A0A087Y3A7_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087Y3A7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 824 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
1M31.7Very low61.8Low246 Ų246107 Ų107100%1.21257%0.571SS**  0119.50-71.9177167.300108.6
2S30.1Very low63.9Low124 Ų12498.4 Ų98.487%0.86753%0.525SS*.  trans-88105179.730.50000110.9
3Q37.1Very low65.5Low199 Ų19993.8 Ų93.893%0.9350%0.498SS*.  trans-64.7146.8154.1-66.7-179.1-12.600108.7
4G39Very low67Low74 Ų7490.4 Ų90.476%0.76348%0.483SS*.SBendtrans162.2-46.8163.700000117.4
5Q49.3Very low68.3Low161 Ų16186.5 Ų86.575%0.75247%0.465SS*.  trans-139.3115.7-172.1-66.1-171.9-1.800112.6F7Q5-F7 PolarHBondContact O-N 3.38Å
6N60.7Low69.7Low75 Ų7584.3 Ų84.340%0.40145%0.453SS..  trans-71.4112.4160.3-74.39.6000107.8L8 V67 A71N6-L8 VanDerWaalsContact C-N 3.27Å; N6-V67 PolarHBondContact ND2-O 3.32Å; N6-A71 HydrophobicContact CB-CB 4.42Å; N6-A71 PolarHBondContact ND2-N 3.4Å
7F80.4Confident70.7Confident92 Ų9282.1 Ų82.140%0.40444%0.441SS..  trans-67.4-26.517442.3-95.5000112.5Q5 F64 V67 E354Q5-F7 PolarHBondContact O-N 3.38Å; F7-F64 HydrophobicContact CE2-CE2 4.24Å; F7-F64 HydrophobicContact CZ-CE2 4.03Å; F7-V67 HydrophobicContact CE1-CG1 4.27Å; F7-V67 HydrophobicContact CE2-CG1 4.32Å; F7-V67 HydrophobicContact CZ-CG1 3.83Å; F7-E354 HydrophobicContact CD2-CB 3.67Å; F7-E354 HydrophobicContact CD2-CG 3.73Å; F7-E354 WeakPolarHBondContact CD2-OE2 3.48Å; F7-E354 HydrophobicContact CE2-CB 3.48Å; F7-E354 VanDerWaalsContact CE2-CB 3.48Å; F7-E354 HydrophobicContact CE2-CG 4.1Å
8L88.2Confident71.7Confident3 Ų383.8 Ų83.82%0.01645%0.45CS..SBendtrans-70.6137.6177.2-67.5174000112.3N6 V67 V68 A71 L350 V351 E354N6-L8 VanDerWaalsContact C-N 3.27Å; L8-V67 HydrophobicContact CD1-CG1 4.45Å; L8-V68 HydrophobicContact CD1-CB 4.2Å; L8-V68 HydrophobicContact CD1-CG2 3.65Å; L8-A71 HydrophobicContact CB-CB 3.76Å; L8-L350 HydrophobicContact CD2-CG 4.3Å; L8-V351 HydrophobicContact CD1-CG2 4.05Å; L8-V351 HydrophobicContact CD2-CG2 3.88Å; L8-E354 HydrophobicContact CD2-CB 4.21Å; L8-E354 HydrophobicContact CD2-CG 4.09Å
9P87.9Confident72.8Confident26 Ų2680.7 Ų80.717%0.16943%0.432CS..  trans-62139.8178.8-22.332000113.6F11 V14 Y347 L350P9-F11 VanDerWaalsContact C-N 3.27Å; P9-F11 PolarHBondContact O-N 3.21Å; P9-V14 HydrophobicContact CB-CB 3.79Å; P9-V14 HydrophobicContact CB-CG1 3.85Å; P9-V14 HydrophobicContact CG-CB 4.42Å; P9-V14 HydrophobicContact CG-CG1 4.16Å; P9-Y347 HydrophobicContact CB-CE2 4.45Å; P9-Y347 PolarHBondContact O-OH 3.23Å; P9-L350 VanDerWaalsContact CD-CD2 3.48Å; P9-L350 HydrophobicContact CG-CD2 3.68Å
10K88.2Confident73.7Confident132 Ų13276.8 Ų76.857%0.57441%0.411SS*.SBendtrans-72-15.6179.6-64.6179.6-178.2176.10114.7A71K10-A71 WeakPolarHBondContact CA-O 3.42Å
11F86.9Confident74.5Confident45 Ų4574.3 Ų74.320%0.19740%0.398CS..SBendtrans-135.5138.1-177.9-60.1-74.8000111P9 F13 V14 R100 N102P9-F11 VanDerWaalsContact C-N 3.27Å; P9-F11 PolarHBondContact O-N 3.21Å; F11-F13 VanDerWaalsContact C-N 3.31Å; F11-F13 HydrophobicContact CB-CD1 3.81Å; F11-F13 HydrophobicContact CB-CE1 3.43Å; F11-F13 VanDerWaalsContact CB-CE1 3.43Å; F11-F13 HydrophobicContact CB-CZ 3.84Å; F11-F13 HydrophobicContact CD1-CE1 4.33Å; F11-F13 HydrophobicContact CD2-CE1 4.39Å; F11-F13 HydrophobicContact CD2-CZ 4.24Å; F11-F13 AromaticContact CG-CE1 3.83Å; F11-F13 HydrophobicContact CG-CE1 3.83Å; F11-F13 HydrophobicContact CG-CZ 4.13Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-V14 HydrophobicContact CB-CG2 4.29Å; F11-V14 WeakPolarHBondContact O-CB 3.32Å; F11-V14 PolarHBondContact O-N 3.38Å; F11-V14 VanDerWaalsContact O-N 3.12Å; F11-R100 HydrophobicContact CD1-CB 4.07Å; F11-R100 HydrophobicContact CE1-CB 3.76Å; F11-N102 WeakPolarHBondContact CE1-OD1 3.32Å; F11-N102 WeakPolarHBondContact CZ-OD1 3.4Å
12L87.7Confident77.4Confident4 Ų467.8 Ų67.82%0.02136%0.363CS..G310 helixtrans-57.8-40.4-172.1-162.474.5000113.4V14 S15 L52 I72 L343 M344 Y347L12-V14 PolarHBondContact O-N 3.12Å; L12-V14 VanDerWaalsContact O-N 3.08Å; L12-S15 WeakPolarHBondContact O-CB 3.29Å; L12-S15 PolarHBondContact O-N 2.98Å; L12-S15 VanDerWaalsContact O-N 3.16Å; L12-S15 PolarHBondContact O-OG 3.33Å; L12-L52 HydrophobicContact CD2-CD1 4.1Å; L12-L52 HydrophobicContact CD2-CD2 4.12Å; L12-I72 HydrophobicContact CB-CD1 4.32Å; L12-I72 HydrophobicContact CD1-CD1 3.6Å; L12-L343 HydrophobicContact CD2-CB 3.7Å; L12-L343 HydrophobicContact CG-CB 3.85Å; L12-M344 HydrophobicContact CD1-CE 3.9Å; L12-M344 HydrophobicContact CD1-SD 3.67Å; L12-M344 HydrophobicContact CD2-CB 4.5Å; L12-M344 HydrophobicContact CD2-CE 3.95Å; L12-Y347 HydrophobicContact CD1-CD1 4.37Å; L12-Y347 HydrophobicContact CD1-CD2 4.11Å; L12-Y347 HydrophobicContact CD1-CG 3.78Å
13F83.8Confident80.5Confident38 Ų3861.9 Ų61.917%0.16732%0.322CS..G310 helixtrans-62.6-15.7-178.565.7-103.8000114.7F11 N16 L17 A20 L343F11-F13 VanDerWaalsContact C-N 3.31Å; F11-F13 HydrophobicContact CB-CD1 3.81Å; F11-F13 HydrophobicContact CB-CE1 3.43Å; F11-F13 VanDerWaalsContact CB-CE1 3.43Å; F11-F13 HydrophobicContact CB-CZ 3.84Å; F11-F13 HydrophobicContact CD1-CE1 4.33Å; F11-F13 HydrophobicContact CD2-CE1 4.39Å; F11-F13 HydrophobicContact CD2-CZ 4.24Å; F11-F13 AromaticContact CG-CE1 3.83Å; F11-F13 HydrophobicContact CG-CE1 3.83Å; F11-F13 HydrophobicContact CG-CZ 4.13Å; F11-F13 PolarHBondContact O-N 3.46Å; F13-N16 CarbonylContact O-C 3.51Å; F13-L17 HydrophobicContact CD2-CD2 4.1Å; F13-L17 PolarHBondContact O-N 3.45Å; F13-A20 HydrophobicContact CB-CB 3.72Å; F13-L343 HydrophobicContact CB-CD1 4.43Å
14V86.5Confident83.2Confident47 Ų4754.2 Ų54.229%0.28529%0.285SS..G310 helixtrans-78.2-23.9179.6-178.50000111.6P9 F11 L12 N16P9-V14 HydrophobicContact CB-CB 3.79Å; P9-V14 HydrophobicContact CB-CG1 3.85Å; P9-V14 HydrophobicContact CG-CB 4.42Å; P9-V14 HydrophobicContact CG-CG1 4.16Å; F11-V14 HydrophobicContact CB-CG2 4.29Å; F11-V14 WeakPolarHBondContact O-CB 3.32Å; F11-V14 PolarHBondContact O-N 3.38Å; F11-V14 VanDerWaalsContact O-N 3.12Å; L12-V14 PolarHBondContact O-N 3.12Å; L12-V14 VanDerWaalsContact O-N 3.08Å; V14-N16 VanDerWaalsContact C-N 3.26Å; V14-N16 PolarHBondContact O-N 3.07Å
15S87.5Confident85.8Confident32 Ų3254.3 Ų54.322%0.22427%0.265CS..THydrogen-bonded Turntrans-55.5-41.6173.460.10000112.2L12L12-S15 WeakPolarHBondContact O-CB 3.29Å; L12-S15 PolarHBondContact O-N 2.98Å; L12-S15 VanDerWaalsContact O-N 3.16Å; L12-S15 PolarHBondContact O-OG 3.33Å
16N89.6Confident88Confident50 Ų5051.2 Ų51.227%0.26725%0.247SC..THydrogen-bonded Turntrans-148.182.4180-169.8-16.9000111.1F13 V14 L18 K19 A20 L343 D346F13-N16 CarbonylContact O-C 3.51Å; V14-N16 VanDerWaalsContact C-N 3.26Å; V14-N16 PolarHBondContact O-N 3.07Å; N16-L18 PolarHBondContact O-N 3.28Å; N16-L18 VanDerWaalsContact O-N 3.12Å; N16-L18 PolarHBondContact OD1-N 2.87Å; N16-K19 HydrophobicContact CB-CB 4Å; N16-K19 VanDerWaalsContact CG-CB 3.44Å; N16-K19 WeakPolarHBondContact ND2-CB 3.49Å; N16-K19 PolarHBondContact O-N 2.91Å; N16-K19 VanDerWaalsContact O-N 3.11Å; N16-K19 PolarHBondContact OD1-N 3.01Å; N16-A20 PolarHBondContact O-N 2.85Å; N16-L343 HydrophobicContact CB-CD2 3.94Å; N16-D346 HydrophobicContact CB-CB 4.09Å; N16-D346 WeakPolarHBondContact CB-OD2 3.45Å; N16-D346 PolarHBondContact ND2-OD2 3.35Å
17L88.1Confident89.7Confident47 Ų4748 Ų4825%0.24623%0.23CC..Hα-helixtrans-54.4-31.4178.2-67.7171.4000112.8F13 V21 V711F13-L17 HydrophobicContact CD2-CD2 4.1Å; F13-L17 PolarHBondContact O-N 3.45Å; L17-V21 WeakPolarHBondContact O-CB 3.14Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.49Å; L17-V711 HydrophobicContact CD1-CG1 4.45Å
18L88.9Confident90.4Very high114 Ų11446.7 Ų46.760%0.59723%0.23SC*.Hα-helixtrans-72.3-43.8178.4-178.361.5000111.9N16 V21 K22N16-L18 PolarHBondContact O-N 3.28Å; N16-L18 VanDerWaalsContact O-N 3.12Å; N16-L18 PolarHBondContact OD1-N 2.87Å; L18-V21 PolarHBondContact O-N 3.25Å; L18-K22 WeakPolarHBondContact O-CG 3.31Å; L18-K22 PolarHBondContact O-N 2.84Å
19K91.7Very high90.8Very high25 Ų2552.4 Ų52.411%0.10926%0.261CS..Hα-helixtrans-63.7-43.2172.8-167.6-173.4-67.1-177.80110.3N16 V21 K22 I23 E339 D340 N342 L343 D346N16-K19 HydrophobicContact CB-CB 4Å; N16-K19 VanDerWaalsContact CG-CB 3.44Å; N16-K19 WeakPolarHBondContact ND2-CB 3.49Å; N16-K19 PolarHBondContact O-N 2.91Å; N16-K19 VanDerWaalsContact O-N 3.11Å; N16-K19 PolarHBondContact OD1-N 3.01Å; K19-V21 PolarHBondContact O-N 2.84Å; K19-K22 WeakPolarHBondContact O-CB 3.43Å; K19-K22 PolarHBondContact O-N 3.14Å; K19-K22 VanDerWaalsContact O-N 3.13Å; K19-I23 HydrophobicContact CG-CD1 4.12Å; K19-I23 WeakPolarHBondContact O-CD1 3.39Å; K19-I23 VanDerWaalsContact O-CG1 3.29Å; K19-I23 WeakPolarHBondContact O-CG1 3.49Å; K19-I23 PolarHBondContact O-N 2.88Å; K19-E339 WeakPolarHBondContact CE-O 3.13Å; K19-E339 PolarHBondContact NZ-O 3.12Å; K19-D340 VanDerWaalsContact CG-O 3.24Å; K19-D340 WeakPolarHBondContact CG-O 3.47Å; K19-N342 PolarHBondContact NZ-O 3.47Å; K19-L343 HydrophobicContact CB-CD2 3.93Å; K19-L343 HydrophobicContact CD-CD2 4.1Å; K19-L343 HydrophobicContact CD-CG 4.31Å; K19-L343 HydrophobicContact CG-CD2 4.23Å; K19-D346 WeakPolarHBondContact CD-OD2 3.28Å; K19-D346 WeakPolarHBondContact CE-OD1 3.27Å; K19-D346 WeakPolarHBondContact CE-OD2 3.43Å; K19-D346 IonicContact NZ-OD1 3.47Å; K19-D346 PolarHBondContact NZ-OD1 3.44Å; K19-D346 IonicContact NZ-OD2 2.68Å; K19-D346 PolarHBondContact NZ-OD2 3.33Å
20A89.9Confident91.2Very high2 Ų252.1 Ų52.12%0.01726%0.258CS..Hα-helixtrans-59.4-40.417600000113.7F13 N16 R24 V119 L343F13-A20 HydrophobicContact CB-CB 3.72Å; N16-A20 PolarHBondContact O-N 2.85Å; A20-R24 WeakPolarHBondContact O-CG 3.39Å; A20-R24 PolarHBondContact O-N 3.04Å; A20-R24 VanDerWaalsContact O-N 3.13Å; A20-V119 HydrophobicContact CB-CG1 3.97Å; A20-L343 HydrophobicContact CB-CD1 4.08Å; A20-L343 HydrophobicContact CB-CD2 4.34Å
21V90.9Very high91.5Very high25 Ų2547.3 Ų47.315%0.15224%0.239CC..Hα-helixtrans-67.3-41.7173.4167.40000111.4L17 L18 K19 I23 R24 Q25L17-V21 WeakPolarHBondContact O-CB 3.14Å; L17-V21 VanDerWaalsContact O-CG2 3.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.49Å; L18-V21 PolarHBondContact O-N 3.25Å; K19-V21 PolarHBondContact O-N 2.84Å; V21-I23 PolarHBondContact O-N 2.73Å; V21-R24 PolarHBondContact O-N 3.04Å; V21-Q25 HydrophobicContact CG1-CG 4.36Å; V21-Q25 WeakPolarHBondContact O-CB 3.33Å; V21-Q25 VanDerWaalsContact O-CG 3.3Å; V21-Q25 WeakPolarHBondContact O-CG 3.18Å; V21-Q25 PolarHBondContact O-N 2.87Å
22K92.8Very high91.9Very high108 Ų10846.5 Ų46.547%0.4724%0.238SC..Hα-helixtrans-60.7-42.7175.6-74.5175.8177-177.20112.4L18 K19 Q25 R26L18-K22 WeakPolarHBondContact O-CG 3.31Å; L18-K22 PolarHBondContact O-N 2.84Å; K19-K22 WeakPolarHBondContact O-CB 3.43Å; K19-K22 PolarHBondContact O-N 3.14Å; K19-K22 VanDerWaalsContact O-N 3.13Å; K22-Q25 PolarHBondContact O-N 2.65Å; K22-R26 WeakPolarHBondContact O-CG 3.36Å; K22-R26 PolarHBondContact O-N 2.88Å
23I94.9Very high92.1Very high1 Ų151.6 Ų51.61%0.00526%0.26CS..Hα-helixtrans-60.7-51.6176.1-64.2157.9000109.9K19 V21 Q25 R26 V27 L117 V119 M341 L343K19-I23 HydrophobicContact CG-CD1 4.12Å; K19-I23 WeakPolarHBondContact O-CD1 3.39Å; K19-I23 VanDerWaalsContact O-CG1 3.29Å; K19-I23 WeakPolarHBondContact O-CG1 3.49Å; K19-I23 PolarHBondContact O-N 2.88Å; V21-I23 PolarHBondContact O-N 2.73Å; I23-Q25 VanDerWaalsContact C-N 3.28Å; I23-Q25 PolarHBondContact O-N 3.17Å; I23-R26 WeakPolarHBondContact O-CB 3.35Å; I23-R26 PolarHBondContact O-N 3.47Å; I23-V27 PolarHBondContact O-N 3.4Å; I23-L117 HydrophobicContact CG2-CB 4.04Å; I23-L117 HydrophobicContact CG2-CD1 4.36Å; I23-V119 HydrophobicContact CB-CG1 4.16Å; I23-V119 HydrophobicContact CB-CG2 4.47Å; I23-V119 HydrophobicContact CD1-CG1 4Å; I23-V119 HydrophobicContact CG2-CG1 4.11Å; I23-V119 HydrophobicContact CG2-CG2 3.67Å; I23-M341 HydrophobicContact CD1-CB 4.37Å; I23-M341 WeakPolarHBondContact CD1-O 3.37Å; I23-M341 HydrophobicContact CG1-CB 4.05Å; I23-M341 HydrophobicContact CG1-CG 3.99Å; I23-L343 HydrophobicContact CD1-CD1 3.67Å; I23-L343 HydrophobicContact CD1-CG 3.83Å
24R95.1Very high92.1Very high38 Ų3851.3 Ų51.314%0.14326%0.262CS..Hα-helixtrans-61.1-33.8178.8-71.7-172.9-68.9136.2-17.9113.2A20 V21 R26 V27 P28 V119 T122 D123A20-R24 WeakPolarHBondContact O-CG 3.39Å; A20-R24 PolarHBondContact O-N 3.04Å; A20-R24 VanDerWaalsContact O-N 3.13Å; V21-R24 PolarHBondContact O-N 3.04Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.42Å; R24-V27 PolarHBondContact O-N 3.5Å; R24-P28 WeakPolarHBondContact O-CD 3.24Å; R24-V119 HydrophobicContact CG-CB 4.22Å; R24-V119 HydrophobicContact CG-CG2 4.02Å; R24-T122 VanDerWaalsContact CD-OG1 3.25Å; R24-T122 WeakPolarHBondContact CD-OG1 3.49Å; R24-T122 PolarHBondContact NH1-OG1 2.98Å; R24-D123 VanDerWaalsContact CB-OD2 3.31Å; R24-D123 WeakPolarHBondContact CB-OD2 3.44Å; R24-D123 WeakPolarHBondContact CD-OD2 3.25Å; R24-D123 IonicContact CZ-OD2 2.98Å; R24-D123 IonicContact NE-OD2 3.88Å; R24-D123 IonicContact NH1-OD1 3.77Å; R24-D123 PolarHBondContact NH1-OD1 2.89Å; R24-D123 IonicContact NH1-OD2 2.73Å; R24-D123 PolarHBondContact NH1-OD2 3.43Å
25Q93.4Very high91.5Very high76 Ų7652.2 Ų52.236%0.35528%0.275SS..Hα-helixtrans-68.9-19.4173-74.4172.3-2.500113.9V21 K22 I23 N29V21-Q25 HydrophobicContact CG1-CG 4.36Å; V21-Q25 WeakPolarHBondContact O-CB 3.33Å; V21-Q25 VanDerWaalsContact O-CG 3.3Å; V21-Q25 WeakPolarHBondContact O-CG 3.18Å; V21-Q25 PolarHBondContact O-N 2.87Å; K22-Q25 PolarHBondContact O-N 2.65Å; I23-Q25 VanDerWaalsContact C-N 3.28Å; I23-Q25 PolarHBondContact O-N 3.17Å; Q25-N29 PolarHBondContact O-ND2 3.42Å
26R95.4Very high90.3Very high96 Ų9655.7 Ų55.736%0.36231%0.305SS..Hα-helixtrans-78.9-40.5173.3-70174.8-179.71762.5112.3K22 I23 R24 N29 D30 M47 D340 M341K22-R26 WeakPolarHBondContact O-CG 3.36Å; K22-R26 PolarHBondContact O-N 2.88Å; I23-R26 WeakPolarHBondContact O-CB 3.35Å; I23-R26 PolarHBondContact O-N 3.47Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 3.42Å; R26-N29 WeakPolarHBondContact O-CB 3.45Å; R26-N29 PolarHBondContact O-N 3.44Å; R26-D30 PolarHBondContact O-N 3.46Å; R26-M47 HydrophobicContact CB-CE 3.96Å; R26-M47 HydrophobicContact CB-SD 3.9Å; R26-D340 IonicContact CZ-OD2 3.53Å; R26-D340 IonicContact NH1-OD1 2.83Å; R26-D340 PolarHBondContact NH1-OD1 3.41Å; R26-D340 IonicContact NH1-OD2 2.68Å; R26-D340 PolarHBondContact NH1-OD2 3.43Å; R26-D340 IonicContact NH2-OD2 3.46Å; R26-D340 PolarHBondContact NH2-OD2 3.01Å; R26-M341 PolarHBondContact NH1-SD 3.23Å
27V95.3Very high88.8Confident7 Ų759 Ų594%0.04233%0.333CS..Hα-helixtrans-52.7-46.7-171.9-168.10000113.9I23 R24 N29 D30 V31 M47 L117 V125I23-V27 PolarHBondContact O-N 3.4Å; R24-V27 PolarHBondContact O-N 3.5Å; V27-N29 PolarHBondContact O-N 3.12Å; V27-N29 VanDerWaalsContact O-N 3.15Å; V27-D30 PolarHBondContact O-N 3.5Å; V27-V31 PolarHBondContact O-N 3.21Å; V27-M47 HydrophobicContact CG2-CE 4.05Å; V27-M47 HydrophobicContact CG2-SD 4.36Å; V27-L117 HydrophobicContact CG2-CD1 3.67Å; V27-V125 HydrophobicContact CB-CG1 4.29Å; V27-V125 HydrophobicContact CG1-CB 4.35Å; V27-V125 HydrophobicContact CG1-CG1 3.88Å
28P96Very high87.5Confident65 Ų6559.4 Ų59.442%0.42234%0.343SS..Hα-helixtrans-59.3-26.7178-25.634.4000114.8R24 V125R24-P28 WeakPolarHBondContact O-CD 3.24Å; P28-V125 HydrophobicContact CB-CG1 4.4Å; P28-V125 HydrophobicContact CG-CG1 3.99Å; P28-V125 HydrophobicContact CG-CG2 3.86Å
29N95.6Very high86.6Confident122 Ų12257.5 Ų57.565%0.65235%0.35SS*.Hα-helixtrans-83.7-15.6179.9-58.9-64.2000112.7Q25 R26 V27 R45Q25-N29 PolarHBondContact O-ND2 3.42Å; R26-N29 WeakPolarHBondContact O-CB 3.45Å; R26-N29 PolarHBondContact O-N 3.44Å; V27-N29 PolarHBondContact O-N 3.12Å; V27-N29 VanDerWaalsContact O-N 3.15Å; N29-R45 PolarHBondContact O-NH1 2.9Å
30D96.4Very high86Confident21 Ų2160.7 Ų60.711%0.11237%0.368CS..Hα-helixtrans-90-18.8172.7-160.872.7000112.5R26 V27 V32 L44 R45 G46 M47R26-D30 PolarHBondContact O-N 3.46Å; V27-D30 PolarHBondContact O-N 3.5Å; D30-V32 PolarHBondContact O-N 3.44Å; D30-L44 HydrophobicContact CB-CD2 4.49Å; D30-L44 WeakPolarHBondContact OD2-CB 3.33Å; D30-R45 PolarHBondContact O-N 2.93Å; D30-R45 WeakPolarHBondContact OD1-CB 3.34Å; D30-R45 PolarHBondContact OD2-N 3.3Å; D30-G46 VanDerWaalsContact CG-N 3.34Å; D30-G46 PolarHBondContact OD1-N 3.34Å; D30-G46 PolarHBondContact OD2-N 3.06Å; D30-M47 HydrophobicContact CB-CB 4.22Å; D30-M47 HydrophobicContact CB-CG 3.76Å; D30-M47 HydrophobicContact CB-SD 3.78Å; D30-M47 PolarHBondContact OD1-N 3.47Å; D30-M47 WeakPolarHBondContact OD2-CB 3.41Å; D30-M47 PolarHBondContact OD2-N 2.93Å
31V96.3Very high86Confident30 Ų3061.3 Ų61.318%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-67.5110.4171.5-179.80000109.8V27 K33 L44 V125V27-V31 PolarHBondContact O-N 3.21Å; V31-K33 HydrophobicContact CG1-CG 4.49Å; V31-L44 HydrophobicContact CB-CD2 4.44Å; V31-L44 HydrophobicContact CG2-CD2 3.68Å; V31-V125 HydrophobicContact CG2-CG1 3.97Å
32V94.9Very high86.1Confident29 Ų2960.5 Ų60.518%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-82.6124.4169-173.60000108.5D30 P34 H42 H43 R45D30-V32 PolarHBondContact O-N 3.44Å; V32-P34 HydrophobicContact CG1-CG 4.24Å; V32-H42 WeakPolarHBondContact O-CA 3.43Å; V32-H43 PolarHBondContact N-O 3.18Å; V32-H43 PolarHBondContact O-N 3.35Å; V32-R45 HydrophobicContact CG2-CB 3.79Å
33K91.8Very high86.3Confident111 Ų11156 Ų5648%0.48335%0.346SS..  trans-106.8102.5161.8-69.8-155.4164.4-164.90109.4V31 E136V31-K33 HydrophobicContact CG1-CG 4.49Å; K33-E136 IonicContact NZ-OE1 2.7Å; K33-E136 PolarHBondContact NZ-OE1 2.81Å; K33-E136 IonicContact NZ-OE2 2.69Å; K33-E136 PolarHBondContact NZ-OE2 3.29Å
34P84.1Confident86.4Confident32 Ų3256.1 Ų56.121%0.20835%0.346CS..  trans-63.3156.7173.1-23.637.5000111.6V32 A38 L40V32-P34 HydrophobicContact CG1-CG 4.24Å; P34-A38 HydrophobicContact CB-CB 4.24Å; P34-L40 HydrophobicContact CB-CB 4.09Å; P34-L40 WeakPolarHBondContact CB-O 3.43Å; P34-L40 HydrophobicContact CG-CB 3.68Å; P34-L40 VanDerWaalsContact CG-O 3.31Å; P34-L40 WeakPolarHBondContact CG-O 3.49Å
35A73.8Confident86.3Confident66 Ų6661.3 Ų61.355%0.54537%0.366SS..  trans-68.7147.7169.700000109.9S37 A38A35-S37 PolarHBondContact O-N 3.24Å; A35-A38 VanDerWaalsContact O-CB 3.3Å; A35-A38 WeakPolarHBondContact O-CB 3.47Å; A35-A38 PolarHBondContact O-N 3.15Å
36A62.6Low86.4Confident105 Ų10558.7 Ų58.787%0.86836%0.36SS*.G310 helixtrans-56.8-25.7-176.700000114A38A36-A38 VanDerWaalsContact C-N 3.28Å; A36-A38 PolarHBondContact O-N 3.33Å
37S56.3Low86.5Confident120 Ų12054.8 Ų54.884%0.83935%0.345SS*.G310 helixtrans-76-6.8174.958.80000115A35A35-S37 PolarHBondContact O-N 3.24Å
38A62.6Low86.6Confident55 Ų5554.4 Ų54.446%0.45534%0.343SS..G310 helixtrans-96.9-6.6-175.400000114.1P34 A35 A36 L40P34-A38 HydrophobicContact CB-CB 4.24Å; A35-A38 VanDerWaalsContact O-CB 3.3Å; A35-A38 WeakPolarHBondContact O-CB 3.47Å; A35-A38 PolarHBondContact O-N 3.15Å; A36-A38 VanDerWaalsContact C-N 3.28Å; A36-A38 PolarHBondContact O-N 3.33Å; A38-L40 WeakPolarHBondContact O-CD1 3.23Å; A38-L40 PolarHBondContact O-N 3.24Å
39G68.1Low86.7Confident74 Ų7456 Ų5676%0.76334%0.341SS*.  trans69-22.117600000116.9
40L79.5Confident86.9Confident91 Ų9153.4 Ų53.448%0.47632%0.322SS..PPolyproline II helixtrans-70.6137.4178-8960.5000111.9P34 A38 W240P34-L40 HydrophobicContact CB-CB 4.09Å; P34-L40 WeakPolarHBondContact CB-O 3.43Å; P34-L40 HydrophobicContact CG-CB 3.68Å; P34-L40 VanDerWaalsContact CG-O 3.31Å; P34-L40 WeakPolarHBondContact CG-O 3.49Å; A38-L40 WeakPolarHBondContact O-CD1 3.23Å; A38-L40 PolarHBondContact O-N 3.24Å; L40-W240 HydrophobicContact CD2-CH2 3.73Å; L40-W240 HydrophobicContact CD2-CZ3 4.02Å; L40-W240 HydrophobicContact CG-CH2 4Å; L40-W240 HydrophobicContact CG-CZ3 4.41Å
41M90.7Very high87Confident16 Ų1652.5 Ų52.58%0.07932%0.318CS..PPolyproline II helixtrans-69.7164.7170.765.4-177.5-67.200113H43 V133 F142 N203 I204 H239 W240M41-H43 PolarHBondContact O-ND1 3.23Å; M41-V133 HydrophobicContact CB-CG2 4.39Å; M41-V133 HydrophobicContact CE-CG1 4.12Å; M41-V133 HydrophobicContact CE-CG2 3.96Å; M41-F142 HydrophobicContact CE-CE2 4.4Å; M41-F142 HydrophobicContact CE-CZ 3.91Å; M41-F142 HydrophobicContact SD-CZ 4.04Å; M41-N203 HydrophobicContact CE-CB 3.75Å; M41-N203 HydrophobicContact SD-CB 3.72Å; M41-I204 HydrophobicContact CE-CB 4.43Å; M41-I204 HydrophobicContact CE-CG1 3.55Å; M41-H239 HydrophobicContact SD-CB 4.25Å; M41-W240 HydrophobicContact CG-CZ2 4.1Å
42H92.9Very high87.1Confident7 Ų751.2 Ų51.23%0.03231%0.31CS..PPolyproline II helixtrans-60.5136168.4-53.7151.2000111.1V32 G132 V133 E136V32-H42 WeakPolarHBondContact O-CA 3.43Å; H42-G132 VanDerWaalsContact CE1-C 3.47Å; H42-G132 PolarHBondContact CE1-O 3.32Å; H42-V133 HydrophobicContact CB-CG2 3.78Å; H42-V133 PolarHBondContact ND1-N 2.96Å; H42-E136 IonicContact CE1-OE2 2.8Å; H42-E136 PolarHBondContact CE1-OE2 2.97Å; H42-E136 IonicContact NE2-OE2 2.71Å
43H96.1Very high87.1Confident15 Ų1550.7 Ų50.77%0.06931%0.305CS..EExtended strand (participates in β ladder)trans-155.2163.5-176.660.8-86.5000112.4V32 M41 I204 W240V32-H43 PolarHBondContact N-O 3.18Å; V32-H43 PolarHBondContact O-N 3.35Å; M41-H43 PolarHBondContact O-ND1 3.23Å; H43-I204 CarbonylContact C-O 3.5Å; H43-I204 WeakPolarHBondContact CA-O 3.29Å; H43-I204 WeakPolarHBondContact CB-O 3.2Å; H43-W240 HydrophobicContact CB-CH2 4.41Å; H43-W240 HydrophobicContact CB-CZ2 3.79Å; H43-W240 AromaticContact CE1-CH2 3.65Å; H43-W240 AromaticContact CG-CH2 3.75Å; H43-W240 AromaticContact CG-CZ2 3.6Å; H43-W240 AromaticContact ND1-CH2 3.5Å; H43-W240 WeakPolarHBondContact ND1-CH2 3.43Å; H43-W240 AromaticContact ND1-CZ2 3.54Å
44L96.7Very high87.2Confident2 Ų245.4 Ų45.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-83.2132.3172.2-68.6-167.8000111.8D30 V31 H48 L126 I204 L205 R206D30-L44 HydrophobicContact CB-CD2 4.49Å; D30-L44 WeakPolarHBondContact OD2-CB 3.33Å; V31-L44 HydrophobicContact CB-CD2 4.44Å; V31-L44 HydrophobicContact CG2-CD2 3.68Å; L44-H48 HydrophobicContact CB-CB 4.02Å; L44-H48 HydrophobicContact CD1-CB 4.17Å; L44-H48 PolarHBondContact O-CE1 3.3Å; L44-H48 VanDerWaalsContact O-CE1 3.27Å; L44-H48 PolarHBondContact O-ND1 2.84Å; L44-L126 HydrophobicContact CD1-CD2 4.49Å; L44-I204 PolarHBondContact N-O 2.92Å; L44-L205 HydrophobicContact CD1-CD2 3.49Å; L44-L205 VanDerWaalsContact CD1-CD2 3.49Å; L44-L205 HydrophobicContact CG-CD2 4.04Å; L44-R206 PolarHBondContact O-NH2 3.41Å
45R94.9Very high87.6Confident148 Ų14844.2 Ų44.256%0.55827%0.274SS*.SBendtrans-69.7-44.2179.7-177.9-179.2-71.2122.8-2.9112.4N29 D30 V32 H48 R206N29-R45 PolarHBondContact O-NH1 2.9Å; D30-R45 PolarHBondContact O-N 2.93Å; D30-R45 WeakPolarHBondContact OD1-CB 3.34Å; D30-R45 PolarHBondContact OD2-N 3.3Å; V32-R45 HydrophobicContact CG2-CB 3.79Å; R45-H48 PolarHBondContact O-CE1 2.93Å; R45-R206 PolarHBondContact O-NH2 3.38Å
46G95Very high88.3Confident21 Ų2142.3 Ų42.322%0.21626%0.259CS..SBendtrans-154.2-26.8-173.600000116.8D30 H48 R49D30-G46 VanDerWaalsContact CG-N 3.34Å; D30-G46 PolarHBondContact OD1-N 3.34Å; D30-G46 PolarHBondContact OD2-N 3.06Å; G46-H48 PolarHBondContact O-N 3.37Å; G46-H48 VanDerWaalsContact O-N 3.11Å; G46-R49 PolarHBondContact O-N 2.93Å; G46-R49 VanDerWaalsContact O-N 3.15Å
47M97.4Very high89.6Confident13 Ų1337.8 Ų37.86%0.06422%0.22CC..G310 helixtrans-66.3-16.4-176.8-67.7-173.475.500113.5R26 V27 D30 R49 Y50 L117 M341R26-M47 HydrophobicContact CB-CE 3.96Å; R26-M47 HydrophobicContact CB-SD 3.9Å; V27-M47 HydrophobicContact CG2-CE 4.05Å; V27-M47 HydrophobicContact CG2-SD 4.36Å; D30-M47 HydrophobicContact CB-CB 4.22Å; D30-M47 HydrophobicContact CB-CG 3.76Å; D30-M47 HydrophobicContact CB-SD 3.78Å; D30-M47 PolarHBondContact OD1-N 3.47Å; D30-M47 WeakPolarHBondContact OD2-CB 3.41Å; D30-M47 PolarHBondContact OD2-N 2.93Å; M47-R49 PolarHBondContact O-N 3.22Å; M47-Y50 HydrophobicContact CB-CD2 4.3Å; M47-Y50 HydrophobicContact CB-CE2 4.49Å; M47-Y50 HydrophobicContact CG-CE2 4.27Å; M47-Y50 WeakPolarHBondContact O-CD2 3.45Å; M47-Y50 PolarHBondContact O-N 2.84Å; M47-L117 HydrophobicContact CB-CD2 4.5Å; M47-L117 HydrophobicContact CE-CD1 3.85Å; M47-L117 HydrophobicContact CE-CD2 3.73Å; M47-L117 HydrophobicContact CE-CG 4.47Å; M47-M341 HydrophobicContact CE-CE 3.67Å
48H97.5Very high91Very high0 Ų036.9 Ų36.90%021%0.205CC..G310 helixtrans-64.1-18.2173.762.6-92.5000114.6L44 R45 G46 Y50 M116 L205 R207L44-H48 HydrophobicContact CB-CB 4.02Å; L44-H48 HydrophobicContact CD1-CB 4.17Å; L44-H48 PolarHBondContact O-CE1 3.3Å; L44-H48 VanDerWaalsContact O-CE1 3.27Å; L44-H48 PolarHBondContact O-ND1 2.84Å; R45-H48 PolarHBondContact O-CE1 2.93Å; G46-H48 PolarHBondContact O-N 3.37Å; G46-H48 VanDerWaalsContact O-N 3.11Å; H48-Y50 VanDerWaalsContact C-N 3.35Å; H48-M116 HydrophobicContact CB-SD 4.4Å; H48-L205 HydrophobicContact CB-CB 4.39Å; H48-L205 WeakPolarHBondContact CB-O 3.45Å; H48-L205 PolarHBondContact CD2-O 2.85Å; H48-L205 VanDerWaalsContact CD2-O 3.26Å; H48-R207 WeakPolarHBondContact O-CD 3.46Å; H48-R207 PolarHBondContact O-NH1 3.38Å
49R98.4Very high92.3Very high99 Ų9939.1 Ų39.137%0.37421%0.206SC..G310 helixtrans-83.3-9.1-179.4-57.1-167.7177.9925.3113.8G46 M47 Y246 N336G46-R49 PolarHBondContact O-N 2.93Å; G46-R49 VanDerWaalsContact O-N 3.15Å; M47-R49 PolarHBondContact O-N 3.22Å; R49-Y246 HydrophobicContact CB-CD1 4.47Å; R49-Y246 HydrophobicContact CB-CD2 4.04Å; R49-Y246 HydrophobicContact CB-CE1 4.45Å; R49-Y246 HydrophobicContact CB-CE2 4.05Å; R49-Y246 HydrophobicContact CB-CG 4.26Å; R49-Y246 HydrophobicContact CG-CD2 3.71Å; R49-Y246 HydrophobicContact CG-CE2 4.18Å; R49-Y246 HydrophobicContact CG-CG 3.96Å; R49-N336 PolarHBondContact O-ND2 3.02Å
50Y98.7Very high93.5Very high66 Ų6635.9 Ų35.926%0.25917%0.171SC..  trans-76.9149.2179.2-66.8-57.3000112.3M47 H48 M116 L117 R207 N336 L337 P338 M341M47-Y50 HydrophobicContact CB-CD2 4.3Å; M47-Y50 HydrophobicContact CB-CE2 4.49Å; M47-Y50 HydrophobicContact CG-CE2 4.27Å; M47-Y50 WeakPolarHBondContact O-CD2 3.45Å; M47-Y50 PolarHBondContact O-N 2.84Å; H48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-M116 CarbonylContact C-O 3.58Å; Y50-M116 WeakPolarHBondContact CB-O 3.44Å; Y50-M116 WeakPolarHBondContact O-CA 3.45Å; Y50-L117 HydrophobicContact CD2-CD2 3.85Å; Y50-L117 HydrophobicContact CG-CD2 4.41Å; Y50-R207 PolarHBondContact O-NH1 3Å; Y50-N336 VanDerWaalsContact CA-OD1 3.23Å; Y50-N336 WeakPolarHBondContact CA-OD1 3.18Å; Y50-L337 HydrophobicContact CD1-CD2 4.23Å; Y50-L337 HydrophobicContact CD2-CD2 4.43Å; Y50-L337 HydrophobicContact CG-CD2 3.91Å; Y50-P338 VanDerWaalsContact CE1-CD 3.48Å; Y50-P338 HydrophobicContact CE1-CG 3.95Å; Y50-M341 HydrophobicContact CD2-CE 3.93Å; Y50-M341 HydrophobicContact CE2-CE 3.82Å; Y50-M341 HydrophobicContact CE2-SD 4.5Å
51T98.6Very high94.2Very high2 Ų233.9 Ų33.91%0.01216%0.163CC..  trans-138.3133.8178.7-58.90000110.4Y115 R207 D333 N336T51-Y115 HydrophobicContact CG2-CE1 3.88Å; T51-R207 PolarHBondContact OG1-NH1 3.11Å; T51-R207 PolarHBondContact OG1-NH2 3.36Å; T51-D333 WeakPolarHBondContact CB-OD2 3.44Å; T51-D333 HydrophobicContact CG2-CB 4.15Å; T51-D333 WeakPolarHBondContact OG1-CB 3.46Å; T51-D333 PolarHBondContact OG1-OD2 2.93Å; T51-N336 PolarHBondContact N-OD1 2.87Å; T51-N336 PolarHBondContact O-N 3.01Å
52L97.9Very high94.2Very high3 Ų337.5 Ų37.52%0.01618%0.18CC..  trans-91.5131174-172.775.9000110.5L12 L99 Q114 Y115 I263 L337 M344L12-L52 HydrophobicContact CD2-CD1 4.1Å; L12-L52 HydrophobicContact CD2-CD2 4.12Å; L52-L99 HydrophobicContact CD2-CD1 3.69Å; L52-Q114 WeakPolarHBondContact CD2-O 3.42Å; L52-Y115 VanDerWaalsContact CB-O 3.27Å; L52-Y115 WeakPolarHBondContact CB-O 3.45Å; L52-Y115 PolarHBondContact N-O 3.06Å; L52-I263 HydrophobicContact CB-CG2 4.5Å; L52-I263 HydrophobicContact CD2-CD1 4.01Å; L52-I263 HydrophobicContact CD2-CG2 4.5Å; L52-I263 HydrophobicContact CG-CD1 4.31Å; L52-L337 HydrophobicContact CB-CD1 4.18Å; L52-L337 HydrophobicContact CD1-CD1 3.65Å; L52-M344 HydrophobicContact CD1-CB 4.09Å; L52-M344 HydrophobicContact CD1-CE 3.97Å; L52-M344 HydrophobicContact CD2-CE 3.81Å; L52-M344 HydrophobicContact CG-CE 3.88Å
53E94.8Very high94.2Very high18 Ų1839.8 Ų39.88%0.08420%0.2CC..  trans-117.6144.2171.7-166.9169.6-129.600109.2T264 K266 R273 M344E53-T264 WeakPolarHBondContact CG-O 3.43Å; E53-T264 PolarHBondContact OE1-OG1 3.16Å; E53-K266 HydrophobicContact CG-CB 4.02Å; E53-R273 IonicContact OE1-CZ 3.14Å; E53-R273 IonicContact OE1-NE 2.81Å; E53-R273 PolarHBondContact OE1-NE 3.11Å; E53-R273 IonicContact OE1-NH2 2.65Å; E53-R273 PolarHBondContact OE1-NH2 3.48Å; E53-R273 IonicContact OE2-NH2 3.94Å; E53-M344 WeakPolarHBondContact O-CG 3.38Å
54M94.5Very high94.1Very high1 Ų139 Ų391%0.00520%0.197CC..BIsolated β-bridgetrans-77.4146.2-178.2179.759.9-179.900111.5M57 V68 I72 V97 I263 T264 V265 K266 M344M54-M57 HydrophobicContact CE-CE 3.83Å; M54-M57 HydrophobicContact CE-SD 3.88Å; M54-M57 HydrophobicContact CG-CE 3.88Å; M54-V68 HydrophobicContact CE-CG1 4.32Å; M54-I72 HydrophobicContact CE-CG2 3.77Å; M54-V97 HydrophobicContact CB-CG2 4.39Å; M54-V97 HydrophobicContact CG-CG2 4.31Å; M54-I263 HydrophobicContact CB-CD1 3.7Å; M54-I263 HydrophobicContact CB-CG1 4.08Å; M54-T264 WeakPolarHBondContact CB-O 3.42Å; M54-T264 PolarHBondContact N-O 3.33Å; M54-V265 HydrophobicContact CB-CG2 4.44Å; M54-K266 WeakPolarHBondContact O-CB 3.3Å; M54-K266 PolarHBondContact O-N 2.92Å; M54-M344 HydrophobicContact SD-CE 3.99Å; M54-M344 HydrophobicContact SD-SD 3.76Å
55I92.2Very high93.9Very high6 Ų642.5 Ų42.53%0.03121%0.21CC..PPolyproline II helixtrans-50.6147.1177.557.9170.9000113.4M57 V68 M344 L348 V351I55-M57 HydrophobicContact CD1-CG 4.26Å; I55-M57 HydrophobicContact CG1-CG 4.02Å; I55-M57 PolarHBondContact O-N 3.44Å; I55-V68 HydrophobicContact CD1-CG1 4.23Å; I55-M344 HydrophobicContact CG2-CG 3.54Å; I55-M344 HydrophobicContact CG2-SD 3.83Å; I55-L348 HydrophobicContact CB-CD1 4.19Å; I55-L348 HydrophobicContact CD1-CD1 4.11Å; I55-L348 HydrophobicContact CG2-CB 3.78Å; I55-L348 HydrophobicContact CG2-CD1 4.06Å; I55-L348 HydrophobicContact CG2-CD2 4.34Å; I55-L348 HydrophobicContact CG2-CG 4.26Å; I55-V351 HydrophobicContact CD1-CB 4.5Å; I55-V351 HydrophobicContact CD1-CG1 4.33Å; I55-V351 HydrophobicContact CD1-CG2 4.27Å
56A89.7Confident93.8Very high27 Ų2740 Ų4022%0.22320%0.204CC..PPolyproline II helixtrans-60.3122.9164.100000109.1H59 K266A56-H59 PolarHBondContact O-CE1 2.92Å; A56-K266 VanDerWaalsContact CA-O 3.3Å; A56-K266 WeakPolarHBondContact CA-O 3.43Å; A56-K266 WeakPolarHBondContact CB-O 3.48Å
57M88.4Confident93.6Very high9 Ų940.4 Ų40.44%0.04420%0.203CC..  trans-111.3-2.8176.6-69.5173.5-81.700112.7M54 I55 H59 F60 R65 V68 Q69 V265M54-M57 HydrophobicContact CE-CE 3.83Å; M54-M57 HydrophobicContact CE-SD 3.88Å; M54-M57 HydrophobicContact CG-CE 3.88Å; I55-M57 HydrophobicContact CD1-CG 4.26Å; I55-M57 HydrophobicContact CG1-CG 4.02Å; I55-M57 PolarHBondContact O-N 3.44Å; M57-H59 VanDerWaalsContact C-N 3.25Å; M57-H59 PolarHBondContact O-N 2.91Å; M57-F60 HydrophobicContact CB-CD2 4.45Å; M57-F60 PolarHBondContact O-N 3.23Å; M57-F60 VanDerWaalsContact O-N 3.17Å; M57-R65 HydrophobicContact CB-CG 4.37Å; M57-R65 WeakPolarHBondContact O-CD 3.34Å; M57-V68 HydrophobicContact SD-CG1 4.09Å; M57-Q69 HydrophobicContact CE-CG 4.4Å; M57-Q69 HydrophobicContact SD-CG 3.77Å; M57-V265 HydrophobicContact CE-CG1 4.2Å; M57-V265 HydrophobicContact CE-CG2 4.35Å
58N87.6Confident93.4Very high101 Ų10139.8 Ų39.854%0.5420%0.199SC..THydrogen-bonded Turntrans-58.5-30.6-172.760.5-17000114.5
59H89.3Confident93.2Very high103 Ų10341.4 Ų41.448%0.47721%0.207SC..THydrogen-bonded Turntrans-81.5-12.5-179.156.6-87.5000114.6A56 M57A56-H59 PolarHBondContact O-CE1 2.92Å; M57-H59 VanDerWaalsContact C-N 3.25Å; M57-H59 PolarHBondContact O-N 2.91Å
60F92.6Very high92.9Very high6 Ų638.4 Ų38.43%0.02620%0.204CC..SBendtrans-87.8144.8176.2-60.7-62.7000112.2M57 F64 R65 V351 N352 Y355M57-F60 HydrophobicContact CB-CD2 4.45Å; M57-F60 PolarHBondContact O-N 3.23Å; M57-F60 VanDerWaalsContact O-N 3.17Å; F60-F64 HydrophobicContact CB-CD1 4.01Å; F60-F64 AromaticContact CD1-CD1 3.74Å; F60-F64 HydrophobicContact CD1-CD1 3.74Å; F60-F64 AromaticContact CD1-CE1 3.94Å; F60-F64 HydrophobicContact CD1-CE1 3.94Å; F60-F64 HydrophobicContact CD2-CD1 4.39Å; F60-F64 HydrophobicContact CE1-CD1 4.31Å; F60-F64 HydrophobicContact CE1-CE1 4.04Å; F60-F64 AromaticContact CG-CD1 3.8Å; F60-F64 HydrophobicContact CG-CD1 3.8Å; F60-F64 HydrophobicContact CG-CE1 4.26Å; F60-F64 HydrophobicContact CZ-CE1 4.42Å; F60-R65 HydrophobicContact CB-CG 3.81Å; F60-R65 WeakPolarHBondContact O-CD 3.37Å; F60-R65 WeakPolarHBondContact O-CG 3.22Å; F60-V351 HydrophobicContact CE1-CG1 4.34Å; F60-V351 HydrophobicContact CE2-CG1 3.72Å; F60-V351 HydrophobicContact CZ-CG1 3.56Å; F60-N352 WeakPolarHBondContact CZ-OD1 3.31Å; F60-Y355 AromaticContact CD1-CD1 3.94Å; F60-Y355 HydrophobicContact CD1-CD1 3.94Å; F60-Y355 AromaticContact CD1-CD2 3.77Å; F60-Y355 HydrophobicContact CD1-CD2 3.77Å; F60-Y355 HydrophobicContact CD1-CE1 4.31Å; F60-Y355 HydrophobicContact CD1-CE2 4.15Å; F60-Y355 AromaticContact CD1-CG 3.66Å; F60-Y355 HydrophobicContact CD1-CG 3.66Å; F60-Y355 AromaticContact CE1-CD1 3.89Å; F60-Y355 HydrophobicContact CE1-CD1 3.89Å; F60-Y355 HydrophobicContact CE1-CD2 4.24Å; F60-Y355 AromaticContact CE1-CG 3.68Å; F60-Y355 HydrophobicContact CE1-CG 3.68Å
61P93.8Very high92.6Very high48 Ų4835.3 Ų35.331%0.31219%0.191SC..  trans-56.9145.7168.3-23.834.1000112.4A63 F64 R65 Y355 W358P61-A63 VanDerWaalsContact C-N 3.3Å; P61-A63 PolarHBondContact O-N 3.45Å; P61-A63 VanDerWaalsContact O-N 3.16Å; P61-F64 PolarHBondContact O-N 2.97Å; P61-R65 PolarHBondContact O-N 3.32Å; P61-Y355 VanDerWaalsContact CD-CE2 3.47Å; P61-Y355 VanDerWaalsContact CD-OH 3.22Å; P61-Y355 WeakPolarHBondContact CD-OH 3.44Å; P61-Y355 HydrophobicContact CG-CE2 4.02Å; P61-Y355 WeakPolarHBondContact CG-OH 3.4Å; P61-W358 HydrophobicContact CG-CZ3 4.34Å
62Q92.5Very high92.4Very high93 Ų9335.3 Ų35.344%0.43519%0.191SC..Hα-helixtrans-51.6-43.9-173.8177.259.818.900113.8F64 R65 E66Q62-F64 VanDerWaalsContact C-N 3.29Å; Q62-F64 PolarHBondContact O-N 3.21Å; Q62-R65 WeakPolarHBondContact O-CB 3.23Å; Q62-R65 PolarHBondContact O-N 2.85Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; Q62-R65 VanDerWaalsContact OE1-CZ 3.28Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.41Å; Q62-E66 PolarHBondContact NE2-OE1 3.5Å; Q62-E66 PolarHBondContact O-N 3.14Å
63A92Very high92.4Very high54 Ų5435.1 Ų35.145%0.44619%0.19SC..Hα-helixtrans-59.7-37.1178.300000112.8P61 V67 W358P61-A63 VanDerWaalsContact C-N 3.3Å; P61-A63 PolarHBondContact O-N 3.45Å; P61-A63 VanDerWaalsContact O-N 3.16Å; A63-V67 PolarHBondContact O-N 3.32Å; A63-W358 HydrophobicContact CB-CH2 4.35Å; A63-W358 HydrophobicContact CB-CZ2 4.16Å
64F93.1Very high92.4Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-77-35.4176.2-168.8-96.8000111.9F7 F60 P61 Q62 E66 V67 V68 V351 Y355 W358F7-F64 HydrophobicContact CE2-CE2 4.24Å; F7-F64 HydrophobicContact CZ-CE2 4.03Å; F60-F64 HydrophobicContact CB-CD1 4.01Å; F60-F64 AromaticContact CD1-CD1 3.74Å; F60-F64 HydrophobicContact CD1-CD1 3.74Å; F60-F64 AromaticContact CD1-CE1 3.94Å; F60-F64 HydrophobicContact CD1-CE1 3.94Å; F60-F64 HydrophobicContact CD2-CD1 4.39Å; F60-F64 HydrophobicContact CE1-CD1 4.31Å; F60-F64 HydrophobicContact CE1-CE1 4.04Å; F60-F64 AromaticContact CG-CD1 3.8Å; F60-F64 HydrophobicContact CG-CD1 3.8Å; F60-F64 HydrophobicContact CG-CE1 4.26Å; F60-F64 HydrophobicContact CZ-CE1 4.42Å; P61-F64 PolarHBondContact O-N 2.97Å; Q62-F64 VanDerWaalsContact C-N 3.29Å; Q62-F64 PolarHBondContact O-N 3.21Å; F64-E66 PolarHBondContact O-N 2.82Å; F64-V67 PolarHBondContact O-N 3.31Å; F64-V67 VanDerWaalsContact O-N 3.1Å; F64-V68 HydrophobicContact CD1-CG2 3.92Å; F64-V68 HydrophobicContact CE1-CG2 3.66Å; F64-V68 HydrophobicContact CZ-CG2 4.33Å; F64-V68 WeakPolarHBondContact O-CG2 3.18Å; F64-V68 PolarHBondContact O-N 2.96Å; F64-V351 HydrophobicContact CE1-CG1 3.74Å; F64-V351 HydrophobicContact CZ-CG1 4.3Å; F64-Y355 HydrophobicContact CB-CD2 4.26Å; F64-Y355 HydrophobicContact CB-CE2 4.39Å; F64-Y355 AromaticContact CD1-CD2 3.65Å; F64-Y355 HydrophobicContact CD1-CD2 3.65Å; F64-Y355 HydrophobicContact CD1-CE2 4.44Å; F64-Y355 HydrophobicContact CD1-CG 4.33Å; F64-Y355 AromaticContact CD2-CD2 3.9Å; F64-Y355 HydrophobicContact CD2-CD2 3.9Å; F64-Y355 AromaticContact CE1-CD2 3.86Å; F64-Y355 HydrophobicContact CE1-CD2 3.86Å; F64-Y355 HydrophobicContact CE1-CG 4.13Å; F64-Y355 HydrophobicContact CE2-CD2 4.11Å; F64-Y355 AromaticContact CG-CD2 3.66Å; F64-Y355 HydrophobicContact CG-CD2 3.66Å; F64-Y355 HydrophobicContact CG-CE2 4.27Å; F64-Y355 VanDerWaalsContact CZ-CA 3.47Å; F64-Y355 HydrophobicContact CZ-CD2 4.1Å; F64-Y355 HydrophobicContact CZ-CG 4.32Å; F64-W358 HydrophobicContact CB-CD2 4.49Å; F64-W358 HydrophobicContact CB-CE3 4.31Å; F64-W358 HydrophobicContact CB-CH2 4.43Å; F64-W358 HydrophobicContact CB-CZ3 4.29Å; F64-W358 HydrophobicContact CD2-CB 4.04Å; F64-W358 AromaticContact CD2-CD2 3.76Å; F64-W358 HydrophobicContact CD2-CD2 3.76Å; F64-W358 HydrophobicContact CD2-CE3 4.09Å; F64-W358 AromaticContact CD2-CG 3.73Å; F64-W358 HydrophobicContact CD2-CG 3.73Å; F64-W358 HydrophobicContact CE2-CB 3.93Å; F64-W358 HydrophobicContact CE2-CG 4.09Å
65R93Very high92.4Very high74 Ų7439.5 Ų39.528%0.27921%0.208SC..Hα-helixtrans-56.1-40170.2-59.8-165.6-60.3-148.77.5111.4M57 F60 P61 Q62 V68 Q69M57-R65 HydrophobicContact CB-CG 4.37Å; M57-R65 WeakPolarHBondContact O-CD 3.34Å; F60-R65 HydrophobicContact CB-CG 3.81Å; F60-R65 WeakPolarHBondContact O-CD 3.37Å; F60-R65 WeakPolarHBondContact O-CG 3.22Å; P61-R65 PolarHBondContact O-N 3.32Å; Q62-R65 WeakPolarHBondContact O-CB 3.23Å; Q62-R65 PolarHBondContact O-N 2.85Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; Q62-R65 VanDerWaalsContact OE1-CZ 3.28Å; R65-V68 PolarHBondContact O-N 3.45Å; R65-Q69 VanDerWaalsContact O-CB 3.25Å; R65-Q69 WeakPolarHBondContact O-CB 3.3Å; R65-Q69 WeakPolarHBondContact O-CG 3.04Å; R65-Q69 PolarHBondContact O-N 3.16Å
66E92.2Very high92.5Very high95 Ų9542.6 Ų42.644%0.44424%0.235SC..Hα-helixtrans-65.5-38176.4-74.2168.7-161.200112.8Q62 F64 A70Q62-E66 WeakPolarHBondContact CG-OE1 3.41Å; Q62-E66 PolarHBondContact NE2-OE1 3.5Å; Q62-E66 PolarHBondContact O-N 3.14Å; F64-E66 PolarHBondContact O-N 2.82Å; E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.39Å
67V92.4Very high92.7Very high30 Ų3041.6 Ų41.618%0.18223%0.225CC..Hα-helixtrans-63.3-49.2173.3176.60000111.3N6 F7 L8 A63 F64 Q69 A70 A71N6-V67 PolarHBondContact ND2-O 3.32Å; F7-V67 HydrophobicContact CE1-CG1 4.27Å; F7-V67 HydrophobicContact CE2-CG1 4.32Å; F7-V67 HydrophobicContact CZ-CG1 3.83Å; L8-V67 HydrophobicContact CD1-CG1 4.45Å; A63-V67 PolarHBondContact O-N 3.32Å; F64-V67 PolarHBondContact O-N 3.31Å; F64-V67 VanDerWaalsContact O-N 3.1Å; V67-Q69 PolarHBondContact O-N 3.02Å; V67-A70 PolarHBondContact O-N 3.13Å; V67-A71 WeakPolarHBondContact O-CB 3.22Å; V67-A71 PolarHBondContact O-N 3.29Å
68V93.1Very high93.1Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-57.7-48.7177.2176.30000110.8L8 M54 I55 M57 F64 R65 A71 I72 Y347 V351L8-V68 HydrophobicContact CD1-CB 4.2Å; L8-V68 HydrophobicContact CD1-CG2 3.65Å; M54-V68 HydrophobicContact CE-CG1 4.32Å; I55-V68 HydrophobicContact CD1-CG1 4.23Å; M57-V68 HydrophobicContact SD-CG1 4.09Å; F64-V68 HydrophobicContact CD1-CG2 3.92Å; F64-V68 HydrophobicContact CE1-CG2 3.66Å; F64-V68 HydrophobicContact CZ-CG2 4.33Å; F64-V68 WeakPolarHBondContact O-CG2 3.18Å; F64-V68 PolarHBondContact O-N 2.96Å; R65-V68 PolarHBondContact O-N 3.45Å; V68-A71 PolarHBondContact O-N 3.07Å; V68-I72 PolarHBondContact O-N 3.11Å; V68-Y347 HydrophobicContact CG1-CE1 4.47Å; V68-V351 HydrophobicContact CG1-CG2 4.44Å; V68-V351 HydrophobicContact CG2-CG1 3.7Å; V68-V351 HydrophobicContact CG2-CG2 4.4Å
69Q93.4Very high93.4Very high35 Ų3539.8 Ų39.816%0.16422%0.223CC..Hα-helixtrans-68.5-40.6-178.4-71.9177.24.800112.2M57 R65 V67 A71 L73 R75M57-Q69 HydrophobicContact CE-CG 4.4Å; M57-Q69 HydrophobicContact SD-CG 3.77Å; R65-Q69 VanDerWaalsContact O-CB 3.25Å; R65-Q69 WeakPolarHBondContact O-CB 3.3Å; R65-Q69 WeakPolarHBondContact O-CG 3.04Å; R65-Q69 PolarHBondContact O-N 3.16Å; V67-Q69 PolarHBondContact O-N 3.02Å; Q69-A71 VanDerWaalsContact C-N 3.28Å; Q69-A71 PolarHBondContact O-N 3Å; Q69-L73 HydrophobicContact CB-CD1 3.84Å; Q69-L73 HydrophobicContact CB-CG 4.39Å; Q69-L73 HydrophobicContact CG-CD1 3.77Å; Q69-L73 VanDerWaalsContact O-CB 3.23Å; Q69-L73 WeakPolarHBondContact O-CB 3.11Å; Q69-L73 PolarHBondContact O-N 2.96Å; Q69-R75 VanDerWaalsContact OE1-CZ 3.23Å
70A92.3Very high93.6Very high36 Ų3636.8 Ų36.830%0.29821%0.213SC..Hα-helixtrans-66.6-29.5175.900000112.7E66 V67 R100E66-A70 WeakPolarHBondContact O-CB 3.49Å; E66-A70 PolarHBondContact O-N 3.39Å; V67-A70 PolarHBondContact O-N 3.13Å; A70-R100 PolarHBondContact O-NH2 3.29Å
71A92.1Very high93.7Very high0 Ų036.6 Ų36.60%021%0.213CC..Hα-helixtrans-66.9-61.5173.100000111.5N6 L8 K10 V67 V68 Q69 R100N6-A71 HydrophobicContact CB-CB 4.42Å; N6-A71 PolarHBondContact ND2-N 3.4Å; L8-A71 HydrophobicContact CB-CB 3.76Å; K10-A71 WeakPolarHBondContact CA-O 3.42Å; V67-A71 WeakPolarHBondContact O-CB 3.22Å; V67-A71 PolarHBondContact O-N 3.29Å; V68-A71 PolarHBondContact O-N 3.07Å; Q69-A71 VanDerWaalsContact C-N 3.28Å; Q69-A71 PolarHBondContact O-N 3Å; A71-R100 VanDerWaalsContact O-CD 3.29Å; A71-R100 WeakPolarHBondContact O-CD 3.36Å; A71-R100 PolarHBondContact O-NE 3.43Å
72I94.7Very high93.7Very high2 Ų237.7 Ų37.71%0.0121%0.213CC..Hα-helixtrans-96.8-18.6-164.7-156178.7000115.7L12 M54 V68 L99 R100 Y347L12-I72 HydrophobicContact CB-CD1 4.32Å; L12-I72 HydrophobicContact CD1-CD1 3.6Å; M54-I72 HydrophobicContact CE-CG2 3.77Å; V68-I72 PolarHBondContact O-N 3.11Å; I72-L99 HydrophobicContact CD1-CD2 4.3Å; I72-L99 HydrophobicContact CG1-CD2 4.23Å; I72-R100 WeakPolarHBondContact O-CG 3.47Å; I72-R100 PolarHBondContact O-N 3.34Å; I72-Y347 HydrophobicContact CD1-CD1 4.22Å; I72-Y347 HydrophobicContact CD1-CD2 4.33Å; I72-Y347 HydrophobicContact CD1-CE1 3.93Å; I72-Y347 HydrophobicContact CD1-CE2 4.05Å; I72-Y347 HydrophobicContact CD1-CG 4.42Å
73L96.4Very high93.7Very high0 Ų040.5 Ų40.50%023%0.227CC..BIsolated β-bridgetrans-97.5148.9-177.2-53.3-178.3000113.1Q69 R75 V97 P98 L99 R100Q69-L73 HydrophobicContact CB-CD1 3.84Å; Q69-L73 HydrophobicContact CB-CG 4.39Å; Q69-L73 HydrophobicContact CG-CD1 3.77Å; Q69-L73 VanDerWaalsContact O-CB 3.23Å; Q69-L73 WeakPolarHBondContact O-CB 3.11Å; Q69-L73 PolarHBondContact O-N 2.96Å; L73-R75 PolarHBondContact O-N 3.36Å; L73-R75 VanDerWaalsContact O-N 3.13Å; L73-V97 HydrophobicContact CD1-CB 3.82Å; L73-V97 HydrophobicContact CD1-CG1 3.99Å; L73-V97 HydrophobicContact CD1-CG2 4.2Å; L73-V97 HydrophobicContact CD2-CB 3.87Å; L73-V97 HydrophobicContact CD2-CG2 3.68Å; L73-V97 HydrophobicContact CG-CB 4.47Å; L73-P98 CarbonylContact C-O 3.47Å; L73-P98 VanDerWaalsContact CA-O 3.24Å; L73-P98 WeakPolarHBondContact CA-O 3.44Å; L73-P98 WeakPolarHBondContact CB-O 3.3Å; L73-L99 HydrophobicContact CD2-CD2 3.87Å; L73-R100 PolarHBondContact O-NE 3.14Å; L73-R100 PolarHBondContact O-NH2 3.27Å
74D96.2Very high93.5Very high27 Ų2741 Ų4114%0.14422%0.22CC..  trans-79.889.3164.8-162.6-37.4000110.6A76 M77 Q78 P98D74-A76 PolarHBondContact O-N 2.91Å; D74-A76 WeakPolarHBondContact OD1-CB 3.43Å; D74-A76 PolarHBondContact OD1-N 2.92Å; D74-M77 HydrophobicContact CB-CB 4.2Å; D74-M77 PolarHBondContact OD1-N 3.42Å; D74-Q78 WeakPolarHBondContact O-CB 3.44Å; D74-Q78 PolarHBondContact O-N 2.99Å; D74-P98 HydrophobicContact CB-CB 4.32Å; D74-P98 HydrophobicContact CB-CG 4.29Å; D74-P98 PolarHBondContact N-O 3.09Å; D74-P98 VanDerWaalsContact O-CG 3.29Å; D74-P98 WeakPolarHBondContact O-CG 3.4Å
75R94.6Very high93.4Very high83 Ų8346.9 Ų46.931%0.31325%0.245SC..Hα-helixtrans-65.3-21.8178.4-66.6-62.4-124.6-161.9-4.7114.3Q69 L73 A79Q69-R75 VanDerWaalsContact OE1-CZ 3.23Å; L73-R75 PolarHBondContact O-N 3.36Å; L73-R75 VanDerWaalsContact O-N 3.13Å; R75-A79 WeakPolarHBondContact O-CB 3.38Å; R75-A79 PolarHBondContact O-N 3.1Å; R75-A79 VanDerWaalsContact O-N 3.16Å
76A92.9Very high93.4Very high72 Ų7244 Ų4460%0.59524%0.235SC*.Hα-helixtrans-76.2-52.317800000110D74 Q78 A79 S80D74-A76 PolarHBondContact O-N 2.91Å; D74-A76 WeakPolarHBondContact OD1-CB 3.43Å; D74-A76 PolarHBondContact OD1-N 2.92Å; A76-Q78 VanDerWaalsContact C-N 3.29Å; A76-Q78 PolarHBondContact O-N 3.26Å; A76-A79 PolarHBondContact O-N 2.88Å; A76-S80 VanDerWaalsContact O-CB 3.29Å; A76-S80 WeakPolarHBondContact O-CB 3.49Å; A76-S80 PolarHBondContact O-N 2.68Å
77M94.3Very high93.5Very high5 Ų539.6 Ų39.63%0.02521%0.214CC..Hα-helixtrans-61.1-39174.5-175.5-176.5-6400111.6D74 S80 L81 P98 D255 H258 A260D74-M77 HydrophobicContact CB-CB 4.2Å; D74-M77 PolarHBondContact OD1-N 3.42Å; M77-S80 PolarHBondContact O-N 2.81Å; M77-L81 HydrophobicContact CG-CD1 3.72Å; M77-L81 HydrophobicContact CG-CG 4.19Å; M77-L81 WeakPolarHBondContact O-CG 3.4Å; M77-L81 PolarHBondContact O-N 3.48Å; M77-L81 HydrophobicContact SD-CD1 4.24Å; M77-P98 HydrophobicContact SD-CB 4.18Å; M77-D255 HydrophobicContact CE-CB 4.34Å; M77-D255 HydrophobicContact CG-CB 3.95Å; M77-H258 HydrophobicContact CE-CB 4.33Å; M77-H258 WeakPolarHBondContact CE-O 3.21Å; M77-A260 HydrophobicContact CE-CB 3.85Å; M77-A260 HydrophobicContact SD-CB 3.69Å
78Q95.9Very high93.7Very high20 Ų2040.1 Ų40.19%0.09322%0.216CC..Hα-helixtrans-57.9-55.3176.2-172.6179.7100110.9D74 A76 S80 L81 E82 P98D74-Q78 WeakPolarHBondContact O-CB 3.44Å; D74-Q78 PolarHBondContact O-N 2.99Å; A76-Q78 VanDerWaalsContact C-N 3.29Å; A76-Q78 PolarHBondContact O-N 3.26Å; Q78-S80 VanDerWaalsContact C-N 3.33Å; Q78-S80 PolarHBondContact O-N 3.48Å; Q78-L81 PolarHBondContact O-N 3.32Å; Q78-E82 HydrophobicContact CG-CG 4.33Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.5Å; Q78-E82 PolarHBondContact NE2-OE1 3.28Å; Q78-E82 VanDerWaalsContact O-CB 3.32Å; Q78-E82 WeakPolarHBondContact O-CB 3.22Å; Q78-E82 VanDerWaalsContact O-CG 3.27Å; Q78-E82 WeakPolarHBondContact O-CG 3.19Å; Q78-E82 PolarHBondContact O-N 3.02Å; Q78-P98 HydrophobicContact CB-CG 3.77Å
79A94.9Very high93.6Very high53 Ų5342.4 Ų42.444%0.43823%0.225SC..Hα-helixtrans-62.1-40.8-177.800000112.1R75 A76 Q83R75-A79 WeakPolarHBondContact O-CB 3.38Å; R75-A79 PolarHBondContact O-N 3.1Å; R75-A79 VanDerWaalsContact O-N 3.16Å; A76-A79 PolarHBondContact O-N 2.88Å; A79-Q83 WeakPolarHBondContact O-CB 3.46Å; A79-Q83 PolarHBondContact O-N 2.92Å
80S93.3Very high93.5Very high39 Ų3941.3 Ų41.327%0.27322%0.221SC..Hα-helixtrans-59.5-54.3177.9-176.70000112.5A76 M77 Q78 E82 Q83 E84 D255A76-S80 VanDerWaalsContact O-CB 3.29Å; A76-S80 WeakPolarHBondContact O-CB 3.49Å; A76-S80 PolarHBondContact O-N 2.68Å; M77-S80 PolarHBondContact O-N 2.81Å; Q78-S80 VanDerWaalsContact C-N 3.33Å; Q78-S80 PolarHBondContact O-N 3.48Å; S80-E82 PolarHBondContact O-N 3.2Å; S80-Q83 PolarHBondContact O-N 3.39Å; S80-E84 PolarHBondContact O-N 2.63Å; S80-E84 VanDerWaalsContact O-N 3.13Å; S80-D255 WeakPolarHBondContact CB-OD2 3.36Å; S80-D255 PolarHBondContact OG-OD2 2.91Å
81L93.9Very high93.5Very high3 Ų350.1 Ų50.12%0.01625%0.246CC..Hα-helixtrans-71.7-29.7-178.4-63.2177.1000113M77 Q78 K85 K86 L87M77-L81 HydrophobicContact CG-CD1 3.72Å; M77-L81 HydrophobicContact CG-CG 4.19Å; M77-L81 WeakPolarHBondContact O-CG 3.4Å; M77-L81 PolarHBondContact O-N 3.48Å; M77-L81 HydrophobicContact SD-CD1 4.24Å; Q78-L81 PolarHBondContact O-N 3.32Å; L81-K85 PolarHBondContact O-N 2.97Å; L81-K86 HydrophobicContact CB-CB 4.49Å; L81-K86 HydrophobicContact CD2-CB 4.38Å; L81-K86 WeakPolarHBondContact O-CA 3.42Å; L81-K86 PolarHBondContact O-N 2.77Å; L81-L87 HydrophobicContact CB-CB 3.64Å; L81-L87 HydrophobicContact CB-CD2 4.19Å; L81-L87 PolarHBondContact O-N 3.16Å
82E95Very high93.5Very high70 Ų7052.4 Ų52.433%0.32726%0.257SS..Hα-helixtrans-72.2-40.2172.9-71.7178.7174.800111.6Q78 S80 K85 L87 N88Q78-E82 HydrophobicContact CG-CG 4.33Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.5Å; Q78-E82 PolarHBondContact NE2-OE1 3.28Å; Q78-E82 VanDerWaalsContact O-CB 3.32Å; Q78-E82 WeakPolarHBondContact O-CB 3.22Å; Q78-E82 VanDerWaalsContact O-CG 3.27Å; Q78-E82 WeakPolarHBondContact O-CG 3.19Å; Q78-E82 PolarHBondContact O-N 3.02Å; S80-E82 PolarHBondContact O-N 3.2Å; E82-K85 PolarHBondContact O-N 3.17Å; E82-K85 VanDerWaalsContact O-N 3.11Å; E82-L87 HydrophobicContact CG-CB 4.11Å; E82-L87 HydrophobicContact CG-CD2 4.17Å; E82-L87 HydrophobicContact CG-CG 4.06Å; E82-N88 HydrophobicContact CG-CB 4.22Å; E82-N88 PolarHBondContact OE1-ND2 3.11Å
83Q92Very high93.4Very high152 Ų15252.9 Ų52.971%0.7126%0.26SS*.Hα-helixtrans-63.6-44.1178.2177175.1-28.500112.4A79 S80 K85A79-Q83 WeakPolarHBondContact O-CB 3.46Å; A79-Q83 PolarHBondContact O-N 2.92Å; S80-Q83 PolarHBondContact O-N 3.39Å; Q83-K85 PolarHBondContact O-N 3.38Å
84E88.3Confident93.3Very high66 Ų6654 Ų5431%0.30826%0.264SS..THydrogen-bonded Turntrans-79.811.3175.4-65.8-64.715500113.2S80 K86 R218S80-E84 PolarHBondContact O-N 2.63Å; S80-E84 VanDerWaalsContact O-N 3.13Å; E84-K86 HydrophobicContact CB-CG 4.19Å; E84-K86 PolarHBondContact O-N 3.44Å; E84-R218 VanDerWaalsContact CD-CZ 3.44Å; E84-R218 VanDerWaalsContact CD-NH1 3.34Å; E84-R218 IonicContact OE1-CZ 3.13Å; E84-R218 IonicContact OE1-NH1 2.74Å; E84-R218 PolarHBondContact OE1-NH1 3.16Å; E84-R218 IonicContact OE1-NH2 3.34Å; E84-R218 PolarHBondContact OE1-NH2 2.71Å; E84-R218 IonicContact OE2-CZ 2.68Å; E84-R218 IonicContact OE2-NH1 3.77Å; E84-R218 PolarHBondContact OE2-NH1 2.7Å; E84-R218 IonicContact OE2-NH2 2.74Å; E84-R218 PolarHBondContact OE2-NH2 2.89Å
85K90.5Very high93.2Very high122 Ų12258.9 Ų58.953%0.5328%0.284SS..THydrogen-bonded Turntrans54.132.3178.5-55.7-175.2-179.7-176.30114.2L81 E82 Q83 W89 P280L81-K85 PolarHBondContact O-N 2.97Å; E82-K85 PolarHBondContact O-N 3.17Å; E82-K85 VanDerWaalsContact O-N 3.11Å; Q83-K85 PolarHBondContact O-N 3.38Å; K85-W89 HydrophobicContact CB-CB 4.23Å; K85-P280 HydrophobicContact CB-CG 3.96Å; K85-P280 WeakPolarHBondContact O-CD 3.47Å; K85-P280 VanDerWaalsContact O-CG 3.28Å; K85-P280 WeakPolarHBondContact O-CG 3.44Å
86K92.5Very high93.4Very high14 Ų1455.3 Ų55.36%0.06127%0.271CS..SBendtrans-89.1-36.5174.3-54.1-57.2-176.4-170.60111.3L81 E84 I212 A213 N279L81-K86 HydrophobicContact CB-CB 4.49Å; L81-K86 HydrophobicContact CD2-CB 4.38Å; L81-K86 WeakPolarHBondContact O-CA 3.42Å; L81-K86 PolarHBondContact O-N 2.77Å; E84-K86 HydrophobicContact CB-CG 4.19Å; E84-K86 PolarHBondContact O-N 3.44Å; K86-I212 HydrophobicContact CB-CG2 3.81Å; K86-I212 WeakPolarHBondContact O-CG2 3.36Å; K86-A213 WeakPolarHBondContact CG-O 3.45Å; K86-N279 WeakPolarHBondContact CD-OD1 3.25Å
87L95.8Very high93.5Very high3 Ų352.2 Ų52.22%0.01625%0.245CC..SBendtrans-110.1145.4179.6-178.860000111.2L81 E82 W89 M96 L262L81-L87 HydrophobicContact CB-CB 3.64Å; L81-L87 HydrophobicContact CB-CD2 4.19Å; L81-L87 PolarHBondContact O-N 3.16Å; E82-L87 HydrophobicContact CG-CB 4.11Å; E82-L87 HydrophobicContact CG-CD2 4.17Å; E82-L87 HydrophobicContact CG-CG 4.06Å; L87-W89 PolarHBondContact O-N 3.21Å; L87-M96 HydrophobicContact CD1-CB 4.1Å; L87-M96 HydrophobicContact CD1-CE 4.24Å; L87-L262 HydrophobicContact CD1-CD1 4.08Å; L87-L262 HydrophobicContact CD1-CD2 3.94Å; L87-L262 HydrophobicContact CD2-CD2 3.72Å
88N95.1Very high93.7Very high41 Ų4152 Ų5222%0.21924%0.244CC..SBendtrans50.127.1170.7-60.4-25.9000116.6E82 K95 M96E82-N88 HydrophobicContact CG-CB 4.22Å; E82-N88 PolarHBondContact OE1-ND2 3.11Å; N88-K95 WeakPolarHBondContact OD1-CA 3.23Å; N88-M96 PolarHBondContact ND2-O 2.61Å; N88-M96 PolarHBondContact OD1-N 2.86Å; N88-M96 PolarHBondContact OD1-O 3.19Å
89W92.3Very high93.8Very high48 Ų4851.1 Ų51.118%0.18224%0.24CC..  trans-82-27.8-17663.8-98.4000114.2K85 L87 P276 I278 P280 F285 L319 M327K85-W89 HydrophobicContact CB-CB 4.23Å; L87-W89 PolarHBondContact O-N 3.21Å; W89-P276 HydrophobicContact CZ2-CB 3.8Å; W89-P276 HydrophobicContact CZ2-CG 3.79Å; W89-I278 HydrophobicContact CH2-CD1 3.88Å; W89-I278 HydrophobicContact CH2-CG1 4.39Å; W89-I278 HydrophobicContact CZ2-CD1 4.08Å; W89-I278 HydrophobicContact CZ2-CG1 4.08Å; W89-P280 HydrophobicContact CD2-CG 3.85Å; W89-P280 HydrophobicContact CE3-CB 4.5Å; W89-P280 HydrophobicContact CE3-CG 4.22Å; W89-P280 HydrophobicContact CG-CG 4Å; W89-F285 HydrophobicContact CH2-CE1 4.19Å; W89-F285 HydrophobicContact CZ3-CE1 4.3Å; W89-L319 HydrophobicContact CZ3-CD1 4.29Å; W89-M327 HydrophobicContact CH2-SD 3.82Å; W89-M327 HydrophobicContact CZ2-SD 4.35Å
90C91.4Very high93.8Very high12 Ų1251.9 Ų51.98%0.08123%0.231CC..  trans-86.9140174.7167.50000109.6E92 L93 M327C90-E92 PolarHBondContact SG-OE2 3.46Å; C90-L93 HydrophobicContact CB-CB 4.48Å; C90-L93 HydrophobicContact CB-CD1 4.09Å; C90-L93 HydrophobicContact CB-CG 4.4Å; C90-M327 HydrophobicContact CB-CE 4.2Å; C90-M327 WeakPolarHBondContact SG-CE 3.4Å
91R90.6Very high93.9Very high221 Ų22150.5 Ų50.583%0.83422%0.222SC*.SBendtrans-94.7-22-175.9-66.2-179.3174.6-171.5-1.4112.9L93 E271R91-L93 PolarHBondContact O-N 3.45Å; R91-E271 WeakPolarHBondContact O-CG 3.24Å
92E92.1Very high93.8Very high48 Ų4852.8 Ų52.822%0.22423%0.234CC..SBendtrans-76.9-5.3179.8-56.683.8169.100111.9C90 I272 I314 V316 I317C90-E92 PolarHBondContact SG-OE2 3.46Å; E92-I272 PolarHBondContact O-N 3.36Å; E92-I314 HydrophobicContact CB-CG2 3.91Å; E92-V316 WeakPolarHBondContact OE1-CA 3.4Å; E92-I317 PolarHBondContact OE1-N 3.36Å; E92-I317 VanDerWaalsContact OE1-N 3.16Å
93L93.9Very high93.5Very high12 Ų1252 Ų526%0.06325%0.245CC..BIsolated β-bridgetrans-116.7145.9-176.5-73.9-179.9000113.4C90 R91 I272 A274 P276 I314 M327C90-L93 HydrophobicContact CB-CB 4.48Å; C90-L93 HydrophobicContact CB-CD1 4.09Å; C90-L93 HydrophobicContact CB-CG 4.4Å; R91-L93 PolarHBondContact O-N 3.45Å; L93-I272 WeakPolarHBondContact CA-O 3.4Å; L93-I272 HydrophobicContact CD2-CB 4.14Å; L93-I272 HydrophobicContact CD2-CG2 4.44Å; L93-I272 VanDerWaalsContact CD2-O 3.29Å; L93-I272 WeakPolarHBondContact CD2-O 3.06Å; L93-A274 HydrophobicContact CD2-CB 3.68Å; L93-A274 WeakPolarHBondContact CD2-O 3.44Å; L93-P276 HydrophobicContact CD1-CG 3.55Å; L93-I314 HydrophobicContact CD2-CD1 3.43Å; L93-I314 VanDerWaalsContact CD2-CD1 3.43Å; L93-I314 HydrophobicContact CG-CD1 4.2Å; L93-M327 HydrophobicContact CD1-CE 3.67Å; L93-M327 HydrophobicContact CG-CE 4.06Å
94K94.6Very high93.3Very high22 Ų2246.1 Ų46.110%0.09622%0.218CC..  trans-62.1137.9174-68.7-153.2171-145.30111.8D267 E271 I272 R273K94-D267 WeakPolarHBondContact CE-OD1 3.18Å; K94-D267 PolarHBondContact NZ-O 2.86Å; K94-D267 IonicContact NZ-OD1 3.34Å; K94-D267 PolarHBondContact NZ-OD1 3.2Å; K94-E271 WeakPolarHBondContact CE-O 3.38Å; K94-E271 HydrophobicContact CG-CB 3.98Å; K94-E271 VanDerWaalsContact CG-O 3.22Å; K94-E271 WeakPolarHBondContact CG-O 3.48Å; K94-I272 PolarHBondContact N-O 2.88Å; K94-R273 HydrophobicContact CD-CB 4.06Å; K94-R273 HydrophobicContact CD-CG 4.11Å; K94-R273 HydrophobicContact CG-CB 4.32Å
95K94.1Very high93.3Very high130 Ų13043.2 Ų43.257%0.56521%0.206SC*.  trans-68.6135.7177.4-65.7-177.1-179.2-179.50111.2N88 V265N88-K95 WeakPolarHBondContact OD1-CA 3.23Å; K95-V265 PolarHBondContact O-N 3.13Å
96M97.1Very high93.6Very high9 Ų937.4 Ų37.44%0.04418%0.181CC..EExtended strand (participates in β ladder)trans-105.9147170.5-65.5174.1-72.900110.2L87 N88 V251 L262 I263 T264 V275 L332L87-M96 HydrophobicContact CD1-CB 4.1Å; L87-M96 HydrophobicContact CD1-CE 4.24Å; N88-M96 PolarHBondContact ND2-O 2.61Å; N88-M96 PolarHBondContact OD1-N 2.86Å; N88-M96 PolarHBondContact OD1-O 3.19Å; M96-V251 HydrophobicContact SD-CB 4.3Å; M96-V251 HydrophobicContact SD-CG1 4Å; M96-V251 HydrophobicContact SD-CG2 4.33Å; M96-L262 HydrophobicContact CB-CB 4.11Å; M96-L262 HydrophobicContact SD-CB 4.39Å; M96-I263 CarbonylContact C-O 3.43Å; M96-I263 VanDerWaalsContact CA-O 3.26Å; M96-I263 WeakPolarHBondContact CA-O 3.32Å; M96-T264 HydrophobicContact CG-CG2 3.78Å; M96-V275 HydrophobicContact CE-CB 4.36Å; M96-V275 HydrophobicContact CE-CG2 4.08Å; M96-L332 HydrophobicContact CG-CD1 4.36Å; M96-L332 HydrophobicContact SD-CD1 3.69Å
97V96.9Very high93.8Very high7 Ų737.2 Ų37.24%0.04218%0.181CC..EExtended strand (participates in β ladder)trans-131.2136.4-179.3-68.80000111.2M54 L73 L99 I263 V265M54-V97 HydrophobicContact CB-CG2 4.39Å; M54-V97 HydrophobicContact CG-CG2 4.31Å; L73-V97 HydrophobicContact CD1-CB 3.82Å; L73-V97 HydrophobicContact CD1-CG1 3.99Å; L73-V97 HydrophobicContact CD1-CG2 4.2Å; L73-V97 HydrophobicContact CD2-CB 3.87Å; L73-V97 HydrophobicContact CD2-CG2 3.68Å; L73-V97 HydrophobicContact CG-CB 4.47Å; V97-L99 PolarHBondContact O-N 3.49Å; V97-I263 HydrophobicContact CG2-CG1 4.26Å; V97-I263 PolarHBondContact N-O 3Å; V97-I263 PolarHBondContact O-N 3.41Å; V97-I263 VanDerWaalsContact O-N 3.08Å; V97-V265 HydrophobicContact CG1-CG2 4.37Å; V97-V265 HydrophobicContact CG2-CG2 4.22Å
98P97.9Very high93.9Very high0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-77.5121.7178.729.6-33.2000110.9L73 D74 M77 Q78 A260 P261 L262L73-P98 CarbonylContact C-O 3.47Å; L73-P98 VanDerWaalsContact CA-O 3.24Å; L73-P98 WeakPolarHBondContact CA-O 3.44Å; L73-P98 WeakPolarHBondContact CB-O 3.3Å; D74-P98 HydrophobicContact CB-CB 4.32Å; D74-P98 HydrophobicContact CB-CG 4.29Å; D74-P98 PolarHBondContact N-O 3.09Å; D74-P98 VanDerWaalsContact O-CG 3.29Å; D74-P98 WeakPolarHBondContact O-CG 3.4Å; M77-P98 HydrophobicContact SD-CB 4.18Å; Q78-P98 HydrophobicContact CB-CG 3.77Å; P98-A260 HydrophobicContact CB-CB 4Å; P98-P261 WeakPolarHBondContact CA-O 3.49Å; P98-L262 HydrophobicContact CB-CD2 3.9Å; P98-L262 HydrophobicContact CG-CD2 4.32Å
99L97.4Very high94.1Very high2 Ų235.1 Ų35.11%0.0117%0.17CC..BIsolated β-bridgetrans-73146.3167.6-64-173000111.1L52 I72 L73 V97 T101 A260 P261 I263L52-L99 HydrophobicContact CD2-CD1 3.69Å; I72-L99 HydrophobicContact CD1-CD2 4.3Å; I72-L99 HydrophobicContact CG1-CD2 4.23Å; L73-L99 HydrophobicContact CD2-CD2 3.87Å; V97-L99 PolarHBondContact O-N 3.49Å; L99-T101 PolarHBondContact O-N 2.79Å; L99-T101 PolarHBondContact O-OG1 2.77Å; L99-A260 WeakPolarHBondContact O-CB 3.38Å; L99-P261 HydrophobicContact CB-CG 3.87Å; L99-P261 HydrophobicContact CD1-CG 4.38Å; L99-P261 HydrophobicContact CG-CG 4.28Å; L99-P261 PolarHBondContact N-O 2.89Å; L99-P261 VanDerWaalsContact N-O 3.13Å; L99-I263 HydrophobicContact CD1-CD1 3.83Å; L99-I263 HydrophobicContact CD2-CD1 3.74Å; L99-I263 HydrophobicContact CD2-CG1 4.32Å; L99-I263 HydrophobicContact CG-CD1 3.72Å; L99-I263 HydrophobicContact CG-CG1 4.15Å
100R95.6Very high94.4Very high68 Ų6833 Ų3326%0.25716%0.162SC..PPolyproline II helixtrans-56.4134.2168.9-69.1-173.4-174.1-69-1.5111.1F11 A70 A71 I72 L73 Q114F11-R100 HydrophobicContact CD1-CB 4.07Å; F11-R100 HydrophobicContact CE1-CB 3.76Å; A70-R100 PolarHBondContact O-NH2 3.29Å; A71-R100 VanDerWaalsContact O-CD 3.29Å; A71-R100 WeakPolarHBondContact O-CD 3.36Å; A71-R100 PolarHBondContact O-NE 3.43Å; I72-R100 WeakPolarHBondContact O-CG 3.47Å; I72-R100 PolarHBondContact O-N 3.34Å; L73-R100 PolarHBondContact O-NE 3.14Å; L73-R100 PolarHBondContact O-NH2 3.27Å; R100-Q114 PolarHBondContact O-NE2 3.45Å; R100-Q114 PolarHBondContact O-OE1 3.38Å
101T95Very high94.7Very high11 Ų1132.4 Ų32.47%0.06716%0.158CC..  trans-129153.2-178.4-56.70000108.8L99 C107 H110 A111 Q114 H258 F259 P261L99-T101 PolarHBondContact O-N 2.79Å; L99-T101 PolarHBondContact O-OG1 2.77Å; T101-C107 HydrophobicContact CG2-CB 4.25Å; T101-H110 HydrophobicContact CG2-CB 3.58Å; T101-A111 HydrophobicContact CG2-CB 4.28Å; T101-Q114 PolarHBondContact OG1-OE1 2.76Å; T101-H258 PolarHBondContact O-CE1 3.18Å; T101-H258 PolarHBondContact O-NE2 2.97Å; T101-F259 WeakPolarHBondContact CB-O 3.16Å; T101-F259 WeakPolarHBondContact CG2-O 3.39Å; T101-P261 VanDerWaalsContact OG1-CD 3.27Å; T101-P261 WeakPolarHBondContact OG1-CD 3.39Å
102N91.1Very high95.1Very high50 Ų5021.9 Ų21.927%0.26712%0.118SC..  trans-78133.8177.3-78.21.5000111.1F11 D104 C107 Q120F11-N102 WeakPolarHBondContact CE1-OD1 3.32Å; F11-N102 WeakPolarHBondContact CZ-OD1 3.4Å; N102-D104 PolarHBondContact O-N 2.85Å; N102-C107 VanDerWaalsContact O-CB 3.27Å; N102-C107 WeakPolarHBondContact O-CB 3.28Å; N102-Q120 PolarHBondContact ND2-OE1 2.8Å
103G88.8Confident95.4Very high55 Ų5519.8 Ų19.857%0.56711%0.109SC*.  trans-96.251.1177.200000113.4
104D87.4Confident95.6Very high28 Ų2819.5 Ų19.515%0.1511%0.107CC..SBendtrans-94.2-1.5-176.873.2-23.4000114.1N102 N106 H110 Q189 F190N102-D104 PolarHBondContact O-N 2.85Å; D104-N106 WeakPolarHBondContact OD1-CA 3.36Å; D104-N106 WeakPolarHBondContact OD1-CB 3.47Å; D104-N106 PolarHBondContact OD1-N 2.98Å; D104-H110 IonicContact OD1-CD2 3.2Å; D104-H110 IonicContact OD1-NE2 3.58Å; D104-H110 PolarHBondContact OD1-NE2 3.43Å; D104-H110 IonicContact OD2-NE2 2.68Å; D104-Q189 HydrophobicContact CB-CB 4.18Å; D104-Q189 PolarHBondContact O-N 2.7Å; D104-F190 PolarHBondContact O-N 2.78Å; D104-F190 WeakPolarHBondContact OD2-CD2 3.47Å; D104-F190 VanDerWaalsContact OD2-CE2 3.32Å; D104-F190 WeakPolarHBondContact OD2-CE2 3.29Å
105G89.3Confident95.8Very high5 Ų518.6 Ų18.65%0.05210%0.103CC..SBendtrans109.6-28.9-169.400000113.2C107G105-C107 VanDerWaalsContact C-N 3.29Å; G105-C107 PolarHBondContact O-N 3.38Å
106N96.1Very high96Very high0 Ų012.5 Ų12.50%08%0.077CC..  trans-88.914.8-178.5-161.528000113.9D104 L108 L109 H110 D121 L124 R127 F190D104-N106 WeakPolarHBondContact OD1-CA 3.36Å; D104-N106 WeakPolarHBondContact OD1-CB 3.47Å; D104-N106 PolarHBondContact OD1-N 2.98Å; N106-L108 VanDerWaalsContact C-N 3.29Å; N106-L108 PolarHBondContact O-N 2.87Å; N106-L108 VanDerWaalsContact O-N 3.16Å; N106-L109 PolarHBondContact O-N 3.47Å; N106-L109 WeakPolarHBondContact OD1-CB 3.1Å; N106-L109 WeakPolarHBondContact OD1-CD1 3.4Å; N106-L109 WeakPolarHBondContact OD1-CG 3.39Å; N106-H110 PolarHBondContact ND2-CE1 3.25Å; N106-H110 PolarHBondContact ND2-ND1 3.1Å; N106-H110 PolarHBondContact O-N 3.1Å; N106-D121 PolarHBondContact ND2-O 2.85Å; N106-D121 PolarHBondContact ND2-OD2 3.16Å; N106-L124 WeakPolarHBondContact ND2-CD2 3.24Å; N106-R127 WeakPolarHBondContact OD1-CD 3.28Å; N106-F190 HydrophobicContact CB-CD2 3.96Å; N106-F190 HydrophobicContact CB-CE2 4.5Å
107C96.7Very high96.1Very high9 Ų912.2 Ų12.26%0.0618%0.076CC..Hα-helixtrans-58.1-33.8-168.762.60000114.5T101 N102 G105 L109 H110 A111 H258 F259T101-C107 HydrophobicContact CG2-CB 4.25Å; N102-C107 VanDerWaalsContact O-CB 3.27Å; N102-C107 WeakPolarHBondContact O-CB 3.28Å; G105-C107 VanDerWaalsContact C-N 3.29Å; G105-C107 PolarHBondContact O-N 3.38Å; C107-L109 PolarHBondContact O-N 3.5Å; C107-H110 PolarHBondContact O-N 2.88Å; C107-A111 VanDerWaalsContact O-CB 3.24Å; C107-A111 WeakPolarHBondContact O-CB 3.44Å; C107-A111 PolarHBondContact O-N 3.23Å; C107-H258 WeakPolarHBondContact CB-ND1 3.47Å; C107-F259 HydrophobicContact CB-CB 4.47Å; C107-F259 PolarHBondContact SG-N 2.87Å
108L98.6Very high96.1Very high1 Ų112 Ų121%0.0057%0.074CC..Hα-helixtrans-56.2-47.4174175.663.2000112.2N106 A111 A112 L193 H197 I198 L201 L252 F259N106-L108 VanDerWaalsContact C-N 3.29Å; N106-L108 PolarHBondContact O-N 2.87Å; N106-L108 VanDerWaalsContact O-N 3.16Å; L108-A111 PolarHBondContact O-N 2.89Å; L108-A112 PolarHBondContact O-N 3.27Å; L108-L193 HydrophobicContact CB-CD1 4.46Å; L108-L193 HydrophobicContact CD2-CB 3.91Å; L108-L193 HydrophobicContact CD2-CD1 4.06Å; L108-H197 HydrophobicContact CD2-CB 4.33Å; L108-I198 HydrophobicContact CD1-CD1 4.31Å; L108-I198 HydrophobicContact CD1-CG1 3.88Å; L108-I198 HydrophobicContact CD1-CG2 4.42Å; L108-I198 HydrophobicContact CD2-CG1 3.81Å; L108-L201 HydrophobicContact CD1-CD2 4.4Å; L108-L201 HydrophobicContact CD2-CD2 4.43Å; L108-L201 HydrophobicContact CG-CD2 4.14Å; L108-L252 HydrophobicContact CD1-CD1 3.75Å; L108-F259 HydrophobicContact CB-CD2 3.71Å; L108-F259 HydrophobicContact CB-CE2 4Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CD1-CD1 3.95Å; L108-F259 HydrophobicContact CD1-CD2 4.18Å; L108-F259 HydrophobicContact CD1-CE1 3.92Å; L108-F259 HydrophobicContact CD1-CE2 4.15Å; L108-F259 HydrophobicContact CD1-CG 4.09Å; L108-F259 HydrophobicContact CD1-CZ 4.03Å
109L98.6Very high96Very high0 Ų012 Ų120%07%0.074CC..Hα-helixtrans-83.1-30.7-174.4-49.8-172.8000111.3N106 C107 S113 D121 L126 R127 L130 L193 L201N106-L109 PolarHBondContact O-N 3.47Å; N106-L109 WeakPolarHBondContact OD1-CB 3.1Å; N106-L109 WeakPolarHBondContact OD1-CD1 3.4Å; N106-L109 WeakPolarHBondContact OD1-CG 3.39Å; C107-L109 PolarHBondContact O-N 3.5Å; L109-S113 WeakPolarHBondContact O-CB 3.42Å; L109-S113 PolarHBondContact O-N 3.46Å; L109-D121 HydrophobicContact CB-CB 4.2Å; L109-L126 HydrophobicContact CB-CB 4.09Å; L109-L126 HydrophobicContact CB-CD1 4.47Å; L109-L126 HydrophobicContact CD1-CB 4.13Å; L109-R127 HydrophobicContact CD1-CB 3.61Å; L109-R127 HydrophobicContact CD1-CG 4.03Å; L109-R127 VanDerWaalsContact CD1-N 3.32Å; L109-L130 HydrophobicContact CD1-CD2 4.12Å; L109-L130 HydrophobicContact CD2-CD2 4.41Å; L109-L193 HydrophobicContact CD1-CD1 4.03Å; L109-L193 HydrophobicContact CD2-CD1 4.32Å; L109-L193 HydrophobicContact CG-CD1 3.97Å; L109-L201 HydrophobicContact CD2-CD1 3.81Å; L109-L201 HydrophobicContact CD2-CD2 3.54Å; L109-L201 HydrophobicContact CD2-CG 4.21Å
110H98.4Very high96Very high2 Ų212 Ų121%0.0097%0.074CC..Hα-helixtrans-58.4-48.3164.7-69.3-13.3000112T101 D104 N106 C107 S113 Q114 Q120 D121T101-H110 HydrophobicContact CG2-CB 3.58Å; D104-H110 IonicContact OD1-CD2 3.2Å; D104-H110 IonicContact OD1-NE2 3.58Å; D104-H110 PolarHBondContact OD1-NE2 3.43Å; D104-H110 IonicContact OD2-NE2 2.68Å; N106-H110 PolarHBondContact ND2-CE1 3.25Å; N106-H110 PolarHBondContact ND2-ND1 3.1Å; N106-H110 PolarHBondContact O-N 3.1Å; C107-H110 PolarHBondContact O-N 2.88Å; H110-S113 PolarHBondContact O-N 3.39Å; H110-Q114 WeakPolarHBondContact O-CB 3.44Å; H110-Q114 WeakPolarHBondContact O-CG 3.29Å; H110-Q114 PolarHBondContact O-N 3.02Å; H110-Q120 HydrophobicContact CB-CB 4.22Å; H110-Q120 HydrophobicContact CB-CG 4.01Å; H110-D121 PolarHBondContact CE1-O 2.92Å; H110-D121 PolarHBondContact ND1-N 3.43Å
111A98.8Very high96.1Very high0 Ų09 Ų90%06%0.064CC..Hα-helixtrans-65.5-48.118000000111.9T101 C107 L108 S113 Q114 Y115 L252 F259 P261T101-A111 HydrophobicContact CG2-CB 4.28Å; C107-A111 VanDerWaalsContact O-CB 3.24Å; C107-A111 WeakPolarHBondContact O-CB 3.44Å; C107-A111 PolarHBondContact O-N 3.23Å; L108-A111 PolarHBondContact O-N 2.89Å; A111-S113 VanDerWaalsContact C-N 3.34Å; A111-S113 PolarHBondContact O-N 3.07Å; A111-Q114 PolarHBondContact O-N 2.73Å; A111-Y115 PolarHBondContact O-N 3.18Å; A111-L252 HydrophobicContact CB-CD2 3.89Å; A111-F259 HydrophobicContact CB-CB 4.09Å; A111-P261 WeakPolarHBondContact O-CB 3.4Å
112A98.8Very high96.1Very high0 Ų011.5 Ų11.50%08%0.079CC..Hα-helixtrans-59.9-42.7175.500000112.3L108 Y115 M116 L201 L205L108-A112 PolarHBondContact O-N 3.27Å; A112-Y115 PolarHBondContact O-N 3.32Å; A112-M116 VanDerWaalsContact O-CE 3.24Å; A112-M116 WeakPolarHBondContact O-CE 3.34Å; A112-M116 PolarHBondContact O-N 2.56Å; A112-L201 HydrophobicContact CB-CD2 3.96Å; A112-L205 HydrophobicContact CB-CD1 4.45Å
113S98.6Very high96.3Very high5 Ų510.9 Ų10.94%0.0358%0.076CC..Hα-helixtrans-64-40.3175.1-167.70000112.1L109 H110 A111 M116 L117 V119L109-S113 WeakPolarHBondContact O-CB 3.42Å; L109-S113 PolarHBondContact O-N 3.46Å; H110-S113 PolarHBondContact O-N 3.39Å; A111-S113 VanDerWaalsContact C-N 3.34Å; A111-S113 PolarHBondContact O-N 3.07Å; S113-M116 PolarHBondContact O-N 3.48Å; S113-L117 WeakPolarHBondContact O-CA 3.47Å; S113-L117 WeakPolarHBondContact O-CB 3.42Å; S113-L117 PolarHBondContact O-N 2.85Å; S113-V119 CarbonylContact C-O 3.5Å; S113-V119 VanDerWaalsContact CB-O 3.3Å; S113-V119 WeakPolarHBondContact CB-O 3.39Å; S113-V119 PolarHBondContact OG-O 3.46Å; S113-V119 VanDerWaalsContact OG-O 3.05Å
114Q98.4Very high96.7Very high6 Ų69.3 Ų9.33%0.0285%0.054CC..Hα-helixtrans-65.7-43.1176.5-80.9-179.9-116.700111.6L52 R100 T101 H110 A111 M116 G118 V119 Q120 P261L52-Q114 WeakPolarHBondContact CD2-O 3.42Å; R100-Q114 PolarHBondContact O-NE2 3.45Å; R100-Q114 PolarHBondContact O-OE1 3.38Å; T101-Q114 PolarHBondContact OG1-OE1 2.76Å; H110-Q114 WeakPolarHBondContact O-CB 3.44Å; H110-Q114 WeakPolarHBondContact O-CG 3.29Å; H110-Q114 PolarHBondContact O-N 3.02Å; A111-Q114 PolarHBondContact O-N 2.73Å; Q114-M116 VanDerWaalsContact C-N 3.29Å; Q114-M116 PolarHBondContact O-N 3.3Å; Q114-G118 WeakPolarHBondContact O-CA 3.48Å; Q114-G118 PolarHBondContact O-N 2.9Å; Q114-V119 WeakPolarHBondContact CA-O 3.13Å; Q114-V119 WeakPolarHBondContact CG-O 3.15Å; Q114-V119 PolarHBondContact N-O 2.9Å; Q114-Q120 HydrophobicContact CG-CG 3.77Å; Q114-P261 HydrophobicContact CB-CG 3.8Å
115Y98.8Very high97.2Very high2 Ų28.9 Ų8.91%0.0085%0.052CC..Hα-helixtrans-58.8-39.6177.9-167.8-80.1000112.3T51 L52 A111 A112 I250 V251 P261 L262 I263T51-Y115 HydrophobicContact CG2-CE1 3.88Å; L52-Y115 VanDerWaalsContact CB-O 3.27Å; L52-Y115 WeakPolarHBondContact CB-O 3.45Å; L52-Y115 PolarHBondContact N-O 3.06Å; A111-Y115 PolarHBondContact O-N 3.18Å; A112-Y115 PolarHBondContact O-N 3.32Å; Y115-I250 HydrophobicContact CD1-CB 4.14Å; Y115-I250 HydrophobicContact CD1-CG1 3.92Å; Y115-I250 HydrophobicContact CD1-CG2 3.95Å; Y115-I250 HydrophobicContact CD2-CG2 4.15Å; Y115-I250 HydrophobicContact CE1-CB 4.4Å; Y115-I250 HydrophobicContact CE1-CG1 4.32Å; Y115-I250 HydrophobicContact CG-CB 4.43Å; Y115-I250 HydrophobicContact CG-CG2 3.74Å; Y115-V251 VanDerWaalsContact CD2-O 3.29Å; Y115-V251 WeakPolarHBondContact CD2-O 3.29Å; Y115-V251 HydrophobicContact CE2-CB 4Å; Y115-V251 HydrophobicContact CE2-CG2 4.41Å; Y115-V251 VanDerWaalsContact CE2-N 3.25Å; Y115-V251 WeakPolarHBondContact CE2-O 3.37Å; Y115-P261 HydrophobicContact CD2-CB 4.02Å; Y115-P261 HydrophobicContact CG-CB 4.45Å; Y115-L262 WeakPolarHBondContact CE2-O 3.42Å; Y115-I263 HydrophobicContact CD2-CG2 3.99Å; Y115-I263 HydrophobicContact CE2-CG2 4.3Å
116M98.5Very high97.6Very high2 Ų28.8 Ų8.81%0.015%0.051CC..Hα-helixtrans-85.2-39-179-64.6179.5-70.600113.4H48 Y50 A112 S113 Q114 L205 I250H48-M116 HydrophobicContact CB-SD 4.4Å; Y50-M116 CarbonylContact C-O 3.58Å; Y50-M116 WeakPolarHBondContact CB-O 3.44Å; Y50-M116 WeakPolarHBondContact O-CA 3.45Å; A112-M116 VanDerWaalsContact O-CE 3.24Å; A112-M116 WeakPolarHBondContact O-CE 3.34Å; A112-M116 PolarHBondContact O-N 2.56Å; S113-M116 PolarHBondContact O-N 3.48Å; Q114-M116 VanDerWaalsContact C-N 3.29Å; Q114-M116 PolarHBondContact O-N 3.3Å; M116-L205 HydrophobicContact CE-CD1 3.82Å; M116-L205 HydrophobicContact CE-CD2 3.72Å; M116-L205 HydrophobicContact CE-CG 4.44Å; M116-L205 HydrophobicContact SD-CD1 4.15Å; M116-L205 HydrophobicContact SD-CD2 4.1Å; M116-I250 HydrophobicContact CE-CD1 4.27Å; M116-I250 HydrophobicContact CG-CD1 3.85Å; M116-I250 HydrophobicContact CG-CG1 4.39Å; M116-I250 HydrophobicContact SD-CD1 3.77Å
117L98Very high97.7Very high4 Ų48.8 Ų8.82%0.0215%0.051CC..Hα-helixtrans-132.5-1.7-160.3-56.8176.9000115.2I23 V27 M47 Y50 S113 V119 L337 M341I23-L117 HydrophobicContact CG2-CB 4.04Å; I23-L117 HydrophobicContact CG2-CD1 4.36Å; V27-L117 HydrophobicContact CG2-CD1 3.67Å; M47-L117 HydrophobicContact CB-CD2 4.5Å; M47-L117 HydrophobicContact CE-CD1 3.85Å; M47-L117 HydrophobicContact CE-CD2 3.73Å; M47-L117 HydrophobicContact CE-CG 4.47Å; Y50-L117 HydrophobicContact CD2-CD2 3.85Å; Y50-L117 HydrophobicContact CG-CD2 4.41Å; S113-L117 WeakPolarHBondContact O-CA 3.47Å; S113-L117 WeakPolarHBondContact O-CB 3.42Å; S113-L117 PolarHBondContact O-N 2.85Å; L117-V119 HydrophobicContact CB-CG2 3.93Å; L117-V119 PolarHBondContact O-N 3.31Å; L117-V119 VanDerWaalsContact O-N 3.09Å; L117-L337 HydrophobicContact CD2-CD2 4.33Å; L117-M341 HydrophobicContact CD2-CE 3.79Å
118G96.6Very high97.8Very high1 Ų113.4 Ų13.41%0.017%0.07CC..SBendtrans67.53.4-17700000116.1Q114Q114-G118 WeakPolarHBondContact O-CA 3.48Å; Q114-G118 PolarHBondContact O-N 2.9Å
119V97.3Very high97.7Very high1 Ų113.5 Ų13.51%0.0067%0.07CC..SBendtrans-116.4156.4176.3-64.20000111.1A20 I23 R24 S113 Q114 L117 L343A20-V119 HydrophobicContact CB-CG1 3.97Å; I23-V119 HydrophobicContact CB-CG1 4.16Å; I23-V119 HydrophobicContact CB-CG2 4.47Å; I23-V119 HydrophobicContact CD1-CG1 4Å; I23-V119 HydrophobicContact CG2-CG1 4.11Å; I23-V119 HydrophobicContact CG2-CG2 3.67Å; R24-V119 HydrophobicContact CG-CB 4.22Å; R24-V119 HydrophobicContact CG-CG2 4.02Å; S113-V119 CarbonylContact C-O 3.5Å; S113-V119 VanDerWaalsContact CB-O 3.3Å; S113-V119 WeakPolarHBondContact CB-O 3.39Å; S113-V119 PolarHBondContact OG-O 3.46Å; S113-V119 VanDerWaalsContact OG-O 3.05Å; Q114-V119 WeakPolarHBondContact CA-O 3.13Å; Q114-V119 WeakPolarHBondContact CG-O 3.15Å; Q114-V119 PolarHBondContact N-O 2.9Å; L117-V119 HydrophobicContact CB-CG2 3.93Å; L117-V119 PolarHBondContact O-N 3.31Å; L117-V119 VanDerWaalsContact O-N 3.09Å; V119-L343 HydrophobicContact CG1-CD1 3.47Å; V119-L343 VanDerWaalsContact CG1-CD1 3.47Å
120Q97.1Very high97.7Very high2 Ų213.5 Ų13.51%0.0097%0.07CC..  trans-88.9153.8171.1-72.9176-6.100111N102 H110 Q114 T122N102-Q120 PolarHBondContact ND2-OE1 2.8Å; H110-Q120 HydrophobicContact CB-CB 4.22Å; H110-Q120 HydrophobicContact CB-CG 4.01Å; Q114-Q120 HydrophobicContact CG-CG 3.77Å; Q120-T122 HydrophobicContact CB-CG2 3.96Å; Q120-T122 PolarHBondContact O-N 2.97Å
121D97.7Very high97.7Very high6 Ų615.3 Ų15.33%0.0328%0.079CC..  trans-70.452.8172.7-170.745.7000113.1N106 L109 H110 L124 V125 L126 R127N106-D121 PolarHBondContact ND2-O 2.85Å; N106-D121 PolarHBondContact ND2-OD2 3.16Å; L109-D121 HydrophobicContact CB-CB 4.2Å; H110-D121 PolarHBondContact CE1-O 2.92Å; H110-D121 PolarHBondContact ND1-N 3.43Å; D121-L124 PolarHBondContact O-N 3.01Å; D121-L124 VanDerWaalsContact O-N 3.16Å; D121-L124 WeakPolarHBondContact OD2-CA 3.31Å; D121-V125 WeakPolarHBondContact OD1-CA 3.27Å; D121-V125 PolarHBondContact OD1-N 2.86Å; D121-L126 HydrophobicContact CB-CB 4.49Å; D121-L126 PolarHBondContact OD1-N 2.99Å; D121-L126 PolarHBondContact OD2-N 3.32Å; D121-R127 PolarHBondContact OD2-N 3.16Å; D121-R127 VanDerWaalsContact OD2-N 3.07Å
122T94.6Very high97.5Very high62 Ų6215.3 Ų15.338%0.388%0.079SC..THydrogen-bonded Turntrans-73.8-24.7-176.346.20000113.6R24 Q120 L124R24-T122 VanDerWaalsContact CD-OG1 3.25Å; R24-T122 WeakPolarHBondContact CD-OG1 3.49Å; R24-T122 PolarHBondContact NH1-OG1 2.98Å; Q120-T122 HydrophobicContact CB-CG2 3.96Å; Q120-T122 PolarHBondContact O-N 2.97Å; T122-L124 PolarHBondContact O-N 3.31Å
123D94.7Very high97.4Very high38 Ų3815.3 Ų15.320%0.2038%0.079CC..THydrogen-bonded Turntrans-84.64.8170.4-59.2-54.5000112.6R24 V125 K128R24-D123 VanDerWaalsContact CB-OD2 3.31Å; R24-D123 WeakPolarHBondContact CB-OD2 3.44Å; R24-D123 WeakPolarHBondContact CD-OD2 3.25Å; R24-D123 IonicContact CZ-OD2 2.98Å; R24-D123 IonicContact NE-OD2 3.88Å; R24-D123 IonicContact NH1-OD1 3.77Å; R24-D123 PolarHBondContact NH1-OD1 2.89Å; R24-D123 IonicContact NH1-OD2 2.73Å; R24-D123 PolarHBondContact NH1-OD2 3.43Å; D123-V125 VanDerWaalsContact C-N 3.26Å; D123-V125 HydrophobicContact CB-CG2 3.94Å; D123-V125 PolarHBondContact O-N 2.9Å; D123-K128 PolarHBondContact O-NZ 3.01Å
124L97.3Very high97.3Very high22 Ų2215.4 Ų15.412%0.1158%0.079CC..  trans56.733.3179.3-49.7176.6000113.7N106 D121 T122 R127 K128 P181 F190N106-L124 WeakPolarHBondContact ND2-CD2 3.24Å; D121-L124 PolarHBondContact O-N 3.01Å; D121-L124 VanDerWaalsContact O-N 3.16Å; D121-L124 WeakPolarHBondContact OD2-CA 3.31Å; T122-L124 PolarHBondContact O-N 3.31Å; L124-R127 HydrophobicContact CB-CB 4.23Å; L124-K128 HydrophobicContact CB-CD 4.42Å; L124-K128 VanDerWaalsContact O-CB 3.24Å; L124-K128 WeakPolarHBondContact O-CB 3.25Å; L124-K128 WeakPolarHBondContact O-CD 3.4Å; L124-K128 WeakPolarHBondContact O-CG 3.29Å; L124-K128 PolarHBondContact O-N 3.1Å; L124-P181 HydrophobicContact CD1-CB 4.3Å; L124-F190 HydrophobicContact CD1-CE1 3.8Å; L124-F190 HydrophobicContact CD1-CZ 3.58Å; L124-F190 HydrophobicContact CD2-CE1 4.33Å; L124-F190 HydrophobicContact CD2-CE2 3.74Å; L124-F190 HydrophobicContact CD2-CZ 3.62Å; L124-F190 HydrophobicContact CG-CZ 4.18Å
125V97.9Very high97.1Very high19 Ų1920.5 Ų20.512%0.11510%0.101CC..Hα-helixtrans-68.2-46.4-177-172.50000110.1V27 P28 V31 D121 D123 A129V27-V125 HydrophobicContact CB-CG1 4.29Å; V27-V125 HydrophobicContact CG1-CB 4.35Å; V27-V125 HydrophobicContact CG1-CG1 3.88Å; P28-V125 HydrophobicContact CB-CG1 4.4Å; P28-V125 HydrophobicContact CG-CG1 3.99Å; P28-V125 HydrophobicContact CG-CG2 3.86Å; V31-V125 HydrophobicContact CG2-CG1 3.97Å; D121-V125 WeakPolarHBondContact OD1-CA 3.27Å; D121-V125 PolarHBondContact OD1-N 2.86Å; D123-V125 VanDerWaalsContact C-N 3.26Å; D123-V125 HydrophobicContact CB-CG2 3.94Å; D123-V125 PolarHBondContact O-N 2.9Å; V125-A129 WeakPolarHBondContact O-CB 3.38Å; V125-A129 PolarHBondContact O-N 2.97Å
126L98.4Very high96.7Very high3 Ų325.6 Ų25.62%0.01613%0.125CC..Hα-helixtrans-69.3-39.7175.3-61.7-178.5000110.8L44 L109 D121 K128 A129 L130 L205L44-L126 HydrophobicContact CD1-CD2 4.49Å; L109-L126 HydrophobicContact CB-CB 4.09Å; L109-L126 HydrophobicContact CB-CD1 4.47Å; L109-L126 HydrophobicContact CD1-CB 4.13Å; D121-L126 HydrophobicContact CB-CB 4.49Å; D121-L126 PolarHBondContact OD1-N 2.99Å; D121-L126 PolarHBondContact OD2-N 3.32Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.33Å; L126-A129 PolarHBondContact O-N 2.83Å; L126-L130 WeakPolarHBondContact O-CB 3.1Å; L126-L130 PolarHBondContact O-N 2.93Å; L126-L205 HydrophobicContact CD2-CD2 4.37Å
127R98.3Very high96.4Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-63.4-39.5177-159127.4176.1-70-11.1112.4N106 L109 D121 L124 L130 H131 M178 A179 S180N106-R127 WeakPolarHBondContact OD1-CD 3.28Å; L109-R127 HydrophobicContact CD1-CB 3.61Å; L109-R127 HydrophobicContact CD1-CG 4.03Å; L109-R127 VanDerWaalsContact CD1-N 3.32Å; D121-R127 PolarHBondContact OD2-N 3.16Å; D121-R127 VanDerWaalsContact OD2-N 3.07Å; L124-R127 HydrophobicContact CB-CB 4.23Å; R127-L130 PolarHBondContact O-N 2.93Å; R127-H131 WeakPolarHBondContact O-CB 3.47Å; R127-H131 PolarHBondContact O-N 2.72Å; R127-M178 PolarHBondContact NH2-O 3.46Å; R127-A179 WeakPolarHBondContact CG-O 3.08Å; R127-S180 PolarHBondContact NH1-O 3.46Å; R127-S180 PolarHBondContact NH2-O 3.41Å
128K97.7Very high96Very high105 Ų10533.2 Ų33.246%0.45717%0.167SC..Hα-helixtrans-68.1-35.4173.4-71.2160.5-168.4156.40112.4D123 L124 L126 G132 P181D123-K128 PolarHBondContact O-NZ 3.01Å; L124-K128 HydrophobicContact CB-CD 4.42Å; L124-K128 VanDerWaalsContact O-CB 3.24Å; L124-K128 WeakPolarHBondContact O-CB 3.25Å; L124-K128 WeakPolarHBondContact O-CD 3.4Å; L124-K128 WeakPolarHBondContact O-CG 3.29Å; L124-K128 PolarHBondContact O-N 3.1Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.33Å; K128-G132 WeakPolarHBondContact O-CA 3.5Å; K128-G132 PolarHBondContact O-N 2.89Å; K128-P181 HydrophobicContact CG-CB 3.98Å; K128-P181 HydrophobicContact CG-CG 4.07Å
129A97.7Very high95.9Very high3 Ų334.4 Ų34.43%0.02517%0.174CC..Hα-helixtrans-65.8-46.5173.700000111.4V125 L126 G132 V133 I204V125-A129 WeakPolarHBondContact O-CB 3.38Å; V125-A129 PolarHBondContact O-N 2.97Å; L126-A129 PolarHBondContact O-N 2.83Å; A129-G132 CarbonylContact O-C 3.57Å; A129-G132 WeakPolarHBondContact O-CA 3.24Å; A129-G132 PolarHBondContact O-N 3Å; A129-V133 PolarHBondContact O-N 3.46Å; A129-I204 HydrophobicContact CB-CG2 4.42Å
130L98.3Very high95.7Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-59.4-54.9177.3177.564.4000112.4L109 L126 R127 G132 V133 L134 A179 L193 H197 I200 I204L109-L130 HydrophobicContact CD1-CD2 4.12Å; L109-L130 HydrophobicContact CD2-CD2 4.41Å; L126-L130 WeakPolarHBondContact O-CB 3.1Å; L126-L130 PolarHBondContact O-N 2.93Å; R127-L130 PolarHBondContact O-N 2.93Å; L130-G132 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 3.27Å; L130-L134 HydrophobicContact CD1-CD1 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.4Å; L130-L134 PolarHBondContact O-N 3.18Å; L130-L134 VanDerWaalsContact O-N 3.12Å; L130-A179 HydrophobicContact CD2-CB 4.41Å; L130-A179 HydrophobicContact CG-CB 4.25Å; L130-L193 HydrophobicContact CD2-CD1 3.76Å; L130-H197 HydrophobicContact CD2-CB 4.2Å; L130-I200 HydrophobicContact CD1-CB 3.77Å; L130-I200 HydrophobicContact CD1-CG2 3.56Å; L130-I204 HydrophobicContact CB-CD1 4.17Å; L130-I204 HydrophobicContact CD1-CD1 4.18Å
131H97.7Very high95.6Very high41 Ų4140.4 Ų40.419%0.1922%0.217CC..Hα-helixtrans-61.9-34.3174.2-178.3-101.1000112.1R127 L134 K135 V176 A179 S180R127-H131 WeakPolarHBondContact O-CB 3.47Å; R127-H131 PolarHBondContact O-N 2.72Å; H131-L134 CarbonylContact O-C 3.55Å; H131-L134 PolarHBondContact O-N 2.93Å; H131-K135 PolarHBondContact O-N 2.85Å; H131-V176 PolarHBondContact CD2-O 2.92Å; H131-A179 HydrophobicContact CB-CB 4.13Å; H131-S180 VanDerWaalsContact CD2-CA 3.45Å; H131-S180 WeakPolarHBondContact CD2-CA 3.39Å
132G96.2Very high95.5Very high0 Ų040.3 Ų40.30%022%0.216CC..Hα-helixtrans-62.1-42.6174.900000112.6H42 K128 A129 L130 L134 E136H42-G132 VanDerWaalsContact CE1-C 3.47Å; H42-G132 PolarHBondContact CE1-O 3.32Å; K128-G132 WeakPolarHBondContact O-CA 3.5Å; K128-G132 PolarHBondContact O-N 2.89Å; A129-G132 CarbonylContact O-C 3.57Å; A129-G132 WeakPolarHBondContact O-CA 3.24Å; A129-G132 PolarHBondContact O-N 3Å; L130-G132 PolarHBondContact O-N 2.93Å; G132-L134 VanDerWaalsContact C-N 3.33Å; G132-E136 WeakPolarHBondContact CA-OE1 3.37Å; G132-E136 WeakPolarHBondContact O-CA 3.46Å; G132-E136 WeakPolarHBondContact O-CB 3.14Å; G132-E136 WeakPolarHBondContact O-CG 2.93Å; G132-E136 PolarHBondContact O-N 3.39Å
133V96.1Very high95.5Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-60.4-47171.2173.20000109.9M41 H42 A129 L130 K135 T137 F142 I200 I204M41-V133 HydrophobicContact CB-CG2 4.39Å; M41-V133 HydrophobicContact CE-CG1 4.12Å; M41-V133 HydrophobicContact CE-CG2 3.96Å; H42-V133 HydrophobicContact CB-CG2 3.78Å; H42-V133 PolarHBondContact ND1-N 2.96Å; A129-V133 PolarHBondContact O-N 3.46Å; L130-V133 PolarHBondContact O-N 3.27Å; V133-K135 VanDerWaalsContact C-N 3.31Å; V133-K135 PolarHBondContact O-N 3.01Å; V133-T137 WeakPolarHBondContact CA-OG1 3.03Å; V133-T137 PolarHBondContact O-N 2.77Å; V133-T137 PolarHBondContact O-OG1 3.26Å; V133-F142 HydrophobicContact CG1-CE2 3.93Å; V133-I200 HydrophobicContact CB-CG2 4.28Å; V133-I200 HydrophobicContact CG1-CG2 3.94Å; V133-I204 HydrophobicContact CG2-CD1 3.89Å; V133-I204 HydrophobicContact CG2-CG1 3.91Å
134L95.8Very high95.5Very high6 Ų638.2 Ų38.23%0.03121%0.207CC..Hα-helixtrans-70.2-15.8-175.4-77.9165.6000115.8L130 H131 G132 T139 W172 V176 A179 I200L130-L134 HydrophobicContact CD1-CD1 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.4Å; L130-L134 PolarHBondContact O-N 3.18Å; L130-L134 VanDerWaalsContact O-N 3.12Å; H131-L134 CarbonylContact O-C 3.55Å; H131-L134 PolarHBondContact O-N 2.93Å; G132-L134 VanDerWaalsContact C-N 3.33Å; L134-T139 HydrophobicContact CD2-CG2 4.18Å; L134-W172 HydrophobicContact CD2-CH2 4.02Å; L134-W172 HydrophobicContact CD2-CZ2 3.56Å; L134-V176 HydrophobicContact CB-CB 4.46Å; L134-V176 HydrophobicContact CB-CG1 4.04Å; L134-V176 HydrophobicContact CB-CG2 4.13Å; L134-V176 HydrophobicContact CD2-CG2 3.9Å; L134-V176 WeakPolarHBondContact O-CG1 3.36Å; L134-A179 HydrophobicContact CD1-CB 3.6Å; L134-I200 HydrophobicContact CD1-CD1 3.98Å; L134-I200 HydrophobicContact CD2-CD1 3.67Å; L134-I200 HydrophobicContact CG-CD1 4Å
135K94.1Very high95.5Very high113 Ų11337.8 Ų37.849%0.49120%0.204SC..Hα-helixtrans-122.6-19.7177.2-79-58.7-168-146.90115.8H131 V133 D173 V176H131-K135 PolarHBondContact O-N 2.85Å; V133-K135 VanDerWaalsContact C-N 3.31Å; V133-K135 PolarHBondContact O-N 3.01Å; K135-D173 IonicContact NZ-OD1 3.44Å; K135-D173 PolarHBondContact NZ-OD1 3.09Å; K135-V176 HydrophobicContact CD-CG1 3.48Å; K135-V176 VanDerWaalsContact CD-CG1 3.48Å; K135-V176 HydrophobicContact CG-CG1 3.62Å; K135-V176 VanDerWaalsContact NZ-CG1 3.3Å
136E91.1Very high95.3Very high109 Ų10937.3 Ų37.351%0.50920%0.2SC..Hα-helixtrans-113.4-3.9-172.9-47.8170.5-148.500113.4K33 H42 G132K33-E136 IonicContact NZ-OE1 2.7Å; K33-E136 PolarHBondContact NZ-OE1 2.81Å; K33-E136 IonicContact NZ-OE2 2.69Å; K33-E136 PolarHBondContact NZ-OE2 3.29Å; H42-E136 IonicContact CE1-OE2 2.8Å; H42-E136 PolarHBondContact CE1-OE2 2.97Å; H42-E136 IonicContact NE2-OE2 2.71Å; G132-E136 WeakPolarHBondContact CA-OE1 3.37Å; G132-E136 WeakPolarHBondContact O-CA 3.46Å; G132-E136 WeakPolarHBondContact O-CB 3.14Å; G132-E136 WeakPolarHBondContact O-CG 2.93Å; G132-E136 PolarHBondContact O-N 3.39Å
137T90.8Very high95Very high39 Ų3939.7 Ų39.724%0.23921%0.211CC..SBendtrans-131.9165.8-178.371.10000112.1V133 T139V133-T137 WeakPolarHBondContact CA-OG1 3.03Å; V133-T137 PolarHBondContact O-N 2.77Å; V133-T137 PolarHBondContact O-OG1 3.26Å; T137-T139 PolarHBondContact O-N 3.21Å
138D90.6Very high94.6Very high128 Ų12840.6 Ų40.668%0.68422%0.218SC*.  trans-64.7128.4173.2-178.715.2000110.5A140D138-A140 VanDerWaalsContact OD1-CB 3.31Å; D138-A140 WeakPolarHBondContact OD1-CB 3.48Å; D138-A140 PolarHBondContact OD1-N 3.25Å
139T93.8Very high94.3Very high25 Ų2536.3 Ų36.315%0.15320%0.2CC..  trans-112.92.4-178.8520000113.5L134 T137 V141 F142 K143 W172L134-T139 HydrophobicContact CD2-CG2 4.18Å; T137-T139 PolarHBondContact O-N 3.21Å; T139-V141 VanDerWaalsContact C-N 3.26Å; T139-V141 PolarHBondContact O-N 2.76Å; T139-V141 VanDerWaalsContact O-N 3.16Å; T139-F142 PolarHBondContact O-N 3.44Å; T139-K143 PolarHBondContact O-N 2.88Å; T139-W172 HydrophobicContact CG2-CZ2 4.28Å; T139-W172 PolarHBondContact OG1-NE1 3.3Å
140A93.4Very high93.8Very high57 Ų5738.2 Ų38.247%0.47121%0.21SC..Hα-helixtrans-54.2-39.7-175.200000113.3D138 K143 A144D138-A140 VanDerWaalsContact OD1-CB 3.31Å; D138-A140 WeakPolarHBondContact OD1-CB 3.48Å; D138-A140 PolarHBondContact OD1-N 3.25Å; A140-K143 PolarHBondContact O-N 3.38Å; A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.23Å; A140-A144 PolarHBondContact O-N 2.8Å
141V94.3Very high93.1Very high72 Ų7242.4 Ų42.444%0.43623%0.232SC..Hα-helixtrans-70.7-40.1178-175.70000112.1T139 R145 H239T139-V141 VanDerWaalsContact C-N 3.26Å; T139-V141 PolarHBondContact O-N 2.76Å; T139-V141 VanDerWaalsContact O-N 3.16Å; V141-R145 WeakPolarHBondContact O-CB 3.19Å; V141-R145 VanDerWaalsContact O-CG 3.3Å; V141-R145 WeakPolarHBondContact O-CG 3.43Å; V141-R145 PolarHBondContact O-N 3.07Å; V141-R145 VanDerWaalsContact O-N 3.1Å; V141-H239 WeakPolarHBondContact CB-NE2 3.33Å; V141-H239 VanDerWaalsContact CG1-NE2 3.26Å; V141-H239 WeakPolarHBondContact CG1-NE2 3.46Å
142F96.2Very high92.1Very high4 Ų445.4 Ų45.42%0.01825%0.246CC..Hα-helixtrans-64-42.8173.8-70.9-68000111.4M41 V133 T139 R145 F146 W172 F199 I200 N203 H239M41-F142 HydrophobicContact CE-CE2 4.4Å; M41-F142 HydrophobicContact CE-CZ 3.91Å; M41-F142 HydrophobicContact SD-CZ 4.04Å; V133-F142 HydrophobicContact CG1-CE2 3.93Å; T139-F142 PolarHBondContact O-N 3.44Å; F142-R145 PolarHBondContact O-N 3.27Å; F142-F146 WeakPolarHBondContact O-CB 3.44Å; F142-F146 PolarHBondContact O-N 3.34Å; F142-W172 HydrophobicContact CB-CH2 3.84Å; F142-W172 HydrophobicContact CB-CZ2 4.14Å; F142-F199 AromaticContact CD1-CD1 3.74Å; F142-F199 HydrophobicContact CD1-CD1 3.74Å; F142-F199 AromaticContact CD1-CE1 3.68Å; F142-F199 HydrophobicContact CD1-CE1 3.68Å; F142-F199 AromaticContact CE1-CD1 3.88Å; F142-F199 HydrophobicContact CE1-CD1 3.88Å; F142-F199 AromaticContact CE1-CE1 3.77Å; F142-F199 HydrophobicContact CE1-CE1 3.77Å; F142-I200 HydrophobicContact CD1-CB 4.48Å; F142-I200 HydrophobicContact CD1-CD1 4.47Å; F142-I200 HydrophobicContact CD1-CG1 3.45Å; F142-I200 VanDerWaalsContact CD1-CG1 3.45Å; F142-I200 HydrophobicContact CD2-CG1 4.48Å; F142-I200 HydrophobicContact CE1-CB 4.15Å; F142-I200 HydrophobicContact CE1-CG1 3.6Å; F142-I200 HydrophobicContact CE1-CG2 4.38Å; F142-I200 HydrophobicContact CG-CG1 3.94Å; F142-I200 HydrophobicContact CZ-CG1 4.2Å; F142-I200 HydrophobicContact CZ-CG2 4.25Å; F142-N203 HydrophobicContact CE1-CB 4.37Å; F142-N203 HydrophobicContact CZ-CB 4.22Å; F142-H239 AromaticContact CD1-CE1 3.49Å; F142-H239 VanDerWaalsContact CD1-CE1 3.49Å; F142-H239 WeakPolarHBondContact CD1-CE1 3.47Å; F142-H239 AromaticContact CE1-CE1 3.16Å; F142-H239 WeakPolarHBondContact CE1-CE1 3.47Å; F142-H239 AromaticContact CE1-ND1 3.5Å; F142-H239 AromaticContact CE1-NE2 3.93Å; F142-H239 AromaticContact CE2-CE1 3.97Å; F142-H239 AromaticContact CE2-NE2 3.93Å; F142-H239 AromaticContact CZ-CE1 3.43Å; F142-H239 VanDerWaalsContact CZ-CE1 3.43Å; F142-H239 WeakPolarHBondContact CZ-CE1 3.37Å; F142-H239 AromaticContact CZ-ND1 3.59Å; F142-H239 AromaticContact CZ-NE2 3.83Å
143K95.5Very high91Very high19 Ų1946.7 Ų46.78%0.08326%0.255CS..Hα-helixtrans-64.9-45.2178.1-173.4174.7-175.5170.90112.4T139 A140 R145 F146 Q147 W168 E169 W172T139-K143 PolarHBondContact O-N 2.88Å; A140-K143 PolarHBondContact O-N 3.38Å; K143-R145 VanDerWaalsContact C-N 3.3Å; K143-R145 PolarHBondContact O-N 2.97Å; K143-F146 WeakPolarHBondContact O-CB 3.32Å; K143-F146 PolarHBondContact O-N 3.37Å; K143-Q147 WeakPolarHBondContact O-CG 3.27Å; K143-Q147 PolarHBondContact O-N 3.26Å; K143-W168 WeakPolarHBondContact CE-O 3.27Å; K143-W168 PolarHBondContact NZ-O 2.66Å; K143-E169 IonicContact NZ-OE1 2.62Å; K143-E169 PolarHBondContact NZ-OE1 2.83Å; K143-E169 IonicContact NZ-OE2 2.69Å; K143-E169 PolarHBondContact NZ-OE2 3.43Å; K143-W172 HydrophobicContact CB-CD2 3.97Å; K143-W172 HydrophobicContact CB-CE3 4.17Å; K143-W172 HydrophobicContact CB-CH2 4.44Å; K143-W172 HydrophobicContact CB-CZ2 4.24Å; K143-W172 HydrophobicContact CB-CZ3 4.39Å; K143-W172 HydrophobicContact CD-CB 4.12Å; K143-W172 HydrophobicContact CD-CD2 4.11Å; K143-W172 HydrophobicContact CD-CG 3.78Å; K143-W172 HydrophobicContact CG-CD2 3.88Å; K143-W172 HydrophobicContact CG-CE3 4.06Å; K143-W172 HydrophobicContact CG-CG 4.06Å
144A95Very high89.3Confident37 Ų3753.3 Ų53.331%0.30629%0.286SS..Hα-helixtrans-62-38.3176.800000112.2A140 A148A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.23Å; A140-A144 PolarHBondContact O-N 2.8Å; A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 2.84Å
145R95.8Very high87.8Confident13 Ų1357.2 Ų57.25%0.04930%0.304CS..Hα-helixtrans-66.2-44.2173.4-75.6176.2-174.8-73.8-3.7112.4V141 F142 K143 A148 E149 F199 F292 M294 E297V141-R145 WeakPolarHBondContact O-CB 3.19Å; V141-R145 VanDerWaalsContact O-CG 3.3Å; V141-R145 WeakPolarHBondContact O-CG 3.43Å; V141-R145 PolarHBondContact O-N 3.07Å; V141-R145 VanDerWaalsContact O-N 3.1Å; F142-R145 PolarHBondContact O-N 3.27Å; K143-R145 VanDerWaalsContact C-N 3.3Å; K143-R145 PolarHBondContact O-N 2.97Å; R145-A148 PolarHBondContact O-N 3.37Å; R145-E149 PolarHBondContact O-N 2.77Å; R145-F199 VanDerWaalsContact CD-CE1 3.48Å; R145-F292 HydrophobicContact CB-CB 4.1Å; R145-F292 HydrophobicContact CB-CD1 4.38Å; R145-F292 PolarHBondContact NH1-O 3.12Å; R145-M294 HydrophobicContact CB-SD 4.28Å; R145-M294 HydrophobicContact CG-CG 4.1Å; R145-M294 HydrophobicContact CG-SD 3.56Å; R145-M294 VanDerWaalsContact CG-SD 3.56Å; R145-E297 IonicContact CZ-OE1 3.23Å; R145-E297 IonicContact CZ-OE2 3.9Å; R145-E297 IonicContact NH1-OE1 2.84Å; R145-E297 IonicContact NH1-OE2 3.29Å; R145-E297 PolarHBondContact NH1-OE2 3.49Å; R145-E297 IonicContact NH2-OE1 2.74Å; R145-E297 PolarHBondContact NH2-OE1 3.36Å; R145-E297 IonicContact NH2-OE2 2.78Å; R145-E297 PolarHBondContact NH2-OE2 2.86Å
146F94.1Very high86.4Confident10 Ų1053.2 Ų53.24%0.04429%0.286CS..Hα-helixtrans-58.7-46.9174.6172.8-106.7000112F142 K143 A148 E149 L150 W168 W172 I175 I196F142-F146 WeakPolarHBondContact O-CB 3.44Å; F142-F146 PolarHBondContact O-N 3.34Å; K143-F146 WeakPolarHBondContact O-CB 3.32Å; K143-F146 PolarHBondContact O-N 3.37Å; F146-A148 PolarHBondContact O-N 2.67Å; F146-E149 PolarHBondContact O-N 2.85Å; F146-L150 HydrophobicContact CD2-CD1 3.92Å; F146-L150 HydrophobicContact CE1-CD2 4.04Å; F146-L150 HydrophobicContact CE2-CD1 3.61Å; F146-L150 HydrophobicContact CE2-CD2 4.13Å; F146-L150 HydrophobicContact CZ-CD1 4.04Å; F146-L150 HydrophobicContact CZ-CD2 3.67Å; F146-L150 PolarHBondContact O-N 3.15Å; F146-W168 HydrophobicContact CE1-CZ3 4.31Å; F146-W172 HydrophobicContact CB-CE3 4.45Å; F146-W172 HydrophobicContact CB-CZ3 3.87Å; F146-W172 AromaticContact CD1-CE3 3.91Å; F146-W172 HydrophobicContact CD1-CE3 3.91Å; F146-W172 HydrophobicContact CD1-CZ3 4.11Å; F146-W172 HydrophobicContact CE1-CE3 4.43Å; F146-W172 HydrophobicContact CG-CE3 4.27Å; F146-W172 AromaticContact CG-CZ3 3.99Å; F146-W172 HydrophobicContact CG-CZ3 3.99Å; F146-I175 HydrophobicContact CE1-CG1 4.47Å; F146-I175 HydrophobicContact CE2-CD1 4.17Å; F146-I175 HydrophobicContact CE2-CG1 4.26Å; F146-I175 HydrophobicContact CZ-CD1 4.21Å; F146-I175 HydrophobicContact CZ-CG1 4Å; F146-I196 HydrophobicContact CB-CD1 4.02Å; F146-I196 HydrophobicContact CB-CG1 4.18Å; F146-I196 HydrophobicContact CD2-CB 3.96Å; F146-I196 HydrophobicContact CD2-CG1 4.09Å; F146-I196 HydrophobicContact CD2-CG2 4.08Å; F146-I196 HydrophobicContact CE2-CG2 4.25Å; F146-I196 HydrophobicContact CG-CG1 4.46Å
147Q91.6Very high85.1Confident52 Ų5252.6 Ų52.624%0.24329%0.29CS..Hα-helixtrans-58.2-46.9173.9-72.7173.1-46.900111.9K143 E149 L150 L151 W168K143-Q147 WeakPolarHBondContact O-CG 3.27Å; K143-Q147 PolarHBondContact O-N 3.26Å; Q147-E149 PolarHBondContact O-N 2.86Å; Q147-L150 PolarHBondContact O-N 3.11Å; Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 WeakPolarHBondContact O-CD1 3.47Å; Q147-L151 WeakPolarHBondContact O-CG 3.24Å; Q147-L151 PolarHBondContact O-N 3.05Å; Q147-W168 HydrophobicContact CB-CH2 4.49Å; Q147-W168 HydrophobicContact CB-CZ3 4.47Å; Q147-W168 HydrophobicContact CG-CD2 3.78Å; Q147-W168 HydrophobicContact CG-CE3 3.65Å; Q147-W168 HydrophobicContact CG-CG 4.31Å; Q147-W168 HydrophobicContact CG-CH2 4.33Å; Q147-W168 HydrophobicContact CG-CZ2 4.45Å; Q147-W168 HydrophobicContact CG-CZ3 3.94Å
148A91Very high83.9Confident19 Ų1957.9 Ų57.916%0.15731%0.312CS..Hα-helixtrans-61.5-41.6179.700000112.7A144 R145 F146 Q152 M294A144-A148 WeakPolarHBondContact O-CB 3.49Å; A144-A148 PolarHBondContact O-N 2.84Å; R145-A148 PolarHBondContact O-N 3.37Å; F146-A148 PolarHBondContact O-N 2.67Å; A148-Q152 WeakPolarHBondContact O-CB 3.13Å; A148-Q152 VanDerWaalsContact O-CG 3.24Å; A148-Q152 WeakPolarHBondContact O-CG 3.47Å; A148-Q152 PolarHBondContact O-N 2.76Å; A148-Q152 VanDerWaalsContact O-N 3.11Å; A148-Q152 PolarHBondContact O-NE2 2.93Å; A148-M294 HydrophobicContact CB-CE 4.38Å; A148-M294 HydrophobicContact CB-SD 4.1Å
149E91.3Very high82.9Confident16 Ų1656 Ų568%0.07531%0.305CS..Hα-helixtrans-71.2-40.2178.3-178142.7133.300112.6R145 F146 Q147 Q152 S153 K289 H291 F292R145-E149 PolarHBondContact O-N 2.77Å; F146-E149 PolarHBondContact O-N 2.85Å; Q147-E149 PolarHBondContact O-N 2.86Å; E149-Q152 PolarHBondContact O-N 3.43Å; E149-S153 PolarHBondContact O-N 2.78Å; E149-K289 VanDerWaalsContact CD-CE 3.4Å; E149-K289 WeakPolarHBondContact OE1-CE 3.3Å; E149-K289 IonicContact OE1-NZ 3.94Å; E149-K289 PolarHBondContact OE1-NZ 3.2Å; E149-K289 VanDerWaalsContact OE2-CE 3.31Å; E149-K289 WeakPolarHBondContact OE2-CE 3.47Å; E149-K289 IonicContact OE2-NZ 2.76Å; E149-H291 IonicContact OE1-CE1 3.92Å; E149-H291 IonicContact OE1-CG 2.84Å; E149-H291 IonicContact OE1-ND1 2.66Å; E149-H291 PolarHBondContact OE1-ND1 2.78Å; E149-H291 WeakPolarHBondContact OE2-CA 3.49Å; E149-F292 HydrophobicContact CB-CD1 3.66Å; E149-F292 HydrophobicContact CB-CE1 3.68Å; E149-F292 HydrophobicContact CG-CD1 4.23Å; E149-F292 HydrophobicContact CG-CE1 3.99Å; E149-F292 PolarHBondContact OE2-N 3.44Å
150L86.1Confident81.8Confident43 Ų4357.5 Ų57.523%0.22533%0.326CS..Hα-helixtrans-64.6-41.2174.3-99.965.1000112.1F146 Q147 Q152 S153 F156 W168F146-L150 HydrophobicContact CD2-CD1 3.92Å; F146-L150 HydrophobicContact CE1-CD2 4.04Å; F146-L150 HydrophobicContact CE2-CD1 3.61Å; F146-L150 HydrophobicContact CE2-CD2 4.13Å; F146-L150 HydrophobicContact CZ-CD1 4.04Å; F146-L150 HydrophobicContact CZ-CD2 3.67Å; F146-L150 PolarHBondContact O-N 3.15Å; Q147-L150 PolarHBondContact O-N 3.11Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.84Å; L150-S153 VanDerWaalsContact O-CB 3.25Å; L150-S153 WeakPolarHBondContact O-CB 3.34Å; L150-S153 PolarHBondContact O-N 2.85Å; L150-S153 PolarHBondContact O-OG 3.4Å; L150-F156 VanDerWaalsContact O-CB 3.29Å; L150-F156 WeakPolarHBondContact O-CB 3.33Å; L150-W168 HydrophobicContact CB-CH2 3.97Å; L150-W168 HydrophobicContact CB-CZ3 4.28Å; L150-W168 HydrophobicContact CD2-CH2 4.27Å; L150-W168 HydrophobicContact CD2-CZ3 3.9Å
151L83.5Confident80.7Confident88 Ų8859 Ų5946%0.46133%0.325SS..Hα-helixtrans-65.3-29.6175.9-72.5169.9000112.9Q147 S153 F156 W168Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 WeakPolarHBondContact O-CD1 3.47Å; Q147-L151 WeakPolarHBondContact O-CG 3.24Å; Q147-L151 PolarHBondContact O-N 3.05Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-F156 HydrophobicContact CD2-CD1 4.06Å; L151-F156 HydrophobicContact CD2-CE1 3.55Å; L151-F156 HydrophobicContact CD2-CZ 3.96Å; L151-W168 HydrophobicContact CD2-CZ2 4.16Å; L151-W168 HydrophobicContact CG-CH2 4.49Å; L151-W168 HydrophobicContact CG-CZ2 4.17Å
152Q76.9Confident79.6Confident103 Ų10366.6 Ų66.648%0.48135%0.346SS..THydrogen-bonded Turntrans-80.8-6.5173.3-71.7168.640.300113.2A148 E149 L150A148-Q152 WeakPolarHBondContact O-CB 3.13Å; A148-Q152 VanDerWaalsContact O-CG 3.24Å; A148-Q152 WeakPolarHBondContact O-CG 3.47Å; A148-Q152 PolarHBondContact O-N 2.76Å; A148-Q152 VanDerWaalsContact O-N 3.11Å; A148-Q152 PolarHBondContact O-NE2 2.93Å; E149-Q152 PolarHBondContact O-N 3.43Å; L150-Q152 VanDerWaalsContact C-N 3.28Å; L150-Q152 PolarHBondContact O-N 2.84Å
153S72.9Confident78.7Confident27 Ų2770 Ų7019%0.18936%0.36CS..SBendtrans-72.7143.2179.578.70000112.2E149 L150 L151 E155 F156 T157E149-S153 PolarHBondContact O-N 2.78Å; L150-S153 VanDerWaalsContact O-CB 3.25Å; L150-S153 WeakPolarHBondContact O-CB 3.34Å; L150-S153 PolarHBondContact O-N 2.85Å; L150-S153 PolarHBondContact O-OG 3.4Å; L151-S153 VanDerWaalsContact C-N 3.29Å; S153-E155 VanDerWaalsContact C-N 3.3Å; S153-E155 PolarHBondContact O-N 3.28Å; S153-F156 VanDerWaalsContact OG-CB 3.22Å; S153-F156 WeakPolarHBondContact OG-CB 3.3Å; S153-F156 PolarHBondContact OG-N 3.22Å; S153-T157 WeakPolarHBondContact O-CB 3.24Å; S153-T157 PolarHBondContact O-N 3.25Å; S153-T157 VanDerWaalsContact O-N 3.16Å; S153-T157 PolarHBondContact O-OG1 3.39Å
154Q60.6Low77.9Confident140 Ų14073 Ų7365%0.65438%0.379SS*.Hα-helixtrans-65.1-35.8177.4-66-1729.100111.8T157 Q158Q154-T157 PolarHBondContact O-N 2.79Å; Q154-Q158 VanDerWaalsContact O-CB 3.27Å; Q154-Q158 WeakPolarHBondContact O-CB 3.13Å; Q154-Q158 WeakPolarHBondContact O-CG 3.27Å; Q154-Q158 PolarHBondContact O-N 2.69Å
155E64.8Low77.3Confident88 Ų8876.5 Ų76.541%0.41140%0.397SS..Hα-helixtrans-66.4-44.2-178.8-61.3-179.4152.200111.7S153 T159 P228S153-E155 VanDerWaalsContact C-N 3.3Å; S153-E155 PolarHBondContact O-N 3.28Å; E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 VanDerWaalsContact O-CG2 3.26Å; E155-T159 WeakPolarHBondContact O-CG2 3.4Å; E155-T159 PolarHBondContact O-N 3.08Å; E155-T159 PolarHBondContact O-OG1 3.46Å; E155-P228 HydrophobicContact CG-CG 4.43Å; E155-P228 WeakPolarHBondContact OE1-CD 3.31Å
156F64.1Low76.7Confident28 Ų2882.5 Ų82.512%0.12343%0.427CS..Hα-helixtrans-64.1-41.9174.6-164.4-79.3000111.6L150 L151 S153 T159 L161 Y163 W168L150-F156 VanDerWaalsContact O-CB 3.29Å; L150-F156 WeakPolarHBondContact O-CB 3.33Å; L151-F156 HydrophobicContact CD2-CD1 4.06Å; L151-F156 HydrophobicContact CD2-CE1 3.55Å; L151-F156 HydrophobicContact CD2-CZ 3.96Å; S153-F156 VanDerWaalsContact OG-CB 3.22Å; S153-F156 WeakPolarHBondContact OG-CB 3.3Å; S153-F156 PolarHBondContact OG-N 3.22Å; F156-T159 PolarHBondContact O-OG1 2.91Å; F156-L161 WeakPolarHBondContact CE1-O 3.26Å; F156-L161 HydrophobicContact CE2-CB 4.38Å; F156-L161 HydrophobicContact CZ-CB 4.36Å; F156-L161 WeakPolarHBondContact CZ-O 3.17Å; F156-Y163 AromaticContact CE2-CD1 3.67Å; F156-Y163 HydrophobicContact CE2-CD1 3.67Å; F156-Y163 HydrophobicContact CE2-CD2 4.26Å; F156-Y163 AromaticContact CE2-CE1 3.77Å; F156-Y163 HydrophobicContact CE2-CE1 3.77Å; F156-Y163 HydrophobicContact CE2-CE2 4.33Å; F156-Y163 AromaticContact CE2-CG 3.94Å; F156-Y163 HydrophobicContact CE2-CG 3.94Å; F156-Y163 AromaticContact CZ-CD1 3.95Å; F156-Y163 HydrophobicContact CZ-CD1 3.95Å; F156-Y163 HydrophobicContact CZ-CE1 4.46Å; F156-Y163 HydrophobicContact CZ-CG 4.15Å; F156-W168 HydrophobicContact CE2-CH2 4.28Å; F156-W168 HydrophobicContact CE2-CZ2 4.32Å; F156-W168 HydrophobicContact CZ-CZ2 4.3Å
157T64.9Low76.3Confident97 Ų9784.6 Ų84.660%0.59544%0.439SS*.Hα-helixtrans-65.8-44.4179.3-550000112.2S153 Q154 G160S153-T157 WeakPolarHBondContact O-CB 3.24Å; S153-T157 PolarHBondContact O-N 3.25Å; S153-T157 VanDerWaalsContact O-N 3.16Å; S153-T157 PolarHBondContact O-OG1 3.39Å; Q154-T157 PolarHBondContact O-N 2.79Å; T157-G160 PolarHBondContact O-N 3.35Å
158Q64.9Low76.2Confident150 Ų15083.2 Ų83.270%0.70143%0.432SS*.Hα-helixtrans-74.1-32-177.1-72.2171.620.700113.3Q154 G160Q154-Q158 VanDerWaalsContact O-CB 3.27Å; Q154-Q158 WeakPolarHBondContact O-CB 3.13Å; Q154-Q158 WeakPolarHBondContact O-CG 3.27Å; Q154-Q158 PolarHBondContact O-N 2.69Å; Q158-G160 VanDerWaalsContact C-N 3.25Å; Q158-G160 PolarHBondContact O-N 3.19Å
159T70.7Confident76.2Confident88 Ų8887 Ų8754%0.5445%0.446SS..Hα-helixtrans-75.4-12.9177.651.20000113.4E155 F156 L161E155-T159 WeakPolarHBondContact O-CB 3.19Å; E155-T159 VanDerWaalsContact O-CG2 3.26Å; E155-T159 WeakPolarHBondContact O-CG2 3.4Å; E155-T159 PolarHBondContact O-N 3.08Å; E155-T159 PolarHBondContact O-OG1 3.46Å; F156-T159 PolarHBondContact O-OG1 2.91Å; T159-L161 PolarHBondContact O-N 3.46Å; T159-L161 WeakPolarHBondContact OG1-CD1 3.12Å; T159-L161 WeakPolarHBondContact OG1-CG 3.25Å
160G69.3Low76.2Confident57 Ų5790.2 Ų90.259%0.58846%0.464SS*.THydrogen-bonded Turntrans66.114.2-178.400000114T157 Q158T157-G160 PolarHBondContact O-N 3.35Å; Q158-G160 VanDerWaalsContact C-N 3.25Å; Q158-G160 PolarHBondContact O-N 3.19Å
161L70.4Confident76.5Confident87 Ų8790.5 Ų90.546%0.45546%0.464SS..  trans-61.9142.6-178.8-73.8170.5000110.8F156 T159 Y163F156-L161 WeakPolarHBondContact CE1-O 3.26Å; F156-L161 HydrophobicContact CE2-CB 4.38Å; F156-L161 HydrophobicContact CZ-CB 4.36Å; F156-L161 WeakPolarHBondContact CZ-O 3.17Å; T159-L161 PolarHBondContact O-N 3.46Å; T159-L161 WeakPolarHBondContact OG1-CD1 3.12Å; T159-L161 WeakPolarHBondContact OG1-CG 3.25Å; L161-Y163 HydrophobicContact CB-CE1 4.37Å; L161-Y163 HydrophobicContact CD1-CE1 4.38Å
162R72.8Confident77Confident233 Ų23387 Ų8788%0.87945%0.445SS*.  trans-130.8106.9173.6-68.6-172.3176.9-163.2-1.8108.7
163Y76.1Confident77.9Confident76 Ų7686.6 Ų86.630%0.29845%0.446SS..  trans-79.8132-179.8-81.924.5000110.2F156 L161 N167 W168 E171F156-Y163 AromaticContact CE2-CD1 3.67Å; F156-Y163 HydrophobicContact CE2-CD1 3.67Å; F156-Y163 HydrophobicContact CE2-CD2 4.26Å; F156-Y163 AromaticContact CE2-CE1 3.77Å; F156-Y163 HydrophobicContact CE2-CE1 3.77Å; F156-Y163 HydrophobicContact CE2-CE2 4.33Å; F156-Y163 AromaticContact CE2-CG 3.94Å; F156-Y163 HydrophobicContact CE2-CG 3.94Å; F156-Y163 AromaticContact CZ-CD1 3.95Å; F156-Y163 HydrophobicContact CZ-CD1 3.95Å; F156-Y163 HydrophobicContact CZ-CE1 4.46Å; F156-Y163 HydrophobicContact CZ-CG 4.15Å; L161-Y163 HydrophobicContact CB-CE1 4.37Å; L161-Y163 HydrophobicContact CD1-CE1 4.38Å; Y163-N167 HydrophobicContact CD2-CB 3.99Å; Y163-N167 HydrophobicContact CG-CB 3.99Å; Y163-W168 AromaticContact CD2-CD2 3.83Å; Y163-W168 HydrophobicContact CD2-CD2 3.83Å; Y163-W168 AromaticContact CD2-CE2 3.86Å; Y163-W168 AromaticContact CD2-CE3 3.87Å; Y163-W168 HydrophobicContact CD2-CE3 3.87Å; Y163-W168 HydrophobicContact CD2-CH2 4.03Å; Y163-W168 AromaticContact CD2-CZ2 3.97Å; Y163-W168 HydrophobicContact CD2-CZ2 3.97Å; Y163-W168 AromaticContact CD2-CZ3 3.97Å; Y163-W168 HydrophobicContact CD2-CZ3 3.97Å; Y163-W168 HydrophobicContact CE2-CE3 4.46Å; Y163-W168 HydrophobicContact CE2-CZ3 4.33Å; Y163-W168 HydrophobicContact CG-CD2 4.49Å; Y163-W168 HydrophobicContact CG-CZ2 4.24Å; Y163-E171 HydrophobicContact CE2-CG 3.77Å
164T78.8Confident79Confident80 Ų8090 Ų9049%0.49146%0.457SS..  trans-74.8166.1167.169.80000110.2M166 N167 W168T164-M166 PolarHBondContact O-N 3.41Å; T164-M166 PolarHBondContact OG1-N 3.44Å; T164-N167 WeakPolarHBondContact CB-OD1 3.41Å; T164-N167 PolarHBondContact N-OD1 2.96Å; T164-N167 PolarHBondContact O-N 3.33Å; T164-N167 VanDerWaalsContact O-N 3.09Å; T164-N167 PolarHBondContact OG1-N 3.05Å; T164-N167 PolarHBondContact OG1-OD1 2.99Å; T164-W168 PolarHBondContact O-N 2.93Å
165T82.1Confident80.7Confident111 Ų11183.6 Ų83.668%0.68143%0.428SS*.Hα-helixtrans-53.1-40.1172.9-43.10000111.9N167 W168 E169T165-N167 PolarHBondContact O-N 3Å; T165-W168 PolarHBondContact O-N 3.29Å; T165-E169 PolarHBondContact O-N 2.87Å
166M83.9Confident82.2Confident139 Ų13979.5 Ų79.569%0.68541%0.409SS*.Hα-helixtrans-64.6-40178.1-67.2-16472.400112.5T164 W168 E169 D170T164-M166 PolarHBondContact O-N 3.41Å; T164-M166 PolarHBondContact OG1-N 3.44Å; M166-W168 PolarHBondContact O-N 2.78Å; M166-E169 CarbonylContact O-C 3.6Å; M166-E169 WeakPolarHBondContact O-CA 3.47Å; M166-E169 WeakPolarHBondContact O-CB 3.17Å; M166-E169 PolarHBondContact O-N 2.85Å; M166-D170 VanDerWaalsContact O-CG 3.24Å; M166-D170 PolarHBondContact O-N 3.39Å
167N86.2Confident83.7Confident55 Ų5585.1 Ų85.129%0.29443%0.433SS..Hα-helixtrans-63-34.6176.1-53.5121.4000111.6Y163 T164 T165 D170 E171Y163-N167 HydrophobicContact CD2-CB 3.99Å; Y163-N167 HydrophobicContact CG-CB 3.99Å; T164-N167 WeakPolarHBondContact CB-OD1 3.41Å; T164-N167 PolarHBondContact N-OD1 2.96Å; T164-N167 PolarHBondContact O-N 3.33Å; T164-N167 VanDerWaalsContact O-N 3.09Å; T164-N167 PolarHBondContact OG1-N 3.05Å; T164-N167 PolarHBondContact OG1-OD1 2.99Å; T165-N167 PolarHBondContact O-N 3Å; N167-D170 PolarHBondContact O-N 3.17Å; N167-E171 WeakPolarHBondContact O-CG 3.45Å; N167-E171 PolarHBondContact O-N 2.8Å
168W88.2Confident85.1Confident22 Ų2282.5 Ų82.58%0.08342%0.415CS..Hα-helixtrans-72.2-25.7172.8-68.8120.7000113.9K143 F146 Q147 L150 L151 F156 Y163 T164 T165 M166 W172K143-W168 WeakPolarHBondContact CE-O 3.27Å; K143-W168 PolarHBondContact NZ-O 2.66Å; F146-W168 HydrophobicContact CE1-CZ3 4.31Å; Q147-W168 HydrophobicContact CB-CH2 4.49Å; Q147-W168 HydrophobicContact CB-CZ3 4.47Å; Q147-W168 HydrophobicContact CG-CD2 3.78Å; Q147-W168 HydrophobicContact CG-CE3 3.65Å; Q147-W168 HydrophobicContact CG-CG 4.31Å; Q147-W168 HydrophobicContact CG-CH2 4.33Å; Q147-W168 HydrophobicContact CG-CZ2 4.45Å; Q147-W168 HydrophobicContact CG-CZ3 3.94Å; L150-W168 HydrophobicContact CB-CH2 3.97Å; L150-W168 HydrophobicContact CB-CZ3 4.28Å; L150-W168 HydrophobicContact CD2-CH2 4.27Å; L150-W168 HydrophobicContact CD2-CZ3 3.9Å; L151-W168 HydrophobicContact CD2-CZ2 4.16Å; L151-W168 HydrophobicContact CG-CH2 4.49Å; L151-W168 HydrophobicContact CG-CZ2 4.17Å; F156-W168 HydrophobicContact CE2-CH2 4.28Å; F156-W168 HydrophobicContact CE2-CZ2 4.32Å; F156-W168 HydrophobicContact CZ-CZ2 4.3Å; Y163-W168 AromaticContact CD2-CD2 3.83Å; Y163-W168 HydrophobicContact CD2-CD2 3.83Å; Y163-W168 AromaticContact CD2-CE2 3.86Å; Y163-W168 AromaticContact CD2-CE3 3.87Å; Y163-W168 HydrophobicContact CD2-CE3 3.87Å; Y163-W168 HydrophobicContact CD2-CH2 4.03Å; Y163-W168 AromaticContact CD2-CZ2 3.97Å; Y163-W168 HydrophobicContact CD2-CZ2 3.97Å; Y163-W168 AromaticContact CD2-CZ3 3.97Å; Y163-W168 HydrophobicContact CD2-CZ3 3.97Å; Y163-W168 HydrophobicContact CE2-CE3 4.46Å; Y163-W168 HydrophobicContact CE2-CZ3 4.33Å; Y163-W168 HydrophobicContact CG-CD2 4.49Å; Y163-W168 HydrophobicContact CG-CZ2 4.24Å; T164-W168 PolarHBondContact O-N 2.93Å; T165-W168 PolarHBondContact O-N 3.29Å; M166-W168 PolarHBondContact O-N 2.78Å; W168-W172 VanDerWaalsContact O-CB 3.29Å; W168-W172 WeakPolarHBondContact O-CB 3.04Å; W168-W172 PolarHBondContact O-N 3.39Å
169E91.3Very high86.6Confident99 Ų9975.4 Ų75.446%0.46338%0.381SS..Hα-helixtrans-69.4-50165-58.6-46.1129.800110.7K143 T165 M166 E171 W172 D173K143-E169 IonicContact NZ-OE1 2.62Å; K143-E169 PolarHBondContact NZ-OE1 2.83Å; K143-E169 IonicContact NZ-OE2 2.69Å; K143-E169 PolarHBondContact NZ-OE2 3.43Å; T165-E169 PolarHBondContact O-N 2.87Å; M166-E169 CarbonylContact O-C 3.6Å; M166-E169 WeakPolarHBondContact O-CA 3.47Å; M166-E169 WeakPolarHBondContact O-CB 3.17Å; M166-E169 PolarHBondContact O-N 2.85Å; E169-E171 PolarHBondContact O-N 2.93Å; E169-W172 PolarHBondContact O-N 2.77Å; E169-W172 VanDerWaalsContact O-N 3.09Å; E169-D173 PolarHBondContact O-N 2.65Å
170D91.9Very high87.8Confident84 Ų8472.4 Ų72.445%0.44936%0.364SS..Hα-helixtrans-58.3-45.3-177.5-65-36.1000112.8M166 N167 K174M166-D170 VanDerWaalsContact O-CG 3.24Å; M166-D170 PolarHBondContact O-N 3.39Å; N167-D170 PolarHBondContact O-N 3.17Å; D170-K174 WeakPolarHBondContact O-CE 3.38Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.39Å
171E91.4Very high88.9Confident49 Ų4971.3 Ų71.323%0.22935%0.347CS..Hα-helixtrans-68.2-38.4174.9-62.8-38.4128.900111.9Y163 N167 E169 D173 K174 I175Y163-E171 HydrophobicContact CE2-CG 3.77Å; N167-E171 WeakPolarHBondContact O-CG 3.45Å; N167-E171 PolarHBondContact O-N 2.8Å; E169-E171 PolarHBondContact O-N 2.93Å; E171-D173 PolarHBondContact O-N 3.03Å; E171-K174 WeakPolarHBondContact O-CB 3.47Å; E171-K174 PolarHBondContact O-N 3.4Å; E171-K174 IonicContact OE1-NZ 3.13Å; E171-K174 PolarHBondContact OE1-NZ 3.49Å; E171-K174 WeakPolarHBondContact OE2-CD 3.45Å; E171-K174 WeakPolarHBondContact OE2-CE 3.4Å; E171-K174 IonicContact OE2-NZ 2.7Å; E171-K174 PolarHBondContact OE2-NZ 2.87Å; E171-I175 WeakPolarHBondContact O-CG1 3.24Å; E171-I175 PolarHBondContact O-N 3.13Å
172W95.3Very high89.9Confident14 Ų1472 Ų725%0.05335%0.354CS..Hα-helixtrans-65.9-40.4179.3-168.9-112000111.9L134 T139 F142 K143 F146 W168 E169 K174 I175 V176 I196L134-W172 HydrophobicContact CD2-CH2 4.02Å; L134-W172 HydrophobicContact CD2-CZ2 3.56Å; T139-W172 HydrophobicContact CG2-CZ2 4.28Å; T139-W172 PolarHBondContact OG1-NE1 3.3Å; F142-W172 HydrophobicContact CB-CH2 3.84Å; F142-W172 HydrophobicContact CB-CZ2 4.14Å; K143-W172 HydrophobicContact CB-CD2 3.97Å; K143-W172 HydrophobicContact CB-CE3 4.17Å; K143-W172 HydrophobicContact CB-CH2 4.44Å; K143-W172 HydrophobicContact CB-CZ2 4.24Å; K143-W172 HydrophobicContact CB-CZ3 4.39Å; K143-W172 HydrophobicContact CD-CB 4.12Å; K143-W172 HydrophobicContact CD-CD2 4.11Å; K143-W172 HydrophobicContact CD-CG 3.78Å; K143-W172 HydrophobicContact CG-CD2 3.88Å; K143-W172 HydrophobicContact CG-CE3 4.06Å; K143-W172 HydrophobicContact CG-CG 4.06Å; F146-W172 HydrophobicContact CB-CE3 4.45Å; F146-W172 HydrophobicContact CB-CZ3 3.87Å; F146-W172 AromaticContact CD1-CE3 3.91Å; F146-W172 HydrophobicContact CD1-CE3 3.91Å; F146-W172 HydrophobicContact CD1-CZ3 4.11Å; F146-W172 HydrophobicContact CE1-CE3 4.43Å; F146-W172 HydrophobicContact CG-CE3 4.27Å; F146-W172 AromaticContact CG-CZ3 3.99Å; F146-W172 HydrophobicContact CG-CZ3 3.99Å; W168-W172 VanDerWaalsContact O-CB 3.29Å; W168-W172 WeakPolarHBondContact O-CB 3.04Å; W168-W172 PolarHBondContact O-N 3.39Å; E169-W172 PolarHBondContact O-N 2.77Å; E169-W172 VanDerWaalsContact O-N 3.09Å; W172-K174 VanDerWaalsContact C-N 3.26Å; W172-K174 PolarHBondContact O-N 2.96Å; W172-I175 HydrophobicContact CE3-CB 4.37Å; W172-I175 HydrophobicContact CE3-CG1 4.49Å; W172-I175 HydrophobicContact CE3-CG2 4.35Å; W172-I175 HydrophobicContact CH2-CG2 4.4Å; W172-I175 HydrophobicContact CZ3-CG2 4.08Å; W172-I175 WeakPolarHBondContact O-CB 3.19Å; W172-I175 PolarHBondContact O-N 2.85Å; W172-V176 VanDerWaalsContact O-CG2 3.23Å; W172-V176 WeakPolarHBondContact O-CG2 3.36Å; W172-V176 PolarHBondContact O-N 2.92Å; W172-I196 HydrophobicContact CH2-CG1 4.21Å; W172-I196 HydrophobicContact CZ3-CG1 4.06Å
173D95.9Very high90.2Very high94 Ų9464.8 Ų64.850%0.50334%0.34SS..Hα-helixtrans-67.5-25.4175.3-113.9-24.9000112.5K135 E169 E171 K177K135-D173 IonicContact NZ-OD1 3.44Å; K135-D173 PolarHBondContact NZ-OD1 3.09Å; E169-D173 PolarHBondContact O-N 2.65Å; E171-D173 PolarHBondContact O-N 3.03Å; D173-K177 WeakPolarHBondContact O-CB 3.39Å; D173-K177 PolarHBondContact O-N 2.98Å
174K95Very high90.3Very high98 Ų9862.1 Ų62.143%0.42633%0.332SS..Hα-helixtrans-68.1-49.2168.3-68173.5-140.1170.10111.9D170 E171 W172 V176 K177 M178D170-K174 WeakPolarHBondContact O-CE 3.38Å; D170-K174 WeakPolarHBondContact O-CG 3.48Å; D170-K174 PolarHBondContact O-N 3.39Å; E171-K174 WeakPolarHBondContact O-CB 3.47Å; E171-K174 PolarHBondContact O-N 3.4Å; E171-K174 IonicContact OE1-NZ 3.13Å; E171-K174 PolarHBondContact OE1-NZ 3.49Å; E171-K174 WeakPolarHBondContact OE2-CD 3.45Å; E171-K174 WeakPolarHBondContact OE2-CE 3.4Å; E171-K174 IonicContact OE2-NZ 2.7Å; E171-K174 PolarHBondContact OE2-NZ 2.87Å; W172-K174 VanDerWaalsContact C-N 3.26Å; W172-K174 PolarHBondContact O-N 2.96Å; K174-V176 VanDerWaalsContact C-N 3.31Å; K174-V176 PolarHBondContact O-N 2.9Å; K174-K177 CarbonylContact O-C 3.59Å; K174-K177 WeakPolarHBondContact O-CB 3.05Å; K174-K177 PolarHBondContact O-N 3.14Å; K174-K177 VanDerWaalsContact O-N 3.08Å; K174-M178 VanDerWaalsContact O-CG 3.31Å; K174-M178 WeakPolarHBondContact O-CG 3.41Å; K174-M178 PolarHBondContact O-N 2.58Å
175I96.1Very high89.9Confident6 Ų663.6 Ų63.63%0.03135%0.345CS..Hα-helixtrans-52.5-52174-66.3-58.7000110F146 E171 W172 K177 M178 A179 E194 I196 H197F146-I175 HydrophobicContact CE1-CG1 4.47Å; F146-I175 HydrophobicContact CE2-CD1 4.17Å; F146-I175 HydrophobicContact CE2-CG1 4.26Å; F146-I175 HydrophobicContact CZ-CD1 4.21Å; F146-I175 HydrophobicContact CZ-CG1 4Å; E171-I175 WeakPolarHBondContact O-CG1 3.24Å; E171-I175 PolarHBondContact O-N 3.13Å; W172-I175 HydrophobicContact CE3-CB 4.37Å; W172-I175 HydrophobicContact CE3-CG1 4.49Å; W172-I175 HydrophobicContact CE3-CG2 4.35Å; W172-I175 HydrophobicContact CH2-CG2 4.4Å; W172-I175 HydrophobicContact CZ3-CG2 4.08Å; W172-I175 WeakPolarHBondContact O-CB 3.19Å; W172-I175 PolarHBondContact O-N 2.85Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; I175-M178 PolarHBondContact O-N 2.84Å; I175-M178 VanDerWaalsContact O-N 3.15Å; I175-A179 PolarHBondContact O-N 3Å; I175-E194 WeakPolarHBondContact CD1-OE2 3.41Å; I175-I196 HydrophobicContact CD1-CG2 3.88Å; I175-I196 HydrophobicContact CG1-CG2 4.37Å; I175-I196 HydrophobicContact CG2-CG2 3.83Å; I175-H197 PolarHBondContact O-NE2 3.18Å; I175-H197 VanDerWaalsContact O-NE2 3.13Å
176V96.8Very high89Confident2 Ų263.7 Ų63.71%0.01234%0.342CS..Hα-helixtrans-60.8-38.2178.8177.10000112H131 L134 K135 W172 K174H131-V176 PolarHBondContact CD2-O 2.92Å; L134-V176 HydrophobicContact CB-CB 4.46Å; L134-V176 HydrophobicContact CB-CG1 4.04Å; L134-V176 HydrophobicContact CB-CG2 4.13Å; L134-V176 HydrophobicContact CD2-CG2 3.9Å; L134-V176 WeakPolarHBondContact O-CG1 3.36Å; K135-V176 HydrophobicContact CD-CG1 3.48Å; K135-V176 VanDerWaalsContact CD-CG1 3.48Å; K135-V176 HydrophobicContact CG-CG1 3.62Å; K135-V176 VanDerWaalsContact NZ-CG1 3.3Å; W172-V176 VanDerWaalsContact O-CG2 3.23Å; W172-V176 WeakPolarHBondContact O-CG2 3.36Å; W172-V176 PolarHBondContact O-N 2.92Å; K174-V176 VanDerWaalsContact C-N 3.31Å; K174-V176 PolarHBondContact O-N 2.9Å
177K95.9Very high88.2Confident146 Ų14661 Ų6164%0.63535%0.349SS*.Hα-helixtrans-67-39.6175.4-178.8-176174.7-170.90112.5D173 K174 I175 A179 S180D173-K177 WeakPolarHBondContact O-CB 3.39Å; D173-K177 PolarHBondContact O-N 2.98Å; K174-K177 CarbonylContact O-C 3.59Å; K174-K177 WeakPolarHBondContact O-CB 3.05Å; K174-K177 PolarHBondContact O-N 3.14Å; K174-K177 VanDerWaalsContact O-N 3.08Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; K177-A179 VanDerWaalsContact C-N 3.25Å; K177-A179 PolarHBondContact O-N 3.06Å; K177-S180 WeakPolarHBondContact O-CB 3.49Å; K177-S180 PolarHBondContact O-N 2.68Å
178M94.9Very high87.8Confident43 Ų4362 Ų6221%0.21235%0.354CS..Hα-helixtrans-64.6-28.4179.5-71.5164.864.700112.6R127 K174 I175 S180 D191 S192 L193 E194R127-M178 PolarHBondContact NH2-O 3.46Å; K174-M178 VanDerWaalsContact O-CG 3.31Å; K174-M178 WeakPolarHBondContact O-CG 3.41Å; K174-M178 PolarHBondContact O-N 2.58Å; I175-M178 PolarHBondContact O-N 2.84Å; I175-M178 VanDerWaalsContact O-N 3.15Å; M178-S180 PolarHBondContact O-N 3.22Å; M178-D191 HydrophobicContact CB-CB 4.44Å; M178-D191 HydrophobicContact CG-CB 4.4Å; M178-S192 VanDerWaalsContact CE-O 3.25Å; M178-S192 WeakPolarHBondContact CE-O 3.47Å; M178-L193 WeakPolarHBondContact O-CD2 3.4Å; M178-E194 HydrophobicContact CE-CG 3.84Å
179A96.5Very high87.6Confident0 Ų066.3 Ų66.30%038%0.375CS..THydrogen-bonded Turntrans-68.5-17170.600000114.2R127 L130 H131 L134 I175 K177R127-A179 WeakPolarHBondContact CG-O 3.08Å; L130-A179 HydrophobicContact CD2-CB 4.41Å; L130-A179 HydrophobicContact CG-CB 4.25Å; H131-A179 HydrophobicContact CB-CB 4.13Å; L134-A179 HydrophobicContact CD1-CB 3.6Å; I175-A179 PolarHBondContact O-N 3Å; K177-A179 VanDerWaalsContact C-N 3.25Å; K177-A179 PolarHBondContact O-N 3.06Å
180S95.6Very high87.7Confident25 Ų2561.8 Ų61.818%0.17535%0.354CS..  trans-59.9127.9-168-178.90000114R127 H131 K177 M178 V182R127-S180 PolarHBondContact NH1-O 3.46Å; R127-S180 PolarHBondContact NH2-O 3.41Å; H131-S180 VanDerWaalsContact CD2-CA 3.45Å; H131-S180 WeakPolarHBondContact CD2-CA 3.39Å; K177-S180 WeakPolarHBondContact O-CB 3.49Å; K177-S180 PolarHBondContact O-N 2.68Å; M178-S180 PolarHBondContact O-N 3.22Å; S180-V182 PolarHBondContact O-N 3.17Å; S180-V182 PolarHBondContact OG-N 2.87Å
181P92.5Very high87.7Confident35 Ų3559.4 Ų59.423%0.22734%0.341CS..SBendtrans-70.12.9179.631.5-37.3000114.4L124 K128L124-P181 HydrophobicContact CD1-CB 4.3Å; K128-P181 HydrophobicContact CG-CB 3.98Å; K128-P181 HydrophobicContact CG-CG 4.07Å
182V90.1Very high87.8Confident102 Ų10259.4 Ų59.462%0.61835%0.347SS*.SBendtrans-74.5153.4171.1-177.30000109.7S180S180-V182 PolarHBondContact O-N 3.17Å; S180-V182 PolarHBondContact OG-N 2.87Å
183S80Confident87.8Confident81 Ų8159.4 Ų59.457%0.56635%0.348SS*.PPolyproline II helixtrans-70.1142.2177.7-62.60000113.1Q189S183-Q189 CarbonylContact C-O 3.55Å; S183-Q189 WeakPolarHBondContact CA-O 3.5Å; S183-Q189 WeakPolarHBondContact CB-O 3.39Å
184S78.9Confident87.6Confident20 Ų2059 Ų5914%0.1434%0.343CS..PPolyproline II helixtrans-76.6154.9178.8-177.70000112.5N186 Q189 D191S184-N186 VanDerWaalsContact C-N 3.33Å; S184-N186 VanDerWaalsContact OG-CB 3.31Å; S184-N186 WeakPolarHBondContact OG-CB 3.44Å; S184-N186 PolarHBondContact OG-N 2.96Å; S184-N186 PolarHBondContact OG-ND2 3.07Å; S184-Q189 PolarHBondContact N-O 3.29Å; S184-D191 WeakPolarHBondContact CB-OD1 3.48Å; S184-D191 VanDerWaalsContact OG-CG 3.3Å; S184-D191 PolarHBondContact OG-OD1 3.16Å
185S70.4Confident87.6Confident110 Ų11055.4 Ų55.477%0.76933%0.328SS*.SBendtrans-81.3-11.3166.3490000113.5G187S185-G187 VanDerWaalsContact C-N 3.34Å; S185-G187 PolarHBondContact O-N 3.49Å
186N62Low87.7Confident114 Ų11455.1 Ų55.161%0.6133%0.327SS*.SBendtrans-9521.3-156.6-55.6-28.3000113.9S184 L188 D191S184-N186 VanDerWaalsContact C-N 3.33Å; S184-N186 VanDerWaalsContact OG-CB 3.31Å; S184-N186 WeakPolarHBondContact OG-CB 3.44Å; S184-N186 PolarHBondContact OG-N 2.96Å; S184-N186 PolarHBondContact OG-ND2 3.07Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.49Å; N186-D191 PolarHBondContact ND2-OD1 3.28Å
187G67.1Low87.8Confident81 Ų8155 Ų5584%0.83533%0.326SS*.SBendtrans87.8-21.317700000115.4S185S185-G187 VanDerWaalsContact C-N 3.34Å; S185-G187 PolarHBondContact O-N 3.49Å
188L78.5Confident87.9Confident78 Ų7848 Ų4841%0.40830%0.296SS..SBendtrans-85.7162.9163.2-67.4179.9000110.8N186 F190N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 3.49Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 VanDerWaalsContact CB-O 3.31Å; L188-F190 WeakPolarHBondContact CB-O 3.4Å
189Q84.6Confident88.1Confident111 Ų11146 Ų4652%0.51929%0.286SS..SBendtrans-69.1-33.5176-173.7172.9-36.500111D104 S183 S184D104-Q189 HydrophobicContact CB-CB 4.18Å; D104-Q189 PolarHBondContact O-N 2.7Å; S183-Q189 CarbonylContact C-O 3.55Å; S183-Q189 WeakPolarHBondContact CA-O 3.5Å; S183-Q189 WeakPolarHBondContact CB-O 3.39Å; S184-Q189 PolarHBondContact N-O 3.29Å
190F92Very high88.2Confident5 Ų546 Ų462%0.02229%0.286CS..SBendtrans-134.3158.4179-56.9-63.7000110.8D104 N106 L124 L188D104-F190 PolarHBondContact O-N 2.78Å; D104-F190 WeakPolarHBondContact OD2-CD2 3.47Å; D104-F190 VanDerWaalsContact OD2-CE2 3.32Å; D104-F190 WeakPolarHBondContact OD2-CE2 3.29Å; N106-F190 HydrophobicContact CB-CD2 3.96Å; N106-F190 HydrophobicContact CB-CE2 4.5Å; L124-F190 HydrophobicContact CD1-CE1 3.8Å; L124-F190 HydrophobicContact CD1-CZ 3.58Å; L124-F190 HydrophobicContact CD2-CE1 4.33Å; L124-F190 HydrophobicContact CD2-CE2 3.74Å; L124-F190 HydrophobicContact CD2-CZ 3.62Å; L124-F190 HydrophobicContact CG-CZ 4.18Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-F190 VanDerWaalsContact CB-O 3.31Å; L188-F190 WeakPolarHBondContact CB-O 3.4Å
191D92.2Very high88.4Confident33 Ų3344.9 Ų44.918%0.17628%0.278CS..  trans-73.7138.6171.1-66.2-54.8000110.2M178 S184 N186M178-D191 HydrophobicContact CB-CB 4.44Å; M178-D191 HydrophobicContact CG-CB 4.4Å; S184-D191 WeakPolarHBondContact CB-OD1 3.48Å; S184-D191 VanDerWaalsContact OG-CG 3.3Å; S184-D191 PolarHBondContact OG-OD1 3.16Å; N186-D191 PolarHBondContact ND2-OD1 3.28Å
192S92.6Very high88.7Confident49 Ų4943.2 Ų43.234%0.34327%0.267SS..  trans-62.7155.3177.5-59.60000112M178M178-S192 VanDerWaalsContact CE-O 3.25Å; M178-S192 WeakPolarHBondContact CE-O 3.47Å
193L95.4Very high89.1Confident14 Ų1438.3 Ų38.37%0.07324%0.237CC..  trans-113136.8-176.6-58.1-179.9000111.8L108 L109 L130 M178 H197L108-L193 HydrophobicContact CB-CD1 4.46Å; L108-L193 HydrophobicContact CD2-CB 3.91Å; L108-L193 HydrophobicContact CD2-CD1 4.06Å; L109-L193 HydrophobicContact CD1-CD1 4.03Å; L109-L193 HydrophobicContact CD2-CD1 4.32Å; L109-L193 HydrophobicContact CG-CD1 3.97Å; L130-L193 HydrophobicContact CD2-CD1 3.76Å; M178-L193 WeakPolarHBondContact O-CD2 3.4Å; L193-H197 HydrophobicContact CB-CB 3.97Å
194E93Very high89.9Confident86 Ų8634.6 Ų34.640%0.40221%0.211SC..  trans-96.3175-176.6-63.1176.8166.200113.3I175 M178 I196 H197 I198I175-E194 WeakPolarHBondContact CD1-OE2 3.41Å; M178-E194 HydrophobicContact CE-CG 3.84Å; E194-I196 VanDerWaalsContact C-N 3.34Å; E194-I196 PolarHBondContact O-N 3.13Å; E194-H197 PolarHBondContact N-ND1 2.73Å; E194-H197 VanDerWaalsContact N-ND1 3.12Å; E194-H197 WeakPolarHBondContact O-CA 3.47Å; E194-H197 VanDerWaalsContact O-CB 3.24Å; E194-H197 WeakPolarHBondContact O-CB 3.5Å; E194-H197 PolarHBondContact O-N 2.83Å; E194-H197 PolarHBondContact O-ND1 3.01Å; E194-I198 PolarHBondContact O-N 3.24Å
195D95.3Very high90.9Very high22 Ų2233.6 Ų33.612%0.11820%0.204CC..Hα-helixtrans-49.3-43.2-177.754.211.8000114.7H197 I198 F199 Y235 F292D195-H197 PolarHBondContact O-N 3.17Å; D195-I198 WeakPolarHBondContact O-CA 3.29Å; D195-I198 VanDerWaalsContact O-CB 3.28Å; D195-I198 WeakPolarHBondContact O-CB 3.43Å; D195-I198 PolarHBondContact O-N 2.95Å; D195-F199 PolarHBondContact O-N 2.88Å; D195-Y235 HydrophobicContact CB-CE1 4.06Å; D195-Y235 WeakPolarHBondContact CB-OH 3.46Å; D195-Y235 WeakPolarHBondContact O-CE1 3.42Å; D195-F292 HydrophobicContact CB-CE2 4.3Å; D195-F292 HydrophobicContact CB-CZ 4.24Å
196I97.4Very high92.2Very high0 Ų029.4 Ų29.40%017%0.171CC..Hα-helixtrans-60.3-30.3176.7-174.858.1000112.6F146 W172 I175 E194 F199 I200 F292F146-I196 HydrophobicContact CB-CD1 4.02Å; F146-I196 HydrophobicContact CB-CG1 4.18Å; F146-I196 HydrophobicContact CD2-CB 3.96Å; F146-I196 HydrophobicContact CD2-CG1 4.09Å; F146-I196 HydrophobicContact CD2-CG2 4.08Å; F146-I196 HydrophobicContact CE2-CG2 4.25Å; F146-I196 HydrophobicContact CG-CG1 4.46Å; W172-I196 HydrophobicContact CH2-CG1 4.21Å; W172-I196 HydrophobicContact CZ3-CG1 4.06Å; I175-I196 HydrophobicContact CD1-CG2 3.88Å; I175-I196 HydrophobicContact CG1-CG2 4.37Å; I175-I196 HydrophobicContact CG2-CG2 3.83Å; E194-I196 VanDerWaalsContact C-N 3.34Å; E194-I196 PolarHBondContact O-N 3.13Å; I196-F199 HydrophobicContact CD1-CD1 4.19Å; I196-F199 PolarHBondContact O-N 3.02Å; I196-I200 HydrophobicContact CG1-CD1 4.12Å; I196-I200 WeakPolarHBondContact O-CD1 3.08Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.37Å; I196-I200 PolarHBondContact O-N 3.34Å; I196-F292 HydrophobicContact CB-CE1 4.31Å; I196-F292 HydrophobicContact CB-CE2 4.36Å; I196-F292 HydrophobicContact CB-CZ 3.79Å; I196-F292 HydrophobicContact CD1-CD1 4.18Å; I196-F292 HydrophobicContact CD1-CE1 3.94Å; I196-F292 HydrophobicContact CD1-CE2 4.29Å; I196-F292 HydrophobicContact CD1-CG 4.48Å; I196-F292 HydrophobicContact CD1-CZ 4Å; I196-F292 HydrophobicContact CG1-CZ 4.48Å
197H98.6Very high94Very high0 Ų024 Ų240%014%0.142CC..Hα-helixtrans-72.7-31.4174.3-56.587.7000111.9L108 L130 I175 L193 E194 D195 F199 L201L108-H197 HydrophobicContact CD2-CB 4.33Å; L130-H197 HydrophobicContact CD2-CB 4.2Å; I175-H197 PolarHBondContact O-NE2 3.18Å; I175-H197 VanDerWaalsContact O-NE2 3.13Å; L193-H197 HydrophobicContact CB-CB 3.97Å; E194-H197 PolarHBondContact N-ND1 2.73Å; E194-H197 VanDerWaalsContact N-ND1 3.12Å; E194-H197 WeakPolarHBondContact O-CA 3.47Å; E194-H197 VanDerWaalsContact O-CB 3.24Å; E194-H197 WeakPolarHBondContact O-CB 3.5Å; E194-H197 PolarHBondContact O-N 2.83Å; E194-H197 PolarHBondContact O-ND1 3.01Å; D195-H197 PolarHBondContact O-N 3.17Å; H197-F199 VanDerWaalsContact C-N 3.34Å; H197-L201 WeakPolarHBondContact O-CB 3.39Å; H197-L201 PolarHBondContact O-N 3.46Å
198I98.8Very high95.5Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-67-39.9173.1-44.3-179.9000109.8L108 E194 D195 L201 S202 I209 V211 V231 Y235 F259L108-I198 HydrophobicContact CD1-CD1 4.31Å; L108-I198 HydrophobicContact CD1-CG1 3.88Å; L108-I198 HydrophobicContact CD1-CG2 4.42Å; L108-I198 HydrophobicContact CD2-CG1 3.81Å; E194-I198 PolarHBondContact O-N 3.24Å; D195-I198 WeakPolarHBondContact O-CA 3.29Å; D195-I198 VanDerWaalsContact O-CB 3.28Å; D195-I198 WeakPolarHBondContact O-CB 3.43Å; D195-I198 PolarHBondContact O-N 2.95Å; I198-L201 PolarHBondContact O-N 3.22Å; I198-S202 PolarHBondContact O-N 3.36Å; I198-I209 HydrophobicContact CG2-CB 4.16Å; I198-I209 HydrophobicContact CG2-CD1 3.99Å; I198-I209 HydrophobicContact CG2-CG2 3.93Å; I198-V211 HydrophobicContact CD1-CG2 4.14Å; I198-V211 HydrophobicContact CG2-CG2 4.23Å; I198-V231 HydrophobicContact CD1-CG1 3.98Å; I198-Y235 HydrophobicContact CB-CD1 3.9Å; I198-Y235 HydrophobicContact CB-CD2 4.46Å; I198-Y235 HydrophobicContact CB-CE1 3.85Å; I198-Y235 HydrophobicContact CB-CE2 4.44Å; I198-Y235 HydrophobicContact CB-CG 4.2Å; I198-Y235 HydrophobicContact CD1-CE1 4.38Å; I198-Y235 HydrophobicContact CD1-CE2 4.24Å; I198-Y235 HydrophobicContact CG2-CD1 4.02Å; I198-Y235 HydrophobicContact CG2-CD2 3.79Å; I198-Y235 HydrophobicContact CG2-CE1 4.24Å; I198-Y235 HydrophobicContact CG2-CE2 4.04Å; I198-Y235 HydrophobicContact CG2-CG 3.78Å; I198-F259 HydrophobicContact CD1-CE1 3.8Å; I198-F259 HydrophobicContact CD1-CZ 3.65Å; I198-F259 HydrophobicContact CG1-CZ 4.43Å
199F98.7Very high96.5Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-65-48.8173.5-176.8-108.3000112.4F142 R145 D195 I196 H197 L201 S202 N203 Y235 L236 L238 H239 F292F142-F199 AromaticContact CD1-CD1 3.74Å; F142-F199 HydrophobicContact CD1-CD1 3.74Å; F142-F199 AromaticContact CD1-CE1 3.68Å; F142-F199 HydrophobicContact CD1-CE1 3.68Å; F142-F199 AromaticContact CE1-CD1 3.88Å; F142-F199 HydrophobicContact CE1-CD1 3.88Å; F142-F199 AromaticContact CE1-CE1 3.77Å; F142-F199 HydrophobicContact CE1-CE1 3.77Å; R145-F199 VanDerWaalsContact CD-CE1 3.48Å; D195-F199 PolarHBondContact O-N 2.88Å; I196-F199 HydrophobicContact CD1-CD1 4.19Å; I196-F199 PolarHBondContact O-N 3.02Å; H197-F199 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 3.39Å; F199-S202 PolarHBondContact O-N 3.48Å; F199-S202 PolarHBondContact O-OG 2.91Å; F199-N203 PolarHBondContact O-N 3.03Å; F199-N203 PolarHBondContact O-ND2 2.96Å; F199-Y235 HydrophobicContact CB-CD1 4.07Å; F199-L236 WeakPolarHBondContact CE2-O 3.4Å; F199-L238 HydrophobicContact CE2-CB 4.36Å; F199-L238 HydrophobicContact CE2-CD1 4Å; F199-L238 HydrophobicContact CE2-CG 4.19Å; F199-L238 HydrophobicContact CZ-CB 4.18Å; F199-L238 HydrophobicContact CZ-CD1 4.24Å; F199-L238 HydrophobicContact CZ-CG 4.46Å; F199-H239 AromaticContact CE1-CE1 3.86Å; F199-F292 HydrophobicContact CB-CD2 3.41Å; F199-F292 VanDerWaalsContact CB-CD2 3.41Å; F199-F292 HydrophobicContact CB-CE2 3.74Å; F199-F292 HydrophobicContact CB-CG 4.33Å; F199-F292 HydrophobicContact CD1-CB 4.22Å; F199-F292 HydrophobicContact CD1-CD2 4.16Å; F199-F292 HydrophobicContact CD1-CG 4.28Å; F199-F292 HydrophobicContact CD2-CB 3.97Å; F199-F292 AromaticContact CD2-CD2 3.89Å; F199-F292 HydrophobicContact CD2-CD2 3.89Å; F199-F292 HydrophobicContact CD2-CG 4.34Å; F199-F292 HydrophobicContact CE1-CB 4.24Å; F199-F292 HydrophobicContact CE2-CB 3.99Å; F199-F292 HydrophobicContact CG-CB 4.09Å; F199-F292 AromaticContact CG-CD2 3.56Å; F199-F292 HydrophobicContact CG-CD2 3.56Å; F199-F292 HydrophobicContact CG-CE2 4.36Å; F199-F292 HydrophobicContact CG-CG 4.07Å; F199-F292 HydrophobicContact CZ-CB 4.14Å
200I98.7Very high97.1Very high0 Ų011.1 Ų11.10%06%0.059CC..Hα-helixtrans-60.9-39176-61.3154.6000110.2L130 V133 L134 F142 I196 N203 I204L130-I200 HydrophobicContact CD1-CB 3.77Å; L130-I200 HydrophobicContact CD1-CG2 3.56Å; V133-I200 HydrophobicContact CB-CG2 4.28Å; V133-I200 HydrophobicContact CG1-CG2 3.94Å; L134-I200 HydrophobicContact CD1-CD1 3.98Å; L134-I200 HydrophobicContact CD2-CD1 3.67Å; L134-I200 HydrophobicContact CG-CD1 4Å; F142-I200 HydrophobicContact CD1-CB 4.48Å; F142-I200 HydrophobicContact CD1-CD1 4.47Å; F142-I200 HydrophobicContact CD1-CG1 3.45Å; F142-I200 VanDerWaalsContact CD1-CG1 3.45Å; F142-I200 HydrophobicContact CD2-CG1 4.48Å; F142-I200 HydrophobicContact CE1-CB 4.15Å; F142-I200 HydrophobicContact CE1-CG1 3.6Å; F142-I200 HydrophobicContact CE1-CG2 4.38Å; F142-I200 HydrophobicContact CG-CG1 3.94Å; F142-I200 HydrophobicContact CZ-CG1 4.2Å; F142-I200 HydrophobicContact CZ-CG2 4.25Å; I196-I200 HydrophobicContact CG1-CD1 4.12Å; I196-I200 WeakPolarHBondContact O-CD1 3.08Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.37Å; I196-I200 PolarHBondContact O-N 3.34Å; I200-N203 PolarHBondContact O-N 2.96Å; I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 HydrophobicContact CG2-CG1 4.45Å; I200-I204 WeakPolarHBondContact O-CG1 3.19Å; I200-I204 PolarHBondContact O-N 3.11Å
201L98.9Very high97.5Very high1 Ų110.9 Ų10.91%0.0056%0.058CC..Hα-helixtrans-62.1-44.9175.3-178.365.2000112.9L108 L109 A112 H197 I198 F199 N203 I204 L205 I209L108-L201 HydrophobicContact CD1-CD2 4.4Å; L108-L201 HydrophobicContact CD2-CD2 4.43Å; L108-L201 HydrophobicContact CG-CD2 4.14Å; L109-L201 HydrophobicContact CD2-CD1 3.81Å; L109-L201 HydrophobicContact CD2-CD2 3.54Å; L109-L201 HydrophobicContact CD2-CG 4.21Å; A112-L201 HydrophobicContact CB-CD2 3.96Å; H197-L201 WeakPolarHBondContact O-CB 3.39Å; H197-L201 PolarHBondContact O-N 3.46Å; I198-L201 PolarHBondContact O-N 3.22Å; F199-L201 PolarHBondContact O-N 3.39Å; L201-N203 PolarHBondContact O-N 2.94Å; L201-I204 PolarHBondContact O-N 3.12Å; L201-I204 VanDerWaalsContact O-N 3.12Å; L201-L205 HydrophobicContact CD1-CD1 3.95Å; L201-L205 HydrophobicContact CD1-CD2 4.48Å; L201-L205 HydrophobicContact CD1-CG 4Å; L201-L205 HydrophobicContact CD2-CD1 4.5Å; L201-L205 HydrophobicContact CG-CD1 3.88Å; L201-L205 HydrophobicContact CG-CG 4.26Å; L201-L205 WeakPolarHBondContact O-CB 3.44Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 2.95Å; L201-I209 HydrophobicContact CB-CD1 4.27Å; L201-I209 HydrophobicContact CD2-CD1 3.87Å; L201-I209 HydrophobicContact CG-CD1 3.95Å
202S98.8Very high97.7Very high0 Ų09.8 Ų9.80%05%0.052CC..Hα-helixtrans-59.4-36.9177.777.80000111.3I198 F199 L205 R206 R207 Y235 L236 P237I198-S202 PolarHBondContact O-N 3.36Å; F199-S202 PolarHBondContact O-N 3.48Å; F199-S202 PolarHBondContact O-OG 2.91Å; S202-L205 CarbonylContact O-C 3.05Å; S202-L205 PolarHBondContact O-N 3.04Å; S202-R206 WeakPolarHBondContact O-CA 3.41Å; S202-R206 PolarHBondContact O-N 2.83Å; S202-R207 WeakPolarHBondContact CA-O 3.24Å; S202-R207 WeakPolarHBondContact CB-O 3.37Å; S202-R207 PolarHBondContact O-N 3.13Å; S202-R207 VanDerWaalsContact O-N 3.08Å; S202-Y235 WeakPolarHBondContact CB-O 3.47Å; S202-Y235 PolarHBondContact OG-O 3.13Å; S202-L236 PolarHBondContact OG-O 2.85Å; S202-P237 WeakPolarHBondContact O-CB 3.44Å
203N98.6Very high97.7Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-70.9-37.2175.2-72.2-91.2000113M41 F142 F199 I200 L201 L205 R206 P237 L238 H239 W240M41-N203 HydrophobicContact CE-CB 3.75Å; M41-N203 HydrophobicContact SD-CB 3.72Å; F142-N203 HydrophobicContact CE1-CB 4.37Å; F142-N203 HydrophobicContact CZ-CB 4.22Å; F199-N203 PolarHBondContact O-N 3.03Å; F199-N203 PolarHBondContact O-ND2 2.96Å; I200-N203 PolarHBondContact O-N 2.96Å; L201-N203 PolarHBondContact O-N 2.94Å; N203-L205 VanDerWaalsContact C-N 3.34Å; N203-R206 PolarHBondContact O-N 3.44Å; N203-P237 WeakPolarHBondContact OD1-CA 3.29Å; N203-P237 PolarHBondContact OD1-O 2.95Å; N203-L238 PolarHBondContact OD1-N 3.33Å; N203-L238 VanDerWaalsContact OD1-N 3.1Å; N203-H239 VanDerWaalsContact OD1-CB 3.3Å; N203-H239 WeakPolarHBondContact OD1-CB 3.33Å; N203-H239 PolarHBondContact OD1-N 2.91Å; N203-H239 PolarHBondContact OD1-ND1 3.37Å; N203-W240 PolarHBondContact O-NE1 3.13Å
204I98.6Very high97Very high2 Ų28.3 Ų8.31%0.014%0.041CC..Hα-helixtrans-64.2-39.5171.3-68.6167000111.1M41 H43 L44 A129 L130 V133 I200 L201 R206M41-I204 HydrophobicContact CE-CB 4.43Å; M41-I204 HydrophobicContact CE-CG1 3.55Å; H43-I204 CarbonylContact C-O 3.5Å; H43-I204 WeakPolarHBondContact CA-O 3.29Å; H43-I204 WeakPolarHBondContact CB-O 3.2Å; L44-I204 PolarHBondContact N-O 2.92Å; A129-I204 HydrophobicContact CB-CG2 4.42Å; L130-I204 HydrophobicContact CB-CD1 4.17Å; L130-I204 HydrophobicContact CD1-CD1 4.18Å; V133-I204 HydrophobicContact CG2-CD1 3.89Å; V133-I204 HydrophobicContact CG2-CG1 3.91Å; I200-I204 HydrophobicContact CG2-CD1 4Å; I200-I204 HydrophobicContact CG2-CG1 4.45Å; I200-I204 WeakPolarHBondContact O-CG1 3.19Å; I200-I204 PolarHBondContact O-N 3.11Å; L201-I204 PolarHBondContact O-N 3.12Å; L201-I204 VanDerWaalsContact O-N 3.12Å; I204-R206 VanDerWaalsContact C-N 3.34Å
205L98.6Very high96Very high0 Ų07.9 Ų7.90%04%0.039CC..Hα-helixtrans-82.2-10.9179.6-60.5-179.2000113L44 H48 A112 M116 L126 L201 S202 N203 R207 I250L44-L205 HydrophobicContact CD1-CD2 3.49Å; L44-L205 VanDerWaalsContact CD1-CD2 3.49Å; L44-L205 HydrophobicContact CG-CD2 4.04Å; H48-L205 HydrophobicContact CB-CB 4.39Å; H48-L205 WeakPolarHBondContact CB-O 3.45Å; H48-L205 PolarHBondContact CD2-O 2.85Å; H48-L205 VanDerWaalsContact CD2-O 3.26Å; A112-L205 HydrophobicContact CB-CD1 4.45Å; M116-L205 HydrophobicContact CE-CD1 3.82Å; M116-L205 HydrophobicContact CE-CD2 3.72Å; M116-L205 HydrophobicContact CE-CG 4.44Å; M116-L205 HydrophobicContact SD-CD1 4.15Å; M116-L205 HydrophobicContact SD-CD2 4.1Å; L126-L205 HydrophobicContact CD2-CD2 4.37Å; L201-L205 HydrophobicContact CD1-CD1 3.95Å; L201-L205 HydrophobicContact CD1-CD2 4.48Å; L201-L205 HydrophobicContact CD1-CG 4Å; L201-L205 HydrophobicContact CD2-CD1 4.5Å; L201-L205 HydrophobicContact CG-CD1 3.88Å; L201-L205 HydrophobicContact CG-CG 4.26Å; L201-L205 WeakPolarHBondContact O-CB 3.44Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 2.95Å; S202-L205 CarbonylContact O-C 3.05Å; S202-L205 PolarHBondContact O-N 3.04Å; N203-L205 VanDerWaalsContact C-N 3.34Å; L205-R207 HydrophobicContact CB-CB 4.16Å; L205-R207 PolarHBondContact O-N 2.91Å; L205-I250 HydrophobicContact CD1-CD1 3.55Å
206R98.4Very high94.7Very high21 Ų218.5 Ų8.58%0.0794%0.043CC..THydrogen-bonded Turntrans46.938.9-170.2-61-172.9-69.5175.7-6.1112.4L44 R45 S202 N203 I204 W240 E244 C245 Y246L44-R206 PolarHBondContact O-NH2 3.41Å; R45-R206 PolarHBondContact O-NH2 3.38Å; S202-R206 WeakPolarHBondContact O-CA 3.41Å; S202-R206 PolarHBondContact O-N 2.83Å; N203-R206 PolarHBondContact O-N 3.44Å; I204-R206 VanDerWaalsContact C-N 3.34Å; R206-W240 HydrophobicContact CG-CD2 3.74Å; R206-W240 HydrophobicContact CG-CE3 4.38Å; R206-W240 HydrophobicContact CG-CG 3.84Å; R206-W240 HydrophobicContact CG-CZ2 4.21Å; R206-E244 IonicContact NH1-OE2 2.82Å; R206-C245 CarbonylContact O-C 3.56Å; R206-C245 WeakPolarHBondContact O-CA 3.32Å; R206-C245 WeakPolarHBondContact O-CB 3.21Å; R206-Y246 PolarHBondContact O-N 2.88Å
207R98.8Very high93.1Very high0 Ų011.4 Ų11.40%06%0.061CC..SBendtrans-147.1127.4-170.7-175.5169.5180175-1.6109H48 Y50 T51 S202 L205 Y246 Y248 P249 I250H48-R207 WeakPolarHBondContact O-CD 3.46Å; H48-R207 PolarHBondContact O-NH1 3.38Å; Y50-R207 PolarHBondContact O-NH1 3Å; T51-R207 PolarHBondContact OG1-NH1 3.11Å; T51-R207 PolarHBondContact OG1-NH2 3.36Å; S202-R207 WeakPolarHBondContact CA-O 3.24Å; S202-R207 WeakPolarHBondContact CB-O 3.37Å; S202-R207 PolarHBondContact O-N 3.13Å; S202-R207 VanDerWaalsContact O-N 3.08Å; L205-R207 HydrophobicContact CB-CB 4.16Å; L205-R207 PolarHBondContact O-N 2.91Å; R207-Y246 HydrophobicContact CG-CD1 4.41Å; R207-Y248 WeakPolarHBondContact CG-O 3.12Å; R207-Y248 PolarHBondContact NE-O 2.98Å; R207-P249 PolarHBondContact NH2-O 3.41Å; R207-I250 HydrophobicContact CG-CG1 4.2Å
208P98.9Very high91.6Very high0 Ų015.8 Ų15.80%08%0.077CC..  trans-57.5147.4176.9-25.535.7000112.3Y235 L236 P237 Y246 P249 I250 L309P208-Y235 WeakPolarHBondContact CA-O 3.4Å; P208-L236 HydrophobicContact CB-CD2 4.09Å; P208-L236 HydrophobicContact CG-CD2 4.24Å; P208-P237 HydrophobicContact CG-CG 4.49Å; P208-Y246 WeakPolarHBondContact CD-O 3.37Å; P208-P249 HydrophobicContact CB-CB 4.32Å; P208-P249 CarbonylContact O-C 3.57Å; P208-P249 VanDerWaalsContact O-CA 3.27Å; P208-P249 WeakPolarHBondContact O-CA 3.44Å; P208-I250 PolarHBondContact O-N 2.85Å; P208-L309 HydrophobicContact CB-CD2 3.73Å; P208-L309 HydrophobicContact CG-CD2 3.77Å; P208-L309 HydrophobicContact CG-CG 4.37Å
209I98.9Very high89.6Confident0 Ų017 Ų170%09%0.085CC..EExtended strand (participates in β ladder)trans-117.7133.3171.5-53.3178.1000108.1I198 L201 V211 Y235 I250 L252I198-I209 HydrophobicContact CG2-CB 4.16Å; I198-I209 HydrophobicContact CG2-CD1 3.99Å; I198-I209 HydrophobicContact CG2-CG2 3.93Å; L201-I209 HydrophobicContact CB-CD1 4.27Å; L201-I209 HydrophobicContact CD2-CD1 3.87Å; L201-I209 HydrophobicContact CG-CD1 3.95Å; I209-V211 HydrophobicContact CG2-CG2 4.14Å; I209-Y235 PolarHBondContact N-O 3.37Å; I209-Y235 PolarHBondContact O-N 3.43Å; I209-I250 CarbonylContact C-O 3.53Å; I209-I250 WeakPolarHBondContact CA-O 3.26Å; I209-I250 HydrophobicContact CG1-CB 4.31Å; I209-L252 HydrophobicContact CG2-CD1 3.84Å; I209-L252 HydrophobicContact CG2-CG 4.03Å
210V98.8Very high87.6Confident0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-114.2123.1173178.30000107.6I212 G233 I234 P249 I250 V251 L252 V275 L288V210-I212 HydrophobicContact CG1-CD1 3.96Å; V210-G233 WeakPolarHBondContact CA-O 3.45Å; V210-I234 HydrophobicContact CG2-CG1 4.38Å; V210-I234 HydrophobicContact CG2-CG2 4.45Å; V210-P249 HydrophobicContact CG2-CB 3.78Å; V210-P249 HydrophobicContact CG2-CG 4.23Å; V210-I250 PolarHBondContact N-O 3.25Å; V210-V251 WeakPolarHBondContact O-CA 3.21Å; V210-L252 PolarHBondContact O-N 2.82Å; V210-V275 HydrophobicContact CG1-CG2 4.32Å; V210-L288 HydrophobicContact CG1-CD1 3.94Å
211V98.6Very high85.5Confident1 Ų136.4 Ų36.41%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-110116.3-179.8-174.70000109.5I198 I209 V231 G232 G233 Y235 L252 F259I198-V211 HydrophobicContact CD1-CG2 4.14Å; I198-V211 HydrophobicContact CG2-CG2 4.23Å; I209-V211 HydrophobicContact CG2-CG2 4.14Å; V211-V231 HydrophobicContact CG1-CG1 4.25Å; V211-G232 CarbonylContact O-C 3.6Å; V211-G232 WeakPolarHBondContact O-CA 3.39Å; V211-G233 PolarHBondContact N-O 2.93Å; V211-G233 PolarHBondContact O-N 3.36Å; V211-Y235 HydrophobicContact CB-CE2 4.15Å; V211-Y235 HydrophobicContact CG2-CD2 4Å; V211-Y235 HydrophobicContact CG2-CE2 3.6Å; V211-L252 CarbonylContact C-O 3.52Å; V211-L252 WeakPolarHBondContact CA-O 3.46Å; V211-L252 HydrophobicContact CG2-CB 4.45Å; V211-F259 HydrophobicContact CG1-CE1 4.12Å
212I97.2Very high83.5Confident9 Ų940.2 Ų40.25%0.04620%0.202CC..EExtended strand (participates in β ladder)trans-93.7117.5175.3-53.2-57.1000108.3K86 V210 V251 L252 G253 Y254 L262 V275 L288K86-I212 HydrophobicContact CB-CG2 3.81Å; K86-I212 WeakPolarHBondContact O-CG2 3.36Å; V210-I212 HydrophobicContact CG1-CD1 3.96Å; I212-V251 HydrophobicContact CG1-CG1 4.05Å; I212-L252 PolarHBondContact N-O 3.5Å; I212-G253 CarbonylContact O-C 3.44Å; I212-G253 WeakPolarHBondContact O-CA 3.5Å; I212-Y254 PolarHBondContact O-N 2.82Å; I212-L262 HydrophobicContact CB-CD1 3.84Å; I212-L262 HydrophobicContact CG1-CD1 3.91Å; I212-V275 HydrophobicContact CD1-CG2 4.22Å; I212-L288 HydrophobicContact CD1-CD1 4.47Å
213A93Very high81.7Confident5 Ų542.7 Ų42.74%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-144.9166.5-17800000110.4K86 L229 Y254K86-A213 WeakPolarHBondContact CG-O 3.45Å; A213-L229 HydrophobicContact CB-CD2 4.28Å; A213-Y254 WeakPolarHBondContact CA-O 3.44Å; A213-Y254 HydrophobicContact CB-CD1 4.23Å; A213-Y254 WeakPolarHBondContact CB-O 3.44Å
214D80.4Confident80.3Confident27 Ų2745.6 Ų45.614%0.14425%0.248CC..  trans-66.5156.5160.4-16612.7000110.4V216 R218 L229D214-V216 VanDerWaalsContact C-N 3.33Å; D214-V216 WeakPolarHBondContact OD2-CG2 3.29Å; D214-R218 IonicContact OD1-NH2 3.39Å; D214-R218 PolarHBondContact OD1-NH2 3.42Å; D214-R218 IonicContact OD2-CZ 2.81Å; D214-R218 IonicContact OD2-NE 3.75Å; D214-R218 PolarHBondContact OD2-NE 3.27Å; D214-R218 IonicContact OD2-NH2 2.95Å; D214-R218 PolarHBondContact OD2-NH2 3.01Å; D214-L229 WeakPolarHBondContact O-CD2 3.28Å
215Q72Confident78.9Confident77 Ų7749.1 Ų49.136%0.3627%0.273SS..SBendtrans-84.9-7.1179.1-73.2166.3-59.900112.8P228 L229 D286Q215-P228 WeakPolarHBondContact O-CA 3.33Å; Q215-L229 PolarHBondContact O-N 2.84Å; Q215-D286 PolarHBondContact NE2-OD2 3.18Å
216V68.4Low77.3Confident36 Ų3654.7 Ų54.722%0.21830%0.301CS..EExtended strand (participates in β ladder)trans-139.3143.5-175.8-70.80000112.4D214 R218 S227D214-V216 VanDerWaalsContact C-N 3.33Å; D214-V216 WeakPolarHBondContact OD2-CG2 3.29Å; V216-R218 HydrophobicContact CG2-CG 4.05Å; V216-S227 CarbonylContact C-O 3.47Å; V216-S227 WeakPolarHBondContact CA-O 3.29Å
217V63.1Low75.3Confident60 Ų6055.5 Ų55.536%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-77.1132163.7-177.60000108.2S225 I226 S227 L229V217-S225 CarbonylContact O-C 3.54Å; V217-S225 WeakPolarHBondContact O-CA 3.23Å; V217-I226 PolarHBondContact O-N 3.43Å; V217-S227 PolarHBondContact N-O 3.26Å; V217-L229 HydrophobicContact CG2-CB 4.27Å; V217-L229 HydrophobicContact CG2-CD1 4.41Å
218R67.4Low73.7Confident93 Ų9358.2 Ų58.235%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-113145.7-177.1-59.4-174.6-168.7-149.91.3112.8E84 D214 V216 M220E84-R218 VanDerWaalsContact CD-CZ 3.44Å; E84-R218 VanDerWaalsContact CD-NH1 3.34Å; E84-R218 IonicContact OE1-CZ 3.13Å; E84-R218 IonicContact OE1-NH1 2.74Å; E84-R218 PolarHBondContact OE1-NH1 3.16Å; E84-R218 IonicContact OE1-NH2 3.34Å; E84-R218 PolarHBondContact OE1-NH2 2.71Å; E84-R218 IonicContact OE2-CZ 2.68Å; E84-R218 IonicContact OE2-NH1 3.77Å; E84-R218 PolarHBondContact OE2-NH1 2.7Å; E84-R218 IonicContact OE2-NH2 2.74Å; E84-R218 PolarHBondContact OE2-NH2 2.89Å; D214-R218 IonicContact OD1-NH2 3.39Å; D214-R218 PolarHBondContact OD1-NH2 3.42Å; D214-R218 IonicContact OD2-CZ 2.81Å; D214-R218 IonicContact OD2-NE 3.75Å; D214-R218 PolarHBondContact OD2-NE 3.27Å; D214-R218 IonicContact OD2-NH2 2.95Å; D214-R218 PolarHBondContact OD2-NH2 3.01Å; V216-R218 HydrophobicContact CG2-CG 4.05Å; R218-M220 PolarHBondContact O-N 3.09Å
219S55.7Low72.5Confident24 Ų2459.7 Ų59.717%0.16834%0.336CS..  trans-70.9116.4176.7170.60000111.7K221 S222 G223 S224S219-K221 PolarHBondContact O-N 2.95Å; S219-K221 PolarHBondContact OG-N 3.16Å; S219-S222 WeakPolarHBondContact CB-OG 3.48Å; S219-S222 PolarHBondContact O-N 3.24Å; S219-S222 VanDerWaalsContact O-N 3.15Å; S219-S222 PolarHBondContact OG-N 3.08Å; S219-S222 PolarHBondContact OG-OG 3.12Å; S219-G223 WeakPolarHBondContact O-CA 3.24Å; S219-G223 PolarHBondContact O-N 2.94Å; S219-S224 WeakPolarHBondContact CB-O 3.45Å; S219-S224 PolarHBondContact N-O 3.08Å
220M58.3Low71.6Confident201 Ų20162.7 Ų62.799%0.9935%0.352SS*.THydrogen-bonded Turntrans-59.5-12.8171.8-68.2-170.4-75.500114.1R218R218-M220 PolarHBondContact O-N 3.09Å
221K53.4Low71.3Confident208 Ų20863.6 Ų63.690%0.90436%0.357SS*.THydrogen-bonded Turntrans-97.8-19.7177.9-67.2-174.7178.6-179.70114.4S219S219-K221 PolarHBondContact O-N 2.95Å; S219-K221 PolarHBondContact OG-N 3.16Å
222S58.4Low71.1Confident80 Ų8064.6 Ų64.656%0.55937%0.367SS*.THydrogen-bonded Turntrans-144.4-2.7-16853.90000115.1S219 S224S219-S222 WeakPolarHBondContact CB-OG 3.48Å; S219-S222 PolarHBondContact O-N 3.24Å; S219-S222 VanDerWaalsContact O-N 3.15Å; S219-S222 PolarHBondContact OG-N 3.08Å; S219-S222 PolarHBondContact OG-OG 3.12Å; S222-S224 PolarHBondContact O-N 3.17Å; S222-S224 PolarHBondContact OG-OG 3.34Å
223G61Low71Confident52 Ų5264.1 Ų64.154%0.53637%0.365SS..  trans67.7-14.6-176.700000115.3S219S219-G223 WeakPolarHBondContact O-CA 3.24Å; S219-G223 PolarHBondContact O-N 2.94Å
224S67.4Low71.3Confident61 Ų6164 Ų6443%0.42736%0.364SS..  trans-65.3139.3-178.857.80000112.6S219 S222S219-S224 WeakPolarHBondContact CB-O 3.45Å; S219-S224 PolarHBondContact N-O 3.08Å; S222-S224 PolarHBondContact O-N 3.17Å; S222-S224 PolarHBondContact OG-OG 3.34Å
225S70.3Confident72.2Confident76 Ų7662.7 Ų62.753%0.53136%0.357SS..EExtended strand (participates in β ladder)trans-56.2139.7168.8-450000111.3V217V217-S225 CarbonylContact O-C 3.54Å; V217-S225 WeakPolarHBondContact O-CA 3.23Å
226I63.6Low73.4Confident117 Ų11759.1 Ų59.160%0.634%0.34SS*.EExtended strand (participates in β ladder)trans-108.5-54.6178.6-62.9173.1000109.9V217V217-I226 PolarHBondContact O-N 3.43Å
227S57.9Low74.9Confident38 Ų3857.4 Ų57.427%0.26633%0.33SS..EExtended strand (participates in β ladder)trans-147158.4-176.158.90000110.5V216 V217V216-S227 CarbonylContact C-O 3.47Å; V216-S227 WeakPolarHBondContact CA-O 3.29Å; V217-S227 PolarHBondContact N-O 3.26Å
228P64.3Low76.5Confident57 Ų5755.6 Ų55.637%0.3732%0.318SS..EExtended strand (participates in β ladder)trans-62144.9168.527.9-35.8000111.2E155 Q215E155-P228 HydrophobicContact CG-CG 4.43Å; E155-P228 WeakPolarHBondContact OE1-CD 3.31Å; Q215-P228 WeakPolarHBondContact O-CA 3.33Å
229L73.3Confident77.9Confident32 Ų3254.2 Ų54.217%0.16832%0.315CS..  trans-101.995.7174.5177.853000110.3A213 D214 Q215 V217 V231 Y254A213-L229 HydrophobicContact CB-CD2 4.28Å; D214-L229 WeakPolarHBondContact O-CD2 3.28Å; Q215-L229 PolarHBondContact O-N 2.84Å; V217-L229 HydrophobicContact CG2-CB 4.27Å; V217-L229 HydrophobicContact CG2-CD1 4.41Å; L229-V231 HydrophobicContact CD1-CB 4.05Å; L229-V231 HydrophobicContact CD1-CG2 3.79Å; L229-V231 HydrophobicContact CG-CB 4.44Å; L229-V231 PolarHBondContact O-N 3.23Å; L229-Y254 HydrophobicContact CD1-CE1 3.81Å; L229-Y254 HydrophobicContact CD2-CD1 3.93Å; L229-Y254 HydrophobicContact CD2-CE1 3.76Å; L229-Y254 HydrophobicContact CG-CE1 4.3Å
230N81.4Confident79.8Confident63 Ų6353.8 Ų53.834%0.33731%0.31SS..THydrogen-bonded Turntrans-75.515.5-173.9-66.5-39.2000115.1H291N230-H291 PolarHBondContact O-CE1 3.05Å
231V91.2Very high81.6Confident18 Ų1846.9 Ų46.911%0.10928%0.28CS..THydrogen-bonded Turntrans-95.2-25.4-175.9179.40000113I198 V211 L229 Y235 Y254 F259I198-V231 HydrophobicContact CD1-CG1 3.98Å; V211-V231 HydrophobicContact CG1-CG1 4.25Å; L229-V231 HydrophobicContact CD1-CB 4.05Å; L229-V231 HydrophobicContact CD1-CG2 3.79Å; L229-V231 HydrophobicContact CG-CB 4.44Å; L229-V231 PolarHBondContact O-N 3.23Å; V231-Y235 PolarHBondContact O-OH 2.88Å; V231-Y254 HydrophobicContact CB-CD1 4.36Å; V231-Y254 HydrophobicContact CB-CE1 4.34Å; V231-Y254 HydrophobicContact CG1-CD1 4.17Å; V231-Y254 HydrophobicContact CG1-CD2 4.24Å; V231-Y254 HydrophobicContact CG1-CE1 4.38Å; V231-Y254 HydrophobicContact CG1-CE2 4.42Å; V231-Y254 HydrophobicContact CG1-CG 4.07Å; V231-Y254 HydrophobicContact CG2-CE1 4.43Å; V231-F259 HydrophobicContact CG1-CE1 4Å; V231-F259 HydrophobicContact CG1-CZ 3.77Å
232G94.4Very high83.7Confident22 Ų2238.5 Ų38.523%0.22725%0.247CC..  trans-81.2121.9-177.700000113.5V211V211-G232 CarbonylContact O-C 3.6Å; V211-G232 WeakPolarHBondContact O-CA 3.39Å
233G96.5Very high85.6Confident0 Ų040.8 Ų40.80%026%0.258CS..EExtended strand (participates in β ladder)trans163.4-161.4-178.300000114.5V210 V211 K289V210-G233 WeakPolarHBondContact CA-O 3.45Å; V211-G233 PolarHBondContact N-O 2.93Å; V211-G233 PolarHBondContact O-N 3.36Å; G233-K289 CarbonylContact C-O 3.42Å; G233-K289 VanDerWaalsContact CA-O 3.26Å; G233-K289 WeakPolarHBondContact CA-O 3.13Å
234I98.6Very high87.3Confident2 Ų242.2 Ų42.21%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-113.7127.8-175.2-52.6172.8000109.8V210 L236 L277 L288 K289 V290 H291 L305 L309V210-I234 HydrophobicContact CG2-CG1 4.38Å; V210-I234 HydrophobicContact CG2-CG2 4.45Å; I234-L236 HydrophobicContact CG2-CD2 3.71Å; I234-L236 HydrophobicContact CG2-CG 4.24Å; I234-L277 HydrophobicContact CD1-CB 4.22Å; I234-L277 HydrophobicContact CD1-CD1 4.13Å; I234-L277 HydrophobicContact CD1-CD2 3.87Å; I234-L277 HydrophobicContact CD1-CG 4.29Å; I234-L288 HydrophobicContact CD1-CB 3.95Å; I234-L288 HydrophobicContact CD1-CD1 4.39Å; I234-L288 HydrophobicContact CG1-CB 3.87Å; I234-L288 HydrophobicContact CG1-CD1 4.06Å; I234-K289 PolarHBondContact N-O 3.13Å; I234-V290 HydrophobicContact CB-CG2 4.25Å; I234-V290 HydrophobicContact CD1-CG2 4.21Å; I234-V290 WeakPolarHBondContact O-CA 3.47Å; I234-H291 PolarHBondContact O-N 2.93Å; I234-L305 HydrophobicContact CD1-CD2 3.84Å; I234-L305 HydrophobicContact CG2-CD2 4.15Å; I234-L309 HydrophobicContact CG2-CD1 4.35Å
235Y98.8Very high88.8Confident0 Ų039.9 Ų39.90%023%0.234CC..EExtended strand (participates in β ladder)trans-117.699-176.7-61.6-96.9000109.9D195 I198 F199 S202 P208 I209 V211 V231 H291 F292D195-Y235 HydrophobicContact CB-CE1 4.06Å; D195-Y235 WeakPolarHBondContact CB-OH 3.46Å; D195-Y235 WeakPolarHBondContact O-CE1 3.42Å; I198-Y235 HydrophobicContact CB-CD1 3.9Å; I198-Y235 HydrophobicContact CB-CD2 4.46Å; I198-Y235 HydrophobicContact CB-CE1 3.85Å; I198-Y235 HydrophobicContact CB-CE2 4.44Å; I198-Y235 HydrophobicContact CB-CG 4.2Å; I198-Y235 HydrophobicContact CD1-CE1 4.38Å; I198-Y235 HydrophobicContact CD1-CE2 4.24Å; I198-Y235 HydrophobicContact CG2-CD1 4.02Å; I198-Y235 HydrophobicContact CG2-CD2 3.79Å; I198-Y235 HydrophobicContact CG2-CE1 4.24Å; I198-Y235 HydrophobicContact CG2-CE2 4.04Å; I198-Y235 HydrophobicContact CG2-CG 3.78Å; F199-Y235 HydrophobicContact CB-CD1 4.07Å; S202-Y235 WeakPolarHBondContact CB-O 3.47Å; S202-Y235 PolarHBondContact OG-O 3.13Å; P208-Y235 WeakPolarHBondContact CA-O 3.4Å; I209-Y235 PolarHBondContact N-O 3.37Å; I209-Y235 PolarHBondContact O-N 3.43Å; V211-Y235 HydrophobicContact CB-CE2 4.15Å; V211-Y235 HydrophobicContact CG2-CD2 4Å; V211-Y235 HydrophobicContact CG2-CE2 3.6Å; V231-Y235 PolarHBondContact O-OH 2.88Å; Y235-H291 HydrophobicContact CD1-CB 3.75Å; Y235-H291 AromaticContact CD1-CG 3.98Å; Y235-H291 HydrophobicContact CE1-CB 3.71Å; Y235-H291 AromaticContact CE1-CD2 3.87Å; Y235-H291 AromaticContact CE1-CG 3.5Å; Y235-H291 VanDerWaalsContact CE1-CG 3.5Å; Y235-H291 AromaticContact CE1-ND1 3.79Å; Y235-H291 AromaticContact CE2-CD2 3.79Å; Y235-H291 HydrophobicContact CG-CB 4.42Å; Y235-H291 AromaticContact CZ-CD2 3.59Å; Y235-H291 AromaticContact CZ-CE1 3.84Å; Y235-H291 AromaticContact CZ-CG 3.67Å; Y235-H291 AromaticContact CZ-ND1 3.84Å; Y235-H291 AromaticContact CZ-NE2 3.74Å; Y235-H291 PolarHBondContact OH-CE1 3.19Å; Y235-F292 HydrophobicContact CD1-CD2 4.43Å; Y235-F292 HydrophobicContact CD1-CE2 4.36Å; Y235-F292 HydrophobicContact CE1-CD2 4.5Å; Y235-F292 HydrophobicContact CE1-CE2 4.04Å
236L98.8Very high90.1Very high1 Ų138.1 Ų38.11%0.00522%0.216CC..  trans-85.4146.3-177.1-58.7-176.5000112.1F199 S202 P208 I234 L238 V290 L304 L305 Y308 L309F199-L236 WeakPolarHBondContact CE2-O 3.4Å; S202-L236 PolarHBondContact OG-O 2.85Å; P208-L236 HydrophobicContact CB-CD2 4.09Å; P208-L236 HydrophobicContact CG-CD2 4.24Å; I234-L236 HydrophobicContact CG2-CD2 3.71Å; I234-L236 HydrophobicContact CG2-CG 4.24Å; L236-L238 HydrophobicContact CB-CD2 3.72Å; L236-L238 HydrophobicContact CB-CG 3.89Å; L236-L238 HydrophobicContact CD1-CD2 4.28Å; L236-L238 PolarHBondContact O-N 3.29Å; L236-V290 HydrophobicContact CD1-CG1 4.06Å; L236-V290 HydrophobicContact CG-CG1 4.23Å; L236-L304 HydrophobicContact CD1-CB 4.04Å; L236-L305 HydrophobicContact CD1-CD2 4.41Å; L236-Y308 HydrophobicContact CB-CD2 4.5Å; L236-Y308 HydrophobicContact CD1-CD2 4.05Å; L236-L309 HydrophobicContact CD2-CD1 4.44Å
237P98.3Very high91.8Very high0 Ų035.2 Ų35.20%020%0.199CC..  trans-80.359.7179.933.8-37000112.6S202 N203 P208 H239 W240 C245 Y308S202-P237 WeakPolarHBondContact O-CB 3.44Å; N203-P237 WeakPolarHBondContact OD1-CA 3.29Å; N203-P237 PolarHBondContact OD1-O 2.95Å; P208-P237 HydrophobicContact CG-CG 4.49Å; P237-H239 PolarHBondContact O-N 2.87Å; P237-W240 PolarHBondContact O-N 3.06Å; P237-W240 VanDerWaalsContact O-N 3.07Å; P237-C245 HydrophobicContact CG-CB 4.02Å; P237-C245 WeakPolarHBondContact CG-SG 3.4Å; P237-Y308 HydrophobicContact CG-CD1 3.69Å; P237-Y308 HydrophobicContact CG-CE1 3.88Å
238L97.7Very high93.7Very high22 Ų2236.5 Ų36.512%0.11520%0.199CC..THydrogen-bonded Turntrans-66.7-1.9-167.8-58.3174.2000116.9F199 N203 L236 W240 L293 L304 Y308F199-L238 HydrophobicContact CE2-CB 4.36Å; F199-L238 HydrophobicContact CE2-CD1 4Å; F199-L238 HydrophobicContact CE2-CG 4.19Å; F199-L238 HydrophobicContact CZ-CB 4.18Å; F199-L238 HydrophobicContact CZ-CD1 4.24Å; F199-L238 HydrophobicContact CZ-CG 4.46Å; N203-L238 PolarHBondContact OD1-N 3.33Å; N203-L238 VanDerWaalsContact OD1-N 3.1Å; L236-L238 HydrophobicContact CB-CD2 3.72Å; L236-L238 HydrophobicContact CB-CG 3.89Å; L236-L238 HydrophobicContact CD1-CD2 4.28Å; L236-L238 PolarHBondContact O-N 3.29Å; L238-W240 VanDerWaalsContact C-N 3.33Å; L238-L293 HydrophobicContact CD1-CD2 3.76Å; L238-L304 HydrophobicContact CD2-CD2 4.44Å; L238-Y308 HydrophobicContact CD2-CD2 4.31Å; L238-Y308 HydrophobicContact CD2-CE2 3.6Å
239H95.5Very high95.4Very high65 Ų6533.8 Ų33.830%0.30118%0.181SC..THydrogen-bonded Turntrans-86.9-3.7170.3-67.176.5000113.1M41 V141 F142 F199 N203 P237M41-H239 HydrophobicContact SD-CB 4.25Å; V141-H239 WeakPolarHBondContact CB-NE2 3.33Å; V141-H239 VanDerWaalsContact CG1-NE2 3.26Å; V141-H239 WeakPolarHBondContact CG1-NE2 3.46Å; F142-H239 AromaticContact CD1-CE1 3.49Å; F142-H239 VanDerWaalsContact CD1-CE1 3.49Å; F142-H239 WeakPolarHBondContact CD1-CE1 3.47Å; F142-H239 AromaticContact CE1-CE1 3.16Å; F142-H239 WeakPolarHBondContact CE1-CE1 3.47Å; F142-H239 AromaticContact CE1-ND1 3.5Å; F142-H239 AromaticContact CE1-NE2 3.93Å; F142-H239 AromaticContact CE2-CE1 3.97Å; F142-H239 AromaticContact CE2-NE2 3.93Å; F142-H239 AromaticContact CZ-CE1 3.43Å; F142-H239 VanDerWaalsContact CZ-CE1 3.43Å; F142-H239 WeakPolarHBondContact CZ-CE1 3.37Å; F142-H239 AromaticContact CZ-ND1 3.59Å; F142-H239 AromaticContact CZ-NE2 3.83Å; F199-H239 AromaticContact CE1-CE1 3.86Å; N203-H239 VanDerWaalsContact OD1-CB 3.3Å; N203-H239 WeakPolarHBondContact OD1-CB 3.33Å; N203-H239 PolarHBondContact OD1-N 2.91Å; N203-H239 PolarHBondContact OD1-ND1 3.37Å; P237-H239 PolarHBondContact O-N 2.87Å
240W96.3Very high96.6Very high14 Ų1432.2 Ų32.25%0.05317%0.173CC..SBendtrans-124.1142.5-177-66.190.4000110.7L40 M41 H43 N203 R206 P237 L238 E244 C245 Y308L40-W240 HydrophobicContact CD2-CH2 3.73Å; L40-W240 HydrophobicContact CD2-CZ3 4.02Å; L40-W240 HydrophobicContact CG-CH2 4Å; L40-W240 HydrophobicContact CG-CZ3 4.41Å; M41-W240 HydrophobicContact CG-CZ2 4.1Å; H43-W240 HydrophobicContact CB-CH2 4.41Å; H43-W240 HydrophobicContact CB-CZ2 3.79Å; H43-W240 AromaticContact CE1-CH2 3.65Å; H43-W240 AromaticContact CG-CH2 3.75Å; H43-W240 AromaticContact CG-CZ2 3.6Å; H43-W240 AromaticContact ND1-CH2 3.5Å; H43-W240 WeakPolarHBondContact ND1-CH2 3.43Å; H43-W240 AromaticContact ND1-CZ2 3.54Å; N203-W240 PolarHBondContact O-NE1 3.13Å; R206-W240 HydrophobicContact CG-CD2 3.74Å; R206-W240 HydrophobicContact CG-CE3 4.38Å; R206-W240 HydrophobicContact CG-CG 3.84Å; R206-W240 HydrophobicContact CG-CZ2 4.21Å; P237-W240 PolarHBondContact O-N 3.06Å; P237-W240 VanDerWaalsContact O-N 3.07Å; L238-W240 VanDerWaalsContact C-N 3.33Å; W240-E244 HydrophobicContact CE3-CB 4.37Å; W240-E244 WeakPolarHBondContact CZ3-OE2 3.36Å; W240-C245 VanDerWaalsContact CB-SG 3.55Å; W240-Y308 PolarHBondContact O-OH 3.15Å
241P96.9Very high97.4Very high57 Ų5729.2 Ų29.237%0.3716%0.157SC..  trans-62.5144.5172.828.4-34.2000109.9T243 E244P241-T243 PolarHBondContact O-N 2.94Å; P241-E244 HydrophobicContact CG-CB 4.19Å; P241-E244 HydrophobicContact CG-CG 3.93Å; P241-E244 VanDerWaalsContact CG-OE1 3.29Å; P241-E244 WeakPolarHBondContact CG-OE1 3.32Å; P241-E244 PolarHBondContact O-N 3.49Å
242P97.9Very high97.8Very high31 Ų3128.4 Ų28.420%0.20115%0.152CC..THydrogen-bonded Turntrans-61.2-14.9-175.6-17.124.4000115K247 D307 Y308P242-K247 VanDerWaalsContact O-CE 3.27Å; P242-K247 WeakPolarHBondContact O-CE 3.4Å; P242-D307 HydrophobicContact CB-CB 4.06Å; P242-D307 VanDerWaalsContact CB-O 3.24Å; P242-D307 WeakPolarHBondContact CB-O 3.27Å; P242-D307 HydrophobicContact CG-CB 3.84Å; P242-Y308 HydrophobicContact CB-CD1 4.06Å; P242-Y308 HydrophobicContact CB-CE1 4.07Å; P242-Y308 HydrophobicContact CB-CG 4.3Å; P242-Y308 HydrophobicContact CG-CD1 4.36Å; P242-Y308 HydrophobicContact CG-CD2 4.26Å; P242-Y308 HydrophobicContact CG-CE1 3.98Å; P242-Y308 HydrophobicContact CG-CE2 3.86Å; P242-Y308 HydrophobicContact CG-CG 4.5Å
243T97.5Very high98Very high128 Ų12827.3 Ų27.379%0.78514%0.141SC*.THydrogen-bonded Turntrans-75.4-22.717445.20000114P241P241-T243 PolarHBondContact O-N 2.94Å
244E96.9Very high98Very high82 Ų8228.8 Ų28.838%0.38315%0.147SC..THydrogen-bonded Turntrans-94-7.5176.4-72.8-171.7-11900113.3R206 W240 P241R206-E244 IonicContact NH1-OE2 2.82Å; W240-E244 HydrophobicContact CE3-CB 4.37Å; W240-E244 WeakPolarHBondContact CZ3-OE2 3.36Å; P241-E244 HydrophobicContact CG-CB 4.19Å; P241-E244 HydrophobicContact CG-CG 3.93Å; P241-E244 VanDerWaalsContact CG-OE1 3.29Å; P241-E244 WeakPolarHBondContact CG-OE1 3.32Å; P241-E244 PolarHBondContact O-N 3.49Å
245C98.5Very high97.6Very high13 Ų1330.5 Ų30.59%0.08816%0.156CC..SBendtrans-94.4149.7-176-66.40000112.7R206 P237 W240 Y308R206-C245 CarbonylContact O-C 3.56Å; R206-C245 WeakPolarHBondContact O-CA 3.32Å; R206-C245 WeakPolarHBondContact O-CB 3.21Å; P237-C245 HydrophobicContact CG-CB 4.02Å; P237-C245 WeakPolarHBondContact CG-SG 3.4Å; W240-C245 VanDerWaalsContact CB-SG 3.55Å; C245-Y308 HydrophobicContact CB-CD1 4.25Å
246Y98.6Very high97Very high39 Ų3935.5 Ų35.515%0.15319%0.191CC..  trans-88114.4172.7-164.5-113.6000110.2R49 R206 R207 P208 Y248 D333R49-Y246 HydrophobicContact CB-CD1 4.47Å; R49-Y246 HydrophobicContact CB-CD2 4.04Å; R49-Y246 HydrophobicContact CB-CE1 4.45Å; R49-Y246 HydrophobicContact CB-CE2 4.05Å; R49-Y246 HydrophobicContact CB-CG 4.26Å; R49-Y246 HydrophobicContact CG-CD2 3.71Å; R49-Y246 HydrophobicContact CG-CE2 4.18Å; R49-Y246 HydrophobicContact CG-CG 3.96Å; R206-Y246 PolarHBondContact O-N 2.88Å; R207-Y246 HydrophobicContact CG-CD1 4.41Å; P208-Y246 WeakPolarHBondContact CD-O 3.37Å; Y246-Y248 VanDerWaalsContact C-N 3.3Å; Y246-Y248 HydrophobicContact CD1-CD2 4.46Å; Y246-Y248 AromaticContact CE1-CD2 3.84Å; Y246-Y248 HydrophobicContact CE1-CD2 3.84Å; Y246-Y248 HydrophobicContact CE1-CG 4.3Å; Y246-Y248 HydrophobicContact CE2-CD2 4.18Å; Y246-Y248 AromaticContact CZ-CD2 3.67Å; Y246-Y248 PolarHBondContact O-N 3.23Å; Y246-D333 VanDerWaalsContact OH-CG 3.23Å; Y246-D333 PolarHBondContact OH-OD1 2.91Å; Y246-D333 PolarHBondContact OH-OD2 3.05Å; Y246-D333 VanDerWaalsContact OH-OD2 3.06Å
247K98.5Very high96.5Very high55 Ų5542.7 Ų42.724%0.23922%0.224CC..  trans-83.57-164.9-57.2-164.2-175-161.90116.3P242 D307 Y308 L309 H310P242-K247 VanDerWaalsContact O-CE 3.27Å; P242-K247 WeakPolarHBondContact O-CE 3.4Å; K247-D307 WeakPolarHBondContact CE-O 3.28Å; K247-D307 PolarHBondContact NZ-O 3.13Å; K247-Y308 WeakPolarHBondContact CA-O 3.11Å; K247-Y308 WeakPolarHBondContact CB-O 3.38Å; K247-L309 WeakPolarHBondContact O-CA 3.5Å; K247-H310 PolarHBondContact O-N 3.3Å
248Y98.7Very high96.2Very high65 Ų6544.1 Ų44.126%0.25523%0.231SC..SBendtrans-100.2122.6170.2-62.1-89.6000108.3R207 Y246 H310 K331 L332 D333R207-Y248 WeakPolarHBondContact CG-O 3.12Å; R207-Y248 PolarHBondContact NE-O 2.98Å; Y246-Y248 VanDerWaalsContact C-N 3.3Å; Y246-Y248 HydrophobicContact CD1-CD2 4.46Å; Y246-Y248 AromaticContact CE1-CD2 3.84Å; Y246-Y248 HydrophobicContact CE1-CD2 3.84Å; Y246-Y248 HydrophobicContact CE1-CG 4.3Å; Y246-Y248 HydrophobicContact CE2-CD2 4.18Å; Y246-Y248 AromaticContact CZ-CD2 3.67Å; Y246-Y248 PolarHBondContact O-N 3.23Å; Y248-H310 AromaticContact CE2-CD2 3.75Å; Y248-H310 AromaticContact CZ-CD2 3.77Å; Y248-K331 HydrophobicContact CD1-CB 4.28Å; Y248-K331 WeakPolarHBondContact CD1-O 3.28Å; Y248-K331 HydrophobicContact CE1-CB 4.06Å; Y248-L332 VanDerWaalsContact CD1-C 3.5Å; Y248-D333 HydrophobicContact CD1-CB 3.94Å; Y248-D333 HydrophobicContact CD2-CB 4.33Å; Y248-D333 HydrophobicContact CG-CB 3.77Å
249P98.8Very high96.2Very high0 Ų043.4 Ų43.40%023%0.227CC..PPolyproline II helixtrans-69.1163.8-173.428.4-33.4000112.4R207 P208 V210 V251 V275 L309 A330 K331 L332R207-P249 PolarHBondContact NH2-O 3.41Å; P208-P249 HydrophobicContact CB-CB 4.32Å; P208-P249 CarbonylContact O-C 3.57Å; P208-P249 VanDerWaalsContact O-CA 3.27Å; P208-P249 WeakPolarHBondContact O-CA 3.44Å; V210-P249 HydrophobicContact CG2-CB 3.78Å; V210-P249 HydrophobicContact CG2-CG 4.23Å; P249-V251 HydrophobicContact CG-CG2 4.47Å; P249-V275 HydrophobicContact CG-CG1 4.21Å; P249-L309 HydrophobicContact CB-CD2 4.01Å; P249-L309 HydrophobicContact CG-CD2 4.08Å; P249-A330 HydrophobicContact CG-CB 4.4Å; P249-K331 WeakPolarHBondContact CD-O 3.29Å; P249-L332 HydrophobicContact CG-CD2 3.68Å
250I98.9Very high96.3Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-87.5131.7154.7-66.2175.9000106.7Y115 M116 L205 R207 P208 I209 V210 L252Y115-I250 HydrophobicContact CD1-CB 4.14Å; Y115-I250 HydrophobicContact CD1-CG1 3.92Å; Y115-I250 HydrophobicContact CD1-CG2 3.95Å; Y115-I250 HydrophobicContact CD2-CG2 4.15Å; Y115-I250 HydrophobicContact CE1-CB 4.4Å; Y115-I250 HydrophobicContact CE1-CG1 4.32Å; Y115-I250 HydrophobicContact CG-CB 4.43Å; Y115-I250 HydrophobicContact CG-CG2 3.74Å; M116-I250 HydrophobicContact CE-CD1 4.27Å; M116-I250 HydrophobicContact CG-CD1 3.85Å; M116-I250 HydrophobicContact CG-CG1 4.39Å; M116-I250 HydrophobicContact SD-CD1 3.77Å; L205-I250 HydrophobicContact CD1-CD1 3.55Å; R207-I250 HydrophobicContact CG-CG1 4.2Å; P208-I250 PolarHBondContact O-N 2.85Å; I209-I250 CarbonylContact C-O 3.53Å; I209-I250 WeakPolarHBondContact CA-O 3.26Å; I209-I250 HydrophobicContact CG1-CB 4.31Å; V210-I250 PolarHBondContact N-O 3.25Å; I250-L252 HydrophobicContact CG2-CD2 3.7Å; I250-L252 HydrophobicContact CG2-CG 4.05Å
251V98.9Very high96.4Very high0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-108.7121.6177-1660000109.9M96 Y115 V210 I212 P249 L262 V275 L332M96-V251 HydrophobicContact SD-CB 4.3Å; M96-V251 HydrophobicContact SD-CG1 4Å; M96-V251 HydrophobicContact SD-CG2 4.33Å; Y115-V251 VanDerWaalsContact CD2-O 3.29Å; Y115-V251 WeakPolarHBondContact CD2-O 3.29Å; Y115-V251 HydrophobicContact CE2-CB 4Å; Y115-V251 HydrophobicContact CE2-CG2 4.41Å; Y115-V251 VanDerWaalsContact CE2-N 3.25Å; Y115-V251 WeakPolarHBondContact CE2-O 3.37Å; V210-V251 WeakPolarHBondContact O-CA 3.21Å; I212-V251 HydrophobicContact CG1-CG1 4.05Å; P249-V251 HydrophobicContact CG-CG2 4.47Å; V251-L262 HydrophobicContact CB-CB 4.25Å; V251-L262 HydrophobicContact CG1-CB 3.95Å; V251-L262 HydrophobicContact CG1-CD1 4.09Å; V251-L262 PolarHBondContact O-N 2.83Å; V251-V275 HydrophobicContact CG1-CG2 4.33Å; V251-V275 HydrophobicContact CG2-CB 4.4Å; V251-V275 HydrophobicContact CG2-CG1 4.26Å; V251-L332 HydrophobicContact CG2-CD1 4.28Å; V251-L332 HydrophobicContact CG2-CD2 3.5Å
252L98.8Very high96.5Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-116.2140.3178.5-54.8-176.6000110L108 A111 I209 V210 V211 I212 I250 F259 A260 P261L108-L252 HydrophobicContact CD1-CD1 3.75Å; A111-L252 HydrophobicContact CB-CD2 3.89Å; I209-L252 HydrophobicContact CG2-CD1 3.84Å; I209-L252 HydrophobicContact CG2-CG 4.03Å; V210-L252 PolarHBondContact O-N 2.82Å; V211-L252 CarbonylContact C-O 3.52Å; V211-L252 WeakPolarHBondContact CA-O 3.46Å; V211-L252 HydrophobicContact CG2-CB 4.45Å; I212-L252 PolarHBondContact N-O 3.5Å; I250-L252 HydrophobicContact CG2-CD2 3.7Å; I250-L252 HydrophobicContact CG2-CG 4.05Å; L252-F259 HydrophobicContact CB-CD1 4.45Å; L252-F259 HydrophobicContact CD1-CD1 4.24Å; L252-A260 CarbonylContact C-O 3.59Å; L252-A260 WeakPolarHBondContact CA-O 3.21Å; L252-P261 HydrophobicContact CD2-CB 4.47Å
253G98.1Very high96.5Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-91.6142163.400000109.4I212 F259 A260I212-G253 CarbonylContact O-C 3.44Å; I212-G253 WeakPolarHBondContact O-CA 3.5Å; G253-F259 WeakPolarHBondContact O-CA 3.48Å; G253-A260 PolarHBondContact N-O 3.18Å; G253-A260 PolarHBondContact O-N 3.43Å
254Y96.6Very high96.4Very high31 Ų3129.4 Ų29.412%0.12215%0.146CC..EExtended strand (participates in β ladder)trans-133122.3171.4178.7-88.4000110.9I212 A213 L229 V231 H258 F259I212-Y254 PolarHBondContact O-N 2.82Å; A213-Y254 WeakPolarHBondContact CA-O 3.44Å; A213-Y254 HydrophobicContact CB-CD1 4.23Å; A213-Y254 WeakPolarHBondContact CB-O 3.44Å; L229-Y254 HydrophobicContact CD1-CE1 3.81Å; L229-Y254 HydrophobicContact CD2-CD1 3.93Å; L229-Y254 HydrophobicContact CD2-CE1 3.76Å; L229-Y254 HydrophobicContact CG-CE1 4.3Å; V231-Y254 HydrophobicContact CB-CD1 4.36Å; V231-Y254 HydrophobicContact CB-CE1 4.34Å; V231-Y254 HydrophobicContact CG1-CD1 4.17Å; V231-Y254 HydrophobicContact CG1-CD2 4.24Å; V231-Y254 HydrophobicContact CG1-CE1 4.38Å; V231-Y254 HydrophobicContact CG1-CE2 4.42Å; V231-Y254 HydrophobicContact CG1-CG 4.07Å; V231-Y254 HydrophobicContact CG2-CE1 4.43Å; Y254-H258 WeakPolarHBondContact CA-O 3.35Å; Y254-F259 AromaticContact CD2-CD1 3.71Å; Y254-F259 HydrophobicContact CD2-CD1 3.71Å; Y254-F259 AromaticContact CD2-CD2 3.78Å; Y254-F259 HydrophobicContact CD2-CD2 3.78Å; Y254-F259 AromaticContact CD2-CE1 3.48Å; Y254-F259 HydrophobicContact CD2-CE1 3.48Å; Y254-F259 VanDerWaalsContact CD2-CE1 3.48Å; Y254-F259 AromaticContact CD2-CE2 3.56Å; Y254-F259 HydrophobicContact CD2-CE2 3.56Å; Y254-F259 AromaticContact CD2-CG 3.84Å; Y254-F259 HydrophobicContact CD2-CG 3.84Å; Y254-F259 AromaticContact CD2-CZ 3.4Å; Y254-F259 HydrophobicContact CD2-CZ 3.4Å; Y254-F259 VanDerWaalsContact CD2-CZ 3.4Å; Y254-F259 HydrophobicContact CE2-CD2 4.09Å; Y254-F259 HydrophobicContact CE2-CE1 4.3Å; Y254-F259 AromaticContact CE2-CE2 3.64Å; Y254-F259 HydrophobicContact CE2-CE2 3.64Å; Y254-F259 AromaticContact CE2-CZ 3.75Å; Y254-F259 HydrophobicContact CE2-CZ 3.75Å; Y254-F259 HydrophobicContact CG-CD1 4.32Å; Y254-F259 HydrophobicContact CG-CE1 4.05Å; Y254-F259 HydrophobicContact CG-CZ 4.28Å
255D90.8Very high96.2Very high38 Ų3826.3 Ų26.320%0.20313%0.132CC..EExtended strand (participates in β ladder)trans-146.6146.5174.6-1796.8000108.2M77 S80 Q257 H258M77-D255 HydrophobicContact CE-CB 4.34Å; M77-D255 HydrophobicContact CG-CB 3.95Å; S80-D255 WeakPolarHBondContact CB-OD2 3.36Å; S80-D255 PolarHBondContact OG-OD2 2.91Å; D255-Q257 PolarHBondContact O-N 2.88Å; D255-H258 PolarHBondContact N-O 2.91Å; D255-H258 WeakPolarHBondContact O-CB 3.24Å; D255-H258 PolarHBondContact O-N 3.31Å
256S86.3Confident95.7Very high104 Ų10431.4 Ų31.473%0.72715%0.153SC*.THydrogen-bonded Turntrans53.336.9166.9-630000114.5H258S256-H258 VanDerWaalsContact C-N 3.28Å; S256-H258 PolarHBondContact O-N 2.93Å
257Q87.4Confident95Very high152 Ų15231.8 Ų31.871%0.7116%0.158SC*.THydrogen-bonded Turntrans64.324.2-175.9-60.3171.677.100114.9D255D255-Q257 PolarHBondContact O-N 2.88Å
258H92.4Very high94Very high31 Ų3135 Ų3514%0.14419%0.187CC..EExtended strand (participates in β ladder)trans-123.9134.2178.3-16949.7000111.8M77 T101 C107 Y254 D255 S256M77-H258 HydrophobicContact CE-CB 4.33Å; M77-H258 WeakPolarHBondContact CE-O 3.21Å; T101-H258 PolarHBondContact O-CE1 3.18Å; T101-H258 PolarHBondContact O-NE2 2.97Å; C107-H258 WeakPolarHBondContact CB-ND1 3.47Å; Y254-H258 WeakPolarHBondContact CA-O 3.35Å; D255-H258 PolarHBondContact N-O 2.91Å; D255-H258 WeakPolarHBondContact O-CB 3.24Å; D255-H258 PolarHBondContact O-N 3.31Å; S256-H258 VanDerWaalsContact C-N 3.28Å; S256-H258 PolarHBondContact O-N 2.93Å
259F97.7Very high93.2Very high6 Ų633.3 Ų33.33%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-97.7139.1169.9-70.8-84.4000111.2T101 C107 L108 A111 I198 V211 V231 L252 G253 Y254T101-F259 WeakPolarHBondContact CB-O 3.16Å; T101-F259 WeakPolarHBondContact CG2-O 3.39Å; C107-F259 HydrophobicContact CB-CB 4.47Å; C107-F259 PolarHBondContact SG-N 2.87Å; L108-F259 HydrophobicContact CB-CD2 3.71Å; L108-F259 HydrophobicContact CB-CE2 4Å; L108-F259 HydrophobicContact CB-CG 4.19Å; L108-F259 HydrophobicContact CD1-CD1 3.95Å; L108-F259 HydrophobicContact CD1-CD2 4.18Å; L108-F259 HydrophobicContact CD1-CE1 3.92Å; L108-F259 HydrophobicContact CD1-CE2 4.15Å; L108-F259 HydrophobicContact CD1-CG 4.09Å; L108-F259 HydrophobicContact CD1-CZ 4.03Å; A111-F259 HydrophobicContact CB-CB 4.09Å; I198-F259 HydrophobicContact CD1-CE1 3.8Å; I198-F259 HydrophobicContact CD1-CZ 3.65Å; I198-F259 HydrophobicContact CG1-CZ 4.43Å; V211-F259 HydrophobicContact CG1-CE1 4.12Å; V231-F259 HydrophobicContact CG1-CE1 4Å; V231-F259 HydrophobicContact CG1-CZ 3.77Å; L252-F259 HydrophobicContact CB-CD1 4.45Å; L252-F259 HydrophobicContact CD1-CD1 4.24Å; G253-F259 WeakPolarHBondContact O-CA 3.48Å; Y254-F259 AromaticContact CD2-CD1 3.71Å; Y254-F259 HydrophobicContact CD2-CD1 3.71Å; Y254-F259 AromaticContact CD2-CD2 3.78Å; Y254-F259 HydrophobicContact CD2-CD2 3.78Å; Y254-F259 AromaticContact CD2-CE1 3.48Å; Y254-F259 HydrophobicContact CD2-CE1 3.48Å; Y254-F259 VanDerWaalsContact CD2-CE1 3.48Å; Y254-F259 AromaticContact CD2-CE2 3.56Å; Y254-F259 HydrophobicContact CD2-CE2 3.56Å; Y254-F259 AromaticContact CD2-CG 3.84Å; Y254-F259 HydrophobicContact CD2-CG 3.84Å; Y254-F259 AromaticContact CD2-CZ 3.4Å; Y254-F259 HydrophobicContact CD2-CZ 3.4Å; Y254-F259 VanDerWaalsContact CD2-CZ 3.4Å; Y254-F259 HydrophobicContact CE2-CD2 4.09Å; Y254-F259 HydrophobicContact CE2-CE1 4.3Å; Y254-F259 AromaticContact CE2-CE2 3.64Å; Y254-F259 HydrophobicContact CE2-CE2 3.64Å; Y254-F259 AromaticContact CE2-CZ 3.75Å; Y254-F259 HydrophobicContact CE2-CZ 3.75Å; Y254-F259 HydrophobicContact CG-CD1 4.32Å; Y254-F259 HydrophobicContact CG-CE1 4.05Å; Y254-F259 HydrophobicContact CG-CZ 4.28Å
260A98.3Very high92.8Very high0 Ų039.5 Ų39.50%023%0.23CC..EExtended strand (participates in β ladder)trans-137.7152.8169.500000111.2M77 P98 L99 L252 G253M77-A260 HydrophobicContact CE-CB 3.85Å; M77-A260 HydrophobicContact SD-CB 3.69Å; P98-A260 HydrophobicContact CB-CB 4Å; L99-A260 WeakPolarHBondContact O-CB 3.38Å; L252-A260 CarbonylContact C-O 3.59Å; L252-A260 WeakPolarHBondContact CA-O 3.21Å; G253-A260 PolarHBondContact N-O 3.18Å; G253-A260 PolarHBondContact O-N 3.43Å
261P98.6Very high92.5Very high0 Ų042.7 Ų42.70%024%0.244CC..EExtended strand (participates in β ladder)trans-82.2128.3177.633.5-33.6000110.9P98 L99 T101 A111 Q114 Y115 L252 I263P98-P261 WeakPolarHBondContact CA-O 3.49Å; L99-P261 HydrophobicContact CB-CG 3.87Å; L99-P261 HydrophobicContact CD1-CG 4.38Å; L99-P261 HydrophobicContact CG-CG 4.28Å; L99-P261 PolarHBondContact N-O 2.89Å; L99-P261 VanDerWaalsContact N-O 3.13Å; T101-P261 VanDerWaalsContact OG1-CD 3.27Å; T101-P261 WeakPolarHBondContact OG1-CD 3.39Å; A111-P261 WeakPolarHBondContact O-CB 3.4Å; Q114-P261 HydrophobicContact CB-CG 3.8Å; Y115-P261 HydrophobicContact CD2-CB 4.02Å; Y115-P261 HydrophobicContact CG-CB 4.45Å; L252-P261 HydrophobicContact CD2-CB 4.47Å; P261-I263 HydrophobicContact CB-CG2 4.36Å; P261-I263 PolarHBondContact O-N 3.49Å
262L98.6Very high92.3Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-9287.6177.2-73.8173000109.8L87 M96 P98 Y115 I212 V251L87-L262 HydrophobicContact CD1-CD1 4.08Å; L87-L262 HydrophobicContact CD1-CD2 3.94Å; L87-L262 HydrophobicContact CD2-CD2 3.72Å; M96-L262 HydrophobicContact CB-CB 4.11Å; M96-L262 HydrophobicContact SD-CB 4.39Å; P98-L262 HydrophobicContact CB-CD2 3.9Å; P98-L262 HydrophobicContact CG-CD2 4.32Å; Y115-L262 WeakPolarHBondContact CE2-O 3.42Å; I212-L262 HydrophobicContact CB-CD1 3.84Å; I212-L262 HydrophobicContact CG1-CD1 3.91Å; V251-L262 HydrophobicContact CB-CB 4.25Å; V251-L262 HydrophobicContact CG1-CB 3.95Å; V251-L262 HydrophobicContact CG1-CD1 4.09Å; V251-L262 PolarHBondContact O-N 2.83Å
263I97.6Very high92.2Very high0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-91.3145.8-177.564.6171.4000111.8L52 M54 M96 V97 L99 Y115 P261 M344L52-I263 HydrophobicContact CB-CG2 4.5Å; L52-I263 HydrophobicContact CD2-CD1 4.01Å; L52-I263 HydrophobicContact CD2-CG2 4.5Å; L52-I263 HydrophobicContact CG-CD1 4.31Å; M54-I263 HydrophobicContact CB-CD1 3.7Å; M54-I263 HydrophobicContact CB-CG1 4.08Å; M96-I263 CarbonylContact C-O 3.43Å; M96-I263 VanDerWaalsContact CA-O 3.26Å; M96-I263 WeakPolarHBondContact CA-O 3.32Å; V97-I263 HydrophobicContact CG2-CG1 4.26Å; V97-I263 PolarHBondContact N-O 3Å; V97-I263 PolarHBondContact O-N 3.41Å; V97-I263 VanDerWaalsContact O-N 3.08Å; L99-I263 HydrophobicContact CD1-CD1 3.83Å; L99-I263 HydrophobicContact CD2-CD1 3.74Å; L99-I263 HydrophobicContact CD2-CG1 4.32Å; L99-I263 HydrophobicContact CG-CD1 3.72Å; L99-I263 HydrophobicContact CG-CG1 4.15Å; Y115-I263 HydrophobicContact CD2-CG2 3.99Å; Y115-I263 HydrophobicContact CE2-CG2 4.3Å; P261-I263 HydrophobicContact CB-CG2 4.36Å; P261-I263 PolarHBondContact O-N 3.49Å; I263-M344 HydrophobicContact CD1-CE 3.88Å
264T96.4Very high92.2Very high2 Ų248.1 Ų48.11%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-73.1154.2176.246.20000111.9E53 M54 M96 R273 L332E53-T264 WeakPolarHBondContact CG-O 3.43Å; E53-T264 PolarHBondContact OE1-OG1 3.16Å; M54-T264 WeakPolarHBondContact CB-O 3.42Å; M54-T264 PolarHBondContact N-O 3.33Å; M96-T264 HydrophobicContact CG-CG2 3.78Å; T264-R273 HydrophobicContact CG2-CG 3.81Å; T264-L332 HydrophobicContact CG2-CD1 3.7Å
265V91.9Very high92.2Very high17 Ų1746.6 Ų46.610%0.10326%0.264CS..BIsolated β-bridgetrans-88.2135.9172.6-177.20000110.5M54 M57 K95 V97 D267M54-V265 HydrophobicContact CB-CG2 4.44Å; M57-V265 HydrophobicContact CE-CG1 4.2Å; M57-V265 HydrophobicContact CE-CG2 4.35Å; K95-V265 PolarHBondContact O-N 3.13Å; V97-V265 HydrophobicContact CG1-CG2 4.37Å; V97-V265 HydrophobicContact CG2-CG2 4.22Å; V265-D267 VanDerWaalsContact C-N 3.27Å; V265-D267 PolarHBondContact O-N 2.94Å
266K87.8Confident92.4Very high119 Ų11945.4 Ų45.452%0.51726%0.258SS..  trans-77.176.1174.7-168.8171.5-178.6175.70110.7E53 M54 A56E53-K266 HydrophobicContact CG-CB 4.02Å; M54-K266 WeakPolarHBondContact O-CB 3.3Å; M54-K266 PolarHBondContact O-N 2.92Å; A56-K266 VanDerWaalsContact CA-O 3.3Å; A56-K266 WeakPolarHBondContact CA-O 3.43Å; A56-K266 WeakPolarHBondContact CB-O 3.48Å
267D83.9Confident92.9Very high48 Ų4841 Ų4126%0.25723%0.226SC..  trans-109.7159173.74737.7000112.3K94 V265 G269K94-D267 WeakPolarHBondContact CE-OD1 3.18Å; K94-D267 PolarHBondContact NZ-O 2.86Å; K94-D267 IonicContact NZ-OD1 3.34Å; K94-D267 PolarHBondContact NZ-OD1 3.2Å; V265-D267 VanDerWaalsContact C-N 3.27Å; V265-D267 PolarHBondContact O-N 2.94Å; D267-G269 VanDerWaalsContact C-N 3.3Å
268S77.9Confident93Very high123 Ų12334.4 Ų34.486%0.8620%0.196SC*.  trans-94.722.4178.8-47.20000112.8
269G82.7Confident92.8Very high29 Ų2933.5 Ų33.530%0.29919%0.192SC..  trans-75159.3-177.300000113.4D267 E271D267-G269 VanDerWaalsContact C-N 3.3Å; G269-E271 WeakPolarHBondContact CA-OE2 3.48Å; G269-E271 PolarHBondContact O-N 3.5Å
270P89.5Confident92.1Very high130 Ų13033.9 Ų33.984%0.84420%0.195SC*.SBendtrans-71.6-8.1177.932.6-38.1000113.9
271E93.3Very high91.2Very high66 Ų6639.3 Ų39.331%0.30822%0.218SC..  trans-63.6139.2-177.9-57.795.313800112.3R91 K94 G269R91-E271 WeakPolarHBondContact O-CG 3.24Å; K94-E271 WeakPolarHBondContact CE-O 3.38Å; K94-E271 HydrophobicContact CG-CB 3.98Å; K94-E271 VanDerWaalsContact CG-O 3.22Å; K94-E271 WeakPolarHBondContact CG-O 3.48Å; G269-E271 WeakPolarHBondContact CA-OE2 3.48Å; G269-E271 PolarHBondContact O-N 3.5Å
272I94.6Very high89.9Confident70 Ų7051.7 Ų51.736%0.35927%0.265SS..BIsolated β-bridgetrans-77.7132-173.1-58.7170.7000110E92 L93 K94 A274 I312 I314E92-I272 PolarHBondContact O-N 3.36Å; L93-I272 WeakPolarHBondContact CA-O 3.4Å; L93-I272 HydrophobicContact CD2-CB 4.14Å; L93-I272 HydrophobicContact CD2-CG2 4.44Å; L93-I272 VanDerWaalsContact CD2-O 3.29Å; L93-I272 WeakPolarHBondContact CD2-O 3.06Å; K94-I272 PolarHBondContact N-O 2.88Å; I272-A274 HydrophobicContact CG2-CB 4.22Å; I272-A274 PolarHBondContact O-N 2.78Å; I272-I312 HydrophobicContact CG2-CD1 3.55Å; I272-I314 HydrophobicContact CB-CD1 4.44Å; I272-I314 HydrophobicContact CD1-CD1 4.12Å; I272-I314 HydrophobicContact CD1-CG1 4.15Å; I272-I314 HydrophobicContact CD1-CG2 4.43Å; I272-I314 HydrophobicContact CG2-CD1 4.27Å
273R95.9Very high88.5Confident43 Ų4357.7 Ų57.716%0.16230%0.302CS..  trans-79.282176.7-155.4-159.4-78.2100.5-11.5111.2E53 K94 T264 L332 D333 E334E53-R273 IonicContact OE1-CZ 3.14Å; E53-R273 IonicContact OE1-NE 2.81Å; E53-R273 PolarHBondContact OE1-NE 3.11Å; E53-R273 IonicContact OE1-NH2 2.65Å; E53-R273 PolarHBondContact OE1-NH2 3.48Å; E53-R273 IonicContact OE2-NH2 3.94Å; K94-R273 HydrophobicContact CD-CB 4.06Å; K94-R273 HydrophobicContact CD-CG 4.11Å; K94-R273 HydrophobicContact CG-CB 4.32Å; T264-R273 HydrophobicContact CG2-CG 3.81Å; R273-L332 HydrophobicContact CG-CB 4.07Å; R273-L332 PolarHBondContact O-N 3.3Å; R273-D333 WeakPolarHBondContact CD-O 3.16Å; R273-E334 IonicContact CZ-OE1 3.4Å; R273-E334 IonicContact NH1-OE1 2.71Å; R273-E334 PolarHBondContact NH1-OE1 3.26Å; R273-E334 IonicContact NH2-OE1 3.38Å; R273-E334 PolarHBondContact NH2-OE1 2.81Å
274A97.4Very high87.5Confident1 Ų159.6 Ų59.61%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-148.3165.6177.800000112.4L93 I272 I312 I314 A329 A330L93-A274 HydrophobicContact CD2-CB 3.68Å; L93-A274 WeakPolarHBondContact CD2-O 3.44Å; I272-A274 HydrophobicContact CG2-CB 4.22Å; I272-A274 PolarHBondContact O-N 2.78Å; A274-I312 HydrophobicContact CB-CD1 3.86Å; A274-I312 HydrophobicContact CB-CG1 4.41Å; A274-I314 HydrophobicContact CB-CD1 4.49Å; A274-A329 HydrophobicContact CB-CB 3.95Å; A274-A330 CarbonylContact C-O 3.53Å; A274-A330 WeakPolarHBondContact CA-O 3.44Å; A274-A330 VanDerWaalsContact CB-O 3.24Å; A274-A330 WeakPolarHBondContact CB-O 3.01Å
275V97.5Very high86.8Confident0 Ų062.4 Ų62.40%033%0.333CS..EExtended strand (participates in β ladder)trans-113132.9173.460.10000110M96 V210 I212 P249 V251 L277 A329 A330 L332M96-V275 HydrophobicContact CE-CB 4.36Å; M96-V275 HydrophobicContact CE-CG2 4.08Å; V210-V275 HydrophobicContact CG1-CG2 4.32Å; I212-V275 HydrophobicContact CD1-CG2 4.22Å; P249-V275 HydrophobicContact CG-CG1 4.21Å; V251-V275 HydrophobicContact CG1-CG2 4.33Å; V251-V275 HydrophobicContact CG2-CB 4.4Å; V251-V275 HydrophobicContact CG2-CG1 4.26Å; V275-L277 HydrophobicContact CG1-CD2 4.48Å; V275-A329 CarbonylContact O-C 3.42Å; V275-A329 WeakPolarHBondContact O-CA 3.48Å; V275-A329 VanDerWaalsContact O-CB 3.29Å; V275-A329 WeakPolarHBondContact O-CB 3.26Å; V275-A330 HydrophobicContact CG1-CB 4.15Å; V275-A330 PolarHBondContact N-O 3.04Å; V275-A330 PolarHBondContact O-N 2.7Å; V275-L332 HydrophobicContact CB-CD1 4.43Å; V275-L332 HydrophobicContact CB-CD2 4.19Å; V275-L332 HydrophobicContact CB-CG 4.5Å; V275-L332 HydrophobicContact CG1-CD2 3.8Å
276P95.4Very high86.6Confident12 Ų1263.4 Ų63.48%0.07834%0.338CS..EExtended strand (participates in β ladder)trans-63.3141.5175.3-1225000110.5W89 L93 I278 M327W89-P276 HydrophobicContact CZ2-CB 3.8Å; W89-P276 HydrophobicContact CZ2-CG 3.79Å; L93-P276 HydrophobicContact CD1-CG 3.55Å; P276-I278 HydrophobicContact CB-CG1 3.75Å; P276-I278 PolarHBondContact O-N 2.89Å; P276-M327 HydrophobicContact CB-SD 4.22Å
277L95.2Very high86.7Confident11 Ų1163.6 Ų63.66%0.05834%0.341CS..SBendtrans-92.827.5171-57-168.3000112.1I234 V275 L288 L305 L309 L311 K328 A330I234-L277 HydrophobicContact CD1-CB 4.22Å; I234-L277 HydrophobicContact CD1-CD1 4.13Å; I234-L277 HydrophobicContact CD1-CD2 3.87Å; I234-L277 HydrophobicContact CD1-CG 4.29Å; V275-L277 HydrophobicContact CG1-CD2 4.48Å; L277-L288 PolarHBondContact O-N 3.47Å; L277-L305 HydrophobicContact CD1-CD2 4.44Å; L277-L309 HydrophobicContact CD1-CD1 4.04Å; L277-L311 HydrophobicContact CD1-CD2 3.45Å; L277-L311 VanDerWaalsContact CD1-CD2 3.45Å; L277-K328 PolarHBondContact N-O 2.8Å; L277-A330 HydrophobicContact CD1-CB 4.37Å; L277-A330 HydrophobicContact CD2-CB 3.94Å; L277-A330 HydrophobicContact CG-CB 4.36Å
278I91.3Very high87.2Confident15 Ų1561.6 Ų61.68%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-145.8157.1-171.153163.2000111.7W89 P276 F285 D286 E287 W325 M327W89-I278 HydrophobicContact CH2-CD1 3.88Å; W89-I278 HydrophobicContact CH2-CG1 4.39Å; W89-I278 HydrophobicContact CZ2-CD1 4.08Å; W89-I278 HydrophobicContact CZ2-CG1 4.08Å; P276-I278 HydrophobicContact CB-CG1 3.75Å; P276-I278 PolarHBondContact O-N 2.89Å; I278-F285 HydrophobicContact CD1-CD1 3.94Å; I278-F285 HydrophobicContact CD1-CE1 4.44Å; I278-F285 HydrophobicContact CD1-CG 4.43Å; I278-D286 CarbonylContact C-O 3.58Å; I278-D286 WeakPolarHBondContact CA-O 3.3Å; I278-D286 WeakPolarHBondContact CB-O 3.44Å; I278-E287 HydrophobicContact CG2-CG 4.5Å; I278-W325 HydrophobicContact CD1-CH2 3.39Å; I278-W325 HydrophobicContact CD1-CZ3 3.57Å; I278-M327 HydrophobicContact CD1-CB 3.53Å; I278-M327 HydrophobicContact CD1-CG 4.29Å; I278-M327 HydrophobicContact CD1-SD 3.81Å; I278-M327 HydrophobicContact CG1-SD 4.4Å
279N87.2Confident87.9Confident12 Ų1259.3 Ų59.36%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-114.6136.8168.1-76.8-52.6000110.4K86 F285 D286 L288K86-N279 WeakPolarHBondContact CD-OD1 3.25Å; N279-F285 CarbonylContact O-C 3.49Å; N279-F285 VanDerWaalsContact O-CA 3.28Å; N279-F285 WeakPolarHBondContact O-CA 3.34Å; N279-D286 HydrophobicContact CB-CB 4.41Å; N279-D286 PolarHBondContact N-O 3.11Å; N279-D286 PolarHBondContact O-N 3.47Å; N279-L288 WeakPolarHBondContact ND2-CD2 3.18Å
280P83.9Confident88.6Confident13 Ų1358.4 Ų58.48%0.08429%0.294CS..EExtended strand (participates in β ladder)trans-71141170.330.7-34000111K85 W89 F285K85-P280 HydrophobicContact CB-CG 3.96Å; K85-P280 WeakPolarHBondContact O-CD 3.47Å; K85-P280 VanDerWaalsContact O-CG 3.28Å; K85-P280 WeakPolarHBondContact O-CG 3.44Å; W89-P280 HydrophobicContact CD2-CG 3.85Å; W89-P280 HydrophobicContact CE3-CB 4.5Å; W89-P280 HydrophobicContact CE3-CG 4.22Å; W89-P280 HydrophobicContact CG-CG 4Å; P280-F285 HydrophobicContact CB-CD1 4.22Å; P280-F285 HydrophobicContact CB-CE1 4.21Å
281K78.2Confident89Confident114 Ų11452.2 Ų52.250%0.49625%0.253SS..  trans-107.2-178.9171-93.2175.7153.4162.90110.8V283 G284 D286K281-V283 VanDerWaalsContact CB-O 3.26Å; K281-V283 WeakPolarHBondContact CB-O 3.31Å; K281-V283 PolarHBondContact O-N 3.23Å; K281-G284 WeakPolarHBondContact CB-O 3.48Å; K281-G284 PolarHBondContact N-O 2.98Å; K281-D286 VanDerWaalsContact CE-CG 3.46Å; K281-D286 VanDerWaalsContact CE-OD1 3.31Å; K281-D286 WeakPolarHBondContact CE-OD1 3.5Å; K281-D286 WeakPolarHBondContact CE-OD2 3.42Å; K281-D286 VanDerWaalsContact NZ-CG 3.26Å; K281-D286 IonicContact NZ-OD1 3.61Å; K281-D286 PolarHBondContact NZ-OD1 2.96Å; K281-D286 IonicContact NZ-OD2 3.69Å; K281-D286 PolarHBondContact NZ-OD2 2.87Å; K281-D286 VanDerWaalsContact NZ-OD2 3.14Å
282R71.3Confident89.1Confident260 Ų26049.1 Ų49.198%0.98124%0.239SC*.SBendtrans-64.3-29.2168.1-62.7-171.1-172-148.33.2112.2
283V69.3Low89.2Confident126 Ų12646 Ų4676%0.76422%0.223SC*.SBendtrans-142.6128.3172.6-1780000106.3K281K281-V283 VanDerWaalsContact CB-O 3.26Å; K281-V283 WeakPolarHBondContact CB-O 3.31Å; K281-V283 PolarHBondContact O-N 3.23Å
284G76.9Confident89.2Confident40 Ų4046.5 Ų46.541%0.41223%0.228SC..SBendtrans66.5-155.9-177.500000114.5K281K281-G284 WeakPolarHBondContact CB-O 3.48Å; K281-G284 PolarHBondContact N-O 2.98Å
285F82.4Confident88.9Confident61 Ų6154.4 Ų54.427%0.26826%0.264SS..EExtended strand (participates in β ladder)trans-140.4154.3-173.2-56.4-92.8000110.6W89 I278 N279 P280 L319 W325W89-F285 HydrophobicContact CH2-CE1 4.19Å; W89-F285 HydrophobicContact CZ3-CE1 4.3Å; I278-F285 HydrophobicContact CD1-CD1 3.94Å; I278-F285 HydrophobicContact CD1-CE1 4.44Å; I278-F285 HydrophobicContact CD1-CG 4.43Å; N279-F285 CarbonylContact O-C 3.49Å; N279-F285 VanDerWaalsContact O-CA 3.28Å; N279-F285 WeakPolarHBondContact O-CA 3.34Å; P280-F285 HydrophobicContact CB-CD1 4.22Å; P280-F285 HydrophobicContact CB-CE1 4.21Å; F285-L319 HydrophobicContact CE1-CD1 3.53Å; F285-L319 HydrophobicContact CZ-CD1 3.49Å; F285-L319 VanDerWaalsContact CZ-CD1 3.49Å; F285-W325 HydrophobicContact CB-CH2 4.12Å; F285-W325 AromaticContact CD1-CH2 3.78Å; F285-W325 HydrophobicContact CD1-CH2 3.78Å; F285-W325 AromaticContact CD1-CZ3 3.73Å; F285-W325 HydrophobicContact CD1-CZ3 3.73Å; F285-W325 HydrophobicContact CD2-CD2 4.4Å; F285-W325 HydrophobicContact CD2-CE3 4.14Å; F285-W325 AromaticContact CD2-CH2 3.26Å; F285-W325 HydrophobicContact CD2-CH2 3.26Å; F285-W325 AromaticContact CD2-CZ2 3.63Å; F285-W325 HydrophobicContact CD2-CZ2 3.63Å; F285-W325 AromaticContact CD2-CZ3 3.57Å; F285-W325 HydrophobicContact CD2-CZ3 3.57Å; F285-W325 HydrophobicContact CE1-CE3 4.14Å; F285-W325 AromaticContact CE1-CH2 3.97Å; F285-W325 HydrophobicContact CE1-CH2 3.97Å; F285-W325 AromaticContact CE1-CZ3 3.43Å; F285-W325 HydrophobicContact CE1-CZ3 3.43Å; F285-W325 VanDerWaalsContact CE1-CZ3 3.43Å; F285-W325 AromaticContact CE2-CD2 3.82Å; F285-W325 HydrophobicContact CE2-CD2 3.82Å; F285-W325 AromaticContact CE2-CE3 3.45Å; F285-W325 HydrophobicContact CE2-CE3 3.45Å; F285-W325 VanDerWaalsContact CE2-CE3 3.45Å; F285-W325 AromaticContact CE2-CH2 3.49Å; F285-W325 HydrophobicContact CE2-CH2 3.49Å; F285-W325 VanDerWaalsContact CE2-CH2 3.49Å; F285-W325 AromaticContact CE2-CZ2 3.91Å; F285-W325 HydrophobicContact CE2-CZ2 3.91Å; F285-W325 AromaticContact CE2-CZ3 3.26Å; F285-W325 HydrophobicContact CE2-CZ3 3.26Å; F285-W325 AromaticContact CG-CH2 3.43Å; F285-W325 HydrophobicContact CG-CH2 3.43Å; F285-W325 VanDerWaalsContact CG-CH2 3.43Å; F285-W325 HydrophobicContact CG-CZ2 4.17Å; F285-W325 AromaticContact CG-CZ3 3.81Å; F285-W325 HydrophobicContact CG-CZ3 3.81Å; F285-W325 HydrophobicContact CZ-CD2 4.26Å; F285-W325 AromaticContact CZ-CE3 3.45Å; F285-W325 HydrophobicContact CZ-CE3 3.45Å; F285-W325 VanDerWaalsContact CZ-CE3 3.45Å; F285-W325 AromaticContact CZ-CH2 3.84Å; F285-W325 HydrophobicContact CZ-CH2 3.84Å; F285-W325 AromaticContact CZ-CZ3 3.18Å; F285-W325 HydrophobicContact CZ-CZ3 3.18Å
286D86.8Confident88.8Confident39 Ų3961.9 Ų61.921%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-101.3141.3162.1-75.5-34.5000109.6Q215 I278 N279 K281Q215-D286 PolarHBondContact NE2-OD2 3.18Å; I278-D286 CarbonylContact C-O 3.58Å; I278-D286 WeakPolarHBondContact CA-O 3.3Å; I278-D286 WeakPolarHBondContact CB-O 3.44Å; N279-D286 HydrophobicContact CB-CB 4.41Å; N279-D286 PolarHBondContact N-O 3.11Å; N279-D286 PolarHBondContact O-N 3.47Å; K281-D286 VanDerWaalsContact CE-CG 3.46Å; K281-D286 VanDerWaalsContact CE-OD1 3.31Å; K281-D286 WeakPolarHBondContact CE-OD1 3.5Å; K281-D286 WeakPolarHBondContact CE-OD2 3.42Å; K281-D286 VanDerWaalsContact NZ-CG 3.26Å; K281-D286 IonicContact NZ-OD1 3.61Å; K281-D286 PolarHBondContact NZ-OD1 2.96Å; K281-D286 IonicContact NZ-OD2 3.69Å; K281-D286 PolarHBondContact NZ-OD2 2.87Å; K281-D286 VanDerWaalsContact NZ-OD2 3.14Å
287E90.6Very high88.8Confident122 Ų12262.4 Ų62.457%0.5730%0.298SS*.EExtended strand (participates in β ladder)trans-70.3147.6160-64.9177.7174.700110.2I278 K301I278-E287 HydrophobicContact CG2-CG 4.5Å; E287-K301 IonicContact OE2-NZ 2.8Å; E287-K301 PolarHBondContact OE2-NZ 2.78Å
288L93.3Very high88.7Confident7 Ų765.4 Ų65.44%0.03731%0.312CS..PPolyproline II helixtrans-63.8138.3168-67.2-179.4000110V210 I212 I234 L277 N279 V290V210-L288 HydrophobicContact CG1-CD1 3.94Å; I212-L288 HydrophobicContact CD1-CD1 4.47Å; I234-L288 HydrophobicContact CD1-CB 3.95Å; I234-L288 HydrophobicContact CD1-CD1 4.39Å; I234-L288 HydrophobicContact CG1-CB 3.87Å; I234-L288 HydrophobicContact CG1-CD1 4.06Å; L277-L288 PolarHBondContact O-N 3.47Å; N279-L288 WeakPolarHBondContact ND2-CD2 3.18Å; L288-V290 PolarHBondContact O-N 2.92Å
289K93.8Very high88.9Confident75 Ų7570 Ų7033%0.32634%0.343SS..PPolyproline II helixtrans-59132171.3176.6177.7164.4-165.30108.8E149 G233 I234 H291E149-K289 VanDerWaalsContact CD-CE 3.4Å; E149-K289 WeakPolarHBondContact OE1-CE 3.3Å; E149-K289 IonicContact OE1-NZ 3.94Å; E149-K289 PolarHBondContact OE1-NZ 3.2Å; E149-K289 VanDerWaalsContact OE2-CE 3.31Å; E149-K289 WeakPolarHBondContact OE2-CE 3.47Å; E149-K289 IonicContact OE2-NZ 2.76Å; G233-K289 CarbonylContact C-O 3.42Å; G233-K289 VanDerWaalsContact CA-O 3.26Å; G233-K289 WeakPolarHBondContact CA-O 3.13Å; I234-K289 PolarHBondContact N-O 3.13Å; K289-H291 VanDerWaalsContact CE-CE1 3.43Å; K289-H291 WeakPolarHBondContact CE-CE1 3.35Å; K289-H291 VanDerWaalsContact CE-ND1 3.34Å; K289-H291 WeakPolarHBondContact CE-ND1 3.29Å; K289-H291 PolarHBondContact NZ-CE1 3.36Å; K289-H291 PolarHBondContact NZ-ND1 2.85Å
290V97.1Very high89.3Confident10 Ų1074.1 Ų74.16%0.06136%0.362CS..BIsolated β-bridgetrans-97.1116.5167.3-177.10000106.5I234 L236 L288 L293 K301 L305I234-V290 HydrophobicContact CB-CG2 4.25Å; I234-V290 HydrophobicContact CD1-CG2 4.21Å; I234-V290 WeakPolarHBondContact O-CA 3.47Å; L236-V290 HydrophobicContact CD1-CG1 4.06Å; L236-V290 HydrophobicContact CG-CG1 4.23Å; L288-V290 PolarHBondContact O-N 2.92Å; V290-L293 HydrophobicContact CB-CD1 3.92Å; V290-L293 HydrophobicContact CB-CG 4.3Å; V290-L293 HydrophobicContact CG1-CD1 3.8Å; V290-L293 HydrophobicContact CG1-CD2 3.94Å; V290-L293 HydrophobicContact CG1-CG 3.83Å; V290-K301 HydrophobicContact CG2-CD 4.41Å; V290-K301 HydrophobicContact CG2-CG 4.12Å; V290-L305 HydrophobicContact CG2-CD1 4.12Å; V290-L305 HydrophobicContact CG2-CD2 3.93Å; V290-L305 HydrophobicContact CG2-CG 4.27Å
291H97Very high89.9Confident0 Ų075.4 Ų75.40%037%0.366CS..THydrogen-bonded Turntrans-81.3150.2-169.4-71.7-99.9000112.7E149 N230 I234 Y235 K289 L293E149-H291 IonicContact OE1-CE1 3.92Å; E149-H291 IonicContact OE1-CG 2.84Å; E149-H291 IonicContact OE1-ND1 2.66Å; E149-H291 PolarHBondContact OE1-ND1 2.78Å; E149-H291 WeakPolarHBondContact OE2-CA 3.49Å; N230-H291 PolarHBondContact O-CE1 3.05Å; I234-H291 PolarHBondContact O-N 2.93Å; Y235-H291 HydrophobicContact CD1-CB 3.75Å; Y235-H291 AromaticContact CD1-CG 3.98Å; Y235-H291 HydrophobicContact CE1-CB 3.71Å; Y235-H291 AromaticContact CE1-CD2 3.87Å; Y235-H291 AromaticContact CE1-CG 3.5Å; Y235-H291 VanDerWaalsContact CE1-CG 3.5Å; Y235-H291 AromaticContact CE1-ND1 3.79Å; Y235-H291 AromaticContact CE2-CD2 3.79Å; Y235-H291 HydrophobicContact CG-CB 4.42Å; Y235-H291 AromaticContact CZ-CD2 3.59Å; Y235-H291 AromaticContact CZ-CE1 3.84Å; Y235-H291 AromaticContact CZ-CG 3.67Å; Y235-H291 AromaticContact CZ-ND1 3.84Å; Y235-H291 AromaticContact CZ-NE2 3.74Å; Y235-H291 PolarHBondContact OH-CE1 3.19Å; K289-H291 VanDerWaalsContact CE-CE1 3.43Å; K289-H291 WeakPolarHBondContact CE-CE1 3.35Å; K289-H291 VanDerWaalsContact CE-ND1 3.34Å; K289-H291 WeakPolarHBondContact CE-ND1 3.29Å; K289-H291 PolarHBondContact NZ-CE1 3.36Å; K289-H291 PolarHBondContact NZ-ND1 2.85Å; H291-L293 PolarHBondContact O-N 3.17Å
292F97.1Very high90.7Very high1 Ų173 Ų730%0.00436%0.356CS..THydrogen-bonded Turntrans6025.4168.7-60.2-64.5000114.8R145 E149 D195 I196 F199 Y235R145-F292 HydrophobicContact CB-CB 4.1Å; R145-F292 HydrophobicContact CB-CD1 4.38Å; R145-F292 PolarHBondContact NH1-O 3.12Å; E149-F292 HydrophobicContact CB-CD1 3.66Å; E149-F292 HydrophobicContact CB-CE1 3.68Å; E149-F292 HydrophobicContact CG-CD1 4.23Å; E149-F292 HydrophobicContact CG-CE1 3.99Å; E149-F292 PolarHBondContact OE2-N 3.44Å; D195-F292 HydrophobicContact CB-CE2 4.3Å; D195-F292 HydrophobicContact CB-CZ 4.24Å; I196-F292 HydrophobicContact CB-CE1 4.31Å; I196-F292 HydrophobicContact CB-CE2 4.36Å; I196-F292 HydrophobicContact CB-CZ 3.79Å; I196-F292 HydrophobicContact CD1-CD1 4.18Å; I196-F292 HydrophobicContact CD1-CE1 3.94Å; I196-F292 HydrophobicContact CD1-CE2 4.29Å; I196-F292 HydrophobicContact CD1-CG 4.48Å; I196-F292 HydrophobicContact CD1-CZ 4Å; I196-F292 HydrophobicContact CG1-CZ 4.48Å; F199-F292 HydrophobicContact CB-CD2 3.41Å; F199-F292 VanDerWaalsContact CB-CD2 3.41Å; F199-F292 HydrophobicContact CB-CE2 3.74Å; F199-F292 HydrophobicContact CB-CG 4.33Å; F199-F292 HydrophobicContact CD1-CB 4.22Å; F199-F292 HydrophobicContact CD1-CD2 4.16Å; F199-F292 HydrophobicContact CD1-CG 4.28Å; F199-F292 HydrophobicContact CD2-CB 3.97Å; F199-F292 AromaticContact CD2-CD2 3.89Å; F199-F292 HydrophobicContact CD2-CD2 3.89Å; F199-F292 HydrophobicContact CD2-CG 4.34Å; F199-F292 HydrophobicContact CE1-CB 4.24Å; F199-F292 HydrophobicContact CE2-CB 3.99Å; F199-F292 HydrophobicContact CG-CB 4.09Å; F199-F292 AromaticContact CG-CD2 3.56Å; F199-F292 HydrophobicContact CG-CD2 3.56Å; F199-F292 HydrophobicContact CG-CE2 4.36Å; F199-F292 HydrophobicContact CG-CG 4.07Å; F199-F292 HydrophobicContact CZ-CB 4.14Å; Y235-F292 HydrophobicContact CD1-CD2 4.43Å; Y235-F292 HydrophobicContact CD1-CE2 4.36Å; Y235-F292 HydrophobicContact CE1-CD2 4.5Å; Y235-F292 HydrophobicContact CE1-CE2 4.04Å
293L96.4Very high91.9Very high3 Ų368.3 Ų68.32%0.01634%0.339CS..  trans-69.9128.3169.4-64-174.5000110.6L238 V290 H291 E297 Q298 K301 L304L238-L293 HydrophobicContact CD1-CD2 3.76Å; V290-L293 HydrophobicContact CB-CD1 3.92Å; V290-L293 HydrophobicContact CB-CG 4.3Å; V290-L293 HydrophobicContact CG1-CD1 3.8Å; V290-L293 HydrophobicContact CG1-CD2 3.94Å; V290-L293 HydrophobicContact CG1-CG 3.83Å; H291-L293 PolarHBondContact O-N 3.17Å; L293-E297 HydrophobicContact CB-CB 4.33Å; L293-E297 HydrophobicContact CD2-CB 4.24Å; L293-Q298 HydrophobicContact CB-CG 4.21Å; L293-K301 HydrophobicContact CD1-CB 4.21Å; L293-K301 HydrophobicContact CD1-CG 4.27Å; L293-L304 HydrophobicContact CD2-CD1 3.89Å
294M94.9Very high93.3Very high54 Ų5463.2 Ų63.227%0.26631%0.307SS..  trans-71.8158.4169.4-61.1-58.4-68.500110.3R145 A148 K296 E297 Q298R145-M294 HydrophobicContact CB-SD 4.28Å; R145-M294 HydrophobicContact CG-CG 4.1Å; R145-M294 HydrophobicContact CG-SD 3.56Å; R145-M294 VanDerWaalsContact CG-SD 3.56Å; A148-M294 HydrophobicContact CB-CE 4.38Å; A148-M294 HydrophobicContact CB-SD 4.1Å; M294-K296 HydrophobicContact CB-CG 4.36Å; M294-K296 PolarHBondContact O-N 2.97Å; M294-K296 VanDerWaalsContact O-N 3.12Å; M294-E297 HydrophobicContact CB-CG 4.31Å; M294-E297 PolarHBondContact N-OE2 2.88Å; M294-E297 WeakPolarHBondContact O-CA 3.36Å; M294-E297 WeakPolarHBondContact O-CB 3.48Å; M294-E297 PolarHBondContact O-N 3.07Å; M294-Q298 PolarHBondContact O-N 3.35Å; M294-Q298 VanDerWaalsContact O-N 3.08Å
295E92.3Very high94.3Very high167 Ų16761.7 Ų61.778%0.7829%0.29SS*.THydrogen-bonded Turntrans-50.4-40.6-179.4-173.8175.1-159.400113.7E297 P299E295-E297 VanDerWaalsContact C-N 3.27Å; E295-E297 PolarHBondContact O-N 3.41Å; E295-P299 WeakPolarHBondContact O-CD 3.1Å
296K94Very high95.1Very high158 Ų15863.1 Ų63.169%0.68730%0.3SS*.THydrogen-bonded Turntrans-67.7-19.8175.474-175.9-177.5174.40114.9M294M294-K296 HydrophobicContact CB-CG 4.36Å; M294-K296 PolarHBondContact O-N 2.97Å; M294-K296 VanDerWaalsContact O-N 3.12Å
297E95.6Very high95.6Very high23 Ų2363.6 Ų63.611%0.10730%0.302CS..THydrogen-bonded Turntrans-97.2-27.8-176.6-63.7166.5172.800111.7R145 L293 M294 E295 Q300 K301 L304R145-E297 IonicContact CZ-OE1 3.23Å; R145-E297 IonicContact CZ-OE2 3.9Å; R145-E297 IonicContact NH1-OE1 2.84Å; R145-E297 IonicContact NH1-OE2 3.29Å; R145-E297 PolarHBondContact NH1-OE2 3.49Å; R145-E297 IonicContact NH2-OE1 2.74Å; R145-E297 PolarHBondContact NH2-OE1 3.36Å; R145-E297 IonicContact NH2-OE2 2.78Å; R145-E297 PolarHBondContact NH2-OE2 2.86Å; L293-E297 HydrophobicContact CB-CB 4.33Å; L293-E297 HydrophobicContact CD2-CB 4.24Å; M294-E297 HydrophobicContact CB-CG 4.31Å; M294-E297 PolarHBondContact N-OE2 2.88Å; M294-E297 WeakPolarHBondContact O-CA 3.36Å; M294-E297 WeakPolarHBondContact O-CB 3.48Å; M294-E297 PolarHBondContact O-N 3.07Å; E295-E297 VanDerWaalsContact C-N 3.27Å; E295-E297 PolarHBondContact O-N 3.41Å; E297-Q300 CarbonylContact O-C 3.53Å; E297-Q300 WeakPolarHBondContact O-CA 3.43Å; E297-Q300 WeakPolarHBondContact O-CB 3.38Å; E297-Q300 PolarHBondContact O-N 3Å; E297-K301 PolarHBondContact O-N 3.35Å; E297-K301 VanDerWaalsContact O-N 3.15Å; E297-L304 HydrophobicContact CB-CD1 3.99Å
298Q92.6Very high96Very high73 Ų7358.4 Ų58.434%0.34128%0.278SS..G310 helixtrans-49.5-50.3174.5-67.4-72.315.800113.8L293 M294 Q300 K301L293-Q298 HydrophobicContact CB-CG 4.21Å; M294-Q298 PolarHBondContact O-N 3.35Å; M294-Q298 VanDerWaalsContact O-N 3.08Å; Q298-Q300 PolarHBondContact O-N 3.14Å; Q298-Q300 VanDerWaalsContact O-N 3.11Å; Q298-K301 WeakPolarHBondContact O-CB 3.15Å; Q298-K301 PolarHBondContact O-N 2.71Å; Q298-K301 VanDerWaalsContact O-N 3.13Å
299P96.1Very high96.2Very high111 Ų11158.2 Ų58.272%0.72128%0.277SS*.G310 helixtrans-68.9-8.1176.529.2-36.6000113.7E295E295-P299 WeakPolarHBondContact O-CD 3.1Å
300Q95.9Very high96.5Very high99 Ų9958.4 Ų58.446%0.46328%0.278SS..G310 helixtrans-105.56176.5-58.2-172.5-7.100112.7E297 Q298 E302 R303 L304E297-Q300 CarbonylContact O-C 3.53Å; E297-Q300 WeakPolarHBondContact O-CA 3.43Å; E297-Q300 WeakPolarHBondContact O-CB 3.38Å; E297-Q300 PolarHBondContact O-N 3Å; Q298-Q300 PolarHBondContact O-N 3.14Å; Q298-Q300 VanDerWaalsContact O-N 3.11Å; Q300-E302 VanDerWaalsContact C-N 3.33Å; Q300-E302 PolarHBondContact O-N 3.47Å; Q300-R303 WeakPolarHBondContact O-CA 3.39Å; Q300-R303 WeakPolarHBondContact O-CB 3.27Å; Q300-R303 PolarHBondContact O-N 2.77Å; Q300-L304 HydrophobicContact CB-CD1 4.44Å; Q300-L304 HydrophobicContact CB-CG 4.46Å; Q300-L304 WeakPolarHBondContact O-CG 3.24Å; Q300-L304 PolarHBondContact O-N 3.26Å
301K95.8Very high96.5Very high41 Ų4159.4 Ų59.418%0.17828%0.284CS..Hα-helixtrans-42-53.9-178.8178.9-167.2175.6-176.80113.3E287 V290 L293 E297 Q298 R303 L304 L305E287-K301 IonicContact OE2-NZ 2.8Å; E287-K301 PolarHBondContact OE2-NZ 2.78Å; V290-K301 HydrophobicContact CG2-CD 4.41Å; V290-K301 HydrophobicContact CG2-CG 4.12Å; L293-K301 HydrophobicContact CD1-CB 4.21Å; L293-K301 HydrophobicContact CD1-CG 4.27Å; E297-K301 PolarHBondContact O-N 3.35Å; E297-K301 VanDerWaalsContact O-N 3.15Å; Q298-K301 WeakPolarHBondContact O-CB 3.15Å; Q298-K301 PolarHBondContact O-N 2.71Å; Q298-K301 VanDerWaalsContact O-N 3.13Å; K301-R303 VanDerWaalsContact C-N 3.34Å; K301-R303 PolarHBondContact O-N 3.12Å; K301-L304 PolarHBondContact O-N 3.18Å; K301-L305 HydrophobicContact CG-CD1 4.22Å; K301-L305 WeakPolarHBondContact O-CG 3.39Å; K301-L305 PolarHBondContact O-N 3.31Å
302E95.5Very high96.5Very high63 Ų6361.3 Ų61.329%0.29429%0.293SS..Hα-helixtrans-64.9-37.1-177.4-72.9-58102.600112.9Q300 L305 N306 K328Q300-E302 VanDerWaalsContact C-N 3.33Å; Q300-E302 PolarHBondContact O-N 3.47Å; E302-L305 PolarHBondContact O-N 2.79Å; E302-N306 PolarHBondContact O-N 3.01Å; E302-N306 VanDerWaalsContact O-N 3.13Å; E302-N306 PolarHBondContact O-ND2 3.25Å; E302-K328 IonicContact OE2-NZ 2.63Å; E302-K328 PolarHBondContact OE2-NZ 3.27Å
303R97.3Very high96.3Very high162 Ų16267.4 Ų67.461%0.61132%0.322SS*.Hα-helixtrans-64.9-46.5172.7175.1179.5172.2168.44.2110.4Q300 K301 L305 N306 D307Q300-R303 WeakPolarHBondContact O-CA 3.39Å; Q300-R303 WeakPolarHBondContact O-CB 3.27Å; Q300-R303 PolarHBondContact O-N 2.77Å; K301-R303 VanDerWaalsContact C-N 3.34Å; K301-R303 PolarHBondContact O-N 3.12Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 2.84Å; R303-N306 PolarHBondContact O-N 3.06Å; R303-N306 VanDerWaalsContact O-N 3.17Å; R303-D307 VanDerWaalsContact CG-OD2 3.31Å; R303-D307 WeakPolarHBondContact CG-OD2 3.4Å; R303-D307 IonicContact CZ-OD2 3.59Å; R303-D307 IonicContact NE-OD2 2.77Å; R303-D307 PolarHBondContact NE-OD2 3.25Å; R303-D307 IonicContact NH2-OD2 3.39Å; R303-D307 WeakPolarHBondContact O-CB 3.41Å; R303-D307 PolarHBondContact O-N 3.16Å
304L98.1Very high96Very high19 Ų1967.4 Ų67.410%0.09932%0.322CS..Hα-helixtrans-60.2-40.6178.3-65167.7000111.3L236 L238 L293 E297 Q300 K301 N306 D307 Y308L236-L304 HydrophobicContact CD1-CB 4.04Å; L238-L304 HydrophobicContact CD2-CD2 4.44Å; L293-L304 HydrophobicContact CD2-CD1 3.89Å; E297-L304 HydrophobicContact CB-CD1 3.99Å; Q300-L304 HydrophobicContact CB-CD1 4.44Å; Q300-L304 HydrophobicContact CB-CG 4.46Å; Q300-L304 WeakPolarHBondContact O-CG 3.24Å; Q300-L304 PolarHBondContact O-N 3.26Å; K301-L304 PolarHBondContact O-N 3.18Å; L304-N306 PolarHBondContact O-N 3.48Å; L304-D307 PolarHBondContact O-N 3.43Å; L304-Y308 HydrophobicContact CB-CD2 4.49Å; L304-Y308 HydrophobicContact CD2-CE2 3.95Å; L304-Y308 VanDerWaalsContact O-CD2 3.28Å; L304-Y308 WeakPolarHBondContact O-CD2 3.38Å; L304-Y308 PolarHBondContact O-N 2.95Å
305L98.3Very high95.6Very high8 Ų868.6 Ų68.64%0.04233%0.334CS..Hα-helixtrans-62.4-42.9174.9-71.2172.8000112.2I234 L236 L277 V290 K301 E302 R303 L309 L311I234-L305 HydrophobicContact CD1-CD2 3.84Å; I234-L305 HydrophobicContact CG2-CD2 4.15Å; L236-L305 HydrophobicContact CD1-CD2 4.41Å; L277-L305 HydrophobicContact CD1-CD2 4.44Å; V290-L305 HydrophobicContact CG2-CD1 4.12Å; V290-L305 HydrophobicContact CG2-CD2 3.93Å; V290-L305 HydrophobicContact CG2-CG 4.27Å; K301-L305 HydrophobicContact CG-CD1 4.22Å; K301-L305 WeakPolarHBondContact O-CG 3.39Å; K301-L305 PolarHBondContact O-N 3.31Å; E302-L305 PolarHBondContact O-N 2.79Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 2.84Å; L305-L309 HydrophobicContact CD2-CD1 3.9Å; L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.35Å; L305-L309 PolarHBondContact O-N 3.3Å; L305-L311 HydrophobicContact CB-CD1 4.08Å
306N97.8Very high95Very high90 Ų9061.2 Ų61.248%0.48130%0.3SS..Hα-helixtrans-68.4-35.8173.9-77.3-83.2000113.2E302 R303 L304E302-N306 PolarHBondContact O-N 3.01Å; E302-N306 VanDerWaalsContact O-N 3.13Å; E302-N306 PolarHBondContact O-ND2 3.25Å; R303-N306 PolarHBondContact O-N 3.06Å; R303-N306 VanDerWaalsContact O-N 3.17Å; L304-N306 PolarHBondContact O-N 3.48Å
307D98.3Very high93.8Very high49 Ų4960 Ų6026%0.26230%0.299SS..Hα-helixtrans-70.2-40-179.1-83.7-25.4000110.9P242 K247 R303 L304P242-D307 HydrophobicContact CB-CB 4.06Å; P242-D307 VanDerWaalsContact CB-O 3.24Å; P242-D307 WeakPolarHBondContact CB-O 3.27Å; P242-D307 HydrophobicContact CG-CB 3.84Å; K247-D307 WeakPolarHBondContact CE-O 3.28Å; K247-D307 PolarHBondContact NZ-O 3.13Å; R303-D307 VanDerWaalsContact CG-OD2 3.31Å; R303-D307 WeakPolarHBondContact CG-OD2 3.4Å; R303-D307 IonicContact CZ-OD2 3.59Å; R303-D307 IonicContact NE-OD2 2.77Å; R303-D307 PolarHBondContact NE-OD2 3.25Å; R303-D307 IonicContact NH2-OD2 3.39Å; R303-D307 WeakPolarHBondContact O-CB 3.41Å; R303-D307 PolarHBondContact O-N 3.16Å; L304-D307 PolarHBondContact O-N 3.43Å
308Y98.8Very high92Very high13 Ų1361.7 Ų61.75%0.05132%0.323CS..Hα-helixtrans-98.6-15.3-177.3-70.4-84.9000115.8L236 P237 L238 W240 P242 C245 K247 L304L236-Y308 HydrophobicContact CB-CD2 4.5Å; L236-Y308 HydrophobicContact CD1-CD2 4.05Å; P237-Y308 HydrophobicContact CG-CD1 3.69Å; P237-Y308 HydrophobicContact CG-CE1 3.88Å; L238-Y308 HydrophobicContact CD2-CD2 4.31Å; L238-Y308 HydrophobicContact CD2-CE2 3.6Å; W240-Y308 PolarHBondContact O-OH 3.15Å; P242-Y308 HydrophobicContact CB-CD1 4.06Å; P242-Y308 HydrophobicContact CB-CE1 4.07Å; P242-Y308 HydrophobicContact CB-CG 4.3Å; P242-Y308 HydrophobicContact CG-CD1 4.36Å; P242-Y308 HydrophobicContact CG-CD2 4.26Å; P242-Y308 HydrophobicContact CG-CE1 3.98Å; P242-Y308 HydrophobicContact CG-CE2 3.86Å; P242-Y308 HydrophobicContact CG-CG 4.5Å; C245-Y308 HydrophobicContact CB-CD1 4.25Å; K247-Y308 WeakPolarHBondContact CA-O 3.11Å; K247-Y308 WeakPolarHBondContact CB-O 3.38Å; L304-Y308 HydrophobicContact CB-CD2 4.49Å; L304-Y308 HydrophobicContact CD2-CE2 3.95Å; L304-Y308 VanDerWaalsContact O-CD2 3.28Å; L304-Y308 WeakPolarHBondContact O-CD2 3.38Å; L304-Y308 PolarHBondContact O-N 2.95Å
309L98.7Very high90.3Very high3 Ų362.3 Ų62.32%0.01633%0.328CS..SBendtrans-127146.5-179.4-63.6164.2000111.9P208 I234 L236 K247 P249 L277 L305 L311 A330P208-L309 HydrophobicContact CB-CD2 3.73Å; P208-L309 HydrophobicContact CG-CD2 3.77Å; P208-L309 HydrophobicContact CG-CG 4.37Å; I234-L309 HydrophobicContact CG2-CD1 4.35Å; L236-L309 HydrophobicContact CD2-CD1 4.44Å; K247-L309 WeakPolarHBondContact O-CA 3.5Å; P249-L309 HydrophobicContact CB-CD2 4.01Å; P249-L309 HydrophobicContact CG-CD2 4.08Å; L277-L309 HydrophobicContact CD1-CD1 4.04Å; L305-L309 HydrophobicContact CD2-CD1 3.9Å; L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.35Å; L305-L309 PolarHBondContact O-N 3.3Å; L309-L311 VanDerWaalsContact C-N 3.33Å; L309-L311 HydrophobicContact CB-CD2 3.72Å; L309-L311 HydrophobicContact CB-CG 4.45Å; L309-L311 HydrophobicContact CD1-CD2 4.24Å; L309-L311 PolarHBondContact O-N 2.92Å; L309-A330 HydrophobicContact CB-CB 4.21Å; L309-A330 HydrophobicContact CD1-CB 4.22Å; L309-A330 HydrophobicContact CD2-CB 4.22Å; L309-A330 HydrophobicContact CG-CB 4.47Å
310H98.3Very high88.3Confident79 Ų7960.9 Ų60.937%0.36633%0.333SS..  trans-77.183.6166.5-72.9-52.6000110.8K247 Y248 K331K247-H310 PolarHBondContact O-N 3.3Å; Y248-H310 AromaticContact CE2-CD2 3.75Å; Y248-H310 AromaticContact CZ-CD2 3.77Å; H310-K331 HydrophobicContact CB-CB 4.12Å; H310-K331 HydrophobicContact CB-CD 4.32Å; H310-K331 HydrophobicContact CB-CG 4.38Å; H310-K331 PolarHBondContact O-N 3.45Å
311L97.8Very high86.2Confident32 Ų3263 Ų6317%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-69.9150.1176.6-56.2-167.3000112.4L277 L305 L309 A329 A330L277-L311 HydrophobicContact CD1-CD2 3.45Å; L277-L311 VanDerWaalsContact CD1-CD2 3.45Å; L305-L311 HydrophobicContact CB-CD1 4.08Å; L309-L311 VanDerWaalsContact C-N 3.33Å; L309-L311 HydrophobicContact CB-CD2 3.72Å; L309-L311 HydrophobicContact CB-CG 4.45Å; L309-L311 HydrophobicContact CD1-CD2 4.24Å; L309-L311 PolarHBondContact O-N 2.92Å; L311-A329 CarbonylContact C-O 3.53Å; L311-A329 WeakPolarHBondContact CA-O 3.39Å; L311-A330 HydrophobicContact CD2-CB 4.22Å
312I96.6Very high84.2Confident39 Ų3970.8 Ų70.820%0.238%0.38CS..EExtended strand (participates in β ladder)trans-141.6156.6167.650.8171.7000110.3I272 A274 I314 K328 A329 K331I272-I312 HydrophobicContact CG2-CD1 3.55Å; A274-I312 HydrophobicContact CB-CD1 3.86Å; A274-I312 HydrophobicContact CB-CG1 4.41Å; I312-I314 HydrophobicContact CD1-CD1 3.88Å; I312-I314 HydrophobicContact CD1-CG1 4.09Å; I312-I314 HydrophobicContact CG1-CD1 4.34Å; I312-I314 HydrophobicContact CG1-CG1 4.3Å; I312-K328 WeakPolarHBondContact O-CA 3.39Å; I312-A329 HydrophobicContact CG1-CB 4.3Å; I312-A329 WeakPolarHBondContact CG1-O 3.45Å; I312-A329 PolarHBondContact N-O 3.04Å; I312-A329 PolarHBondContact O-N 3.36Å; I312-K331 HydrophobicContact CD1-CG 4.12Å; I312-K331 HydrophobicContact CG1-CG 4.28Å; I312-K331 HydrophobicContact CG2-CD 4.25Å; I312-K331 HydrophobicContact CG2-CG 4.03Å
313E93.6Very high82.6Confident130 Ų13073.3 Ų73.361%0.60740%0.4SS*.EExtended strand (participates in β ladder)trans-101.4133.4172.9-75.9-177.1175.600109.9I326 M327 K328E313-I326 HydrophobicContact CB-CG2 3.6Å; E313-I326 HydrophobicContact CG-CG2 3.91Å; E313-M327 CarbonylContact C-O 3.58Å; E313-M327 WeakPolarHBondContact CA-O 3.2Å; E313-K328 HydrophobicContact CG-CG 4.37Å
314I90.4Very high81.2Confident2 Ų268.3 Ų68.31%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-127.6121.8-175-60.6-177.9000109.1E92 L93 I272 A274 I312 V316 I326 M327 A329E92-I314 HydrophobicContact CB-CG2 3.91Å; L93-I314 HydrophobicContact CD2-CD1 3.43Å; L93-I314 VanDerWaalsContact CD2-CD1 3.43Å; L93-I314 HydrophobicContact CG-CD1 4.2Å; I272-I314 HydrophobicContact CB-CD1 4.44Å; I272-I314 HydrophobicContact CD1-CD1 4.12Å; I272-I314 HydrophobicContact CD1-CG1 4.15Å; I272-I314 HydrophobicContact CD1-CG2 4.43Å; I272-I314 HydrophobicContact CG2-CD1 4.27Å; A274-I314 HydrophobicContact CB-CD1 4.49Å; I312-I314 HydrophobicContact CD1-CD1 3.88Å; I312-I314 HydrophobicContact CD1-CG1 4.09Å; I312-I314 HydrophobicContact CG1-CD1 4.34Å; I312-I314 HydrophobicContact CG1-CG1 4.3Å; I314-V316 HydrophobicContact CG2-CG2 4.31Å; I314-V316 PolarHBondContact O-N 3.15Å; I314-I326 WeakPolarHBondContact O-CA 3.36Å; I314-M327 HydrophobicContact CB-CE 3.94Å; I314-M327 HydrophobicContact CB-CG 4.03Å; I314-M327 HydrophobicContact CD1-CE 4.04Å; I314-M327 HydrophobicContact CG2-CE 3.9Å; I314-M327 PolarHBondContact N-O 3.17Å; I314-M327 PolarHBondContact O-N 2.8Å; I314-A329 HydrophobicContact CD1-CB 3.73Å; I314-A329 HydrophobicContact CG1-CB 4.42Å
315P86.3Confident80.2Confident80 Ų8072.1 Ų72.152%0.51941%0.406SS..EExtended strand (participates in β ladder)trans-74.2119.9171.130.6-31.9000109.7W325P315-W325 CarbonylContact C-O 3.37Å; P315-W325 WeakPolarHBondContact CA-O 3.45Å
316V79.2Confident79.7Confident12 Ų1276.4 Ų76.47%0.07343%0.428CS..EExtended strand (participates in β ladder)trans-107.7135.4177.1178.80000109.4E92 I314 W325 M327E92-V316 WeakPolarHBondContact OE1-CA 3.4Å; I314-V316 HydrophobicContact CG2-CG2 4.31Å; I314-V316 PolarHBondContact O-N 3.15Å; V316-W325 PolarHBondContact N-O 2.91Å; V316-W325 PolarHBondContact O-N 3.33Å; V316-W325 VanDerWaalsContact O-N 3.11Å; V316-M327 HydrophobicContact CG2-CE 3.74Å; V316-M327 HydrophobicContact CG2-CG 3.8Å; V316-M327 HydrophobicContact CG2-SD 3.72Å
317I68.2Low79.3Confident131 Ų13172.2 Ų72.267%0.67241%0.406SS*.  trans-118.3124.2-178.5-56.1177.1000110.2E92 A324E92-I317 PolarHBondContact OE1-N 3.36Å; E92-I317 VanDerWaalsContact OE1-N 3.16Å; I317-A324 HydrophobicContact CG1-CB 4.09Å
318G59.5Low79Confident59 Ų5973.6 Ų73.661%0.60841%0.41SS*.  trans100.360.9164.500000117
319L56.7Low78.9Confident87 Ų8773 Ų7346%0.45541%0.407SS..SBendtrans-112.835160.2-86.1165.4000112.5W89 F285W89-L319 HydrophobicContact CZ3-CD1 4.29Å; F285-L319 HydrophobicContact CE1-CD1 3.53Å; F285-L319 HydrophobicContact CZ-CD1 3.49Å; F285-L319 VanDerWaalsContact CZ-CD1 3.49Å
320G52.6Low78.9Confident80 Ų8072.9 Ų72.983%0.82541%0.406SS*.SBendtrans94.12.6176.300000115.7
321H52.7Low78.9Confident143 Ų14373.6 Ų73.666%0.66241%0.408SS*.  trans-110.2145.9172.4-65.2-87.1000110.6T323H321-T323 VanDerWaalsContact C-N 3.31Å
322E53.2Low78.9Confident206 Ų20672.3 Ų72.396%0.96340%0.402SS*.SBendtrans-74.4-21.8178.6-60-177141.900112.7
323T61.8Low78.9Confident115 Ų11571.2 Ų71.271%0.70640%0.396SS*.SBendtrans-85.9133.2179-340000111.4H321H321-T323 VanDerWaalsContact C-N 3.31Å
324A69.5Low78.9Confident57 Ų5770.6 Ų70.647%0.47139%0.394SS..  trans-63138.8167.200000110.6I317I317-A324 HydrophobicContact CG1-CB 4.09Å
325W77.1Confident79.1Confident100 Ų10072.3 Ų72.338%0.37941%0.412SS..EExtended strand (participates in β ladder)trans-118.2146.3-178.5174.567000111.3I278 F285 P315 V316 M327I278-W325 HydrophobicContact CD1-CH2 3.39Å; I278-W325 HydrophobicContact CD1-CZ3 3.57Å; F285-W325 HydrophobicContact CB-CH2 4.12Å; F285-W325 AromaticContact CD1-CH2 3.78Å; F285-W325 HydrophobicContact CD1-CH2 3.78Å; F285-W325 AromaticContact CD1-CZ3 3.73Å; F285-W325 HydrophobicContact CD1-CZ3 3.73Å; F285-W325 HydrophobicContact CD2-CD2 4.4Å; F285-W325 HydrophobicContact CD2-CE3 4.14Å; F285-W325 AromaticContact CD2-CH2 3.26Å; F285-W325 HydrophobicContact CD2-CH2 3.26Å; F285-W325 AromaticContact CD2-CZ2 3.63Å; F285-W325 HydrophobicContact CD2-CZ2 3.63Å; F285-W325 AromaticContact CD2-CZ3 3.57Å; F285-W325 HydrophobicContact CD2-CZ3 3.57Å; F285-W325 HydrophobicContact CE1-CE3 4.14Å; F285-W325 AromaticContact CE1-CH2 3.97Å; F285-W325 HydrophobicContact CE1-CH2 3.97Å; F285-W325 AromaticContact CE1-CZ3 3.43Å; F285-W325 HydrophobicContact CE1-CZ3 3.43Å; F285-W325 VanDerWaalsContact CE1-CZ3 3.43Å; F285-W325 AromaticContact CE2-CD2 3.82Å; F285-W325 HydrophobicContact CE2-CD2 3.82Å; F285-W325 AromaticContact CE2-CE3 3.45Å; F285-W325 HydrophobicContact CE2-CE3 3.45Å; F285-W325 VanDerWaalsContact CE2-CE3 3.45Å; F285-W325 AromaticContact CE2-CH2 3.49Å; F285-W325 HydrophobicContact CE2-CH2 3.49Å; F285-W325 VanDerWaalsContact CE2-CH2 3.49Å; F285-W325 AromaticContact CE2-CZ2 3.91Å; F285-W325 HydrophobicContact CE2-CZ2 3.91Å; F285-W325 AromaticContact CE2-CZ3 3.26Å; F285-W325 HydrophobicContact CE2-CZ3 3.26Å; F285-W325 AromaticContact CG-CH2 3.43Å; F285-W325 HydrophobicContact CG-CH2 3.43Å; F285-W325 VanDerWaalsContact CG-CH2 3.43Å; F285-W325 HydrophobicContact CG-CZ2 4.17Å; F285-W325 AromaticContact CG-CZ3 3.81Å; F285-W325 HydrophobicContact CG-CZ3 3.81Å; F285-W325 HydrophobicContact CZ-CD2 4.26Å; F285-W325 AromaticContact CZ-CE3 3.45Å; F285-W325 HydrophobicContact CZ-CE3 3.45Å; F285-W325 VanDerWaalsContact CZ-CE3 3.45Å; F285-W325 AromaticContact CZ-CH2 3.84Å; F285-W325 HydrophobicContact CZ-CH2 3.84Å; F285-W325 AromaticContact CZ-CZ3 3.18Å; F285-W325 HydrophobicContact CZ-CZ3 3.18Å; P315-W325 CarbonylContact C-O 3.37Å; P315-W325 WeakPolarHBondContact CA-O 3.45Å; V316-W325 PolarHBondContact N-O 2.91Å; V316-W325 PolarHBondContact O-N 3.33Å; V316-W325 VanDerWaalsContact O-N 3.11Å; W325-M327 HydrophobicContact CE3-CB 4.15Å; W325-M327 HydrophobicContact CH2-CB 3.85Å; W325-M327 HydrophobicContact CZ3-CB 3.59Å
326I86.1Confident79.6Confident97 Ų9771.4 Ų71.450%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-102122.5-177.8-60.8175.6000109.8E313 I314E313-I326 HydrophobicContact CB-CG2 3.6Å; E313-I326 HydrophobicContact CG-CG2 3.91Å; I314-I326 WeakPolarHBondContact O-CA 3.36Å
327M89.9Confident80.4Confident2 Ų271.5 Ų71.51%0.0140%0.403CS..EExtended strand (participates in β ladder)trans-107.7152.5172.669.8170.3-17700112.9W89 C90 L93 P276 I278 E313 I314 V316 W325W89-M327 HydrophobicContact CH2-SD 3.82Å; W89-M327 HydrophobicContact CZ2-SD 4.35Å; C90-M327 HydrophobicContact CB-CE 4.2Å; C90-M327 WeakPolarHBondContact SG-CE 3.4Å; L93-M327 HydrophobicContact CD1-CE 3.67Å; L93-M327 HydrophobicContact CG-CE 4.06Å; P276-M327 HydrophobicContact CB-SD 4.22Å; I278-M327 HydrophobicContact CD1-CB 3.53Å; I278-M327 HydrophobicContact CD1-CG 4.29Å; I278-M327 HydrophobicContact CD1-SD 3.81Å; I278-M327 HydrophobicContact CG1-SD 4.4Å; E313-M327 CarbonylContact C-O 3.58Å; E313-M327 WeakPolarHBondContact CA-O 3.2Å; I314-M327 HydrophobicContact CB-CE 3.94Å; I314-M327 HydrophobicContact CB-CG 4.03Å; I314-M327 HydrophobicContact CD1-CE 4.04Å; I314-M327 HydrophobicContact CG2-CE 3.9Å; I314-M327 PolarHBondContact N-O 3.17Å; I314-M327 PolarHBondContact O-N 2.8Å; V316-M327 HydrophobicContact CG2-CE 3.74Å; V316-M327 HydrophobicContact CG2-CG 3.8Å; V316-M327 HydrophobicContact CG2-SD 3.72Å; W325-M327 HydrophobicContact CE3-CB 4.15Å; W325-M327 HydrophobicContact CH2-CB 3.85Å; W325-M327 HydrophobicContact CZ3-CB 3.59Å
328K92.2Very high81.7Confident79 Ų7967.5 Ų67.534%0.34339%0.385SS..EExtended strand (participates in β ladder)trans-87.5130.8167.3-74.4171.7177.4164.40111.3L277 E302 I312 E313L277-K328 PolarHBondContact N-O 2.8Å; E302-K328 IonicContact OE2-NZ 2.63Å; E302-K328 PolarHBondContact OE2-NZ 3.27Å; I312-K328 WeakPolarHBondContact O-CA 3.39Å; E313-K328 HydrophobicContact CG-CG 4.37Å
329A96.7Very high83.3Confident0 Ų072.9 Ų72.90%039%0.394CS..EExtended strand (participates in β ladder)trans-131.9150.4173.600000110.3A274 V275 L311 I312 I314A274-A329 HydrophobicContact CB-CB 3.95Å; V275-A329 CarbonylContact O-C 3.42Å; V275-A329 WeakPolarHBondContact O-CA 3.48Å; V275-A329 VanDerWaalsContact O-CB 3.29Å; V275-A329 WeakPolarHBondContact O-CB 3.26Å; L311-A329 CarbonylContact C-O 3.53Å; L311-A329 WeakPolarHBondContact CA-O 3.39Å; I312-A329 HydrophobicContact CG1-CB 4.3Å; I312-A329 WeakPolarHBondContact CG1-O 3.45Å; I312-A329 PolarHBondContact N-O 3.04Å; I312-A329 PolarHBondContact O-N 3.36Å; I314-A329 HydrophobicContact CD1-CB 3.73Å; I314-A329 HydrophobicContact CG1-CB 4.42Å
330A98.4Very high85.1Confident0 Ų072.4 Ų72.40%039%0.392CS..EExtended strand (participates in β ladder)trans-96.6128.4172.300000110.2P249 A274 V275 L277 L309 L311P249-A330 HydrophobicContact CG-CB 4.4Å; A274-A330 CarbonylContact C-O 3.53Å; A274-A330 WeakPolarHBondContact CA-O 3.44Å; A274-A330 VanDerWaalsContact CB-O 3.24Å; A274-A330 WeakPolarHBondContact CB-O 3.01Å; V275-A330 HydrophobicContact CG1-CB 4.15Å; V275-A330 PolarHBondContact N-O 3.04Å; V275-A330 PolarHBondContact O-N 2.7Å; L277-A330 HydrophobicContact CD1-CB 4.37Å; L277-A330 HydrophobicContact CD2-CB 3.94Å; L277-A330 HydrophobicContact CG-CB 4.36Å; L309-A330 HydrophobicContact CB-CB 4.21Å; L309-A330 HydrophobicContact CD1-CB 4.22Å; L309-A330 HydrophobicContact CD2-CB 4.22Å; L309-A330 HydrophobicContact CG-CB 4.47Å; L311-A330 HydrophobicContact CD2-CB 4.22Å
331K98.4Very high87.1Confident94 Ų9468.9 Ų68.941%0.40935%0.354SS..EExtended strand (participates in β ladder)trans-56.5140.6174.3-67.3-172.8-177.3-174.70110.8Y248 P249 H310 I312Y248-K331 HydrophobicContact CD1-CB 4.28Å; Y248-K331 WeakPolarHBondContact CD1-O 3.28Å; Y248-K331 HydrophobicContact CE1-CB 4.06Å; P249-K331 WeakPolarHBondContact CD-O 3.29Å; H310-K331 HydrophobicContact CB-CB 4.12Å; H310-K331 HydrophobicContact CB-CD 4.32Å; H310-K331 HydrophobicContact CB-CG 4.38Å; H310-K331 PolarHBondContact O-N 3.45Å; I312-K331 HydrophobicContact CD1-CG 4.12Å; I312-K331 HydrophobicContact CG1-CG 4.28Å; I312-K331 HydrophobicContact CG2-CD 4.25Å; I312-K331 HydrophobicContact CG2-CG 4.03Å
332L98.2Very high89.2Confident6 Ų663.5 Ų63.53%0.03133%0.331CS..PPolyproline II helixtrans-100.5152168.7-55.6178.5000109.7M96 Y248 P249 V251 T264 R273 V275M96-L332 HydrophobicContact CG-CD1 4.36Å; M96-L332 HydrophobicContact SD-CD1 3.69Å; Y248-L332 VanDerWaalsContact CD1-C 3.5Å; P249-L332 HydrophobicContact CG-CD2 3.68Å; V251-L332 HydrophobicContact CG2-CD1 4.28Å; V251-L332 HydrophobicContact CG2-CD2 3.5Å; T264-L332 HydrophobicContact CG2-CD1 3.7Å; R273-L332 HydrophobicContact CG-CB 4.07Å; R273-L332 PolarHBondContact O-N 3.3Å; V275-L332 HydrophobicContact CB-CD1 4.43Å; V275-L332 HydrophobicContact CB-CD2 4.19Å; V275-L332 HydrophobicContact CB-CG 4.5Å; V275-L332 HydrophobicContact CG1-CD2 3.8Å
333D97.2Very high91.2Very high15 Ų1553.7 Ų53.78%0.0829%0.285CS..PPolyproline II helixtrans-75.3165-178.9-177.727.3000111.5T51 Y246 Y248 R273 N336T51-D333 WeakPolarHBondContact CB-OD2 3.44Å; T51-D333 HydrophobicContact CG2-CB 4.15Å; T51-D333 WeakPolarHBondContact OG1-CB 3.46Å; T51-D333 PolarHBondContact OG1-OD2 2.93Å; Y246-D333 VanDerWaalsContact OH-CG 3.23Å; Y246-D333 PolarHBondContact OH-OD1 2.91Å; Y246-D333 PolarHBondContact OH-OD2 3.05Å; Y246-D333 VanDerWaalsContact OH-OD2 3.06Å; Y248-D333 HydrophobicContact CD1-CB 3.94Å; Y248-D333 HydrophobicContact CD2-CB 4.33Å; Y248-D333 HydrophobicContact CG-CB 3.77Å; R273-D333 WeakPolarHBondContact CD-O 3.16Å; D333-N336 PolarHBondContact OD2-ND2 3.36Å
334E93.8Very high92.8Very high118 Ų11848.5 Ų48.555%0.55125%0.253SS*.PPolyproline II helixtrans-85.8162.7174.8-49.3-133.810000111R273 N336R273-E334 IonicContact CZ-OE1 3.4Å; R273-E334 IonicContact NH1-OE1 2.71Å; R273-E334 PolarHBondContact NH1-OE1 3.26Å; R273-E334 IonicContact NH2-OE1 3.38Å; R273-E334 PolarHBondContact NH2-OE1 2.81Å; E334-N336 PolarHBondContact O-N 3.05Å
335G93.9Very high94Very high38 Ų3849.6 Ų49.639%0.39225%0.248SC..  trans-65.395.1171.200000111.8
336N96.9Very high94.7Very high60 Ų6046.1 Ų46.132%0.32124%0.237SC..  trans-111.39.9-167.670.612.8000114.6R49 Y50 T51 D333 E334R49-N336 PolarHBondContact O-ND2 3.02Å; Y50-N336 VanDerWaalsContact CA-OD1 3.23Å; Y50-N336 WeakPolarHBondContact CA-OD1 3.18Å; T51-N336 PolarHBondContact N-OD1 2.87Å; T51-N336 PolarHBondContact O-N 3.01Å; D333-N336 PolarHBondContact OD2-ND2 3.36Å; E334-N336 PolarHBondContact O-N 3.05Å
337L96.6Very high95.2Very high15 Ų1541.5 Ų41.58%0.07921%0.213CC..  trans-65.8127177.7-84.1165.1000112.2Y50 L52 L117 M341 N342Y50-L337 HydrophobicContact CD1-CD2 4.23Å; Y50-L337 HydrophobicContact CD2-CD2 4.43Å; Y50-L337 HydrophobicContact CG-CD2 3.91Å; L52-L337 HydrophobicContact CB-CD1 4.18Å; L52-L337 HydrophobicContact CD1-CD1 3.65Å; L117-L337 HydrophobicContact CD2-CD2 4.33Å; L337-M341 HydrophobicContact CD2-CB 4.22Å; L337-M341 HydrophobicContact CD2-CE 3.95Å; L337-N342 HydrophobicContact CB-CB 4.18Å
338P95.6Very high95.4Very high47 Ų4742.8 Ų42.831%0.30522%0.22SC..  trans-57.5148.8173.9-25.334.4000112.7Y50 D340 M341 N342Y50-P338 VanDerWaalsContact CE1-CD 3.48Å; Y50-P338 HydrophobicContact CE1-CG 3.95Å; P338-D340 PolarHBondContact O-N 2.95Å; P338-D340 VanDerWaalsContact O-N 3.09Å; P338-M341 CarbonylContact O-C 3.59Å; P338-M341 WeakPolarHBondContact O-CA 2.99Å; P338-M341 PolarHBondContact O-N 3.42Å; P338-N342 WeakPolarHBondContact O-CB 3.31Å; P338-N342 PolarHBondContact O-N 2.88Å
339E92.8Very high95.5Very high171 Ų17144.9 Ų44.980%0.79923%0.231SC*.THydrogen-bonded Turntrans-53.4-35.2-177.4-63.7177.9-178.900113.8K19 M341 N342K19-E339 WeakPolarHBondContact CE-O 3.13Å; K19-E339 PolarHBondContact NZ-O 3.12Å; E339-M341 PolarHBondContact O-N 2.93Å; E339-N342 PolarHBondContact O-N 3.28Å
340D93.4Very high95.3Very high78 Ų7847.5 Ų47.542%0.41725%0.245SC..THydrogen-bonded Turntrans-77-617990.1-40.3000114.1K19 R26 P338K19-D340 VanDerWaalsContact CG-O 3.24Å; K19-D340 WeakPolarHBondContact CG-O 3.47Å; R26-D340 IonicContact CZ-OD2 3.53Å; R26-D340 IonicContact NH1-OD1 2.83Å; R26-D340 PolarHBondContact NH1-OD1 3.41Å; R26-D340 IonicContact NH1-OD2 2.68Å; R26-D340 PolarHBondContact NH1-OD2 3.43Å; R26-D340 IonicContact NH2-OD2 3.46Å; R26-D340 PolarHBondContact NH2-OD2 3.01Å; P338-D340 PolarHBondContact O-N 2.95Å; P338-D340 VanDerWaalsContact O-N 3.09Å
341M94.6Very high95.1Very high5 Ų547.5 Ų47.53%0.02525%0.245CC..THydrogen-bonded Turntrans-120.1-14.2172.7-68.6-179.639.200113.2I23 R26 M47 Y50 L117 L337 P338 E339 L343I23-M341 HydrophobicContact CD1-CB 4.37Å; I23-M341 WeakPolarHBondContact CD1-O 3.37Å; I23-M341 HydrophobicContact CG1-CB 4.05Å; I23-M341 HydrophobicContact CG1-CG 3.99Å; R26-M341 PolarHBondContact NH1-SD 3.23Å; M47-M341 HydrophobicContact CE-CE 3.67Å; Y50-M341 HydrophobicContact CD2-CE 3.93Å; Y50-M341 HydrophobicContact CE2-CE 3.82Å; Y50-M341 HydrophobicContact CE2-SD 4.5Å; L117-M341 HydrophobicContact CD2-CE 3.79Å; L337-M341 HydrophobicContact CD2-CB 4.22Å; L337-M341 HydrophobicContact CD2-CE 3.95Å; P338-M341 CarbonylContact O-C 3.59Å; P338-M341 WeakPolarHBondContact O-CA 2.99Å; P338-M341 PolarHBondContact O-N 3.42Å; E339-M341 PolarHBondContact O-N 2.93Å; M341-L343 PolarHBondContact O-N 2.83Å; M341-L343 VanDerWaalsContact O-N 3.12Å
342N96.2Very high94.9Very high31 Ų3145.8 Ų45.817%0.16624%0.24CC..  trans-77.2101.1-178.1-172.5-11.6000110.9K19 L337 P338 E339 M344 E345K19-N342 PolarHBondContact NZ-O 3.47Å; L337-N342 HydrophobicContact CB-CB 4.18Å; P338-N342 WeakPolarHBondContact O-CB 3.31Å; P338-N342 PolarHBondContact O-N 2.88Å; E339-N342 PolarHBondContact O-N 3.28Å; N342-M344 VanDerWaalsContact C-N 3.35Å; N342-M344 WeakPolarHBondContact OD1-CA 3.4Å; N342-M344 VanDerWaalsContact OD1-CB 3.23Å; N342-M344 WeakPolarHBondContact OD1-CB 3.48Å; N342-M344 PolarHBondContact OD1-N 3.43Å; N342-E345 PolarHBondContact OD1-N 3.46Å; N342-E345 VanDerWaalsContact OD1-N 3.1Å
343L95.8Very high94.6Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-80.1-15172.6-72.5165.1000113.2L12 F13 N16 K19 A20 I23 V119 M341 Y347L12-L343 HydrophobicContact CD2-CB 3.7Å; L12-L343 HydrophobicContact CG-CB 3.85Å; F13-L343 HydrophobicContact CB-CD1 4.43Å; N16-L343 HydrophobicContact CB-CD2 3.94Å; K19-L343 HydrophobicContact CB-CD2 3.93Å; K19-L343 HydrophobicContact CD-CD2 4.1Å; K19-L343 HydrophobicContact CD-CG 4.31Å; K19-L343 HydrophobicContact CG-CD2 4.23Å; A20-L343 HydrophobicContact CB-CD1 4.08Å; A20-L343 HydrophobicContact CB-CD2 4.34Å; I23-L343 HydrophobicContact CD1-CD1 3.67Å; I23-L343 HydrophobicContact CD1-CG 3.83Å; V119-L343 HydrophobicContact CG1-CD1 3.47Å; V119-L343 VanDerWaalsContact CG1-CD1 3.47Å; M341-L343 PolarHBondContact O-N 2.83Å; M341-L343 VanDerWaalsContact O-N 3.12Å; L343-Y347 WeakPolarHBondContact O-CB 3.42Å; L343-Y347 PolarHBondContact O-N 3.07Å
344M95.8Very high94.3Very high6 Ų650.4 Ų50.43%0.0326%0.26CS..Hα-helixtrans-71.3-35.2176.8-164.366.568.500111.3L12 L52 E53 M54 I55 I263 N342 Y347 L348L12-M344 HydrophobicContact CD1-CE 3.9Å; L12-M344 HydrophobicContact CD1-SD 3.67Å; L12-M344 HydrophobicContact CD2-CB 4.5Å; L12-M344 HydrophobicContact CD2-CE 3.95Å; L52-M344 HydrophobicContact CD1-CB 4.09Å; L52-M344 HydrophobicContact CD1-CE 3.97Å; L52-M344 HydrophobicContact CD2-CE 3.81Å; L52-M344 HydrophobicContact CG-CE 3.88Å; E53-M344 WeakPolarHBondContact O-CG 3.38Å; M54-M344 HydrophobicContact SD-CE 3.99Å; M54-M344 HydrophobicContact SD-SD 3.76Å; I55-M344 HydrophobicContact CG2-CG 3.54Å; I55-M344 HydrophobicContact CG2-SD 3.83Å; I263-M344 HydrophobicContact CD1-CE 3.88Å; N342-M344 VanDerWaalsContact C-N 3.35Å; N342-M344 WeakPolarHBondContact OD1-CA 3.4Å; N342-M344 VanDerWaalsContact OD1-CB 3.23Å; N342-M344 WeakPolarHBondContact OD1-CB 3.48Å; N342-M344 PolarHBondContact OD1-N 3.43Å; M344-Y347 PolarHBondContact O-N 3.02Å; M344-L348 PolarHBondContact O-N 2.83Å
345E93.9Very high94.2Very high79 Ų7947.1 Ų47.137%0.36924%0.243SC..Hα-helixtrans-68.6-40.3174.3-154.461.3-140.800112.2N342 Y347 L348 Q349N342-E345 PolarHBondContact OD1-N 3.46Å; N342-E345 VanDerWaalsContact OD1-N 3.1Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.94Å; E345-L348 WeakPolarHBondContact O-CB 3.46Å; E345-L348 PolarHBondContact O-N 2.97Å; E345-Q349 WeakPolarHBondContact O-CG 3.39Å; E345-Q349 PolarHBondContact O-N 2.98Å; E345-Q349 VanDerWaalsContact O-N 3.1Å
346D93.6Very high94.1Very high27 Ų2751 Ų5114%0.14425%0.252CS..Hα-helixtrans-63.7-38.6173.7-63.7-12.5000111.2N16 K19 Q349 L350N16-D346 HydrophobicContact CB-CB 4.09Å; N16-D346 WeakPolarHBondContact CB-OD2 3.45Å; N16-D346 PolarHBondContact ND2-OD2 3.35Å; K19-D346 WeakPolarHBondContact CD-OD2 3.28Å; K19-D346 WeakPolarHBondContact CE-OD1 3.27Å; K19-D346 WeakPolarHBondContact CE-OD2 3.43Å; K19-D346 IonicContact NZ-OD1 3.47Å; K19-D346 PolarHBondContact NZ-OD1 3.44Å; K19-D346 IonicContact NZ-OD2 2.68Å; K19-D346 PolarHBondContact NZ-OD2 3.33Å; D346-Q349 PolarHBondContact O-N 3.2Å; D346-L350 PolarHBondContact O-N 3.1Å
347Y95.5Very high93.7Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-68.7-36.4174.7-168.5-91.3000111.9P9 L12 V68 I72 L343 M344 E345 Q349 L350 V351P9-Y347 HydrophobicContact CB-CE2 4.45Å; P9-Y347 PolarHBondContact O-OH 3.23Å; L12-Y347 HydrophobicContact CD1-CD1 4.37Å; L12-Y347 HydrophobicContact CD1-CD2 4.11Å; L12-Y347 HydrophobicContact CD1-CG 3.78Å; V68-Y347 HydrophobicContact CG1-CE1 4.47Å; I72-Y347 HydrophobicContact CD1-CD1 4.22Å; I72-Y347 HydrophobicContact CD1-CD2 4.33Å; I72-Y347 HydrophobicContact CD1-CE1 3.93Å; I72-Y347 HydrophobicContact CD1-CE2 4.05Å; I72-Y347 HydrophobicContact CD1-CG 4.42Å; L343-Y347 WeakPolarHBondContact O-CB 3.42Å; L343-Y347 PolarHBondContact O-N 3.07Å; M344-Y347 PolarHBondContact O-N 3.02Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.94Å; Y347-Q349 PolarHBondContact O-N 3.37Å; Y347-L350 PolarHBondContact O-N 3.38Å; Y347-V351 HydrophobicContact CD1-CG2 3.65Å; Y347-V351 HydrophobicContact CE1-CG2 3.38Å; Y347-V351 VanDerWaalsContact O-CG2 3.3Å; Y347-V351 WeakPolarHBondContact O-CG2 3.47Å; Y347-V351 PolarHBondContact O-N 3.02Å
348L94.5Very high93.3Very high29 Ų2955.4 Ų55.415%0.15226%0.262CS..Hα-helixtrans-60.4-43.1174.3-174.951000111.9I55 M344 E345 L350 V351 N352I55-L348 HydrophobicContact CB-CD1 4.19Å; I55-L348 HydrophobicContact CD1-CD1 4.11Å; I55-L348 HydrophobicContact CG2-CB 3.78Å; I55-L348 HydrophobicContact CG2-CD1 4.06Å; I55-L348 HydrophobicContact CG2-CD2 4.34Å; I55-L348 HydrophobicContact CG2-CG 4.26Å; M344-L348 PolarHBondContact O-N 2.83Å; E345-L348 WeakPolarHBondContact O-CB 3.46Å; E345-L348 PolarHBondContact O-N 2.97Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.37Å; L348-V351 PolarHBondContact O-N 3.25Å; L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 VanDerWaalsContact O-CG 3.29Å; L348-N352 PolarHBondContact O-N 2.89Å; L348-N352 PolarHBondContact O-ND2 3.02Å
349Q93.4Very high92.9Very high123 Ų12355.5 Ų55.558%0.57526%0.259SS*.Hα-helixtrans-60.5-41.9176.7-68.1172.623.900111.8E345 D346 Y347 N352 H353E345-Q349 WeakPolarHBondContact O-CG 3.39Å; E345-Q349 PolarHBondContact O-N 2.98Å; E345-Q349 VanDerWaalsContact O-N 3.1Å; D346-Q349 PolarHBondContact O-N 3.2Å; Y347-Q349 PolarHBondContact O-N 3.37Å; Q349-N352 PolarHBondContact O-N 2.82Å; Q349-H353 PolarHBondContact O-N 2.88Å
350L92.9Very high92.4Very high56 Ų5652.4 Ų52.429%0.29325%0.245SC..Hα-helixtrans-66.8-41.7174.9-178.759.3000112.3L8 P9 D346 Y347 L348 N352 H353 E354L8-L350 HydrophobicContact CD2-CG 4.3Å; P9-L350 VanDerWaalsContact CD-CD2 3.48Å; P9-L350 HydrophobicContact CG-CD2 3.68Å; D346-L350 PolarHBondContact O-N 3.1Å; Y347-L350 PolarHBondContact O-N 3.38Å; L348-L350 VanDerWaalsContact C-N 3.32Å; L348-L350 PolarHBondContact O-N 3.37Å; L350-N352 VanDerWaalsContact C-N 3.33Å; L350-N352 PolarHBondContact O-N 2.79Å; L350-H353 PolarHBondContact O-N 3.15Å; L350-E354 HydrophobicContact CD1-CG 4.19Å; L350-E354 WeakPolarHBondContact O-CG 3.3Å; L350-E354 PolarHBondContact O-N 2.81Å
351V93.9Very high91.6Very high0 Ų053.2 Ų53.20%025%0.249CC..Hα-helixtrans-62.3-40.6175.8172.30000111.4L8 I55 F60 F64 V68 Y347 L348 Y355L8-V351 HydrophobicContact CD1-CG2 4.05Å; L8-V351 HydrophobicContact CD2-CG2 3.88Å; I55-V351 HydrophobicContact CD1-CB 4.5Å; I55-V351 HydrophobicContact CD1-CG1 4.33Å; I55-V351 HydrophobicContact CD1-CG2 4.27Å; F60-V351 HydrophobicContact CE1-CG1 4.34Å; F60-V351 HydrophobicContact CE2-CG1 3.72Å; F60-V351 HydrophobicContact CZ-CG1 3.56Å; F64-V351 HydrophobicContact CE1-CG1 3.74Å; F64-V351 HydrophobicContact CZ-CG1 4.3Å; V68-V351 HydrophobicContact CG1-CG2 4.44Å; V68-V351 HydrophobicContact CG2-CG1 3.7Å; V68-V351 HydrophobicContact CG2-CG2 4.4Å; Y347-V351 HydrophobicContact CD1-CG2 3.65Å; Y347-V351 HydrophobicContact CE1-CG2 3.38Å; Y347-V351 VanDerWaalsContact O-CG2 3.3Å; Y347-V351 WeakPolarHBondContact O-CG2 3.47Å; Y347-V351 PolarHBondContact O-N 3.02Å; L348-V351 PolarHBondContact O-N 3.25Å; V351-Y355 WeakPolarHBondContact O-CB 3.36Å; V351-Y355 PolarHBondContact O-N 2.82Å
352N94.2Very high90.4Very high58 Ų5858.1 Ų58.131%0.3127%0.27SS..Hα-helixtrans-65.3-43.5176.5-73.9-26.8000112.5F60 L348 Q349 L350 Y355 Q356F60-N352 WeakPolarHBondContact CZ-OD1 3.31Å; L348-N352 WeakPolarHBondContact O-CB 3.49Å; L348-N352 VanDerWaalsContact O-CG 3.29Å; L348-N352 PolarHBondContact O-N 2.89Å; L348-N352 PolarHBondContact O-ND2 3.02Å; Q349-N352 PolarHBondContact O-N 2.82Å; L350-N352 VanDerWaalsContact C-N 3.33Å; L350-N352 PolarHBondContact O-N 2.79Å; N352-Y355 PolarHBondContact O-N 2.89Å; N352-Q356 WeakPolarHBondContact O-CG 3.3Å; N352-Q356 PolarHBondContact O-N 2.96Å; N352-Q356 VanDerWaalsContact O-N 3.13Å
353H92.1Very high88.8Confident97 Ų9763.7 Ų63.745%0.44930%0.295SS..Hα-helixtrans-60.4-47.6175.7176-90.5000111.8Q349 L350 Y355 Q356 R357Q349-H353 PolarHBondContact O-N 2.88Å; L350-H353 PolarHBondContact O-N 3.15Å; H353-Y355 VanDerWaalsContact C-N 3.3Å; H353-Y355 PolarHBondContact O-N 2.79Å; H353-Q356 PolarHBondContact O-N 3.34Å; H353-R357 PolarHBondContact O-N 3.02Å
354E90.8Very high86.9Confident20 Ų2069.1 Ų69.19%0.09332%0.321CS..Hα-helixtrans-73.1-23.1179.5-61.1-63.798.600112.7F7 L8 L350 R357 W358F7-E354 HydrophobicContact CD2-CB 3.67Å; F7-E354 HydrophobicContact CD2-CG 3.73Å; F7-E354 WeakPolarHBondContact CD2-OE2 3.48Å; F7-E354 HydrophobicContact CE2-CB 3.48Å; F7-E354 VanDerWaalsContact CE2-CB 3.48Å; F7-E354 HydrophobicContact CE2-CG 4.1Å; L8-E354 HydrophobicContact CD2-CB 4.21Å; L8-E354 HydrophobicContact CD2-CG 4.09Å; L350-E354 HydrophobicContact CD1-CG 4.19Å; L350-E354 WeakPolarHBondContact O-CG 3.3Å; L350-E354 PolarHBondContact O-N 2.81Å; E354-R357 IonicContact OE1-CZ 3.44Å; E354-R357 IonicContact OE1-NH1 2.61Å; E354-R357 PolarHBondContact OE1-NH1 3.4Å; E354-R357 IonicContact OE2-CZ 3.21Å; E354-R357 IonicContact OE2-NH1 3.6Å; E354-R357 PolarHBondContact OE2-NH1 2.78Å; E354-W358 VanDerWaalsContact O-CB 3.28Å; E354-W358 WeakPolarHBondContact O-CB 3.33Å; E354-W358 PolarHBondContact O-N 2.9Å
355Y92.8Very high85Confident49 Ų4972.5 Ų72.519%0.19235%0.349CS..Hα-helixtrans-67.5-44.2170.9179.7-115.4000112.2F60 P61 F64 V351 N352 H353 R357 W358 E359F60-Y355 AromaticContact CD1-CD1 3.94Å; F60-Y355 HydrophobicContact CD1-CD1 3.94Å; F60-Y355 AromaticContact CD1-CD2 3.77Å; F60-Y355 HydrophobicContact CD1-CD2 3.77Å; F60-Y355 HydrophobicContact CD1-CE1 4.31Å; F60-Y355 HydrophobicContact CD1-CE2 4.15Å; F60-Y355 AromaticContact CD1-CG 3.66Å; F60-Y355 HydrophobicContact CD1-CG 3.66Å; F60-Y355 AromaticContact CE1-CD1 3.89Å; F60-Y355 HydrophobicContact CE1-CD1 3.89Å; F60-Y355 HydrophobicContact CE1-CD2 4.24Å; F60-Y355 AromaticContact CE1-CG 3.68Å; F60-Y355 HydrophobicContact CE1-CG 3.68Å; P61-Y355 VanDerWaalsContact CD-CE2 3.47Å; P61-Y355 VanDerWaalsContact CD-OH 3.22Å; P61-Y355 WeakPolarHBondContact CD-OH 3.44Å; P61-Y355 HydrophobicContact CG-CE2 4.02Å; P61-Y355 WeakPolarHBondContact CG-OH 3.4Å; F64-Y355 HydrophobicContact CB-CD2 4.26Å; F64-Y355 HydrophobicContact CB-CE2 4.39Å; F64-Y355 AromaticContact CD1-CD2 3.65Å; F64-Y355 HydrophobicContact CD1-CD2 3.65Å; F64-Y355 HydrophobicContact CD1-CE2 4.44Å; F64-Y355 HydrophobicContact CD1-CG 4.33Å; F64-Y355 AromaticContact CD2-CD2 3.9Å; F64-Y355 HydrophobicContact CD2-CD2 3.9Å; F64-Y355 AromaticContact CE1-CD2 3.86Å; F64-Y355 HydrophobicContact CE1-CD2 3.86Å; F64-Y355 HydrophobicContact CE1-CG 4.13Å; F64-Y355 HydrophobicContact CE2-CD2 4.11Å; F64-Y355 AromaticContact CG-CD2 3.66Å; F64-Y355 HydrophobicContact CG-CD2 3.66Å; F64-Y355 HydrophobicContact CG-CE2 4.27Å; F64-Y355 VanDerWaalsContact CZ-CA 3.47Å; F64-Y355 HydrophobicContact CZ-CD2 4.1Å; F64-Y355 HydrophobicContact CZ-CG 4.32Å; V351-Y355 WeakPolarHBondContact O-CB 3.36Å; V351-Y355 PolarHBondContact O-N 2.82Å; N352-Y355 PolarHBondContact O-N 2.89Å; H353-Y355 VanDerWaalsContact C-N 3.3Å; H353-Y355 PolarHBondContact O-N 2.79Å; Y355-R357 VanDerWaalsContact C-N 3.33Å; Y355-R357 PolarHBondContact O-N 3.11Å; Y355-W358 HydrophobicContact CD2-CE3 4.09Å; Y355-W358 AromaticContact CE2-CE3 3.83Å; Y355-W358 HydrophobicContact CE2-CE3 3.83Å; Y355-W358 HydrophobicContact CE2-CZ3 4.04Å; Y355-W358 PolarHBondContact O-N 3.02Å; Y355-W358 VanDerWaalsContact O-N 3.16Å; Y355-E359 HydrophobicContact CD2-CG 4.42Å; Y355-E359 HydrophobicContact CE1-CG 4.07Å; Y355-E359 HydrophobicContact CE2-CG 3.8Å; Y355-E359 PolarHBondContact O-N 3.48Å; Y355-E359 PolarHBondContact OH-OE2 2.99Å
356Q91.5Very high82.9Confident121 Ų12180.4 Ų80.457%0.56538%0.376SS*.Hα-helixtrans-57.1-48.9175.9-71.2170.1-18.400110.6N352 H353 W358 E359 E360N352-Q356 WeakPolarHBondContact O-CG 3.3Å; N352-Q356 PolarHBondContact O-N 2.96Å; N352-Q356 VanDerWaalsContact O-N 3.13Å; H353-Q356 PolarHBondContact O-N 3.34Å; Q356-W358 VanDerWaalsContact C-N 3.33Å; Q356-W358 PolarHBondContact O-N 3.39Å; Q356-E359 PolarHBondContact O-N 2.6Å; Q356-E360 WeakPolarHBondContact O-CG 3.3Å; Q356-E360 PolarHBondContact O-N 3.13Å
357R88.3Confident80.7Confident101 Ų10183.4 Ų83.438%0.38140%0.404SS..Hα-helixtrans-62.4-36.2176-67.4179.556.9-126-19.7113.4H353 E354 Y355 E360 D361H353-R357 PolarHBondContact O-N 3.02Å; E354-R357 IonicContact OE1-CZ 3.44Å; E354-R357 IonicContact OE1-NH1 2.61Å; E354-R357 PolarHBondContact OE1-NH1 3.4Å; E354-R357 IonicContact OE2-CZ 3.21Å; E354-R357 IonicContact OE2-NH1 3.6Å; E354-R357 PolarHBondContact OE2-NH1 2.78Å; Y355-R357 VanDerWaalsContact C-N 3.33Å; Y355-R357 PolarHBondContact O-N 3.11Å; R357-E360 PolarHBondContact O-N 3.14Å; R357-D361 WeakPolarHBondContact O-CB 3.44Å; R357-D361 PolarHBondContact O-N 2.65Å
358W87.4Confident78.3Confident65 Ų6586.7 Ų86.725%0.24643%0.432CS..Hα-helixtrans-67.9-35.6177.7-178.984.5000112.9P61 A63 F64 E354 Y355 Q356 K362P61-W358 HydrophobicContact CG-CZ3 4.34Å; A63-W358 HydrophobicContact CB-CH2 4.35Å; A63-W358 HydrophobicContact CB-CZ2 4.16Å; F64-W358 HydrophobicContact CB-CD2 4.49Å; F64-W358 HydrophobicContact CB-CE3 4.31Å; F64-W358 HydrophobicContact CB-CH2 4.43Å; F64-W358 HydrophobicContact CB-CZ3 4.29Å; F64-W358 HydrophobicContact CD2-CB 4.04Å; F64-W358 AromaticContact CD2-CD2 3.76Å; F64-W358 HydrophobicContact CD2-CD2 3.76Å; F64-W358 HydrophobicContact CD2-CE3 4.09Å; F64-W358 AromaticContact CD2-CG 3.73Å; F64-W358 HydrophobicContact CD2-CG 3.73Å; F64-W358 HydrophobicContact CE2-CB 3.93Å; F64-W358 HydrophobicContact CE2-CG 4.09Å; E354-W358 VanDerWaalsContact O-CB 3.28Å; E354-W358 WeakPolarHBondContact O-CB 3.33Å; E354-W358 PolarHBondContact O-N 2.9Å; Y355-W358 HydrophobicContact CD2-CE3 4.09Å; Y355-W358 AromaticContact CE2-CE3 3.83Å; Y355-W358 HydrophobicContact CE2-CE3 3.83Å; Y355-W358 HydrophobicContact CE2-CZ3 4.04Å; Y355-W358 PolarHBondContact O-N 3.02Å; Y355-W358 VanDerWaalsContact O-N 3.16Å; Q356-W358 VanDerWaalsContact C-N 3.33Å; Q356-W358 PolarHBondContact O-N 3.39Å; W358-K362 HydrophobicContact CH2-CD 4.4Å; W358-K362 HydrophobicContact CZ3-CD 4.43Å; W358-K362 WeakPolarHBondContact O-CB 3.37Å; W358-K362 PolarHBondContact O-N 3.38Å
359E86.9Confident75.6Confident49 Ų4994.4 Ų94.423%0.22947%0.467CS..Hα-helixtrans-71.7-41171.4-66.7-72.157.600111.6Y355 Q356 K362 E363Y355-E359 HydrophobicContact CD2-CG 4.42Å; Y355-E359 HydrophobicContact CE1-CG 4.07Å; Y355-E359 HydrophobicContact CE2-CG 3.8Å; Y355-E359 PolarHBondContact O-N 3.48Å; Y355-E359 PolarHBondContact OH-OE2 2.99Å; Q356-E359 PolarHBondContact O-N 2.6Å; E359-K362 WeakPolarHBondContact O-CB 3.39Å; E359-K362 PolarHBondContact O-N 2.71Å; E359-K362 VanDerWaalsContact O-N 3.14Å; E359-K362 WeakPolarHBondContact OE1-CD 3.35Å; E359-K362 WeakPolarHBondContact OE1-CE 3.15Å; E359-K362 IonicContact OE1-NZ 3.21Å; E359-K362 PolarHBondContact OE1-NZ 2.95Å; E359-K362 IonicContact OE2-NZ 2.88Å; E359-K362 PolarHBondContact OE2-NZ 3.32Å; E359-E363 PolarHBondContact O-N 2.93Å
360E83.7Confident73.3Confident107 Ų10793.8 Ų93.850%0.547%0.473SS..Hα-helixtrans-59-46.9174.9-74.9174.5-17300112.4Q356 R357 K362 E363 Q364Q356-E360 WeakPolarHBondContact O-CG 3.3Å; Q356-E360 PolarHBondContact O-N 3.13Å; R357-E360 PolarHBondContact O-N 3.14Å; E360-K362 PolarHBondContact O-N 2.83Å; E360-E363 PolarHBondContact O-N 3.31Å; E360-Q364 WeakPolarHBondContact O-CB 3.48Å; E360-Q364 WeakPolarHBondContact O-CG 3.42Å; E360-Q364 PolarHBondContact O-N 2.86Å; E360-Q364 PolarHBondContact O-NE2 3.25Å
361D76.5Confident70.8Confident95 Ų9599.5 Ų99.551%0.50850%0.499SS..Hα-helixtrans-61.2-33.7175.8-81.7-20000111.6R357 A365R357-D361 WeakPolarHBondContact O-CB 3.44Å; R357-D361 PolarHBondContact O-N 2.65Å; D361-A365 VanDerWaalsContact O-CB 3.24Å; D361-A365 WeakPolarHBondContact O-CB 3.43Å; D361-A365 PolarHBondContact O-N 2.82Å
362K69.6Low68.2Low107 Ų107110.8 Ų110.847%0.46554%0.541SS..Hα-helixtrans-73.2-41.9179.7179-176.5121.5-150.90112.3W358 E359 E360 A365 W366W358-K362 HydrophobicContact CH2-CD 4.4Å; W358-K362 HydrophobicContact CZ3-CD 4.43Å; W358-K362 WeakPolarHBondContact O-CB 3.37Å; W358-K362 PolarHBondContact O-N 3.38Å; E359-K362 WeakPolarHBondContact O-CB 3.39Å; E359-K362 PolarHBondContact O-N 2.71Å; E359-K362 VanDerWaalsContact O-N 3.14Å; E359-K362 WeakPolarHBondContact OE1-CD 3.35Å; E359-K362 WeakPolarHBondContact OE1-CE 3.15Å; E359-K362 IonicContact OE1-NZ 3.21Å; E359-K362 PolarHBondContact OE1-NZ 2.95Å; E359-K362 IonicContact OE2-NZ 2.88Å; E359-K362 PolarHBondContact OE2-NZ 3.32Å; E360-K362 PolarHBondContact O-N 2.83Å; K362-A365 PolarHBondContact O-N 2.89Å; K362-W366 PolarHBondContact O-N 3.47Å; K362-W366 VanDerWaalsContact O-N 3.16Å
363E61.8Low65.6Low149 Ų149113.5 Ų113.570%0.69656%0.562SS**Hα-helixtrans-67-41.7172.9-67.7-161.7152.500111.5E359 E360 A365 W366 A367E359-E363 PolarHBondContact O-N 2.93Å; E360-E363 PolarHBondContact O-N 3.31Å; E363-A365 VanDerWaalsContact C-N 3.33Å; E363-A365 PolarHBondContact O-N 3.06Å; E363-W366 WeakPolarHBondContact O-CB 3.35Å; E363-W366 PolarHBondContact O-N 3.09Å; E363-W366 VanDerWaalsContact O-N 3.1Å; E363-A367 PolarHBondContact O-N 2.71Å
364Q56.8Low63Low114 Ų114114.5 Ų114.553%0.53358%0.577SS.*Hα-helixtrans-63.2-37.3175.7-72170.86800112.3E360 W366 A367 A368E360-Q364 WeakPolarHBondContact O-CB 3.48Å; E360-Q364 WeakPolarHBondContact O-CG 3.42Å; E360-Q364 PolarHBondContact O-N 2.86Å; E360-Q364 PolarHBondContact O-NE2 3.25Å; Q364-W366 VanDerWaalsContact C-N 3.31Å; Q364-W366 PolarHBondContact O-N 3.2Å; Q364-A367 PolarHBondContact O-N 3Å; Q364-A368 VanDerWaalsContact O-CB 3.23Å; Q364-A368 WeakPolarHBondContact O-CB 3.46Å; Q364-A368 PolarHBondContact O-N 2.61Å
365A54.8Low60.7Low76 Ų76119.4 Ų119.463%0.62861%0.611SS**Hα-helixtrans-67.1-29.1173.300000113.3D361 K362 E363D361-A365 VanDerWaalsContact O-CB 3.24Å; D361-A365 WeakPolarHBondContact O-CB 3.43Å; D361-A365 PolarHBondContact O-N 2.82Å; K362-A365 PolarHBondContact O-N 2.89Å; E363-A365 VanDerWaalsContact C-N 3.33Å; E363-A365 PolarHBondContact O-N 3.06Å
366W49.2Very low57.9Low245 Ų245125.7 Ų125.793%0.92864%0.64SS**Hα-helixtrans-76.2-27.7173.3-162.5-91.6000112.4K362 E363 Q364K362-W366 PolarHBondContact O-N 3.47Å; K362-W366 VanDerWaalsContact O-N 3.16Å; E363-W366 WeakPolarHBondContact O-CB 3.35Å; E363-W366 PolarHBondContact O-N 3.09Å; E363-W366 VanDerWaalsContact O-N 3.1Å; Q364-W366 VanDerWaalsContact C-N 3.31Å; Q364-W366 PolarHBondContact O-N 3.2Å
367A49.3Very low55.1Low90 Ų90123.9 Ų123.974%0.74464%0.64SS**SBendtrans-85.6-5.4179.900000115.1E363 Q364E363-A367 PolarHBondContact O-N 2.71Å; Q364-A367 PolarHBondContact O-N 3Å
368A43.6Very low53Low70 Ų70124.6 Ų124.658%0.57966%0.656SS**  trans-122.296-163.200000116Q364Q364-A368 VanDerWaalsContact O-CB 3.23Å; Q364-A368 WeakPolarHBondContact O-CB 3.46Å; Q364-A368 PolarHBondContact O-N 2.61Å
369Q37.4Very low50.4Low190 Ų190125.5 Ų125.589%0.88867%0.672SS**  trans-143.3142.9149.9-91.1-160.60.700110.8
370P45.3Very low48.2Very low110 Ų110128.8 Ų128.871%0.71469%0.687SS**SBendcis-109.4-171.3-31.636.4-23.1000111.3
371Q41.1Very low46.1Very low176 Ų176130.9 Ų130.982%0.82270%0.701SS**  trans70.369.7172.8-49.5-58.5-12.800117.6
372R39.2Very low44.2Very low237 Ų237130.9 Ų130.989%0.89471%0.708SS**  trans-126.1141.6138-85.1-174.9171.4168.5-1.8109.6
373P38.7Very low42.9Very low115 Ų115132.1 Ų132.175%0.74772%0.719SS**PPolyproline II helixtrans-63.6155.1166.529.7-34.4000110
374P37.8Very low42.1Very low118 Ų118127.7 Ų127.777%0.76670%0.7SS**PPolyproline II helixtrans-63.9138.2-173.725.8-34.7000112
375P42.5Very low41.9Very low124 Ų124126.6 Ų126.681%0.80570%0.695SS**PPolyproline II helixtrans-67.9160.9173.429.4-34.4000111.8
376F34.9Very low42.2Very low181 Ų181127.8 Ų127.879%0.79469%0.69SS**PPolyproline II helixtrans-61.2141.4-172.6-90.9-111.5000113.8
377S33Very low43.2Very low83 Ų83125.4 Ų125.458%0.5868%0.68SS**PPolyproline II helixtrans-76.7127.1167.7-1800000110.8S379S377-S379 PolarHBondContact O-N 3.31Å; S377-S379 VanDerWaalsContact O-N 3.11Å; S377-S379 PolarHBondContact OG-OG 3.25Å
378V43.3Very low44.6Very low116 Ų116121.5 Ų121.570%0.70365%0.648SS**G310 helixtrans-71.5-4.6-175.6-1610000112.9Q380 L381V378-Q380 PolarHBondContact O-N 3.4Å; V378-L381 HydrophobicContact CG1-CD1 4.33Å
379S33.8Very low46.3Very low83 Ų83121 Ų12158%0.5864%0.643SS**G310 helixtrans-64.4-3.7179.4-54.40000115.5S377S377-S379 PolarHBondContact O-N 3.31Å; S377-S379 VanDerWaalsContact O-N 3.11Å; S377-S379 PolarHBondContact OG-OG 3.25Å
380Q40Very low48.5Very low119 Ų119113.7 Ų113.756%0.55661%0.612SS**G310 helixtrans-105.411.6-173.5-76.2-170.6-26.500116.2V378 S382V378-Q380 PolarHBondContact O-N 3.4Å; Q380-S382 PolarHBondContact O-N 2.85Å
381L40.2Very low49.5Very low151 Ų151114 Ų11479%0.79161%0.614SS**  trans-71.934.4169.9-74.3172.1000114.3V378 L383V378-L381 HydrophobicContact CG1-CD1 4.33Å; L381-L383 PolarHBondContact O-N 3.37Å
382S35.1Very low50.7Low94 Ų94117.8 Ų117.866%0.65762%0.621SS**  trans-83.286.4166.6-66.80000109.5Q380 I384Q380-S382 PolarHBondContact O-N 2.85Å; S382-I384 PolarHBondContact O-N 3.18Å
383L42.8Very low52.2Low133 Ų133107.8 Ų107.870%0.69659%0.586SS**  trans-53.5109.6173.9-77.8165.8000110.8L381 E385L381-L383 PolarHBondContact O-N 3.37Å; L383-E385 PolarHBondContact O-N 3.5Å
384I44.7Very low53.7Low56 Ų56107.8 Ų107.829%0.28759%0.585SS.*  trans-69.5112.4167.9-65.5-177.7000107S382 I386 V399S382-I384 PolarHBondContact O-N 3.18Å; I384-I386 HydrophobicContact CG2-CB 3.92Å; I384-I386 HydrophobicContact CG2-CD1 3.67Å; I384-I386 HydrophobicContact CG2-CG1 3.66Å; I384-I386 PolarHBondContact O-N 3.1Å; I384-V399 HydrophobicContact CD1-CB 4.48Å; I384-V399 HydrophobicContact CD1-CG1 4.49Å; I384-V399 HydrophobicContact CD1-CG2 3.91Å
385E52.7Low55.2Low92 Ų92107.5 Ų107.543%0.4357%0.571SS.*  trans-70.828.8-176.4-72.2179.3-141.100113.9L383 Y396 S692 K712L383-E385 PolarHBondContact O-N 3.5Å; E385-Y396 HydrophobicContact CB-CE1 4.33Å; E385-S692 PolarHBondContact OE2-OG 3.48Å; E385-K712 IonicContact OE1-NZ 3.74Å; E385-K712 PolarHBondContact OE1-NZ 3.49Å
386I62.6Low56.8Low101 Ų101106.6 Ų106.652%0.51855%0.553SS.*PPolyproline II helixtrans-96.3129.6173.7-58.2174.1000109.3I384 Y396 V397I384-I386 HydrophobicContact CG2-CB 3.92Å; I384-I386 HydrophobicContact CG2-CD1 3.67Å; I384-I386 HydrophobicContact CG2-CG1 3.66Å; I384-I386 PolarHBondContact O-N 3.1Å; I386-Y396 CarbonylContact O-C 3.45Å; I386-Y396 VanDerWaalsContact O-CA 3.32Å; I386-Y396 WeakPolarHBondContact O-CA 3.42Å; I386-Y396 WeakPolarHBondContact O-CD1 3.27Å; I386-V397 HydrophobicContact CB-CB 4.5Å; I386-V397 HydrophobicContact CB-CG2 4.36Å; I386-V397 HydrophobicContact CG2-CG2 3.96Å; I386-V397 PolarHBondContact O-N 2.94Å
387R68.6Low58.4Low194 Ų19498.4 Ų98.473%0.73252%0.518SS*.BIsolated β-bridgetrans-75144.5-180-66.7-176.9179177.8-0.2112.2A389 V397R387-A389 PolarHBondContact O-N 3.43Å; R387-V397 WeakPolarHBondContact O-CG2 3.26Å
388C78.8Confident59.9Low9 Ų996.2 Ų96.26%0.06150%0.502CS..PPolyproline II helixtrans-57.3134173.2173.80000112T390 C393 F395 C405C388-T390 PolarHBondContact O-N 3.02Å; C388-T390 VanDerWaalsContact O-N 3.07Å; C388-T390 PolarHBondContact SG-N 3.2Å; C388-T390 VanDerWaalsContact SG-N 3.41Å; C388-C393 HydrophobicContact CB-CB 4.12Å; C388-F395 VanDerWaalsContact CB-O 3.24Å; C388-F395 WeakPolarHBondContact CB-O 3.16Å; C388-F395 PolarHBondContact N-O 3.48Å; C388-C405 HydrophobicContact CB-CB 4.08Å; C388-C405 PolarHBondContact SG-N 2.85Å
389A80.3Confident60.6Low59 Ų5994.1 Ų94.149%0.48849%0.489SS..SBendtrans-71.67.7178.300000115.3R387 P403R387-A389 PolarHBondContact O-N 3.43Å; A389-P403 HydrophobicContact CB-CB 4.04Å; A389-P403 HydrophobicContact CB-CG 3.96Å; A389-P403 VanDerWaalsContact CB-O 3.3Å; A389-P403 WeakPolarHBondContact CB-O 3.37Å; A389-P403 PolarHBondContact N-O 3.25Å
390T82.6Confident61.7Low37 Ų3795.4 Ų95.423%0.22749%0.49CS..SBendtrans-85.6125172.8-63.30000109.7C388 R392 C393 C408 R412C388-T390 PolarHBondContact O-N 3.02Å; C388-T390 VanDerWaalsContact O-N 3.07Å; C388-T390 PolarHBondContact SG-N 3.2Å; C388-T390 VanDerWaalsContact SG-N 3.41Å; T390-R392 PolarHBondContact O-N 3.3Å; T390-C393 HydrophobicContact CG2-CB 4.35Å; T390-C393 WeakPolarHBondContact O-CB 3.49Å; T390-C393 PolarHBondContact O-N 2.74Å; T390-C408 WeakPolarHBondContact OG1-CB 3.47Å; T390-C408 PolarHBondContact OG1-SG 3.43Å; T390-R412 PolarHBondContact OG1-NH2 3.32Å
391P67.1Low63.3Low116 Ų11690 Ų9075%0.75347%0.465SS*.THydrogen-bonded Turntrans-53.3135.6178.8-2835.7000112.9C393P391-C393 PolarHBondContact O-N 3.16Å; P391-C393 VanDerWaalsContact O-N 3.17Å
392R65.8Low64.7Low256 Ų25688.5 Ų88.597%0.96645%0.454SS*.THydrogen-bonded Turntrans63.44.3-176.7-52.5-179.4-179.21750.9116T390T390-R392 PolarHBondContact O-N 3.3Å
393C71.4Confident66.4Low26 Ų2687.5 Ų87.518%0.17645%0.445CS..  trans-70.9129.4168.4-173.30000110.5C388 T390 P391 C405 C408C388-C393 HydrophobicContact CB-CB 4.12Å; T390-C393 HydrophobicContact CG2-CB 4.35Å; T390-C393 WeakPolarHBondContact O-CB 3.49Å; T390-C393 PolarHBondContact O-N 2.74Å; P391-C393 PolarHBondContact O-N 3.16Å; P391-C393 VanDerWaalsContact O-N 3.17Å; C393-C405 VanDerWaalsContact SG-SG 3.68Å; C393-C408 VanDerWaalsContact SG-SG 3.62Å
394T70.4Confident68.1Low116 Ų11682 Ų8271%0.71242%0.416SS*.  trans-92.1-10.4177.547.90000113.3
395F69.4Low69.9Low111 Ų11179.7 Ų79.749%0.48741%0.405SS..SBendtrans-81.5157.5-176.3-59.9-70.4000113.3C388 C405C388-F395 VanDerWaalsContact CB-O 3.24Å; C388-F395 WeakPolarHBondContact CB-O 3.16Å; C388-F395 PolarHBondContact N-O 3.48Å; F395-C405 HydrophobicContact CB-CB 3.79Å
396Y74.9Confident71.1Confident105 Ų10580.3 Ų80.341%0.41241%0.407SS..BIsolated β-bridgetrans-85.9158.1178-66.9-83.9000112E385 I386 C405E385-Y396 HydrophobicContact CB-CE1 4.33Å; I386-Y396 CarbonylContact O-C 3.45Å; I386-Y396 VanDerWaalsContact O-CA 3.32Å; I386-Y396 WeakPolarHBondContact O-CA 3.42Å; I386-Y396 WeakPolarHBondContact O-CD1 3.27Å; Y396-C405 WeakPolarHBondContact O-CA 3.49Å; Y396-C405 WeakPolarHBondContact O-CB 3.44Å
397V69.9Low71.7Confident10 Ų1079.4 Ų79.46%0.06140%0.401CS..PPolyproline II helixtrans-67.8134.7178.4173.60000110.7I386 R387 Q402 P403 H404I386-V397 HydrophobicContact CB-CB 4.5Å; I386-V397 HydrophobicContact CB-CG2 4.36Å; I386-V397 HydrophobicContact CG2-CG2 3.96Å; I386-V397 PolarHBondContact O-N 2.94Å; R387-V397 WeakPolarHBondContact O-CG2 3.26Å; V397-Q402 HydrophobicContact CG1-CB 4.03Å; V397-Q402 HydrophobicContact CG1-CG 3.7Å; V397-P403 WeakPolarHBondContact CG2-O 3.28Å; V397-H404 WeakPolarHBondContact CA-O 3.34Å
398S63.1Low72.2Confident37 Ų3771 Ų7126%0.25937%0.372SS..PPolyproline II helixtrans-81.8149.4168-156.70000110.5D400 T401 Q402 H404S398-D400 PolarHBondContact O-N 2.87Å; S398-D400 VanDerWaalsContact O-N 3.16Å; S398-D400 PolarHBondContact OG-OD2 3.45Å; S398-T401 VanDerWaalsContact CB-OG1 3.24Å; S398-T401 WeakPolarHBondContact CB-OG1 3.38Å; S398-T401 PolarHBondContact O-N 2.71Å; S398-Q402 WeakPolarHBondContact O-CG 3.5Å; S398-H404 PolarHBondContact N-O 3.33Å; S398-H404 VanDerWaalsContact N-O 3.12Å
399V59.1Low72.4Confident71 Ų7174 Ų7443%0.4338%0.384SS..THydrogen-bonded Turntrans-53.9-38.4179.5-163.40000111.4I384 Q402I384-V399 HydrophobicContact CD1-CB 4.48Å; I384-V399 HydrophobicContact CD1-CG1 4.49Å; I384-V399 HydrophobicContact CD1-CG2 3.91Å; V399-Q402 WeakPolarHBondContact O-CG 3.43Å; V399-Q402 PolarHBondContact O-NE2 3.04Å
400D55.6Low72.4Confident110 Ų11076.3 Ų76.359%0.58838%0.384SS*.THydrogen-bonded Turntrans-94-11.5-170.7-31.1-84.5000113.7S398S398-D400 PolarHBondContact O-N 2.87Å; S398-D400 VanDerWaalsContact O-N 3.16Å; S398-D400 PolarHBondContact OG-OD2 3.45Å
401T74.5Confident72.1Confident6 Ų680.5 Ų80.54%0.03740%0.4CS..SBendtrans-122.423.7-172.767.40000113.2S398 H404 F409S398-T401 VanDerWaalsContact CB-OG1 3.24Å; S398-T401 WeakPolarHBondContact CB-OG1 3.38Å; S398-T401 PolarHBondContact O-N 2.71Å; T401-H404 WeakPolarHBondContact O-CA 3.38Å; T401-H404 WeakPolarHBondContact O-CB 3.5Å; T401-H404 PolarHBondContact O-N 3.46Å; T401-H404 VanDerWaalsContact O-O 3.1Å; T401-H404 PolarHBondContact OG1-O 3.01Å; T401-F409 HydrophobicContact CG2-CB 4.06Å; T401-F409 HydrophobicContact CG2-CD1 3.47Å; T401-F409 VanDerWaalsContact CG2-CD1 3.47Å; T401-F409 HydrophobicContact CG2-CE1 4.07Å; T401-F409 HydrophobicContact CG2-CG 3.89Å
402Q69Low72.4Confident120 Ų12080 Ų8056%0.56138%0.383SS*.THydrogen-bonded Turntrans-57.9141-175.4-49.6-162.915.600112.1V397 S398 V399V397-Q402 HydrophobicContact CG1-CB 4.03Å; V397-Q402 HydrophobicContact CG1-CG 3.7Å; S398-Q402 WeakPolarHBondContact O-CG 3.5Å; V399-Q402 WeakPolarHBondContact O-CG 3.43Å; V399-Q402 PolarHBondContact O-NE2 3.04Å
403P70.9Confident72.7Confident72 Ų7273.2 Ų73.247%0.46836%0.362SS..THydrogen-bonded Turncis-9235.40.638-38.5000114.2A389 V397A389-P403 HydrophobicContact CB-CB 4.04Å; A389-P403 HydrophobicContact CB-CG 3.96Å; A389-P403 VanDerWaalsContact CB-O 3.3Å; A389-P403 WeakPolarHBondContact CB-O 3.37Å; A389-P403 PolarHBondContact N-O 3.25Å; V397-P403 WeakPolarHBondContact CG2-O 3.28Å
404H78.3Confident72.4Confident19 Ų1976.2 Ų76.29%0.08839%0.388CS..SBendtrans-120.2159.5-174.5-51.397.7000113.1V397 S398 T401 C408 F409 R412V397-H404 WeakPolarHBondContact CA-O 3.34Å; S398-H404 PolarHBondContact N-O 3.33Å; S398-H404 VanDerWaalsContact N-O 3.12Å; T401-H404 WeakPolarHBondContact O-CA 3.38Å; T401-H404 WeakPolarHBondContact O-CB 3.5Å; T401-H404 PolarHBondContact O-N 3.46Å; T401-H404 VanDerWaalsContact O-O 3.1Å; T401-H404 PolarHBondContact OG1-O 3.01Å; H404-C408 HydrophobicContact CB-CB 4.28Å; H404-F409 HydrophobicContact CB-CB 4.21Å; H404-R412 PolarHBondContact CD2-NH2 3.13Å; H404-R412 VanDerWaalsContact CD2-NH2 3.35Å; H404-R412 PolarHBondContact CE1-NH1 2.83Å; H404-R412 PolarHBondContact NE2-NH1 3.19Å; H404-R412 VanDerWaalsContact NE2-NH1 3.14Å; H404-R412 PolarHBondContact NE2-NH2 3.27Å
405C82.7Confident71.9Confident7 Ų776.3 Ų76.35%0.04739%0.389CS..  trans-73.4158.9161.273.30000109.8C388 C393 F395 Y396 E407 C408 F409C388-C405 HydrophobicContact CB-CB 4.08Å; C388-C405 PolarHBondContact SG-N 2.85Å; C393-C405 VanDerWaalsContact SG-SG 3.68Å; F395-C405 HydrophobicContact CB-CB 3.79Å; Y396-C405 WeakPolarHBondContact O-CA 3.49Å; Y396-C405 WeakPolarHBondContact O-CB 3.44Å; C405-E407 PolarHBondContact O-N 2.86Å; C405-C408 PolarHBondContact O-N 3.18Å; C405-C408 VanDerWaalsContact O-N 3.13Å; C405-C408 VanDerWaalsContact SG-CB 3.5Å; C405-C408 PolarHBondContact SG-N 3.42Å; C405-F409 PolarHBondContact O-N 3.02Å
406H77.8Confident71.3Confident104 Ų10476 Ų7648%0.48140%0.396SS..Hα-helixtrans-53.3-52.9-175.1-154.783000112.2C408 F409 E410H406-C408 VanDerWaalsContact C-N 3.32Å; H406-C408 PolarHBondContact O-N 2.97Å; H406-F409 WeakPolarHBondContact O-CA 3.18Å; H406-F409 WeakPolarHBondContact O-CB 3.43Å; H406-F409 PolarHBondContact O-N 3.07Å; H406-E410 IonicContact CD2-OE2 3.7Å; H406-E410 PolarHBondContact O-N 3.29Å
407E76.1Confident70Confident83 Ų8374.3 Ų74.339%0.38841%0.411SS..Hα-helixtrans-58.8-38179-167.3-159.4159.400113.2C405 K411C405-E407 PolarHBondContact O-N 2.86Å; E407-K411 HydrophobicContact CG-CD 4.27Å; E407-K411 VanDerWaalsContact O-CB 3.29Å; E407-K411 WeakPolarHBondContact O-CB 3.46Å; E407-K411 VanDerWaalsContact O-CG 3.25Å; E407-K411 WeakPolarHBondContact O-CG 3.48Å; E407-K411 PolarHBondContact O-N 2.92Å; E407-K411 WeakPolarHBondContact OE1-CE 3.49Å; E407-K411 IonicContact OE1-NZ 2.88Å; E407-K411 PolarHBondContact OE1-NZ 3.34Å
408C78.6Confident68.7Low18 Ų1877.8 Ų77.812%0.12245%0.449CS..Hα-helixtrans-73.9-29.7176.2-81.40000113T390 C393 H404 C405 H406 R412T390-C408 WeakPolarHBondContact OG1-CB 3.47Å; T390-C408 PolarHBondContact OG1-SG 3.43Å; C393-C408 VanDerWaalsContact SG-SG 3.62Å; H404-C408 HydrophobicContact CB-CB 4.28Å; C405-C408 PolarHBondContact O-N 3.18Å; C405-C408 VanDerWaalsContact O-N 3.13Å; C405-C408 VanDerWaalsContact SG-CB 3.5Å; C405-C408 PolarHBondContact SG-N 3.42Å; H406-C408 VanDerWaalsContact C-N 3.32Å; H406-C408 PolarHBondContact O-N 2.97Å; C408-R412 WeakPolarHBondContact O-CB 3.31Å; C408-R412 PolarHBondContact O-N 2.88Å; C408-R412 VanDerWaalsContact O-N 3.16Å
409F83.1Confident67.4Low72 Ų7279 Ų7932%0.31647%0.467SS..Hα-helixtrans-72.6-46.3175.1-177.2-112.3000110.7T401 H404 C405 H406 R412 Q413T401-F409 HydrophobicContact CG2-CB 4.06Å; T401-F409 HydrophobicContact CG2-CD1 3.47Å; T401-F409 VanDerWaalsContact CG2-CD1 3.47Å; T401-F409 HydrophobicContact CG2-CE1 4.07Å; T401-F409 HydrophobicContact CG2-CG 3.89Å; H404-F409 HydrophobicContact CB-CB 4.21Å; C405-F409 PolarHBondContact O-N 3.02Å; H406-F409 WeakPolarHBondContact O-CA 3.18Å; H406-F409 WeakPolarHBondContact O-CB 3.43Å; H406-F409 PolarHBondContact O-N 3.07Å; F409-R412 PolarHBondContact O-N 3.41Å; F409-Q413 HydrophobicContact CE1-CG 4.37Å; F409-Q413 HydrophobicContact CZ-CG 4.37Å; F409-Q413 PolarHBondContact O-N 3.08Å
410E80.8Confident66.1Low106 Ų10680.4 Ų80.450%0.49549%0.486SS..Hα-helixtrans-60.3-47.5173.4-69.4-175.6115.300112H406 R412 Q413 A414H406-E410 IonicContact CD2-OE2 3.7Å; H406-E410 PolarHBondContact O-N 3.29Å; E410-R412 PolarHBondContact O-N 3.22Å; E410-Q413 PolarHBondContact O-N 3.36Å; E410-A414 WeakPolarHBondContact O-CB 3.3Å; E410-A414 PolarHBondContact O-N 3.42Å
411K76.6Confident65.2Low126 Ų12686.1 Ų86.155%0.54850%0.5SS..Hα-helixtrans-60.1-31.1175.6-76.5173.5175.1177.20113E407 T415E407-K411 HydrophobicContact CG-CD 4.27Å; E407-K411 VanDerWaalsContact O-CB 3.29Å; E407-K411 WeakPolarHBondContact O-CB 3.46Å; E407-K411 VanDerWaalsContact O-CG 3.25Å; E407-K411 WeakPolarHBondContact O-CG 3.48Å; E407-K411 PolarHBondContact O-N 2.92Å; E407-K411 WeakPolarHBondContact OE1-CE 3.49Å; E407-K411 IonicContact OE1-NZ 2.88Å; E407-K411 PolarHBondContact OE1-NZ 3.34Å; K411-T415 PolarHBondContact O-N 3.03Å; K411-T415 PolarHBondContact O-OG1 3.49Å
412R73.3Confident63.2Low105 Ų10593.7 Ų93.740%0.39654%0.538SS..Hα-helixtrans-78.6-37.9175-162.4176.2-61.3-171.47.6112.6T390 H404 C408 F409 E410 A414 T415 T416T390-R412 PolarHBondContact OG1-NH2 3.32Å; H404-R412 PolarHBondContact CD2-NH2 3.13Å; H404-R412 VanDerWaalsContact CD2-NH2 3.35Å; H404-R412 PolarHBondContact CE1-NH1 2.83Å; H404-R412 PolarHBondContact NE2-NH1 3.19Å; H404-R412 VanDerWaalsContact NE2-NH1 3.14Å; H404-R412 PolarHBondContact NE2-NH2 3.27Å; C408-R412 WeakPolarHBondContact O-CB 3.31Å; C408-R412 PolarHBondContact O-N 2.88Å; C408-R412 VanDerWaalsContact O-N 3.16Å; F409-R412 PolarHBondContact O-N 3.41Å; E410-R412 PolarHBondContact O-N 3.22Å; R412-A414 VanDerWaalsContact C-N 3.35Å; R412-T415 WeakPolarHBondContact CA-OG1 3.4Å; R412-T415 PolarHBondContact O-N 3.44Å; R412-T415 PolarHBondContact O-OG1 3.35Å; R412-T416 WeakPolarHBondContact O-CB 3.41Å; R412-T416 PolarHBondContact O-N 3.38Å; R412-T416 PolarHBondContact O-OG1 3.48Å
413Q71.8Confident61.5Low114 Ų11496 Ų9653%0.53355%0.549SS..Hα-helixtrans-61.3-44.3169.8-75.2-164.789.600110.8F409 E410 T415 T416 G417F409-Q413 HydrophobicContact CE1-CG 4.37Å; F409-Q413 HydrophobicContact CZ-CG 4.37Å; F409-Q413 PolarHBondContact O-N 3.08Å; E410-Q413 PolarHBondContact O-N 3.36Å; Q413-T415 PolarHBondContact O-N 3Å; Q413-T416 PolarHBondContact O-N 3.22Å; Q413-T416 VanDerWaalsContact O-N 3.07Å; Q413-G417 WeakPolarHBondContact O-CA 3.21Å; Q413-G417 PolarHBondContact O-N 3.29Å
414A65.4Low59.5Low88 Ų8896.1 Ų96.173%0.72756%0.564SS**Hα-helixtrans-63.8-24.6177.200000114E410 R412E410-A414 WeakPolarHBondContact O-CB 3.3Å; E410-A414 PolarHBondContact O-N 3.42Å; R412-A414 VanDerWaalsContact C-N 3.35Å
415T59.1Low57Low118 Ų118101.9 Ų101.972%0.72460%0.6SS**Hα-helixtrans-91.9-14.1172.833.10000114.1K411 R412 Q413K411-T415 PolarHBondContact O-N 3.03Å; K411-T415 PolarHBondContact O-OG1 3.49Å; R412-T415 WeakPolarHBondContact CA-OG1 3.4Å; R412-T415 PolarHBondContact O-N 3.44Å; R412-T415 PolarHBondContact O-OG1 3.35Å; Q413-T415 PolarHBondContact O-N 3Å
416T57Low54.4Low105 Ų105106.8 Ų106.864%0.64463%0.629SS**Hα-helixtrans-105.3-21.7-179.9-46.80000112.6R412 Q413 G418R412-T416 WeakPolarHBondContact O-CB 3.41Å; R412-T416 PolarHBondContact O-N 3.38Å; R412-T416 PolarHBondContact O-OG1 3.48Å; Q413-T416 PolarHBondContact O-N 3.22Å; Q413-T416 VanDerWaalsContact O-N 3.07Å; T416-G418 PolarHBondContact O-N 3.16Å
417G46.6Very low52Low69 Ų69110 Ų11071%0.71165%0.645SS**  trans-70.820.3-176.200000116Q413 G419Q413-G417 WeakPolarHBondContact O-CA 3.21Å; Q413-G417 PolarHBondContact O-N 3.29Å; G417-G419 VanDerWaalsContact C-N 3.34Å; G417-G419 PolarHBondContact O-N 3.47Å
418G42.8Very low49.6Very low84 Ų84111.7 Ų111.787%0.86666%0.661SS**SBendtrans-89.327.1-179.200000114.9T416T416-G418 PolarHBondContact O-N 3.16Å
419G36.5Very low47.2Very low62 Ų62120.7 Ų120.764%0.63970%0.698SS**SBendtrans171.9159.4175.600000116.4G417G417-G419 VanDerWaalsContact C-N 3.34Å; G417-G419 PolarHBondContact O-N 3.47Å
420A32.1Very low44.4Very low101 Ų101120.7 Ų120.784%0.83572%0.718SS**  trans60.698.8169.300000118.5
421R36.2Very low41.8Very low230 Ų230121.2 Ų121.287%0.86874%0.741SS**  trans-68.8144.5146-73.4177.9172.6179.7-3.3109.4
422I33.4Very low39.3Very low164 Ų164118.4 Ų118.484%0.84175%0.748SS**  trans-137.1133146.5-61-175.8000107.5
423E32Very low37.2Very low168 Ų168120.6 Ų120.679%0.78577%0.766SS**  trans-88.4145.1175.1-65.6171141.500109.7
424G29.5Very low35.1Very low76 Ų76124.2 Ų124.278%0.78478%0.783SS**  trans-96.2165.7-172.900000114.4
425V26.6Very low33.3Very low139 Ų139124 Ų12484%0.84279%0.788SS**  trans-160.4125.8165.4128.30000112.2
426V27.3Very low31.7Very low111 Ų111121.8 Ų121.867%0.67379%0.79SS**  trans50.8108.4140.7-175.10000122.5
427Q27.5Very low30.3Very low172 Ų172125.9 Ų125.980%0.80481%0.807SS**  trans69158.2134.8-65.5-178.523.500125.4
428T25.9Very low29.3Very low118 Ų118126.2 Ų126.272%0.72481%0.81SS**  trans87.7102.714924.70000123.3
429K27.7Very low28.6Very low206 Ų206130 Ų13090%0.89681%0.807SS**  trans34.2127.6130.9-64.8180176.5177.70121.4
430G24.6Very low28Very low73 Ų73135.7 Ų135.775%0.75382%0.819SS**  135.4116.6117.800000119.2
431A26.3Very low27.7Very low116 Ų116134.4 Ų134.496%0.95982%0.816SS**  trans58.8161.1164.400000118.1
432G24.6Very low27.1Very low68 Ų68127 Ų12770%0.70181%0.811SS**  cis161.7146.5-17.300000114.9
433I28.1Very low26.8Very low150 Ų150123.9 Ų123.977%0.76981%0.81SS**  trans78.1133.3155.7-60176.5000119.3
434Q28.3Very low26.6Very low191 Ų191124.7 Ų124.789%0.89381%0.814SS**  trans62.3152168.3-70.3158.232.600116.8
435G26.6Very low26.4Very low82 Ų82127.1 Ų127.185%0.84581%0.813SS**  cis160.8158.9-3.900000108.8
436G27.1Very low26.5Very low73 Ų73128 Ų12875%0.75381%0.809SS**  cis168.3146.9-9.800000111.6
437L26.6Very low26.5Very low191 Ų191128 Ų128100%181%0.808SS**  trans69.2152.3166.5-64.1162.5000120.4
438G26.2Very low26.4Very low76 Ų76126.4 Ų126.478%0.78481%0.805SS**  trans107.9139.2162.200000117.7
439M26.7Very low26.5Very low162 Ų162124.3 Ų124.380%0.79880%0.8SS**  -178.7122-68.3169.3173.9165.700110.5
440M25.2Very low26.5Very low182 Ų182126 Ų12690%0.89780%0.801SS**  trans59.2164.5171.4-66.7-171.1177.500116.9
441G24.4Very low26.6Very low74 Ų74126.3 Ų126.376%0.76380%0.804SS**  cis167.2159-9.100000112.2
442G24.6Very low26.6Very low75 Ų75125 Ų12577%0.77379%0.793SS**  trans93.2137.2-175.600000112.9
443A27.7Very low26.8Very low99 Ų99133.4 Ų133.482%0.81880%0.804SS**  cis77.2133.733.500000112.3
444E26.3Very low26.7Very low184 Ų184131 Ų13186%0.8680%0.8SS**  cis-140-179.119.2-75.3-170.9136.400115.5
445T27.1Very low26.6Very low127 Ų127127.3 Ų127.378%0.77980%0.796SS**  trans-46175163.622.90000116.3
446E27.1Very low26.6Very low159 Ų159128.8 Ų128.874%0.74379%0.793SS**  cis-165.6170.628.3-148.2-169167.300114.6
447V27.8Very low27.8Very low110 Ų110131 Ų13167%0.66779%0.794SS**  trans55.1155.4157.8-94.80000121.9
448N26.1Very low28.5Very low138 Ų138127.7 Ų127.774%0.73878%0.784SS**  cis-154.6162.4-3.6-146.3-24.4000113.4
449A27.7Very low28.5Very low74 Ų74130 Ų13061%0.61279%0.787SS**  trans58.1148.6141.900000122.9
450R27.6Very low28.5Very low241 Ų241127.7 Ų127.791%0.90979%0.787SS**  cis-165.1126.5-11.5-111172.4-172.8177.92.3112.2
451G25.6Very low28.7Very low81 Ų81123.9 Ų123.984%0.83578%0.778SS**  trans64.7178.8148.400000120.6
452A27.7Very low29Very low88 Ų88126.5 Ų126.573%0.72779%0.785SS**  cis-173.1141.9-30.700000111.9
453R28.2Very low29Very low245 Ų245126.4 Ų126.493%0.92578%0.783SS**  trans67.7160.1169.1-56.7173.2-177.6179.6-0.1115.8
454S26.5Very low29.1Very low99 Ų99134.3 Ų134.369%0.69279%0.792SS**  cis-168.3171-30.356.60000111
455S25.5Very low29Very low113 Ų113129 Ų12979%0.7979%0.786SS**  trans71.7148.4156.234.10000121.5
456S27.2Very low29.1Very low114 Ų114129.9 Ų129.980%0.79779%0.792SS**  trans-118.7-167.8179.9-17.10000110.4
457P53Low29Very low118 Ų118128.3 Ų128.377%0.76679%0.793SS**  cis-111-110.71.329.6-5.3000112.3
458P41Very low28.9Very low122 Ų122130.8 Ų130.879%0.79280%0.801SS**  cis-108.7-144.21.743.6-31.4000113.9
459C25.6Very low28.9Very low124 Ų124129.1 Ų129.184%0.83880%0.8SS**  trans-144.5150.9-173.8-55.50000115.2
460S27.5Very low28.9Very low115 Ų115130.6 Ų130.680%0.80481%0.806SS**  trans-173.6166.9167.6540000111.3
461S29.1Very low29.2Very low101 Ų101125.6 Ų125.671%0.70681%0.805SS**  cis-169.7131-40.756.10000112.5
462S29.9Very low29.4Very low130 Ų130133 Ų13391%0.90981%0.808SS**  trans62.6138.5153.9-55.60000122.5
463G25.5Very low29.4Very low72 Ų72135.1 Ų135.174%0.74282%0.817SS**  trans147.692.914200000121.9
464R29.3Very low29.3Very low265 Ų265128 Ų128100%181%0.81SS**  trans63.5164.1153.5-65.8-178.5172.5178.4-2.7119.5
465G24.4Very low30.1Very low72 Ų72129 Ų12974%0.74281%0.814SS**  trans-171.1-178.1179.600000112.7
466V28.2Very low30.5Very low147 Ų147129.1 Ų129.189%0.89181%0.813SS**  trans-139.2156.6177.8179.90000109.4
467V25.5Very low30.5Very low126 Ų126129.9 Ų129.976%0.76481%0.813SS**  trans-121.5161.6-169.5175.20000111.4
468L26.6Very low29.3Very low161 Ų161128.6 Ų128.684%0.84381%0.812SS**  trans122.2130.5169.2-68161.4000110.6
469S26Very low29.1Very low103 Ų103128.4 Ų128.472%0.7281%0.811SS**  cis-153163.1-4.3-80.30000110.8
470S26.9Very low29Very low105 Ų105128.3 Ų128.373%0.73481%0.812SS**  trans-75.3165.3176.4-49.10000113.7
471P34.3Very low29Very low136 Ų136131.1 Ų131.188%0.88382%0.817SS**  -118.317295.3-5.225.1000114.7
472R30Very low28.7Very low238 Ų238132.3 Ų132.390%0.89883%0.825SS**  trans-101.7149.4179.5-64.4177.7171.7-164.1-2.3112.1
473S27.5Very low28.6Very low131 Ų131134.1 Ų134.192%0.91682%0.824SS**  trans-163.4146.5151.6-95.30000111.3
474A25.4Very low28.6Very low95 Ų95140.9 Ų140.979%0.78583%0.828SS**  trans-171.7169.3175.300000109.6
475P44.6Very low28.5Very low120 Ų120132.4 Ų132.478%0.77981%0.809SS**  cis-109.2-161.2-2542.9-28.8000110
476P33.4Very low29.1Very low116 Ų116138.5 Ų138.575%0.75382%0.819SS**  -149.9162.46836.9-14.1000118.9
477T27.4Very low29.2Very low130 Ų130136.6 Ų136.680%0.79881%0.807SS**  trans30.9110.8144.7-39.40000124.7
478A27.1Very low29.9Very low92 Ų92139.3 Ų139.376%0.7681%0.812SS**  trans60.6-178.1139.200000119.4
479P37.3Very low30.6Very low118 Ų118135 Ų13577%0.76680%0.799SS**  cis-130.9178.6-10.142.9-27.8000115.4
480S23.3Very low32Very low122 Ų122136.3 Ų136.385%0.85380%0.795SS**  trans-170.3136.3137.532.60000113
481L26.5Very low34.1Very low173 Ų173139.4 Ų139.491%0.90680%0.796SS**  trans-109.2140.4167.7-81.4168.7000109.3
482S24Very low36.3Very low126 Ų126133.3 Ų133.388%0.88176%0.756SS**  trans-158.3126.9154.6-870000112.4
483L28.6Very low38.4Very low168 Ų168127.9 Ų127.988%0.8874%0.739SS**  trans-53.5143.3177-62144.7000113
484Y24.7Very low40.8Very low215 Ų215124.1 Ų124.184%0.84371%0.711SS**  -153.7171.2126.8-113.7-75.5000111.8
485S27.4Very low42.5Very low86 Ų86125.6 Ų125.660%0.60171%0.712SS**  trans-61.2-177.6-165.9-46.20000117.2T487S485-T487 PolarHBondContact O-N 3.49Å; S485-T487 PolarHBondContact O-OG1 2.75Å
486E35.8Very low43.4Very low200 Ų200123.7 Ų123.794%0.93571%0.714SS**  trans-49.194.5164.4-64.4176.6107.800112.6
487T32Very low45Very low107 Ų107119.3 Ų119.366%0.65669%0.686SS**  trans-136.386173.956.20000111.2S485 A489S485-T487 PolarHBondContact O-N 3.49Å; S485-T487 PolarHBondContact O-OG1 2.75Å; T487-A489 PolarHBondContact O-N 3.34Å
488H40.3Very low46.7Very low184 Ų184121.4 Ų121.485%0.85269%0.691SS**  trans47.530.1156.2-78.4-91.8000118.1M490H488-M490 PolarHBondContact O-N 3.41Å
489A39.5Very low48.7Very low69 Ų69122.7 Ų122.757%0.5768%0.68SS**  trans-67102.7172.900000109.6T487 K491 T500T487-A489 PolarHBondContact O-N 3.34Å; A489-K491 PolarHBondContact O-N 2.87Å; A489-T500 HydrophobicContact CB-CG2 3.74Å
490M57.1Low50.2Low132 Ų132121.1 Ų121.165%0.6567%0.668SS**PPolyproline II helixtrans-59.7127.1-175.5-66.1-75.3-84.400110H488 L501H488-M490 PolarHBondContact O-N 3.41Å; M490-L501 HydrophobicContact CB-CD2 3.49Å; M490-L501 VanDerWaalsContact CB-CD2 3.49Å; M490-L501 HydrophobicContact CB-CG 3.83Å; M490-L501 WeakPolarHBondContact O-CG 3.24Å; M490-L501 PolarHBondContact O-N 2.73Å
491K70.3Confident52.7Low170 Ų170117.7 Ų117.774%0.73964%0.64SS**BIsolated β-bridgetrans-73151.2-176-61.1-176-179.6-178.40110.9A489 K493A489-K491 PolarHBondContact O-N 2.87Å; K491-K493 PolarHBondContact O-N 3.39Å
492C80.1Confident54.5Low8 Ų8110.8 Ų110.85%0.05461%0.607CS.*PPolyproline II helixtrans-50134.7168.6176.30000110.8T494 C497 F499 C509C492-T494 PolarHBondContact O-N 2.95Å; C492-T494 PolarHBondContact SG-N 3.47Å; C492-C497 HydrophobicContact CB-CB 4.03Å; C492-F499 WeakPolarHBondContact CB-O 3.08Å; C492-F499 PolarHBondContact N-O 2.94Å; C492-C509 HydrophobicContact CB-CB 4.09Å; C492-C509 PolarHBondContact SG-N 2.82Å
493K75.4Confident56.7Low124 Ų124111 Ų11154%0.53960%0.602SS.*SBendtrans-59.1-14.5178.2-73.9170.5-178.5169.90113.7K491 P495 D506 G507 L508K491-K493 PolarHBondContact O-N 3.39Å; K493-P495 WeakPolarHBondContact O-CD 3.12Å; K493-D506 WeakPolarHBondContact CD-O 3.22Å; K493-D506 WeakPolarHBondContact CE-O 3.33Å; K493-D506 PolarHBondContact NZ-O 3.06Å; K493-D506 IonicContact NZ-OD1 3.04Å; K493-D506 PolarHBondContact NZ-OD1 3.44Å; K493-G507 WeakPolarHBondContact CB-O 3.49Å; K493-G507 VanDerWaalsContact CG-O 3.31Å; K493-G507 WeakPolarHBondContact CG-O 3.45Å; K493-G507 PolarHBondContact N-O 3.18Å; K493-L508 HydrophobicContact CB-CD2 3.96Å
494T77.4Confident58.6Low52 Ų52111.4 Ų111.432%0.31960%0.599SS.*SBendtrans-74.7122.4177.2-59.50000111.8C492 G496 C497 L508 C512C492-T494 PolarHBondContact O-N 2.95Å; C492-T494 PolarHBondContact SG-N 3.47Å; T494-G496 PolarHBondContact O-N 3.46Å; T494-C497 HydrophobicContact CG2-CB 4.21Å; T494-C497 WeakPolarHBondContact O-CB 3.49Å; T494-C497 PolarHBondContact O-N 2.88Å; T494-C497 VanDerWaalsContact O-N 3.12Å; T494-L508 WeakPolarHBondContact OG1-CD2 3.42Å; T494-C512 WeakPolarHBondContact OG1-CB 3.25Å; T494-C512 PolarHBondContact OG1-SG 3.3Å
495P61.6Low61Low126 Ų126103.2 Ų103.282%0.81857%0.569SS**THydrogen-bonded Turntrans-55136.8176.2-26.335.5000112.7K493 C497K493-P495 WeakPolarHBondContact O-CD 3.12Å; P495-C497 PolarHBondContact O-N 3.39Å
496G61.7Low63.3Low80 Ų80104.1 Ų104.183%0.82557%0.567SS**THydrogen-bonded Turntrans74.7-5.1-178.400000115.6T494 L498T494-G496 PolarHBondContact O-N 3.46Å; G496-L498 PolarHBondContact O-N 2.68Å
497C68.3Low65.1Low24 Ų2494.9 Ų94.916%0.16253%0.525CS..  trans-75.5122.7178.6-168.80000111.4C492 T494 P495 F499 C509 C512C492-C497 HydrophobicContact CB-CB 4.03Å; T494-C497 HydrophobicContact CG2-CB 4.21Å; T494-C497 WeakPolarHBondContact O-CB 3.49Å; T494-C497 PolarHBondContact O-N 2.88Å; T494-C497 VanDerWaalsContact O-N 3.12Å; P495-C497 PolarHBondContact O-N 3.39Å; C497-F499 VanDerWaalsContact C-N 3.31Å; C497-F499 PolarHBondContact O-N 2.77Å; C497-C509 VanDerWaalsContact SG-SG 3.61Å; C497-C512 VanDerWaalsContact SG-SG 3.65Å
498L62.7Low67.1Low173 Ų17390.2 Ų90.291%0.90650%0.496SS*.  trans-81.3-7.5-178.9-61.8178.9000113.9G496G496-L498 PolarHBondContact O-N 2.68Å
499F68.3Low68.9Low119 Ų11981.9 Ų81.952%0.52246%0.459SS..SBendtrans-86152.7-177.2-61.8-82.3000112.1C492 C497 C509C492-F499 WeakPolarHBondContact CB-O 3.08Å; C492-F499 PolarHBondContact N-O 2.94Å; C497-F499 VanDerWaalsContact C-N 3.31Å; C497-F499 PolarHBondContact O-N 2.77Å; F499-C509 HydrophobicContact CB-CB 3.72Å
500T69.3Low70.7Confident85 Ų8584.7 Ų84.752%0.52146%0.46SS..BIsolated β-bridgetrans-69.1157.3171.845.90000111.6A489 C509A489-T500 HydrophobicContact CB-CG2 3.74Å; T500-C509 VanDerWaalsContact O-CB 3.23Å; T500-C509 WeakPolarHBondContact O-CB 3.41Å
501L76.7Confident71.7Confident51 Ų5187.7 Ų87.727%0.26746%0.464SS..PPolyproline II helixtrans-77.3154.3172.970.577.9000112.4M490 V503 G507M490-L501 HydrophobicContact CB-CD2 3.49Å; M490-L501 VanDerWaalsContact CB-CD2 3.49Å; M490-L501 HydrophobicContact CB-CG 3.83Å; M490-L501 WeakPolarHBondContact O-CG 3.24Å; M490-L501 PolarHBondContact O-N 2.73Å; L501-V503 HydrophobicContact CD1-CG2 4.06Å; L501-G507 VanDerWaalsContact CB-O 3.25Å; L501-G507 WeakPolarHBondContact CB-O 3.37Å
502S63.7Low72Confident28 Ų2880.7 Ų80.720%0.19644%0.436CS..PPolyproline II helixtrans-103.3143.8155.51680000109.5E504 H505 G507 L508S502-E504 PolarHBondContact OG-N 3.2Å; S502-E504 VanDerWaalsContact OG-N 3.14Å; S502-H505 PolarHBondContact OG-N 3.45Å; S502-G507 WeakPolarHBondContact O-CA 3.19Å; S502-G507 PolarHBondContact O-N 3.12Å; S502-L508 PolarHBondContact N-O 3.37Å
503V70.8Confident72.1Confident130 Ų13082.9 Ų82.979%0.78845%0.445SS*.THydrogen-bonded Turntrans-74.7-33.9174.3-175.40000110.6L501 H505 D506L501-V503 HydrophobicContact CD1-CG2 4.06Å; V503-H505 VanDerWaalsContact C-N 3.27Å; V503-H505 PolarHBondContact O-N 3.39Å; V503-D506 PolarHBondContact O-N 2.71Å
504E68.6Low72.2Confident176 Ų17680 Ų8082%0.82244%0.436SS*.THydrogen-bonded Turntrans-67.1-30.9176.9-58168.8158.400111.5S502 D506S502-E504 PolarHBondContact OG-N 3.2Å; S502-E504 VanDerWaalsContact OG-N 3.14Å; E504-D506 VanDerWaalsContact C-N 3.31Å; E504-D506 PolarHBondContact O-N 2.83Å
505H73.5Confident71.9Confident44 Ų4480.3 Ų80.320%0.20444%0.443CS..THydrogen-bonded Turntrans-94.529.8175.2-60.3135.2000113.1S502 V503 G507 L508 F513S502-H505 PolarHBondContact OG-N 3.45Å; V503-H505 VanDerWaalsContact C-N 3.27Å; V503-H505 PolarHBondContact O-N 3.39Å; H505-G507 VanDerWaalsContact C-N 3.29Å; H505-G507 PolarHBondContact O-N 3.08Å; H505-L508 WeakPolarHBondContact O-CB 3.49Å; H505-L508 PolarHBondContact O-N 2.76Å; H505-F513 HydrophobicContact CB-CB 3.88Å; H505-F513 HydrophobicContact CB-CD1 4.36Å; H505-F513 HydrophobicContact CB-CD2 3.71Å; H505-F513 HydrophobicContact CB-CE2 4.33Å; H505-F513 HydrophobicContact CB-CG 3.73Å; H505-F513 AromaticContact CD2-CD1 3.32Å; H505-F513 WeakPolarHBondContact CD2-CD1 3.32Å; H505-F513 AromaticContact CD2-CE1 3.51Å; H505-F513 AromaticContact CD2-CG 3.63Å; H505-F513 AromaticContact CD2-CZ 3.98Å; H505-F513 AromaticContact CG-CD1 3.97Å; H505-F513 AromaticContact CG-CG 3.83Å; H505-F513 AromaticContact NE2-CD1 3.95Å
506D75.4Confident72.4Confident105 Ų10582.6 Ų82.656%0.56144%0.435SS*.THydrogen-bonded Turntrans44.948.7178.9-173.113000113.6K493 V503 E504 L508K493-D506 WeakPolarHBondContact CD-O 3.22Å; K493-D506 WeakPolarHBondContact CE-O 3.33Å; K493-D506 PolarHBondContact NZ-O 3.06Å; K493-D506 IonicContact NZ-OD1 3.04Å; K493-D506 PolarHBondContact NZ-OD1 3.44Å; V503-D506 PolarHBondContact O-N 2.71Å; E504-D506 VanDerWaalsContact C-N 3.31Å; E504-D506 PolarHBondContact O-N 2.83Å; D506-L508 VanDerWaalsContact C-N 3.32Å; D506-L508 PolarHBondContact O-N 3.05Å
507G74.9Confident72.4Confident6 Ų684.7 Ų84.76%0.06242%0.424CS..THydrogen-bonded Turntrans78.58.9176.700000115.5K493 L501 S502 H505K493-G507 WeakPolarHBondContact CB-O 3.49Å; K493-G507 VanDerWaalsContact CG-O 3.31Å; K493-G507 WeakPolarHBondContact CG-O 3.45Å; K493-G507 PolarHBondContact N-O 3.18Å; L501-G507 VanDerWaalsContact CB-O 3.25Å; L501-G507 WeakPolarHBondContact CB-O 3.37Å; S502-G507 WeakPolarHBondContact O-CA 3.19Å; S502-G507 PolarHBondContact O-N 3.12Å; H505-G507 VanDerWaalsContact C-N 3.29Å; H505-G507 PolarHBondContact O-N 3.08Å
508L72.7Confident71.8Confident8 Ų890 Ų904%0.04245%0.45CS..SBendtrans-96.4158168.4-62.2171000110.7K493 T494 S502 H505 D506 C512 F513 R516K493-L508 HydrophobicContact CB-CD2 3.96Å; T494-L508 WeakPolarHBondContact OG1-CD2 3.42Å; S502-L508 PolarHBondContact N-O 3.37Å; H505-L508 WeakPolarHBondContact O-CB 3.49Å; H505-L508 PolarHBondContact O-N 2.76Å; D506-L508 VanDerWaalsContact C-N 3.32Å; D506-L508 PolarHBondContact O-N 3.05Å; L508-C512 HydrophobicContact CB-CB 4.26Å; L508-C512 HydrophobicContact CD2-CB 4.22Å; L508-F513 HydrophobicContact CB-CB 4.17Å; L508-F513 HydrophobicContact CD1-CD2 4.45Å; L508-R516 HydrophobicContact CD1-CB 4.47Å
509C80Confident71.2Confident9 Ų989.3 Ų89.36%0.06144%0.442CS..  trans-76.6155.6160.272.50000109.3C492 C497 F499 T500 R511 C512 F513C492-C509 HydrophobicContact CB-CB 4.09Å; C492-C509 PolarHBondContact SG-N 2.82Å; C497-C509 VanDerWaalsContact SG-SG 3.61Å; F499-C509 HydrophobicContact CB-CB 3.72Å; T500-C509 VanDerWaalsContact O-CB 3.23Å; T500-C509 WeakPolarHBondContact O-CB 3.41Å; C509-R511 VanDerWaalsContact C-N 3.28Å; C509-R511 PolarHBondContact O-N 2.68Å; C509-C512 CarbonylContact O-C 3.54Å; C509-C512 PolarHBondContact O-N 3.19Å; C509-C512 PolarHBondContact SG-SG 2.65Å; C509-F513 PolarHBondContact O-N 2.91Å
510E77.3Confident69.6Low128 Ų12886.5 Ų86.560%0.59845%0.447SS*.Hα-helixtrans-49.5-44-178.1-174.6-174.6-18000113.5C512 F513 N514E510-C512 PolarHBondContact O-N 3.03Å; E510-F513 PolarHBondContact O-N 2.74Å; E510-N514 WeakPolarHBondContact O-CB 3.38Å; E510-N514 PolarHBondContact O-N 2.74Å; E510-N514 PolarHBondContact O-ND2 3.4Å
511R76.8Confident68.2Low196 Ų19688.3 Ų88.374%0.7446%0.46SS*.Hα-helixtrans-58.6-46174.4-90.8-174.7163-158.8-5113C509 A515C509-R511 VanDerWaalsContact C-N 3.28Å; C509-R511 PolarHBondContact O-N 2.68Å; R511-A515 VanDerWaalsContact O-CB 3.29Å; R511-A515 WeakPolarHBondContact O-CB 3.41Å; R511-A515 PolarHBondContact O-N 3.41Å
512C76.8Confident66.6Low23 Ų2392.3 Ų92.316%0.15549%0.489CS..Hα-helixtrans-74.6-29.8-179.9-68.80000112.3T494 C497 L508 C509 E510 R516T494-C512 WeakPolarHBondContact OG1-CB 3.25Å; T494-C512 PolarHBondContact OG1-SG 3.3Å; C497-C512 VanDerWaalsContact SG-SG 3.65Å; L508-C512 HydrophobicContact CB-CB 4.26Å; L508-C512 HydrophobicContact CD2-CB 4.22Å; C509-C512 CarbonylContact O-C 3.54Å; C509-C512 PolarHBondContact O-N 3.19Å; C509-C512 PolarHBondContact SG-SG 2.65Å; E510-C512 PolarHBondContact O-N 3.03Å; C512-R516 WeakPolarHBondContact O-CB 3.05Å; C512-R516 PolarHBondContact O-N 2.94Å; C512-R516 VanDerWaalsContact O-N 3.12Å
513F81.9Confident65Low53 Ų5394.8 Ų94.823%0.23252%0.519CS..Hα-helixtrans-65.8-51172.3-175.7-103.7000111.1H505 L508 C509 E510 A515 R516 Q517H505-F513 HydrophobicContact CB-CB 3.88Å; H505-F513 HydrophobicContact CB-CD1 4.36Å; H505-F513 HydrophobicContact CB-CD2 3.71Å; H505-F513 HydrophobicContact CB-CE2 4.33Å; H505-F513 HydrophobicContact CB-CG 3.73Å; H505-F513 AromaticContact CD2-CD1 3.32Å; H505-F513 WeakPolarHBondContact CD2-CD1 3.32Å; H505-F513 AromaticContact CD2-CE1 3.51Å; H505-F513 AromaticContact CD2-CG 3.63Å; H505-F513 AromaticContact CD2-CZ 3.98Å; H505-F513 AromaticContact CG-CD1 3.97Å; H505-F513 AromaticContact CG-CG 3.83Å; H505-F513 AromaticContact NE2-CD1 3.95Å; L508-F513 HydrophobicContact CB-CB 4.17Å; L508-F513 HydrophobicContact CD1-CD2 4.45Å; C509-F513 PolarHBondContact O-N 2.91Å; E510-F513 PolarHBondContact O-N 2.74Å; F513-A515 PolarHBondContact O-N 2.96Å; F513-R516 CarbonylContact O-C 3.53Å; F513-R516 WeakPolarHBondContact O-CA 3.41Å; F513-R516 WeakPolarHBondContact O-CB 3.36Å; F513-R516 PolarHBondContact O-N 2.88Å; F513-Q517 HydrophobicContact CD1-CG 4.31Å; F513-Q517 HydrophobicContact CE1-CG 4.07Å; F513-Q517 VanDerWaalsContact CE1-NE2 3.26Å; F513-Q517 HydrophobicContact CZ-CG 4.33Å; F513-Q517 PolarHBondContact O-N 3.3Å
514N77.3Confident63.2Low65 Ų6593.9 Ų93.935%0.34853%0.525SS..Hα-helixtrans-66.4-36.5178.9-68.6-21.6000112.6E510 R516 Q517 N518E510-N514 WeakPolarHBondContact O-CB 3.38Å; E510-N514 PolarHBondContact O-N 2.74Å; E510-N514 PolarHBondContact O-ND2 3.4Å; N514-R516 PolarHBondContact O-N 2.93Å; N514-Q517 PolarHBondContact O-N 3.08Å; N514-Q517 PolarHBondContact OD1-NE2 3.34Å; N514-N518 PolarHBondContact O-N 3.12Å
515A72.8Confident61.3Low57 Ų5788.5 Ų88.547%0.47152%0.517SS..Hα-helixtrans-62.1-29.1169.800000113R511 F513 H519R511-A515 VanDerWaalsContact O-CB 3.29Å; R511-A515 WeakPolarHBondContact O-CB 3.41Å; R511-A515 PolarHBondContact O-N 3.41Å; F513-A515 PolarHBondContact O-N 2.96Å; A515-H519 PolarHBondContact O-CD2 3.3Å
516R70.3Confident59.3Low174 Ų17493.7 Ų93.766%0.65755%0.552SS**Hα-helixtrans-83.9-31.7177.3-158.5175.6-166.3-163.74.2112.7L508 C512 F513 N514 H519L508-R516 HydrophobicContact CD1-CB 4.47Å; C512-R516 WeakPolarHBondContact O-CB 3.05Å; C512-R516 PolarHBondContact O-N 2.94Å; C512-R516 VanDerWaalsContact O-N 3.12Å; F513-R516 CarbonylContact O-C 3.53Å; F513-R516 WeakPolarHBondContact O-CA 3.41Å; F513-R516 WeakPolarHBondContact O-CB 3.36Å; F513-R516 PolarHBondContact O-N 2.88Å; N514-R516 PolarHBondContact O-N 2.93Å; R516-H519 PolarHBondContact O-N 3.25Å
517Q62.9Low57.2Low124 Ų12493.7 Ų93.758%0.57957%0.567SS**Hα-helixtrans-66.3-37.5171.1-68.3-159.59600111.9F513 N514 H519F513-Q517 HydrophobicContact CD1-CG 4.31Å; F513-Q517 HydrophobicContact CE1-CG 4.07Å; F513-Q517 VanDerWaalsContact CE1-NE2 3.26Å; F513-Q517 HydrophobicContact CZ-CG 4.33Å; F513-Q517 PolarHBondContact O-N 3.3Å; N514-Q517 PolarHBondContact O-N 3.08Å; N514-Q517 PolarHBondContact OD1-NE2 3.34Å; Q517-H519 PolarHBondContact O-N 2.94Å
518N54.9Low55Low136 Ų13698.2 Ų98.273%0.72760%0.603SS**THydrogen-bonded Turntrans-75.61.5179.4-72.7-2.1000114.6N514N514-N518 PolarHBondContact O-N 3.12Å
519H50.4Low52.9Low158 Ų158104.8 Ų104.873%0.73164%0.644SS**  trans-120.274.6175.1-80.2-60.8000111.8A515 R516 Q517A515-H519 PolarHBondContact O-CD2 3.3Å; R516-H519 PolarHBondContact O-N 3.25Å; Q517-H519 PolarHBondContact O-N 2.94Å
520G35.5Very low50.4Low60 Ų60108 Ų10862%0.61968%0.679SS**PPolyproline II helixtrans-65.5159159.300000112.2
521P39.9Very low48.3Very low124 Ų124110.1 Ų110.181%0.80569%0.693SS**PPolyproline II helixtrans-71.8156.6-173.829.9-35.9000113.4G523P521-G523 PolarHBondContact O-N 3.3Å
522P41.6Very low46.5Very low135 Ų135106.5 Ų106.588%0.87770%0.695SS**PPolyproline II helixtrans-74119.6-175.729.2-34.7000112.8
523G30.8Very low44.1Very low79 Ų79108.7 Ų108.781%0.81472%0.721SS**PPolyproline II helixtrans-89.4142.6161.300000111P521P521-G523 PolarHBondContact O-N 3.3Å
524A33Very low43Very low112 Ų112111.6 Ų111.693%0.92675%0.746SS**PPolyproline II helixtrans-83.6148.8-176.600000113.1
525G29.2Very low40.7Very low63 Ų63116.2 Ų116.265%0.64977%0.77SS**  trans166.7101.3166.800000116.8
526T30Very low38.5Very low153 Ų153116.8 Ų116.894%0.93978%0.782SS**  trans58.4144.2150.148.40000121.1
527A32.7Very low36.6Very low105 Ų105113.2 Ų113.287%0.86879%0.79SS**  trans-108.2151.7173.700000111.6
528A28.1Very low35.9Very low101 Ų101112.9 Ų112.984%0.83580%0.799SS**  trans-151.2134.7163.500000112.5
529T28.4Very low34.6Very low146 Ų146112.8 Ų112.890%0.89680%0.802SS**  trans-55.4158.2170.648.30000115.7
530G26.8Very low33.5Very low77 Ų77111.8 Ų111.879%0.79481%0.807SS**  trans161.793.2151.300000118.2
531L34.8Very low33Very low171 Ų171113 Ų11390%0.89581%0.806SS**  trans-89150.5147.3-85.9167.1000108.3
532P37.4Very low32.5Very low121 Ų121115.3 Ų115.379%0.78681%0.806SS**  -146.6161.8103.438.3-23.2000115.5
533G27.5Very low33Very low68 Ų68114.3 Ų114.370%0.70180%0.799SS**  trans-100-145.4156.200000110.4
534P59.1Low32.9Very low115 Ų115114.5 Ų114.575%0.74779%0.794SS**  cis-134-147.2-5.542.3-22.9000112.4
535N27.7Very low32.6Very low161 Ų161118.8 Ų118.886%0.86179%0.794SS**  trans104.4133.8172.8-55.8-24.8000115.3
536G27.2Very low32.3Very low70 Ų70118.9 Ų118.972%0.72280%0.795SS**  cis168115.7-13.100000115.8
537A29.6Very low32.1Very low99 Ų99117.7 Ų117.782%0.81879%0.793SS**  trans67.5172.2160.300000118.2
538P49.2Very low31.7Very low117 Ų117115.6 Ų115.676%0.7678%0.782SS**  -137.7177.9-59.540.1-26.6000114
539V27.6Very low31.5Very low133 Ų133122.4 Ų122.481%0.80679%0.786SS**  trans-168.2125.3131.91330000113.1
540V27.3Very low31.5Very low137 Ų137121.9 Ų121.983%0.8378%0.783SS**  trans56139.4154.8-178.20000121.6
541S25.2Very low31.4Very low87 Ų87125.8 Ų125.861%0.60878%0.781SS**  trans-151.1175.4176.949.70000111.5
542H28.9Very low31.1Very low172 Ų172130.2 Ų130.280%0.79679%0.786SS**  trans108.5148.6160.1-63.8-62.4000120.7
543P53.1Low30.4Very low113 Ų113127.9 Ų127.973%0.73478%0.783SS**  trans-146.8-168.5-14144.2-22.5000118
544A27.5Very low30.4Very low84 Ų84128.7 Ų128.769%0.69479%0.791SS**  trans87156.214500000121.4
545Q28Very low28.9Very low202 Ų202129.3 Ų129.394%0.94480%0.797SS**  trans70.9146-179.1-48.7-17757.200115
546G22.9Very low29.1Very low64 Ų64129.2 Ų129.266%0.6680%0.797SS**  cis178135.9-10.500000113.2
547S25.5Very low29.7Very low128 Ų128129.5 Ų129.590%0.89579%0.792SS**  trans49.3121.6162.659.80000122.6
548G23.8Very low30.5Very low62 Ų62133.3 Ų133.364%0.63979%0.793SS**  123.5109.2114.100000121.4
549W23.7Very low31.1Very low244 Ų244131 Ų13192%0.92478%0.777SS**  trans64.3152.8155.9-53.877.3000117
550T28.1Very low33.3Very low135 Ų135129.2 Ų129.283%0.82876%0.759SS**  cis-124.8-179.911.849.60000113.8
551Q25.6Very low36.1Very low159 Ų159130 Ų13074%0.74375%0.748SS**  trans-123.9127.7-162.5167.9-1671.500112.9
552W27.8Very low38.9Very low264 Ų264125.9 Ų125.9100%172%0.719SS**  trans-156.2135.9147.9-66.698.6000106.6
553G24.4Very low41.6Very low72 Ų72121.6 Ų121.674%0.74271%0.708SS**  cis-159.5170.5-11.200000108.4
554G25.5Very low43Very low84 Ų84120.5 Ų120.587%0.86669%0.694SS**  trans-135.9165-172.800000115.2
555C28.1Very low45.8Very low129 Ų129118.7 Ų118.787%0.87268%0.676SS**  trans-136.1131.4166.1-170.70000107.1
556D32Very low48.5Very low159 Ų159118.2 Ų118.285%0.8567%0.666SS**  trans-74143.6-162.7-64.6-70.8000114.2
557A40.3Very low51.1Low75 Ų75121.3 Ų121.362%0.6266%0.663SS**  trans-104.4102.3166.300000108.2T559A557-T559 PolarHBondContact O-N 2.87Å
558E45.9Very low53.7Low180 Ų180120.3 Ų120.384%0.84164%0.644SS**  trans-56.5129.8-179.5-63.9-176.3128.600111.2
559T61.3Low56.4Low68 Ų68119.1 Ų119.142%0.41762%0.624SS.*  trans-104.9128.517545.80000110.1A557 F570A557-T559 PolarHBondContact O-N 2.87Å; T559-F570 HydrophobicContact CG2-CD1 3.61Å; T559-F570 HydrophobicContact CG2-CE1 3.42Å; T559-F570 VanDerWaalsContact CG2-CE1 3.42Å; T559-F570 HydrophobicContact CG2-CG 4.31Å; T559-F570 HydrophobicContact CG2-CZ 3.99Å
560E74.9Confident58.5Low95 Ų95115 Ų11544%0.44461%0.613SS.*EExtended strand (participates in β ladder)trans-102.6146.6-175.4-58.4-178104.200111.3E568 V569 I572E560-E568 WeakPolarHBondContact O-CA 3.38Å; E560-V569 PolarHBondContact N-O 3.47Å; E560-V569 WeakPolarHBondContact O-CG2 3.46Å; E560-V569 PolarHBondContact O-N 2.93Å; E560-I572 HydrophobicContact CB-CD1 3.85Å; E560-I572 HydrophobicContact CB-CG1 4.32Å; E560-I572 HydrophobicContact CB-CG2 4.22Å; E560-I572 HydrophobicContact CG-CD1 4.49Å; E560-I572 WeakPolarHBondContact OE2-CG1 3.24Å
561R85.4Confident60.5Low155 Ų155118.6 Ų118.659%0.58561%0.611SS**EExtended strand (participates in β ladder)trans-97.3117.3-173.1-157.4174.2-158.7117.519.7111.6S563 R566 E568R561-S563 PolarHBondContact O-N 2.97Å; R561-R566 WeakPolarHBondContact CG-O 3.45Å; R561-R566 PolarHBondContact NE-O 2.84Å; R561-R566 PolarHBondContact NH2-O 2.95Å; R561-E568 HydrophobicContact CB-CG 4.47Å; R561-E568 HydrophobicContact CG-CG 4.29Å; R561-E568 IonicContact CZ-OE1 3.74Å; R561-E568 IonicContact NE-OE1 2.65Å; R561-E568 IonicContact NH1-OE1 3.14Å; R561-E568 PolarHBondContact NH1-OE1 3.39Å; R561-E568 IonicContact NH2-OE1 2.6Å; R561-E568 PolarHBondContact NH2-OE1 2.63Å; R561-E568 VanDerWaalsContact NH2-OE1 3.14Å
562C83.8Confident63Low0 Ų0113.3 Ų113.30%059%0.588CS.*PPolyproline II helixtrans-61.1127.1178.6174.20000111.6M564 C565 R566 Q567 G575 C577 C580C562-M564 VanDerWaalsContact C-N 3.32Å; C562-M564 PolarHBondContact O-N 2.78Å; C562-C565 VanDerWaalsContact CB-SG 3.58Å; C562-R566 WeakPolarHBondContact O-CA 3.3Å; C562-R566 PolarHBondContact O-N 2.74Å; C562-Q567 PolarHBondContact N-O 3.01Å; C562-G575 CarbonylContact C-O 3.54Å; C562-G575 WeakPolarHBondContact CA-O 3.47Å; C562-C577 HydrophobicContact CB-CB 3.99Å; C562-C577 PolarHBondContact SG-N 3.13Å; C562-C580 VanDerWaalsContact SG-SG 3.7Å
563S85.3Confident64.3Low81 Ų81107.4 Ų107.457%0.56657%0.569SS**THydrogen-bonded Turntrans-65.2-30.2-176.462.90000113.9R561 G575 L576R561-S563 PolarHBondContact O-N 2.97Å; S563-G575 PolarHBondContact N-O 3.3Å; S563-G575 PolarHBondContact OG-O 3.17Å; S563-L576 WeakPolarHBondContact OG-CD2 3.45Å
564M83.1Confident66.7Low90 Ų90111 Ų11144%0.44357%0.571SS.*THydrogen-bonded Turntrans-87.9-45.9-179-176.7157.463.700113.9C562 L576 C580 Q584C562-M564 VanDerWaalsContact C-N 3.32Å; C562-M564 PolarHBondContact O-N 2.78Å; M564-L576 HydrophobicContact CB-CD2 3.53Å; M564-C580 HydrophobicContact CB-CB 4.37Å; M564-C580 HydrophobicContact CE-CB 3.48Å; M564-C580 VanDerWaalsContact CE-CB 3.48Å; M564-C580 VanDerWaalsContact CE-O 3.24Å; M564-C580 WeakPolarHBondContact CE-O 3.34Å; M564-Q584 HydrophobicContact CE-CG 4.42Å
565C86.6Confident69.2Low46 Ų46108.1 Ų108.131%0.31154%0.542SS..THydrogen-bonded Turntrans-98.3-7.3-179.770.40000114.9C562 Q567 C577C562-C565 VanDerWaalsContact CB-SG 3.58Å; C565-Q567 PolarHBondContact O-N 2.81Å; C565-C577 VanDerWaalsContact SG-SG 3.67Å
566R84.2Confident71.7Confident193 Ų193102.8 Ų102.873%0.72851%0.505SS*.  trans5616.5-178.7-58-172.5177.2-160.9-0.5115.8R561 C562R561-R566 WeakPolarHBondContact CG-O 3.45Å; R561-R566 PolarHBondContact NE-O 2.84Å; R561-R566 PolarHBondContact NH2-O 2.95Å; C562-R566 WeakPolarHBondContact O-CA 3.3Å; C562-R566 PolarHBondContact O-N 2.74Å
567Q77.9Confident74.2Confident128 Ų12895.5 Ų95.560%0.59847%0.466SS*.  trans-84.3145.2170.4-65.8171.2-25.300110.4C562 C565C562-Q567 PolarHBondContact N-O 3.01Å; C565-Q567 PolarHBondContact O-N 2.81Å
568E80.9Confident75.9Confident108 Ų10896.1 Ų96.151%0.50546%0.462SS..EExtended strand (participates in β ladder)trans-78.4134.4171.3-74141.9-148.600109.8E560 R561E560-E568 WeakPolarHBondContact O-CA 3.38Å; R561-E568 HydrophobicContact CB-CG 4.47Å; R561-E568 HydrophobicContact CG-CG 4.29Å; R561-E568 IonicContact CZ-OE1 3.74Å; R561-E568 IonicContact NE-OE1 2.65Å; R561-E568 IonicContact NH1-OE1 3.14Å; R561-E568 PolarHBondContact NH1-OE1 3.39Å; R561-E568 IonicContact NH2-OE1 2.6Å; R561-E568 PolarHBondContact NH2-OE1 2.63Å; R561-E568 VanDerWaalsContact NH2-OE1 3.14Å
569V79.3Confident77.6Confident36 Ų3691.4 Ų91.422%0.21845%0.447CS..EExtended strand (participates in β ladder)trans-145.7149.6-177.1-73.50000110.6E560 R571 I572 C577E560-V569 PolarHBondContact N-O 3.47Å; E560-V569 WeakPolarHBondContact O-CG2 3.46Å; E560-V569 PolarHBondContact O-N 2.93Å; V569-R571 WeakPolarHBondContact CG2-O 3.28Å; V569-R571 PolarHBondContact O-N 2.89Å; V569-I572 HydrophobicContact CG2-CG2 3.57Å; V569-C577 HydrophobicContact CB-CB 4.47Å; V569-C577 HydrophobicContact CG1-CB 4.08Å; V569-C577 HydrophobicContact CG2-CB 3.84Å
570F69.1Low78.4Confident159 Ų15988.6 Ų88.670%0.69743%0.43SS*.SBendtrans-71.8-8.9-177.5-63.5-79000115.2T559T559-F570 HydrophobicContact CG2-CD1 3.61Å; T559-F570 HydrophobicContact CG2-CE1 3.42Å; T559-F570 VanDerWaalsContact CG2-CE1 3.42Å; T559-F570 HydrophobicContact CG2-CG 4.31Å; T559-F570 HydrophobicContact CG2-CZ 3.99Å
571R68.6Low78.5Confident210 Ų21086.8 Ų86.879%0.79242%0.423SS*.  trans-153.3134.5172.5-63.9-170.1-179.9177.60.1110.8V569V569-R571 WeakPolarHBondContact CG2-O 3.28Å; V569-R571 PolarHBondContact O-N 2.89Å
572I78.5Confident78Confident47 Ų4785.3 Ų85.324%0.24142%0.422CS..  trans-115.5163.5162.567-168.2000111E560 V569 L576E560-I572 HydrophobicContact CB-CD1 3.85Å; E560-I572 HydrophobicContact CB-CG1 4.32Å; E560-I572 HydrophobicContact CB-CG2 4.22Å; E560-I572 HydrophobicContact CG-CD1 4.49Å; E560-I572 WeakPolarHBondContact OE2-CG1 3.24Å; V569-I572 HydrophobicContact CG2-CG2 3.57Å; I572-L576 CarbonylContact C-O 3.59Å; I572-L576 WeakPolarHBondContact CA-O 3.4Å
573F55.6Low77.3Confident140 Ų14094.6 Ų94.661%0.61446%0.457SS*.BIsolated β-bridgetrans-131.9122.1169.4-163.7-98.9000108.2G575 L576 M581F573-G575 PolarHBondContact O-N 3.39Å; F573-L576 PolarHBondContact N-O 3.12Å; F573-L576 PolarHBondContact O-N 3.2Å; F573-M581 HydrophobicContact CB-SD 4.37Å; F573-M581 HydrophobicContact CD1-SD 3.95Å; F573-M581 HydrophobicContact CG-SD 4.5Å
574N75Confident76.2Confident148 Ų14897.2 Ų97.279%0.79146%0.461SS*.THydrogen-bonded Turntrans47.242.3-171.1-64.6-12.2000113.7L576N574-L576 VanDerWaalsContact C-N 3.33Å; N574-L576 PolarHBondContact O-N 2.72Å
575G77.4Confident74.5Confident24 Ų2499.8 Ų99.825%0.24747%0.472CS..THydrogen-bonded Turntrans86.3-11.2-178.700000115.7C562 S563 F573C562-G575 CarbonylContact C-O 3.54Å; C562-G575 WeakPolarHBondContact CA-O 3.47Å; S563-G575 PolarHBondContact N-O 3.3Å; S563-G575 PolarHBondContact OG-O 3.17Å; F573-G575 PolarHBondContact O-N 3.39Å
576L79.8Confident72Confident16 Ų16101 Ų1018%0.08449%0.485CS..BIsolated β-bridgetrans-110.5141-171.9-61.5176.8000112.9S563 M564 I572 F573 N574 C580 M581S563-L576 WeakPolarHBondContact OG-CD2 3.45Å; M564-L576 HydrophobicContact CB-CD2 3.53Å; I572-L576 CarbonylContact C-O 3.59Å; I572-L576 WeakPolarHBondContact CA-O 3.4Å; F573-L576 PolarHBondContact N-O 3.12Å; F573-L576 PolarHBondContact O-N 3.2Å; N574-L576 VanDerWaalsContact C-N 3.33Å; N574-L576 PolarHBondContact O-N 2.72Å; L576-C580 HydrophobicContact CB-CB 4.23Å; L576-C580 HydrophobicContact CD2-CB 4.24Å; L576-M581 HydrophobicContact CB-CB 4.45Å
577C85.3Confident69.7Low7 Ų797.8 Ų97.85%0.04749%0.489CS..  trans-74.9158.5166.969.10000111.2C562 C565 V569 C580 M581C562-C577 HydrophobicContact CB-CB 3.99Å; C562-C577 PolarHBondContact SG-N 3.13Å; C565-C577 VanDerWaalsContact SG-SG 3.67Å; V569-C577 HydrophobicContact CB-CB 4.47Å; V569-C577 HydrophobicContact CG1-CB 4.08Å; V569-C577 HydrophobicContact CG2-CB 3.84Å; C577-C580 WeakPolarHBondContact O-CA 3.24Å; C577-C580 WeakPolarHBondContact O-CB 3.47Å; C577-C580 PolarHBondContact O-N 2.91Å; C577-C580 PolarHBondContact SG-SG 3.24Å; C577-M581 PolarHBondContact O-N 2.82Å
578T76.9Confident67.6Low88 Ų88100.7 Ų100.754%0.5450%0.503SS..Hα-helixtrans-52.5-45.1-174.1-36.90000114.5C580 M581 Q582T578-C580 VanDerWaalsContact C-N 3.27Å; T578-C580 PolarHBondContact O-N 3.44Å; T578-M581 PolarHBondContact O-N 3.22Å; T578-Q582 PolarHBondContact O-N 3.36Å
579P80.2Confident65.3Low81 Ų81107.6 Ų107.653%0.52652%0.524SS..Hα-helixtrans-66.6-24.8176.3-21.134.3000114.2
580C79.3Confident62.9Low9 Ų9109.4 Ų109.46%0.06155%0.55CS.*Hα-helixtrans-78.4-42.3174-77.30000111.3C562 M564 L576 C577 T578 R583C562-C580 VanDerWaalsContact SG-SG 3.7Å; M564-C580 HydrophobicContact CB-CB 4.37Å; M564-C580 HydrophobicContact CE-CB 3.48Å; M564-C580 VanDerWaalsContact CE-CB 3.48Å; M564-C580 VanDerWaalsContact CE-O 3.24Å; M564-C580 WeakPolarHBondContact CE-O 3.34Å; L576-C580 HydrophobicContact CB-CB 4.23Å; L576-C580 HydrophobicContact CD2-CB 4.24Å; C577-C580 WeakPolarHBondContact O-CA 3.24Å; C577-C580 WeakPolarHBondContact O-CB 3.47Å; C577-C580 PolarHBondContact O-N 2.91Å; C577-C580 PolarHBondContact SG-SG 3.24Å; T578-C580 VanDerWaalsContact C-N 3.27Å; T578-C580 PolarHBondContact O-N 3.44Å; C580-R583 PolarHBondContact O-N 2.88Å
581M77.3Confident61Low57 Ų57111.2 Ų111.228%0.28156%0.56SS.*Hα-helixtrans-62.2-44.5177.6-168.5-17277.800111.9F573 L576 C577 T578 R583 Q584F573-M581 HydrophobicContact CB-SD 4.37Å; F573-M581 HydrophobicContact CD1-SD 3.95Å; F573-M581 HydrophobicContact CG-SD 4.5Å; L576-M581 HydrophobicContact CB-CB 4.45Å; C577-M581 PolarHBondContact O-N 2.82Å; T578-M581 PolarHBondContact O-N 3.22Å; M581-R583 VanDerWaalsContact C-N 3.26Å; M581-R583 PolarHBondContact O-N 2.96Å; M581-Q584 PolarHBondContact O-N 3.49Å
582Q74.1Confident59.7Low124 Ų124106.6 Ų106.658%0.57956%0.558SS**Hα-helixtrans-62.7-31.9177.1-73.3176-23.900112.6T578 Q584 Q585T578-Q582 PolarHBondContact O-N 3.36Å; Q582-Q584 VanDerWaalsContact C-N 3.27Å; Q582-Q584 PolarHBondContact O-N 2.79Å; Q582-Q585 PolarHBondContact O-N 3.07Å; Q582-Q585 VanDerWaalsContact O-N 3.15Å
583R69.3Low57.4Low194 Ų194112.9 Ų112.973%0.73259%0.586SS**Hα-helixtrans-69.1-22.1179.6-158.4177.6-61-147.20.5113.4C580 M581 Q585C580-R583 PolarHBondContact O-N 2.88Å; M581-R583 VanDerWaalsContact C-N 3.26Å; M581-R583 PolarHBondContact O-N 2.96Å; R583-Q585 VanDerWaalsContact C-N 3.34Å
584Q62.6Low56.3Low137 Ų137115.1 Ų115.164%0.6460%0.599SS**THydrogen-bonded Turntrans-82.1-7.3173.4-71.5-167.2-29.700114M564 M581 Q582M564-Q584 HydrophobicContact CE-CG 4.42Å; M581-Q584 PolarHBondContact O-N 3.49Å; Q582-Q584 VanDerWaalsContact C-N 3.27Å; Q582-Q584 PolarHBondContact O-N 2.79Å
585Q45.9Very low53.9Low144 Ų144112 Ų11267%0.67360%0.601SS**THydrogen-bonded Turntrans-101.24.7-174.6-65.8-176.3-18.800114Q582 R583Q582-Q585 PolarHBondContact O-N 3.07Å; Q582-Q585 VanDerWaalsContact O-N 3.15Å; R583-Q585 VanDerWaalsContact C-N 3.34Å
586A34.9Very low51.5Low72 Ų72117.5 Ų117.560%0.59563%0.625SS**PPolyproline II helixtrans-93.6121.6176.700000111.4
587P36.1Very low49Very low124 Ų124124.9 Ų124.981%0.80566%0.658SS**PPolyproline II helixtrans-83.4117.2173.231.6-31.5000110.7
588E32.8Very low46.2Very low189 Ų189134.6 Ų134.688%0.88369%0.694SS**PPolyproline II helixtrans-73.5137.4178.2-63.1-163.2136.100112.5
589R32.7Very low43.8Very low254 Ų254135.2 Ų135.296%0.95870%0.698SS**  trans-90.1115.7156.6-69.8-174.4-179.3-1691.7107.5
590G30.3Very low41.2Very low74 Ų74138.9 Ų138.976%0.76371%0.708SS**  trans-88.8143.1175.400000113.2
591E28.1Very low38.6Very low196 Ų196142.6 Ų142.692%0.91674%0.739SS**  trans-137.8157.9146.9-85.3-156.59800109.1
592P42.6Very low36.4Very low114 Ų114144.8 Ų144.874%0.7476%0.76SS**  trans-115.8137.3-151.637.5-26.9000116.1
593Q29.9Very low34.2Very low178 Ų178142.8 Ų142.883%0.83277%0.765SS**  trans-136.9115.7159.7-72.7-170.5-33.300108
594Q30.9Very low32.2Very low188 Ų188144 Ų14488%0.87977%0.77SS**  6713592.4-72.7-171.9-12.100114.6
595G26Very low30.5Very low81 Ų81143.2 Ų143.284%0.83577%0.769SS**  trans133.471.4160.400000117.3
596N26.4Very low29.7Very low141 Ų141144.4 Ų144.475%0.75477%0.774SS**  trans-36.5138.4165.9-78.1-7.8000117.8
597H27.3Very low29.4Very low170 Ų170145.1 Ų145.179%0.78778%0.78SS**  trans63.3168.3138.9-60.7-49.4000118.2
598R26.1Very low29Very low212 Ų212149.1 Ų149.180%0.878%0.779SS**  cis-160149.515.3-151.2-173.2-176172.8-1111.5
599T27.6Very low28.8Very low101 Ų101145.6 Ų145.662%0.6277%0.766SS**  trans49.9164.9150.742.90000120.2
600E26Very low28.7Very low158 Ų158139.2 Ų139.274%0.73876%0.756SS**  cis-142.8147.80.8-125.6125.9-13300105.9
601A25Very low28.5Very low86 Ų86144.4 Ų144.471%0.71176%0.76SS**  cis66139.849.900000112.9
602S29.3Very low28.7Very low104 Ų104143 Ų14373%0.72775%0.754SS**  cis-158.8163.416.6-50.20000114.3
603A29.8Very low28.6Very low82 Ų82143.7 Ų143.768%0.67876%0.758SS**  trans67.4162.7147.100000118
604W25.4Very low28.4Very low219 Ų219140.2 Ų140.283%0.8375%0.752SS**  cis-14112926.5-83.576.9000110.9
605I27.9Very low28.2Very low121 Ų121138.6 Ų138.662%0.62175%0.749SS**  84.2140.1101.8-70.8-129.6000114
606Q28.4Very low28.2Very low168 Ų168140.9 Ų140.979%0.78575%0.747SS**  cis-157161.116.4-142.1158.23100113.9
607A29.2Very low28.2Very low87 Ų87141.3 Ų141.372%0.71975%0.748SS**  trans59.9150.1146.200000121.5
608R28.1Very low28.1Very low209 Ų209139 Ų13979%0.78975%0.747SS**  cis-164154.1-9.6-116.9-171.5147.1145.40.3111.3
609D28.4Very low28.6Very low114 Ų114134.6 Ų134.661%0.6175%0.745SS**  trans35.9146.2132.7-51-5.4000120.6
610T29.4Very low28.5Very low121 Ų121134.5 Ų134.574%0.74275%0.754SS**  cis-177.1156.61.923.90000106.8
611E27.5Very low28.6Very low183 Ų183136.3 Ų136.386%0.85576%0.762SS**  cis-160.3-118.3-13.9-160.7-178.7146.100110.6
612Q31.9Very low28.7Very low166 Ų166139 Ų13978%0.77677%0.77SS**  trans-150.5175.2-176.9-146.9171.215.300110
613P40Very low28.7Very low129 Ų129139.2 Ų139.284%0.83877%0.772SS**  -156.1-163.99741-20.2000115.1
614C26.1Very low28.7Very low105 Ų105139.7 Ų139.771%0.70978%0.776SS**  trans-150.5176.1-172.3-1700000112.7
615L27.3Very low28.9Very low154 Ų154140.5 Ų140.581%0.80678%0.779SS**  trans83.5130.9164.4-51.7174.5000119.6
616T26.1Very low29.2Very low129 Ų129142.8 Ų142.879%0.79179%0.787SS**  -168.9126.2110.730.30000114
617L25.5Very low29.5Very low149 Ų149141.4 Ų141.478%0.7879%0.79SS**  trans52.8100.7137.1-56.4171.3000122.6
618T24.6Very low30.2Very low123 Ų123141.6 Ų141.676%0.75578%0.784SS**  28.8159.6114.658.20000122.9
619P37.8Very low31Very low119 Ų119138.6 Ų138.677%0.77378%0.783SS**  cis-135.1158.40.337.4-19.6000117
620A25.8Very low32.2Very low98 Ų98136.5 Ų136.581%0.8178%0.782SS**  trans-154.7134.4152.500000110.8
621H26.3Very low33.7Very low196 Ų196137 Ų13791%0.90778%0.776SS**  trans-69.2126.8-166.3-68.6-102.9000115.4
622T28.7Very low36Very low143 Ų143136.2 Ų136.288%0.87777%0.765SS**  trans-125.8144.4140.348.80000109.1
623S28.7Very low38.4Very low109 Ų109128.7 Ų128.776%0.76273%0.73SS**  trans-86.8140.5-166.641.60000113.4
624A30Very low40.3Very low91 Ų91129.8 Ų129.875%0.75272%0.722SS**  trans-71.7143.6177.200000112.3
625W29.4Very low42.9Very low236 Ų236130.2 Ų130.289%0.89471%0.708SS**  trans-129.7138.1151.8-77.691.5000109.2
626Q32.9Very low45.3Very low170 Ų170128.6 Ų128.679%0.79471%0.71SS**  trans-76149.4-172-63.5150.7-1400110.9P628Q626-P628 WeakPolarHBondContact O-CD 3.37Å; Q626-P628 VanDerWaalsContact O-N 3.14Å
627T36Very low47.6Very low139 Ų139126.4 Ų126.485%0.85371%0.713SS**  trans-57.2115168.4-47.50000109.6L629T627-L629 PolarHBondContact O-N 2.97Å
628P43.8Very low50.1Low91 Ų91120.4 Ų120.459%0.59168%0.683SS**  trans-70.6117.7-176.4-2034.3000110.5Q626 A630 P644Q626-P628 WeakPolarHBondContact O-CD 3.37Å; Q626-P628 VanDerWaalsContact O-N 3.14Å; P628-A630 PolarHBondContact O-N 2.79Å; P628-P644 HydrophobicContact CB-CG 4.36Å; P628-P644 HydrophobicContact CG-CG 4.13Å
629L44.7Very low52.6Low145 Ų145121.7 Ų121.776%0.75968%0.681SS**  trans-52.4124.3165.8-77.5165.1000108.7T627 Q631T627-L629 PolarHBondContact O-N 2.97Å; L629-Q631 PolarHBondContact O-N 3.1Å
630A53.8Low54.5Low71 Ų71122.2 Ų122.259%0.58767%0.671SS**  trans-57.7106.1-174.500000110.8P628 F641P628-A630 PolarHBondContact O-N 2.79Å; A630-F641 HydrophobicContact CB-CB 4.24Å; A630-F641 HydrophobicContact CB-CD1 4.14Å; A630-F641 HydrophobicContact CB-CG 4.27Å; A630-F641 WeakPolarHBondContact O-CD1 3.47Å
631Q61Low57.1Low132 Ų132123.4 Ų123.462%0.61766%0.658SS**EExtended strand (participates in β ladder)trans-79.9149.4-178.7-70-57.7-3700110.8L629 F641 G642L629-Q631 PolarHBondContact O-N 3.1Å; Q631-F641 CarbonylContact O-C 3.56Å; Q631-F641 VanDerWaalsContact O-CA 3.27Å; Q631-F641 WeakPolarHBondContact O-CA 3.46Å; Q631-F641 WeakPolarHBondContact O-CB 3.14Å; Q631-G642 PolarHBondContact O-N 2.93Å
632R75.8Confident59.8Low166 Ų166114.4 Ų114.463%0.62662%0.618SS**EExtended strand (participates in β ladder)trans-64.2145.1174.7-55.1-172.284.4171.58.4109.3K634 F641R632-K634 PolarHBondContact O-N 3.16Å; R632-F641 HydrophobicContact CG-CD1 4.39Å; R632-F641 HydrophobicContact CG-CE1 4.13Å
633C82.9Confident62.1Low8 Ų8110.2 Ų110.25%0.05459%0.593CS.*PPolyproline II helixtrans-54.1132.8-177.3175.40000111.3R635 C638 F640 G648 C650C633-R635 PolarHBondContact O-N 3.49Å; C633-C638 HydrophobicContact CB-CB 3.87Å; C633-F640 WeakPolarHBondContact CB-O 3.45Å; C633-F640 PolarHBondContact N-O 2.87Å; C633-G648 WeakPolarHBondContact CA-O 3.48Å; C633-C650 HydrophobicContact CB-CB 4.08Å; C633-C650 PolarHBondContact SG-N 3.04Å
634K79.4Confident64.2Low151 Ų151108.9 Ų108.966%0.65758%0.581SS**SBendtrans-57.2-14.2-179.1-172.9172.9180179.10115R632 G648 F649R632-K634 PolarHBondContact O-N 3.16Å; K634-G648 WeakPolarHBondContact CB-O 3.46Å; K634-G648 PolarHBondContact N-O 3.11Å; K634-F649 HydrophobicContact CB-CD1 3.97Å; K634-F649 HydrophobicContact CB-CE1 3.84Å; K634-F649 HydrophobicContact CB-CG 4.43Å; K634-F649 HydrophobicContact CB-CZ 4.2Å; K634-F649 HydrophobicContact CD-CE1 4.49Å; K634-F649 HydrophobicContact CD-CE2 4.19Å; K634-F649 HydrophobicContact CD-CZ 4.02Å; K634-F649 HydrophobicContact CG-CE1 4.2Å; K634-F649 HydrophobicContact CG-CZ 4.19Å
635R80.9Confident66.3Low114 Ų114111 Ų11143%0.4358%0.576SS.*SBendtrans-79.1120.7173.6-171.3-176.8-158.614911.9110.3C633 G637 C638 F649 C653 D656C633-R635 PolarHBondContact O-N 3.49Å; R635-G637 PolarHBondContact O-N 3.23Å; R635-C638 HydrophobicContact CB-CB 4.02Å; R635-C638 WeakPolarHBondContact O-CB 3.38Å; R635-C638 PolarHBondContact O-N 3.37Å; R635-F649 HydrophobicContact CB-CD1 4.42Å; R635-F649 HydrophobicContact CB-CE1 4.41Å; R635-C653 HydrophobicContact CB-CB 4.34Å; R635-C653 WeakPolarHBondContact CD-SG 3.04Å; R635-D656 IonicContact CZ-OD2 2.71Å; R635-D656 IonicContact NH1-OD2 3.52Å; R635-D656 PolarHBondContact NH1-OD2 3.46Å; R635-D656 IonicContact NH2-OD2 2.61Å; R635-D656 PolarHBondContact NH2-OD2 3.12Å
636S76.4Confident68.6Low120 Ų120102.7 Ų102.784%0.83955%0.546SS*.THydrogen-bonded Turntrans-51.6136.4174.643.50000111.9C638S636-C638 PolarHBondContact O-N 2.91Å
637G75.4Confident70.8Confident83 Ų8399 Ų9986%0.85653%0.531SS*.THydrogen-bonded Turntrans76.3-8.6-175.300000115.8R635 Q639R635-G637 PolarHBondContact O-N 3.23Å; G637-Q639 PolarHBondContact O-N 2.99Å
638C78.8Confident72.9Confident23 Ų2393.6 Ų93.616%0.15550%0.502CS..  trans-77.9122.4178.4-167.10000111.2C633 R635 S636 C653C633-C638 HydrophobicContact CB-CB 3.87Å; R635-C638 HydrophobicContact CB-CB 4.02Å; R635-C638 WeakPolarHBondContact O-CB 3.38Å; R635-C638 PolarHBondContact O-N 3.37Å; S636-C638 PolarHBondContact O-N 2.91Å; C638-C653 VanDerWaalsContact SG-SG 3.67Å
639Q75.3Confident74.6Confident150 Ų15090.3 Ų90.370%0.70148%0.479SS*.  trans-83.7-19.6-176.5-59.4-171.613.500113.9G637G637-Q639 PolarHBondContact O-N 2.99Å
640F78.2Confident76.4Confident130 Ų13083.9 Ų83.957%0.5745%0.446SS*.SBendtrans-73.4161.8-178.9-59.2-75.8000112.6C633 C650C633-F640 WeakPolarHBondContact CB-O 3.45Å; C633-F640 PolarHBondContact N-O 2.87Å; F640-C650 HydrophobicContact CB-CB 3.73Å
641F81.2Confident77.5Confident124 Ų12484.5 Ų84.554%0.54444%0.443SS..EExtended strand (participates in β ladder)trans-88.5148.4177.1-58.7-82.5000112A630 Q631 R632 C650A630-F641 HydrophobicContact CB-CB 4.24Å; A630-F641 HydrophobicContact CB-CD1 4.14Å; A630-F641 HydrophobicContact CB-CG 4.27Å; A630-F641 WeakPolarHBondContact O-CD1 3.47Å; Q631-F641 CarbonylContact O-C 3.56Å; Q631-F641 VanDerWaalsContact O-CA 3.27Å; Q631-F641 WeakPolarHBondContact O-CA 3.46Å; Q631-F641 WeakPolarHBondContact O-CB 3.14Å; R632-F641 HydrophobicContact CG-CD1 4.39Å; R632-F641 HydrophobicContact CG-CE1 4.13Å; F641-C650 VanDerWaalsContact O-CA 3.28Å; F641-C650 WeakPolarHBondContact O-CA 3.31Å; F641-C650 WeakPolarHBondContact O-CB 3.23Å
642G82.1Confident78.2Confident6 Ų684 Ų846%0.06244%0.443CS..EExtended strand (participates in β ladder)trans-109.2154.9174.200000112Q631 F649Q631-G642 PolarHBondContact O-N 2.93Å; G642-F649 VanDerWaalsContact CA-C 3.41Å; G642-F649 VanDerWaalsContact CA-O 3.31Å; G642-F649 WeakPolarHBondContact CA-O 3.47Å
643T77.3Confident78.1Confident56 Ų5676.5 Ų76.534%0.34442%0.416SS..  trans-115.1155.7179.874.30000111.4E645 K646 L647 G648T643-E645 VanDerWaalsContact C-N 3.33Å; T643-E645 WeakPolarHBondContact CB-OE2 3.31Å; T643-E645 PolarHBondContact O-N 3.24Å; T643-E645 PolarHBondContact OG1-OE2 3.46Å; T643-K646 CarbonylContact O-C 3.55Å; T643-K646 PolarHBondContact O-N 3.27Å; T643-K646 VanDerWaalsContact O-N 3.09Å; T643-L647 PolarHBondContact O-N 3Å; T643-G648 PolarHBondContact O-N 3.39Å
644P72.8Confident78Confident81 Ų8178.4 Ų78.453%0.52642%0.422SS..G310 helixtrans-56.7-42.7179.6-25.233.8000113.4P628 K646 L647P628-P644 HydrophobicContact CB-CG 4.36Å; P628-P644 HydrophobicContact CG-CG 4.13Å; P644-K646 PolarHBondContact O-N 3.41Å; P644-K646 VanDerWaalsContact O-N 3.11Å; P644-L647 PolarHBondContact O-N 3.23Å
645E75.4Confident77.8Confident135 Ų13575.1 Ų75.163%0.63142%0.415SS*.G310 helixtrans-63.4-18.6179.3-36.669.5-126.700112.6T643T643-E645 VanDerWaalsContact C-N 3.33Å; T643-E645 WeakPolarHBondContact CB-OE2 3.31Å; T643-E645 PolarHBondContact O-N 3.24Å; T643-E645 PolarHBondContact OG1-OE2 3.46Å
646K75.9Confident77.2Confident62 Ų6272.2 Ų72.227%0.2741%0.408SS..G310 helixtrans-110.226.5176.3-59.4-169.9-168.1-172.40112T643 P644 G648 F649 T651 Y654T643-K646 CarbonylContact O-C 3.55Å; T643-K646 PolarHBondContact O-N 3.27Å; T643-K646 VanDerWaalsContact O-N 3.09Å; P644-K646 PolarHBondContact O-N 3.41Å; P644-K646 VanDerWaalsContact O-N 3.11Å; K646-G648 PolarHBondContact O-N 3.38Å; K646-G648 VanDerWaalsContact O-N 3.14Å; K646-F649 WeakPolarHBondContact CB-O 3.48Å; K646-F649 WeakPolarHBondContact O-CB 3.49Å; K646-F649 PolarHBondContact O-N 3.37Å; K646-T651 PolarHBondContact NZ-OG1 3.28Å; K646-Y654 HydrophobicContact CB-CD1 4.06Å; K646-Y654 HydrophobicContact CB-CD2 3.89Å; K646-Y654 HydrophobicContact CB-CE1 4.5Å; K646-Y654 HydrophobicContact CB-CE2 4.38Å; K646-Y654 HydrophobicContact CB-CG 3.71Å; K646-Y654 HydrophobicContact CD-CD1 4.11Å; K646-Y654 HydrophobicContact CD-CG 4.36Å; K646-Y654 HydrophobicContact CG-CD1 3.92Å; K646-Y654 HydrophobicContact CG-CE1 4.25Å; K646-Y654 HydrophobicContact CG-CG 4.1Å; K646-Y654 WeakPolarHBondContact O-CD2 3.31Å
647L80.9Confident77.1Confident93 Ų9370.4 Ų70.449%0.48738%0.383SS..THydrogen-bonded Turntrans56.228.6176-52.8176.9000114.1T643 P644 F649 Y654 Y657T643-L647 PolarHBondContact O-N 3Å; P644-L647 PolarHBondContact O-N 3.23Å; L647-F649 VanDerWaalsContact C-N 3.34Å; L647-F649 HydrophobicContact CB-CD2 4.28Å; L647-Y654 HydrophobicContact CD1-CE2 4.1Å; L647-Y654 HydrophobicContact CG-CE2 4.08Å; L647-Y657 HydrophobicContact CD1-CE1 3.75Å
648G79.2Confident76.8Confident24 Ų2470.5 Ų70.525%0.24736%0.361CS..THydrogen-bonded Turntrans79.79.2-175.900000114.8C633 K634 T643 K646C633-G648 WeakPolarHBondContact CA-O 3.48Å; K634-G648 WeakPolarHBondContact CB-O 3.46Å; K634-G648 PolarHBondContact N-O 3.11Å; T643-G648 PolarHBondContact O-N 3.39Å; K646-G648 PolarHBondContact O-N 3.38Å; K646-G648 VanDerWaalsContact O-N 3.14Å
649F79.9Confident76Confident22 Ų2273.8 Ų73.810%0.09638%0.381CS..  trans-94.7148.5170.6-64.3-79.7000111.6K634 R635 G642 K646 L647 C653 Y654 Y657K634-F649 HydrophobicContact CB-CD1 3.97Å; K634-F649 HydrophobicContact CB-CE1 3.84Å; K634-F649 HydrophobicContact CB-CG 4.43Å; K634-F649 HydrophobicContact CB-CZ 4.2Å; K634-F649 HydrophobicContact CD-CE1 4.49Å; K634-F649 HydrophobicContact CD-CE2 4.19Å; K634-F649 HydrophobicContact CD-CZ 4.02Å; K634-F649 HydrophobicContact CG-CE1 4.2Å; K634-F649 HydrophobicContact CG-CZ 4.19Å; R635-F649 HydrophobicContact CB-CD1 4.42Å; R635-F649 HydrophobicContact CB-CE1 4.41Å; G642-F649 VanDerWaalsContact CA-C 3.41Å; G642-F649 VanDerWaalsContact CA-O 3.31Å; G642-F649 WeakPolarHBondContact CA-O 3.47Å; K646-F649 WeakPolarHBondContact CB-O 3.48Å; K646-F649 WeakPolarHBondContact O-CB 3.49Å; K646-F649 PolarHBondContact O-N 3.37Å; L647-F649 VanDerWaalsContact C-N 3.34Å; L647-F649 HydrophobicContact CB-CD2 4.28Å; F649-C653 HydrophobicContact CB-CB 4.15Å; F649-C653 HydrophobicContact CD1-CB 3.96Å; F649-C653 HydrophobicContact CG-CB 4.46Å; F649-Y654 HydrophobicContact CD2-CD2 4.45Å; F649-Y657 HydrophobicContact CD2-CD2 4.37Å; F649-Y657 HydrophobicContact CD2-CG 4.21Å; F649-Y657 HydrophobicContact CE2-CD1 4.27Å; F649-Y657 AromaticContact CE2-CD2 3.46Å; F649-Y657 HydrophobicContact CE2-CD2 3.46Å; F649-Y657 VanDerWaalsContact CE2-CD2 3.46Å; F649-Y657 AromaticContact CE2-CE2 3.81Å; F649-Y657 HydrophobicContact CE2-CE2 3.81Å; F649-Y657 AromaticContact CE2-CG 3.72Å; F649-Y657 HydrophobicContact CE2-CG 3.72Å; F649-Y657 AromaticContact CZ-CD2 3.58Å; F649-Y657 HydrophobicContact CZ-CD2 3.58Å; F649-Y657 HydrophobicContact CZ-CE2 4.08Å; F649-Y657 HydrophobicContact CZ-CG 4.15Å
650C82.6Confident74.9Confident11 Ų1171.6 Ų71.67%0.07437%0.374CS..  trans-67.9158.7164.875.40000110.1C633 F640 F641 I652 C653 Y654C633-C650 HydrophobicContact CB-CB 4.08Å; C633-C650 PolarHBondContact SG-N 3.04Å; F640-C650 HydrophobicContact CB-CB 3.73Å; F641-C650 VanDerWaalsContact O-CA 3.28Å; F641-C650 WeakPolarHBondContact O-CA 3.31Å; F641-C650 WeakPolarHBondContact O-CB 3.23Å; C650-I652 PolarHBondContact O-N 3.2Å; C650-C653 PolarHBondContact O-N 2.78Å; C650-Y654 WeakPolarHBondContact O-CB 3.1Å; C650-Y654 PolarHBondContact O-N 2.9Å
651T75.7Confident73.7Confident83 Ų8370.9 Ų70.951%0.50937%0.372SS..Hα-helixtrans-47-43.5-176-58.40000113.9K646 V655K646-T651 PolarHBondContact NZ-OG1 3.28Å; T651-V655 WeakPolarHBondContact O-CG2 3.25Å; T651-V655 PolarHBondContact O-N 3.2Å
652I75.4Confident71.8Confident121 Ų12175.4 Ų75.462%0.62139%0.385SS*.Hα-helixtrans-67.8-46.7-179.2-57.6172000111.1C650 Y654 V655 D656C650-I652 PolarHBondContact O-N 3.2Å; I652-Y654 VanDerWaalsContact C-N 3.31Å; I652-Y654 PolarHBondContact O-N 2.82Å; I652-V655 PolarHBondContact O-N 2.86Å; I652-D656 PolarHBondContact O-N 3.35Å
653C73.6Confident69.9Low9 Ų982.3 Ų82.36%0.06142%0.42CS..Hα-helixtrans-72.9-24.9-179.6-63.30000112.6R635 C638 F649 C650 Y657R635-C653 HydrophobicContact CB-CB 4.34Å; R635-C653 WeakPolarHBondContact CD-SG 3.04Å; C638-C653 VanDerWaalsContact SG-SG 3.67Å; F649-C653 HydrophobicContact CB-CB 4.15Å; F649-C653 HydrophobicContact CD1-CB 3.96Å; F649-C653 HydrophobicContact CG-CB 4.46Å; C650-C653 PolarHBondContact O-N 2.78Å; C653-Y657 VanDerWaalsContact O-CB 3.24Å; C653-Y657 WeakPolarHBondContact O-CB 3.5Å; C653-Y657 PolarHBondContact O-N 2.86Å
654Y81.9Confident67.7Low49 Ų4985 Ų8519%0.19244%0.437CS..Hα-helixtrans-70.5-42.2174.3-175.3-115.4000112K646 L647 F649 C650 I652 Y657 Q658K646-Y654 HydrophobicContact CB-CD1 4.06Å; K646-Y654 HydrophobicContact CB-CD2 3.89Å; K646-Y654 HydrophobicContact CB-CE1 4.5Å; K646-Y654 HydrophobicContact CB-CE2 4.38Å; K646-Y654 HydrophobicContact CB-CG 3.71Å; K646-Y654 HydrophobicContact CD-CD1 4.11Å; K646-Y654 HydrophobicContact CD-CG 4.36Å; K646-Y654 HydrophobicContact CG-CD1 3.92Å; K646-Y654 HydrophobicContact CG-CE1 4.25Å; K646-Y654 HydrophobicContact CG-CG 4.1Å; K646-Y654 WeakPolarHBondContact O-CD2 3.31Å; L647-Y654 HydrophobicContact CD1-CE2 4.1Å; L647-Y654 HydrophobicContact CG-CE2 4.08Å; F649-Y654 HydrophobicContact CD2-CD2 4.45Å; C650-Y654 WeakPolarHBondContact O-CB 3.1Å; C650-Y654 PolarHBondContact O-N 2.9Å; I652-Y654 VanDerWaalsContact C-N 3.31Å; I652-Y654 PolarHBondContact O-N 2.82Å; Y654-Y657 HydrophobicContact CD2-CD1 4.48Å; Y654-Y657 WeakPolarHBondContact O-CB 3.2Å; Y654-Y657 PolarHBondContact O-N 3.15Å; Y654-Q658 HydrophobicContact CD1-CG 4.43Å; Y654-Q658 VanDerWaalsContact CE1-CD 3.44Å; Y654-Q658 HydrophobicContact CE1-CG 4.1Å; Y654-Q658 VanDerWaalsContact CE1-NE2 3.28Å; Y654-Q658 HydrophobicContact CE2-CG 4.25Å; Y654-Q658 WeakPolarHBondContact O-CB 3.31Å; Y654-Q658 WeakPolarHBondContact O-CG 3.33Å; Y654-Q658 PolarHBondContact O-N 2.84Å; Y654-Q658 PolarHBondContact OH-NE2 3.01Å
655V75.1Confident66Low82 Ų8286.5 Ų86.550%0.49745%0.447SS..Hα-helixtrans-61.2-46.9173.6172.10000110.4T651 I652 Y657 Q658 T659T651-V655 WeakPolarHBondContact O-CG2 3.25Å; T651-V655 PolarHBondContact O-N 3.2Å; I652-V655 PolarHBondContact O-N 2.86Å; V655-Y657 PolarHBondContact O-N 3.02Å; V655-Q658 WeakPolarHBondContact O-CB 3.48Å; V655-Q658 PolarHBondContact O-N 2.97Å; V655-Q658 VanDerWaalsContact O-N 3.13Å; V655-T659 PolarHBondContact O-N 3.39Å; V655-T659 PolarHBondContact O-OG1 3.36Å; V655-T659 VanDerWaalsContact O-OG1 3.05Å
656D69.3Low64Low53 Ų5385.6 Ų85.628%0.28345%0.452SS..Hα-helixtrans-59.7-44176.8-165.15.5000111.8R635 I652 Q658 T659 N660R635-D656 IonicContact CZ-OD2 2.71Å; R635-D656 IonicContact NH1-OD2 3.52Å; R635-D656 PolarHBondContact NH1-OD2 3.46Å; R635-D656 IonicContact NH2-OD2 2.61Å; R635-D656 PolarHBondContact NH2-OD2 3.12Å; I652-D656 PolarHBondContact O-N 3.35Å; D656-Q658 PolarHBondContact O-N 2.89Å; D656-T659 WeakPolarHBondContact CA-OG1 3.29Å; D656-T659 PolarHBondContact O-N 2.92Å; D656-T659 PolarHBondContact O-OG1 2.92Å; D656-N660 PolarHBondContact O-N 3.5Å; D656-N660 PolarHBondContact O-ND2 3.4Å; D656-N660 PolarHBondContact OD1-ND2 2.96Å
657Y73.1Confident62Low81 Ų8188.4 Ų88.432%0.31848%0.477SS..Hα-helixtrans-58.7-44.4172.2175-90.8000112.4L647 F649 C653 Y654 V655 N660 H661L647-Y657 HydrophobicContact CD1-CE1 3.75Å; F649-Y657 HydrophobicContact CD2-CD2 4.37Å; F649-Y657 HydrophobicContact CD2-CG 4.21Å; F649-Y657 HydrophobicContact CE2-CD1 4.27Å; F649-Y657 AromaticContact CE2-CD2 3.46Å; F649-Y657 HydrophobicContact CE2-CD2 3.46Å; F649-Y657 VanDerWaalsContact CE2-CD2 3.46Å; F649-Y657 AromaticContact CE2-CE2 3.81Å; F649-Y657 HydrophobicContact CE2-CE2 3.81Å; F649-Y657 AromaticContact CE2-CG 3.72Å; F649-Y657 HydrophobicContact CE2-CG 3.72Å; F649-Y657 AromaticContact CZ-CD2 3.58Å; F649-Y657 HydrophobicContact CZ-CD2 3.58Å; F649-Y657 HydrophobicContact CZ-CE2 4.08Å; F649-Y657 HydrophobicContact CZ-CG 4.15Å; C653-Y657 VanDerWaalsContact O-CB 3.24Å; C653-Y657 WeakPolarHBondContact O-CB 3.5Å; C653-Y657 PolarHBondContact O-N 2.86Å; Y654-Y657 HydrophobicContact CD2-CD1 4.48Å; Y654-Y657 WeakPolarHBondContact O-CB 3.2Å; Y654-Y657 PolarHBondContact O-N 3.15Å; V655-Y657 PolarHBondContact O-N 3.02Å; Y657-N660 PolarHBondContact O-N 2.78Å; Y657-H661 AromaticContact CD2-CD2 3.46Å; Y657-H661 VanDerWaalsContact CD2-CD2 3.46Å; Y657-H661 WeakPolarHBondContact CD2-CD2 3.33Å; Y657-H661 AromaticContact CE2-CD2 3.21Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.22Å; Y657-H661 AromaticContact CE2-NE2 3.62Å; Y657-H661 AromaticContact CZ-CD2 3.73Å; Y657-H661 PolarHBondContact O-N 3.35Å
658Q69.6Low59.8Low85 Ų8590.2 Ų90.240%0.39749%0.494SS..Hα-helixtrans-65.1-36.5178.2-76.3-174.8-39.500113.3Y654 V655 D656Y654-Q658 HydrophobicContact CD1-CG 4.43Å; Y654-Q658 VanDerWaalsContact CE1-CD 3.44Å; Y654-Q658 HydrophobicContact CE1-CG 4.1Å; Y654-Q658 VanDerWaalsContact CE1-NE2 3.28Å; Y654-Q658 HydrophobicContact CE2-CG 4.25Å; Y654-Q658 WeakPolarHBondContact O-CB 3.31Å; Y654-Q658 WeakPolarHBondContact O-CG 3.33Å; Y654-Q658 PolarHBondContact O-N 2.84Å; Y654-Q658 PolarHBondContact OH-NE2 3.01Å; V655-Q658 WeakPolarHBondContact O-CB 3.48Å; V655-Q658 PolarHBondContact O-N 2.97Å; V655-Q658 VanDerWaalsContact O-N 3.13Å; D656-Q658 PolarHBondContact O-N 2.89Å
659T61.6Low57.5Low93 Ų9393.4 Ų93.457%0.57152%0.519SS*.Hα-helixtrans-66-39.617426.70000112.4V655 D656V655-T659 PolarHBondContact O-N 3.39Å; V655-T659 PolarHBondContact O-OG1 3.36Å; V655-T659 VanDerWaalsContact O-OG1 3.05Å; D656-T659 WeakPolarHBondContact CA-OG1 3.29Å; D656-T659 PolarHBondContact O-N 2.92Å; D656-T659 PolarHBondContact O-OG1 2.92Å
660N53Low55.2Low103 Ų10398.4 Ų98.455%0.55155%0.553SS**Hα-helixtrans-82.3-34.6-175.4-70.3-71.9000113.4D656 Y657D656-N660 PolarHBondContact O-N 3.5Å; D656-N660 PolarHBondContact O-ND2 3.4Å; D656-N660 PolarHBondContact OD1-ND2 2.96Å; Y657-N660 PolarHBondContact O-N 2.78Å
661H51.9Low52.7Low115 Ų115104.1 Ų104.153%0.53259%0.587SS.*THydrogen-bonded Turntrans-88.55.6-178.1-83.4-72.7000115.9Y657 L663Y657-H661 AromaticContact CD2-CD2 3.46Å; Y657-H661 VanDerWaalsContact CD2-CD2 3.46Å; Y657-H661 WeakPolarHBondContact CD2-CD2 3.33Å; Y657-H661 AromaticContact CE2-CD2 3.21Å; Y657-H661 WeakPolarHBondContact CE2-CD2 3.22Å; Y657-H661 AromaticContact CE2-NE2 3.62Å; Y657-H661 AromaticContact CZ-CD2 3.73Å; Y657-H661 PolarHBondContact O-N 3.35Å; H661-L663 PolarHBondContact O-N 3.35Å
662R42.1Very low50.4Low219 Ų219109.8 Ų109.883%0.82661%0.608SS**THydrogen-bonded Turntrans-81.88.8168.7-84.3-173.3168.5-162.6-3114.2
663L41.1Very low48.2Very low151 Ų151109 Ų10979%0.79161%0.613SS**  trans-125.565.4-178.3-67.2174.1000112.1H661H661-L663 PolarHBondContact O-N 3.35Å
664T32.2Very low46.1Very low113 Ų113120.4 Ų120.469%0.69366%0.655SS**  trans-154120166.9-29.70000111.5
665P35.4Very low43.6Very low113 Ų113130 Ų13073%0.73469%0.691SS**PPolyproline II helixtrans-90.2159.5176.235.5-34.3000112.9
666P33.9Very low41.3Very low115 Ų115129.6 Ų129.675%0.74770%0.703SS**PPolyproline II helixtrans-75163.2172.532.2-35.5000113.1
667P34.7Very low39.5Very low121 Ų121135.1 Ų135.179%0.78673%0.731SS**PPolyproline II helixtrans-71.2161.2-176.929.2-36000114.3
668P34.8Very low37.3Very low131 Ų131140.1 Ų140.185%0.85176%0.758SS**PPolyproline II helixtrans-89.3154.5-162.934.8-37.3000115.8
669A29.5Very low35.5Very low92 Ų92142.3 Ų142.376%0.7678%0.777SS**  trans-114157.1160.700000109.8V671A669-V671 PolarHBondContact O-N 3.28Å
670P33.4Very low34Very low127 Ų127141.1 Ų141.183%0.82578%0.783SS**  trans-80.7123.1-159.129.1-35.1000115.8
671V29Very low33.1Very low130 Ų130146.3 Ų146.379%0.78880%0.801SS**  trans20.6117.1142.7-172.70000118.3A669A669-V671 PolarHBondContact O-N 3.28Å
672Q28.5Very low32.5Very low203 Ų203150 Ų15095%0.94982%0.819SS**  trans-144.5157.8132.5-115.5174.265.900111.1
673S28.7Very low32.5Very low103 Ų103146.7 Ų146.772%0.7282%0.817SS**  trans-114.1137.4-153.9-178.80000114.3
674R28.3Very low32.8Very low250 Ų250143.9 Ų143.994%0.94382%0.816SS**  trans-157.1142.3150.7-106.4158.1-162.4-147.71.7110.3
675R30.2Very low34.1Very low251 Ų251142.8 Ų142.895%0.94781%0.81SS**  trans-87.7136.3-177.3-64.8-179.8177.2-173.6-1.6110.8
676G27.8Very low35.9Very low73 Ų73146.1 Ų146.175%0.75381%0.807SS**  trans-130137.4169.100000109.8
677L30.3Very low37.9Very low168 Ų168141 Ų14188%0.8878%0.775SS**  trans-73.4123.7-167.6-169.772.9000112.6
678E27.5Very low39.9Very low186 Ų186142.8 Ų142.887%0.86977%0.765SS**  trans-84.4135.9168.8-67.8-173.8125.600111.8
679T31.9Very low41.9Very low132 Ų132137.3 Ų137.381%0.8173%0.733SS**  trans-117.898160.340.70000108.7
680G30.7Very low43.3Very low67 Ų67138.8 Ų138.869%0.69174%0.738SS**PPolyproline II helixtrans-69.1141.2-166.500000115.3Q682G680-Q682 PolarHBondContact O-N 2.85Å
681F32.6Very low44.5Very low212 Ų212135.7 Ų135.793%0.9373%0.729SS**PPolyproline II helixtrans-59.1123160.5-80.5-100.9000109.1
682Q40.7Very low45.8Very low193 Ų193132.8 Ų132.890%0.90271%0.714SS**PPolyproline II helixtrans-75.3133.8-178.1-68.1-167.92.200111.8G680G680-Q682 PolarHBondContact O-N 2.85Å
683N40.5Very low47.3Very low149 Ų149127 Ų12780%0.79771%0.71SS**PPolyproline II helixtrans-58.1150.5-178.5-72.6-51.5000113.3T685N683-T685 PolarHBondContact O-N 3.15Å
684A48Very low49.3Very low93 Ų93123.5 Ų123.577%0.76969%0.685SS**PPolyproline II helixtrans-54.5122170.400000110.5V697A684-V697 HydrophobicContact CB-CG1 4.45Å
685T60.5Low51.2Low90 Ų90115.8 Ų115.855%0.55267%0.674SS**PPolyproline II helixtrans-86.7146.1-170.322.50000112.6N683 G698N683-T685 PolarHBondContact O-N 3.15Å; T685-G698 PolarHBondContact O-N 2.72Å
686R73.4Confident53.4Low182 Ų182105.9 Ų105.969%0.68765%0.646SS**BIsolated β-bridgetrans-55.5142.1166.4177.4-177.5-82.8179.1-6.9109.3R688 C694R686-R688 PolarHBondContact O-N 3.36Å; R686-C694 WeakPolarHBondContact CG-O 3.44Å
687C76Confident55.8Low9 Ų9107.1 Ų107.16%0.06164%0.638CS.*PPolyproline II helixtrans-48126.6177.21690000112.6G689 C694 A696 G704 C706 C709C687-G689 PolarHBondContact O-N 2.9Å; C687-C694 HydrophobicContact CB-CB 4.15Å; C687-A696 WeakPolarHBondContact CB-O 3.46Å; C687-A696 PolarHBondContact N-O 3.41Å; C687-G704 WeakPolarHBondContact CA-O 3.37Å; C687-C706 HydrophobicContact CB-CB 4.17Å; C687-C706 PolarHBondContact SG-N 2.81Å; C687-C706 VanDerWaalsContact SG-SG 3.65Å; C687-C709 WeakPolarHBondContact SG-CB 3.25Å; C687-C709 VanDerWaalsContact SG-SG 3.66Å
688R76.6Confident57.8Low157 Ų15799.7 Ų99.759%0.59260%0.603SS**  trans-66.712.3-178.9-78.8174.4154.4-163.2-8.8116.3R686 S690 E703 G704 Y705R686-R688 PolarHBondContact O-N 3.36Å; R688-S690 PolarHBondContact O-N 2.89Å; R688-S690 VanDerWaalsContact O-N 3.08Å; R688-E703 VanDerWaalsContact CD-O 3.22Å; R688-E703 WeakPolarHBondContact CD-O 3.13Å; R688-E703 PolarHBondContact NH1-O 3.3Å; R688-E703 VanDerWaalsContact NH1-O 3.13Å; R688-G704 PolarHBondContact N-O 3.45Å; R688-Y705 VanDerWaalsContact C-CE1 3.44Å; R688-Y705 HydrophobicContact CB-CD1 3.94Å; R688-Y705 HydrophobicContact CB-CD2 4.28Å; R688-Y705 HydrophobicContact CB-CE1 3.82Å; R688-Y705 HydrophobicContact CB-CE2 4.13Å; R688-Y705 HydrophobicContact CB-CG 4.2Å; R688-Y705 VanDerWaalsContact O-CE1 3.25Å; R688-Y705 WeakPolarHBondContact O-CE1 3.44Å
689G75.1Confident59.5Low17 Ų1794.6 Ų94.618%0.17558%0.578CS.*  trans-70.4100-177.200000113.4C687 G691C687-G689 PolarHBondContact O-N 2.9Å; G689-G691 PolarHBondContact O-N 3.13Å; G689-G691 VanDerWaalsContact O-N 3.12Å
690S60.3Low60.9Low123 Ų12393 Ų9386%0.8658%0.578SS**THydrogen-bonded Turntrans-68.4-5-173.1-48.40000117.1R688R688-S690 PolarHBondContact O-N 2.89Å; R688-S690 VanDerWaalsContact O-N 3.08Å
691G57.7Low61.9Low61 Ų6195.1 Ų95.163%0.62957%0.571SS**THydrogen-bonded Turntrans-92.9-39-168.700000116G689G689-G691 PolarHBondContact O-N 3.13Å; G689-G691 VanDerWaalsContact O-N 3.12Å
692S56Low63.4Low70 Ų7085.4 Ų85.449%0.4953%0.529SS..THydrogen-bonded Turntrans-154.7148.6178.834.30000109.6E385 C694E385-S692 PolarHBondContact OE2-OG 3.48Å; S692-C694 VanDerWaalsContact C-N 3.33Å; S692-C694 PolarHBondContact O-N 2.95Å
693G60.8Low65Low82 Ų8280 Ų8085%0.84550%0.504SS*.THydrogen-bonded Turntrans-6177.6-160.900000115.9A695G693-A695 PolarHBondContact O-N 3.43Å; G693-A695 VanDerWaalsContact O-N 3.09Å
694C71.1Confident66.5Low29 Ų2973.2 Ų73.220%0.19647%0.47CS..  trans-75.5102.3-172-1650000111.2R686 C687 S692 A696 C706 C709R686-C694 WeakPolarHBondContact CG-O 3.44Å; C687-C694 HydrophobicContact CB-CB 4.15Å; S692-C694 VanDerWaalsContact C-N 3.33Å; S692-C694 PolarHBondContact O-N 2.95Å; C694-A696 PolarHBondContact O-N 3Å; C694-C706 VanDerWaalsContact SG-SG 3.63Å; C694-C709 VanDerWaalsContact SG-SG 3.67Å
695A68.5Low67.9Low88 Ų8869.9 Ų69.973%0.72744%0.437SS*.  trans-72.8-6.4176.300000114G693G693-A695 PolarHBondContact O-N 3.43Å; G693-A695 VanDerWaalsContact O-N 3.09Å
696A76.3Confident68.7Low42 Ų4266.2 Ų66.235%0.34742%0.415SS..SBendtrans-67.5150.5177.600000112.1C687 C694 C706C687-A696 WeakPolarHBondContact CB-O 3.46Å; C687-A696 PolarHBondContact N-O 3.41Å; C694-A696 PolarHBondContact O-N 3Å; A696-C706 HydrophobicContact CB-CB 3.65Å
697V77.8Confident68.1Low99 Ų9960.8 Ų60.860%0.640%0.399SS*.BIsolated β-bridgetrans-71.4137.2175-175.10000109.8A684A684-V697 HydrophobicContact CB-CG1 4.45Å
698G72.3Confident67.6Low13 Ų1368.6 Ų68.613%0.13443%0.432CS..PPolyproline II helixtrans-76129.9172.200000111.4T685 G704T685-G698 PolarHBondContact O-N 2.72Å; G698-G704 VanDerWaalsContact CA-O 3.3Å; G698-G704 WeakPolarHBondContact CA-O 3.3Å
699K63.6Low67.4Low79 Ų7962.3 Ų62.334%0.34341%0.412SS..BIsolated β-bridgetrans-84.7129.9172.5-60.6-176.3-174.4172.70109.1M701 L702 G704 Y705 D707K699-M701 VanDerWaalsContact C-N 3.27Å; K699-M701 HydrophobicContact CB-CG 4.16Å; K699-M701 PolarHBondContact O-N 3.34Å; K699-L702 HydrophobicContact CB-CB 4.14Å; K699-L702 HydrophobicContact CB-CD1 4.24Å; K699-L702 HydrophobicContact CB-CG 4.02Å; K699-L702 HydrophobicContact CD-CD1 3.93Å; K699-L702 HydrophobicContact CD-CG 4.36Å; K699-L702 HydrophobicContact CG-CD1 4.46Å; K699-L702 CarbonylContact O-C 3.58Å; K699-L702 WeakPolarHBondContact O-CA 3.27Å; K699-L702 PolarHBondContact O-N 3.04Å; K699-G704 WeakPolarHBondContact O-CA 3.42Å; K699-G704 PolarHBondContact O-N 3.36Å; K699-Y705 PolarHBondContact N-O 3.26Å; K699-D707 WeakPolarHBondContact CE-OD2 3.5Å; K699-D707 IonicContact NZ-OD1 3.19Å; K699-D707 PolarHBondContact NZ-OD1 2.68Å; K699-D707 IonicContact NZ-OD2 2.7Å; K699-D707 PolarHBondContact NZ-OD2 3.06Å
700A60.3Low67.3Low99 Ų9963 Ų6382%0.81841%0.41SS*.G310 helixtrans-58.2-39.1179.400000112.6L702 E703A700-L702 PolarHBondContact O-N 3.28Å; A700-E703 PolarHBondContact O-N 2.93Å
701M51.5Low67.4Low111 Ų11160.1 Ų60.155%0.54739%0.387SS..G310 helixtrans-65.4-17174.771.6-169.6-63.600114.4K699K699-M701 VanDerWaalsContact C-N 3.27Å; K699-M701 HydrophobicContact CB-CG 4.16Å; K699-M701 PolarHBondContact O-N 3.34Å
702L65.1Low67.8Low8 Ų862.8 Ų62.84%0.04238%0.381CS..G310 helixtrans-108.838.4177.2-57.9-173.3000110.6K699 A700 G704 Y705 D707 Y710K699-L702 HydrophobicContact CB-CB 4.14Å; K699-L702 HydrophobicContact CB-CD1 4.24Å; K699-L702 HydrophobicContact CB-CG 4.02Å; K699-L702 HydrophobicContact CD-CD1 3.93Å; K699-L702 HydrophobicContact CD-CG 4.36Å; K699-L702 HydrophobicContact CG-CD1 4.46Å; K699-L702 CarbonylContact O-C 3.58Å; K699-L702 WeakPolarHBondContact O-CA 3.27Å; K699-L702 PolarHBondContact O-N 3.04Å; A700-L702 PolarHBondContact O-N 3.28Å; L702-G704 PolarHBondContact O-N 3.16Å; L702-Y705 WeakPolarHBondContact O-CB 3.18Å; L702-Y705 WeakPolarHBondContact O-CD2 3.18Å; L702-Y705 PolarHBondContact O-N 2.84Å; L702-D707 HydrophobicContact CD1-CB 4.44Å; L702-Y710 HydrophobicContact CB-CD2 3.68Å; L702-Y710 HydrophobicContact CB-CE2 4.21Å; L702-Y710 HydrophobicContact CB-CG 3.93Å; L702-Y710 HydrophobicContact CD1-CG 4.24Å; L702-Y710 HydrophobicContact CD2-CD1 3.9Å; L702-Y710 HydrophobicContact CD2-CD2 4.19Å; L702-Y710 HydrophobicContact CD2-CE1 3.94Å; L702-Y710 HydrophobicContact CD2-CE2 4.24Å; L702-Y710 HydrophobicContact CD2-CG 4.01Å; L702-Y710 HydrophobicContact CG-CD2 4.42Å; L702-Y710 HydrophobicContact CG-CG 4.28Å
703E74.2Confident68.8Low78 Ų7862 Ų6236%0.36437%0.37SS..THydrogen-bonded Turntrans56.914.7-179.2-57.5171.5-139.500115.6R688 A700 Y705 Q714 R717R688-E703 VanDerWaalsContact CD-O 3.22Å; R688-E703 WeakPolarHBondContact CD-O 3.13Å; R688-E703 PolarHBondContact NH1-O 3.3Å; R688-E703 VanDerWaalsContact NH1-O 3.13Å; A700-E703 PolarHBondContact O-N 2.93Å; E703-Y705 HydrophobicContact CB-CD2 4.01Å; E703-Y705 HydrophobicContact CB-CE2 4.15Å; E703-Q714 PolarHBondContact OE1-NE2 3.25Å; E703-R717 VanDerWaalsContact CD-NH1 3.26Å; E703-R717 IonicContact OE1-CZ 2.63Å; E703-R717 IonicContact OE1-NH1 3.55Å; E703-R717 PolarHBondContact OE1-NH1 2.87Å; E703-R717 IonicContact OE1-NH2 2.93Å; E703-R717 IonicContact OE2-CZ 3.05Å; E703-R717 VanDerWaalsContact OE2-CZ 3.29Å; E703-R717 IonicContact OE2-NH1 2.68Å; E703-R717 PolarHBondContact OE2-NH1 3.41Å; E703-R717 IonicContact OE2-NH2 3.15Å; E703-R717 PolarHBondContact OE2-NH2 3.04Å
704G71.8Confident68.8Low8 Ų860.4 Ų60.48%0.08234%0.34CS..THydrogen-bonded Turntrans89.516.2-172.700000114.8C687 R688 G698 K699 L702C687-G704 WeakPolarHBondContact CA-O 3.37Å; R688-G704 PolarHBondContact N-O 3.45Å; G698-G704 VanDerWaalsContact CA-O 3.3Å; G698-G704 WeakPolarHBondContact CA-O 3.3Å; K699-G704 WeakPolarHBondContact O-CA 3.42Å; K699-G704 PolarHBondContact O-N 3.36Å; L702-G704 PolarHBondContact O-N 3.16Å
705Y76.9Confident67.9Low23 Ų2361.2 Ų61.29%0.0935%0.346CS..BIsolated β-bridgetrans-97.2159.4169.4-62.3-95.2000111.4R688 K699 L702 E703 C709 E713R688-Y705 VanDerWaalsContact C-CE1 3.44Å; R688-Y705 HydrophobicContact CB-CD1 3.94Å; R688-Y705 HydrophobicContact CB-CD2 4.28Å; R688-Y705 HydrophobicContact CB-CE1 3.82Å; R688-Y705 HydrophobicContact CB-CE2 4.13Å; R688-Y705 HydrophobicContact CB-CG 4.2Å; R688-Y705 VanDerWaalsContact O-CE1 3.25Å; R688-Y705 WeakPolarHBondContact O-CE1 3.44Å; K699-Y705 PolarHBondContact N-O 3.26Å; L702-Y705 WeakPolarHBondContact O-CB 3.18Å; L702-Y705 WeakPolarHBondContact O-CD2 3.18Å; L702-Y705 PolarHBondContact O-N 2.84Å; E703-Y705 HydrophobicContact CB-CD2 4.01Å; E703-Y705 HydrophobicContact CB-CE2 4.15Å; Y705-C709 HydrophobicContact CD1-CB 3.95Å; Y705-E713 HydrophobicContact CE1-CB 4.24Å; Y705-E713 HydrophobicContact CE1-CG 4.2Å; Y705-E713 HydrophobicContact CE2-CG 4.07Å; Y705-E713 PolarHBondContact OH-OE2 2.77Å
706C77.4Confident67.6Low12 Ų1259 Ų598%0.08133%0.328CS..  trans-82.8164.6162.574.80000109.9C687 C694 A696 K708 C709 Y710C687-C706 HydrophobicContact CB-CB 4.17Å; C687-C706 PolarHBondContact SG-N 2.81Å; C687-C706 VanDerWaalsContact SG-SG 3.65Å; C694-C706 VanDerWaalsContact SG-SG 3.63Å; A696-C706 HydrophobicContact CB-CB 3.65Å; C706-K708 VanDerWaalsContact C-N 3.3Å; C706-K708 PolarHBondContact O-N 3.26Å; C706-C709 PolarHBondContact O-N 3.16Å; C706-Y710 WeakPolarHBondContact O-CB 3.29Å; C706-Y710 PolarHBondContact O-N 3.42Å
707D61.1Low67.1Low68 Ų6860.6 Ų60.636%0.36433%0.325SS..Hα-helixtrans-54.5-43.2-172.6-48-92.2000112.9K699 L702 Y710 V711K699-D707 WeakPolarHBondContact CE-OD2 3.5Å; K699-D707 IonicContact NZ-OD1 3.19Å; K699-D707 PolarHBondContact NZ-OD1 2.68Å; K699-D707 IonicContact NZ-OD2 2.7Å; K699-D707 PolarHBondContact NZ-OD2 3.06Å; L702-D707 HydrophobicContact CD1-CB 4.44Å; D707-Y710 PolarHBondContact O-N 3.27Å; D707-V711 WeakPolarHBondContact O-CG2 3.34Å; D707-V711 PolarHBondContact O-N 2.8Å
708K66.3Low65.6Low173 Ų17359.2 Ų59.275%0.75231%0.314SS*.Hα-helixtrans-65.1-41.5178.6-174.1176.4-178.8178.80112.9C706 K712C706-K708 VanDerWaalsContact C-N 3.3Å; C706-K708 PolarHBondContact O-N 3.26Å; K708-K712 PolarHBondContact O-N 2.98Å
709C70.8Confident64.4Low25 Ų2563.3 Ų63.317%0.16933%0.333CS..Hα-helixtrans-77.5-33.3179.3-68.80000112C687 C694 Y705 C706 K712 E713C687-C709 WeakPolarHBondContact SG-CB 3.25Å; C687-C709 VanDerWaalsContact SG-SG 3.66Å; C694-C709 VanDerWaalsContact SG-SG 3.67Å; Y705-C709 HydrophobicContact CD1-CB 3.95Å; C706-C709 PolarHBondContact O-N 3.16Å; C709-K712 PolarHBondContact O-N 2.58Å; C709-E713 VanDerWaalsContact O-CB 3.27Å; C709-E713 WeakPolarHBondContact O-CB 3.31Å; C709-E713 PolarHBondContact O-N 3.37Å
710Y73.6Confident63.7Low32 Ų3265.6 Ų65.613%0.12534%0.344CS..Hα-helixtrans-61.9-43.4173.3-177.1-99.8000111.1L702 C706 D707 E713 Q714L702-Y710 HydrophobicContact CB-CD2 3.68Å; L702-Y710 HydrophobicContact CB-CE2 4.21Å; L702-Y710 HydrophobicContact CB-CG 3.93Å; L702-Y710 HydrophobicContact CD1-CG 4.24Å; L702-Y710 HydrophobicContact CD2-CD1 3.9Å; L702-Y710 HydrophobicContact CD2-CD2 4.19Å; L702-Y710 HydrophobicContact CD2-CE1 3.94Å; L702-Y710 HydrophobicContact CD2-CE2 4.24Å; L702-Y710 HydrophobicContact CD2-CG 4.01Å; L702-Y710 HydrophobicContact CG-CD2 4.42Å; L702-Y710 HydrophobicContact CG-CG 4.28Å; C706-Y710 WeakPolarHBondContact O-CB 3.29Å; C706-Y710 PolarHBondContact O-N 3.42Å; D707-Y710 PolarHBondContact O-N 3.27Å; Y710-E713 PolarHBondContact O-N 2.94Å; Y710-Q714 HydrophobicContact CD1-CG 4.03Å; Y710-Q714 HydrophobicContact CD2-CG 4.32Å; Y710-Q714 HydrophobicContact CE1-CG 3.68Å; Y710-Q714 HydrophobicContact CE2-CG 4.01Å; Y710-Q714 VanDerWaalsContact CE2-NE2 3.31Å; Y710-Q714 HydrophobicContact CG-CG 4.34Å; Y710-Q714 WeakPolarHBondContact O-CB 3.4Å; Y710-Q714 VanDerWaalsContact O-CG 3.28Å; Y710-Q714 WeakPolarHBondContact O-CG 3.38Å; Y710-Q714 PolarHBondContact O-N 2.98Å; Y710-Q714 PolarHBondContact OH-NE2 3.33Å
711V63.3Low62.9Low63 Ų6365.6 Ų65.638%0.38233%0.334SS..Hα-helixtrans-61.7-46.7173.7172.80000111.3L17 D707 E713 Q714 S715L17-V711 HydrophobicContact CD1-CG1 4.45Å; D707-V711 WeakPolarHBondContact O-CG2 3.34Å; D707-V711 PolarHBondContact O-N 2.8Å; V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 2.93Å; V711-Q714 PolarHBondContact O-N 3.08Å; V711-S715 WeakPolarHBondContact O-CB 3.42Å; V711-S715 PolarHBondContact O-N 3.31Å; V711-S715 PolarHBondContact O-OG 2.7Å
712K64.9Low62.3Low117 Ų11763.9 Ų63.951%0.50934%0.338SS..Hα-helixtrans-59.5-40.7177.6-165.4177.3-174.7-178.60112.2E385 K708 C709 A716E385-K712 IonicContact OE1-NZ 3.74Å; E385-K712 PolarHBondContact OE1-NZ 3.49Å; K708-K712 PolarHBondContact O-N 2.98Å; C709-K712 PolarHBondContact O-N 2.58Å; K712-A716 WeakPolarHBondContact O-CB 3.34Å; K712-A716 PolarHBondContact O-N 2.85Å; K712-A716 VanDerWaalsContact O-N 3.1Å
713E77.5Confident61.1Low54 Ų5470.3 Ų70.325%0.25237%0.367SS..Hα-helixtrans-66-49.1176.2177.768.8-159.200112Y705 C709 Y710 V711 S715 A716 R717Y705-E713 HydrophobicContact CE1-CB 4.24Å; Y705-E713 HydrophobicContact CE1-CG 4.2Å; Y705-E713 HydrophobicContact CE2-CG 4.07Å; Y705-E713 PolarHBondContact OH-OE2 2.77Å; C709-E713 VanDerWaalsContact O-CB 3.27Å; C709-E713 WeakPolarHBondContact O-CB 3.31Å; C709-E713 PolarHBondContact O-N 3.37Å; Y710-E713 PolarHBondContact O-N 2.94Å; V711-E713 VanDerWaalsContact C-N 3.31Å; V711-E713 PolarHBondContact O-N 2.93Å; E713-S715 PolarHBondContact O-N 3.29Å; E713-A716 WeakPolarHBondContact O-CB 3.49Å; E713-A716 PolarHBondContact O-N 3.36Å; E713-R717 WeakPolarHBondContact O-CG 3.04Å; E713-R717 PolarHBondContact O-N 2.84Å; E713-R717 IonicContact OE1-CZ 2.65Å; E713-R717 VanDerWaalsContact OE1-CZ 3.23Å; E713-R717 IonicContact OE1-NE 3.52Å; E713-R717 PolarHBondContact OE1-NE 3.09Å; E713-R717 IonicContact OE1-NH2 2.74Å; E713-R717 PolarHBondContact OE1-NH2 3.4Å
714Q59.8Low59.3Low47 Ų4775.1 Ų75.122%0.2238%0.382CS..Hα-helixtrans-66.3-37.9179.6-67.4-62.9-20.300112.1E703 Y710 V711 A716 R717 L718E703-Q714 PolarHBondContact OE1-NE2 3.25Å; Y710-Q714 HydrophobicContact CD1-CG 4.03Å; Y710-Q714 HydrophobicContact CD2-CG 4.32Å; Y710-Q714 HydrophobicContact CE1-CG 3.68Å; Y710-Q714 HydrophobicContact CE2-CG 4.01Å; Y710-Q714 VanDerWaalsContact CE2-NE2 3.31Å; Y710-Q714 HydrophobicContact CG-CG 4.34Å; Y710-Q714 WeakPolarHBondContact O-CB 3.4Å; Y710-Q714 VanDerWaalsContact O-CG 3.28Å; Y710-Q714 WeakPolarHBondContact O-CG 3.38Å; Y710-Q714 PolarHBondContact O-N 2.98Å; Y710-Q714 PolarHBondContact OH-NE2 3.33Å; V711-Q714 PolarHBondContact O-N 3.08Å; Q714-A716 VanDerWaalsContact C-N 3.34Å; Q714-A716 PolarHBondContact O-N 3.17Å; Q714-R717 PolarHBondContact O-N 3.28Å; Q714-L718 WeakPolarHBondContact O-CB 3.11Å; Q714-L718 WeakPolarHBondContact O-CG 3.5Å; Q714-L718 PolarHBondContact O-N 2.94Å
715S52.6Low57.5Low46 Ų4679.3 Ų79.332%0.32241%0.406SS..Hα-helixtrans-62.4-39.6171.2-65.20000112.2V711 E713 L718 N719V711-S715 WeakPolarHBondContact O-CB 3.42Å; V711-S715 PolarHBondContact O-N 3.31Å; V711-S715 PolarHBondContact O-OG 2.7Å; E713-S715 PolarHBondContact O-N 3.29Å; S715-L718 PolarHBondContact O-N 2.68Å; S715-N719 PolarHBondContact O-N 2.69Å
716A62Low55.4Low41 Ų4184.5 Ų84.534%0.33944%0.443SS..Hα-helixtrans-64.9-42.117500000112.1K712 E713 Q714 N719 Q720K712-A716 WeakPolarHBondContact O-CB 3.34Å; K712-A716 PolarHBondContact O-N 2.85Å; K712-A716 VanDerWaalsContact O-N 3.1Å; E713-A716 WeakPolarHBondContact O-CB 3.49Å; E713-A716 PolarHBondContact O-N 3.36Å; Q714-A716 VanDerWaalsContact C-N 3.34Å; Q714-A716 PolarHBondContact O-N 3.17Å; A716-N719 PolarHBondContact O-N 3.42Å; A716-Q720 VanDerWaalsContact O-CG 3.3Å; A716-Q720 WeakPolarHBondContact O-CG 3.35Å; A716-Q720 PolarHBondContact O-N 3.38Å
717R66.3Low53Low77 Ų7791.6 Ų91.629%0.29147%0.474SS..Hα-helixtrans-63.3-44.6174.6-68174.4-171.5-1777.7112E703 E713 Q714 N719 Q720 V721E703-R717 VanDerWaalsContact CD-NH1 3.26Å; E703-R717 IonicContact OE1-CZ 2.63Å; E703-R717 IonicContact OE1-NH1 3.55Å; E703-R717 PolarHBondContact OE1-NH1 2.87Å; E703-R717 IonicContact OE1-NH2 2.93Å; E703-R717 IonicContact OE2-CZ 3.05Å; E703-R717 VanDerWaalsContact OE2-CZ 3.29Å; E703-R717 IonicContact OE2-NH1 2.68Å; E703-R717 PolarHBondContact OE2-NH1 3.41Å; E703-R717 IonicContact OE2-NH2 3.15Å; E703-R717 PolarHBondContact OE2-NH2 3.04Å; E713-R717 WeakPolarHBondContact O-CG 3.04Å; E713-R717 PolarHBondContact O-N 2.84Å; E713-R717 IonicContact OE1-CZ 2.65Å; E713-R717 VanDerWaalsContact OE1-CZ 3.23Å; E713-R717 IonicContact OE1-NE 3.52Å; E713-R717 PolarHBondContact OE1-NE 3.09Å; E713-R717 IonicContact OE1-NH2 2.74Å; E713-R717 PolarHBondContact OE1-NH2 3.4Å; Q714-R717 PolarHBondContact O-N 3.28Å; R717-N719 PolarHBondContact O-N 3.49Å; R717-Q720 PolarHBondContact O-N 2.89Å; R717-V721 WeakPolarHBondContact O-CG2 3.5Å; R717-V721 PolarHBondContact O-N 3.24Å
718L47.1Very low51.6Low69 Ų6993.6 Ų93.636%0.36149%0.494SS..Hα-helixtrans-58.9-44.4175.8-79.4164.1000111.8Q714 S715 V721 A722Q714-L718 WeakPolarHBondContact O-CB 3.11Å; Q714-L718 WeakPolarHBondContact O-CG 3.5Å; Q714-L718 PolarHBondContact O-N 2.94Å; S715-L718 PolarHBondContact O-N 2.68Å; L718-V721 PolarHBondContact O-N 3.47Å; L718-A722 WeakPolarHBondContact O-CB 3.19Å; L718-A722 PolarHBondContact O-N 2.86Å
719N46.7Very low49.9Very low99 Ų9990.5 Ų90.553%0.52949%0.492SS..Hα-helixtrans-66.8-37.5177.1-70.5-2.9000112.4S715 A716 R717 V721 A722 H723S715-N719 PolarHBondContact O-N 2.69Å; A716-N719 PolarHBondContact O-N 3.42Å; R717-N719 PolarHBondContact O-N 3.49Å; N719-V721 PolarHBondContact O-N 3.38Å; N719-A722 PolarHBondContact O-N 3.49Å; N719-H723 PolarHBondContact O-CD2 3.01Å; N719-H723 PolarHBondContact O-N 3.18Å; N719-H723 VanDerWaalsContact O-N 3.13Å
720Q47.9Very low47.9Very low127 Ų12794.6 Ų94.659%0.59352%0.518SS*.Hα-helixtrans-65-26173.5-72.6173.533.100113.4A716 R717A716-Q720 VanDerWaalsContact O-CG 3.3Å; A716-Q720 WeakPolarHBondContact O-CG 3.35Å; A716-Q720 PolarHBondContact O-N 3.38Å; R717-Q720 PolarHBondContact O-N 2.89Å
721V43.4Very low45.7Very low99 Ų99101.4 Ų101.460%0.656%0.556SS**Hα-helixtrans-82.9-39.5171.9173.70000111.2R717 L718 N719 H723 R724R717-V721 WeakPolarHBondContact O-CG2 3.5Å; R717-V721 PolarHBondContact O-N 3.24Å; L718-V721 PolarHBondContact O-N 3.47Å; N719-V721 PolarHBondContact O-N 3.38Å; V721-H723 VanDerWaalsContact C-N 3.28Å; V721-H723 PolarHBondContact O-N 2.73Å; V721-R724 PolarHBondContact O-N 3.23Å; V721-R724 VanDerWaalsContact O-N 3.08Å
722A39.5Very low44Very low76 Ų76104.6 Ų104.663%0.62858%0.575SS**Hα-helixtrans-62.5-31.5179.800000113.5L718 N719 R724L718-A722 WeakPolarHBondContact O-CB 3.19Å; L718-A722 PolarHBondContact O-N 2.86Å; N719-A722 PolarHBondContact O-N 3.49Å; A722-R724 VanDerWaalsContact C-N 3.31Å; A722-R724 PolarHBondContact O-N 3.43Å
723H39.2Very low42.2Very low142 Ų142107.8 Ų107.866%0.65759%0.594SS**THydrogen-bonded Turntrans-84.67.5175.4-69.1-59000114.9N719 V721N719-H723 PolarHBondContact O-CD2 3.01Å; N719-H723 PolarHBondContact O-N 3.18Å; N719-H723 VanDerWaalsContact O-N 3.13Å; V721-H723 VanDerWaalsContact C-N 3.28Å; V721-H723 PolarHBondContact O-N 2.73Å
724R36.4Very low39.8Very low179 Ų179117 Ų11768%0.67563%0.626SS**  trans-96.7114171.5-69.5-179.8-177.8-168.5-0.5111V721 A722V721-R724 PolarHBondContact O-N 3.23Å; V721-R724 VanDerWaalsContact O-N 3.08Å; A722-R724 VanDerWaalsContact C-N 3.31Å; A722-R724 PolarHBondContact O-N 3.43Å
725T34.5Very low38.1Very low96 Ų96122.2 Ų122.259%0.58966%0.655SS**  trans-60.7156.5153.243.20000109.9H727T725-H727 VanDerWaalsContact C-N 3.27Å; T725-H727 PolarHBondContact O-N 3.07Å
726P34.2Very low36.9Very low133 Ų133131.5 Ų131.586%0.86468%0.684SS**SBendtrans-73.978.2-175.230.5-36.1000112.1
727H26.9Very low35.1Very low160 Ų160134.4 Ų134.474%0.74171%0.708SS**  trans-115.5138.3165.5-66-52.6000109.9T725T725-H727 VanDerWaalsContact C-N 3.27Å; T725-H727 PolarHBondContact O-N 3.07Å
728S30.2Very low33.2Very low111 Ų111135.6 Ų135.678%0.77673%0.734SS**PPolyproline II helixtrans-56144.7179.9-48.80000111.9
729P31.2Very low32.2Very low108 Ų108141.9 Ų141.970%0.70176%0.758SS**PPolyproline II helixtrans-63.6133.9-179.726.3-34.1000111.2
730P27.9Very low31.3Very low111 Ų111143.1 Ų143.172%0.72177%0.772SS**PPolyproline II helixtrans-73.4141.8-177.929.1-34.9000112.2V732P730-V732 PolarHBondContact O-N 3.13Å; P730-V732 VanDerWaalsContact O-N 3.07Å
731L28.4Very low30.2Very low175 Ų175149.1 Ų149.192%0.91679%0.789SS**  trans-71.496.9169.6-68.7173000109.9M733L731-M733 PolarHBondContact O-N 3.44Å; L731-M733 VanDerWaalsContact O-N 3.17Å
732V27.4Very low29.4Very low130 Ų130150.2 Ų150.279%0.78880%0.801SS**  trans-72107.4174.2-179.80000109.4P730P730-V732 PolarHBondContact O-N 3.13Å; P730-V732 VanDerWaalsContact O-N 3.07Å
733M26.6Very low28.8Very low183 Ų183152 Ų15290%0.90181%0.809SS**  trans-61.2137.1167.4-80.9-159.6164.100110.4L731L731-M733 PolarHBondContact O-N 3.44Å; L731-M733 VanDerWaalsContact O-N 3.17Å
734R26.8Very low28.4Very low247 Ų247154.9 Ų154.993%0.93282%0.822SS**  trans-97.598.9-174.8-165.1178.2-162.5159.97.2110.2
735D25Very low28.2Very low157 Ų157155 Ų15584%0.8483%0.831SS**  trans-65.9156.5-178.6-120.1-44.3000113.6
736R28Very low28.1Very low242 Ų242155.8 Ų155.891%0.91384%0.84SS**  trans-89.5120.3-171.4-73.3172.6165.7166.4-5.6112.4
737A24.2Very low28.2Very low102 Ų102157.5 Ų157.584%0.84384%0.837SS**  trans-144.2148.6159.600000112.1
738A24.9Very low29Very low102 Ų102155.7 Ų155.784%0.84384%0.837SS**  trans-58.9151.2-16400000117.5
739K26.9Very low30.1Very low201 Ų201157.4 Ų157.487%0.87483%0.833SS**  trans-117.2149.8148.4-91.9-168.5173.5-174.50109.6
740P27.5Very low31.7Very low125 Ų125156.1 Ų156.181%0.81282%0.823SS**  trans-73.9162.1-177.330.8-36000113.3
741R24.6Very low33.8Very low253 Ų253157.4 Ų157.496%0.95582%0.819SS**  trans-72138177.6-70.8173167.4169.2-5.8112.3
742S26.8Very low36Very low121 Ų121149.6 Ų149.685%0.84678%0.779SS**  trans-144.8129.6145.458.20000108.4
743S28.3Very low38.2Very low114 Ų114152.7 Ų152.780%0.79778%0.777SS**  trans-96136.1-167.950.80000113.8
744Q30.5Very low40.3Very low202 Ų202149.5 Ų149.594%0.94475%0.754SS**  trans-155.8152.2141.2-110.9163.916.300109.7
745Q32.3Very low41.9Very low183 Ų183143.5 Ų143.586%0.85575%0.751SS**  trans-109136.8-170.8-66.6167.3-6000111.2
746S30.7Very low43.8Very low111 Ų111140.4 Ų140.478%0.77676%0.756SS**  trans-143.1118.9156.256.60000108.1
747Q37.4Very low45.8Very low170 Ų170130.2 Ų130.279%0.79472%0.721SS**  trans-88.7116.8-176.6-67.2178.8-7.300110.6
748T43.5Very low48.1Very low121 Ų121129.7 Ų129.774%0.74271%0.711SS**  trans-102111.8168.652.30000109.4
749Q54.1Low50.5Low148 Ų148128.1 Ų128.169%0.69269%0.688SS**  trans-80.3144.2175.1-65.6-178.84.200110.7V760Q749-V760 HydrophobicContact CB-CG1 3.87Å; Q749-V760 HydrophobicContact CG-CG1 4.42Å
750T64.7Low52.5Low80 Ų80122 Ų12249%0.49167%0.668SS.*EExtended strand (participates in β ladder)trans-125.9146.9-18045.60000111.7V760 S761T750-V760 WeakPolarHBondContact O-CG1 3.39Å; T750-S761 PolarHBondContact O-N 3.17Å
751Q70.5Confident54.3Low139 Ų139116.3 Ų116.365%0.6563%0.631SS**EExtended strand (participates in β ladder)trans-80.8150-172.8-158.6165.628.200112.1R753 S758Q751-R753 PolarHBondContact O-N 3.07Å; Q751-S758 PolarHBondContact NE2-O 3.01Å
752C75.9Confident56.1Low10 Ų10107.6 Ų107.67%0.06861%0.607CS.*  trans-60.1132.2178.7-178.50000111.8R754 C757 N759 C768C752-R754 PolarHBondContact O-N 3.03Å; C752-C757 HydrophobicContact CB-CB 4.47Å; C752-N759 WeakPolarHBondContact CB-O 3.38Å; C752-N759 PolarHBondContact N-O 3.19Å; C752-C768 HydrophobicContact CB-CB 4.1Å; C752-C768 PolarHBondContact SG-N 3.19Å; C752-C768 VanDerWaalsContact SG-N 3.42Å
753R72.2Confident57.5Low196 Ų196105.1 Ų105.174%0.7460%0.601SS**  trans-72.8-4.8-176.7-165.1173176.1-175.8-0.8114.5Q751 S755 D766Q751-R753 PolarHBondContact O-N 3.07Å; R753-S755 PolarHBondContact O-N 3.39Å; R753-D766 HydrophobicContact CB-CB 4.45Å; R753-D766 WeakPolarHBondContact CB-O 3.47Å; R753-D766 WeakPolarHBondContact CD-OD2 3.47Å; R753-D766 IonicContact CZ-OD2 3.65Å; R753-D766 PolarHBondContact N-O 3.21Å; R753-D766 IonicContact NE-OD2 3.83Å; R753-D766 IonicContact NH1-OD2 2.7Å; R753-D766 PolarHBondContact NH1-OD2 2.9Å
754R72.1Confident58.8Low115 Ų115106 Ų10643%0.43461%0.606SS.*SBendtrans-80.3119.2-177.8-165.8176.4-168.2148.41.6110.7C752 G756 C757 L767 C771C752-R754 PolarHBondContact O-N 3.03Å; R754-G756 PolarHBondContact O-N 2.83Å; R754-C757 HydrophobicContact CB-CB 4.12Å; R754-C757 WeakPolarHBondContact O-CB 3.26Å; R754-C757 PolarHBondContact O-N 3.31Å; R754-L767 HydrophobicContact CB-CD2 3.97Å; R754-C771 WeakPolarHBondContact CD-SG 3.34Å; R754-C771 PolarHBondContact NH1-O 3.46Å
755S60.3Low60.3Low122 Ų12299.7 Ų99.785%0.85358%0.581SS**THydrogen-bonded Turntrans-52.3126.3174.935.70000111.4R753R753-S755 PolarHBondContact O-N 3.39Å
756G64.9Low62Low92 Ų9295.6 Ų95.695%0.94857%0.565SS**THydrogen-bonded Turntrans84.35.2-17500000115.9R754R754-G756 PolarHBondContact O-N 2.83Å
757C70Confident63.8Low27 Ų2793.2 Ų93.218%0.18254%0.543CS..  trans-110.2119.5173.8-171.60000111.3C752 R754C752-C757 HydrophobicContact CB-CB 4.47Å; R754-C757 HydrophobicContact CB-CB 4.12Å; R754-C757 WeakPolarHBondContact O-CB 3.26Å; R754-C757 PolarHBondContact O-N 3.31Å
758S72.6Confident65.8Low91 Ų9185.2 Ų85.264%0.63651%0.506SS*.  trans-86.9-11.2179.342.90000114.4Q751Q751-S758 PolarHBondContact NE2-O 3.01Å
759N74.6Confident67Low69 Ų6983.3 Ų83.337%0.36950%0.496SS..PPolyproline II helixtrans-69.7151.3-172.6-71.6-13.4000112.9C752 C768 E770C752-N759 WeakPolarHBondContact CB-O 3.38Å; C752-N759 PolarHBondContact N-O 3.19Å; N759-C768 HydrophobicContact CB-CB 4.23Å; N759-E770 PolarHBondContact ND2-OE2 3.2Å
760V69.9Low67.6Low73 Ų7381.8 Ų81.844%0.44249%0.489SS..EExtended strand (participates in β ladder)trans-81.4145.7-177.1-177.40000110.6Q749 T750 C768Q749-V760 HydrophobicContact CB-CG1 3.87Å; Q749-V760 HydrophobicContact CG-CG1 4.42Å; T750-V760 WeakPolarHBondContact O-CG1 3.39Å; V760-C768 WeakPolarHBondContact O-CB 3.27Å
761S65.3Low67.9Low5 Ų578.5 Ų78.54%0.03547%0.469CS..EExtended strand (participates in β ladder)trans-97.8139.5174.7-1610000111.6T750 G763 T765 L767T750-S761 PolarHBondContact O-N 3.17Å; S761-G763 PolarHBondContact O-N 3.09Å; S761-T765 WeakPolarHBondContact CB-O 3.45Å; S761-T765 PolarHBondContact OG-O 3.44Å; S761-T765 PolarHBondContact OG-OG1 3.08Å; S761-L767 PolarHBondContact OG-O 3.49Å
762P60.4Low67.8Low71 Ų7176.4 Ų76.446%0.46146%0.459SS..PPolyproline II helixtrans-56.9134162.5-20.633.1000109.6C764 T765 P769P762-C764 PolarHBondContact O-N 3.35Å; P762-T765 PolarHBondContact O-N 3.23Å; P762-T765 PolarHBondContact O-OG1 3.4Å; P762-P769 HydrophobicContact CG-CG 4.39Å
763G58.1Low67Low69 Ų6980.5 Ų80.571%0.71148%0.483SS*.THydrogen-bonded Turntrans-65.617.2-166.300000118.1S761S761-G763 PolarHBondContact O-N 3.09Å
764C54.8Low66.3Low133 Ų13381.2 Ų81.290%0.89949%0.486SS*.THydrogen-bonded Turntrans-119.63.2172.9-62.20000113.1P762P762-C764 PolarHBondContact O-N 3.35Å
765T60.9Low65.4Low69 Ų6978.6 Ų78.642%0.42350%0.495SS..  trans-137.4147.4-177.646.80000112.6S761 P762 L767S761-T765 WeakPolarHBondContact CB-O 3.45Å; S761-T765 PolarHBondContact OG-O 3.44Å; S761-T765 PolarHBondContact OG-OG1 3.08Å; P762-T765 PolarHBondContact O-N 3.23Å; P762-T765 PolarHBondContact O-OG1 3.4Å; T765-L767 VanDerWaalsContact C-N 3.29Å; T765-L767 PolarHBondContact O-N 2.62Å; T765-L767 PolarHBondContact OG1-O 2.95Å
766D68.3Low64.8Low96 Ų9680 Ų8051%0.51349%0.488SS..SBendtrans-75.8-14177.2-8736.4000114R753R753-D766 HydrophobicContact CB-CB 4.45Å; R753-D766 WeakPolarHBondContact CB-O 3.47Å; R753-D766 WeakPolarHBondContact CD-OD2 3.47Å; R753-D766 IonicContact CZ-OD2 3.65Å; R753-D766 PolarHBondContact N-O 3.21Å; R753-D766 IonicContact NE-OD2 3.83Å; R753-D766 IonicContact NH1-OD2 2.7Å; R753-D766 PolarHBondContact NH1-OD2 2.9Å
767L69.6Low63.6Low61 Ų6178.6 Ų78.632%0.31947%0.473SS..SBendtrans-130.4140.2-172.8-64.6176.2000111.2R754 S761 T765 C771R754-L767 HydrophobicContact CB-CD2 3.97Å; S761-L767 PolarHBondContact OG-O 3.49Å; T765-L767 VanDerWaalsContact C-N 3.29Å; T765-L767 PolarHBondContact O-N 2.62Å; T765-L767 PolarHBondContact OG1-O 2.95Å; L767-C771 HydrophobicContact CB-CB 4.24Å; L767-C771 HydrophobicContact CD2-CB 4.39Å
768C78.2Confident62Low2 Ų289.4 Ų89.41%0.01451%0.51CS..  trans-67.1158.8172.471.60000111.9C752 N759 V760 E770 C771 H772C752-C768 HydrophobicContact CB-CB 4.1Å; C752-C768 PolarHBondContact SG-N 3.19Å; C752-C768 VanDerWaalsContact SG-N 3.42Å; N759-C768 HydrophobicContact CB-CB 4.23Å; V760-C768 WeakPolarHBondContact O-CB 3.27Å; C768-E770 VanDerWaalsContact C-N 3.28Å; C768-E770 PolarHBondContact O-N 2.92Å; C768-E770 VanDerWaalsContact O-N 3.16Å; C768-C771 PolarHBondContact O-N 3.22Å; C768-H772 PolarHBondContact O-N 2.88Å
769P69.9Low60.2Low82 Ų8294.2 Ų94.253%0.53252%0.523SS..Hα-helixtrans-55.4-37.3-173.8-28.436.5000114.6P762 H772 T773P762-P769 HydrophobicContact CG-CG 4.39Å; P769-H772 WeakPolarHBondContact O-CB 3.26Å; P769-H772 PolarHBondContact O-N 2.92Å; P769-T773 PolarHBondContact O-N 3.2Å; P769-T773 PolarHBondContact O-OG1 2.69Å
770E66.1Low58.2Low115 Ų11596 Ų9654%0.53755%0.547SS..Hα-helixtrans-69.5-35.7177.8-56.8174.3145.700113N759 C768 H772 T773 R774N759-E770 PolarHBondContact ND2-OE2 3.2Å; C768-E770 VanDerWaalsContact C-N 3.28Å; C768-E770 PolarHBondContact O-N 2.92Å; C768-E770 VanDerWaalsContact O-N 3.16Å; E770-H772 VanDerWaalsContact C-N 3.32Å; E770-T773 PolarHBondContact O-OG1 3Å; E770-R774 WeakPolarHBondContact O-CB 3.43Å; E770-R774 WeakPolarHBondContact O-CG 3.45Å; E770-R774 PolarHBondContact O-N 2.83Å; E770-R774 VanDerWaalsContact O-N 3.1Å
771C71.9Confident56.2Low11 Ų1196.3 Ų96.37%0.07457%0.565CS.*Hα-helixtrans-72.6-30.4175.1-78.30000111.7R754 L767 C768 G775R754-C771 WeakPolarHBondContact CD-SG 3.34Å; R754-C771 PolarHBondContact NH1-O 3.46Å; L767-C771 HydrophobicContact CB-CB 4.24Å; L767-C771 HydrophobicContact CD2-CB 4.39Å; C768-C771 PolarHBondContact O-N 3.22Å; C771-G775 PolarHBondContact O-N 2.71Å
772H68.6Low54.6Low96 Ų96107.8 Ų107.844%0.44461%0.607SS.*Hα-helixtrans-69.8-50.1175-168.8-86.6000111.4C768 P769 E770 R774 G775C768-H772 PolarHBondContact O-N 2.88Å; P769-H772 WeakPolarHBondContact O-CB 3.26Å; P769-H772 PolarHBondContact O-N 2.92Å; E770-H772 VanDerWaalsContact C-N 3.32Å; H772-R774 PolarHBondContact O-N 2.77Å; H772-G775 PolarHBondContact O-N 2.7Å
773T58.2Low53.1Low95 Ų95116.4 Ų116.458%0.58363%0.631SS**Hα-helixtrans-65.6-38.9178.152.30000112.6P769 E770 G775 Q776P769-T773 PolarHBondContact O-N 3.2Å; P769-T773 PolarHBondContact O-OG1 2.69Å; E770-T773 PolarHBondContact O-OG1 3Å; T773-G775 PolarHBondContact O-N 2.68Å; T773-G775 VanDerWaalsContact O-N 3.07Å; T773-Q776 PolarHBondContact O-N 2.88Å
774R57.2Low51.7Low211 Ų211118 Ų11880%0.79664%0.637SS**THydrogen-bonded Turntrans-63.2-8.4170.5-80.5-174.6168.7-169.4-1.1114.5E770 H772E770-R774 WeakPolarHBondContact O-CB 3.43Å; E770-R774 WeakPolarHBondContact O-CG 3.45Å; E770-R774 PolarHBondContact O-N 2.83Å; E770-R774 VanDerWaalsContact O-N 3.1Å; H772-R774 PolarHBondContact O-N 2.77Å
775G54.3Low50.5Low60 Ų60121.3 Ų121.362%0.61964%0.64SS**THydrogen-bonded Turntrans-86-16.2175.900000114.9C771 H772 T773C771-G775 PolarHBondContact O-N 2.71Å; H772-G775 PolarHBondContact O-N 2.7Å; T773-G775 PolarHBondContact O-N 2.68Å; T773-G775 VanDerWaalsContact O-N 3.07Å
776Q46.6Very low49Very low153 Ų153122.2 Ų122.272%0.71565%0.654SS**SBendtrans-106.26.9-164-66.5-174-23.600115.4T773T773-Q776 PolarHBondContact O-N 2.88Å
777G41.1Very low47.4Very low61 Ų61123.8 Ų123.863%0.62967%0.669SS**  trans-152.490.6-175.300000116
778R34.6Very low45.7Very low254 Ų254130.6 Ų130.696%0.95870%0.696SS**  trans-178.5118.2146.3-103.4164.6-169-138-0.1110.9
779E34.6Very low43.8Very low192 Ų192137.8 Ų137.890%0.89773%0.73SS**  trans-105.5169.3169.7-77.9-160.2111.800112.4
780A32.8Very low42.6Very low108 Ų108141.2 Ų141.289%0.89374%0.736SS**  trans63.5110.3163.600000118.7
781G28.7Very low42Very low78 Ų78141 Ų14180%0.80475%0.747SS**  trans-159.49.5-179.700000119.4
782R32.8Very low41.6Very low247 Ų247145.9 Ų145.993%0.93277%0.767SS**  trans55.2101.8172.5-61.4-176.8176.1-165.4-1.1119.2
783R28.3Very low41.8Very low252 Ų252148.3 Ų148.395%0.95178%0.779SS**  -166.8146.3123.4-110173.1-179.4179.20.6111.4
784A29.2Very low42.7Very low103 Ų103150.9 Ų150.985%0.85178%0.778SS**  trans31.3117.317000000119.6
785Q29.4Very low44Very low202 Ų202141.3 Ų141.394%0.94474%0.743SS**PPolyproline II helixtrans-75.3124169.6-71.1174.7-22.200111.5
786A29.2Very low45.2Very low88 Ų88146.6 Ų146.673%0.72774%0.744SS**PPolyproline II helixtrans-82.7154.9158.700000110.2
787P33.6Very low46.8Very low128 Ų128141.8 Ų141.883%0.83173%0.726SS**PPolyproline II helixtrans-64.9142-173.7-21.934000113.3E789P787-E789 PolarHBondContact O-N 3.48Å; P787-E789 VanDerWaalsContact O-N 3.12Å
788K35.5Very low48.4Very low205 Ų205148.2 Ų148.289%0.89174%0.739SS**  trans-60.2115.2167.5-71.6-176.7177.4-179.40109.1K790K788-K790 PolarHBondContact O-N 2.96Å
789E38Very low50Low152 Ų152140.1 Ų140.171%0.7174%0.735SS**  trans-64.8109.1177.3-168.2171.8-140.300109.5P787 K792P787-E789 PolarHBondContact O-N 3.48Å; P787-E789 VanDerWaalsContact O-N 3.12Å; E789-K792 WeakPolarHBondContact OE1-CE 3.42Å; E789-K792 IonicContact OE1-NZ 3.04Å; E789-K792 PolarHBondContact OE1-NZ 3.28Å; E789-K792 IonicContact OE2-NZ 2.7Å
790K44.4Very low51.7Low155 Ų155131.8 Ų131.867%0.67470%0.698SS**  trans-63.5144.8177.5-63.6178.6-176.4172.60109.3K788 K792K788-K790 PolarHBondContact O-N 2.96Å; K790-K792 PolarHBondContact O-N 3.04Å
791S53.5Low53.7Low109 Ų109131.9 Ų131.976%0.76268%0.683SS**  trans-52.7115.3174.8400000110.7Q793S791-Q793 PolarHBondContact O-N 3.24Å
792K63.8Low56Low115 Ų115133.1 Ų133.150%0.567%0.667SS.*  trans-66.4108.1-175.6-68.7171.5179.3154.70109.2E789 K790 Y803E789-K792 WeakPolarHBondContact OE1-CE 3.42Å; E789-K792 IonicContact OE1-NZ 3.04Å; E789-K792 PolarHBondContact OE1-NZ 3.28Å; E789-K792 IonicContact OE2-NZ 2.7Å; K790-K792 PolarHBondContact O-N 3.04Å; K792-Y803 HydrophobicContact CB-CD1 3.41Å; K792-Y803 VanDerWaalsContact CB-CD1 3.41Å; K792-Y803 HydrophobicContact CB-CE1 3.82Å; K792-Y803 HydrophobicContact CB-CG 3.85Å; K792-Y803 HydrophobicContact CD-CD2 4.39Å; K792-Y803 HydrophobicContact CD-CG 4.38Å; K792-Y803 WeakPolarHBondContact O-CD1 3.32Å
793Q71.6Confident58.2Low146 Ų146128.4 Ų128.468%0.68265%0.651SS**PPolyproline II helixtrans-65.9146.8176-65.9-169.2-10.400110.1S791 Y803 A804S791-Q793 PolarHBondContact O-N 3.24Å; Q793-Y803 WeakPolarHBondContact O-CA 3.38Å; Q793-A804 PolarHBondContact O-N 3.43Å
794R78.9Confident60.6Low149 Ų149117.4 Ų117.456%0.56261%0.614SS**BIsolated β-bridgetrans-73.3155173.4-80.4171155.5-100.3-4110.9D801R794-D801 IonicContact CZ-OD1 3.72Å; R794-D801 IonicContact NH1-OD1 2.63Å; R794-D801 PolarHBondContact NH1-OD1 2.87Å; R794-D801 IonicContact NH2-OD1 2.68Å; R794-D801 PolarHBondContact NH2-OD1 3.44Å
795C83.3Confident62.8Low11 Ų11114.5 Ų114.57%0.07458%0.584CS.*PPolyproline II helixtrans-55.7140.5171.9-172.10000111.3T797 C800 H802 C812C795-T797 PolarHBondContact O-N 3.05Å; C795-C800 HydrophobicContact CB-CB 3.95Å; C795-C800 VanDerWaalsContact CB-SG 3.59Å; C795-H802 VanDerWaalsContact CB-O 3.26Å; C795-H802 WeakPolarHBondContact CB-O 3.47Å; C795-H802 PolarHBondContact N-O 3.04Å; C795-C812 HydrophobicContact CB-CB 4.2Å; C795-C812 PolarHBondContact SG-N 3.06Å
796R80.3Confident64.8Low170 Ų170111.7 Ų111.764%0.64257%0.571SS**SBendtrans-68.9-6.5177.2-79.4173.4165.8-178.6-13.9115.4Q809 G810 Y811R796-Q809 WeakPolarHBondContact CD-O 3.27Å; R796-Q809 PolarHBondContact NH1-O 2.63Å; R796-G810 WeakPolarHBondContact CG-O 3.42Å; R796-G810 PolarHBondContact N-O 3.04Å; R796-Y811 HydrophobicContact CB-CD1 4.15Å; R796-Y811 HydrophobicContact CB-CE1 3.78Å; R796-Y811 HydrophobicContact CB-CE2 4.18Å
797T80.2Confident66.9Low53 Ų53115.5 Ų115.533%0.32557%0.574SS.*SBendtrans-82124.6178.7-57.60000109.5C795 G799 C800 Y811 C815C795-T797 PolarHBondContact O-N 3.05Å; T797-G799 PolarHBondContact O-N 2.7Å; T797-C800 HydrophobicContact CG2-CB 4.35Å; T797-C800 WeakPolarHBondContact O-CB 3.48Å; T797-C800 PolarHBondContact O-N 3.12Å; T797-C800 VanDerWaalsContact O-N 3.08Å; T797-Y811 WeakPolarHBondContact OG1-CD1 3.48Å; T797-C815 WeakPolarHBondContact OG1-CB 3.49Å; T797-C815 PolarHBondContact OG1-SG 2.95Å
798Q73.3Confident68.9Low196 Ų196112 Ų11292%0.91655%0.545SS*.THydrogen-bonded Turntrans-58.3133.6175-68.2-174.6-7.300110.4C800Q798-C800 VanDerWaalsContact C-N 3.33Å
799G69.3Low70.9Confident83 Ų83108.5 Ų108.586%0.85653%0.532SS*.THydrogen-bonded Turntrans80.30.9-175.700000115.8T797T797-G799 PolarHBondContact O-N 2.7Å
800C70.2Confident72.9Confident18 Ų18101.8 Ų101.812%0.12250%0.504CS..  trans-94.8115.6176.4-174.60000112C795 T797 Q798 C815C795-C800 HydrophobicContact CB-CB 3.95Å; C795-C800 VanDerWaalsContact CB-SG 3.59Å; T797-C800 HydrophobicContact CG2-CB 4.35Å; T797-C800 WeakPolarHBondContact O-CB 3.48Å; T797-C800 PolarHBondContact O-N 3.12Å; T797-C800 VanDerWaalsContact O-N 3.08Å; Q798-C800 VanDerWaalsContact C-N 3.33Å; C800-C815 VanDerWaalsContact SG-SG 3.6Å
801D74.8Confident74.6Confident109 Ų10997.1 Ų97.158%0.58348%0.482SS*.  trans-81.8-10.4177-79-55.4000114.5R794R794-D801 IonicContact CZ-OD1 3.72Å; R794-D801 IonicContact NH1-OD1 2.63Å; R794-D801 PolarHBondContact NH1-OD1 2.87Å; R794-D801 IonicContact NH2-OD1 2.68Å; R794-D801 PolarHBondContact NH2-OD1 3.44Å
802H76Confident76.1Confident104 Ų10492.2 Ų92.248%0.48145%0.448SS..SBendtrans-69.6149.2-178.5-62.9-100.7000112C795 C812C795-H802 VanDerWaalsContact CB-O 3.26Å; C795-H802 WeakPolarHBondContact CB-O 3.47Å; C795-H802 PolarHBondContact N-O 3.04Å; H802-C812 HydrophobicContact CB-CB 3.68Å
803Y79.9Confident76.9Confident149 Ų14991.4 Ų91.458%0.58445%0.449SS*.BIsolated β-bridgetrans-69.8144.3173.5-62.2-67.3000111.7K792 Q793 C812K792-Y803 HydrophobicContact CB-CD1 3.41Å; K792-Y803 VanDerWaalsContact CB-CD1 3.41Å; K792-Y803 HydrophobicContact CB-CE1 3.82Å; K792-Y803 HydrophobicContact CB-CG 3.85Å; K792-Y803 HydrophobicContact CD-CD2 4.39Å; K792-Y803 HydrophobicContact CD-CG 4.38Å; K792-Y803 WeakPolarHBondContact O-CD1 3.32Å; Q793-Y803 WeakPolarHBondContact O-CA 3.38Å; Y803-C812 VanDerWaalsContact O-CB 3.27Å; Y803-C812 WeakPolarHBondContact O-CB 2.97Å
804A78.8Confident77Confident21 Ų2190.8 Ų90.817%0.17445%0.446CS..PPolyproline II helixtrans-70135.5173.400000111.3Q793 G810Q793-A804 PolarHBondContact O-N 3.43Å; A804-G810 VanDerWaalsContact CB-C 3.46Å; A804-G810 WeakPolarHBondContact CB-O 3.37Å
805N75.2Confident76.9Confident42 Ų4284.8 Ų84.823%0.22543%0.427CS..BIsolated β-bridgetrans-78.2131.5159.8-178.1-7.1000108E807 K808 Y811N805-E807 VanDerWaalsContact C-N 3.26Å; N805-E807 PolarHBondContact ND2-OE2 2.73Å; N805-E807 PolarHBondContact O-N 3.43Å; N805-E807 WeakPolarHBondContact OD1-CB 3.5Å; N805-E807 PolarHBondContact OD1-N 3.45Å; N805-E807 PolarHBondContact OD1-OE2 2.98Å; N805-K808 HydrophobicContact CB-CB 4.17Å; N805-K808 HydrophobicContact CB-CD 4.24Å; N805-K808 HydrophobicContact CB-CG 4.35Å; N805-K808 PolarHBondContact O-N 2.59Å; N805-Y811 PolarHBondContact N-O 3.29Å
806Q70.3Confident76.8Confident143 Ų14384.7 Ų84.767%0.66843%0.426SS*.THydrogen-bonded Turntrans-65.5-31178.7-68.6-179.217.600111.8K808Q806-K808 VanDerWaalsContact C-N 3.33Å
807E74.8Confident76.5Confident168 Ų16882 Ų8279%0.78542%0.42SS*.THydrogen-bonded Turntrans-68.5-32.5176.2-58.7165.9156.800111.8N805 Q809N805-E807 VanDerWaalsContact C-N 3.26Å; N805-E807 PolarHBondContact ND2-OE2 2.73Å; N805-E807 PolarHBondContact O-N 3.43Å; N805-E807 WeakPolarHBondContact OD1-CB 3.5Å; N805-E807 PolarHBondContact OD1-N 3.45Å; N805-E807 PolarHBondContact OD1-OE2 2.98Å; E807-Q809 VanDerWaalsContact C-N 3.3Å; E807-Q809 PolarHBondContact O-N 3.2Å
808K74.8Confident76.1Confident54 Ų5485.5 Ų85.524%0.23543%0.431CS..THydrogen-bonded Turntrans-93.639.3-177.1-67.9174.3163.2-840112.8N805 Q806 G810 Y811 N813 D816N805-K808 HydrophobicContact CB-CB 4.17Å; N805-K808 HydrophobicContact CB-CD 4.24Å; N805-K808 HydrophobicContact CB-CG 4.35Å; N805-K808 PolarHBondContact O-N 2.59Å; Q806-K808 VanDerWaalsContact C-N 3.33Å; K808-G810 PolarHBondContact O-N 3.18Å; K808-Y811 WeakPolarHBondContact O-CB 3.44Å; K808-Y811 WeakPolarHBondContact O-CD2 3.44Å; K808-Y811 PolarHBondContact O-N 3.41Å; K808-N813 VanDerWaalsContact CD-OD1 3.32Å; K808-N813 WeakPolarHBondContact CD-OD1 3.48Å; K808-D816 HydrophobicContact CB-CB 4.03Å; K808-D816 HydrophobicContact CD-CB 3.88Å; K808-D816 WeakPolarHBondContact CD-OD2 3.47Å; K808-D816 HydrophobicContact CG-CB 4.22Å; K808-D816 WeakPolarHBondContact CG-OD2 3.35Å; K808-D816 IonicContact NZ-OD2 3.57Å; K808-D816 PolarHBondContact NZ-OD2 3.48Å
809Q77.8Confident76.2Confident131 Ų13178.4 Ų78.461%0.61240%0.397SS*.THydrogen-bonded Turntrans52.230.1172.1-57178.8-19.700115.2R796 E807 K819R796-Q809 WeakPolarHBondContact CD-O 3.27Å; R796-Q809 PolarHBondContact NH1-O 2.63Å; E807-Q809 VanDerWaalsContact C-N 3.3Å; E807-Q809 PolarHBondContact O-N 3.2Å; Q809-K819 VanDerWaalsContact OE1-NZ 3.16Å
810G79.2Confident76.4Confident11 Ų1179.9 Ų79.911%0.11338%0.382CS..THydrogen-bonded Turntrans89.713-177.900000115.4R796 A804 K808R796-G810 WeakPolarHBondContact CG-O 3.42Å; R796-G810 PolarHBondContact N-O 3.04Å; A804-G810 VanDerWaalsContact CB-C 3.46Å; A804-G810 WeakPolarHBondContact CB-O 3.37Å; K808-G810 PolarHBondContact O-N 3.18Å
811Y80.2Confident76.2Confident58 Ų5883.6 Ų83.623%0.22740%0.399CS..BIsolated β-bridgetrans-106.4152.7173.4-65.5-92.4000110.9R796 T797 N805 K808 C815 K819R796-Y811 HydrophobicContact CB-CD1 4.15Å; R796-Y811 HydrophobicContact CB-CE1 3.78Å; R796-Y811 HydrophobicContact CB-CE2 4.18Å; T797-Y811 WeakPolarHBondContact OG1-CD1 3.48Å; N805-Y811 PolarHBondContact N-O 3.29Å; K808-Y811 WeakPolarHBondContact O-CB 3.44Å; K808-Y811 WeakPolarHBondContact O-CD2 3.44Å; K808-Y811 PolarHBondContact O-N 3.41Å; Y811-C815 HydrophobicContact CD1-CB 4.24Å; Y811-K819 HydrophobicContact CD2-CD 4.34Å; Y811-K819 HydrophobicContact CE1-CD 4.49Å; Y811-K819 HydrophobicContact CE2-CD 4.17Å
812C85.5Confident75.2Confident6 Ų686 Ų864%0.04140%0.401CS..  trans-72.9165.7166.873.80000110.2C795 H802 Y803 E814 C815 D816C795-C812 HydrophobicContact CB-CB 4.2Å; C795-C812 PolarHBondContact SG-N 3.06Å; H802-C812 HydrophobicContact CB-CB 3.68Å; Y803-C812 VanDerWaalsContact O-CB 3.27Å; Y803-C812 WeakPolarHBondContact O-CB 2.97Å; C812-E814 VanDerWaalsContact C-N 3.26Å; C812-E814 PolarHBondContact O-N 3.23Å; C812-C815 PolarHBondContact O-N 3.42Å; C812-C815 PolarHBondContact SG-N 3.19Å; C812-C815 VanDerWaalsContact SG-N 3.38Å; C812-D816 WeakPolarHBondContact O-CB 3.17Å; C812-D816 PolarHBondContact O-N 3.28Å
813N80Confident73.9Confident98 Ų9891 Ų9152%0.52442%0.416SS..Hα-helixtrans-55.3-40.4-176.7-68.6-12.6000112.9K808 H817K808-N813 VanDerWaalsContact CD-OD1 3.32Å; K808-N813 WeakPolarHBondContact CD-OD1 3.48Å; N813-H817 WeakPolarHBondContact O-CB 3.19Å; N813-H817 PolarHBondContact O-N 3.18Å; N813-H817 VanDerWaalsContact O-N 3.13Å
814E74.3Confident72Confident132 Ų13290.4 Ų90.462%0.61746%0.455SS*.Hα-helixtrans-74.2-47-178.1-6317616800112.6C812 D816 H817 F818C812-E814 VanDerWaalsContact C-N 3.26Å; C812-E814 PolarHBondContact O-N 3.23Å; E814-D816 VanDerWaalsContact C-N 3.31Å; E814-D816 PolarHBondContact O-N 2.72Å; E814-H817 PolarHBondContact O-N 2.94Å; E814-F818 WeakPolarHBondContact O-CB 3.43Å; E814-F818 PolarHBondContact O-N 3.01Å
815C77.4Confident71.7Confident23 Ų2393.9 Ų93.916%0.15547%0.469CS..Hα-helixtrans-66.6-32.2178.1-70.90000112.9T797 C800 Y811 C812 K819T797-C815 WeakPolarHBondContact OG1-CB 3.49Å; T797-C815 PolarHBondContact OG1-SG 2.95Å; C800-C815 VanDerWaalsContact SG-SG 3.6Å; Y811-C815 HydrophobicContact CD1-CB 4.24Å; C812-C815 PolarHBondContact O-N 3.42Å; C812-C815 PolarHBondContact SG-N 3.19Å; C812-C815 VanDerWaalsContact SG-N 3.38Å; C815-K819 WeakPolarHBondContact O-CB 3.33Å; C815-K819 PolarHBondContact O-N 3.48Å
816D80.8Confident71.5Confident10 Ų1096.6 Ų96.65%0.05348%0.482CS..Hα-helixtrans-70.3-39.4172.9-172.456.8000111.7K808 C812 E814 K819 Q820K808-D816 HydrophobicContact CB-CB 4.03Å; K808-D816 HydrophobicContact CD-CB 3.88Å; K808-D816 WeakPolarHBondContact CD-OD2 3.47Å; K808-D816 HydrophobicContact CG-CB 4.22Å; K808-D816 WeakPolarHBondContact CG-OD2 3.35Å; K808-D816 IonicContact NZ-OD2 3.57Å; K808-D816 PolarHBondContact NZ-OD2 3.48Å; C812-D816 WeakPolarHBondContact O-CB 3.17Å; C812-D816 PolarHBondContact O-N 3.28Å; E814-D816 VanDerWaalsContact C-N 3.31Å; E814-D816 PolarHBondContact O-N 2.72Å; D816-K819 WeakPolarHBondContact O-CB 3.03Å; D816-K819 PolarHBondContact O-N 3.31Å; D816-K819 IonicContact OD1-NZ 2.78Å; D816-K819 PolarHBondContact OD1-NZ 3.24Å; D816-Q820 VanDerWaalsContact O-CG 3.27Å; D816-Q820 WeakPolarHBondContact O-CG 3.41Å; D816-Q820 PolarHBondContact O-N 3.22Å; D816-Q820 PolarHBondContact OD2-NE2 3.16Å
817H73.1Confident71.6Confident113 Ų11394 Ų9452%0.52347%0.471SS..Hα-helixtrans-63-43.5173.4-174.4-114.2000111.7N813 E814 Q820 I821N813-H817 WeakPolarHBondContact O-CB 3.19Å; N813-H817 PolarHBondContact O-N 3.18Å; N813-H817 VanDerWaalsContact O-N 3.13Å; E814-H817 PolarHBondContact O-N 2.94Å; H817-Q820 PolarHBondContact O-N 2.98Å; H817-Q820 VanDerWaalsContact O-N 3.16Å; H817-I821 WeakPolarHBondContact O-CG1 3.44Å; H817-I821 PolarHBondContact O-N 3.34Å
818F73.2Confident71.4Confident126 Ų12689.6 Ų89.655%0.55345%0.453SS*.Hα-helixtrans-61.6-44.9173.7-163.2-83.1000111.7E814 Q820 I821 Y822E814-F818 WeakPolarHBondContact O-CB 3.43Å; E814-F818 PolarHBondContact O-N 3.01Å; F818-Q820 PolarHBondContact O-N 3Å; F818-I821 PolarHBondContact O-N 3.1Å; F818-Y822 AromaticContact CD1-CD2 3.63Å; F818-Y822 HydrophobicContact CD1-CD2 3.63Å; F818-Y822 HydrophobicContact CD1-CE2 4.1Å; F818-Y822 HydrophobicContact CD2-CD2 4.25Å; F818-Y822 AromaticContact CD2-CE2 3.95Å; F818-Y822 HydrophobicContact CD2-CE2 3.95Å; F818-Y822 AromaticContact CE1-CD2 3.42Å; F818-Y822 HydrophobicContact CE1-CD2 3.42Å; F818-Y822 VanDerWaalsContact CE1-CD2 3.42Å; F818-Y822 HydrophobicContact CE1-CE2 3.68Å; F818-Y822 PolarHBondContact O-N 3.5Å; F818-Y822 WeakPolarHBondContact O-CD2 3.33Å; F818-Y822 HydrophobicContact CZ-CE2 3.37Å; F818-Y822 AromaticContact CZ-CE2 3.37Å; F818-Y822 HydrophobicContact CZ-CD2 3.67Å; F818-Y822 AromaticContact CZ-CD2 3.67Å; F818-Y822 HydrophobicContact CG-CE2 4.22Å; F818-Y822 HydrophobicContact CG-CD2 4.05Å; F818-Y822 HydrophobicContact CE2-CE2 3.52Å; F818-Y822 AromaticContact CE2-CE2 3.52Å; F818-Y822 HydrophobicContact CE2-CD2 4.09Å; F818-Y822 HydrophobicContact CE1-CG 4.26Å; F818-Y822 AromaticContact CE1-CE2 3.68Å
819K75.5Confident71.2Confident48 Ų4891.9 Ų91.921%0.20947%0.467CS..Hα-helixtrans-60.2-29.6174.1170.1-169160.6-146.70112.9Q809 Y811 C815 D816 R823Q809-K819 VanDerWaalsContact OE1-NZ 3.16Å; Y811-K819 HydrophobicContact CD2-CD 4.34Å; Y811-K819 HydrophobicContact CE1-CD 4.49Å; Y811-K819 HydrophobicContact CE2-CD 4.17Å; C815-K819 WeakPolarHBondContact O-CB 3.33Å; C815-K819 PolarHBondContact O-N 3.48Å; D816-K819 WeakPolarHBondContact O-CB 3.03Å; D816-K819 PolarHBondContact O-N 3.31Å; D816-K819 IonicContact OD1-NZ 2.78Å; D816-K819 PolarHBondContact OD1-NZ 3.24Å; K819-R823 VanDerWaalsContact O-CB 3.3Å; K819-R823 WeakPolarHBondContact O-CB 3.37Å; K819-R823 WeakPolarHBondContact O-CG 3.46Å
820Q73.4Confident70.7Confident114 Ų11489.3 Ų89.353%0.53346%0.457SS..Hα-helixtrans-77.4-44.5175.1-72.2170.119.600111.6D816 H817 F818 Y822 R823D816-Q820 VanDerWaalsContact O-CG 3.27Å; D816-Q820 WeakPolarHBondContact O-CG 3.41Å; D816-Q820 PolarHBondContact O-N 3.22Å; D816-Q820 PolarHBondContact OD2-NE2 3.16Å; H817-Q820 PolarHBondContact O-N 2.98Å; H817-Q820 VanDerWaalsContact O-N 3.16Å; F818-Q820 PolarHBondContact O-N 3Å; Q820-Y822 VanDerWaalsContact C-N 3.34Å; Q820-Y822 PolarHBondContact O-N 3.07Å; Q820-R823 PolarHBondContact O-N 3.01Å
821I65.6Low70.1Confident95 Ų9594.9 Ų94.949%0.48748%0.481SS..Hα-helixtrans-59.4-43.1177-68.8165.4000111.6H817 F818H817-I821 WeakPolarHBondContact O-CG1 3.44Å; H817-I821 PolarHBondContact O-N 3.34Å; F818-I821 PolarHBondContact O-N 3.1Å
822Y53.3Low69.4Low160 Ų16097.7 Ų97.763%0.62750%0.501SS*.THydrogen-bonded Turntrans-98.828.6-176.9-63.2-81.7000113.6F818 Q820F818-Y822 AromaticContact CD1-CD2 3.63Å; F818-Y822 HydrophobicContact CD1-CD2 3.63Å; F818-Y822 HydrophobicContact CD1-CE2 4.1Å; F818-Y822 HydrophobicContact CD2-CD2 4.25Å; F818-Y822 AromaticContact CD2-CE2 3.95Å; F818-Y822 HydrophobicContact CD2-CE2 3.95Å; F818-Y822 AromaticContact CE1-CD2 3.42Å; F818-Y822 HydrophobicContact CE1-CD2 3.42Å; F818-Y822 VanDerWaalsContact CE1-CD2 3.42Å; F818-Y822 HydrophobicContact CE1-CE2 3.68Å; F818-Y822 PolarHBondContact O-N 3.5Å; F818-Y822 WeakPolarHBondContact O-CD2 3.33Å; F818-Y822 HydrophobicContact CZ-CE2 3.37Å; F818-Y822 AromaticContact CZ-CE2 3.37Å; F818-Y822 HydrophobicContact CZ-CD2 3.67Å; F818-Y822 AromaticContact CZ-CD2 3.67Å; F818-Y822 HydrophobicContact CG-CE2 4.22Å; F818-Y822 HydrophobicContact CG-CD2 4.05Å; F818-Y822 HydrophobicContact CE2-CE2 3.52Å; F818-Y822 AromaticContact CE2-CE2 3.52Å; F818-Y822 HydrophobicContact CE2-CD2 4.09Å; F818-Y822 HydrophobicContact CE1-CG 4.26Å; F818-Y822 AromaticContact CE1-CE2 3.68Å; Q820-Y822 VanDerWaalsContact C-N 3.34Å; Q820-Y822 PolarHBondContact O-N 3.07Å
823R48.7Very low68Low209 Ų209105.3 Ų105.379%0.78954%0.539SS*.THydrogen-bonded Turntrans-133.218.7166.1-76.9-170.7163.4-144.5-3.9113.3K819 Q820K819-R823 VanDerWaalsContact O-CB 3.3Å; K819-R823 WeakPolarHBondContact O-CB 3.37Å; K819-R823 WeakPolarHBondContact O-CG 3.46Å; Q820-R823 PolarHBondContact O-N 3.01Å
824G41.1Very low66.9Low136 Ų136106 Ų106100%1.40254%0.541SS*.  trans-81.90157.200000110.2

Retrieved 824 of 824 residues in 131 ms (Link to these results)

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