContact O-N 2.87Å; L353-Q356 PolarHBondContact O-N 3.15Å; L353-T357 PolarHBondContact O-N 3.19Å; L353-T357 VanDerWaalsContact O-N 3.08Å; L353-T357 PolarHBondContact O-OG1 2.95Å
354L91.3Very high91.1Very high34 Ų3439 Ų3918%0.17822%0.224CC..Hα-helixtrans-62.8-45.2-175.4-179.860.3000113.6M301 I350 A351 Q356 T357 L358 I380M301-L354 HydrophobicContact SD-CD1 4.04Å; I350-L354 PolarHBondContact O-N 2.8Å; A351-L354 WeakPolarHBondContact O-CB 3.11Å; A351-L354 PolarHBondContact O-N 3.45Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.44Å; L354-T357 PolarHBondContact O-N 2.83Å; L354-T357 VanDerWaalsContact O-N 3.11Å; L354-L358 HydrophobicContact CD1-CD1 4.33Å; L354-L358 HydrophobicContact CD1-CG 4.14Å; L354-L358 HydrophobicContact CG-CD1 4.11Å; L354-L358 HydrophobicContact CG-CG 4.41Å; L354-L358 PolarHBondContact O-N 3.49Å; L354-I380 HydrophobicContact CD1-CG2 3.61Å; L354-I380 VanDerWaalsContact CD1-O 3.27Å; L354-I380 WeakPolarHBondContact CD1-O 3.31Å; L354-I380 WeakPolarHBondContact CD2-O 3.16Å
355P91.3Very high90.4Very high78 Ų7835.3 Ų35.351%0.50620%0.201SC..Hα-helixtrans-62.9-37.9-180-23.434.9000113.3T357 A359P355-T357 VanDerWaalsContact C-N 3.32Å; P355-A359 PolarHBondContact O-N 2.86Å
356Q88.9Confident89.6Confident113 Ų11337.3 Ų37.353%0.52822%0.222SC..Hα-helixtrans-66.7-37175.6-67.4173.7-38.100111.1R6 L353 L354 H360R6-Q356 VanDerWaalsContact NH2-OE1 3.12Å; L353-Q356 PolarHBondContact O-N 3.15Å; L354-Q356 VanDerWaalsContact C-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.44Å; Q356-H360 WeakPolarHBondContact O-CB 3.39Å; Q356-H360 PolarHBondContact O-N 3.06Å
357T86.3Confident88.3Confident5 Ų541.1 Ų41.13%0.03125%0.254CS..Hα-helixtrans-71-42.7176.8-54.80000112.1K300 M301 L353 L354 P355 A359 H360 V361K300-T357 VanDerWaalsContact CE-OG1 3.29Å; K300-T357 WeakPolarHBondContact CE-OG1 3.49Å; M301-T357 HydrophobicContact CG-CG2 3.69Å; M301-T357 HydrophobicContact SD-CG2 3.88Å; L353-T357 PolarHBondContact O-N 3.19Å; L353-T357 VanDerWaalsContact O-N 3.08Å; L353-T357 PolarHBondContact O-OG1 2.95Å; L354-T357 PolarHBondContact O-N 2.83Å; L354-T357 VanDerWaalsContact O-N 3.11Å; P355-T357 VanDerWaalsContact C-N 3.32Å; T357-A359 VanDerWaalsContact C-N 3.35Å; T357-A359 PolarHBondContact O-N 3.24Å; T357-H360 PolarHBondContact O-N 3.07Å; T357-V361 HydrophobicContact CG2-CG2 4.31Å; T357-V361 WeakPolarHBondContact O-CG2 3.5Å; T357-V361 PolarHBondContact O-N 3.22Å
358L90.4Very high86.6Confident24 Ų2443.8 Ų43.813%0.12628%0.275CS..Hα-helixtrans-57-46.1173.2-78169.7000111.9L354 V361 N362 L377 I380L354-L358 HydrophobicContact CD1-CD1 4.33Å; L354-L358 HydrophobicContact CD1-CG 4.14Å; L354-L358 HydrophobicContact CG-CD1 4.11Å; L354-L358 HydrophobicContact CG-CG 4.41Å; L354-L358 PolarHBondContact O-N 3.49Å; L358-V361 PolarHBondContact O-N 2.86Å; L358-N362 WeakPolarHBondContact O-CB 3.19Å; L358-N362 PolarHBondContact O-N 3.43Å; L358-N362 PolarHBondContact O-ND2 2.89Å; L358-L377 HydrophobicContact CD2-CD2 3.62Å; L358-L377 HydrophobicContact CD2-CG 3.69Å; L358-I380 HydrophobicContact CD2-CB 4.32Å; L358-I380 HydrophobicContact CD2-CG2 3.67Å; L358-I380 HydrophobicContact CG-CG2 4.25Å
359A89.1Confident84.6Confident62 Ų6245.6 Ų45.651%0.51229%0.288SS..Hα-helixtrans-61.8-44.6176.500000112P355 T357 A363P355-A359 PolarHBondContact O-N 2.86Å; T357-A359 VanDerWaalsContact C-N 3.35Å; T357-A359 PolarHBondContact O-N 3.24Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.37Å
360H86.5Confident82.5Confident107 Ų10751.2 Ų51.250%0.49534%0.335SS..Hα-helixtrans-63.5-43.7177.5-179.9-90.5000112.8Q356 T357 A363 Y364Q356-H360 WeakPolarHBondContact O-CB 3.39Å; Q356-H360 PolarHBondContact O-N 3.06Å; T357-H360 PolarHBondContact O-N 3.07Å; H360-A363 PolarHBondContact O-N 3.02Å; H360-Y364 WeakPolarHBondContact O-CB 3.44Å; H360-Y364 PolarHBondContact O-N 2.96Å
361V85.8Confident80.4Confident12 Ų1252.8 Ų52.87%0.07335%0.351CS..Hα-helixtrans-64.8-46.8177.9170.20000111T357 L358 A363 Y364 L365 L377 W421T357-V361 HydrophobicContact CG2-CG2 4.31Å; T357-V361 WeakPolarHBondContact O-CG2 3.5Å; T357-V361 PolarHBondContact O-N 3.22Å; L358-V361 PolarHBondContact O-N 2.86Å; V361-A363 VanDerWaalsContact C-N 3.32Å; V361-A363 PolarHBondContact O-N 3.44Å; V361-Y364 PolarHBondContact O-N 3.5Å; V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.28Å; V361-L365 WeakPolarHBondContact O-CB 3.38Å; V361-L365 WeakPolarHBondContact O-CG 3.32Å; V361-L365 PolarHBondContact O-N 3.29Å; V361-L377 HydrophobicContact CB-CD2 4.22Å; V361-L377 HydrophobicContact CG1-CD2 3.69Å; V361-W421 HydrophobicContact CG1-CH2 4.27Å; V361-W421 HydrophobicContact CG1-CZ2 3.54Å
362N89.7Confident78.4Confident33 Ų3358.1 Ų58.118%0.17639%0.388CS..Hα-helixtrans-60.9-40.5176.8-82-43.3000112.4L358 G366 L377L358-N362 WeakPolarHBondContact O-CB 3.19Å; L358-N362 PolarHBondContact O-N 3.43Å; L358-N362 PolarHBondContact O-ND2 2.89Å; N362-G366 PolarHBondContact O-N 3.22Å; N362-L377 PolarHBondContact ND2-O 2.87Å; N362-L377 WeakPolarHBondContact OD1-CB 3.4Å; N362-L377 PolarHBondContact OD1-N 3.21Å
363A86.8Confident76.7Confident61 Ų6163 Ų6350%0.50442%0.417SS..Hα-helixtrans-63.1-47.7173.600000111.6A359 H360 V361 L365 G366 A367A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.37Å; H360-A363 PolarHBondContact O-N 3.02Å; V361-A363 VanDerWaalsContact C-N 3.32Å; V361-A363 PolarHBondContact O-N 3.44Å; A363-L365 PolarHBondContact O-N 3.3Å; A363-G366 PolarHBondContact O-N 2.96Å; A363-A367 WeakPolarHBondContact O-CB 3.41Å; A363-A367 PolarHBondContact O-N 3.33Å
364Y82.8Confident75.3Confident97 Ų9766 Ų6638%0.3843%0.431SS..Hα-helixtrans-62.5-38.9-179.9174.4-103.4000113.7H360 V361 R418H360-Y364 WeakPolarHBondContact O-CB 3.44Å; H360-Y364 PolarHBondContact O-N 2.96Å; V361-Y364 PolarHBondContact O-N 3.5Å; Y364-R418 HydrophobicContact CE1-CG 3.67Å; Y364-R418 PolarHBondContact O-NE 2.93Å; Y364-R418 PolarHBondContact O-NH2 2.84Å
365L82.1Confident74.3Confident4 Ų466.6 Ų66.62%0.02144%0.436CS..Hα-helixtrans-73.1-38.9175.6-67.7177.6000112V361 A363 H374 R418 W421V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.28Å; V361-L365 WeakPolarHBondContact O-CB 3.38Å; V361-L365 WeakPolarHBondContact O-CG 3.32Å; V361-L365 PolarHBondContact O-N 3.29Å; A363-L365 PolarHBondContact O-N 3.3Å; L365-H374 HydrophobicContact CB-CB 4.21Å; L365-H374 PolarHBondContact O-CD2 3.45Å; L365-H374 VanDerWaalsContact O-CD2 3.24Å; L365-R418 HydrophobicContact CD2-CG 4.39Å; L365-W421 HydrophobicContact CD1-CD2 4.07Å; L365-W421 HydrophobicContact CD1-CE3 4.35Å; L365-W421 HydrophobicContact CD1-CG 4.37Å; L365-W421 HydrophobicContact CD2-CB 4.21Å; L365-W421 HydrophobicContact CD2-CG 3.96Å
366G78.7Confident74.1Confident51 Ų5166.8 Ų66.853%0.52643%0.43SS..Hα-helixtrans-72.9-33.2177.900000114.6N362 A363 S368N362-G366 PolarHBondContact O-N 3.22Å; A363-G366 PolarHBondContact O-N 2.96Å; G366-S368 PolarHBondContact O-N 2.76Å
367A69.6Low74.2Confident80 Ų8061.6 Ų61.666%0.66141%0.406SS*.THydrogen-bonded Turntrans-68.72-166.400000116.7A363A363-A367 WeakPolarHBondContact O-CB 3.41Å; A363-A367 PolarHBondContact O-N 3.33Å
368S59.3Low74.6Confident81 Ų8166.3 Ų66.357%0.56643%0.426SS*.THydrogen-bonded Turntrans-152.759.4172.4-170000112.3G366 R418G366-S368 PolarHBondContact O-N 2.76Å; S368-R418 VanDerWaalsContact CB-NH2 3.32Å; S368-R418 VanDerWaalsContact N-NH2 3.17Å; S368-R418 PolarHBondContact O-NH1 3.16Å; S368-R418 PolarHBondContact OG-NH2 2.71Å
369S51.2Low74.9Confident57 Ų5766.3 Ų66.340%0.39943%0.425SS..  trans-149.7133.7151.3-173.30000110.5A371S369-A371 VanDerWaalsContact CB-O 3.27Å; S369-A371 WeakPolarHBondContact CB-O 3.44Å; S369-A371 PolarHBondContact OG-N 2.75Å; S369-A371 VanDerWaalsContact OG-N 3.15Å; S369-A371 PolarHBondContact OG-O 2.94Å
370A51.7Low75.1Confident119 Ų11963.5 Ų63.598%0.98340%0.402SS*.SBendtrans-76.6-10.6170.300000112.7
371A51Low75.6Confident56 Ų5659 Ų5946%0.46338%0.384SS..SBendtrans-117.3121.3171.700000109.3S369 T373S369-A371 VanDerWaalsContact CB-O 3.27Å; S369-A371 WeakPolarHBondContact CB-O 3.44Å; S369-A371 PolarHBondContact OG-N 2.75Å; S369-A371 VanDerWaalsContact OG-N 3.15Å; S369-A371 PolarHBondContact OG-O 2.94Å; A371-T373 HydrophobicContact CB-CG2 4.48Å; A371-T373 PolarHBondContact O-N 2.88Å; A371-T373 PolarHBondContact O-OG1 3.45Å
372S50.6Low76.1Confident127 Ų12759.7 Ų59.789%0.88839%0.386SS*.  trans-75.467.3-171.659.40000113.2
373T56Low76.4Confident111 Ų11158.5 Ų58.568%0.68138%0.379SS*.  trans-94.1-22.1-178.4520000113.8A371A371-T373 HydrophobicContact CB-CG2 4.48Å; A371-T373 PolarHBondContact O-N 2.88Å; A371-T373 PolarHBondContact O-OG1 3.45Å
374H61.3Low76.7Confident74 Ų7455.7 Ų55.734%0.34336%0.356SS..SBendtrans-72.1138.6174.6-71.1-52.6000111.1L365 H376L365-H374 HydrophobicContact CB-CB 4.21Å; L365-H374 PolarHBondContact O-CD2 3.45Å; L365-H374 VanDerWaalsContact O-CD2 3.24Å; H374-H376 PolarHBondContact O-N 3.25Å
375P70.5Confident77.3Confident46 Ų4651.6 Ų51.630%0.29934%0.34SS..PPolyproline II helixtrans-69.2127.7-176.326.7-33.7000111.7L377 T404P375-L377 PolarHBondContact O-N 3.06Å; P375-T404 HydrophobicContact CB-CG2 3.58Å; P375-T404 HydrophobicContact CG-CG2 4.23Å
376H87.3Confident77.8Confident83 Ų8353.9 Ų53.938%0.38435%0.351SS..PPolyproline II helixtrans-74.1123.2169-179.7110.4000109.9H374 K378 T404 E405H374-H376 PolarHBondContact O-N 3.25Å; H376-K378 WeakPolarHBondContact CD2-CE 3.44Å; H376-K378 PolarHBondContact CD2-NZ 3.39Å; H376-K378 PolarHBondContact NE2-NZ 3.48Å; H376-T404 CarbonylContact O-C 3.49Å; H376-T404 VanDerWaalsContact O-CA 3.31Å; H376-T404 WeakPolarHBondContact O-CA 3.41Å; H376-E405 HydrophobicContact CB-CG 4.21Å; H376-E405 IonicContact CD2-OE1 3.64Å; H376-E405 IonicContact CG-OE1 3.7Å; H376-E405 PolarHBondContact O-N 2.73Å
377L91.8Very high78.3Confident3 Ų353.9 Ų53.92%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-88.7120.4-172.5-172.867.1000111.1L358 V361 N362 P375 H379 I380 A402 W421L358-L377 HydrophobicContact CD2-CD2 3.62Å; L358-L377 HydrophobicContact CD2-CG 3.69Å; V361-L377 HydrophobicContact CB-CD2 4.22Å; V361-L377 HydrophobicContact CG1-CD2 3.69Å; N362-L377 PolarHBondContact ND2-O 2.87Å; N362-L377 WeakPolarHBondContact OD1-CB 3.4Å; N362-L377 PolarHBondContact OD1-N 3.21Å; P375-L377 PolarHBondContact O-N 3.06Å; L377-H379 VanDerWaalsContact CD1-O 3.28Å; L377-H379 WeakPolarHBondContact CD1-O 3.19Å; L377-I380 HydrophobicContact CD1-CB 4.39Å; L377-I380 HydrophobicContact CD2-CB 4.13Å; L377-I380 HydrophobicContact CD2-CD1 4.42Å; L377-I380 HydrophobicContact CD2-CG2 4.18Å; L377-A402 HydrophobicContact CD1-CB 3.7Å; L377-W421 HydrophobicContact CD1-CH2 3.87Å; L377-W421 HydrophobicContact CD1-CZ3 4.19Å; L377-W421 HydrophobicContact CD2-CH2 3.67Å; L377-W421 HydrophobicContact CD2-CZ2 4.1Å; L377-W421 HydrophobicContact CG-CH2 4.38Å
378K94.4Very high79Confident105 Ų10555.4 Ų55.446%0.45733%0.332SS..EExtended strand (participates in β ladder)trans-94.5-34177.5-58.8-60.6179.1-166.40112.7H376 L403 E405H376-K378 WeakPolarHBondContact CD2-CE 3.44Å; H376-K378 PolarHBondContact CD2-NZ 3.39Å; H376-K378 PolarHBondContact NE2-NZ 3.48Å; K378-L403 PolarHBondContact N-O 3.48Å; K378-E405 HydrophobicContact CD-CG 4.46Å; K378-E405 WeakPolarHBondContact CE-OE1 3.28Å; K378-E405 HydrophobicContact CG-CG 4.44Å; K378-E405 IonicContact NZ-OE1 3.46Å; K378-E405 PolarHBondContact NZ-OE1 2.7Å
379H95.8Very high79.9Confident23 Ų2354.7 Ų54.711%0.10632%0.321CS..EExtended strand (participates in β ladder)trans-150.3152.7176.2-157.752.6000111.2L377 A402 L403 W479 A482L377-H379 VanDerWaalsContact CD1-O 3.28Å; L377-H379 WeakPolarHBondContact CD1-O 3.19Å; H379-A402 CarbonylContact O-C 3.59Å; H379-A402 WeakPolarHBondContact O-CA 3.44Å; H379-L403 HydrophobicContact CB-CB 4.11Å; H379-L403 HydrophobicContact CB-CD1 4.1Å; H379-L403 HydrophobicContact CB-CG 4.27Å; H379-L403 PolarHBondContact N-O 3.3Å; H379-L403 PolarHBondContact O-N 3.44Å; H379-W479 AromaticContact CD2-CD2 3.91Å; H379-W479 AromaticContact CD2-CE2 3.9Å; H379-W479 AromaticContact CD2-CE3 3.8Å; H379-W479 AromaticContact CD2-CH2 3.66Å; H379-W479 AromaticContact CD2-CZ2 3.79Å; H379-W479 AromaticContact CD2-CZ3 3.68Å; H379-W479 AromaticContact NE2-CE2 3.85Å; H379-W479 AromaticContact NE2-CZ2 3.98Å; H379-A482 HydrophobicContact CB-CB 4.41Å
380I95.1Very high81.1Confident3 Ų361.1 Ų61.12%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-151.4149.9171.3-168.3176.8000108.7M301 L354 L358 L377 V400 M401 A402 W421M301-I380 HydrophobicContact CE-CD1 4.04Å; M301-I380 HydrophobicContact CE-CG1 4.11Å; M301-I380 HydrophobicContact CE-CG2 4.02Å; M301-I380 HydrophobicContact SD-CG2 4.37Å; L354-I380 HydrophobicContact CD1-CG2 3.61Å; L354-I380 VanDerWaalsContact CD1-O 3.27Å; L354-I380 WeakPolarHBondContact CD1-O 3.31Å; L354-I380 WeakPolarHBondContact CD2-O 3.16Å; L358-I380 HydrophobicContact CD2-CB 4.32Å; L358-I380 HydrophobicContact CD2-CG2 3.67Å; L358-I380 HydrophobicContact CG-CG2 4.25Å; L377-I380 HydrophobicContact CD1-CB 4.39Å; L377-I380 HydrophobicContact CD2-CB 4.13Å; L377-I380 HydrophobicContact CD2-CD1 4.42Å; L377-I380 HydrophobicContact CD2-CG2 4.18Å; I380-V400 HydrophobicContact CD1-CG1 3.9Å; I380-V400 HydrophobicContact CG1-CG1 3.72Å; I380-M401 VanDerWaalsContact CA-O 3.3Å; I380-M401 WeakPolarHBondContact CA-O 3.43Å; I380-M401 WeakPolarHBondContact CG1-O 3.47Å; I380-A402 HydrophobicContact CD1-CB 4.44Å; I380-A402 HydrophobicContact CG1-CB 4.11Å; I380-W421 HydrophobicContact CD1-CH2 3.94Å; I380-W421 HydrophobicContact CD1-CZ2 4.1Å
381G95.4Very high82.2Confident12 Ų1259.5 Ų59.512%0.12434%0.339CS..EExtended strand (participates in β ladder)trans176.1171.9169.200000112V400 M401G381-V400 WeakPolarHBondContact O-CA 3.3Å; G381-M401 PolarHBondContact N-O 2.77Å; G381-M401 PolarHBondContact O-N 2.86Å
382W96.2Very high83.3Confident28 Ų2859.5 Ų59.511%0.10635%0.345CS..EExtended strand (participates in β ladder)trans-79.4143.7172.7-70.998.8000111.1M301 F303 P398 V399 V400 E412 V414M301-W382 PolarHBondContact O-NE1 2.89Å; F303-W382 HydrophobicContact CB-CB 3.57Å; F303-W382 HydrophobicContact CB-CG 3.69Å; F303-W382 HydrophobicContact CD1-CB 3.81Å; F303-W382 AromaticContact CD1-CD1 3.55Å; F303-W382 AromaticContact CD1-CD2 3.25Å; F303-W382 HydrophobicContact CD1-CD2 3.25Å; F303-W382 AromaticContact CD1-CE2 3.49Å; F303-W382 VanDerWaalsContact CD1-CE2 3.49Å; F303-W382 AromaticContact CD1-CE3 3.78Å; F303-W382 HydrophobicContact CD1-CE3 3.78Å; F303-W382 AromaticContact CD1-CG 3.28Å; F303-W382 HydrophobicContact CD1-CG 3.28Å; F303-W382 HydrophobicContact CD1-CZ2 4.16Å; F303-W382 HydrophobicContact CD1-CZ3 4.42Å; F303-W382 AromaticContact CD1-NE1 3.67Å; F303-W382 HydrophobicContact CD2-CB 4.38Å; F303-W382 AromaticContact CE1-CD2 3.54Å; F303-W382 HydrophobicContact CE1-CD2 3.54Å; F303-W382 AromaticContact CE1-CE2 3.82Å; F303-W382 AromaticContact CE1-CE3 3.56Å; F303-W382 HydrophobicContact CE1-CE3 3.56Å; F303-W382 HydrophobicContact CE1-CG 4.05Å; F303-W382 HydrophobicContact CE1-CH2 4.09Å; F303-W382 HydrophobicContact CE1-CZ2 4.07Å; F303-W382 AromaticContact CE1-CZ3 3.85Å; F303-W382 HydrophobicContact CE1-CZ3 3.85Å; F303-W382 HydrophobicContact CG-CB 3.68Å; F303-W382 AromaticContact CG-CD1 4Å; F303-W382 HydrophobicContact CG-CD2 4.09Å; F303-W382 AromaticContact CG-CG 3.67Å; F303-W382 HydrophobicContact CG-CG 3.67Å; F303-W382 HydrophobicContact CZ-CE3 4.32Å; W382-P398 HydrophobicContact CE3-CB 4.07Å; W382-P398 HydrophobicContact CZ3-CB 3.92Å; W382-V399 WeakPolarHBondContact CA-O 3.32Å; W382-V400 HydrophobicContact CD2-CG2 3.53Å; W382-V400 HydrophobicContact CE3-CG2 3.59Å; W382-V400 HydrophobicContact CG-CG2 4.28Å; W382-V400 HydrophobicContact CH2-CG2 3.74Å; W382-V400 HydrophobicContact CZ2-CG2 3.67Å; W382-V400 HydrophobicContact CZ3-CG2 3.68Å; W382-E412 WeakPolarHBondContact CH2-O 3.27Å; W382-V414 HydrophobicContact CZ2-CG2 3.85Å
383L96.3Very high84.6Confident7 Ų762.6 Ų62.64%0.03734%0.337CS..EExtended strand (participates in β ladder)trans-134167.1171.9-64.6175.5000107.7P398 V399 M401 F453 F468 V470 W479L383-P398 WeakPolarHBondContact O-CA 3.23Å; L383-V399 HydrophobicContact CB-CG1 3.99Å; L383-V399 PolarHBondContact N-O 3.49Å; L383-V399 PolarHBondContact O-N 2.9Å; L383-V399 VanDerWaalsContact O-O 3.13Å; L383-M401 HydrophobicContact CD1-CB 3.59Å; L383-M401 HydrophobicContact CD1-CE 3.61Å; L383-M401 HydrophobicContact CD1-CG 4.27Å; L383-M401 HydrophobicContact CD1-SD 3.79Å; L383-M401 HydrophobicContact CG-CB 4.36Å; L383-F453 HydrophobicContact CD1-CE1 4.2Å; L383-F453 HydrophobicContact CD1-CZ 3.71Å; L383-F453 HydrophobicContact CD2-CE1 3.92Å; L383-F453 HydrophobicContact CD2-CZ 4.27Å; L383-F468 HydrophobicContact CB-CB 4.35Å; L383-F468 HydrophobicContact CB-CD1 4.19Å; L383-F468 HydrophobicContact CD1-CB 3.99Å; L383-F468 HydrophobicContact CD1-CD1 3.85Å; L383-F468 HydrophobicContact CD1-CG 3.91Å; L383-V470 HydrophobicContact CD2-CG1 3.42Å; L383-V470 VanDerWaalsContact CD2-CG1 3.42Å; L383-W479 HydrophobicContact CD1-CD2 4.47Å; L383-W479 HydrophobicContact CD1-CZ2 4.44Å; L383-W479 HydrophobicContact CD2-CD2 4.13Å; L383-W479 HydrophobicContact CD2-CG 4.2Å; L383-W479 HydrophobicContact CD2-CZ2 4.25Å; L383-W479 HydrophobicContact CG-CZ2 4.21Å
384A94.7Very high85.8Confident2 Ų263.1 Ų63.12%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-112.3110.8165.400000110L308 F396 R397 F468 R469L308-A384 HydrophobicContact CD1-CB 3.74Å; A384-F396 HydrophobicContact CB-CB 4.01Å; A384-F396 HydrophobicContact CB-CD1 4.36Å; A384-F396 HydrophobicContact CB-CG 4.5Å; A384-F396 WeakPolarHBondContact O-CD1 3.47Å; A384-R397 CarbonylContact C-O 3.58Å; A384-R397 VanDerWaalsContact CA-O 3.23Å; A384-R397 WeakPolarHBondContact CA-O 3.18Å; A384-F468 CarbonylContact O-C 3.57Å; A384-F468 WeakPolarHBondContact O-CA 3.23Å; A384-R469 HydrophobicContact CB-CB 4.21Å; A384-R469 PolarHBondContact N-O 3.33Å; A384-R469 VanDerWaalsContact N-O 3.08Å; A384-R469 PolarHBondContact O-N 3.23Å
385E94.6Very high87Confident11 Ų1164.2 Ų64.25%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-79.9133179.2-179.9-177.7-130.400110.9I387 F396 R397 V399 H466 F468E385-I387 PolarHBondContact O-N 3.4Å; E385-F396 CarbonylContact O-C 3.5Å; E385-F396 VanDerWaalsContact O-CA 3.32Å; E385-F396 WeakPolarHBondContact O-CA 3.43Å; E385-R397 HydrophobicContact CB-CG 4.24Å; E385-R397 PolarHBondContact N-O 2.74Å; E385-R397 PolarHBondContact O-N 3.08Å; E385-R397 IonicContact OE2-CZ 3.39Å; E385-R397 IonicContact OE2-NE 2.64Å; E385-R397 PolarHBondContact OE2-NE 2.91Å; E385-R397 IonicContact OE2-NH2 3.24Å; E385-R397 PolarHBondContact OE2-NH2 3.05Å; E385-V399 HydrophobicContact CB-CB 4.44Å; E385-V399 HydrophobicContact CB-CG1 3.91Å; E385-H466 IonicContact OE1-CE1 2.64Å; E385-H466 IonicContact OE1-CG 3.46Å; E385-H466 IonicContact OE1-ND1 3.18Å; E385-H466 PolarHBondContact OE1-ND1 3.07Å; E385-F468 HydrophobicContact CB-CD1 4.02Å; E385-F468 HydrophobicContact CB-CE1 4.01Å; E385-F468 HydrophobicContact CG-CD1 4.37Å; E385-F468 HydrophobicContact CG-CE1 4.04Å
386Q92.6Very high88Confident53 Ų5363.9 Ų63.925%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-76111.2174.1-162.7-168.3-61.900110.5Q394 Q395 F396 V467Q386-Q394 HydrophobicContact CG-CB 4.34Å; Q386-Q395 CarbonylContact C-O 3.6Å; Q386-Q395 WeakPolarHBondContact CA-O 3.47Å; Q386-F396 HydrophobicContact CB-CD1 3.95Å; Q386-F396 HydrophobicContact CB-CE1 3.59Å; Q386-F396 HydrophobicContact CB-CZ 4.3Å; Q386-F396 HydrophobicContact CG-CD1 4.41Å; Q386-F396 HydrophobicContact CG-CE1 3.97Å; Q386-F396 HydrophobicContact CG-CZ 4.21Å; Q386-V467 HydrophobicContact CB-CB 3.9Å; Q386-V467 HydrophobicContact CB-CG1 4.48Å; Q386-V467 PolarHBondContact N-O 3.39Å
387I89.4Confident88.1Confident51 Ų5163.2 Ų63.226%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-96.9145.617055.1168.9000111.1E385 L389 Q395 R397E385-I387 PolarHBondContact O-N 3.4Å; I387-L389 HydrophobicContact CD1-CD2 4.04Å; I387-Q395 HydrophobicContact CD1-CB 4.47Å; I387-Q395 HydrophobicContact CG1-CB 4.13Å; I387-Q395 VanDerWaalsContact CG1-O 3.26Å; I387-Q395 WeakPolarHBondContact CG1-O 3.44Å; I387-Q395 PolarHBondContact N-O 3.05Å; I387-Q395 PolarHBondContact O-N 3.31Å; I387-R397 HydrophobicContact CD1-CB 4.34Å; I387-R397 HydrophobicContact CG2-CG 3.97Å
388Q83.3Confident88.2Confident112 Ų11265 Ų6552%0.52334%0.337SS..EExtended strand (participates in β ladder)trans-101.2107.6178.4-172.26175.600108.7G392 R393Q388-G392 PolarHBondContact NE2-O 3.48Å; Q388-R393 PolarHBondContact NE2-O 2.99Å
389L79.8Confident88.2Confident66 Ų6660 Ų6035%0.34632%0.315SS..  trans-79.1160.3178.6-56.7176.4000111.4I387 G392 R393 Q395I387-L389 HydrophobicContact CD1-CD2 4.04Å; L389-G392 PolarHBondContact O-N 2.57Å; L389-R393 HydrophobicContact CB-CB 4.33Å; L389-R393 WeakPolarHBondContact CB-O 3.38Å; L389-R393 HydrophobicContact CD1-CB 4.31Å; L389-R393 PolarHBondContact N-O 3.2Å; L389-Q395 HydrophobicContact CD1-CB 3.96Å; L389-Q395 HydrophobicContact CG-CB 4.26Å
390E76.3Confident88.3Confident192 Ų19259 Ų5990%0.89731%0.31SS*.G310 helixtrans-54.3145.1167.3-62.3-167.8151.800111.3G392E390-G392 VanDerWaalsContact C-N 3.27Å; E390-G392 PolarHBondContact O-N 3.37Å
391G73.6Confident88.4Confident84 Ų8458.9 Ų58.987%0.86631%0.31SS*.G310 helixtrans73.313.4-172.300000114.8R393G391-R393 VanDerWaalsContact C-N 3.32Å; G391-R393 PolarHBondContact O-N 2.93Å
392G75.3Confident88.5Confident56 Ų5658.3 Ų58.358%0.57730%0.304SS*.G310 helixtrans80.25.4169.400000115.4Q388 L389 E390Q388-G392 PolarHBondContact NE2-O 3.48Å; L389-G392 PolarHBondContact O-N 2.57Å; E390-G392 VanDerWaalsContact C-N 3.27Å; E390-G392 PolarHBondContact O-N 3.37Å
393R77.5Confident88.5Confident192 Ų19257.1 Ų57.173%0.72530%0.3SS*.  trans-74.3142.5175.5-64.8-177.4179-170.2-0111.2Q388 L389 G391Q388-R393 PolarHBondContact NE2-O 2.99Å; L389-R393 HydrophobicContact CB-CB 4.33Å; L389-R393 WeakPolarHBondContact CB-O 3.38Å; L389-R393 HydrophobicContact CD1-CB 4.31Å; L389-R393 PolarHBondContact N-O 3.2Å; G391-R393 VanDerWaalsContact C-N 3.32Å; G391-R393 PolarHBondContact O-N 2.93Å
394Q81.5Confident88.4Confident122 Ų12257 Ų5757%0.5730%0.299SS*.EExtended strand (participates in β ladder)trans-104138.5175.3-69.3170.6-1000109.2Q386Q386-Q394 HydrophobicContact CG-CB 4.34Å
395Q86.6Confident88.3Confident97 Ų9759.9 Ų59.945%0.45331%0.312SS..EExtended strand (participates in β ladder)trans-135.6151.5174.4179.2173.49.100108.5Q386 I387 L389Q386-Q395 CarbonylContact C-O 3.6Å; Q386-Q395 WeakPolarHBondContact CA-O 3.47Å; I387-Q395 HydrophobicContact CD1-CB 4.47Å; I387-Q395 HydrophobicContact CG1-CB 4.13Å; I387-Q395 VanDerWaalsContact CG1-O 3.26Å; I387-Q395 WeakPolarHBondContact CG1-O 3.44Å; I387-Q395 PolarHBondContact N-O 3.05Å; I387-Q395 PolarHBondContact O-N 3.31Å; L389-Q395 HydrophobicContact CD1-CB 3.96Å; L389-Q395 HydrophobicContact CG-CB 4.26Å
396F90.1Very high88.3Confident40 Ų4064.3 Ų64.318%0.17533%0.332CS..EExtended strand (participates in β ladder)trans-98.4132.8170.1-72.1-76000110.2L308 A384 E385 Q386 V452 R469L308-F396 HydrophobicContact CD1-CB 3.68Å; A384-F396 HydrophobicContact CB-CB 4.01Å; A384-F396 HydrophobicContact CB-CD1 4.36Å; A384-F396 HydrophobicContact CB-CG 4.5Å; A384-F396 WeakPolarHBondContact O-CD1 3.47Å; E385-F396 CarbonylContact O-C 3.5Å; E385-F396 VanDerWaalsContact O-CA 3.32Å; E385-F396 WeakPolarHBondContact O-CA 3.43Å; Q386-F396 HydrophobicContact CB-CD1 3.95Å; Q386-F396 HydrophobicContact CB-CE1 3.59Å; Q386-F396 HydrophobicContact CB-CZ 4.3Å; Q386-F396 HydrophobicContact CG-CD1 4.41Å; Q386-F396 HydrophobicContact CG-CE1 3.97Å; Q386-F396 HydrophobicContact CG-CZ 4.21Å; F396-V452 HydrophobicContact CZ-CG1 4.3Å; F396-R469 HydrophobicContact CD1-CB 3.77Å; F396-R469 HydrophobicContact CE1-CB 3.52Å; F396-R469 HydrophobicContact CG-CB 4.4Å; F396-R469 HydrophobicContact CZ-CB 3.97Å
397R90.6Very high88.5Confident69 Ų6964 Ų6426%0.2633%0.331SS..EExtended strand (participates in β ladder)trans-112.3145.8170.172.7172.4-175.3140.80.8110.1A384 E385 I387A384-R397 CarbonylContact C-O 3.58Å; A384-R397 VanDerWaalsContact CA-O 3.23Å; A384-R397 WeakPolarHBondContact CA-O 3.18Å; E385-R397 HydrophobicContact CB-CG 4.24Å; E385-R397 PolarHBondContact N-O 2.74Å; E385-R397 PolarHBondContact O-N 3.08Å; E385-R397 IonicContact OE2-CZ 3.39Å; E385-R397 IonicContact OE2-NE 2.64Å; E385-R397 PolarHBondContact OE2-NE 2.91Å; E385-R397 IonicContact OE2-NH2 3.24Å; E385-R397 PolarHBondContact OE2-NH2 3.05Å; I387-R397 HydrophobicContact CD1-CB 4.34Å; I387-R397 HydrophobicContact CG2-CG 3.97Å
398P92.4Very high88.9Confident41 Ų4161.6 Ų61.627%0.26632%0.319SS..EExtended strand (participates in β ladder)trans-67.4145172.630.9-35.6000111.2F303 W382 L383F303-P398 HydrophobicContact CE1-CB 4Å; F303-P398 HydrophobicContact CE2-CB 4.13Å; F303-P398 HydrophobicContact CZ-CB 3.4Å; F303-P398 HydrophobicContact CZ-CG 4.18Å; W382-P398 HydrophobicContact CE3-CB 4.07Å; W382-P398 HydrophobicContact CZ3-CB 3.92Å; L383-P398 WeakPolarHBondContact O-CA 3.23Å
399V95.8Very high89.5Confident0 Ų056.9 Ų56.90%030%0.297CS..EExtended strand (participates in β ladder)trans-148.8143.8174.371.50000109.6W382 L383 E385 L410 F411 F468W382-V399 WeakPolarHBondContact CA-O 3.32Å; L383-V399 HydrophobicContact CB-CG1 3.99Å; L383-V399 PolarHBondContact N-O 3.49Å; L383-V399 PolarHBondContact O-N 2.9Å; L383-V399 VanDerWaalsContact O-O 3.13Å; E385-V399 HydrophobicContact CB-CB 4.44Å; E385-V399 HydrophobicContact CB-CG1 3.91Å; V399-L410 HydrophobicContact CG2-CB 4.11Å; V399-L410 HydrophobicContact CG2-CD2 4.3Å; V399-F411 VanDerWaalsContact CG2-O 3.27Å; V399-F411 WeakPolarHBondContact CG2-O 3.43Å; V399-F468 HydrophobicContact CG1-CD1 4.18Å; V399-F468 HydrophobicContact CG1-CE1 4.12Å
400V96.6Very high90.3Very high0 Ų053.8 Ų53.80%028%0.281CS..EExtended strand (participates in β ladder)trans-90.5119.3168178.90000108.3I380 G381 W382 L410 F411 V414I380-V400 HydrophobicContact CD1-CG1 3.9Å; I380-V400 HydrophobicContact CG1-CG1 3.72Å; G381-V400 WeakPolarHBondContact O-CA 3.3Å; W382-V400 HydrophobicContact CD2-CG2 3.53Å; W382-V400 HydrophobicContact CE3-CG2 3.59Å; W382-V400 HydrophobicContact CG-CG2 4.28Å; W382-V400 HydrophobicContact CH2-CG2 3.74Å; W382-V400 HydrophobicContact CZ2-CG2 3.67Å; W382-V400 HydrophobicContact CZ3-CG2 3.68Å; V400-L410 CarbonylContact O-C 3.59Å; V400-L410 WeakPolarHBondContact O-CA 3.44Å; V400-F411 HydrophobicContact CB-CB 4.27Å; V400-F411 PolarHBondContact N-O 2.82Å; V400-F411 PolarHBondContact O-N 3.33Å; V400-V414 HydrophobicContact CG2-CG2 3.72Å
401M97.8Very high91.2Very high1 Ų145 Ų451%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-96.9140.3167.7-177.5-177.9-72.700109.7I380 G381 L383 L403 I408 L409 L410 F453 F468 W479I380-M401 VanDerWaalsContact CA-O 3.3Å; I380-M401 WeakPolarHBondContact CA-O 3.43Å; I380-M401 WeakPolarHBondContact CG1-O 3.47Å; G381-M401 PolarHBondContact N-O 2.77Å; G381-M401 PolarHBondContact O-N 2.86Å; L383-M401 HydrophobicContact CD1-CB 3.59Å; L383-M401 HydrophobicContact CD1-CE 3.61Å; L383-M401 HydrophobicContact CD1-CG 4.27Å; L383-M401 HydrophobicContact CD1-SD 3.79Å; L383-M401 HydrophobicContact CG-CB 4.36Å; M401-L403 HydrophobicContact CG-CD2 4.27Å; M401-L403 HydrophobicContact SD-CD2 4.05Å; M401-I408 HydrophobicContact CE-CG2 4.12Å; M401-I408 HydrophobicContact CG-CG2 3.72Å; M401-I408 HydrophobicContact SD-CG2 3.91Å; M401-L409 WeakPolarHBondContact CA-O 3.27Å; M401-L410 HydrophobicContact CB-CD2 3.74Å; M401-L410 HydrophobicContact CE-CD2 3.82Å; M401-L410 HydrophobicContact CG-CD2 3.82Å; M401-F453 HydrophobicContact CE-CE2 4.36Å; M401-F453 HydrophobicContact CE-CZ 4.31Å; M401-F453 HydrophobicContact SD-CZ 4.45Å; M401-F468 HydrophobicContact CE-CD1 4.18Å; M401-F468 HydrophobicContact CE-CD2 3.85Å; M401-F468 HydrophobicContact CE-CE1 3.84Å; M401-F468 HydrophobicContact CE-CE2 3.45Å; M401-F468 VanDerWaalsContact CE-CE2 3.45Å; M401-F468 HydrophobicContact CE-CG 4.19Å; M401-F468 HydrophobicContact CE-CZ 3.45Å; M401-F468 VanDerWaalsContact CE-CZ 3.45Å; M401-W479 HydrophobicContact CB-CH2 3.7Å; M401-W479 HydrophobicContact CB-CZ3 3.9Å; M401-W479 HydrophobicContact CG-CH2 3.95Å; M401-W479 HydrophobicContact CG-CZ3 3.64Å; M401-W479 WeakPolarHBondContact O-CH2 3.42Å; M401-W479 HydrophobicContact SD-CE3 3.8Å; M401-W479 HydrophobicContact SD-CH2 4.22Å; M401-W479 HydrophobicContact SD-CZ3 3.41Å; M401-W479 WeakPolarHBondContact SD-CZ3 3.31Å
402A96.6Very high92Very high0 Ų046.6 Ų46.60%023%0.225CC..EExtended strand (participates in β ladder)trans-128.8127.9174.200000109.8L377 H379 I380 L409 F411 W421L377-A402 HydrophobicContact CD1-CB 3.7Å; H379-A402 CarbonylContact O-C 3.59Å; H379-A402 WeakPolarHBondContact O-CA 3.44Å; I380-A402 HydrophobicContact CD1-CB 4.44Å; I380-A402 HydrophobicContact CG1-CB 4.11Å; A402-L409 HydrophobicContact CB-CB 4.26Å; A402-L409 PolarHBondContact N-O 2.66Å; A402-L409 PolarHBondContact O-N 2.91Å; A402-F411 HydrophobicContact CB-CE2 4.02Å; A402-W421 HydrophobicContact CB-CH2 4.13Å; A402-W421 HydrophobicContact CB-CZ3 4.13Å
403L96.9Very high92.6Very high4 Ų446.2 Ų46.22%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-104.2118.8176.5-56.9-177.9000109.5K378 H379 M401 I408 W479 A482 L483K378-L403 PolarHBondContact N-O 3.48Å; H379-L403 HydrophobicContact CB-CB 4.11Å; H379-L403 HydrophobicContact CB-CD1 4.1Å; H379-L403 HydrophobicContact CB-CG 4.27Å; H379-L403 PolarHBondContact N-O 3.3Å; H379-L403 PolarHBondContact O-N 3.44Å; M401-L403 HydrophobicContact CG-CD2 4.27Å; M401-L403 HydrophobicContact SD-CD2 4.05Å; L403-I408 HydrophobicContact CD2-CB 4.2Å; L403-I408 HydrophobicContact CD2-CD1 4.31Å; L403-I408 HydrophobicContact CD2-CG1 3.78Å; L403-I408 HydrophobicContact CD2-CG2 3.93Å; L403-W479 HydrophobicContact CD1-CE3 4.18Å; L403-W479 HydrophobicContact CD1-CZ3 3.99Å; L403-W479 HydrophobicContact CD2-CZ3 4.44Å; L403-W479 HydrophobicContact CG-CZ3 3.92Å; L403-A482 HydrophobicContact CD1-CB 3.73Å; L403-L483 HydrophobicContact CD1-CD2 4.11Å; L403-L483 HydrophobicContact CD1-CG 4.18Å; L403-L483 HydrophobicContact CD2-CD2 3.65Å
404T95.1Very high93.1Very high4 Ų437.4 Ų37.43%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-99.2-167.8178.373.40000110.5P375 H376 K406 D407 L409P375-T404 HydrophobicContact CB-CG2 3.58Å; P375-T404 HydrophobicContact CG-CG2 4.23Å; H376-T404 CarbonylContact O-C 3.49Å; H376-T404 VanDerWaalsContact O-CA 3.31Å; H376-T404 WeakPolarHBondContact O-CA 3.41Å; T404-K406 VanDerWaalsContact C-N 3.28Å; T404-K406 PolarHBondContact OG1-N 2.84Å; T404-D407 WeakPolarHBondContact CB-O 2.91Å; T404-D407 PolarHBondContact N-O 2.92Å; T404-D407 WeakPolarHBondContact OG1-CA 3.48Å; T404-D407 PolarHBondContact OG1-N 2.88Å; T404-D407 PolarHBondContact OG1-O 3.32Å; T404-L409 HydrophobicContact CG2-CD1 3.82Å; T404-L409 HydrophobicContact CG2-CG 4.06Å
405E92.8Very high93.3Very high62 Ų6231.8 Ų31.829%0.2916%0.155SC..SBendtrans-74.5-13.5172.1-73.9-177.7157.100114.7H376 K378 A490 I493H376-E405 HydrophobicContact CB-CG 4.21Å; H376-E405 IonicContact CD2-OE1 3.64Å; H376-E405 IonicContact CG-OE1 3.7Å; H376-E405 PolarHBondContact O-N 2.73Å; K378-E405 HydrophobicContact CD-CG 4.46Å; K378-E405 WeakPolarHBondContact CE-OE1 3.28Å; K378-E405 HydrophobicContact CG-CG 4.44Å; K378-E405 IonicContact NZ-OE1 3.46Å; K378-E405 PolarHBondContact NZ-OE1 2.7Å; E405-A490 WeakPolarHBondContact O-CB 3.3Å; E405-I493 HydrophobicContact CB-CD1 4.12Å; E405-I493 HydrophobicContact CG-CD1 4.26Å
406K94.2Very high93.1Very high105 Ų10531.9 Ų31.946%0.45715%0.152SC..SBendtrans-137.7-28.8-172-62.8-176.9-176.6174.80114T404 L430 I494T404-K406 VanDerWaalsContact C-N 3.28Å; T404-K406 PolarHBondContact OG1-N 2.84Å; K406-L430 VanDerWaalsContact O-CB 3.31Å; K406-L430 WeakPolarHBondContact O-CB 3.42Å; K406-L430 PolarHBondContact O-N 3.21Å; K406-I494 HydrophobicContact CB-CD1 4.36Å; K406-I494 HydrophobicContact CD-CG1 4.4Å; K406-I494 HydrophobicContact CG-CD1 4.12Å; K406-I494 HydrophobicContact CG-CG1 4.27Å
407D96.1Very high92.7Very high45 Ų4532.3 Ų32.324%0.24116%0.159CC..EExtended strand (participates in β ladder)trans-136.9148.6-168.2-52.6-76.1000112.6T404 L409 T427 H428 P429T404-D407 WeakPolarHBondContact CB-O 2.91Å; T404-D407 PolarHBondContact N-O 2.92Å; T404-D407 WeakPolarHBondContact OG1-CA 3.48Å; T404-D407 PolarHBondContact OG1-N 2.88Å; T404-D407 PolarHBondContact OG1-O 3.32Å; D407-L409 HydrophobicContact CB-CD2 4.13Å; D407-T427 HydrophobicContact CB-CG2 4.12Å; D407-H428 WeakPolarHBondContact CA-O 3.43Å; D407-P429 WeakPolarHBondContact OD1-CA 3.29Å
408I97.5Very high92.1Very high2 Ų231.9 Ų31.91%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-88.1129.8160.3-48.9-177000107.4M401 L403 T427 H428 L430 T433 L483M401-I408 HydrophobicContact CE-CG2 4.12Å; M401-I408 HydrophobicContact CG-CG2 3.72Å; M401-I408 HydrophobicContact SD-CG2 3.91Å; L403-I408 HydrophobicContact CD2-CB 4.2Å; L403-I408 HydrophobicContact CD2-CD1 4.31Å; L403-I408 HydrophobicContact CD2-CG1 3.78Å; L403-I408 HydrophobicContact CD2-CG2 3.93Å; I408-T427 WeakPolarHBondContact O-CA 3.3Å; I408-H428 HydrophobicContact CB-CB 4.33Å; I408-H428 PolarHBondContact N-O 2.71Å; I408-H428 PolarHBondContact O-N 3.36Å; I408-L430 HydrophobicContact CD1-CD2 4.17Å; I408-L430 HydrophobicContact CG1-CD2 3.6Å; I408-L430 HydrophobicContact CG1-CG 4.32Å; I408-T433 HydrophobicContact CD1-CG2 3.77Å; I408-L483 HydrophobicContact CD1-CD2 3.56Å; I408-L483 HydrophobicContact CG1-CD2 4.31Å
409L96.8Very high91.6Very high12 Ų1236.6 Ų36.66%0.06318%0.176CC..EExtended strand (participates in β ladder)trans-115.6138.4173.8-48.6178.1000109.2M401 A402 T404 D407 F411 W421 P424 L426 T427M401-L409 WeakPolarHBondContact CA-O 3.27Å; A402-L409 HydrophobicContact CB-CB 4.26Å; A402-L409 PolarHBondContact N-O 2.66Å; A402-L409 PolarHBondContact O-N 2.91Å; T404-L409 HydrophobicContact CG2-CD1 3.82Å; T404-L409 HydrophobicContact CG2-CG 4.06Å; D407-L409 HydrophobicContact CB-CD2 4.13Å; L409-F411 HydrophobicContact CB-CE2 3.64Å; L409-F411 HydrophobicContact CB-CZ 3.94Å; L409-F411 HydrophobicContact CD1-CE2 4.32Å; L409-F411 HydrophobicContact CD1-CZ 4.05Å; L409-W421 HydrophobicContact CD1-CE3 4.49Å; L409-W421 HydrophobicContact CD1-CZ3 4.34Å; L409-P424 HydrophobicContact CB-CB 4.21Å; L409-P424 HydrophobicContact CD2-CG 4.34Å; L409-L426 WeakPolarHBondContact CA-O 3.33Å; L409-T427 HydrophobicContact CD2-CG2 3.75Å; L409-T427 WeakPolarHBondContact CD2-OG1 3.33Å
410L96.7Very high91Very high2 Ų238.2 Ų38.21%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-115.7135.4174-61.5-179.3000110.6V399 V400 M401 P424 L425 L426 F468V399-L410 HydrophobicContact CG2-CB 4.11Å; V399-L410 HydrophobicContact CG2-CD2 4.3Å; V400-L410 CarbonylContact O-C 3.59Å; V400-L410 WeakPolarHBondContact O-CA 3.44Å; M401-L410 HydrophobicContact CB-CD2 3.74Å; M401-L410 HydrophobicContact CE-CD2 3.82Å; M401-L410 HydrophobicContact CG-CD2 3.82Å; L410-P424 CarbonylContact O-C 3.55Å; L410-L425 PolarHBondContact O-N 2.89Å; L410-L426 HydrophobicContact CB-CB 4.29Å; L410-L426 HydrophobicContact CD1-CB 4.23Å; L410-L426 HydrophobicContact CD1-CD1 4.12Å; L410-L426 HydrophobicContact CG-CB 4.49Å; L410-L426 PolarHBondContact N-O 3.06Å; L410-F468 HydrophobicContact CD1-CE1 4.36Å; L410-F468 HydrophobicContact CD1-CZ 4.15Å; L410-F468 HydrophobicContact CD2-CE1 4.3Å; L410-F468 HydrophobicContact CD2-CZ 4.37Å
411F94.1Very high90.5Very high7 Ų739 Ų393%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-131.7149.9177.4-52.4-93000110.7V399 V400 A402 L409 S413 P415 S420 W421 P424V399-F411 VanDerWaalsContact CG2-O 3.27Å; V399-F411 WeakPolarHBondContact CG2-O 3.43Å; V400-F411 HydrophobicContact CB-CB 4.27Å; V400-F411 PolarHBondContact N-O 2.82Å; V400-F411 PolarHBondContact O-N 3.33Å; A402-F411 HydrophobicContact CB-CE2 4.02Å; L409-F411 HydrophobicContact CB-CE2 3.64Å; L409-F411 HydrophobicContact CB-CZ 3.94Å; L409-F411 HydrophobicContact CD1-CE2 4.32Å; L409-F411 HydrophobicContact CD1-CZ 4.05Å; F411-S413 WeakPolarHBondContact CB-O 3.48Å; F411-P415 HydrophobicContact CD1-CB 4.28Å; F411-P415 HydrophobicContact CD1-CG 4.15Å; F411-P415 HydrophobicContact CD2-CG 4.02Å; F411-P415 HydrophobicContact CE1-CB 4.27Å; F411-P415 HydrophobicContact CE1-CG 4.14Å; F411-P415 HydrophobicContact CE2-CG 3.99Å; F411-P415 HydrophobicContact CG-CG 4.1Å; F411-P415 HydrophobicContact CZ-CG 4.05Å; F411-S420 VanDerWaalsContact CE1-O 3.27Å; F411-S420 WeakPolarHBondContact CE1-O 3.28Å; F411-W421 HydrophobicContact CE2-CE3 4.34Å; F411-W421 HydrophobicContact CE2-CZ3 4.04Å; F411-W421 AromaticContact CZ-CE3 3.92Å; F411-W421 HydrophobicContact CZ-CE3 3.92Å; F411-W421 HydrophobicContact CZ-CZ3 4.09Å; F411-P424 HydrophobicContact CD1-CB 4.11Å; F411-P424 VanDerWaalsContact CE1-CA 3.49Å; F411-P424 HydrophobicContact CE1-CB 3.65Å; F411-P424 HydrophobicContact CZ-CB 3.92Å
412E90Very high90Very high117 Ų11743.1 Ų43.155%0.54722%0.219SC..SBendtrans-74.2-30175.3-178.2168.4-14500112.6W382 L425W382-E412 WeakPolarHBondContact CH2-O 3.27Å; E412-L425 HydrophobicContact CB-CD1 4.07Å; E412-L425 HydrophobicContact CB-CD2 4.14Å
413S89.3Confident89.5Confident49 Ų4949.5 Ų49.534%0.34325%0.251SS..SBendtrans-137.4168.9177.758.50000110.5D324 F411 P415D324-S413 WeakPolarHBondContact O-CB 3.5Å; F411-S413 WeakPolarHBondContact CB-O 3.48Å; S413-P415 VanDerWaalsContact O-CD 3.27Å; S413-P415 WeakPolarHBondContact O-CD 3.26Å
414V88.4Confident89.4Confident7 Ų750.9 Ų50.94%0.04226%0.26CS..  trans-71.5119.4-179.4178.50000109.6M301 P323 W382 V400 W416M301-V414 HydrophobicContact CB-CG1 4.18Å; M301-V414 HydrophobicContact CB-CG2 4.02Å; M301-V414 HydrophobicContact CE-CG1 4.11Å; M301-V414 HydrophobicContact CE-CG2 4Å; M301-V414 HydrophobicContact CG-CG1 4.25Å; P323-V414 HydrophobicContact CB-CB 4.24Å; P323-V414 HydrophobicContact CB-CG2 4.04Å; P323-V414 VanDerWaalsContact O-CB 3.26Å; P323-V414 WeakPolarHBondContact O-CB 3.39Å; P323-V414 VanDerWaalsContact O-CG2 3.27Å; P323-V414 WeakPolarHBondContact O-CG2 3.46Å; P323-V414 PolarHBondContact O-N 2.78Å; W382-V414 HydrophobicContact CZ2-CG2 3.85Å; V400-V414 HydrophobicContact CG2-CG2 3.72Å; V414-W416 HydrophobicContact CB-CZ2 4.15Å; V414-W416 HydrophobicContact CG1-CD2 4.23Å; V414-W416 HydrophobicContact CG1-CH2 4.13Å; V414-W416 HydrophobicContact CG1-CZ2 3.64Å; V414-W416 PolarHBondContact O-N 2.79Å; V414-W416 PolarHBondContact O-NE1 2.86Å
415P85.6Confident89.2Confident4 Ų454.5 Ų54.53%0.02628%0.279CS..  trans-71.8112.8-178.627.6-35.1000111.6F411 S413 S420 W421F411-P415 HydrophobicContact CD1-CB 4.28Å; F411-P415 HydrophobicContact CD1-CG 4.15Å; F411-P415 HydrophobicContact CD2-CG 4.02Å; F411-P415 HydrophobicContact CE1-CB 4.27Å; F411-P415 HydrophobicContact CE1-CG 4.14Å; F411-P415 HydrophobicContact CE2-CG 3.99Å; F411-P415 HydrophobicContact CG-CG 4.1Å; F411-P415 HydrophobicContact CZ-CG 4.05Å; S413-P415 VanDerWaalsContact O-CD 3.27Å; S413-P415 WeakPolarHBondContact O-CD 3.26Å; P415-S420 VanDerWaalsContact CA-OG 3.27Å; P415-S420 WeakPolarHBondContact CA-OG 3.3Å; P415-S420 VanDerWaalsContact CB-OG 3.28Å; P415-S420 WeakPolarHBondContact CB-OG 3.44Å; P415-W421 HydrophobicContact CB-CD2 4.11Å; P415-W421 HydrophobicContact CB-CG 4.03Å; P415-W421 HydrophobicContact CG-CD2 3.83Å; P415-W421 VanDerWaalsContact CG-CE2 3.45Å; P415-W421 HydrophobicContact CG-CE3 4.28Å; P415-W421 HydrophobicContact CG-CG 4.28Å; P415-W421 HydrophobicContact CG-CH2 4.06Å; P415-W421 HydrophobicContact CG-CZ2 3.58Å; P415-W421 HydrophobicContact CG-CZ3 4.39Å; P415-W421 PolarHBondContact O-NE1 3.31Å
416W81.5Confident89.3Confident99 Ų9954 Ų5438%0.37528%0.278SS..  trans-100.8-17.6-179.8-62.7108.3000114M301 P323 V414 S420M301-W416 HydrophobicContact CB-CH2 4.07Å; M301-W416 HydrophobicContact CB-CZ2 4.06Å; M301-W416 HydrophobicContact CG-CH2 3.95Å; M301-W416 HydrophobicContact CG-CZ2 4.39Å; P323-W416 HydrophobicContact CB-CZ2 3.74Å; P323-W416 HydrophobicContact CG-CZ2 4.36Å; V414-W416 HydrophobicContact CB-CZ2 4.15Å; V414-W416 HydrophobicContact CG1-CD2 4.23Å; V414-W416 HydrophobicContact CG1-CH2 4.13Å; V414-W416 HydrophobicContact CG1-CZ2 3.64Å; V414-W416 PolarHBondContact O-N 2.79Å; V414-W416 PolarHBondContact O-NE1 2.86Å; W416-S420 PolarHBondContact N-OG 2.96Å
417S81.3Confident89.4Confident48 Ų4852.3 Ų52.334%0.33628%0.276SS..SBendtrans-112.3155.1177.877.60000111.7E419 S420 W421S417-E419 PolarHBondContact O-N 2.84Å; S417-S420 PolarHBondContact N-OG 2.79Å; S417-S420 PolarHBondContact O-N 3.39Å; S417-S420 VanDerWaalsContact O-N 3.15Å; S417-S420 PolarHBondContact O-OG 2.75Å; S417-S420 PolarHBondContact OG-N 3.15Å; S417-S420 VanDerWaalsContact OG-N 3.07Å; S417-S420 PolarHBondContact OG-OG 2.67Å; S417-W421 PolarHBondContact O-N 3.46Å
418R79.3Confident89.4Confident61 Ų6150.5 Ų50.523%0.2327%0.266CS..Hα-helixtrans-59.6-33.9175.4-69.9-172.1174.6-167.85.2113.4Y364 L365 S368 W421 S422Y364-R418 HydrophobicContact CE1-CG 3.67Å; Y364-R418 PolarHBondContact O-NE 2.93Å; Y364-R418 PolarHBondContact O-NH2 2.84Å; L365-R418 HydrophobicContact CD2-CG 4.39Å; S368-R418 VanDerWaalsContact CB-NH2 3.32Å; S368-R418 VanDerWaalsContact N-NH2 3.17Å; S368-R418 PolarHBondContact O-NH1 3.16Å; S368-R418 PolarHBondContact OG-NH2 2.71Å; R418-W421 PolarHBondContact O-N 3.12Å; R418-S422 PolarHBondContact O-N 3.16Å; R418-S422 VanDerWaalsContact O-N 3.11Å
419E82.2Confident89.4Confident139 Ų13953.2 Ų53.265%0.6529%0.285SS*.Hα-helixtrans-61.8-50173.4-177.3175.2-146.900110.9S417 W421 S422 M423S417-E419 PolarHBondContact O-N 2.84Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 2.65Å; E419-S422 WeakPolarHBondContact O-CA 3.27Å; E419-S422 PolarHBondContact O-N 3.09Å; E419-S422 PolarHBondContact O-OG 3.14Å; E419-M423 HydrophobicContact CG-SD 4.49Å; E419-M423 PolarHBondContact O-N 3.46Å
420S83.2Confident89.4Confident35 Ų3552.7 Ų52.725%0.24528%0.282CS..Hα-helixtrans-60.4-36.4175.364.10000112.7F411 P415 W416 S417 S422 M423F411-S420 VanDerWaalsContact CE1-O 3.27Å; F411-S420 WeakPolarHBondContact CE1-O 3.28Å; P415-S420 VanDerWaalsContact CA-OG 3.27Å; P415-S420 WeakPolarHBondContact CA-OG 3.3Å; P415-S420 VanDerWaalsContact CB-OG 3.28Å; P415-S420 WeakPolarHBondContact CB-OG 3.44Å; W416-S420 PolarHBondContact N-OG 2.96Å; S417-S420 PolarHBondContact N-OG 2.79Å; S417-S420 PolarHBondContact O-N 3.39Å; S417-S420 VanDerWaalsContact O-N 3.15Å; S417-S420 PolarHBondContact O-OG 2.75Å; S417-S420 PolarHBondContact OG-N 3.15Å; S417-S420 VanDerWaalsContact OG-N 3.07Å; S417-S420 PolarHBondContact OG-OG 2.67Å; S420-S422 PolarHBondContact O-N 3.42Å; S420-M423 PolarHBondContact O-N 2.91Å
421W85.4Confident89.4Confident17 Ų1752.9 Ų52.96%0.06428%0.283CS..Hα-helixtrans-66-22.3172.4-86.599000114.3V361 L365 L377 I380 A402 L409 F411 P415 S417 R418 E419V361-W421 HydrophobicContact CG1-CH2 4.27Å; V361-W421 HydrophobicContact CG1-CZ2 3.54Å; L365-W421 HydrophobicContact CD1-CD2 4.07Å; L365-W421 HydrophobicContact CD1-CE3 4.35Å; L365-W421 HydrophobicContact CD1-CG 4.37Å; L365-W421 HydrophobicContact CD2-CB 4.21Å; L365-W421 HydrophobicContact CD2-CG 3.96Å; L377-W421 HydrophobicContact CD1-CH2 3.87Å; L377-W421 HydrophobicContact CD1-CZ3 4.19Å; L377-W421 HydrophobicContact CD2-CH2 3.67Å; L377-W421 HydrophobicContact CD2-CZ2 4.1Å; L377-W421 HydrophobicContact CG-CH2 4.38Å; I380-W421 HydrophobicContact CD1-CH2 3.94Å; I380-W421 HydrophobicContact CD1-CZ2 4.1Å; A402-W421 HydrophobicContact CB-CH2 4.13Å; A402-W421 HydrophobicContact CB-CZ3 4.13Å; L409-W421 HydrophobicContact CD1-CE3 4.49Å; L409-W421 HydrophobicContact CD1-CZ3 4.34Å; F411-W421 HydrophobicContact CE2-CE3 4.34Å; F411-W421 HydrophobicContact CE2-CZ3 4.04Å; F411-W421 AromaticContact CZ-CE3 3.92Å; F411-W421 HydrophobicContact CZ-CE3 3.92Å; F411-W421 HydrophobicContact CZ-CZ3 4.09Å; P415-W421 HydrophobicContact CB-CD2 4.11Å; P415-W421 HydrophobicContact CB-CG 4.03Å; P415-W421 HydrophobicContact CG-CD2 3.83Å; P415-W421 VanDerWaalsContact CG-CE2 3.45Å; P415-W421 HydrophobicContact CG-CE3 4.28Å; P415-W421 HydrophobicContact CG-CG 4.28Å; P415-W421 HydrophobicContact CG-CH2 4.06Å; P415-W421 HydrophobicContact CG-CZ2 3.58Å; P415-W421 HydrophobicContact CG-CZ3 4.39Å; P415-W421 PolarHBondContact O-NE1 3.31Å; S417-W421 PolarHBondContact O-N 3.46Å; R418-W421 PolarHBondContact O-N 3.12Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 2.65Å
422S86.1Confident89.6Confident86 Ų8652.9 Ų52.960%0.60128%0.284SS*.Hα-helixtrans-89.6-6.7175.369.50000114R418 E419 S420 P424R418-S422 PolarHBondContact O-N 3.16Å; R418-S422 VanDerWaalsContact O-N 3.11Å; E419-S422 WeakPolarHBondContact O-CA 3.27Å; E419-S422 PolarHBondContact O-N 3.09Å; E419-S422 PolarHBondContact O-OG 3.14Å; S420-S422 PolarHBondContact O-N 3.42Å; S422-P424 WeakPolarHBondContact O-CD 3.21Å
423M87.4Confident89.9Confident134 Ų13447.5 Ų47.566%0.6626%0.259SS*.  trans-12562.5-176.9-62.2-175.270.400112.7E419 S420E419-M423 HydrophobicContact CG-SD 4.49Å; E419-M423 PolarHBondContact O-N 3.46Å; S420-M423 PolarHBondContact O-N 2.91Å
424P93.6Very high90.2Very high34 Ų3449.8 Ų49.822%0.22126%0.26CS..  trans-65.9152.516831.3-35.6000111.4L409 L410 F411 S422 T427L409-P424 HydrophobicContact CB-CB 4.21Å; L409-P424 HydrophobicContact CD2-CG 4.34Å; L410-P424 CarbonylContact O-C 3.55Å; F411-P424 HydrophobicContact CD1-CB 4.11Å; F411-P424 VanDerWaalsContact CE1-CA 3.49Å; F411-P424 HydrophobicContact CE1-CB 3.65Å; F411-P424 HydrophobicContact CZ-CB 3.92Å; S422-P424 WeakPolarHBondContact O-CD 3.21Å; P424-T427 VanDerWaalsContact CG-OG1 3.25Å; P424-T427 WeakPolarHBondContact CG-OG1 3.47Å
425L92.3Very high90.5Very high80 Ų8052 Ų5242%0.41927%0.272SS..SBendtrans-66.6-39.4171.2-88.365.8000111.1L410 E412L410-L425 PolarHBondContact O-N 2.89Å; E412-L425 HydrophobicContact CB-CD1 4.07Å; E412-L425 HydrophobicContact CB-CD2 4.14Å
426L94.3Very high90.5Very high50 Ų5055.9 Ų55.926%0.26230%0.295SS..EExtended strand (participates in β ladder)trans-143.5143.5177.8-69.9173.7000110.6L409 L410L409-L426 WeakPolarHBondContact CA-O 3.33Å; L410-L426 HydrophobicContact CB-CB 4.29Å; L410-L426 HydrophobicContact CD1-CB 4.23Å; L410-L426 HydrophobicContact CD1-CD1 4.12Å; L410-L426 HydrophobicContact CG-CB 4.49Å; L410-L426 PolarHBondContact N-O 3.06Å
427T95.9Very high90.4Very high70 Ų7055.1 Ų55.143%0.42930%0.296SS..EExtended strand (participates in β ladder)trans-126.6119174.4-63.80000108.6D407 I408 L409 P424D407-T427 HydrophobicContact CB-CG2 4.12Å; I408-T427 WeakPolarHBondContact O-CA 3.3Å; L409-T427 HydrophobicContact CD2-CG2 3.75Å; L409-T427 WeakPolarHBondContact CD2-OG1 3.33Å; P424-T427 VanDerWaalsContact CG-OG1 3.25Å; P424-T427 WeakPolarHBondContact CG-OG1 3.47Å
428H96.8Very high90.3Very high7 Ų755.7 Ų55.73%0.03230%0.299CS..EExtended strand (participates in β ladder)trans-122116179.7-64.3154.9000110.7D407 I408 L430 T457 E464 H466D407-H428 WeakPolarHBondContact CA-O 3.43Å; I408-H428 HydrophobicContact CB-CB 4.33Å; I408-H428 PolarHBondContact N-O 2.71Å; I408-H428 PolarHBondContact O-N 3.36Å; H428-L430 PolarHBondContact O-N 2.65Å; H428-T457 HydrophobicContact CB-CG2 3.79Å; H428-T457 PolarHBondContact ND1-OG1 3.06Å; H428-E464 IonicContact CD2-OE2 2.65Å; H428-E464 IonicContact CE1-OE2 2.67Å; H428-E464 IonicContact NE2-OE1 2.75Å; H428-E464 IonicContact NE2-OE2 3.85Å; H428-E464 PolarHBondContact NE2-OE2 3.04Å; H428-H466 AromaticContact CE1-CD2 3.82Å; H428-H466 AromaticContact CE1-NE2 3.36Å; H428-H466 PolarHBondContact CE1-NE2 3.17Å
429P96.8Very high90.1Very high60 Ų6053.7 Ų53.739%0.3930%0.298SS..EExtended strand (participates in β ladder)trans-61.4130.4177.5-24.134.2000111.4D407 L431 A432 T433D407-P429 WeakPolarHBondContact OD1-CA 3.29Å; P429-L431 VanDerWaalsContact C-N 3.29Å; P429-L431 PolarHBondContact O-N 2.89Å; P429-A432 HydrophobicContact CB-CB 4.17Å; P429-A432 CarbonylContact O-C 3.56Å; P429-A432 WeakPolarHBondContact O-CA 3.17Å; P429-A432 PolarHBondContact O-N 3.06Å; P429-T433 WeakPolarHBondContact O-CB 3.49Å; P429-T433 PolarHBondContact O-N 3.16Å; P429-T433 VanDerWaalsContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 2.76Å
430L97.4Very high89.4Confident1 Ų148.3 Ų48.31%0.00528%0.275CS..G310 helixtrans-55.7-43.9-177.5-76.2167.1000111.3K406 I408 H428 A432 T433 V487 A490K406-L430 VanDerWaalsContact O-CB 3.31Å; K406-L430 WeakPolarHBondContact O-CB 3.42Å; K406-L430 PolarHBondContact O-N 3.21Å; I408-L430 HydrophobicContact CD1-CD2 4.17Å; I408-L430 HydrophobicContact CG1-CD2 3.6Å; I408-L430 HydrophobicContact CG1-CG 4.32Å; H428-L430 PolarHBondContact O-N 2.65Å; L430-A432 VanDerWaalsContact C-N 3.26Å; L430-A432 PolarHBondContact O-N 3.19Å; L430-T433 PolarHBondContact O-N 2.87Å; L430-V487 HydrophobicContact CB-CG2 4.16Å; L430-V487 HydrophobicContact CD2-CG2 4.15Å; L430-V487 WeakPolarHBondContact O-CG2 3.29Å; L430-A490 HydrophobicContact CB-CB 3.99Å; L430-A490 HydrophobicContact CD1-CB 4.12Å
431L97.3Very high88.2Confident6 Ų649.7 Ų49.73%0.03129%0.289CS..G310 helixtrans-63.1-31177.8-64-175.7000113.7P429 T433 A490 A491 I494 V497 F576 V577 S580 F581P429-L431 VanDerWaalsContact C-N 3.29Å; P429-L431 PolarHBondContact O-N 2.89Å; L431-T433 VanDerWaalsContact C-N 3.3Å; L431-A490 HydrophobicContact CD2-CB 4.23Å; L431-A490 HydrophobicContact CG-CB 4.39Å; L431-A491 HydrophobicContact CD2-CB 3.85Å; L431-I494 HydrophobicContact CD1-CB 4Å; L431-I494 HydrophobicContact CD1-CD1 3.6Å; L431-I494 HydrophobicContact CD1-CG1 4.39Å; L431-I494 HydrophobicContact CD1-CG2 3.89Å; L431-I494 HydrophobicContact CG-CD1 3.97Å; L431-V497 HydrophobicContact CD1-CG2 4.03Å; L431-F576 CarbonylContact O-C 3.24Å; L431-F576 VanDerWaalsContact O-C 3.23Å; L431-V577 HydrophobicContact CB-CG2 3.87Å; L431-V577 WeakPolarHBondContact O-CA 3.22Å; L431-V577 PolarHBondContact O-N 3.41Å; L431-S580 WeakPolarHBondContact O-CB 3.45Å; L431-S580 PolarHBondContact O-OG 2.88Å; L431-F581 HydrophobicContact CD1-CE1 3.69Å; L431-F581 HydrophobicContact CD1-CZ 3.96Å; L431-F581 HydrophobicContact CD2-CD1 4.44Å; L431-F581 HydrophobicContact CD2-CE1 4.28Å
432A97.3Very high86.7Confident7 Ų758.3 Ų58.36%0.05832%0.321CS..G310 helixtrans-87.73.4176.400000112.8P429 L430 T457 G458 P573 F576P429-A432 HydrophobicContact CB-CB 4.17Å; P429-A432 CarbonylContact O-C 3.56Å; P429-A432 WeakPolarHBondContact O-CA 3.17Å; P429-A432 PolarHBondContact O-N 3.06Å; L430-A432 VanDerWaalsContact C-N 3.26Å; L430-A432 PolarHBondContact O-N 3.19Å; A432-T457 WeakPolarHBondContact O-CA 3.36Å; A432-G458 PolarHBondContact O-N 3.09Å; A432-P573 HydrophobicContact CB-CB 4.49Å; A432-F576 WeakPolarHBondContact O-CD2 3.43Å
433T97.4Very high84.8Confident4 Ų457.8 Ų57.83%0.02533%0.33CS..EExtended strand (participates in β ladder)trans-119.9137.8-174.2-51.50000111.5I408 P429 L430 L431 T455 R456 T457I408-T433 HydrophobicContact CD1-CG2 3.77Å; P429-T433 WeakPolarHBondContact O-CB 3.49Å; P429-T433 PolarHBondContact O-N 3.16Å; P429-T433 VanDerWaalsContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 2.76Å; L430-T433 PolarHBondContact O-N 2.87Å; L431-T433 VanDerWaalsContact C-N 3.3Å; T433-T455 HydrophobicContact CG2-CG2 4.45Å; T433-R456 CarbonylContact C-O 3.59Å; T433-R456 WeakPolarHBondContact CA-O 3.43Å; T433-T457 PolarHBondContact OG1-OG1 3.12Å
434R94.6Very high82.5Confident96 Ų9655.9 Ų55.936%0.36233%0.33SS..EExtended strand (participates in β ladder)trans-128.7133.7178.1-62.5-172.374.1178.94.1111.7V436 T455 R456 F576 H579R434-V436 HydrophobicContact CB-CG1 4.41Å; R434-T455 CarbonylContact O-C 3.59Å; R434-T455 WeakPolarHBondContact O-CA 3.42Å; R434-R456 PolarHBondContact N-O 2.9Å; R434-R456 PolarHBondContact O-N 3.23Å; R434-F576 HydrophobicContact CB-CD2 4.27Å; R434-F576 HydrophobicContact CB-CE2 4.24Å; R434-F576 HydrophobicContact CG-CD2 3.69Å; R434-F576 HydrophobicContact CG-CE2 4.09Å; R434-F576 HydrophobicContact CG-CG 4.36Å; R434-H579 PolarHBondContact NH1-CD2 3.25Å; R434-H579 PolarHBondContact NH1-ND1 3.44Å
435L94.3Very high80.1Confident55 Ų5559.8 Ų59.829%0.28836%0.355SS..EExtended strand (participates in β ladder)trans-68.3130.3160.9179.367.8000108.6H437 F453 T480 L483 V484L435-H437 WeakPolarHBondContact CD1-O 3.07Å; L435-F453 HydrophobicContact CD1-CB 3.97Å; L435-F453 HydrophobicContact CD1-CD2 4.03Å; L435-F453 HydrophobicContact CD1-CG 4.41Å; L435-T480 HydrophobicContact CD1-CG2 4.13Å; L435-T480 HydrophobicContact CD2-CG2 3.94Å; L435-L483 HydrophobicContact CD1-CD1 4.45Å; L435-V484 HydrophobicContact CD2-CG2 3.99Å
436V85.8Confident77.7Confident84 Ų8459 Ų5951%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-128-20.7-177.2-59.70000115.1R434 A454 R456R434-V436 HydrophobicContact CB-CG1 4.41Å; V436-A454 HydrophobicContact CG2-CB 3.95Å; V436-A454 PolarHBondContact N-O 3.47Å; V436-R456 HydrophobicContact CB-CG 4.4Å; V436-R456 HydrophobicContact CG1-CB 4.31Å; V436-R456 HydrophobicContact CG1-CG 3.81Å; V436-R456 HydrophobicContact CG2-CG 3.69Å
437H80.1Confident75.4Confident84 Ų8466.4 Ų66.439%0.38939%0.389SS..EExtended strand (participates in β ladder)trans-141.4147.5174.7-177.984.4000109.2L435 F453 A454L435-H437 WeakPolarHBondContact CD1-O 3.07Å; H437-F453 CarbonylContact O-C 3.42Å; H437-F453 WeakPolarHBondContact O-CA 3.25Å; H437-F453 WeakPolarHBondContact O-CB 3.48Å; H437-A454 HydrophobicContact CB-CB 3.98Å; H437-A454 PolarHBondContact O-N 3.34Å
438S78.4Confident73.4Confident59 Ų5966.9 Ų66.941%0.41341%0.408SS..EExtended strand (participates in β ladder)trans-158.9114.6174.1161.90000108.2V452S438-V452 CarbonylContact C-O 3.23Å; S438-V452 WeakPolarHBondContact CA-O 3.25Å
439G76.3Confident72Confident19 Ų1967.8 Ų67.820%0.19642%0.415CS..EExtended strand (participates in β ladder)trans159.3-156.4178.700000113.3V452G439-V452 PolarHBondContact N-O 2.84Å; G439-V452 PolarHBondContact O-N 2.94Å
440S67.2Low71.2Confident26 Ų2667.6 Ų67.618%0.18241%0.41CS..EExtended strand (participates in β ladder)trans-75134.2167.7164.70000109.9R442 S449 D450S440-R442 VanDerWaalsContact CB-O 3.32Å; S440-R442 WeakPolarHBondContact CB-O 3.43Å; S440-R442 PolarHBondContact O-N 2.86Å; S440-R442 PolarHBondContact OG-N 3.5Å; S440-R442 VanDerWaalsContact OG-N 3.16Å; S440-R442 PolarHBondContact OG-O 3.13Å; S440-S449 WeakPolarHBondContact OG-CB 3.32Å; S440-S449 PolarHBondContact OG-OG 3.11Å; S440-S449 VanDerWaalsContact OG-OG 3.09Å; S440-D450 WeakPolarHBondContact CA-O 3.27Å
441A57.9Low70.9Confident64 Ų6468.5 Ų68.553%0.52942%0.415SS..SBendtrans-59.4-15.9174.100000114D450 V452A441-D450 PolarHBondContact N-O 3.36Å; A441-D450 VanDerWaalsContact N-O 3.12Å; A441-V452 HydrophobicContact CB-CG2 3.81Å
442R53.7Low70.7Confident198 Ų19868.4 Ų68.475%0.74742%0.415SS*.SBendtrans-121.1131.6171.9-60.9-176.1-176.1-170.71.8109.4S440S440-R442 VanDerWaalsContact CB-O 3.32Å; S440-R442 WeakPolarHBondContact CB-O 3.43Å; S440-R442 PolarHBondContact O-N 2.86Å; S440-R442 PolarHBondContact OG-N 3.5Å; S440-R442 VanDerWaalsContact OG-N 3.16Å; S440-R442 PolarHBondContact OG-O 3.13Å
443G47.1Very low70.6Confident75 Ų7568.1 Ų68.177%0.77341%0.412SS*.SBendtrans-56.4140.7-178.800000112.5
444S38.4Very low70.6Confident95 Ų9568.5 Ų68.566%0.66442%0.416SS*.SBendtrans69.8132.7-164.277.20000115.1S446S444-S446 PolarHBondContact O-N 3.24Å
445P42.8Very low70.7Confident115 Ų11564 Ų6475%0.74740%0.399SS*.  trans-73.3109.1-17929.6-33.4000110.4
446S42.7Very low70.8Confident63 Ų6366 Ų6644%0.44140%0.403SS..  trans-105146.9171.940.10000109.6S444 G448 S449S444-S446 PolarHBondContact O-N 3.24Å; S446-G448 PolarHBondContact O-N 2.95Å; S446-G448 VanDerWaalsContact O-N 3.13Å; S446-S449 PolarHBondContact O-N 3.08Å; S446-S449 PolarHBondContact O-OG 3.06Å
447H44.7Very low71.3Confident206 Ų20662.1 Ų62.195%0.95438%0.379SS*.THydrogen-bonded Turntrans-65.3116.8176-76.559.3000108.7
448G54.3Low72.1Confident80 Ų8058.3 Ų58.383%0.82536%0.363SS*.THydrogen-bonded Turntrans98.49-176.100000115.8S446S446-G448 PolarHBondContact O-N 2.95Å; S446-G448 VanDerWaalsContact O-N 3.13Å
449S66.8Low72.8Confident26 Ų2657.4 Ų57.418%0.18236%0.355CS..  trans-81.1130.9168.161.70000111.9S440 S446 L451S440-S449 WeakPolarHBondContact OG-CB 3.32Å; S440-S449 PolarHBondContact OG-OG 3.11Å; S440-S449 VanDerWaalsContact OG-OG 3.09Å; S446-S449 PolarHBondContact O-N 3.08Å; S446-S449 PolarHBondContact O-OG 3.06Å; S449-L451 PolarHBondContact O-N 3.46Å
450D81.3Confident73.4Confident56 Ų5658.6 Ų58.630%0.29937%0.367SS..  trans-59129.6178.6-65-57.9000112.4S440 A441 V452 R469S440-D450 WeakPolarHBondContact CA-O 3.27Å; A441-D450 PolarHBondContact N-O 3.36Å; A441-D450 VanDerWaalsContact N-O 3.12Å; D450-V452 HydrophobicContact CB-CG1 4.19Å; D450-V452 PolarHBondContact O-N 2.81Å; D450-R469 IonicContact OD1-CZ 2.8Å; D450-R469 IonicContact OD1-NE 2.64Å; D450-R469 PolarHBondContact OD1-NE 3.44Å; D450-R469 IonicContact OD1-NH2 3.18Å; D450-R469 PolarHBondContact OD1-NH2 2.68Å
451L91.1Very high74.5Confident20 Ų2069.2 Ų69.211%0.10540%0.403CS..EExtended strand (participates in β ladder)trans-83.3111.6172.9-58.8-179.8000108.2S449 R469 V470 T472 H473S449-L451 PolarHBondContact O-N 3.46Å; L451-R469 WeakPolarHBondContact O-CA 3.43Å; L451-V470 HydrophobicContact CB-CG2 3.91Å; L451-V470 WeakPolarHBondContact O-CG2 3.33Å; L451-V470 PolarHBondContact O-N 3.1Å; L451-T472 VanDerWaalsContact CD1-C 3.4Å; L451-H473 HydrophobicContact CD1-CB 4.47Å; L451-H473 VanDerWaalsContact CD1-N 3.33Å; L451-H473 WeakPolarHBondContact CD2-CE1 3.47Å
452V93.2Very high76Confident5 Ų566.8 Ų66.83%0.0338%0.384CS..EExtended strand (participates in β ladder)trans-127.8148.1-173.5-69.20000112.1F396 S438 G439 A441 D450 V467 F468 R469F396-V452 HydrophobicContact CZ-CG1 4.3Å; S438-V452 CarbonylContact C-O 3.23Å; S438-V452 WeakPolarHBondContact CA-O 3.25Å; G439-V452 PolarHBondContact N-O 2.84Å; G439-V452 PolarHBondContact O-N 2.94Å; A441-V452 HydrophobicContact CB-CG2 3.81Å; D450-V452 HydrophobicContact CB-CG1 4.19Å; D450-V452 PolarHBondContact O-N 2.81Å; V452-V467 HydrophobicContact CB-CG1 3.9Å; V452-V467 HydrophobicContact CG1-CG1 4.03Å; V452-V467 HydrophobicContact CG2-CG1 4.48Å; V452-F468 CarbonylContact C-O 3.58Å; V452-F468 VanDerWaalsContact CA-O 3.25Å; V452-F468 WeakPolarHBondContact CA-O 3.37Å; V452-R469 HydrophobicContact CG1-CB 4.13Å
453F95.6Very high78Confident0 Ų060 Ų600%036%0.362CS..EExtended strand (participates in β ladder)trans-124.8157.6159.670.9-92.9000110.5L383 M401 L435 H437 T455 F468 V470 L476 W479 T480 L483L383-F453 HydrophobicContact CD1-CE1 4.2Å; L383-F453 HydrophobicContact CD1-CZ 3.71Å; L383-F453 HydrophobicContact CD2-CE1 3.92Å; L383-F453 HydrophobicContact CD2-CZ 4.27Å; M401-F453 HydrophobicContact CE-CE2 4.36Å; M401-F453 HydrophobicContact CE-CZ 4.31Å; M401-F453 HydrophobicContact SD-CZ 4.45Å; L435-F453 HydrophobicContact CD1-CB 3.97Å; L435-F453 HydrophobicContact CD1-CD2 4.03Å; L435-F453 HydrophobicContact CD1-CG 4.41Å; H437-F453 CarbonylContact O-C 3.42Å; H437-F453 WeakPolarHBondContact O-CA 3.25Å; H437-F453 WeakPolarHBondContact O-CB 3.48Å; F453-T455 HydrophobicContact CD2-CG2 4.44Å; F453-T455 HydrophobicContact CE2-CG2 4.2Å; F453-F468 HydrophobicContact CD1-CB 4.24Å; F453-F468 HydrophobicContact CD2-CB 4.47Å; F453-F468 HydrophobicContact CD2-CD2 4.08Å; F453-F468 HydrophobicContact CE1-CB 3.82Å; F453-F468 HydrophobicContact CE2-CB 4.06Å; F453-F468 AromaticContact CE2-CD2 3.5Å; F453-F468 HydrophobicContact CE2-CD2 3.5Å; F453-F468 HydrophobicContact CE2-CE2 4.32Å; F453-F468 HydrophobicContact CE2-CG 4.1Å; F453-F468 HydrophobicContact CZ-CB 3.73Å; F453-F468 AromaticContact CZ-CD2 3.91Å; F453-F468 HydrophobicContact CZ-CD2 3.91Å; F453-F468 HydrophobicContact CZ-CG 4.04Å; F453-F468 PolarHBondContact N-O 3.42Å; F453-F468 PolarHBondContact O-N 2.84Å; F453-V470 HydrophobicContact CD1-CG1 4.32Å; F453-V470 HydrophobicContact CE1-CG1 4Å; F453-L476 HydrophobicContact CB-CD1 3.94Å; F453-L476 HydrophobicContact CD1-CD1 4.12Å; F453-W479 HydrophobicContact CD1-CB 4.31Å; F453-W479 HydrophobicContact CE1-CB 3.69Å; F453-W479 AromaticContact CE1-CG 3.98Å; F453-W479 HydrophobicContact CE1-CG 3.98Å; F453-W479 HydrophobicContact CZ-CB 4.06Å; F453-W479 HydrophobicContact CZ-CD2 4.47Å; F453-W479 HydrophobicContact CZ-CE3 4.49Å; F453-W479 HydrophobicContact CZ-CG 4.29Å; F453-T480 HydrophobicContact CB-CG2 3.96Å; F453-T480 HydrophobicContact CG-CG2 4.34Å; F453-L483 HydrophobicContact CD2-CD1 3.91Å; F453-L483 HydrophobicContact CE2-CD1 3.5Å; F453-L483 HydrophobicContact CZ-CD1 4.16Å
454A95.7Very high80.2Confident12 Ų1259.6 Ų59.610%0.09934%0.34CS..EExtended strand (participates in β ladder)trans-128.9131.818000000112V436 H437 H466 V467V436-A454 HydrophobicContact CG2-CB 3.95Å; V436-A454 PolarHBondContact N-O 3.47Å; H437-A454 HydrophobicContact CB-CB 3.98Å; H437-A454 PolarHBondContact O-N 3.34Å; A454-H466 CarbonylContact C-O 3.33Å; A454-H466 WeakPolarHBondContact CA-O 3.4Å; A454-V467 HydrophobicContact CB-CG2 4.09Å
455T96.9Very high82.9Confident2 Ų258.1 Ų58.11%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-100.3151.9169.8640000110.3T433 R434 F453 S465 H466 F468 L483T433-T455 HydrophobicContact CG2-CG2 4.45Å; R434-T455 CarbonylContact O-C 3.59Å; R434-T455 WeakPolarHBondContact O-CA 3.42Å; F453-T455 HydrophobicContact CD2-CG2 4.44Å; F453-T455 HydrophobicContact CE2-CG2 4.2Å; T455-S465 WeakPolarHBondContact O-CA 3.21Å; T455-H466 PolarHBondContact N-O 2.88Å; T455-H466 PolarHBondContact O-N 2.97Å; T455-F468 HydrophobicContact CG2-CE2 4.11Å; T455-L483 HydrophobicContact CG2-CD1 4.34Å
456R96.8Very high85.3Confident97 Ų9753.6 Ų53.637%0.36630%0.299SS..EExtended strand (participates in β ladder)trans-131.1131.1166.9-56.7-170.175.5-165.70.4108.9T433 R434 V436 I463 E464 S465 F576T433-R456 CarbonylContact C-O 3.59Å; T433-R456 WeakPolarHBondContact CA-O 3.43Å; R434-R456 PolarHBondContact N-O 2.9Å; R434-R456 PolarHBondContact O-N 3.23Å; V436-R456 HydrophobicContact CB-CG 4.4Å; V436-R456 HydrophobicContact CG1-CB 4.31Å; V436-R456 HydrophobicContact CG1-CG 3.81Å; V436-R456 HydrophobicContact CG2-CG 3.69Å; R456-I463 HydrophobicContact CB-CG2 3.81Å; R456-E464 CarbonylContact C-O 3.47Å; R456-E464 VanDerWaalsContact CA-O 3.27Å; R456-E464 WeakPolarHBondContact CA-O 3.07Å; R456-S465 WeakPolarHBondContact CG-OG 3.05Å; R456-S465 PolarHBondContact NE-OG 3.48Å; R456-F576 HydrophobicContact CB-CE2 4.06Å; R456-F576 HydrophobicContact CB-CZ 4.48Å; R456-F576 WeakPolarHBondContact O-CE2 3.36Å
457T97.3Very high87.8Confident2 Ų252.4 Ų52.41%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-115.6123-177.8-52.20000109.1H428 A432 T433 T459 I463 E464H428-T457 HydrophobicContact CB-CG2 3.79Å; H428-T457 PolarHBondContact ND1-OG1 3.06Å; A432-T457 WeakPolarHBondContact O-CA 3.36Å; T433-T457 PolarHBondContact OG1-OG1 3.12Å; T457-T459 HydrophobicContact CG2-CG2 4.27Å; T457-T459 PolarHBondContact O-N 3.16Å; T457-I463 CarbonylContact O-C 3.58Å; T457-I463 WeakPolarHBondContact O-CA 3.4Å; T457-E464 PolarHBondContact N-O 3.34Å; T457-E464 PolarHBondContact O-N 3.46Å
458G95.4Very high90.2Very high5 Ų542.7 Ų42.75%0.05224%0.244CC..EExtended strand (participates in β ladder)trans-72.112117100000109.7A432 P573A432-G458 PolarHBondContact O-N 3.09Å; G458-P573 WeakPolarHBondContact O-CG 3.41Å
459T93.1Very high92.1Very high40 Ų4039.9 Ų39.925%0.24521%0.208CC..EExtended strand (participates in β ladder)trans-123.6163.1178.375.40000110.2T457 R461 G462 E464T457-T459 HydrophobicContact CG2-CG2 4.27Å; T457-T459 PolarHBondContact O-N 3.16Å; T459-R461 PolarHBondContact O-N 2.6Å; T459-R461 PolarHBondContact OG1-N 2.94Å; T459-G462 PolarHBondContact N-O 2.82Å; T459-G462 PolarHBondContact O-N 3.45Å; T459-G462 VanDerWaalsContact O-O 3.07Å; T459-G462 PolarHBondContact OG1-N 3.37Å; T459-E464 HydrophobicContact CG2-CB 4.18Å
460G88.9Confident93.4Very high43 Ų4339 Ų3944%0.44320%0.202SC..THydrogen-bonded Turntrans-62.8-4.2174.100000114.7G570G460-G570 PolarHBondContact O-N 3.35Å
461R89.9Confident93.9Very high249 Ų24938.7 Ų38.794%0.9420%0.199SC*.THydrogen-bonded Turntrans-110.21.3174.6-62.6-174.8179.9-173.70.7113.7T459T459-R461 PolarHBondContact O-N 2.6Å; T459-R461 PolarHBondContact OG1-N 2.94Å
462G91.1Very high94Very high13 Ų1339.1 Ų39.113%0.13420%0.203CC..EExtended strand (participates in β ladder)trans133.5-128.6-18000000113.2T459 K572T459-G462 PolarHBondContact N-O 2.82Å; T459-G462 PolarHBondContact O-N 3.45Å; T459-G462 VanDerWaalsContact O-O 3.07Å; T459-G462 PolarHBondContact OG1-N 3.37Å; G462-K572 VanDerWaalsContact O-CB 3.3Å; G462-K572 WeakPolarHBondContact O-CB 3.26Å
463I94.8Very high93.9Very high56 Ų5645.1 Ų45.129%0.28723%0.23SC..EExtended strand (participates in β ladder)trans-128111.6179-52.3177.2000109.1R456 T457 K572 F576R456-I463 HydrophobicContact CB-CG2 3.81Å; T457-I463 CarbonylContact O-C 3.58Å; T457-I463 WeakPolarHBondContact O-CA 3.4Å; I463-K572 HydrophobicContact CD1-CD 4.14Å; I463-K572 HydrophobicContact CD1-CG 4.31Å; I463-K572 HydrophobicContact CG1-CB 4.1Å; I463-K572 HydrophobicContact CG1-CD 4.12Å; I463-K572 HydrophobicContact CG1-CG 3.72Å; I463-F576 HydrophobicContact CD1-CE1 4.16Å; I463-F576 HydrophobicContact CD1-CZ 4.04Å; I463-F576 HydrophobicContact CG1-CZ 4.36Å; I463-F576 HydrophobicContact CG2-CZ 4.07Å
464E94.4Very high93.7Very high66 Ų6650.7 Ų50.731%0.30825%0.251SS..EExtended strand (participates in β ladder)trans-74.9150.7167.7-144.6177.8174.800109.1H428 R456 T457 T459 H466H428-E464 IonicContact CD2-OE2 2.65Å; H428-E464 IonicContact CE1-OE2 2.67Å; H428-E464 IonicContact NE2-OE1 2.75Å; H428-E464 IonicContact NE2-OE2 3.85Å; H428-E464 PolarHBondContact NE2-OE2 3.04Å; R456-E464 CarbonylContact C-O 3.47Å; R456-E464 VanDerWaalsContact CA-O 3.27Å; R456-E464 WeakPolarHBondContact CA-O 3.07Å; T457-E464 PolarHBondContact N-O 3.34Å; T457-E464 PolarHBondContact O-N 3.46Å; T459-E464 HydrophobicContact CG2-CB 4.18Å; E464-H466 WeakPolarHBondContact CG-NE2 3.47Å; E464-H466 IonicContact OE1-CE1 3.85Å; E464-H466 IonicContact OE1-NE2 3.33Å; E464-H466 PolarHBondContact OE1-NE2 3.02Å
465S93.6Very high93.6Very high65 Ų6551.2 Ų51.246%0.45525%0.252SS..EExtended strand (participates in β ladder)trans-153.7124.8-174-64.10000111.4T455 R456T455-S465 WeakPolarHBondContact O-CA 3.21Å; R456-S465 WeakPolarHBondContact CG-OG 3.05Å; R456-S465 PolarHBondContact NE-OG 3.48Å
466H94.3Very high93.5Very high19 Ų1951.7 Ų51.79%0.08825%0.254CS..EExtended strand (participates in β ladder)trans-126.6144-173.7-56.2-104.7000109.4E385 H428 A454 T455 E464 F468E385-H466 IonicContact OE1-CE1 2.64Å; E385-H466 IonicContact OE1-CG 3.46Å; E385-H466 IonicContact OE1-ND1 3.18Å; E385-H466 PolarHBondContact OE1-ND1 3.07Å; H428-H466 AromaticContact CE1-CD2 3.82Å; H428-H466 AromaticContact CE1-NE2 3.36Å; H428-H466 PolarHBondContact CE1-NE2 3.17Å; A454-H466 CarbonylContact C-O 3.33Å; A454-H466 WeakPolarHBondContact CA-O 3.4Å; T455-H466 PolarHBondContact N-O 2.88Å; T455-H466 PolarHBondContact O-N 2.97Å; E464-H466 WeakPolarHBondContact CG-NE2 3.47Å; E464-H466 IonicContact OE1-CE1 3.85Å; E464-H466 IonicContact OE1-NE2 3.33Å; E464-H466 PolarHBondContact OE1-NE2 3.02Å; H466-F468 HydrophobicContact CB-CD2 4.37Å; H466-F468 HydrophobicContact CB-CE1 4.31Å; H466-F468 HydrophobicContact CB-CE2 3.48Å; H466-F468 VanDerWaalsContact CB-CE2 3.48Å; H466-F468 HydrophobicContact CB-CZ 3.43Å; H466-F468 VanDerWaalsContact CB-CZ 3.43Å
467V94.6Very high93.4Very high39 Ų3949.2 Ų49.224%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-117.7127.8174.2-176.30000107.9Q386 V452 A454Q386-V467 HydrophobicContact CB-CB 3.9Å; Q386-V467 HydrophobicContact CB-CG1 4.48Å; Q386-V467 PolarHBondContact N-O 3.39Å; V452-V467 HydrophobicContact CB-CG1 3.9Å; V452-V467 HydrophobicContact CG1-CG1 4.03Å; V452-V467 HydrophobicContact CG2-CG1 4.48Å; A454-V467 HydrophobicContact CB-CG2 4.09Å
468F95.6Very high93.3Very high1 Ų150.4 Ų50.40%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-119.1122.6-177.9-56.9-80000109.9L383 A384 E385 V399 M401 L410 V452 F453 T455 H466L383-F468 HydrophobicContact CB-CB 4.35Å; L383-F468 HydrophobicContact CB-CD1 4.19Å; L383-F468 HydrophobicContact CD1-CB 3.99Å; L383-F468 HydrophobicContact CD1-CD1 3.85Å; L383-F468 HydrophobicContact CD1-CG 3.91Å; A384-F468 CarbonylContact O-C 3.57Å; A384-F468 WeakPolarHBondContact O-CA 3.23Å; E385-F468 HydrophobicContact CB-CD1 4.02Å; E385-F468 HydrophobicContact CB-CE1 4.01Å; E385-F468 HydrophobicContact CG-CD1 4.37Å; E385-F468 HydrophobicContact CG-CE1 4.04Å; V399-F468 HydrophobicContact CG1-CD1 4.18Å; V399-F468 HydrophobicContact CG1-CE1 4.12Å; M401-F468 HydrophobicContact CE-CD1 4.18Å; M401-F468 HydrophobicContact CE-CD2 3.85Å; M401-F468 HydrophobicContact CE-CE1 3.84Å; M401-F468 HydrophobicContact CE-CE2 3.45Å; M401-F468 VanDerWaalsContact CE-CE2 3.45Å; M401-F468 HydrophobicContact CE-CG 4.19Å; M401-F468 HydrophobicContact CE-CZ 3.45Å; M401-F468 VanDerWaalsContact CE-CZ 3.45Å; L410-F468 HydrophobicContact CD1-CE1 4.36Å; L410-F468 HydrophobicContact CD1-CZ 4.15Å; L410-F468 HydrophobicContact CD2-CE1 4.3Å; L410-F468 HydrophobicContact CD2-CZ 4.37Å; V452-F468 CarbonylContact C-O 3.58Å; V452-F468 VanDerWaalsContact CA-O 3.25Å; V452-F468 WeakPolarHBondContact CA-O 3.37Å; F453-F468 HydrophobicContact CD1-CB 4.24Å; F453-F468 HydrophobicContact CD2-CB 4.47Å; F453-F468 HydrophobicContact CD2-CD2 4.08Å; F453-F468 HydrophobicContact CE1-CB 3.82Å; F453-F468 HydrophobicContact CE2-CB 4.06Å; F453-F468 AromaticContact CE2-CD2 3.5Å; F453-F468 HydrophobicContact CE2-CD2 3.5Å; F453-F468 HydrophobicContact CE2-CE2 4.32Å; F453-F468 HydrophobicContact CE2-CG 4.1Å; F453-F468 HydrophobicContact CZ-CB 3.73Å; F453-F468 AromaticContact CZ-CD2 3.91Å; F453-F468 HydrophobicContact CZ-CD2 3.91Å; F453-F468 HydrophobicContact CZ-CG 4.04Å; F453-F468 PolarHBondContact N-O 3.42Å; F453-F468 PolarHBondContact O-N 2.84Å; T455-F468 HydrophobicContact CG2-CE2 4.11Å; H466-F468 HydrophobicContact CB-CD2 4.37Å; H466-F468 HydrophobicContact CB-CE1 4.31Å; H466-F468 HydrophobicContact CB-CE2 3.48Å; H466-F468 VanDerWaalsContact CB-CE2 3.48Å; H466-F468 HydrophobicContact CB-CZ 3.43Å; H466-F468 VanDerWaalsContact CB-CZ 3.43Å
469R94.3Very high93.4Very high21 Ų2150.7 Ų50.78%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-82.8142.9169.4173.1-173.5-167.8-101.112.5110.1R306 A384 F396 D450 L451 V452 E471R306-R469 PolarHBondContact O-NH1 2.84Å; R306-R469 PolarHBondContact O-NH2 3.24Å; A384-R469 HydrophobicContact CB-CB 4.21Å; A384-R469 PolarHBondContact N-O 3.33Å; A384-R469 VanDerWaalsContact N-O 3.08Å; A384-R469 PolarHBondContact O-N 3.23Å; F396-R469 HydrophobicContact CD1-CB 3.77Å; F396-R469 HydrophobicContact CE1-CB 3.52Å; F396-R469 HydrophobicContact CG-CB 4.4Å; F396-R469 HydrophobicContact CZ-CB 3.97Å; D450-R469 IonicContact OD1-CZ 2.8Å; D450-R469 IonicContact OD1-NE 2.64Å; D450-R469 PolarHBondContact OD1-NE 3.44Å; D450-R469 IonicContact OD1-NH2 3.18Å; D450-R469 PolarHBondContact OD1-NH2 2.68Å; L451-R469 WeakPolarHBondContact O-CA 3.43Å; V452-R469 HydrophobicContact CG1-CB 4.13Å; R469-E471 IonicContact CZ-OE1 3.89Å; R469-E471 VanDerWaalsContact NH1-CD 3.33Å; R469-E471 IonicContact NH1-OE1 3.77Å; R469-E471 PolarHBondContact NH1-OE1 3.39Å; R469-E471 IonicContact NH1-OE2 2.7Å; R469-E471 PolarHBondContact NH1-OE2 3.35Å
470V94.3Very high93.5Very high9 Ų949.7 Ų49.76%0.05525%0.253CS..EExtended strand (participates in β ladder)trans-128.8154173.4-68.30000109.9L383 L451 F453 D475 L476L383-V470 HydrophobicContact CD2-CG1 3.42Å; L383-V470 VanDerWaalsContact CD2-CG1 3.42Å; L451-V470 HydrophobicContact CB-CG2 3.91Å; L451-V470 WeakPolarHBondContact O-CG2 3.33Å; L451-V470 PolarHBondContact O-N 3.1Å; F453-V470 HydrophobicContact CD1-CG1 4.32Å; F453-V470 HydrophobicContact CE1-CG1 4Å; V470-D475 HydrophobicContact CB-CB 3.92Å; V470-D475 HydrophobicContact CG1-CB 4.24Å; V470-D475 HydrophobicContact CG2-CB 4.42Å; V470-L476 HydrophobicContact CG2-CB 3.74Å; V470-L476 HydrophobicContact CG2-CD1 4.02Å; V470-L476 HydrophobicContact CG2-CG 4.44Å
471E91.5Very high93.8Very high48 Ų4853.5 Ų53.522%0.22425%0.254CS..SBendtrans-85.7-20.9-173.2-51.3-62.8124.700113.6S305 R306 F343 R469S305-E471 VanDerWaalsContact CA-OE2 3.26Å; S305-E471 WeakPolarHBondContact CA-OE2 3.39Å; R306-E471 PolarHBondContact N-OE2 3.14Å; F343-E471 HydrophobicContact CE2-CB 4.1Å; F343-E471 HydrophobicContact CE2-CG 4.46Å; F343-E471 HydrophobicContact CZ-CB 3.56Å; F343-E471 HydrophobicContact CZ-CG 4.35Å; R469-E471 IonicContact CZ-OE1 3.89Å; R469-E471 VanDerWaalsContact NH1-CD 3.33Å; R469-E471 IonicContact NH1-OE1 3.77Å; R469-E471 PolarHBondContact NH1-OE1 3.39Å; R469-E471 IonicContact NH1-OE2 2.7Å; R469-E471 PolarHBondContact NH1-OE2 3.35Å
472T92.1Very high94.1Very high30 Ų3042.8 Ų42.818%0.18422%0.218CC..SBendtrans-134.2156.5178.777.10000114.2F343 L451 W474 D475 L476F343-T472 HydrophobicContact CE1-CG2 3.73Å; F343-T472 HydrophobicContact CZ-CG2 4.14Å; L451-T472 VanDerWaalsContact CD1-C 3.4Å; T472-W474 PolarHBondContact O-N 3.26Å; T472-W474 PolarHBondContact OG1-N 2.87Å; T472-D475 WeakPolarHBondContact CB-OD2 3.4Å; T472-D475 PolarHBondContact N-OD2 3.37Å; T472-D475 VanDerWaalsContact N-OD2 3.15Å; T472-D475 PolarHBondContact O-N 2.69Å; T472-D475 PolarHBondContact OG1-N 2.8Å; T472-D475 PolarHBondContact OG1-OD2 3.15Å; T472-L476 PolarHBondContact O-N 2.99Å
473H91.3Very high94.4Very high131 Ų13142.5 Ų42.561%0.60621%0.214SC*.Hα-helixtrans-61.6-26.1169.7-77.2-75.2000112.9L451 S477L451-H473 HydrophobicContact CD1-CB 4.47Å; L451-H473 VanDerWaalsContact CD1-N 3.33Å; L451-H473 WeakPolarHBondContact CD2-CE1 3.47Å; H473-S477 PolarHBondContact O-N 2.86Å
474W91.6Very high94.4Very high117 Ų11742.8 Ų42.844%0.44322%0.218SC..Hα-helixtrans-70.1-45.6175.5-172.594.4000110.5W4 T472 L476 S477 T478W4-W474 AromaticContact CH2-CD2 3.92Å; W4-W474 HydrophobicContact CH2-CD2 3.92Å; W4-W474 AromaticContact CH2-CE2 3.84Å; W4-W474 AromaticContact CH2-CE3 3.84Å; W4-W474 HydrophobicContact CH2-CE3 3.84Å; W4-W474 AromaticContact CH2-CH2 3.74Å; W4-W474 HydrophobicContact CH2-CH2 3.74Å; W4-W474 AromaticContact CH2-CZ2 3.77Å; W4-W474 HydrophobicContact CH2-CZ2 3.77Å; W4-W474 AromaticContact CH2-CZ3 3.75Å; W4-W474 HydrophobicContact CH2-CZ3 3.75Å; W4-W474 HydrophobicContact CZ2-CE3 4.37Å; W4-W474 AromaticContact CZ2-CH2 3.42Å; W4-W474 HydrophobicContact CZ2-CH2 3.42Å; W4-W474 VanDerWaalsContact CZ2-CH2 3.42Å; W4-W474 AromaticContact CZ2-CZ2 3.58Å; W4-W474 HydrophobicContact CZ2-CZ2 3.58Å; W4-W474 AromaticContact CZ2-CZ3 3.84Å; W4-W474 HydrophobicContact CZ2-CZ3 3.84Å; T472-W474 PolarHBondContact O-N 3.26Å; T472-W474 PolarHBondContact OG1-N 2.87Å; W474-L476 VanDerWaalsContact C-N 3.33Å; W474-L476 PolarHBondContact O-N 3.02Å; W474-S477 PolarHBondContact O-N 2.79Å; W474-T478 HydrophobicContact CH2-CG2 3.93Å; W474-T478 WeakPolarHBondContact CH2-OG1 3.45Å; W474-T478 WeakPolarHBondContact CZ2-OG1 3.34Å; W474-T478 HydrophobicContact CZ3-CG2 4Å; W474-T478 VanDerWaalsContact CZ3-OG1 3.28Å; W474-T478 WeakPolarHBondContact CZ3-OG1 3.44Å; W474-T478 WeakPolarHBondContact O-CB 3.5Å; W474-T478 PolarHBondContact O-N 2.81Å; W474-T478 PolarHBondContact O-OG1 2.91Å; W474-T478 VanDerWaalsContact O-OG1 3.09Å
475D94.3Very high94.5Very high22 Ų2245.4 Ų45.412%0.11823%0.23CC..Hα-helixtrans-59.6-45.1174.1-55.5-45000110.6H347 V470 T472 S477 T478 W479H347-D475 IonicContact CD2-OD2 3.79Å; H347-D475 IonicContact CE1-OD1 3.11Å; H347-D475 PolarHBondContact CE1-OD1 2.84Å; H347-D475 VanDerWaalsContact CE1-OD1 3.29Å; H347-D475 IonicContact CE1-OD2 2.73Å; H347-D475 PolarHBondContact CE1-OD2 2.93Å; H347-D475 IonicContact NE2-OD1 3.51Å; H347-D475 PolarHBondContact NE2-OD1 3.43Å; H347-D475 IonicContact NE2-OD2 3.14Å; H347-D475 PolarHBondContact NE2-OD2 3.4Å; V470-D475 HydrophobicContact CB-CB 3.92Å; V470-D475 HydrophobicContact CG1-CB 4.24Å; V470-D475 HydrophobicContact CG2-CB 4.42Å; T472-D475 WeakPolarHBondContact CB-OD2 3.4Å; T472-D475 PolarHBondContact N-OD2 3.37Å; T472-D475 VanDerWaalsContact N-OD2 3.15Å; T472-D475 PolarHBondContact O-N 2.69Å; T472-D475 PolarHBondContact OG1-N 2.8Å; T472-D475 PolarHBondContact OG1-OD2 3.15Å; D475-S477 VanDerWaalsContact C-N 3.33Å; D475-S477 PolarHBondContact O-N 2.92Å; D475-T478 PolarHBondContact O-N 2.84Å; D475-T478 VanDerWaalsContact O-N 3.14Å; D475-W479 WeakPolarHBondContact O-CB 3.09Å; D475-W479 VanDerWaalsContact O-CD1 3.28Å; D475-W479 PolarHBondContact O-N 3.19Å
476L95.1Very high94.6Very high12 Ų1243 Ų436%0.06322%0.216CC..Hα-helixtrans-56.7-46.5176.3-172.263000111.4F453 V470 T472 W474 T480F453-L476 HydrophobicContact CB-CD1 3.94Å; F453-L476 HydrophobicContact CD1-CD1 4.12Å; V470-L476 HydrophobicContact CG2-CB 3.74Å; V470-L476 HydrophobicContact CG2-CD1 4.02Å; V470-L476 HydrophobicContact CG2-CG 4.44Å; T472-L476 PolarHBondContact O-N 2.99Å; W474-L476 VanDerWaalsContact C-N 3.33Å; W474-L476 PolarHBondContact O-N 3.02Å; L476-T480 HydrophobicContact CD1-CG2 4.17Å; L476-T480 WeakPolarHBondContact O-CB 3.28Å; L476-T480 WeakPolarHBondContact O-CG2 3.33Å; L476-T480 PolarHBondContact O-N 3.24Å; L476-T480 VanDerWaalsContact O-N 3.09Å; L476-T480 PolarHBondContact O-OG1 3.29Å
477S94.4Very high94.7Very high46 Ų4643.1 Ų43.132%0.32222%0.218SC..Hα-helixtrans-66.1-37.6177-168.90000112.5H473 W474 D475 T480 R481H473-S477 PolarHBondContact O-N 2.86Å; W474-S477 PolarHBondContact O-N 2.79Å; D475-S477 VanDerWaalsContact C-N 3.33Å; D475-S477 PolarHBondContact O-N 2.92Å; S477-T480 PolarHBondContact O-OG1 3.23Å; S477-R481 WeakPolarHBondContact O-CB 3.36Å; S477-R481 PolarHBondContact O-N 2.63Å; S477-R481 VanDerWaalsContact O-N 3.15Å; S477-R481 PolarHBondContact O-NH1 3.18Å; S477-R481 PolarHBondContact OG-NH1 2.82Å; S477-R481 PolarHBondContact OG-NH2 3.28Å; S477-R481 VanDerWaalsContact OG-NH2 3.13Å
478T94.7Very high94.8Very high26 Ų2642.8 Ų42.816%0.1621%0.214CC..Hα-helixtrans-69.7-49.9-179.6-66.80000111.2W474 D475 A482W474-T478 HydrophobicContact CH2-CG2 3.93Å; W474-T478 WeakPolarHBondContact CH2-OG1 3.45Å; W474-T478 WeakPolarHBondContact CZ2-OG1 3.34Å; W474-T478 HydrophobicContact CZ3-CG2 4Å; W474-T478 VanDerWaalsContact CZ3-OG1 3.28Å; W474-T478 WeakPolarHBondContact CZ3-OG1 3.44Å; W474-T478 WeakPolarHBondContact O-CB 3.5Å; W474-T478 PolarHBondContact O-N 2.81Å; W474-T478 PolarHBondContact O-OG1 2.91Å; W474-T478 VanDerWaalsContact O-OG1 3.09Å; D475-T478 PolarHBondContact O-N 2.84Å; D475-T478 VanDerWaalsContact O-N 3.14Å; T478-A482 WeakPolarHBondContact O-CB 3.25Å; T478-A482 PolarHBondContact O-N 3.3Å
479W96.9Very high94.7Very high11 Ų1144.9 Ų44.94%0.04223%0.231CC..Hα-helixtrans-62.4-48.6178.3-82.2107.1000112.9H379 L383 M401 L403 F453 D475 R481 A482 L483H379-W479 AromaticContact CD2-CD2 3.91Å; H379-W479 AromaticContact CD2-CE2 3.9Å; H379-W479 AromaticContact CD2-CE3 3.8Å; H379-W479 AromaticContact CD2-CH2 3.66Å; H379-W479 AromaticContact CD2-CZ2 3.79Å; H379-W479 AromaticContact CD2-CZ3 3.68Å; H379-W479 AromaticContact NE2-CE2 3.85Å; H379-W479 AromaticContact NE2-CZ2 3.98Å; L383-W479 HydrophobicContact CD1-CD2 4.47Å; L383-W479 HydrophobicContact CD1-CZ2 4.44Å; L383-W479 HydrophobicContact CD2-CD2 4.13Å; L383-W479 HydrophobicContact CD2-CG 4.2Å; L383-W479 HydrophobicContact CD2-CZ2 4.25Å; L383-W479 HydrophobicContact CG-CZ2 4.21Å; M401-W479 HydrophobicContact CB-CH2 3.7Å; M401-W479 HydrophobicContact CB-CZ3 3.9Å; M401-W479 HydrophobicContact CG-CH2 3.95Å; M401-W479 HydrophobicContact CG-CZ3 3.64Å; M401-W479 WeakPolarHBondContact O-CH2 3.42Å; M401-W479 HydrophobicContact SD-CE3 3.8Å; M401-W479 HydrophobicContact SD-CH2 4.22Å; M401-W479 HydrophobicContact SD-CZ3 3.41Å; M401-W479 WeakPolarHBondContact SD-CZ3 3.31Å; L403-W479 HydrophobicContact CD1-CE3 4.18Å; L403-W479 HydrophobicContact CD1-CZ3 3.99Å; L403-W479 HydrophobicContact CD2-CZ3 4.44Å; L403-W479 HydrophobicContact CG-CZ3 3.92Å; F453-W479 HydrophobicContact CD1-CB 4.31Å; F453-W479 HydrophobicContact CE1-CB 3.69Å; F453-W479 AromaticContact CE1-CG 3.98Å; F453-W479 HydrophobicContact CE1-CG 3.98Å; F453-W479 HydrophobicContact CZ-CB 4.06Å; F453-W479 HydrophobicContact CZ-CD2 4.47Å; F453-W479 HydrophobicContact CZ-CE3 4.49Å; F453-W479 HydrophobicContact CZ-CG 4.29Å; D475-W479 WeakPolarHBondContact O-CB 3.09Å; D475-W479 VanDerWaalsContact O-CD1 3.28Å; D475-W479 PolarHBondContact O-N 3.19Å; W479-R481 PolarHBondContact O-N 3.46Å; W479-A482 PolarHBondContact O-N 3.24Å; W479-L483 WeakPolarHBondContact O-CB 3.35Å; W479-L483 VanDerWaalsContact O-CG 3.31Å; W479-L483 WeakPolarHBondContact O-CG 3.33Å; W479-L483 PolarHBondContact O-N 2.8Å
480T96Very high94.8Very high20 Ų2043.9 Ų43.912%0.12323%0.227CC..Hα-helixtrans-65.6-39.4-178.754.90000112.2L435 F453 L476 S477 V484L435-T480 HydrophobicContact CD1-CG2 4.13Å; L435-T480 HydrophobicContact CD2-CG2 3.94Å; F453-T480 HydrophobicContact CB-CG2 3.96Å; F453-T480 HydrophobicContact CG-CG2 4.34Å; L476-T480 HydrophobicContact CD1-CG2 4.17Å; L476-T480 WeakPolarHBondContact O-CB 3.28Å; L476-T480 WeakPolarHBondContact O-CG2 3.33Å; L476-T480 PolarHBondContact O-N 3.24Å; L476-T480 VanDerWaalsContact O-N 3.09Å; L476-T480 PolarHBondContact O-OG1 3.29Å; S477-T480 PolarHBondContact O-OG1 3.23Å; T480-V484 WeakPolarHBondContact O-CG2 3.24Å; T480-V484 PolarHBondContact O-N 3.31Å; T480-V484 VanDerWaalsContact O-N 3.1Å
481R95.4Very high94.9Very high123 Ų12343.5 Ų43.546%0.46423%0.225SC..Hα-helixtrans-64.3-46.6172.2-177.2-177-66.196.8-0.5111.8S477 W479 L483 V484 Q485S477-R481 WeakPolarHBondContact O-CB 3.36Å; S477-R481 PolarHBondContact O-N 2.63Å; S477-R481 VanDerWaalsContact O-N 3.15Å; S477-R481 PolarHBondContact O-NH1 3.18Å; S477-R481 PolarHBondContact OG-NH1 2.82Å; S477-R481 PolarHBondContact OG-NH2 3.28Å; S477-R481 VanDerWaalsContact OG-NH2 3.13Å; W479-R481 PolarHBondContact O-N 3.46Å; R481-L483 VanDerWaalsContact C-N 3.31Å; R481-L483 PolarHBondContact O-N 3.29Å; R481-V484 PolarHBondContact O-N 2.87Å; R481-Q485 HydrophobicContact CG-CG 4.2Å; R481-Q485 VanDerWaalsContact O-CB 3.3Å; R481-Q485 WeakPolarHBondContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CG 3.42Å; R481-Q485 PolarHBondContact O-N 3.46Å
482A96.6Very high95Very high23 Ų2344.9 Ų44.919%0.1923%0.231CC..Hα-helixtrans-63.7-36.5-179.500000112.2H379 L403 T478 W479 G486H379-A482 HydrophobicContact CB-CB 4.41Å; L403-A482 HydrophobicContact CD1-CB 3.73Å; T478-A482 WeakPolarHBondContact O-CB 3.25Å; T478-A482 PolarHBondContact O-N 3.3Å; W479-A482 PolarHBondContact O-N 3.24Å; A482-G486 WeakPolarHBondContact O-CA 3.37Å; A482-G486 PolarHBondContact O-N 3.03Å
483L97.3Very high95.1Very high8 Ų847.2 Ų47.24%0.04224%0.242CC..Hα-helixtrans-63.8-54172.4-74.8165.4000111.7L403 I408 L435 F453 T455 W479 R481 Q485 G486 V487L403-L483 HydrophobicContact CD1-CD2 4.11Å; L403-L483 HydrophobicContact CD1-CG 4.18Å; L403-L483 HydrophobicContact CD2-CD2 3.65Å; I408-L483 HydrophobicContact CD1-CD2 3.56Å; I408-L483 HydrophobicContact CG1-CD2 4.31Å; L435-L483 HydrophobicContact CD1-CD1 4.45Å; F453-L483 HydrophobicContact CD2-CD1 3.91Å; F453-L483 HydrophobicContact CE2-CD1 3.5Å; F453-L483 HydrophobicContact CZ-CD1 4.16Å; T455-L483 HydrophobicContact CG2-CD1 4.34Å; W479-L483 WeakPolarHBondContact O-CB 3.35Å; W479-L483 VanDerWaalsContact O-CG 3.31Å; W479-L483 WeakPolarHBondContact O-CG 3.33Å; W479-L483 PolarHBondContact O-N 2.8Å; R481-L483 VanDerWaalsContact C-N 3.31Å; R481-L483 PolarHBondContact O-N 3.29Å; L483-Q485 PolarHBondContact O-N 3.02Å; L483-G486 PolarHBondContact O-N 3.45Å; L483-V487 WeakPolarHBondContact O-CG2 3.16Å; L483-V487 PolarHBondContact O-N 3.39Å
484V95.2Very high95.2Very high62 Ų6243.5 Ų43.538%0.37623%0.226SC..Hα-helixtrans-62.8-46.7-178.2173.70000111.5L435 T480 R481 G486 V487 H488L435-V484 HydrophobicContact CD2-CG2 3.99Å; T480-V484 WeakPolarHBondContact O-CG2 3.24Å; T480-V484 PolarHBondContact O-N 3.31Å; T480-V484 VanDerWaalsContact O-N 3.1Å; R481-V484 PolarHBondContact O-N 2.87Å; V484-G486 VanDerWaalsContact C-N 3.3Å; V484-G486 PolarHBondContact O-N 3.09Å; V484-V487 PolarHBondContact O-N 3.44Å; V484-H488 PolarHBondContact O-N 3.17Å; V484-H488 VanDerWaalsContact O-N 3.08Å
485Q95.1Very high95.4Very high121 Ų12141.7 Ų41.757%0.56522%0.221SC*.Hα-helixtrans-65.4-34.4176.6-68.7-178.7-25.100112R481 L483 H488 A489R481-Q485 HydrophobicContact CG-CG 4.2Å; R481-Q485 VanDerWaalsContact O-CB 3.3Å; R481-Q485 WeakPolarHBondContact O-CB 3.29Å; R481-Q485 WeakPolarHBondContact O-CG 3.42Å; R481-Q485 PolarHBondContact O-N 3.46Å; L483-Q485 PolarHBondContact O-N 3.02Å; Q485-H488 PolarHBondContact O-N 3.11Å; Q485-A489 WeakPolarHBondContact O-CB 3.38Å; Q485-A489 PolarHBondContact O-N 3.22Å
486G96.1Very high95.4Very high15 Ų1545.1 Ų45.116%0.15524%0.237CC..Hα-helixtrans-62.5-46.7173.100000112.5A482 L483 V484 H488 A489 A490A482-G486 WeakPolarHBondContact O-CA 3.37Å; A482-G486 PolarHBondContact O-N 3.03Å; L483-G486 PolarHBondContact O-N 3.45Å; V484-G486 VanDerWaalsContact C-N 3.3Å; V484-G486 PolarHBondContact O-N 3.09Å; G486-H488 VanDerWaalsContact C-N 3.33Å; G486-H488 PolarHBondContact O-N 3.13Å; G486-A489 PolarHBondContact O-N 3.01Å; G486-A490 VanDerWaalsContact O-CB 3.22Å; G486-A490 WeakPolarHBondContact O-CB 3.39Å; G486-A490 PolarHBondContact O-N 2.67Å
487V96.7Very high95.5Very high20 Ų2047 Ų4712%0.12125%0.248CC..Hα-helixtrans-61.6-41175.7176.20000111.5L430 L483 V484 A491L430-V487 HydrophobicContact CB-CG2 4.16Å; L430-V487 HydrophobicContact CD2-CG2 4.15Å; L430-V487 WeakPolarHBondContact O-CG2 3.29Å; L483-V487 WeakPolarHBondContact O-CG2 3.16Å; L483-V487 PolarHBondContact O-N 3.39Å; V484-V487 PolarHBondContact O-N 3.44Å; V487-A491 PolarHBondContact O-N 2.82Å
488H95.7Very high95.5Very high33 Ų3347.6 Ų47.615%0.15325%0.252CS..Hα-helixtrans-68.2-43.6177.4-67.4-179.9000112.4V484 Q485 G486 A491 E492 S583 A584 T587V484-H488 PolarHBondContact O-N 3.17Å; V484-H488 VanDerWaalsContact O-N 3.08Å; Q485-H488 PolarHBondContact O-N 3.11Å; G486-H488 VanDerWaalsContact C-N 3.33Å; G486-H488 PolarHBondContact O-N 3.13Å; H488-A491 WeakPolarHBondContact O-CB 3.37Å; H488-A491 PolarHBondContact O-N 3.22Å; H488-E492 WeakPolarHBondContact O-CG 3.32Å; H488-E492 PolarHBondContact O-N 2.87Å; H488-S583 PolarHBondContact NE2-OG 3.24Å; H488-A584 HydrophobicContact CB-CB 4.19Å; H488-T587 PolarHBondContact CE1-OG1 2.84Å
489A95.5Very high95.5Very high45 Ų4548.2 Ų48.237%0.37226%0.255SS..Hα-helixtrans-63.9-42174.500000111.9Q485 G486 A491 E492 I493Q485-A489 WeakPolarHBondContact O-CB 3.38Å; Q485-A489 PolarHBondContact O-N 3.22Å; G486-A489 PolarHBondContact O-N 3.01Å; A489-A491 VanDerWaalsContact C-N 3.28Å; A489-A491 PolarHBondContact O-N 2.65Å; A489-E492 PolarHBondContact O-N 3.25Å; A489-E492 VanDerWaalsContact O-N 3.14Å; A489-I493 WeakPolarHBondContact O-CB 3.49Å; A489-I493 VanDerWaalsContact O-CG1 3.29Å; A489-I493 WeakPolarHBondContact O-CG1 3.21Å; A489-I493 PolarHBondContact O-N 3.36Å
490A96.2Very high95.4Very high0 Ų049.3 Ų49.30%027%0.269CS..Hα-helixtrans-59.7-38174.800000111.6E405 L430 L431 G486 I493 I494E405-A490 WeakPolarHBondContact O-CB 3.3Å; L430-A490 HydrophobicContact CB-CB 3.99Å; L430-A490 HydrophobicContact CD1-CB 4.12Å; L431-A490 HydrophobicContact CD2-CB 4.23Å; L431-A490 HydrophobicContact CG-CB 4.39Å; G486-A490 VanDerWaalsContact O-CB 3.22Å; G486-A490 WeakPolarHBondContact O-CB 3.39Å; G486-A490 PolarHBondContact O-N 2.67Å; A490-I493 PolarHBondContact O-N 2.83Å; A490-I494 HydrophobicContact CB-CD1 4.25Å; A490-I494 VanDerWaalsContact O-CB 3.23Å; A490-I494 WeakPolarHBondContact O-CB 3.39Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.5Å; A490-I494 PolarHBondContact O-N 3.37Å
491A96.2Very high95.3Very high0 Ų048.4 Ų48.40%026%0.264CS..Hα-helixtrans-63-41.7174.900000112.2L431 V487 H488 A489 K495 Y514 F581 A584L431-A491 HydrophobicContact CD2-CB 3.85Å; V487-A491 PolarHBondContact O-N 2.82Å; H488-A491 WeakPolarHBondContact O-CB 3.37Å; H488-A491 PolarHBondContact O-N 3.22Å; A489-A491 VanDerWaalsContact C-N 3.28Å; A489-A491 PolarHBondContact O-N 2.65Å; A491-K495 PolarHBondContact O-N 2.84Å; A491-Y514 HydrophobicContact CB-CD2 4.31Å; A491-Y514 HydrophobicContact CB-CE2 4.31Å; A491-F581 HydrophobicContact CB-CD1 3.78Å; A491-F581 HydrophobicContact CB-CE1 4.14Å; A491-A584 HydrophobicContact CB-CB 3.75Å
492E92.8Very high95.4Very high77 Ų7744 Ų4436%0.3625%0.25SS..Hα-helixtrans-72.7-29178.9-59.5-124.1113.400113.1H488 A489 K495 Y514 R588H488-E492 WeakPolarHBondContact O-CG 3.32Å; H488-E492 PolarHBondContact O-N 2.87Å; A489-E492 PolarHBondContact O-N 3.25Å; A489-E492 VanDerWaalsContact O-N 3.14Å; E492-K495 WeakPolarHBondContact O-CD 3.29Å; E492-K495 WeakPolarHBondContact O-CE 3.21Å; E492-K495 PolarHBondContact O-NZ 2.94Å; E492-Y514 HydrophobicContact CB-CE1 4.48Å; E492-Y514 HydrophobicContact CG-CE1 3.87Å; E492-Y514 WeakPolarHBondContact OE1-CE1 3.42Å; E492-Y514 PolarHBondContact OE1-OH 2.98Å; E492-R588 WeakPolarHBondContact OE1-CD 3.43Å; E492-R588 IonicContact OE1-CZ 2.8Å; E492-R588 IonicContact OE1-NE 3.92Å; E492-R588 IonicContact OE1-NH1 3.23Å; E492-R588 PolarHBondContact OE1-NH1 2.98Å
493I93.8Very high95.3Very high80 Ų8043.1 Ų43.141%0.4124%0.243SC..Hα-helixtrans-81.7-46.1178.2-69.4166.6000111.8E405 A489 A490E405-I493 HydrophobicContact CB-CD1 4.12Å; E405-I493 HydrophobicContact CG-CD1 4.26Å; A489-I493 WeakPolarHBondContact O-CB 3.49Å; A489-I493 VanDerWaalsContact O-CG1 3.29Å; A489-I493 WeakPolarHBondContact O-CG1 3.21Å; A489-I493 PolarHBondContact O-N 3.36Å; A490-I493 PolarHBondContact O-N 2.83Å
494I94.9Very high95.1Very high52 Ų5248.8 Ų48.827%0.26727%0.273SS..Hα-helixtrans-75.8-33.1-174.3-67.6166.7000111.3K406 L431 A490 E496 V497K406-I494 HydrophobicContact CB-CD1 4.36Å; K406-I494 HydrophobicContact CD-CG1 4.4Å; K406-I494 HydrophobicContact CG-CD1 4.12Å; K406-I494 HydrophobicContact CG-CG1 4.27Å; L431-I494 HydrophobicContact CD1-CB 4Å; L431-I494 HydrophobicContact CD1-CD1 3.6Å; L431-I494 HydrophobicContact CD1-CG1 4.39Å; L431-I494 HydrophobicContact CD1-CG2 3.89Å; L431-I494 HydrophobicContact CG-CD1 3.97Å; A490-I494 HydrophobicContact CB-CD1 4.25Å; A490-I494 VanDerWaalsContact O-CB 3.23Å; A490-I494 WeakPolarHBondContact O-CB 3.39Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.5Å; A490-I494 PolarHBondContact O-N 3.37Å; I494-E496 WeakPolarHBondContact CG2-O 3.11Å; I494-E496 PolarHBondContact O-N 3.01Å; I494-V497 HydrophobicContact CG2-CG2 4.04Å
495K94.7Very high94.8Very high80 Ų8057.4 Ų57.435%0.34830%0.299SS..  trans59.2-39.7-179.1-63.4-59.4-165.6-150.10117.1A491 E492 H513 Y514A491-K495 PolarHBondContact O-N 2.84Å; E492-K495 WeakPolarHBondContact O-CD 3.29Å; E492-K495 WeakPolarHBondContact O-CE 3.21Å; E492-K495 PolarHBondContact O-NZ 2.94Å; K495-H513 CarbonylContact O-C 3.46Å; K495-H513 WeakPolarHBondContact O-CA 3.33Å; K495-H513 PolarHBondContact O-ND1 3.21Å; K495-Y514 HydrophobicContact CD-CD1 4.21Å; K495-Y514 VanDerWaalsContact O-CB 3.23Å; K495-Y514 WeakPolarHBondContact O-CB 3.31Å; K495-Y514 PolarHBondContact O-N 2.81Å
496E95.3Very high94.7Very high94 Ų9455.7 Ų55.744%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-150152.117959.3-179.1-139.500112.9I494 T511 L512 H513I494-E496 WeakPolarHBondContact CG2-O 3.11Å; I494-E496 PolarHBondContact O-N 3.01Å; E496-T511 HydrophobicContact CB-CG2 4.1Å; E496-L512 CarbonylContact C-O 3.52Å; E496-L512 WeakPolarHBondContact CA-O 3.37Å; E496-L512 WeakPolarHBondContact CB-O 3.43Å; E496-H513 HydrophobicContact CB-CB 3.99Å; E496-H513 IonicContact OE2-CD2 3.24Å; E496-H513 PolarHBondContact OE2-CD2 2.83Å; E496-H513 IonicContact OE2-CG 2.66Å; E496-H513 IonicContact OE2-NE2 2.7Å
497V95.9Very high94.6Very high51 Ų5159.4 Ų59.431%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-130.6131.8174.2175.90000107.5L431 I494 T511 L512 V577 F581L431-V497 HydrophobicContact CD1-CG2 4.03Å; I494-V497 HydrophobicContact CG2-CG2 4.04Å; V497-T511 WeakPolarHBondContact O-CA 3.44Å; V497-L512 PolarHBondContact N-O 3.07Å; V497-L512 PolarHBondContact O-N 3.02Å; V497-V577 HydrophobicContact CB-CG1 4Å; V497-V577 HydrophobicContact CG2-CG1 3.87Å; V497-V577 HydrophobicContact CG2-CG2 4.42Å; V497-F581 HydrophobicContact CG2-CE2 4.43Å; V497-F581 HydrophobicContact CG2-CZ 4.07Å
498S94.9Very high94.5Very high58 Ų5858.5 Ų58.541%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-120.4141.4-179.3-63.50000111.3L510 T511S498-L510 WeakPolarHBondContact CA-O 3.46Å; S498-T511 WeakPolarHBondContact OG-CB 3.29Å; S498-T511 WeakPolarHBondContact OG-CG2 3.45Å; S498-T511 PolarHBondContact OG-OG1 3.13Å
499I94.3Very high94.5Very high40 Ų4062.1 Ų62.121%0.20531%0.314CS..EExtended strand (participates in β ladder)trans-131.1138.6174.8-170.4164000110.1R509 L510 L567 V574I499-R509 CarbonylContact O-C 3.51Å; I499-R509 WeakPolarHBondContact O-CA 3.33Å; I499-L510 HydrophobicContact CG2-CB 4Å; I499-L510 HydrophobicContact CG2-CD2 4.48Å; I499-L510 HydrophobicContact CG2-CG 4.49Å; I499-L510 PolarHBondContact N-O 3.22Å; I499-L510 PolarHBondContact O-N 3.33Å; I499-L567 HydrophobicContact CD1-CB 4.14Å; I499-L567 HydrophobicContact CD1-CD1 4.41Å; I499-L567 HydrophobicContact CD1-CD2 4.38Å; I499-L567 HydrophobicContact CG2-CD2 4.08Å; I499-V574 HydrophobicContact CD1-CG2 3.86Å; I499-V574 HydrophobicContact CG2-CG2 4.19Å
500G94.2Very high94.5Very high34 Ų3460 Ų6035%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-82.1130.9170.100000110.2
501C95.3Very high94.5Very high1 Ų160.7 Ų60.71%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-157.1159.8-170.755.90000111.1V508 D566 L567C501-V508 PolarHBondContact N-O 2.93Å; C501-V508 CarbonylContact O-C 3.58Å; C501-V508 WeakPolarHBondContact O-CG2 3.3Å; C501-V508 PolarHBondContact O-N 3.35Å; C501-V508 PolarHBondContact SG-O 2.94Å; C501-D566 CarbonylContact C-O 3.52Å; C501-D566 WeakPolarHBondContact CA-O 3.48Å; C501-D566 WeakPolarHBondContact CB-O 3.28Å; C501-L567 HydrophobicContact CB-CD2 3.52Å
502T96.4Very high94.6Very high29 Ų2960.9 Ų60.918%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-100.6130.5176.7-51.30000110.4Q506 D507 D566 H568T502-Q506 WeakPolarHBondContact CA-O 3.26Å; T502-D507 PolarHBondContact OG1-OD1 2.81Å; T502-D566 PolarHBondContact N-O 2.77Å; T502-D566 PolarHBondContact O-N 2.9Å; T502-H568 PolarHBondContact OG1-CE1 3.31Å; T502-H568 VanDerWaalsContact OG1-CE1 3.3Å; T502-H568 PolarHBondContact OG1-NE2 3.34Å
503L95.2Very high94.8Very high6 Ų657.9 Ų57.93%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-125.5126.7174.6172.369.5000108.1R505 Q506 V508 I520 F534 M563 V564 F565L503-R505 PolarHBondContact O-N 3.35Å; L503-R505 VanDerWaalsContact O-N 3.1Å; L503-Q506 PolarHBondContact N-O 2.91Å; L503-Q506 PolarHBondContact O-N 2.92Å; L503-Q506 VanDerWaalsContact O-O 3.11Å; L503-V508 HydrophobicContact CB-CG1 4.31Å; L503-V508 HydrophobicContact CB-CG2 3.57Å; L503-V508 HydrophobicContact CD2-CG2 4.47Å; L503-I520 HydrophobicContact CD2-CG2 4.26Å; L503-F534 HydrophobicContact CD2-CE2 4.27Å; L503-M563 HydrophobicContact CD1-CB 4.32Å; L503-M563 HydrophobicContact CD1-CE 4.34Å; L503-M563 HydrophobicContact CD2-CE 3.7Å; L503-V564 WeakPolarHBondContact CD1-O 3.13Å; L503-F565 HydrophobicContact CB-CD1 4.27Å; L503-F565 HydrophobicContact CB-CE1 4.35Å; L503-F565 HydrophobicContact CD1-CD1 4.37Å; L503-F565 HydrophobicContact CD1-CE1 4.13Å; L503-F565 HydrophobicContact CD1-CZ 4.32Å; L503-F565 HydrophobicContact CD2-CE1 3.93Å; L503-F565 HydrophobicContact CD2-CZ 4.41Å; L503-F565 HydrophobicContact CG-CE1 4.36Å
504N91.6Very high94.8Very high126 Ų12654.1 Ų54.167%0.67427%0.268SS*.THydrogen-bonded Turntrans5037.5178.9-64.4-18.4000114Q506N504-Q506 VanDerWaalsContact C-N 3.28Å; N504-Q506 PolarHBondContact O-N 2.76Å
505R90.4Very high94.7Very high244 Ų24455.7 Ų55.792%0.92127%0.274SS*.THydrogen-bonded Turntrans62.424.1-174.7-49.2-177-178.1-161.20.4115.2L503L503-R505 PolarHBondContact O-N 3.35Å; L503-R505 VanDerWaalsContact O-N 3.1Å
506Q91.9Very high94.7Very high84 Ų8458.5 Ų58.539%0.39329%0.286SS..EExtended strand (participates in β ladder)trans-119.3139.5169.1-60.8-178.623.900109.4T502 L503 N504T502-Q506 WeakPolarHBondContact CA-O 3.26Å; L503-Q506 PolarHBondContact N-O 2.91Å; L503-Q506 PolarHBondContact O-N 2.92Å; L503-Q506 VanDerWaalsContact O-O 3.11Å; N504-Q506 VanDerWaalsContact C-N 3.28Å; N504-Q506 PolarHBondContact O-N 2.76Å
507D93.9Very high94.7Very high93 Ų9354 Ų5450%0.49727%0.265SS..EExtended strand (participates in β ladder)trans-79.1126.5176.4-59.5-41000110.1T502 E523T502-D507 PolarHBondContact OG1-OD1 2.81Å; D507-E523 HydrophobicContact CB-CB 4.31Å; D507-E523 PolarHBondContact O-N 3.49Å
508V95.3Very high94.7Very high1 Ų151.7 Ų51.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-137.7149.2-172.4-58.70000110.1C501 L503 I520 T521 L533C501-V508 PolarHBondContact N-O 2.93Å; C501-V508 CarbonylContact O-C 3.58Å; C501-V508 WeakPolarHBondContact O-CG2 3.3Å; C501-V508 PolarHBondContact O-N 3.35Å; C501-V508 PolarHBondContact SG-O 2.94Å; L503-V508 HydrophobicContact CB-CG1 4.31Å; L503-V508 HydrophobicContact CB-CG2 3.57Å; L503-V508 HydrophobicContact CD2-CG2 4.47Å; V508-I520 HydrophobicContact CB-CG2 3.96Å; V508-I520 HydrophobicContact CG1-CG2 4.32Å; V508-I520 HydrophobicContact CG2-CG2 4.06Å; V508-T521 CarbonylContact C-O 3.58Å; V508-T521 WeakPolarHBondContact CA-O 3.33Å; V508-T521 WeakPolarHBondContact CB-O 3.48Å; V508-L533 HydrophobicContact CG1-CD1 3.7Å
509R95.3Very high94.8Very high110 Ų11049.9 Ų49.942%0.41524%0.238SC..EExtended strand (participates in β ladder)trans-97.8115.7171-162.1173.3-66.7177.2-2.2108.8I499 I520 T521 E523I499-R509 CarbonylContact O-C 3.51Å; I499-R509 WeakPolarHBondContact O-CA 3.33Å; R509-I520 WeakPolarHBondContact O-CA 3.48Å; R509-T521 PolarHBondContact N-O 3.44Å; R509-T521 PolarHBondContact O-N 3.49Å; R509-E523 IonicContact CZ-OE1 3.15Å; R509-E523 IonicContact NE-OE1 2.73Å; R509-E523 PolarHBondContact NE-OE1 3.33Å; R509-E523 IonicContact NH2-OE1 3.27Å; R509-E523 PolarHBondContact NH2-OE1 2.88Å
510L95.9Very high94.8Very high0 Ų048 Ų480%023%0.228CC..EExtended strand (participates in β ladder)trans-88.5113.2171.5174.863000108.4S498 I499 L512 F518 I520 L552 L554 F565S498-L510 WeakPolarHBondContact CA-O 3.46Å; I499-L510 HydrophobicContact CG2-CB 4Å; I499-L510 HydrophobicContact CG2-CD2 4.48Å; I499-L510 HydrophobicContact CG2-CG 4.49Å; I499-L510 PolarHBondContact N-O 3.22Å; I499-L510 PolarHBondContact O-N 3.33Å; L510-L512 HydrophobicContact CD1-CD1 4.26Å; L510-L512 HydrophobicContact CD2-CD1 4.16Å; L510-L512 HydrophobicContact CG-CD1 3.84Å; L510-F518 HydrophobicContact CD1-CD1 4.36Å; L510-I520 HydrophobicContact CD1-CG1 3.96Å; L510-L552 HydrophobicContact CD2-CD2 3.93Å; L510-L554 HydrophobicContact CD2-CD1 4.43Å; L510-F565 HydrophobicContact CB-CD1 4.49Å; L510-F565 HydrophobicContact CD1-CE1 4.31Å; L510-F565 HydrophobicContact CD1-CZ 4.48Å; L510-F565 HydrophobicContact CD2-CD1 4.2Å; L510-F565 HydrophobicContact CD2-CD2 4.46Å; L510-F565 HydrophobicContact CD2-CG 4.18Å
511T96.8Very high94.8Very high15 Ų1547.7 Ų47.79%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-107.7118.7177.5-58.70000109.9E496 V497 S498 F518 T519E496-T511 HydrophobicContact CB-CG2 4.1Å; V497-T511 WeakPolarHBondContact O-CA 3.44Å; S498-T511 WeakPolarHBondContact OG-CB 3.29Å; S498-T511 WeakPolarHBondContact OG-CG2 3.45Å; S498-T511 PolarHBondContact OG-OG1 3.13Å; T511-F518 WeakPolarHBondContact O-CA 3.46Å; T511-T519 PolarHBondContact N-O 3.17Å; T511-T519 PolarHBondContact O-N 2.88Å
512L97.2Very high94.7Very high4 Ų453.1 Ų53.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-92.1117.9166.9-79.464.3000107.6E496 V497 L510 F518 V574 V577 L578 F581E496-L512 CarbonylContact C-O 3.52Å; E496-L512 WeakPolarHBondContact CA-O 3.37Å; E496-L512 WeakPolarHBondContact CB-O 3.43Å; V497-L512 PolarHBondContact N-O 3.07Å; V497-L512 PolarHBondContact O-N 3.02Å; L510-L512 HydrophobicContact CD1-CD1 4.26Å; L510-L512 HydrophobicContact CD2-CD1 4.16Å; L510-L512 HydrophobicContact CG-CD1 3.84Å; L512-F518 HydrophobicContact CD1-CD1 4Å; L512-F518 HydrophobicContact CD1-CE1 4.16Å; L512-F518 HydrophobicContact CD2-CE1 4.36Å; L512-F518 HydrophobicContact CG-CD1 3.98Å; L512-F518 HydrophobicContact CG-CE1 3.9Å; L512-V574 HydrophobicContact CD1-CG1 3.91Å; L512-V574 HydrophobicContact CD2-CG1 3.85Å; L512-V577 HydrophobicContact CD2-CG1 4.21Å; L512-L578 HydrophobicContact CD2-CB 3.88Å; L512-F581 HydrophobicContact CB-CD2 4.22Å; L512-F581 HydrophobicContact CB-CE2 3.99Å; L512-F581 WeakPolarHBondContact O-CE2 3.4Å
513H96.6Very high94Very high13 Ų1354.8 Ų54.86%0.0625%0.245CC..EExtended strand (participates in β ladder)trans-114.4129.2177.1-178.1-41.4000109.7K495 E496 E515 K516 G517 Y538K495-H513 CarbonylContact O-C 3.46Å; K495-H513 WeakPolarHBondContact O-CA 3.33Å; K495-H513 PolarHBondContact O-ND1 3.21Å; E496-H513 HydrophobicContact CB-CB 3.99Å; E496-H513 IonicContact OE2-CD2 3.24Å; E496-H513 PolarHBondContact OE2-CD2 2.83Å; E496-H513 IonicContact OE2-CG 2.66Å; E496-H513 IonicContact OE2-NE2 2.7Å; H513-E515 VanDerWaalsContact C-N 3.29Å; H513-E515 PolarHBondContact ND1-N 2.93Å; H513-E515 PolarHBondContact O-N 3.17Å; H513-E515 VanDerWaalsContact O-N 3.12Å; H513-K516 HydrophobicContact CB-CB 4.11Å; H513-K516 PolarHBondContact CD2-NZ 2.79Å; H513-K516 PolarHBondContact ND1-N 2.95Å; H513-K516 WeakPolarHBondContact NE2-CD 3.2Å; H513-K516 VanDerWaalsContact NE2-CE 3.34Å; H513-K516 WeakPolarHBondContact NE2-CE 3.5Å; H513-K516 PolarHBondContact NE2-NZ 2.86Å; H513-K516 PolarHBondContact O-N 2.89Å; H513-G517 PolarHBondContact N-O 3.08Å; H513-G517 PolarHBondContact O-N 2.59Å; H513-Y538 WeakPolarHBondContact O-CE2 3.4Å; H513-Y538 PolarHBondContact O-OH 2.84Å
514Y95.2Very high92.8Very high2 Ų257 Ų571%0.00826%0.26CS..THydrogen-bonded Turntrans-46.5-43.6-175172.7-134.9000114.6A491 E492 K495 Y538 F581 A584 K585A491-Y514 HydrophobicContact CB-CD2 4.31Å; A491-Y514 HydrophobicContact CB-CE2 4.31Å; E492-Y514 HydrophobicContact CB-CE1 4.48Å; E492-Y514 HydrophobicContact CG-CE1 3.87Å; E492-Y514 WeakPolarHBondContact OE1-CE1 3.42Å; E492-Y514 PolarHBondContact OE1-OH 2.98Å; K495-Y514 HydrophobicContact CD-CD1 4.21Å; K495-Y514 VanDerWaalsContact O-CB 3.23Å; K495-Y514 WeakPolarHBondContact O-CB 3.31Å; K495-Y514 PolarHBondContact O-N 2.81Å; Y514-Y538 VanDerWaalsContact O-CE2 3.29Å; Y514-Y538 WeakPolarHBondContact O-CE2 3.41Å; Y514-F581 HydrophobicContact CD2-CB 4.2Å; Y514-F581 AromaticContact CD2-CD1 3.97Å; Y514-F581 HydrophobicContact CD2-CD1 3.97Å; Y514-F581 HydrophobicContact CD2-CG 4.35Å; Y514-F581 HydrophobicContact CG-CD1 4.26Å; Y514-A584 HydrophobicContact CE2-CB 3.74Å; Y514-K585 HydrophobicContact CD2-CB 4.49Å; Y514-K585 HydrophobicContact CE2-CB 3.94Å
515E92.6Very high91.4Very high85 Ų8556.1 Ų56.140%0.39727%0.27SS..THydrogen-bonded Turntrans-99.7-45.2179-57.8-177.2147.100113.3H513 G517 R588H513-E515 VanDerWaalsContact C-N 3.29Å; H513-E515 PolarHBondContact ND1-N 2.93Å; H513-E515 PolarHBondContact O-N 3.17Å; H513-E515 VanDerWaalsContact O-N 3.12Å; E515-G517 VanDerWaalsContact C-N 3.35Å; E515-G517 PolarHBondContact O-N 3.42Å; E515-R588 IonicContact OE1-CZ 3.21Å; E515-R588 VanDerWaalsContact OE1-CZ 3.24Å; E515-R588 IonicContact OE1-NH1 3.52Å; E515-R588 PolarHBondContact OE1-NH1 2.81Å; E515-R588 IonicContact OE1-NH2 3.75Å; E515-R588 PolarHBondContact OE1-NH2 2.86Å
516K93.6Very high89.7Confident139 Ų13950.5 Ų50.560%0.60426%0.258SS*.THydrogen-bonded Turntrans-77.7-13.1-171.2-58.3177.9-169.6130.40114.6H513H513-K516 HydrophobicContact CB-CB 4.11Å; H513-K516 PolarHBondContact CD2-NZ 2.79Å; H513-K516 PolarHBondContact ND1-N 2.95Å; H513-K516 WeakPolarHBondContact NE2-CD 3.2Å; H513-K516 VanDerWaalsContact NE2-CE 3.34Å; H513-K516 WeakPolarHBondContact NE2-CE 3.5Å; H513-K516 PolarHBondContact NE2-NZ 2.86Å; H513-K516 PolarHBondContact O-N 2.89Å
517G95.1Very high88Confident0 Ų056.2 Ų56.20%029%0.285CS..EExtended strand (participates in β ladder)trans82.6-142.1-173.300000112.5H513 E515 Y538H513-G517 PolarHBondContact N-O 3.08Å; H513-G517 PolarHBondContact O-N 2.59Å; E515-G517 VanDerWaalsContact C-N 3.35Å; E515-G517 PolarHBondContact O-N 3.42Å; G517-Y538 VanDerWaalsContact CA-CE2 3.44Å
518F96.8Very high86.1Confident2 Ų257.2 Ų57.21%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-92.3134.5-174.8-54.7-95.6000110.5L510 T511 L512 R535 Y536 Y538 L541 L554 F556 L578L510-F518 HydrophobicContact CD1-CD1 4.36Å; T511-F518 WeakPolarHBondContact O-CA 3.46Å; L512-F518 HydrophobicContact CD1-CD1 4Å; L512-F518 HydrophobicContact CD1-CE1 4.16Å; L512-F518 HydrophobicContact CD2-CE1 4.36Å; L512-F518 HydrophobicContact CG-CD1 3.98Å; L512-F518 HydrophobicContact CG-CE1 3.9Å; F518-R535 CarbonylContact O-C 3.59Å; F518-R535 WeakPolarHBondContact O-CA 3.29Å; F518-Y536 PolarHBondContact N-O 2.97Å; F518-Y536 PolarHBondContact O-N 2.83Å; F518-Y538 AromaticContact CE2-CD1 3.74Å; F518-Y538 HydrophobicContact CE2-CD1 3.74Å; F518-Y538 AromaticContact CE2-CE1 3.96Å; F518-Y538 HydrophobicContact CE2-CE1 3.96Å; F518-Y538 HydrophobicContact CZ-CD1 4.24Å; F518-Y538 HydrophobicContact CZ-CE1 4.15Å; F518-L541 HydrophobicContact CE2-CB 4.33Å; F518-L541 HydrophobicContact CE2-CD1 4.31Å; F518-L541 HydrophobicContact CE2-CD2 4.23Å; F518-L541 HydrophobicContact CZ-CD1 4.26Å; F518-L541 HydrophobicContact CZ-CD2 4.02Å; F518-L554 HydrophobicContact CD1-CD1 4.1Å; F518-L554 HydrophobicContact CE1-CD1 3.96Å; F518-F556 HydrophobicContact CB-CE1 4.45Å; F518-F556 HydrophobicContact CB-CZ 4.11Å; F518-F556 HydrophobicContact CD1-CZ 4.18Å; F518-F556 AromaticContact CD2-CE1 3.44Å; F518-F556 HydrophobicContact CD2-CE1 3.44Å; F518-F556 VanDerWaalsContact CD2-CE1 3.44Å; F518-F556 AromaticContact CD2-CZ 3.74Å; F518-F556 HydrophobicContact CD2-CZ 3.74Å; F518-F556 AromaticContact CE2-CE1 3.73Å; F518-F556 HydrophobicContact CE2-CE1 3.73Å; F518-F556 HydrophobicContact CE2-CZ 4.16Å; F518-F556 AromaticContact CG-CE1 3.95Å; F518-F556 HydrophobicContact CG-CE1 3.95Å; F518-F556 AromaticContact CG-CZ 3.75Å; F518-F556 HydrophobicContact CG-CZ 3.75Å; F518-F556 HydrophobicContact CZ-CE1 4.43Å; F518-L578 HydrophobicContact CE1-CD1 4.2Å; F518-L578 HydrophobicContact CE2-CD1 4.45Å; F518-L578 HydrophobicContact CZ-CD1 3.57Å; F518-L578 HydrophobicContact CZ-CD2 4.23Å
519T96.3Very high84.5Confident20 Ų2061 Ų6112%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-124.6137.2166.2-630000108.6T511 T521 V532 R535T511-T519 PolarHBondContact N-O 3.17Å; T511-T519 PolarHBondContact O-N 2.88Å; T519-T521 HydrophobicContact CG2-CG2 4.09Å; T519-V532 HydrophobicContact CG2-CG1 4.17Å; T519-V532 HydrophobicContact CG2-CG2 4.5Å; T519-R535 HydrophobicContact CG2-CG 4.02Å
520I95.4Very high83.4Confident1 Ų156.7 Ų56.71%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-120.1117.4176.6-56.6167.9000106.8L503 V508 R509 L510 L533 F534 M563 F565L503-I520 HydrophobicContact CD2-CG2 4.26Å; V508-I520 HydrophobicContact CB-CG2 3.96Å; V508-I520 HydrophobicContact CG1-CG2 4.32Å; V508-I520 HydrophobicContact CG2-CG2 4.06Å; R509-I520 WeakPolarHBondContact O-CA 3.48Å; L510-I520 HydrophobicContact CD1-CG1 3.96Å; I520-L533 HydrophobicContact CG2-CB 4.47Å; I520-L533 HydrophobicContact CG2-CD1 4.39Å; I520-L533 PolarHBondContact O-N 2.97Å; I520-F534 HydrophobicContact CB-CB 4.29Å; I520-F534 HydrophobicContact CB-CD2 4.21Å; I520-F534 HydrophobicContact CD1-CB 4.09Å; I520-F534 HydrophobicContact CD1-CD2 3.95Å; I520-F534 HydrophobicContact CD1-CG 4.42Å; I520-F534 HydrophobicContact CG2-CD2 4.33Å; I520-F534 PolarHBondContact N-O 2.86Å; I520-F534 PolarHBondContact O-N 3.26Å; I520-M563 HydrophobicContact CD1-CE 3.73Å; I520-M563 HydrophobicContact CD1-SD 4.1Å; I520-F565 HydrophobicContact CD1-CE1 3.67Å; I520-F565 HydrophobicContact CD1-CZ 3.46Å; I520-F565 VanDerWaalsContact CD1-CZ 3.46Å; I520-F565 HydrophobicContact CG1-CE1 4.15Å; I520-F565 HydrophobicContact CG1-CZ 4.31Å
521T94.7Very high83Confident27 Ų2759.7 Ų59.717%0.16635%0.349CS..EExtended strand (participates in β ladder)trans-111.9144.417364.20000110V508 R509 T519 E523 A531 V532V508-T521 CarbonylContact C-O 3.58Å; V508-T521 WeakPolarHBondContact CA-O 3.33Å; V508-T521 WeakPolarHBondContact CB-O 3.48Å; R509-T521 PolarHBondContact N-O 3.44Å; R509-T521 PolarHBondContact O-N 3.49Å; T519-T521 HydrophobicContact CG2-CG2 4.09Å; T521-E523 PolarHBondContact O-N 3Å; T521-A531 CarbonylContact C-O 3.48Å; T521-A531 VanDerWaalsContact CA-O 3.27Å; T521-A531 WeakPolarHBondContact CA-O 3.18Å; T521-V532 HydrophobicContact CG2-CG2 4Å
522R91.7Very high82.8Confident115 Ų11562.3 Ų62.343%0.43437%0.365SS..EExtended strand (participates in β ladder)trans-62.8134.5164.9-178.2174.7-71.1150.8-0109.1P524 G530 A531 L533R522-P524 WeakPolarHBondContact O-CD 3.36Å; R522-G530 WeakPolarHBondContact O-CA 3.37Å; R522-A531 PolarHBondContact N-O 3.16Å; R522-L533 HydrophobicContact CB-CD1 4.26Å; R522-L533 HydrophobicContact CB-CD2 4.32Å; R522-L533 HydrophobicContact CB-CG 4.33Å
523E83.1Confident82.5Confident64 Ų6464.9 Ų64.930%0.29938%0.378SS..PPolyproline II helixtrans-71.8120.9172.4-162.3120.6-115.100108D507 R509 T521D507-E523 HydrophobicContact CB-CB 4.31Å; D507-E523 PolarHBondContact O-N 3.49Å; R509-E523 IonicContact CZ-OE1 3.15Å; R509-E523 IonicContact NE-OE1 2.73Å; R509-E523 PolarHBondContact NE-OE1 3.33Å; R509-E523 IonicContact NH2-OE1 3.27Å; R509-E523 PolarHBondContact NH2-OE1 2.88Å; T521-E523 PolarHBondContact O-N 3Å
524P70.3Confident82.4Confident52 Ų5266.5 Ų66.534%0.33839%0.385SS..PPolyproline II helixtrans-82.5149-175.135.1-36000111R522 D526 T528R522-P524 WeakPolarHBondContact O-CD 3.36Å; P524-D526 VanDerWaalsContact C-N 3.26Å; P524-D526 VanDerWaalsContact CB-O 3.28Å; P524-D526 WeakPolarHBondContact CB-O 3.41Å; P524-D526 VanDerWaalsContact CG-O 3.27Å; P524-D526 WeakPolarHBondContact CG-O 3.28Å; P524-D526 PolarHBondContact O-N 3.28Å; P524-T528 WeakPolarHBondContact CB-O 3.38Å; P524-T528 WeakPolarHBondContact CG-O 3.21Å
525A60.6Low82.4Confident108 Ų10874.8 Ų74.889%0.89342%0.416SS*.SBendtrans-71.1-21.9175.800000113.2
526D55.2Low82.5Confident125 Ų12572.2 Ų72.267%0.66840%0.403SS*.SBendtrans-126.7164.4177-88.2-55.8000110.6P524 T528P524-D526 VanDerWaalsContact C-N 3.26Å; P524-D526 VanDerWaalsContact CB-O 3.28Å; P524-D526 WeakPolarHBondContact CB-O 3.41Å; P524-D526 VanDerWaalsContact CG-O 3.27Å; P524-D526 WeakPolarHBondContact CG-O 3.28Å; P524-D526 PolarHBondContact O-N 3.28Å; D526-T528 PolarHBondContact O-N 2.86Å
527Q55.5Low82.5Confident205 Ų20568.5 Ų68.596%0.95839%0.393SS*.SBendtrans-71.14.9-168-58.9-176.713.800115.8
528T55.9Low82.4Confident114 Ų11469.1 Ų69.170%0.69940%0.396SS*.SBendtrans-76.2123.3171.538.80000110.7P524 D526 G530P524-T528 WeakPolarHBondContact CB-O 3.38Å; P524-T528 WeakPolarHBondContact CG-O 3.21Å; D526-T528 PolarHBondContact O-N 2.86Å; T528-G530 PolarHBondContact O-N 3.27Å
529G60Low82.1Confident79 Ų7975 Ų7581%0.81442%0.423SS*.PPolyproline II helixtrans-49.3124.4-168.400000114.8
530G72.8Confident82Confident21 Ų2179.6 Ų79.622%0.21644%0.441CS..PPolyproline II helixtrans-62.4143.7-17100000115.1R522 T528 V532R522-G530 WeakPolarHBondContact O-CA 3.37Å; T528-G530 PolarHBondContact O-N 3.27Å; G530-V532 PolarHBondContact O-N 2.97Å
531A86.9Confident81.9Confident63 Ų6381.2 Ų81.252%0.52145%0.45SS..PPolyproline II helixtrans-61.8132.2-177.600000112T521 R522 L533T521-A531 CarbonylContact C-O 3.48Å; T521-A531 VanDerWaalsContact CA-O 3.27Å; T521-A531 WeakPolarHBondContact CA-O 3.18Å; R522-A531 PolarHBondContact N-O 3.16Å; A531-L533 PolarHBondContact O-N 3Å
532V92.5Very high81.7Confident70 Ų7086.9 Ų86.942%0.42447%0.472SS..EExtended strand (participates in β ladder)trans-68.3118.9172.6-179.80000108.9T519 T521 G530 R535T519-V532 HydrophobicContact CG2-CG1 4.17Å; T519-V532 HydrophobicContact CG2-CG2 4.5Å; T521-V532 HydrophobicContact CG2-CG2 4Å; G530-V532 PolarHBondContact O-N 2.97Å; V532-R535 HydrophobicContact CG1-CG 3.85Å
533L92.3Very high81.7Confident57 Ų5785.8 Ų85.830%0.29847%0.473SS..EExtended strand (participates in β ladder)trans-85.4-48.2174.2-57.9179.2000110.3V508 I520 R522 A531V508-L533 HydrophobicContact CG1-CD1 3.7Å; I520-L533 HydrophobicContact CG2-CB 4.47Å; I520-L533 HydrophobicContact CG2-CD1 4.39Å; I520-L533 PolarHBondContact O-N 2.97Å; R522-L533 HydrophobicContact CB-CD1 4.26Å; R522-L533 HydrophobicContact CB-CD2 4.32Å; R522-L533 HydrophobicContact CB-CG 4.33Å; A531-L533 PolarHBondContact O-N 3Å
534F93.1Very high82.2Confident48 Ų4885.4 Ų85.421%0.21148%0.477CS..EExtended strand (participates in β ladder)trans-144.6155-175.1-51.3-80.2000112.5L503 I520 Y536 E560 M563L503-F534 HydrophobicContact CD2-CE2 4.27Å; I520-F534 HydrophobicContact CB-CB 4.29Å; I520-F534 HydrophobicContact CB-CD2 4.21Å; I520-F534 HydrophobicContact CD1-CB 4.09Å; I520-F534 HydrophobicContact CD1-CD2 3.95Å; I520-F534 HydrophobicContact CD1-CG 4.42Å; I520-F534 HydrophobicContact CG2-CD2 4.33Å; I520-F534 PolarHBondContact N-O 2.86Å; I520-F534 PolarHBondContact O-N 3.26Å; F534-Y536 HydrophobicContact CB-CD2 4.32Å; F534-Y536 HydrophobicContact CB-CE2 3.62Å; F534-Y536 HydrophobicContact CD1-CE2 4.42Å; F534-Y536 WeakPolarHBondContact CD1-OH 3.08Å; F534-Y536 HydrophobicContact CG-CE2 4.16Å; F534-E560 HydrophobicContact CD1-CG 4.48Å; F534-E560 HydrophobicContact CE1-CG 3.74Å; F534-E560 HydrophobicContact CZ-CG 4.13Å; F534-M563 HydrophobicContact CD2-CE 3.69Å; F534-M563 HydrophobicContact CE2-CE 3.63Å; F534-M563 HydrophobicContact CG-CE 4.29Å; F534-M563 HydrophobicContact CZ-CE 4.17Å
535R95Very high83.4Confident175 Ų17584.9 Ų84.966%0.6648%0.478SS*.EExtended strand (participates in β ladder)trans-140.9129.5168.3-72.3-175.3173.3156.51.9110.3F518 T519 V532F518-R535 CarbonylContact O-C 3.59Å; F518-R535 WeakPolarHBondContact O-CA 3.29Å; T519-R535 HydrophobicContact CG2-CG 4.02Å; V532-R535 HydrophobicContact CG1-CG 3.85Å
536Y95.3Very high85.1Confident32 Ų3281.8 Ų81.813%0.12545%0.446CS..EExtended strand (participates in β ladder)trans-134120.5178.4-58.5-70.4000110.6F518 F534 F556 M563F518-Y536 PolarHBondContact N-O 2.97Å; F518-Y536 PolarHBondContact O-N 2.83Å; F534-Y536 HydrophobicContact CB-CD2 4.32Å; F534-Y536 HydrophobicContact CB-CE2 3.62Å; F534-Y536 HydrophobicContact CD1-CE2 4.42Å; F534-Y536 WeakPolarHBondContact CD1-OH 3.08Å; F534-Y536 HydrophobicContact CG-CE2 4.16Å; Y536-F556 VanDerWaalsContact CB-CD1 3.44Å; Y536-F556 HydrophobicContact CD1-CB 3.76Å; Y536-F556 HydrophobicContact CD1-CD1 4.34Å; Y536-F556 HydrophobicContact CD1-CD2 4.43Å; Y536-F556 AromaticContact CD1-CG 3.94Å; Y536-F556 HydrophobicContact CD1-CG 3.94Å; Y536-F556 HydrophobicContact CD2-CB 4.26Å; Y536-F556 HydrophobicContact CD2-CD1 4.04Å; Y536-F556 AromaticContact CD2-CD2 3.37Å; Y536-F556 HydrophobicContact CD2-CD2 3.37Å; Y536-F556 HydrophobicContact CD2-CE1 4.21Å; Y536-F556 AromaticContact CD2-CE2 3.57Å; Y536-F556 HydrophobicContact CD2-CE2 3.57Å; Y536-F556 AromaticContact CD2-CG 3.62Å; Y536-F556 HydrophobicContact CD2-CG 3.62Å; Y536-F556 AromaticContact CD2-CZ 3.99Å; Y536-F556 HydrophobicContact CD2-CZ 3.99Å; Y536-F556 HydrophobicContact CE1-CB 4.01Å; Y536-F556 HydrophobicContact CE1-CG 4.41Å; Y536-F556 HydrophobicContact CE2-CB 4.47Å; Y536-F556 AromaticContact CE2-CD2 3.63Å; Y536-F556 HydrophobicContact CE2-CD2 3.63Å; Y536-F556 HydrophobicContact CE2-CE2 4.06Å; Y536-F556 HydrophobicContact CE2-CG 4.11Å; Y536-F556 HydrophobicContact CG-CB 3.9Å; Y536-F556 AromaticContact CG-CD1 3.7Å; Y536-F556 HydrophobicContact CG-CD1 3.7Å; Y536-F556 AromaticContact CG-CD2 3.82Å; Y536-F556 HydrophobicContact CG-CD2 3.82Å; Y536-F556 HydrophobicContact CG-CE1 4.14Å; Y536-F556 HydrophobicContact CG-CE2 4.24Å; Y536-F556 AromaticContact CG-CG 3.52Å; Y536-F556 HydrophobicContact CG-CG 3.52Å; Y536-F556 HydrophobicContact CG-CZ 4.38Å; Y536-M563 HydrophobicContact CE2-SD 3.82Å
537P94.1Very high86.9Confident60 Ų6078.5 Ų78.539%0.3943%0.429SS..  trans-69.4156.917233.6-36.8000110E539 K540P537-E539 WeakPolarHBondContact CB-OE2 3.41Å; P537-E539 PolarHBondContact O-N 3.2Å; P537-E539 VanDerWaalsContact O-N 3.07Å; P537-K540 HydrophobicContact CG-CG 3.96Å; P537-K540 WeakPolarHBondContact O-CB 3.47Å; P537-K540 PolarHBondContact O-N 2.87Å
538Y92.6Very high88.5Confident14 Ų1470.1 Ų70.16%0.05540%0.397CS..G310 helixtrans-54.8-32.5-176.3-71.1-73.3000113.5H513 Y514 G517 F518 K540 L541 L578 L582 K585H513-Y538 WeakPolarHBondContact O-CE2 3.4Å; H513-Y538 PolarHBondContact O-OH 2.84Å; Y514-Y538 VanDerWaalsContact O-CE2 3.29Å; Y514-Y538 WeakPolarHBondContact O-CE2 3.41Å; G517-Y538 VanDerWaalsContact CA-CE2 3.44Å; F518-Y538 AromaticContact CE2-CD1 3.74Å; F518-Y538 HydrophobicContact CE2-CD1 3.74Å; F518-Y538 AromaticContact CE2-CE1 3.96Å; F518-Y538 HydrophobicContact CE2-CE1 3.96Å; F518-Y538 HydrophobicContact CZ-CD1 4.24Å; F518-Y538 HydrophobicContact CZ-CE1 4.15Å; Y538-K540 PolarHBondContact O-N 2.85Å; Y538-K540 VanDerWaalsContact O-N 3.15Å; Y538-L541 WeakPolarHBondContact O-CB 3.49Å; Y538-L541 PolarHBondContact O-N 2.86Å; Y538-L578 HydrophobicContact CD1-CD1 4.02Å; Y538-L578 HydrophobicContact CE1-CD1 3.6Å; Y538-L582 HydrophobicContact CD1-CD2 3.62Å; Y538-L582 HydrophobicContact CD1-CG 4.15Å; Y538-L582 HydrophobicContact CE1-CD2 4.26Å; Y538-L582 HydrophobicContact CE1-CG 4.39Å; Y538-L582 HydrophobicContact CG-CD2 3.81Å; Y538-K585 HydrophobicContact CD2-CD 4.32Å
539E90.5Very high90.2Very high126 Ų12670.7 Ų70.759%0.58939%0.394SS*.G310 helixtrans-67.1-10.3-179.6-60.673.2-163.600113.2P537 K585P537-E539 WeakPolarHBondContact CB-OE2 3.41Å; P537-E539 PolarHBondContact O-N 3.2Å; P537-E539 VanDerWaalsContact O-N 3.07Å; E539-K585 IonicContact OE1-NZ 4Å; E539-K585 PolarHBondContact OE1-NZ 2.82Å; E539-K585 IonicContact OE2-NZ 2.93Å
540K93.6Very high91.9Very high115 Ų11572 Ų7250%0.538%0.375SS..G310 helixtrans-91-23.5171.2-75.3-70.6-172.11700113.9P537 Y538 K542 F556P537-K540 HydrophobicContact CG-CG 3.96Å; P537-K540 WeakPolarHBondContact O-CB 3.47Å; P537-K540 PolarHBondContact O-N 2.87Å; Y538-K540 PolarHBondContact O-N 2.85Å; Y538-K540 VanDerWaalsContact O-N 3.15Å; K540-K542 PolarHBondContact O-N 2.79Å; K540-K542 VanDerWaalsContact O-N 3.16Å; K540-F556 HydrophobicContact CB-CD1 4.39Å; K540-F556 CarbonylContact O-C 3.37Å; K540-F556 WeakPolarHBondContact O-CA 3.38Å
541L93.4Very high93Very high36 Ų3672.7 Ų72.719%0.18837%0.373CS..  trans-62.2117.7-179.1-172.974.8000109.9F518 Y538 M543 L554 F556 L578F518-L541 HydrophobicContact CE2-CB 4.33Å; F518-L541 HydrophobicContact CE2-CD1 4.31Å; F518-L541 HydrophobicContact CE2-CD2 4.23Å; F518-L541 HydrophobicContact CZ-CD1 4.26Å; F518-L541 HydrophobicContact CZ-CD2 4.02Å; Y538-L541 WeakPolarHBondContact O-CB 3.49Å; Y538-L541 PolarHBondContact O-N 2.86Å; L541-M543 WeakPolarHBondContact CD1-O 3.43Å; L541-L554 HydrophobicContact CD1-CB 4.17Å; L541-L554 HydrophobicContact CD1-CD2 4.03Å; L541-F556 HydrophobicContact CB-CD1 4.24Å; L541-F556 HydrophobicContact CB-CE1 4.13Å; L541-F556 HydrophobicContact CD1-CD1 4.03Å; L541-F556 HydrophobicContact CD1-CE1 3.54Å; L541-F556 HydrophobicContact CD1-CZ 3.98Å; L541-F556 HydrophobicContact CG-CE1 4.45Å; L541-L578 HydrophobicContact CD2-CD2 4.24Å
542K91.9Very high93.5Very high146 Ų14669.9 Ų69.964%0.63535%0.349SS*.  trans-97.1-40.5175.9-67.4-48.8-169.7-176.60112.3K540 D555 A557K540-K542 PolarHBondContact O-N 2.79Å; K540-K542 VanDerWaalsContact O-N 3.16Å; K542-D555 WeakPolarHBondContact CB-OD2 3.39Å; K542-D555 PolarHBondContact N-O 2.88Å; K542-A557 HydrophobicContact CG-CB 3.74Å
543M91.4Very high93.7Very high91 Ų9169.4 Ų69.445%0.44834%0.341SS..EExtended strand (participates in β ladder)trans-137.5140.6-178.8-149-166.1-3700109.9L541 L554 D555L541-M543 WeakPolarHBondContact CD1-O 3.43Å; M543-L554 WeakPolarHBondContact O-CA 3.12Å; M543-D555 HydrophobicContact CB-CB 3.88Å; M543-D555 PolarHBondContact N-O 2.82Å; M543-D555 PolarHBondContact O-N 2.97Å
544S94.1Very high93.9Very high56 Ų5666.7 Ų66.739%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-133.5122.6161.657.70000108.3Y553S544-Y553 WeakPolarHBondContact CA-O 3.48Å
545A94.9Very high94Very high42 Ų4266 Ų6635%0.34733%0.325SS..EExtended strand (participates in β ladder)trans-132.8164.1175.400000109.9Y553A545-Y553 PolarHBondContact N-O 2.83Å; A545-Y553 PolarHBondContact O-N 2.88Å
546D94.9Very high93.9Very high43 Ų4357.9 Ų57.923%0.2329%0.294CS..EExtended strand (participates in β ladder)trans-150.3144.9-179.889.679.4000110.6G548 N551 L552 P571 K572 V575D546-G548 VanDerWaalsContact C-N 3.28Å; D546-G548 PolarHBondContact O-N 2.96Å; D546-G548 VanDerWaalsContact OD1-CA 3.24Å; D546-G548 WeakPolarHBondContact OD1-CA 3.11Å; D546-G548 PolarHBondContact OD1-N 3.26Å; D546-N551 WeakPolarHBondContact CA-O 3.29Å; D546-L552 HydrophobicContact CB-CD1 4.35Å; D546-P571 HydrophobicContact CB-CB 4.01Å; D546-P571 HydrophobicContact CB-CG 3.66Å; D546-P571 VanDerWaalsContact OD1-CG 3.26Å; D546-P571 WeakPolarHBondContact OD1-CG 3.19Å; D546-K572 WeakPolarHBondContact OD1-CE 3.45Å; D546-K572 IonicContact OD1-NZ 3.29Å; D546-K572 PolarHBondContact OD1-NZ 2.95Å; D546-K572 IonicContact OD2-NZ 2.64Å; D546-K572 PolarHBondContact OD2-NZ 3.33Å; D546-V575 HydrophobicContact CB-CG2 4.12Å
547D93.9Very high93.4Very high56 Ų5659.4 Ų59.430%0.29931%0.314SS..  trans-82-3.6-178.170.2-4.2000113.9I549 R550 N551 Y553D547-I549 PolarHBondContact O-N 3.07Å; D547-I549 WeakPolarHBondContact OD1-CA 3.42Å; D547-I549 PolarHBondContact OD1-N 2.89Å; D547-R550 PolarHBondContact OD1-N 3.47Å; D547-N551 HydrophobicContact CB-CB 4.39Å; D547-N551 VanDerWaalsContact CG-N 3.32Å; D547-N551 PolarHBondContact N-O 3.21Å; D547-N551 VanDerWaalsContact N-O 3.14Å; D547-N551 PolarHBondContact OD1-N 3.15Å; D547-N551 WeakPolarHBondContact OD2-CB 3.43Å; D547-N551 PolarHBondContact OD2-N 2.71Å; D547-N551 PolarHBondContact OD2-ND2 2.85Å; D547-Y553 HydrophobicContact CB-CE2 4.17Å
548G90.1Very high92.8Very high28 Ų2857.8 Ų57.829%0.28931%0.308SS..SBendtrans76.1-2.8-174.100000115.5D546D546-G548 VanDerWaalsContact C-N 3.28Å; D546-G548 PolarHBondContact O-N 2.96Å; D546-G548 VanDerWaalsContact OD1-CA 3.24Å; D546-G548 WeakPolarHBondContact OD1-CA 3.11Å; D546-G548 PolarHBondContact OD1-N 3.26Å
549I91.6Very high92.4Very high126 Ų12663.2 Ų63.265%0.64635%0.345SS*.SBendtrans-122-55.6-167.4-58.7172.5000111.8D547 S569 G570D547-I549 PolarHBondContact O-N 3.07Å; D547-I549 WeakPolarHBondContact OD1-CA 3.42Å; D547-I549 PolarHBondContact OD1-N 2.89Å; I549-S569 CarbonylContact O-C 3.54Å; I549-G570 WeakPolarHBondContact O-CA 3.33Å; I549-G570 PolarHBondContact O-N 3.24Å
550R94.1Very high92.1Very high108 Ų10862 Ų6241%0.40834%0.339SS..SBendtrans-154-28-178.472.5-168.1-69173.8-3.1115.4D547 D566 L567 S569D547-R550 PolarHBondContact OD1-N 3.47Å; R550-D566 IonicContact CZ-OD1 3.48Å; R550-D566 IonicContact CZ-OD2 3.39Å; R550-D566 VanDerWaalsContact CZ-OD2 3.27Å; R550-D566 IonicContact NE-OD1 2.74Å; R550-D566 PolarHBondContact NE-OD1 2.84Å; R550-D566 IonicContact NE-OD2 2.78Å; R550-D566 PolarHBondContact NE-OD2 3.05Å; R550-D566 VanDerWaalsContact NH2-CG 3.31Å; R550-D566 IonicContact NH2-OD1 3.76Å; R550-D566 PolarHBondContact NH2-OD1 2.71Å; R550-D566 IonicContact NH2-OD2 3.17Å; R550-D566 PolarHBondContact NH2-OD2 3.34Å; R550-L567 WeakPolarHBondContact O-CB 3.22Å; R550-L567 PolarHBondContact O-N 2.8Å; R550-S569 WeakPolarHBondContact CA-O 3.36Å
551N96.3Very high91.8Very high34 Ų3458 Ų5818%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-95.1132.2-170.9-63-70.9000111.7D546 D547 Y553 V564 F565D546-N551 WeakPolarHBondContact CA-O 3.29Å; D547-N551 HydrophobicContact CB-CB 4.39Å; D547-N551 VanDerWaalsContact CG-N 3.32Å; D547-N551 PolarHBondContact N-O 3.21Å; D547-N551 VanDerWaalsContact N-O 3.14Å; D547-N551 PolarHBondContact OD1-N 3.15Å; D547-N551 WeakPolarHBondContact OD2-CB 3.43Å; D547-N551 PolarHBondContact OD2-N 2.71Å; D547-N551 PolarHBondContact OD2-ND2 2.85Å; N551-Y553 HydrophobicContact CB-CD2 4.4Å; N551-Y553 HydrophobicContact CB-CE2 3.56Å; N551-V564 HydrophobicContact CB-CG1 4.23Å; N551-F565 WeakPolarHBondContact CA-O 3.31Å
552L97.1Very high91.9Very high4 Ų460.9 Ų60.92%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-111.5127.5168177.771.3000108.7L510 D546 L554 F565 L567 P571 V574 V575L510-L552 HydrophobicContact CD2-CD2 3.93Å; D546-L552 HydrophobicContact CB-CD1 4.35Å; L552-L554 HydrophobicContact CD1-CD2 4.21Å; L552-L554 HydrophobicContact CD2-CD1 4.16Å; L552-L554 HydrophobicContact CD2-CD2 4.29Å; L552-L554 HydrophobicContact CD2-CG 4.28Å; L552-L554 HydrophobicContact CG-CD2 4.1Å; L552-L554 HydrophobicContact CG-CG 4.15Å; L552-F565 HydrophobicContact CB-CB 4.42Å; L552-F565 PolarHBondContact N-O 3.19Å; L552-F565 PolarHBondContact O-N 3.11Å; L552-L567 HydrophobicContact CB-CD1 3.82Å; L552-L567 HydrophobicContact CB-CG 4.19Å; L552-L567 HydrophobicContact CD2-CD1 4.22Å; L552-P571 HydrophobicContact CB-CB 4.33Å; L552-V574 HydrophobicContact CD2-CB 4.48Å; L552-V574 HydrophobicContact CD2-CG1 3.85Å; L552-V575 HydrophobicContact CD1-CG2 3.72Å
553Y96.8Very high92Very high61 Ų6154.4 Ų54.424%0.23932%0.315CS..EExtended strand (participates in β ladder)trans-109.6122-177.8-54.8-101.3000108.4S544 A545 D547 N551 E562 M563 V564S544-Y553 WeakPolarHBondContact CA-O 3.48Å; A545-Y553 PolarHBondContact N-O 2.83Å; A545-Y553 PolarHBondContact O-N 2.88Å; D547-Y553 HydrophobicContact CB-CE2 4.17Å; N551-Y553 HydrophobicContact CB-CD2 4.4Å; N551-Y553 HydrophobicContact CB-CE2 3.56Å; Y553-E562 WeakPolarHBondContact CD1-OE1 3.45Å; Y553-M563 WeakPolarHBondContact CA-O 3.41Å; Y553-V564 HydrophobicContact CD1-CB 4.42Å; Y553-V564 HydrophobicContact CD1-CG1 4.05Å; Y553-V564 HydrophobicContact CD1-CG2 3.77Å; Y553-V564 HydrophobicContact CE1-CB 4.49Å; Y553-V564 HydrophobicContact CE1-CG1 3.77Å; Y553-V564 HydrophobicContact CE1-CG2 3.93Å
554L96.3Very high92.3Very high0 Ų052.5 Ų52.50%031%0.308CS..EExtended strand (participates in β ladder)trans-128.4123.4178.6-54.3175.7000110.5L510 F518 L541 M543 L552 F556 M563 F565L510-L554 HydrophobicContact CD2-CD1 4.43Å; F518-L554 HydrophobicContact CD1-CD1 4.1Å; F518-L554 HydrophobicContact CE1-CD1 3.96Å; L541-L554 HydrophobicContact CD1-CB 4.17Å; L541-L554 HydrophobicContact CD1-CD2 4.03Å; M543-L554 WeakPolarHBondContact O-CA 3.12Å; L552-L554 HydrophobicContact CD1-CD2 4.21Å; L552-L554 HydrophobicContact CD2-CD1 4.16Å; L552-L554 HydrophobicContact CD2-CD2 4.29Å; L552-L554 HydrophobicContact CD2-CG 4.28Å; L552-L554 HydrophobicContact CG-CD2 4.1Å; L552-L554 HydrophobicContact CG-CG 4.15Å; L554-F556 HydrophobicContact CB-CD2 4.49Å; L554-F556 HydrophobicContact CB-CE2 3.7Å; L554-F556 HydrophobicContact CB-CZ 3.9Å; L554-F556 HydrophobicContact CD1-CE2 4.26Å; L554-F556 HydrophobicContact CD1-CZ 3.96Å; L554-M563 PolarHBondContact N-O 2.73Å; L554-M563 WeakPolarHBondContact O-CB 3.34Å; L554-M563 PolarHBondContact O-N 3.35Å; L554-F565 HydrophobicContact CB-CE2 4.15Å; L554-F565 HydrophobicContact CD1-CD2 4.16Å; L554-F565 HydrophobicContact CD1-CE2 3.79Å; L554-F565 HydrophobicContact CG-CD2 4.31Å; L554-F565 HydrophobicContact CG-CE2 4.09Å
555D95.4Very high92.4Very high34 Ų3449.8 Ų49.818%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-107.5129.8170.5171.227.4000110K542 M543 A557K542-D555 WeakPolarHBondContact CB-OD2 3.39Å; K542-D555 PolarHBondContact N-O 2.88Å; M543-D555 HydrophobicContact CB-CB 3.88Å; M543-D555 PolarHBondContact N-O 2.82Å; M543-D555 PolarHBondContact O-N 2.97Å; D555-A557 PolarHBondContact OD1-N 3.3Å
556F94.1Very high92.5Very high4 Ų449.3 Ų49.32%0.01828%0.281CS..  trans-112.77.8-179.9-63.4-73000113.8F518 Y536 K540 L541 L554 G558 M563F518-F556 HydrophobicContact CB-CE1 4.45Å; F518-F556 HydrophobicContact CB-CZ 4.11Å; F518-F556 HydrophobicContact CD1-CZ 4.18Å; F518-F556 AromaticContact CD2-CE1 3.44Å; F518-F556 HydrophobicContact CD2-CE1 3.44Å; F518-F556 VanDerWaalsContact CD2-CE1 3.44Å; F518-F556 AromaticContact CD2-CZ 3.74Å; F518-F556 HydrophobicContact CD2-CZ 3.74Å; F518-F556 AromaticContact CE2-CE1 3.73Å; F518-F556 HydrophobicContact CE2-CE1 3.73Å; F518-F556 HydrophobicContact CE2-CZ 4.16Å; F518-F556 AromaticContact CG-CE1 3.95Å; F518-F556 HydrophobicContact CG-CE1 3.95Å; F518-F556 AromaticContact CG-CZ 3.75Å; F518-F556 HydrophobicContact CG-CZ 3.75Å; F518-F556 HydrophobicContact CZ-CE1 4.43Å; Y536-F556 VanDerWaalsContact CB-CD1 3.44Å; Y536-F556 HydrophobicContact CD1-CB 3.76Å; Y536-F556 HydrophobicContact CD1-CD1 4.34Å; Y536-F556 HydrophobicContact CD1-CD2 4.43Å; Y536-F556 AromaticContact CD1-CG 3.94Å; Y536-F556 HydrophobicContact CD1-CG 3.94Å; Y536-F556 HydrophobicContact CD2-CB 4.26Å; Y536-F556 HydrophobicContact CD2-CD1 4.04Å; Y536-F556 AromaticContact CD2-CD2 3.37Å; Y536-F556 HydrophobicContact CD2-CD2 3.37Å; Y536-F556 HydrophobicContact CD2-CE1 4.21Å; Y536-F556 AromaticContact CD2-CE2 3.57Å; Y536-F556 HydrophobicContact CD2-CE2 3.57Å; Y536-F556 AromaticContact CD2-CG 3.62Å; Y536-F556 HydrophobicContact CD2-CG 3.62Å; Y536-F556 AromaticContact CD2-CZ 3.99Å; Y536-F556 HydrophobicContact CD2-CZ 3.99Å; Y536-F556 HydrophobicContact CE1-CB 4.01Å; Y536-F556 HydrophobicContact CE1-CG 4.41Å; Y536-F556 HydrophobicContact CE2-CB 4.47Å; Y536-F556 AromaticContact CE2-CD2 3.63Å; Y536-F556 HydrophobicContact CE2-CD2 3.63Å; Y536-F556 HydrophobicContact CE2-CE2 4.06Å; Y536-F556 HydrophobicContact CE2-CG 4.11Å; Y536-F556 HydrophobicContact CG-CB 3.9Å; Y536-F556 AromaticContact CG-CD1 3.7Å; Y536-F556 HydrophobicContact CG-CD1 3.7Å; Y536-F556 AromaticContact CG-CD2 3.82Å; Y536-F556 HydrophobicContact CG-CD2 3.82Å; Y536-F556 HydrophobicContact CG-CE1 4.14Å; Y536-F556 HydrophobicContact CG-CE2 4.24Å; Y536-F556 AromaticContact CG-CG 3.52Å; Y536-F556 HydrophobicContact CG-CG 3.52Å; Y536-F556 HydrophobicContact CG-CZ 4.38Å; K540-F556 HydrophobicContact CB-CD1 4.39Å; K540-F556 CarbonylContact O-C 3.37Å; K540-F556 WeakPolarHBondContact O-CA 3.38Å; L541-F556 HydrophobicContact CB-CD1 4.24Å; L541-F556 HydrophobicContact CB-CE1 4.13Å; L541-F556 HydrophobicContact CD1-CD1 4.03Å; L541-F556 HydrophobicContact CD1-CE1 3.54Å; L541-F556 HydrophobicContact CD1-CZ 3.98Å; L541-F556 HydrophobicContact CG-CE1 4.45Å; L554-F556 HydrophobicContact CB-CD2 4.49Å; L554-F556 HydrophobicContact CB-CE2 3.7Å; L554-F556 HydrophobicContact CB-CZ 3.9Å; L554-F556 HydrophobicContact CD1-CE2 4.26Å; L554-F556 HydrophobicContact CD1-CZ 3.96Å; F556-G558 PolarHBondContact O-N 3.38Å; F556-M563 HydrophobicContact CD2-SD 3.93Å; F556-M563 HydrophobicContact CE2-SD 4.06Å
557A85.3Confident92.5Very high64 Ų6447.4 Ų47.453%0.52927%0.271SS..SBendtrans48.841.9-166.800000112.7K542 D555K542-A557 HydrophobicContact CG-CB 3.74Å; D555-A557 PolarHBondContact OD1-N 3.3Å
558G81.2Confident92.5Very high26 Ų2650.2 Ų50.227%0.26828%0.282SS..SBendtrans-96174.5171.300000112.1F556 E560 G561F556-G558 PolarHBondContact O-N 3.38Å; G558-E560 PolarHBondContact O-N 2.73Å; G558-G561 PolarHBondContact O-N 2.87Å
559P83.6Confident92.6Very high128 Ų12851.1 Ų51.183%0.83128%0.284SS*.THydrogen-bonded Turntrans-64.2-23.1174.928.5-35.2000113G561P559-G561 PolarHBondContact O-N 2.78Å
560E84.2Confident92.7Very high100 Ų10045.3 Ų45.347%0.46726%0.255SS..THydrogen-bonded Turntrans-68.3-18.2176.7-44.2-54.3136.700113.7F534 G558 M563F534-E560 HydrophobicContact CD1-CG 4.48Å; F534-E560 HydrophobicContact CE1-CG 3.74Å; F534-E560 HydrophobicContact CZ-CG 4.13Å; G558-E560 PolarHBondContact O-N 2.73Å; E560-M563 HydrophobicContact CB-CG 4.47Å
561G88.3Confident92.8Very high31 Ų3140.1 Ų40.132%0.3224%0.235SC..  trans68.8-141-173.800000113.7G558 P559G558-G561 PolarHBondContact O-N 2.87Å; P559-G561 PolarHBondContact O-N 2.78Å
562E94.3Very high92.7Very high97 Ų9740.4 Ų40.445%0.45324%0.235SC..EExtended strand (participates in β ladder)trans-76.6121.1175.8-176.7-179.690.700110.7Y553Y553-E562 WeakPolarHBondContact CD1-OE1 3.45Å
563M95Very high92.6Very high9 Ų941.9 Ų41.94%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-94.6121.7178.7-54.5-174.982.600110.1L503 I520 F534 Y536 Y553 L554 F556 E560 F565L503-M563 HydrophobicContact CD1-CB 4.32Å; L503-M563 HydrophobicContact CD1-CE 4.34Å; L503-M563 HydrophobicContact CD2-CE 3.7Å; I520-M563 HydrophobicContact CD1-CE 3.73Å; I520-M563 HydrophobicContact CD1-SD 4.1Å; F534-M563 HydrophobicContact CD2-CE 3.69Å; F534-M563 HydrophobicContact CE2-CE 3.63Å; F534-M563 HydrophobicContact CG-CE 4.29Å; F534-M563 HydrophobicContact CZ-CE 4.17Å; Y536-M563 HydrophobicContact CE2-SD 3.82Å; Y553-M563 WeakPolarHBondContact CA-O 3.41Å; L554-M563 PolarHBondContact N-O 2.73Å; L554-M563 WeakPolarHBondContact O-CB 3.34Å; L554-M563 PolarHBondContact O-N 3.35Å; F556-M563 HydrophobicContact CD2-SD 3.93Å; F556-M563 HydrophobicContact CE2-SD 4.06Å; E560-M563 HydrophobicContact CB-CG 4.47Å; M563-F565 HydrophobicContact CB-CD2 4.44Å; M563-F565 HydrophobicContact CB-CE2 3.52Å; M563-F565 HydrophobicContact CB-CZ 3.8Å; M563-F565 HydrophobicContact CE-CZ 4.21Å; M563-F565 HydrophobicContact SD-CZ 4.23Å
564V96.8Very high92.6Very high51 Ų5139.6 Ų39.631%0.30924%0.237SC..EExtended strand (participates in β ladder)trans-100.8117.2178.3-1680000110L503 N551 Y553L503-V564 WeakPolarHBondContact CD1-O 3.13Å; N551-V564 HydrophobicContact CB-CG1 4.23Å; Y553-V564 HydrophobicContact CD1-CB 4.42Å; Y553-V564 HydrophobicContact CD1-CG1 4.05Å; Y553-V564 HydrophobicContact CD1-CG2 3.77Å; Y553-V564 HydrophobicContact CE1-CB 4.49Å; Y553-V564 HydrophobicContact CE1-CG1 3.77Å; Y553-V564 HydrophobicContact CE1-CG2 3.93Å
565F97Very high92.5Very high0 Ų040.5 Ų40.50%024%0.243CC..EExtended strand (participates in β ladder)trans-105.9119.4177.2-57.9-92.1000110.1L503 L510 I520 N551 L552 L554 M563 L567L503-F565 HydrophobicContact CB-CD1 4.27Å; L503-F565 HydrophobicContact CB-CE1 4.35Å; L503-F565 HydrophobicContact CD1-CD1 4.37Å; L503-F565 HydrophobicContact CD1-CE1 4.13Å; L503-F565 HydrophobicContact CD1-CZ 4.32Å; L503-F565 HydrophobicContact CD2-CE1 3.93Å; L503-F565 HydrophobicContact CD2-CZ 4.41Å; L503-F565 HydrophobicContact CG-CE1 4.36Å; L510-F565 HydrophobicContact CB-CD1 4.49Å; L510-F565 HydrophobicContact CD1-CE1 4.31Å; L510-F565 HydrophobicContact CD1-CZ 4.48Å; L510-F565 HydrophobicContact CD2-CD1 4.2Å; L510-F565 HydrophobicContact CD2-CD2 4.46Å; L510-F565 HydrophobicContact CD2-CG 4.18Å; I520-F565 HydrophobicContact CD1-CE1 3.67Å; I520-F565 HydrophobicContact CD1-CZ 3.46Å; I520-F565 VanDerWaalsContact CD1-CZ 3.46Å; I520-F565 HydrophobicContact CG1-CE1 4.15Å; I520-F565 HydrophobicContact CG1-CZ 4.31Å; N551-F565 WeakPolarHBondContact CA-O 3.31Å; L552-F565 HydrophobicContact CB-CB 4.42Å; L552-F565 PolarHBondContact N-O 3.19Å; L552-F565 PolarHBondContact O-N 3.11Å; L554-F565 HydrophobicContact CB-CE2 4.15Å; L554-F565 HydrophobicContact CD1-CD2 4.16Å; L554-F565 HydrophobicContact CD1-CE2 3.79Å; L554-F565 HydrophobicContact CG-CD2 4.31Å; L554-F565 HydrophobicContact CG-CE2 4.09Å; M563-F565 HydrophobicContact CB-CD2 4.44Å; M563-F565 HydrophobicContact CB-CE2 3.52Å; M563-F565 HydrophobicContact CB-CZ 3.8Å; M563-F565 HydrophobicContact CE-CZ 4.21Å; M563-F565 HydrophobicContact SD-CZ 4.23Å; F565-L567 HydrophobicContact CB-CD2 3.88Å; F565-L567 PolarHBondContact O-N 3.4Å
566D96.6Very high92.6Very high31 Ų3139.8 Ų39.817%0.16624%0.238CC..EExtended strand (participates in β ladder)trans-86104.1171.8-172.3-7000109.2C501 T502 R550 H568C501-D566 CarbonylContact C-O 3.52Å; C501-D566 WeakPolarHBondContact CA-O 3.48Å; C501-D566 WeakPolarHBondContact CB-O 3.28Å; T502-D566 PolarHBondContact N-O 2.77Å; T502-D566 PolarHBondContact O-N 2.9Å; R550-D566 IonicContact CZ-OD1 3.48Å; R550-D566 IonicContact CZ-OD2 3.39Å; R550-D566 VanDerWaalsContact CZ-OD2 3.27Å; R550-D566 IonicContact NE-OD1 2.74Å; R550-D566 PolarHBondContact NE-OD1 2.84Å; R550-D566 IonicContact NE-OD2 2.78Å; R550-D566 PolarHBondContact NE-OD2 3.05Å; R550-D566 VanDerWaalsContact NH2-CG 3.31Å; R550-D566 IonicContact NH2-OD1 3.76Å; R550-D566 PolarHBondContact NH2-OD1 2.71Å; R550-D566 IonicContact NH2-OD2 3.17Å; R550-D566 PolarHBondContact NH2-OD2 3.34Å; D566-H568 VanDerWaalsContact C-N 3.28Å; D566-H568 PolarHBondContact O-N 3.46Å; D566-H568 PolarHBondContact OD1-N 2.98Å
567L94.8Very high92.7Very high3 Ų340 Ų402%0.01624%0.24CC..  trans-87.26.2-172.4-56-174.5000113.6I499 C501 R550 L552 F565 S569 P571 V574I499-L567 HydrophobicContact CD1-CB 4.14Å; I499-L567 HydrophobicContact CD1-CD1 4.41Å; I499-L567 HydrophobicContact CD1-CD2 4.38Å; I499-L567 HydrophobicContact CG2-CD2 4.08Å; C501-L567 HydrophobicContact CB-CD2 3.52Å; R550-L567 WeakPolarHBondContact O-CB 3.22Å; R550-L567 PolarHBondContact O-N 2.8Å; L552-L567 HydrophobicContact CB-CD1 3.82Å; L552-L567 HydrophobicContact CB-CG 4.19Å; L552-L567 HydrophobicContact CD2-CD1 4.22Å; F565-L567 HydrophobicContact CB-CD2 3.88Å; F565-L567 PolarHBondContact O-N 3.4Å; L567-S569 PolarHBondContact O-N 2.86Å; L567-S569 PolarHBondContact O-OG 2.98Å; L567-P571 HydrophobicContact CD1-CB 3.83Å; L567-V574 HydrophobicContact CD1-CB 4.31Å; L567-V574 HydrophobicContact CD1-CG2 3.87Å
568H93.1Very high93.2Very high116 Ų11637.2 Ų37.254%0.53722%0.216SC..SBendtrans55.66.2-176.6-54.5113.8000115.5T502 D566T502-H568 PolarHBondContact OG1-CE1 3.31Å; T502-H568 VanDerWaalsContact OG1-CE1 3.3Å; T502-H568 PolarHBondContact OG1-NE2 3.34Å; D566-H568 VanDerWaalsContact C-N 3.28Å; D566-H568 PolarHBondContact O-N 3.46Å; D566-H568 PolarHBondContact OD1-N 2.98Å
569S93.3Very high93.8Very high46 Ų4639.1 Ų39.132%0.32222%0.218SC..SBendtrans-165.3162-168.960.90000109.9I549 R550 L567I549-S569 CarbonylContact O-C 3.54Å; R550-S569 WeakPolarHBondContact CA-O 3.36Å; L567-S569 PolarHBondContact O-N 2.86Å; L567-S569 PolarHBondContact O-OG 2.98Å
570G93.1Very high94.4Very high4 Ų433.2 Ų33.24%0.04118%0.18CC..  trans-52.7125.6-177.800000112.5G460 I549 K572 P573G460-G570 PolarHBondContact O-N 3.35Å; I549-G570 WeakPolarHBondContact O-CA 3.33Å; I549-G570 PolarHBondContact O-N 3.24Å; G570-K572 PolarHBondContact O-N 2.81Å; G570-K572 VanDerWaalsContact O-N 3.1Å; G570-P573 WeakPolarHBondContact O-CD 3.22Å
571P95.5Very high95Very high0 Ų028.5 Ų28.50%016%0.157CC..SBendtrans-71.6-7.1-171.127.6-37.6000115D546 L552 L567 P573 V574 V575D546-P571 HydrophobicContact CB-CB 4.01Å; D546-P571 HydrophobicContact CB-CG 3.66Å; D546-P571 VanDerWaalsContact OD1-CG 3.26Å; D546-P571 WeakPolarHBondContact OD1-CG 3.19Å; L552-P571 HydrophobicContact CB-CB 4.33Å; L567-P571 HydrophobicContact CD1-CB 3.83Å; P571-P573 VanDerWaalsContact C-CD 3.41Å; P571-V574 PolarHBondContact O-N 3.14Å; P571-V575 WeakPolarHBondContact O-CG2 3.45Å; P571-V575 PolarHBondContact O-N 3.33Å; P571-V575 VanDerWaalsContact O-N 3.1Å
572K95.3Very high95.2Very high39 Ų3929.4 Ų29.417%0.1716%0.155CC..Hα-helixtrans-59.6-35.9-172.7-56.5-53.6-163.5-163.90115.4G462 I463 D546 G570 V574 V575 F576G462-K572 VanDerWaalsContact O-CB 3.3Å; G462-K572 WeakPolarHBondContact O-CB 3.26Å; I463-K572 HydrophobicContact CD1-CD 4.14Å; I463-K572 HydrophobicContact CD1-CG 4.31Å; I463-K572 HydrophobicContact CG1-CB 4.1Å; I463-K572 HydrophobicContact CG1-CD 4.12Å; I463-K572 HydrophobicContact CG1-CG 3.72Å; D546-K572 WeakPolarHBondContact OD1-CE 3.45Å; D546-K572 IonicContact OD1-NZ 3.29Å; D546-K572 PolarHBondContact OD1-NZ 2.95Å; D546-K572 IonicContact OD2-NZ 2.64Å; D546-K572 PolarHBondContact OD2-NZ 3.33Å; G570-K572 PolarHBondContact O-N 2.81Å; G570-K572 VanDerWaalsContact O-N 3.1Å; K572-V574 PolarHBondContact O-N 3.07Å; K572-V575 PolarHBondContact O-N 3.48Å; K572-F576 WeakPolarHBondContact O-CB 3.24Å; K572-F576 WeakPolarHBondContact O-CD1 3.2Å; K572-F576 WeakPolarHBondContact O-CG 3.47Å; K572-F576 PolarHBondContact O-N 2.87Å
573P95.4Very high95.2Very high36 Ų3626.6 Ų26.623%0.23415%0.146CC..Hα-helixtrans-59.5-45.8173.9-17.528.7000111.8A432 G458 G570 P571 F576 V577A432-P573 HydrophobicContact CB-CB 4.49Å; G458-P573 WeakPolarHBondContact O-CG 3.41Å; G570-P573 WeakPolarHBondContact O-CD 3.22Å; P571-P573 VanDerWaalsContact C-CD 3.41Å; P573-F576 PolarHBondContact O-N 3.02Å; P573-V577 WeakPolarHBondContact O-CB 3.42Å; P573-V577 VanDerWaalsContact O-CG2 3.24Å; P573-V577 WeakPolarHBondContact O-CG2 3.36Å; P573-V577 PolarHBondContact O-N 2.79Å
574V95.8Very high95.1Very high13 Ų1326.3 Ų26.38%0.07915%0.145CC..Hα-helixtrans-66.6-43.1-179.2-174.20000110.8I499 L512 L552 L567 P571 K572 F576 V577 L578I499-V574 HydrophobicContact CD1-CG2 3.86Å; I499-V574 HydrophobicContact CG2-CG2 4.19Å; L512-V574 HydrophobicContact CD1-CG1 3.91Å; L512-V574 HydrophobicContact CD2-CG1 3.85Å; L552-V574 HydrophobicContact CD2-CB 4.48Å; L552-V574 HydrophobicContact CD2-CG1 3.85Å; L567-V574 HydrophobicContact CD1-CB 4.31Å; L567-V574 HydrophobicContact CD1-CG2 3.87Å; P571-V574 PolarHBondContact O-N 3.14Å; K572-V574 PolarHBondContact O-N 3.07Å; V574-F576 VanDerWaalsContact C-N 3.28Å; V574-F576 PolarHBondContact O-N 3.44Å; V574-V577 PolarHBondContact O-N 3.21Å; V574-L578 WeakPolarHBondContact O-CB 3.41Å; V574-L578 PolarHBondContact O-N 3.2Å
575V95.1Very high94.8Very high19 Ų1925 Ų2512%0.11514%0.135CC..Hα-helixtrans-60.8-36.9174174.60000111.4D546 L552 P571 K572 H579D546-V575 HydrophobicContact CB-CG2 4.12Å; L552-V575 HydrophobicContact CD1-CG2 3.72Å; P571-V575 WeakPolarHBondContact O-CG2 3.45Å; P571-V575 PolarHBondContact O-N 3.33Å; P571-V575 VanDerWaalsContact O-N 3.1Å; K572-V575 PolarHBondContact O-N 3.48Å; V575-H579 PolarHBondContact O-N 3.49Å; V575-H579 PolarHBondContact O-ND1 3Å
576F96.6Very high94.5Very high19 Ų1928 Ų288%0.08315%0.151CC..Hα-helixtrans-75.6-42.2179.4-80.544.6000111.2L431 A432 R434 R456 I463 K572 P573 V574 L578 H579 S580L431-F576 CarbonylContact O-C 3.24Å; L431-F576 VanDerWaalsContact O-C 3.23Å; A432-F576 WeakPolarHBondContact O-CD2 3.43Å; R434-F576 HydrophobicContact CB-CD2 4.27Å; R434-F576 HydrophobicContact CB-CE2 4.24Å; R434-F576 HydrophobicContact CG-CD2 3.69Å; R434-F576 HydrophobicContact CG-CE2 4.09Å; R434-F576 HydrophobicContact CG-CG 4.36Å; R456-F576 HydrophobicContact CB-CE2 4.06Å; R456-F576 HydrophobicContact CB-CZ 4.48Å; R456-F576 WeakPolarHBondContact O-CE2 3.36Å; I463-F576 HydrophobicContact CD1-CE1 4.16Å; I463-F576 HydrophobicContact CD1-CZ 4.04Å; I463-F576 HydrophobicContact CG1-CZ 4.36Å; I463-F576 HydrophobicContact CG2-CZ 4.07Å; K572-F576 WeakPolarHBondContact O-CB 3.24Å; K572-F576 WeakPolarHBondContact O-CD1 3.2Å; K572-F576 WeakPolarHBondContact O-CG 3.47Å; K572-F576 PolarHBondContact O-N 2.87Å; P573-F576 PolarHBondContact O-N 3.02Å; V574-F576 VanDerWaalsContact C-N 3.28Å; V574-F576 PolarHBondContact O-N 3.44Å; F576-L578 VanDerWaalsContact C-N 3.32Å; F576-L578 PolarHBondContact O-N 3.1Å; F576-H579 PolarHBondContact O-N 3.22Å; F576-H579 VanDerWaalsContact O-N 3.16Å; F576-S580 PolarHBondContact O-N 3.47Å; F576-S580 PolarHBondContact O-OG 3.2Å; F576-S580 VanDerWaalsContact O-OG 3.07Å
577V97.2Very high94.1Very high9 Ų929.1 Ų29.16%0.05516%0.159CC..Hα-helixtrans-56.1-44.9172.3168.90000111.5L431 V497 L512 P573 V574 H579 S580 F581L431-V577 HydrophobicContact CB-CG2 3.87Å; L431-V577 WeakPolarHBondContact O-CA 3.22Å; L431-V577 PolarHBondContact O-N 3.41Å; V497-V577 HydrophobicContact CB-CG1 4Å; V497-V577 HydrophobicContact CG2-CG1 3.87Å; V497-V577 HydrophobicContact CG2-CG2 4.42Å; L512-V577 HydrophobicContact CD2-CG1 4.21Å; P573-V577 WeakPolarHBondContact O-CB 3.42Å; P573-V577 VanDerWaalsContact O-CG2 3.24Å; P573-V577 WeakPolarHBondContact O-CG2 3.36Å; P573-V577 PolarHBondContact O-N 2.79Å; V574-V577 PolarHBondContact O-N 3.21Å; V577-H579 PolarHBondContact O-N 3.21Å; V577-S580 PolarHBondContact O-N 2.98Å; V577-F581 HydrophobicContact CG1-CD2 3.79Å; V577-F581 HydrophobicContact CG1-CE2 3.51Å; V577-F581 HydrophobicContact CG1-CZ 4.03Å; V577-F581 PolarHBondContact O-N 2.86Å
578L95.6Very high93.8Very high5 Ų534.8 Ų34.83%0.02618%0.18CC..Hα-helixtrans-55.5-49.4175.1173.755.8000111.7L512 F518 Y538 L541 V574 F576 S580 L582L512-L578 HydrophobicContact CD2-CB 3.88Å; F518-L578 HydrophobicContact CE1-CD1 4.2Å; F518-L578 HydrophobicContact CE2-CD1 4.45Å; F518-L578 HydrophobicContact CZ-CD1 3.57Å; F518-L578 HydrophobicContact CZ-CD2 4.23Å; Y538-L578 HydrophobicContact CD1-CD1 4.02Å; Y538-L578 HydrophobicContact CE1-CD1 3.6Å; L541-L578 HydrophobicContact CD2-CD2 4.24Å; V574-L578 WeakPolarHBondContact O-CB 3.41Å; V574-L578 PolarHBondContact O-N 3.2Å; F576-L578 VanDerWaalsContact C-N 3.32Å; F576-L578 PolarHBondContact O-N 3.1Å; L578-S580 VanDerWaalsContact C-N 3.34Å; L578-S580 PolarHBondContact O-N 2.78Å; L578-L582 HydrophobicContact CD1-CD1 3.74Å; L578-L582 HydrophobicContact CD1-CG 4.12Å; L578-L582 HydrophobicContact CG-CD1 4.07Å; L578-L582 WeakPolarHBondContact O-CB 3.48Å; L578-L582 VanDerWaalsContact O-CG 3.31Å; L578-L582 WeakPolarHBondContact O-CG 3.39Å; L578-L582 PolarHBondContact O-N 3.05Å
579H93.7Very high93.5Very high66 Ų6633.9 Ų33.931%0.30618%0.177SC..Hα-helixtrans-64.9-36.3177.2-71.3113.1000113R434 V575 F576 V577 S583R434-H579 PolarHBondContact NH1-CD2 3.25Å; R434-H579 PolarHBondContact NH1-ND1 3.44Å; V575-H579 PolarHBondContact O-N 3.49Å; V575-H579 PolarHBondContact O-ND1 3Å; F576-H579 PolarHBondContact O-N 3.22Å; F576-H579 VanDerWaalsContact O-N 3.16Å; V577-H579 PolarHBondContact O-N 3.21Å; H579-S583 VanDerWaalsContact O-CB 3.25Å; H579-S583 WeakPolarHBondContact O-CB 3.4Å; H579-S583 PolarHBondContact O-N 3.07Å
580S96.1Very high93Very high4 Ų434.2 Ų34.23%0.02819%0.188CC..Hα-helixtrans-67-46178.2-640000111.7L431 F576 V577 L578 S583 A584L431-S580 WeakPolarHBondContact O-CB 3.45Å; L431-S580 PolarHBondContact O-OG 2.88Å; F576-S580 PolarHBondContact O-N 3.47Å; F576-S580 PolarHBondContact O-OG 3.2Å; F576-S580 VanDerWaalsContact O-OG 3.07Å; V577-S580 PolarHBondContact O-N 2.98Å; L578-S580 VanDerWaalsContact C-N 3.34Å; L578-S580 PolarHBondContact O-N 2.78Å; S580-S583 PolarHBondContact O-N 3.37Å; S580-A584 WeakPolarHBondContact O-CB 3.26Å; S580-A584 PolarHBondContact O-N 2.84Å
581F96.6Very high92.2Very high0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-62.7-44.9173.5-73-27.1000112.4L431 A491 V497 L512 Y514 V577 K585L431-F581 HydrophobicContact CD1-CE1 3.69Å; L431-F581 HydrophobicContact CD1-CZ 3.96Å; L431-F581 HydrophobicContact CD2-CD1 4.44Å; L431-F581 HydrophobicContact CD2-CE1 4.28Å; A491-F581 HydrophobicContact CB-CD1 3.78Å; A491-F581 HydrophobicContact CB-CE1 4.14Å; V497-F581 HydrophobicContact CG2-CE2 4.43Å; V497-F581 HydrophobicContact CG2-CZ 4.07Å; L512-F581 HydrophobicContact CB-CD2 4.22Å; L512-F581 HydrophobicContact CB-CE2 3.99Å; L512-F581 WeakPolarHBondContact O-CE2 3.4Å; Y514-F581 HydrophobicContact CD2-CB 4.2Å; Y514-F581 AromaticContact CD2-CD1 3.97Å; Y514-F581 HydrophobicContact CD2-CD1 3.97Å; Y514-F581 HydrophobicContact CD2-CG 4.35Å; Y514-F581 HydrophobicContact CG-CD1 4.26Å; V577-F581 HydrophobicContact CG1-CD2 3.79Å; V577-F581 HydrophobicContact CG1-CE2 3.51Å; V577-F581 HydrophobicContact CG1-CZ 4.03Å; V577-F581 PolarHBondContact O-N 2.86Å; F581-K585 VanDerWaalsContact O-CB 3.25Å; F581-K585 WeakPolarHBondContact O-CB 3.43Å; F581-K585 PolarHBondContact O-N 3.07Å
582L93.1Very high90.9Very high50 Ų5043.5 Ų43.526%0.26224%0.235SC..Hα-helixtrans-62.5-44.6176.7-75171.7000111.9Y538 L578 K585 L586Y538-L582 HydrophobicContact CD1-CD2 3.62Å; Y538-L582 HydrophobicContact CD1-CG 4.15Å; Y538-L582 HydrophobicContact CE1-CD2 4.26Å; Y538-L582 HydrophobicContact CE1-CG 4.39Å; Y538-L582 HydrophobicContact CG-CD2 3.81Å; L578-L582 HydrophobicContact CD1-CD1 3.74Å; L578-L582 HydrophobicContact CD1-CG 4.12Å; L578-L582 HydrophobicContact CG-CD1 4.07Å; L578-L582 WeakPolarHBondContact O-CB 3.48Å; L578-L582 VanDerWaalsContact O-CG 3.31Å; L578-L582 WeakPolarHBondContact O-CG 3.39Å; L578-L582 PolarHBondContact O-N 3.05Å; L582-K585 PolarHBondContact O-N 3.21Å; L582-L586 WeakPolarHBondContact O-CB 3.41Å; L582-L586 VanDerWaalsContact O-CG 3.22Å; L582-L586 WeakPolarHBondContact O-CG 3.49Å; L582-L586 PolarHBondContact O-N 3.43Å
583S93.3Very high88.6Confident38 Ų3851.6 Ų51.627%0.26629%0.289SS..Hα-helixtrans-61.2-49.9177.4176.70000111.7H488 H579 S580 K585 L586 T587H488-S583 PolarHBondContact NE2-OG 3.24Å; H579-S583 VanDerWaalsContact O-CB 3.25Å; H579-S583 WeakPolarHBondContact O-CB 3.4Å; H579-S583 PolarHBondContact O-N 3.07Å; S580-S583 PolarHBondContact O-N 3.37Å; S583-K585 PolarHBondContact O-N 3.36Å; S583-L586 PolarHBondContact O-N 2.89Å; S583-T587 PolarHBondContact O-N 3.36Å; S583-T587 PolarHBondContact O-OG1 3.48Å
584A93.8Very high88.3Confident3 Ų352.4 Ų52.43%0.02529%0.291CS..Hα-helixtrans-60.7-43.8178.400000111.7H488 A491 Y514 S580 L586 T587 R588H488-A584 HydrophobicContact CB-CB 4.19Å; A491-A584 HydrophobicContact CB-CB 3.75Å; Y514-A584 HydrophobicContact CE2-CB 3.74Å; S580-A584 WeakPolarHBondContact O-CB 3.26Å; S580-A584 PolarHBondContact O-N 2.84Å; A584-L586 PolarHBondContact O-N 2.91Å; A584-T587 PolarHBondContact O-N 2.93Å; A584-R588 VanDerWaalsContact O-CB 3.3Å; A584-R588 WeakPolarHBondContact O-CB 3.44Å; A584-R588 PolarHBondContact O-N 2.87Å
585K90.7Very high87.9Confident24 Ų2454.5 Ų54.510%0.10430%0.303CS..Hα-helixtrans-63.4-42.5178.7-177.1178.1168.2-175.80111.2Y514 Y538 E539 F581 L582 S583 M589Y514-K585 HydrophobicContact CD2-CB 4.49Å; Y514-K585 HydrophobicContact CE2-CB 3.94Å; Y538-K585 HydrophobicContact CD2-CD 4.32Å; E539-K585 IonicContact OE1-NZ 4Å; E539-K585 PolarHBondContact OE1-NZ 2.82Å; E539-K585 IonicContact OE2-NZ 2.93Å; F581-K585 VanDerWaalsContact O-CB 3.25Å; F581-K585 WeakPolarHBondContact O-CB 3.43Å; F581-K585 PolarHBondContact O-N 3.07Å; L582-K585 PolarHBondContact O-N 3.21Å; S583-K585 PolarHBondContact O-N 3.36Å; K585-M589 HydrophobicContact CG-CE 4.01Å; K585-M589 HydrophobicContact CG-SD 4.35Å; K585-M589 VanDerWaalsContact O-CG 3.27Å; K585-M589 WeakPolarHBondContact O-CG 3.19Å; K585-M589 PolarHBondContact O-N 2.67Å; K585-M589 VanDerWaalsContact O-N 3.1Å
586L89.6Confident87.5Confident64 Ų6456.4 Ų56.434%0.33531%0.313SS..Hα-helixtrans-67.6-44.5177.8-72.2170.4000112.7L582 S583 A584 M589 G590 L591 L592L582-L586 WeakPolarHBondContact O-CB 3.41Å; L582-L586 VanDerWaalsContact O-CG 3.22Å; L582-L586 WeakPolarHBondContact O-CG 3.49Å; L582-L586 PolarHBondContact O-N 3.43Å; S583-L586 PolarHBondContact O-N 2.89Å; A584-L586 PolarHBondContact O-N 2.91Å; L586-M589 HydrophobicContact CD2-CE 4Å; L586-M589 CarbonylContact O-C 3.56Å; L586-M589 PolarHBondContact O-N 3.06Å; L586-G590 PolarHBondContact O-N 2.87Å; L586-L591 HydrophobicContact CD2-CB 4.2Å; L586-L591 HydrophobicContact CD2-CD1 3.93Å; L586-L591 PolarHBondContact O-N 3Å; L586-L592 HydrophobicContact CB-CD1 3.65Å; L586-L592 HydrophobicContact CB-CG 3.94Å; L586-L592 HydrophobicContact CD1-CD1 4.14Å
587T88.9Confident87Confident54 Ų5458.6 Ų58.633%0.33133%0.327SS..Hα-helixtrans-61.9-42.9174.7-66.50000111.2H488 S583 A584 M589 G590H488-T587 PolarHBondContact CE1-OG1 2.84Å; S583-T587 PolarHBondContact O-N 3.36Å; S583-T587 PolarHBondContact O-OG1 3.48Å; A584-T587 PolarHBondContact O-N 2.93Å; T587-M589 VanDerWaalsContact C-N 3.25Å; T587-M589 PolarHBondContact O-N 2.72Å; T587-G590 PolarHBondContact O-N 3.13Å
588R88.8Confident86.3Confident122 Ų12261.8 Ų61.846%0.4634%0.344SS..Hα-helixtrans-63.2-29175.9-167.6178.476.6170.27.3113.5E492 E515 A584 G590E492-R588 WeakPolarHBondContact OE1-CD 3.43Å; E492-R588 IonicContact OE1-CZ 2.8Å; E492-R588 IonicContact OE1-NE 3.92Å; E492-R588 IonicContact OE1-NH1 3.23Å; E492-R588 PolarHBondContact OE1-NH1 2.98Å; E515-R588 IonicContact OE1-CZ 3.21Å; E515-R588 VanDerWaalsContact OE1-CZ 3.24Å; E515-R588 IonicContact OE1-NH1 3.52Å; E515-R588 PolarHBondContact OE1-NH1 2.81Å; E515-R588 IonicContact OE1-NH2 3.75Å; E515-R588 PolarHBondContact OE1-NH2 2.86Å; A584-R588 VanDerWaalsContact O-CB 3.3Å; A584-R588 WeakPolarHBondContact O-CB 3.44Å; A584-R588 PolarHBondContact O-N 2.87Å; R588-G590 VanDerWaalsContact C-N 3.28Å
589M86.3Confident85.7Confident96 Ų9665.5 Ų65.547%0.47337%0.365SS..THydrogen-bonded Turntrans-85.25173.6-66.5-176.8-4900113.4K585 L586 T587 L591K585-M589 HydrophobicContact CG-CE 4.01Å; K585-M589 HydrophobicContact CG-SD 4.35Å; K585-M589 VanDerWaalsContact O-CG 3.27Å; K585-M589 WeakPolarHBondContact O-CG 3.19Å; K585-M589 PolarHBondContact O-N 2.67Å; K585-M589 VanDerWaalsContact O-N 3.1Å; L586-M589 HydrophobicContact CD2-CE 4Å; L586-M589 CarbonylContact O-C 3.56Å; L586-M589 PolarHBondContact O-N 3.06Å; T587-M589 VanDerWaalsContact C-N 3.25Å; T587-M589 PolarHBondContact O-N 2.72Å; M589-L591 HydrophobicContact CB-CD1 4.35Å; M589-L591 HydrophobicContact CB-CG 4.11Å; M589-L591 HydrophobicContact CE-CD1 4.05Å; M589-L591 PolarHBondContact O-N 2.78Å
590G83.1Confident85.1Confident54 Ų5465.5 Ų65.556%0.55737%0.369SS*.THydrogen-bonded Turntrans69.915.5-17900000114.5L586 T587 R588L586-G590 PolarHBondContact O-N 2.87Å; T587-G590 PolarHBondContact O-N 3.13Å; R588-G590 VanDerWaalsContact C-N 3.28Å
591L77Confident84.3Confident117 Ų11770.2 Ų70.261%0.61340%0.395SS*.SBendtrans-91.4-3-178-57.3-175.6000113.5L586 M589L586-L591 HydrophobicContact CD2-CB 4.2Å; L586-L591 HydrophobicContact CD2-CD1 3.93Å; L586-L591 PolarHBondContact O-N 3Å; M589-L591 HydrophobicContact CB-CD1 4.35Å; M589-L591 HydrophobicContact CB-CG 4.11Å; M589-L591 HydrophobicContact CE-CD1 4.05Å; M589-L591 PolarHBondContact O-N 2.78Å
592L66.9Low83.3Confident81 Ų8176.1 Ų76.142%0.42443%0.428SS..  trans-137123.6171.1-67.7174.1000108.2L586L586-L592 HydrophobicContact CB-CD1 3.65Å; L586-L592 HydrophobicContact CB-CG 3.94Å; L586-L592 HydrophobicContact CD1-CD1 4.14Å
593T47.8Very low82.4Confident210 Ų21078.5 Ų78.5100%1.28844%0.443SS*.  trans-108017957.10000111.2

Retrieved 593 of 593 residues in 128.9 ms (Link to these results)

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