A0A3Q0KIJ4_SCHMA Loading...

Translation initiation factor eIF2B subunit alpha

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A3Q0KIJ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 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
1M57.8Low74Confident157 Ų15788.5 Ų88.577%0.77344%0.441SS*.  0-51.60-70.9-163.3-113.300113.3S3 Q4 I5 V50M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.46Å; M1-Q4 PolarHBondContact O-N 3.11Å; M1-Q4 VanDerWaalsContact O-N 3.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.17Å; M1-V50 HydrophobicContact SD-CG2 3.66Å
2T62.1Low74.8Confident111 Ų11181.8 Ų81.868%0.68141%0.408SS*.Hα-helixtrans-56.8-38.2-174-15.50000114.8I5 L6T2-I5 PolarHBondContact O-N 3.03Å; T2-L6 PolarHBondContact O-N 3.38Å; T2-L6 VanDerWaalsContact O-N 3.09Å
3S71Confident75.5Confident99 Ų9981.9 Ų81.969%0.69240%0.404SS*.Hα-helixtrans-68.2-38178.1-169.80000113.5M1 I5 L6 D7M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.46Å; S3-I5 VanDerWaalsContact C-N 3.35Å; S3-L6 PolarHBondContact O-N 2.74Å; S3-D7 PolarHBondContact O-N 3.36Å; S3-D7 VanDerWaalsContact O-N 3.12Å
4Q71.6Confident76.4Confident97 Ų9780.2 Ų80.245%0.45340%0.4SS..Hα-helixtrans-67.2-39.2178.2-74.9170.2-24.700110.6M1 D7 L8M1-Q4 PolarHBondContact O-N 3.11Å; M1-Q4 VanDerWaalsContact O-N 3.12Å; Q4-D7 PolarHBondContact O-N 3.21Å; Q4-L8 WeakPolarHBondContact O-CB 3.19Å; Q4-L8 PolarHBondContact O-N 3.36Å
5I71.4Confident77Confident27 Ų2777 Ų7714%0.13839%0.385CS..Hα-helixtrans-68.2-39.5178.3-59172.9000111.2M1 T2 S3 L8 V9 A53 R57M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.17Å; T2-I5 PolarHBondContact O-N 3.03Å; S3-I5 VanDerWaalsContact C-N 3.35Å; I5-L8 WeakPolarHBondContact O-CB 3.36Å; I5-L8 PolarHBondContact O-N 2.82Å; I5-V9 PolarHBondContact O-N 3.04Å; I5-V9 VanDerWaalsContact O-N 3.14Å; I5-A53 HydrophobicContact CD1-CB 4.12Å; I5-R57 HydrophobicContact CG2-CB 3.91Å; I5-R57 HydrophobicContact CG2-CG 4.1Å
6L73.6Confident77.4Confident74 Ų7473.9 Ų73.939%0.38737%0.373SS..Hα-helixtrans-63.5-41.8175.2-93.3153.1000112.5T2 S3 L8 V9 R10T2-L6 PolarHBondContact O-N 3.38Å; T2-L6 VanDerWaalsContact O-N 3.09Å; S3-L6 PolarHBondContact O-N 2.74Å; L6-L8 VanDerWaalsContact C-N 3.3Å; L6-V9 PolarHBondContact O-N 3.4Å; L6-R10 WeakPolarHBondContact O-CG 3.45Å; L6-R10 PolarHBondContact O-N 3.14Å
7D80.7Confident77.8Confident105 Ų10578.6 Ų78.656%0.56139%0.393SS*.Hα-helixtrans-66.8-36.3176.5-163.630.6000111.6S3 Q4 V9 R10 R11S3-D7 PolarHBondContact O-N 3.36Å; S3-D7 VanDerWaalsContact O-N 3.12Å; Q4-D7 PolarHBondContact O-N 3.21Å; D7-V9 PolarHBondContact O-N 2.74Å; D7-R10 PolarHBondContact O-N 3.04Å; D7-R11 WeakPolarHBondContact O-CB 3.46Å; D7-R11 PolarHBondContact O-N 3.14Å
8L78.9Confident78.4Confident14 Ų1484.5 Ų84.57%0.07341%0.41CS..Hα-helixtrans-59.4-46.2175.1-175.9150.8000112.6Q4 I5 L6 R11 F12 V31 L35 A54 M58Q4-L8 WeakPolarHBondContact O-CB 3.19Å; Q4-L8 PolarHBondContact O-N 3.36Å; I5-L8 WeakPolarHBondContact O-CB 3.36Å; I5-L8 PolarHBondContact O-N 2.82Å; L6-L8 VanDerWaalsContact C-N 3.3Å; L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.32Å; L8-F12 PolarHBondContact O-N 3.38Å; L8-V31 HydrophobicContact CD1-CG1 3.83Å; L8-V31 HydrophobicContact CD2-CG1 3.43Å; L8-V31 VanDerWaalsContact CD2-CG1 3.43Å; L8-V31 HydrophobicContact CG-CG1 3.3Å; L8-L35 HydrophobicContact CD1-CB 3.68Å; L8-L35 HydrophobicContact CD1-CD1 3.8Å; L8-L35 HydrophobicContact CD1-CD2 3.66Å; L8-L35 HydrophobicContact CD1-CG 3.9Å; L8-A54 HydrophobicContact CD1-CB 4.31Å; L8-A54 HydrophobicContact CD2-CB 4.47Å; L8-M58 HydrophobicContact CD2-CG 3.78Å; L8-M58 HydrophobicContact CD2-SD 3.6Å
9V77.8Confident78.7Confident1 Ų183.3 Ų83.31%0.00641%0.405CS..Hα-helixtrans-69.4-35.2-179.9179.40000112I5 L6 D7 R11 F12 K13 R57 M58 E61I5-V9 PolarHBondContact O-N 3.04Å; I5-V9 VanDerWaalsContact O-N 3.14Å; L6-V9 PolarHBondContact O-N 3.4Å; D7-V9 PolarHBondContact O-N 2.74Å; V9-R11 VanDerWaalsContact C-N 3.33Å; V9-F12 WeakPolarHBondContact O-CB 3.46Å; V9-F12 PolarHBondContact O-N 3.29Å; V9-K13 PolarHBondContact O-N 3.15Å; V9-R57 HydrophobicContact CG2-CB 3.94Å; V9-R57 HydrophobicContact CG2-CG 3.55Å; V9-M58 HydrophobicContact CG2-CG 4.04Å; V9-E61 HydrophobicContact CG1-CB 3.81Å; V9-E61 HydrophobicContact CG1-CG 4.17Å; V9-E61 WeakPolarHBondContact CG1-OE2 3.47Å
10R83.5Confident78.8Confident165 Ų16583.1 Ų83.162%0.62341%0.411SS*.Hα-helixtrans-60.9-45.4170.2-70.3176.4-179.2-177.80.2111.1L6 D7 F12 K13 V14L6-R10 WeakPolarHBondContact O-CG 3.45Å; L6-R10 PolarHBondContact O-N 3.14Å; D7-R10 PolarHBondContact O-N 3.04Å; R10-F12 VanDerWaalsContact C-N 3.33Å; R10-F12 PolarHBondContact O-N 3.06Å; R10-K13 PolarHBondContact O-N 3.37Å; R10-V14 VanDerWaalsContact O-CG2 3.3Å; R10-V14 WeakPolarHBondContact O-CG2 3.3Å; R10-V14 PolarHBondContact O-N 3.39Å
11R85Confident78.8Confident123 Ų12384.8 Ų84.846%0.46442%0.422SS..Hα-helixtrans-61.8-41.5177.1-170.7174.6-177165-1.9111.8D7 L8 V9 V14 L15D7-R11 WeakPolarHBondContact O-CB 3.46Å; D7-R11 PolarHBondContact O-N 3.14Å; L8-R11 WeakPolarHBondContact O-CB 3.47Å; L8-R11 PolarHBondContact O-N 3.32Å; V9-R11 VanDerWaalsContact C-N 3.33Å; R11-V14 PolarHBondContact O-N 2.8Å; R11-L15 HydrophobicContact CG-CD1 4.02Å; R11-L15 HydrophobicContact CG-CG 4.38Å; R11-L15 WeakPolarHBondContact O-CB 3.31Å; R11-L15 VanDerWaalsContact O-CG 3.26Å; R11-L15 WeakPolarHBondContact O-CG 3.34Å; R11-L15 PolarHBondContact O-N 3.01Å
12F84.5Confident80Confident9 Ų981 Ų814%0.03940%0.401CS..Hα-helixtrans-57.5-51.9174.3175-108.8000111.5L8 V9 R10 V14 L15 C16 E24 V27 A28 V31 M58 V68L8-F12 PolarHBondContact O-N 3.38Å; V9-F12 WeakPolarHBondContact O-CB 3.46Å; V9-F12 PolarHBondContact O-N 3.29Å; R10-F12 VanDerWaalsContact C-N 3.33Å; R10-F12 PolarHBondContact O-N 3.06Å; F12-V14 PolarHBondContact O-N 2.97Å; F12-L15 PolarHBondContact O-N 3.18Å; F12-C16 VanDerWaalsContact CE2-SG 3.58Å; F12-C16 PolarHBondContact O-N 3.35Å; F12-C16 PolarHBondContact O-SG 3.28Å; F12-C16 VanDerWaalsContact O-SG 3.32Å; F12-E24 HydrophobicContact CZ-CB 4.4Å; F12-V27 HydrophobicContact CD2-CB 4.45Å; F12-V27 HydrophobicContact CD2-CG1 3.87Å; F12-V27 HydrophobicContact CE2-CB 4.18Å; F12-V27 HydrophobicContact CE2-CG1 4.08Å; F12-A28 HydrophobicContact CD2-CB 4.32Å; F12-A28 HydrophobicContact CE2-CB 3.72Å; F12-A28 HydrophobicContact CZ-CB 4.44Å; F12-V31 HydrophobicContact CB-CG2 4.34Å; F12-V31 HydrophobicContact CD2-CG2 4.43Å; F12-M58 HydrophobicContact CB-CE 4.41Å; F12-M58 HydrophobicContact CD1-CE 4.46Å; F12-M58 HydrophobicContact CD2-CE 3.56Å; F12-M58 HydrophobicContact CE2-CE 3.88Å; F12-M58 HydrophobicContact CG-CE 3.89Å; F12-M58 HydrophobicContact CZ-CE 4.45Å; F12-V68 HydrophobicContact CZ-CG2 4.17Å
13K84Confident80.9Confident83 Ų8375.9 Ų75.936%0.36137%0.37SS..Hα-helixtrans-56.2-48.7176.7-74.1174.7172.5169.10112.1V9 R10 L15 C16 E17 E61V9-K13 PolarHBondContact O-N 3.15Å; R10-K13 PolarHBondContact O-N 3.37Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 3.42Å; K13-C16 PolarHBondContact O-N 3.12Å; K13-E17 WeakPolarHBondContact O-CG 3.39Å; K13-E17 PolarHBondContact O-N 3.24Å; K13-E61 WeakPolarHBondContact CE-O 3.47Å; K13-E61 IonicContact NZ-OE2 3.58Å; K13-E61 PolarHBondContact NZ-OE2 3.13Å
14V87.3Confident81.6Confident58 Ų5872.8 Ų72.835%0.35234%0.344SS..Hα-helixtrans-61-40.5178.3171.70000111.9R10 R11 F12 R18R10-V14 VanDerWaalsContact O-CG2 3.3Å; R10-V14 WeakPolarHBondContact O-CG2 3.3Å; R10-V14 PolarHBondContact O-N 3.39Å; R11-V14 PolarHBondContact O-N 2.8Å; F12-V14 PolarHBondContact O-N 2.97Å; V14-R18 HydrophobicContact CG1-CG 4.42Å; V14-R18 WeakPolarHBondContact O-CB 3.29Å; V14-R18 VanDerWaalsContact O-CG 3.24Å; V14-R18 WeakPolarHBondContact O-CG 3.25Å; V14-R18 PolarHBondContact O-N 3.38Å
15L85.9Confident82.3Confident32 Ų3268.1 Ų68.117%0.16832%0.323CS..Hα-helixtrans-70.8-36.1179.6-73.4173.3000112.6R11 F12 K13 N19 V27 V31R11-L15 HydrophobicContact CG-CD1 4.02Å; R11-L15 HydrophobicContact CG-CG 4.38Å; R11-L15 WeakPolarHBondContact O-CB 3.31Å; R11-L15 VanDerWaalsContact O-CG 3.26Å; R11-L15 WeakPolarHBondContact O-CG 3.34Å; R11-L15 PolarHBondContact O-N 3.01Å; F12-L15 PolarHBondContact O-N 3.18Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-L15 PolarHBondContact O-N 3.42Å; L15-N19 PolarHBondContact O-N 3.4Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.43Å; L15-V27 HydrophobicContact CB-CG1 3.44Å; L15-V27 VanDerWaalsContact CB-CG1 3.44Å; L15-V27 HydrophobicContact CD1-CG1 4.28Å; L15-V31 HydrophobicContact CD1-CG2 3.62Å
16C83.3Confident83Confident28 Ų2867.7 Ų67.719%0.18932%0.321CS..Hα-helixtrans-63.6-44173.1-71.80000111.7F12 K13 N19F12-C16 VanDerWaalsContact CE2-SG 3.58Å; F12-C16 PolarHBondContact O-N 3.35Å; F12-C16 PolarHBondContact O-SG 3.28Å; F12-C16 VanDerWaalsContact O-SG 3.32Å; K13-C16 PolarHBondContact O-N 3.12Å; C16-N19 CarbonylContact O-C 3.57Å; C16-N19 PolarHBondContact O-N 3.44Å
17E84.2Confident83.7Confident154 Ų15464.2 Ų64.272%0.7230%0.303SS*.Hα-helixtrans-66.6-39.3177.3-72.2171.6-177.100112.4K13K13-E17 WeakPolarHBondContact O-CG 3.39Å; K13-E17 PolarHBondContact O-N 3.24Å
18R89Confident84.1Confident184 Ų18459.2 Ų59.269%0.69428%0.276SS*.Hα-helixtrans-69.5-29.6178.7-76177.1-178.2-172.12.2113.5V14V14-R18 HydrophobicContact CG1-CG 4.42Å; V14-R18 WeakPolarHBondContact O-CB 3.29Å; V14-R18 VanDerWaalsContact O-CG 3.24Å; V14-R18 WeakPolarHBondContact O-CG 3.25Å; V14-R18 PolarHBondContact O-N 3.38Å
19N84Confident84.5Confident61 Ų6158.6 Ų58.633%0.32627%0.273SS..  trans-127.373.6-173.9-61.2-78.5000111.8L15 C16 D21 K22L15-N19 PolarHBondContact O-N 3.4Å; L15-N19 VanDerWaalsContact O-N 3.12Å; L15-N19 PolarHBondContact O-ND2 3.43Å; C16-N19 CarbonylContact O-C 3.57Å; C16-N19 PolarHBondContact O-N 3.44Å; N19-D21 PolarHBondContact O-N 3.33Å; N19-D21 VanDerWaalsContact O-N 3.13Å; N19-K22 HydrophobicContact CB-CB 4.13Å; N19-K22 HydrophobicContact CB-CD 4.09Å; N19-K22 HydrophobicContact CB-CG 4.04Å; N19-K22 PolarHBondContact O-N 3.23Å
20P79.4Confident85Confident79 Ų7960.4 Ų60.451%0.51328%0.281SS..THydrogen-bonded Turntrans-62.7-23-177.125.4-35000114.1R135P20-R135 PolarHBondContact O-NE 2.98Å
21D79.3Confident85.2Confident120 Ų12052.6 Ų52.664%0.64225%0.252SS*.THydrogen-bonded Turntrans-81-23.1-178.8-62-31.1000113.4N19 R111N19-D21 PolarHBondContact O-N 3.33Å; N19-D21 VanDerWaalsContact O-N 3.13Å; D21-R111 PolarHBondContact O-NH1 3.21Å; D21-R111 VanDerWaalsContact O-NH1 3.15Å; D21-R111 PolarHBondContact O-NH2 3.26Å
22K82.6Confident85.3Confident76 Ų7646.8 Ų46.833%0.3323%0.23SC..SBendtrans-75.5141.9173.9-72.4-168.2178.3-168.50109.1N19 V27 E30N19-K22 HydrophobicContact CB-CB 4.13Å; N19-K22 HydrophobicContact CB-CD 4.09Å; N19-K22 HydrophobicContact CB-CG 4.04Å; N19-K22 PolarHBondContact O-N 3.23Å; K22-V27 HydrophobicContact CB-CG2 3.99Å; K22-V27 HydrophobicContact CD-CG2 4.39Å; K22-E30 IonicContact NZ-OE1 2.83Å; K22-E30 PolarHBondContact NZ-OE1 2.9Å; K22-E30 IonicContact NZ-OE2 2.67Å; K22-E30 PolarHBondContact NZ-OE2 2.7Å; K22-E30 VanDerWaalsContact NZ-OE2 3.13Å
23S82.6Confident85.4Confident5 Ų546.5 Ų46.54%0.03523%0.229CC..  trans-68.4140.4170.9-169.40000108.8A25 V26 V27S23-A25 PolarHBondContact O-N 3.3Å; S23-V26 WeakPolarHBondContact O-CB 3.34Å; S23-V26 PolarHBondContact O-N 3.43Å; S23-V27 PolarHBondContact O-N 3.33Å; S23-V27 VanDerWaalsContact O-N 3.15Å
24E84.7Confident85.5Confident33 Ų3345.2 Ų45.215%0.15423%0.225CC..Hα-helixtrans-55.2-34.3175-73.4154.3-121.400111.5F12 V26 V27 A28 S64 V68 R135F12-E24 HydrophobicContact CZ-CB 4.4Å; E24-V26 PolarHBondContact O-N 3.37Å; E24-V27 PolarHBondContact O-N 3.28Å; E24-A28 WeakPolarHBondContact O-CB 3.36Å; E24-A28 PolarHBondContact O-N 3.09Å; E24-S64 VanDerWaalsContact CD-OG 3.32Å; E24-S64 PolarHBondContact OE1-OG 3.03Å; E24-S64 WeakPolarHBondContact OE2-CB 3.2Å; E24-S64 PolarHBondContact OE2-OG 2.82Å; E24-V68 HydrophobicContact CB-CG2 4.16Å; E24-R135 IonicContact OE1-CZ 3.29Å; E24-R135 IonicContact OE1-NH1 3.48Å; E24-R135 IonicContact OE1-NH2 3.63Å; E24-R135 PolarHBondContact OE1-NH2 3.14Å
25A85.8Confident85.3Confident0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-56.8-44.6171.100000113.4S23 A28 I29 S67 A71 F236S23-A25 PolarHBondContact O-N 3.3Å; A25-A28 WeakPolarHBondContact O-CB 3.35Å; A25-A28 PolarHBondContact O-N 3.48Å; A25-I29 WeakPolarHBondContact O-CD1 3.47Å; A25-I29 VanDerWaalsContact O-CG1 3.27Å; A25-I29 WeakPolarHBondContact O-CG1 3.23Å; A25-I29 PolarHBondContact O-N 3.16Å; A25-S67 WeakPolarHBondContact CB-O 3.39Å; A25-A71 HydrophobicContact CB-CB 3.65Å; A25-F236 HydrophobicContact CB-CD2 3.97Å; A25-F236 HydrophobicContact CB-CE2 3.57Å
26V86.7Confident85.1Confident18 Ų1842 Ų4211%0.10921%0.205CC..Hα-helixtrans-66.7-43.4178.7-172.70000110.2S23 E24 A28 I29 E30 V107S23-V26 WeakPolarHBondContact O-CB 3.34Å; S23-V26 PolarHBondContact O-N 3.43Å; E24-V26 PolarHBondContact O-N 3.37Å; V26-A28 VanDerWaalsContact C-N 3.26Å; V26-A28 PolarHBondContact O-N 3Å; V26-I29 PolarHBondContact O-N 2.63Å; V26-E30 WeakPolarHBondContact O-CG 3.39Å; V26-E30 PolarHBondContact O-N 3.36Å; V26-V107 HydrophobicContact CB-CG1 4.19Å; V26-V107 HydrophobicContact CG1-CG1 4.12Å; V26-V107 HydrophobicContact CG2-CG1 3.34Å
27V88.4Confident85Confident1 Ų146 Ų461%0.00622%0.222CC..Hα-helixtrans-61.6-39.7177.1-179.20000110.3F12 L15 K22 S23 E24 E30 V31F12-V27 HydrophobicContact CD2-CB 4.45Å; F12-V27 HydrophobicContact CD2-CG1 3.87Å; F12-V27 HydrophobicContact CE2-CB 4.18Å; F12-V27 HydrophobicContact CE2-CG1 4.08Å; L15-V27 HydrophobicContact CB-CG1 3.44Å; L15-V27 VanDerWaalsContact CB-CG1 3.44Å; L15-V27 HydrophobicContact CD1-CG1 4.28Å; K22-V27 HydrophobicContact CB-CG2 3.99Å; K22-V27 HydrophobicContact CD-CG2 4.39Å; S23-V27 PolarHBondContact O-N 3.33Å; S23-V27 VanDerWaalsContact O-N 3.15Å; E24-V27 PolarHBondContact O-N 3.28Å; V27-E30 PolarHBondContact O-N 3.03Å; V27-V31 HydrophobicContact CG1-CG2 4.46Å; V27-V31 WeakPolarHBondContact O-CB 3.26Å; V27-V31 VanDerWaalsContact O-CG2 3.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.02Å
28A88.4Confident84.9Confident0 Ų042.8 Ų42.80%022%0.215CC..Hα-helixtrans-62.3-46.1177.600000111.9F12 E24 A25 V26 E30 V31 L32 M58 V68F12-A28 HydrophobicContact CD2-CB 4.32Å; F12-A28 HydrophobicContact CE2-CB 3.72Å; F12-A28 HydrophobicContact CZ-CB 4.44Å; E24-A28 WeakPolarHBondContact O-CB 3.36Å; E24-A28 PolarHBondContact O-N 3.09Å; A25-A28 WeakPolarHBondContact O-CB 3.35Å; A25-A28 PolarHBondContact O-N 3.48Å; V26-A28 VanDerWaalsContact C-N 3.26Å; V26-A28 PolarHBondContact O-N 3Å; A28-E30 PolarHBondContact O-N 3.45Å; A28-V31 PolarHBondContact O-N 3.49Å; A28-L32 WeakPolarHBondContact O-CG 3.31Å; A28-L32 PolarHBondContact O-N 3.46Å; A28-M58 VanDerWaalsContact CA-CE 3.44Å; A28-M58 HydrophobicContact CB-CE 3.36Å; A28-V68 HydrophobicContact CB-CG1 3.72Å; A28-V68 HydrophobicContact CB-CG2 4.29Å
29I88.3Confident84.5Confident1 Ų134.3 Ų34.31%0.00518%0.184CC..Hα-helixtrans-61.2-44.4175.6-64.9156.3000111.2A25 V26 V31 L32 A33 A71 F75 F103 I104 V107A25-I29 WeakPolarHBondContact O-CD1 3.47Å; A25-I29 VanDerWaalsContact O-CG1 3.27Å; A25-I29 WeakPolarHBondContact O-CG1 3.23Å; A25-I29 PolarHBondContact O-N 3.16Å; V26-I29 PolarHBondContact O-N 2.63Å; I29-V31 VanDerWaalsContact C-N 3.26Å; I29-V31 PolarHBondContact O-N 3.02Å; I29-L32 PolarHBondContact O-N 3.38Å; I29-A33 WeakPolarHBondContact O-CB 3.35Å; I29-A33 PolarHBondContact O-N 3.1Å; I29-A71 HydrophobicContact CD1-CB 3.94Å; I29-A71 HydrophobicContact CG1-CB 4.29Å; I29-F75 HydrophobicContact CG1-CB 4.39Å; I29-F75 HydrophobicContact CG2-CD2 3.56Å; I29-F75 HydrophobicContact CG2-CE2 3.74Å; I29-F75 HydrophobicContact CG2-CG 4.17Å; I29-F103 HydrophobicContact CD1-CD1 4.14Å; I29-F103 HydrophobicContact CD1-CE1 3.57Å; I29-F103 HydrophobicContact CG1-CE1 4.24Å; I29-F103 HydrophobicContact CG2-CD1 4.05Å; I29-F103 HydrophobicContact CG2-CE1 4.45Å; I29-I104 HydrophobicContact CG2-CD1 4.28Å; I29-I104 HydrophobicContact CG2-CG1 3.64Å; I29-V107 HydrophobicContact CD1-CG2 4.29Å
30E87.7Confident84.4Confident38 Ų3838 Ų3818%0.17820%0.204CC..Hα-helixtrans-59.1-40.5177.7-74.9175.9-175.100111.3K22 V26 V27 A28 Q34 I104K22-E30 IonicContact NZ-OE1 2.83Å; K22-E30 PolarHBondContact NZ-OE1 2.9Å; K22-E30 IonicContact NZ-OE2 2.67Å; K22-E30 PolarHBondContact NZ-OE2 2.7Å; K22-E30 VanDerWaalsContact NZ-OE2 3.13Å; V26-E30 WeakPolarHBondContact O-CG 3.39Å; V26-E30 PolarHBondContact O-N 3.36Å; V27-E30 PolarHBondContact O-N 3.03Å; A28-E30 PolarHBondContact O-N 3.45Å; E30-Q34 WeakPolarHBondContact O-CG 3.39Å; E30-Q34 PolarHBondContact O-N 2.98Å; E30-I104 HydrophobicContact CG-CD1 4.3Å; E30-I104 HydrophobicContact CG-CG2 4.34Å
31V87.6Confident84.6Confident2 Ų235.8 Ų35.81%0.01219%0.189CC..Hα-helixtrans-69-42.7177.5171.20000111.7L8 F12 L15 V27 A28 I29 Q34 L35L8-V31 HydrophobicContact CD1-CG1 3.83Å; L8-V31 HydrophobicContact CD2-CG1 3.43Å; L8-V31 VanDerWaalsContact CD2-CG1 3.43Å; L8-V31 HydrophobicContact CG-CG1 3.3Å; F12-V31 HydrophobicContact CB-CG2 4.34Å; F12-V31 HydrophobicContact CD2-CG2 4.43Å; L15-V31 HydrophobicContact CD1-CG2 3.62Å; V27-V31 HydrophobicContact CG1-CG2 4.46Å; V27-V31 WeakPolarHBondContact O-CB 3.26Å; V27-V31 VanDerWaalsContact O-CG2 3.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.02Å; A28-V31 PolarHBondContact O-N 3.49Å; I29-V31 VanDerWaalsContact C-N 3.26Å; I29-V31 PolarHBondContact O-N 3.02Å; V31-Q34 PolarHBondContact O-N 3.33Å; V31-L35 PolarHBondContact O-N 3.33Å
32L87.2Confident84.7Confident0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-65.4-37.3175.3-71178.7000112.4A28 I29 Q34 L35 H36 A54 I55 M58 C72 F75A28-L32 WeakPolarHBondContact O-CG 3.31Å; A28-L32 PolarHBondContact O-N 3.46Å; I29-L32 PolarHBondContact O-N 3.38Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.89Å; L32-L35 HydrophobicContact CD2-CD2 4.42Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 2.93Å; L32-H36 PolarHBondContact O-N 2.92Å; L32-A54 HydrophobicContact CD2-CB 3.94Å; L32-I55 HydrophobicContact CD1-CD1 4.18Å; L32-I55 HydrophobicContact CD1-CG1 3.8Å; L32-I55 HydrophobicContact CD2-CG1 4.2Å; L32-M58 HydrophobicContact CD2-SD 4.15Å; L32-M58 HydrophobicContact CG-SD 4.4Å; L32-C72 HydrophobicContact CD1-CB 3.79Å; L32-C72 WeakPolarHBondContact CD1-SG 3.25Å; L32-F75 HydrophobicContact CB-CD1 4.47Å; L32-F75 HydrophobicContact CB-CE1 4.12Å; L32-F75 HydrophobicContact CD1-CD1 4.42Å
33A86.8Confident84.7Confident3 Ų335.2 Ų35.23%0.02520%0.196CC..Hα-helixtrans-64-35175.100000112.2I29 H36 E37 F75 A100 I104I29-A33 WeakPolarHBondContact O-CB 3.35Å; I29-A33 PolarHBondContact O-N 3.1Å; A33-H36 WeakPolarHBondContact O-CB 3.31Å; A33-E37 PolarHBondContact O-N 3Å; A33-F75 HydrophobicContact CB-CZ 4.26Å; A33-A100 HydrophobicContact CB-CB 4.14Å; A33-I104 HydrophobicContact CB-CD1 3.91Å
34Q85.5Confident84.6Confident57 Ų5737.7 Ų37.727%0.26621%0.211SC..Hα-helixtrans-71.2-38.8172.9-71.5167.24.100112.1E30 V31 L32 H36 E37 C38E30-Q34 WeakPolarHBondContact O-CG 3.39Å; E30-Q34 PolarHBondContact O-N 2.98Å; V31-Q34 PolarHBondContact O-N 3.33Å; L32-Q34 VanDerWaalsContact C-N 3.29Å; L32-Q34 PolarHBondContact O-N 2.89Å; Q34-H36 VanDerWaalsContact C-N 3.27Å; Q34-H36 PolarHBondContact O-N 3.49Å; Q34-E37 PolarHBondContact O-N 3.41Å; Q34-C38 PolarHBondContact O-N 2.88Å; Q34-C38 PolarHBondContact O-SG 2.88Å
35L84.3Confident84.5Confident18 Ų1841.6 Ų41.69%0.09423%0.229CC..Hα-helixtrans-60.2-41.9173.7-177.566.1000111L8 V31 L32 E37 C38 S39 V50 A54L8-L35 HydrophobicContact CD1-CB 3.68Å; L8-L35 HydrophobicContact CD1-CD1 3.8Å; L8-L35 HydrophobicContact CD1-CD2 3.66Å; L8-L35 HydrophobicContact CD1-CG 3.9Å; V31-L35 PolarHBondContact O-N 3.33Å; L32-L35 HydrophobicContact CD2-CD2 4.42Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 2.93Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 2.96Å; L35-C38 PolarHBondContact O-N 3.32Å; L35-S39 VanDerWaalsContact O-CB 3.26Å; L35-S39 WeakPolarHBondContact O-CB 3.31Å; L35-S39 PolarHBondContact O-N 3.15Å; L35-V50 HydrophobicContact CD1-CG1 4.41Å; L35-V50 HydrophobicContact CD2-CG1 3.9Å; L35-V50 HydrophobicContact CG-CG1 4.27Å; L35-A54 HydrophobicContact CD2-CB 3.59Å
36H80.9Confident84.5Confident3 Ų342.3 Ų42.31%0.01424%0.237CC..Hα-helixtrans-56.5-47.1175.7-179.275.3000111.4L32 A33 Q34 S39 L47 K93 L96L32-H36 PolarHBondContact O-N 2.92Å; A33-H36 WeakPolarHBondContact O-CB 3.31Å; Q34-H36 VanDerWaalsContact C-N 3.27Å; Q34-H36 PolarHBondContact O-N 3.49Å; H36-S39 PolarHBondContact O-OG 2.94Å; H36-L47 WeakPolarHBondContact CE1-CD2 3.36Å; H36-L47 VanDerWaalsContact ND1-CD2 3.32Å; H36-L47 WeakPolarHBondContact ND1-CD2 3.5Å; H36-K93 PolarHBondContact NE2-O 3.36Å; H36-K93 WeakPolarHBondContact O-CE 3.24Å; H36-L96 VanDerWaalsContact CE1-CB 3.44Å; H36-L96 WeakPolarHBondContact CE1-CB 3.49Å; H36-L96 WeakPolarHBondContact NE2-CB 3.5Å
37E81.7Confident84.3Confident113 Ų11341.7 Ų41.753%0.52823%0.233SC..Hα-helixtrans-61-50.2177.7-170.7176-175.300112.1A33 Q34 L35 S39 K93 F97A33-E37 PolarHBondContact O-N 3Å; Q34-E37 PolarHBondContact O-N 3.41Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 2.96Å; E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 3.13Å; E37-K93 PolarHBondContact O-NZ 3.14Å; E37-F97 HydrophobicContact CB-CD2 4.32Å; E37-F97 HydrophobicContact CB-CE2 4.08Å; E37-F97 HydrophobicContact CG-CE2 4.36Å
38C82.1Confident84.1Confident86 Ų8644.2 Ų44.258%0.58125%0.245SC*.Hα-helixtrans-80.9-5.5-175.2-59.90000115.1Q34 L35Q34-C38 PolarHBondContact O-N 2.88Å; Q34-C38 PolarHBondContact O-SG 2.88Å; L35-C38 PolarHBondContact O-N 3.32Å
39S81Confident84Confident7 Ų748.1 Ų48.15%0.04927%0.265CS..  trans-72.4132.2-176.164.30000112.4L35 H36 E37 V41 K93L35-S39 VanDerWaalsContact O-CB 3.26Å; L35-S39 WeakPolarHBondContact O-CB 3.31Å; L35-S39 PolarHBondContact O-N 3.15Å; H36-S39 PolarHBondContact O-OG 2.94Å; E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 3.13Å; S39-V41 PolarHBondContact O-N 3.44Å; S39-K93 PolarHBondContact O-NZ 3.45Å
40D82.2Confident83.9Confident139 Ų13948.8 Ų48.874%0.74327%0.27SS*.  trans-83.211.8176.2-60.1-43.6000113
41V82.9Confident83.7Confident32 Ų3247.1 Ų47.119%0.19426%0.262CS..  trans-77.8138.7-174.3-173.50000110.2S39 T43 G46 L47 V50 F89S39-V41 PolarHBondContact O-N 3.44Å; V41-T43 WeakPolarHBondContact CG1-O 3.19Å; V41-G46 VanDerWaalsContact CG1-C 3.5Å; V41-L47 HydrophobicContact CG1-CB 4.43Å; V41-V50 HydrophobicContact CG2-CG2 3.87Å; V41-F89 WeakPolarHBondContact O-CE1 3.42Å; V41-F89 WeakPolarHBondContact O-CZ 3Å
42T81.4Confident83.6Confident110 Ų11049.4 Ų49.468%0.67527%0.274SS*.  trans-107.22-177.254.50000114.2F89T42-F89 WeakPolarHBondContact O-CD2 3.49Å; T42-F89 VanDerWaalsContact O-CG 3.26Å; T42-F89 WeakPolarHBondContact O-CG 3.36Å
43T83.4Confident83.5Confident74 Ų7451.3 Ų51.345%0.45429%0.289SS..SBendtrans-130.7146.4-178.364.80000111V41 Q45 G46 L47V41-T43 WeakPolarHBondContact CG1-O 3.19Å; T43-Q45 VanDerWaalsContact C-N 3.3Å; T43-Q45 PolarHBondContact O-N 3.16Å; T43-G46 PolarHBondContact O-N 3.38Å; T43-G46 PolarHBondContact OG1-N 3.02Å; T43-G46 VanDerWaalsContact OG1-N 3.16Å; T43-L47 PolarHBondContact O-N 3.49Å
44V80.5Confident83.4Confident56 Ų5651.1 Ų51.134%0.33929%0.288SS..Hα-helixtrans-62.4-40.2179.2179.70000111.1L47 H48 F89V44-L47 PolarHBondContact O-N 3.01Å; V44-H48 PolarHBondContact O-N 2.72Å; V44-F89 HydrophobicContact CG2-CD2 4.08Å; V44-F89 HydrophobicContact CG2-CE2 4.1Å
45Q82.2Confident83.4Confident115 Ų11549.1 Ų49.154%0.53728%0.279SS..Hα-helixtrans-64.6-46.8177.6-173.960.940.500111.8T43 L47 H48 D49T43-Q45 VanDerWaalsContact C-N 3.3Å; T43-Q45 PolarHBondContact O-N 3.16Å; Q45-L47 PolarHBondContact O-N 3.21Å; Q45-H48 WeakPolarHBondContact O-CA 3.49Å; Q45-H48 WeakPolarHBondContact O-CB 3.46Å; Q45-H48 PolarHBondContact O-N 3.22Å; Q45-H48 VanDerWaalsContact O-N 3.09Å; Q45-D49 PolarHBondContact NE2-OD1 3.05Å; Q45-D49 PolarHBondContact O-N 2.68Å
46G84.4Confident83.4Confident16 Ų1653 Ų5317%0.16530%0.297CS..Hα-helixtrans-62.9-34.8178.700000112.1V41 T43 D49 V50V41-G46 VanDerWaalsContact CG1-C 3.5Å; T43-G46 PolarHBondContact O-N 3.38Å; T43-G46 PolarHBondContact OG1-N 3.02Å; T43-G46 VanDerWaalsContact OG1-N 3.16Å; G46-D49 PolarHBondContact O-N 2.63Å; G46-V50 VanDerWaalsContact O-CG2 3.31Å; G46-V50 WeakPolarHBondContact O-CG2 3.28Å; G46-V50 PolarHBondContact O-N 2.79Å
47L83.2Confident83.4Confident4 Ų458 Ų582%0.02132%0.315CS..Hα-helixtrans-65.5-43.2174.7175.666.4000110.6H36 V41 T43 V44 Q45 V50 M51 L96H36-L47 WeakPolarHBondContact CE1-CD2 3.36Å; H36-L47 VanDerWaalsContact ND1-CD2 3.32Å; H36-L47 WeakPolarHBondContact ND1-CD2 3.5Å; V41-L47 HydrophobicContact CG1-CB 4.43Å; T43-L47 PolarHBondContact O-N 3.49Å; V44-L47 PolarHBondContact O-N 3.01Å; Q45-L47 PolarHBondContact O-N 3.21Å; L47-V50 PolarHBondContact O-N 3.33Å; L47-M51 HydrophobicContact CG-CE 4.16Å; L47-M51 WeakPolarHBondContact O-CG 3.42Å; L47-M51 PolarHBondContact O-N 3.01Å; L47-L96 HydrophobicContact CD2-CD1 3.85Å
48H83.8Confident83.4Confident55 Ų5552.6 Ų52.626%0.25529%0.29SS..Hα-helixtrans-59.4-45.1174.5-172.464.5000111.9V44 Q45 V50 M51 N52V44-H48 PolarHBondContact O-N 2.72Å; Q45-H48 WeakPolarHBondContact O-CA 3.49Å; Q45-H48 WeakPolarHBondContact O-CB 3.46Å; Q45-H48 PolarHBondContact O-N 3.22Å; Q45-H48 VanDerWaalsContact O-N 3.09Å; H48-V50 PolarHBondContact O-N 3.13Å; H48-M51 PolarHBondContact O-N 3.32Å; H48-N52 PolarHBondContact CD2-ND2 2.83Å; H48-N52 PolarHBondContact NE2-ND2 3.34Å; H48-N52 PolarHBondContact O-N 3.42Å; H48-N52 PolarHBondContact O-ND2 2.9Å
49D86.1Confident83.1Confident81 Ų8150.4 Ų50.443%0.43327%0.27SS..Hα-helixtrans-62.7-42.4178.4-61.6-20.7000111.8Q45 G46 N52 A53Q45-D49 PolarHBondContact NE2-OD1 3.05Å; Q45-D49 PolarHBondContact O-N 2.68Å; G46-D49 PolarHBondContact O-N 2.63Å; D49-N52 PolarHBondContact O-N 3.18Å; D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 3.11Å
50V86.1Confident82.8Confident16 Ų1654.1 Ų54.110%0.09729%0.285CS..Hα-helixtrans-63.6-41.8176.1168.20000111.5M1 L35 V41 G46 L47 H48 A54M1-V50 HydrophobicContact SD-CG2 3.66Å; L35-V50 HydrophobicContact CD1-CG1 4.41Å; L35-V50 HydrophobicContact CD2-CG1 3.9Å; L35-V50 HydrophobicContact CG-CG1 4.27Å; V41-V50 HydrophobicContact CG2-CG2 3.87Å; G46-V50 VanDerWaalsContact O-CG2 3.31Å; G46-V50 WeakPolarHBondContact O-CG2 3.28Å; G46-V50 PolarHBondContact O-N 2.79Å; L47-V50 PolarHBondContact O-N 3.33Å; H48-V50 PolarHBondContact O-N 3.13Å; V50-A54 WeakPolarHBondContact O-CB 3.29Å; V50-A54 PolarHBondContact O-N 3.29Å
51M84.1Confident82.1Confident3 Ų350.2 Ų50.22%0.01526%0.262CS..Hα-helixtrans-66.2-44.3176.5-70.2-174.1-63.300111.7L47 H48 A53 A54 I55 Q76 I79L47-M51 HydrophobicContact CG-CE 4.16Å; L47-M51 WeakPolarHBondContact O-CG 3.42Å; L47-M51 PolarHBondContact O-N 3.01Å; H48-M51 PolarHBondContact O-N 3.32Å; M51-A53 VanDerWaalsContact C-N 3.33Å; M51-A53 PolarHBondContact O-N 3.24Å; M51-A54 WeakPolarHBondContact O-CB 3.49Å; M51-A54 PolarHBondContact O-N 2.92Å; M51-A54 VanDerWaalsContact O-N 3.14Å; M51-I55 VanDerWaalsContact O-CG1 3.25Å; M51-I55 WeakPolarHBondContact O-CG1 3.37Å; M51-I55 PolarHBondContact O-N 3.27Å; M51-Q76 VanDerWaalsContact CB-NE2 3.29Å; M51-Q76 HydrophobicContact CE-CG 4.21Å; M51-Q76 HydrophobicContact SD-CG 4.34Å; M51-I79 HydrophobicContact CE-CD1 3.91Å; M51-I79 HydrophobicContact SD-CD1 3.75Å
52N85.9Confident81Confident49 Ų4949.8 Ų49.826%0.26226%0.264SS..Hα-helixtrans-59.9-44.5176.9-73.2-19.7000111.3H48 D49 A54 I55 E56 Q76H48-N52 PolarHBondContact CD2-ND2 2.83Å; H48-N52 PolarHBondContact NE2-ND2 3.34Å; H48-N52 PolarHBondContact O-N 3.42Å; H48-N52 PolarHBondContact O-ND2 2.9Å; D49-N52 PolarHBondContact O-N 3.18Å; N52-A54 VanDerWaalsContact C-N 3.29Å; N52-A54 PolarHBondContact O-N 2.82Å; N52-I55 PolarHBondContact O-N 3.42Å; N52-E56 VanDerWaalsContact O-CB 3.29Å; N52-E56 WeakPolarHBondContact O-CB 3.39Å; N52-E56 WeakPolarHBondContact O-CG 3.43Å; N52-E56 PolarHBondContact O-N 2.88Å; N52-Q76 PolarHBondContact OD1-NE2 2.79Å; N52-Q76 PolarHBondContact OD1-OE1 2.8Å
53A85.9Confident79.8Confident40 Ų4049.8 Ų49.833%0.33126%0.264SS..Hα-helixtrans-62.1-36.2175.700000112.6I5 D49 M51 R57I5-A53 HydrophobicContact CD1-CB 4.12Å; D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 3.11Å; M51-A53 VanDerWaalsContact C-N 3.33Å; M51-A53 PolarHBondContact O-N 3.24Å; A53-R57 PolarHBondContact O-N 3.2Å
54A84.8Confident78.7Confident0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-69.3-47.2175.900000112L8 L32 L35 V50 M51 N52 E56 R57 M58L8-A54 HydrophobicContact CD1-CB 4.31Å; L8-A54 HydrophobicContact CD2-CB 4.47Å; L32-A54 HydrophobicContact CD2-CB 3.94Å; L35-A54 HydrophobicContact CD2-CB 3.59Å; V50-A54 WeakPolarHBondContact O-CB 3.29Å; V50-A54 PolarHBondContact O-N 3.29Å; M51-A54 WeakPolarHBondContact O-CB 3.49Å; M51-A54 PolarHBondContact O-N 2.92Å; M51-A54 VanDerWaalsContact O-N 3.14Å; N52-A54 VanDerWaalsContact C-N 3.29Å; N52-A54 PolarHBondContact O-N 2.82Å; A54-E56 VanDerWaalsContact C-N 3.29Å; A54-E56 PolarHBondContact O-N 2.98Å; A54-R57 PolarHBondContact O-N 3.25Å; A54-R57 VanDerWaalsContact O-N 3.09Å; A54-M58 VanDerWaalsContact O-CG 3.23Å; A54-M58 WeakPolarHBondContact O-CG 3.38Å; A54-M58 PolarHBondContact O-N 3.36Å
55I84.5Confident78.5Confident15 Ų1546.2 Ų46.28%0.07724%0.243CC..Hα-helixtrans-56.8-47.7175.1-65.8163.8000109.6L32 M51 N52 R57 M58 W59 C72 Q76L32-I55 HydrophobicContact CD1-CD1 4.18Å; L32-I55 HydrophobicContact CD1-CG1 3.8Å; L32-I55 HydrophobicContact CD2-CG1 4.2Å; M51-I55 VanDerWaalsContact O-CG1 3.25Å; M51-I55 WeakPolarHBondContact O-CG1 3.37Å; M51-I55 PolarHBondContact O-N 3.27Å; N52-I55 PolarHBondContact O-N 3.42Å; I55-R57 PolarHBondContact O-N 3Å; I55-M58 PolarHBondContact O-N 2.79Å; I55-M58 VanDerWaalsContact O-N 3.13Å; I55-W59 PolarHBondContact O-N 2.87Å; I55-C72 HydrophobicContact CD1-CB 3.56Å; I55-C72 HydrophobicContact CG1-CB 3.62Å; I55-C72 HydrophobicContact CG2-CB 4.09Å; I55-Q76 HydrophobicContact CD1-CG 4.15Å
56E83.5Confident78.6Confident99 Ų9940.9 Ų40.946%0.46322%0.217SC..Hα-helixtrans-60.2-27.2179.1-89.6-166-142.900113.7N52 A54 W59 K60N52-E56 VanDerWaalsContact O-CB 3.29Å; N52-E56 WeakPolarHBondContact O-CB 3.39Å; N52-E56 WeakPolarHBondContact O-CG 3.43Å; N52-E56 PolarHBondContact O-N 2.88Å; A54-E56 VanDerWaalsContact C-N 3.29Å; A54-E56 PolarHBondContact O-N 2.98Å; E56-W59 PolarHBondContact O-NE1 2.61Å; E56-K60 VanDerWaalsContact O-CD 3.23Å; E56-K60 WeakPolarHBondContact O-CD 3.46Å; E56-K60 VanDerWaalsContact O-CG 3.22Å; E56-K60 WeakPolarHBondContact O-CG 3.24Å; E56-K60 IonicContact OE2-NZ 3.47Å; E56-K60 PolarHBondContact OE2-NZ 2.8Å
57R82.5Confident78.7Confident107 Ų10740.6 Ų40.640%0.40421%0.213SC..Hα-helixtrans-85.7-38.7176.1-166.672.1-172.1-179.91.4111.8I5 V9 A53 A54 I55 K60 E61I5-R57 HydrophobicContact CG2-CB 3.91Å; I5-R57 HydrophobicContact CG2-CG 4.1Å; V9-R57 HydrophobicContact CG2-CB 3.94Å; V9-R57 HydrophobicContact CG2-CG 3.55Å; A53-R57 PolarHBondContact O-N 3.2Å; A54-R57 PolarHBondContact O-N 3.25Å; A54-R57 VanDerWaalsContact O-N 3.09Å; I55-R57 PolarHBondContact O-N 3Å; R57-K60 PolarHBondContact O-N 3.36Å; R57-E61 IonicContact CZ-OE1 3.66Å; R57-E61 IonicContact NE-OE1 2.82Å; R57-E61 PolarHBondContact NE-OE1 3.4Å; R57-E61 IonicContact NH2-OE1 3.73Å; R57-E61 PolarHBondContact NH2-OE1 3.31Å; R57-E61 PolarHBondContact O-N 3.13Å
58M80.3Confident78.9Confident0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-62.1-43.7-177.5-72.7167.870.100112.5L8 V9 F12 A28 L32 A54 I55 G62L8-M58 HydrophobicContact CD2-CG 3.78Å; L8-M58 HydrophobicContact CD2-SD 3.6Å; V9-M58 HydrophobicContact CG2-CG 4.04Å; F12-M58 HydrophobicContact CB-CE 4.41Å; F12-M58 HydrophobicContact CD1-CE 4.46Å; F12-M58 HydrophobicContact CD2-CE 3.56Å; F12-M58 HydrophobicContact CE2-CE 3.88Å; F12-M58 HydrophobicContact CG-CE 3.89Å; F12-M58 HydrophobicContact CZ-CE 4.45Å; A28-M58 VanDerWaalsContact CA-CE 3.44Å; A28-M58 HydrophobicContact CB-CE 3.36Å; L32-M58 HydrophobicContact CD2-SD 4.15Å; L32-M58 HydrophobicContact CG-SD 4.4Å; A54-M58 VanDerWaalsContact O-CG 3.23Å; A54-M58 WeakPolarHBondContact O-CG 3.38Å; A54-M58 PolarHBondContact O-N 3.36Å; I55-M58 PolarHBondContact O-N 2.79Å; I55-M58 VanDerWaalsContact O-N 3.13Å; M58-G62 WeakPolarHBondContact O-CA 3.28Å; M58-G62 PolarHBondContact O-N 3.16Å
59W76.6Confident79.1Confident41 Ų4138.5 Ų38.516%0.15520%0.204CC..Hα-helixtrans-75.8-34.2177.276.7-41000113.5I55 E56 E61 G62 N65 I69 E252 F253I55-W59 PolarHBondContact O-N 2.87Å; E56-W59 PolarHBondContact O-NE1 2.61Å; W59-E61 PolarHBondContact O-N 3.29Å; W59-G62 PolarHBondContact O-N 3.21Å; W59-G62 VanDerWaalsContact O-N 3.12Å; W59-N65 HydrophobicContact CB-CB 4.37Å; W59-N65 HydrophobicContact CE3-CB 4.44Å; W59-N65 PolarHBondContact O-OD1 3.45Å; W59-I69 HydrophobicContact CB-CG1 4.25Å; W59-I69 HydrophobicContact CD2-CD1 3.97Å; W59-I69 HydrophobicContact CD2-CG1 4.18Å; W59-I69 HydrophobicContact CE3-CD1 3.13Å; W59-I69 HydrophobicContact CE3-CG1 3.82Å; W59-I69 HydrophobicContact CG-CG1 4.41Å; W59-I69 HydrophobicContact CZ3-CD1 3.46Å; W59-I69 VanDerWaalsContact CZ3-CD1 3.46Å; W59-I69 HydrophobicContact CZ3-CG1 4.35Å; W59-E252 HydrophobicContact CH2-CB 4.02Å; W59-E252 VanDerWaalsContact CH2-CD 3.45Å; W59-E252 HydrophobicContact CH2-CG 4.22Å; W59-E252 WeakPolarHBondContact CH2-OE2 3.37Å; W59-E252 HydrophobicContact CZ3-CB 3.62Å; W59-E252 HydrophobicContact CZ3-CG 3.87Å; W59-F253 HydrophobicContact CZ3-CE1 4.1Å
60K73.8Confident79.3Confident85 Ų8534.6 Ų34.637%0.3718%0.183SC..Hα-helixtrans-60.7-31.2175.1-78.7175.1-174.3159.10112.3E56 R57 Y257E56-K60 VanDerWaalsContact O-CD 3.23Å; E56-K60 WeakPolarHBondContact O-CD 3.46Å; E56-K60 VanDerWaalsContact O-CG 3.22Å; E56-K60 WeakPolarHBondContact O-CG 3.24Å; E56-K60 IonicContact OE2-NZ 3.47Å; E56-K60 PolarHBondContact OE2-NZ 2.8Å; R57-K60 PolarHBondContact O-N 3.36Å; K60-Y257 HydrophobicContact CG-CE2 4.32Å
61E68.9Low79.5Confident56 Ų5633.9 Ų33.926%0.26218%0.178SC..THydrogen-bonded Turntrans-101.2-3.1177.4-68-165-155.200113.9V9 K13 R57 W59V9-E61 HydrophobicContact CG1-CB 3.81Å; V9-E61 HydrophobicContact CG1-CG 4.17Å; V9-E61 WeakPolarHBondContact CG1-OE2 3.47Å; K13-E61 WeakPolarHBondContact CE-O 3.47Å; K13-E61 IonicContact NZ-OE2 3.58Å; K13-E61 PolarHBondContact NZ-OE2 3.13Å; R57-E61 IonicContact CZ-OE1 3.66Å; R57-E61 IonicContact NE-OE1 2.82Å; R57-E61 PolarHBondContact NE-OE1 3.4Å; R57-E61 IonicContact NH2-OE1 3.73Å; R57-E61 PolarHBondContact NH2-OE1 3.31Å; R57-E61 PolarHBondContact O-N 3.13Å; W59-E61 PolarHBondContact O-N 3.29Å
62G60.3Low79.7Confident23 Ų2333.7 Ų33.724%0.23718%0.178CC..  trans-87.7156.2-171.700000113M58 W59 N65M58-G62 WeakPolarHBondContact O-CA 3.28Å; M58-G62 PolarHBondContact O-N 3.16Å; W59-G62 PolarHBondContact O-N 3.21Å; W59-G62 VanDerWaalsContact O-N 3.12Å; G62-N65 PolarHBondContact O-OD1 2.98Å
63V56.2Low79.8Confident111 Ų11134.9 Ų34.967%0.67318%0.181SC*.SBendtrans-89.9-27.4178.2-1790000111.8
64S60.1Low80Confident27 Ų2733.3 Ų33.319%0.18917%0.167CC..  trans-129.487-178-34.40000111.4E24 V68E24-S64 VanDerWaalsContact CD-OG 3.32Å; E24-S64 PolarHBondContact OE1-OG 3.03Å; E24-S64 WeakPolarHBondContact OE2-CB 3.2Å; E24-S64 PolarHBondContact OE2-OG 2.82Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å
65N75.3Confident80.2Confident28 Ų2833.3 Ų33.315%0.1517%0.168CC..Hα-helixtrans-71.4-40.8-166.9-66.8-10.9000113.2W59 G62 V68 I69W59-N65 HydrophobicContact CB-CB 4.37Å; W59-N65 HydrophobicContact CE3-CB 4.44Å; W59-N65 PolarHBondContact O-OD1 3.45Å; G62-N65 PolarHBondContact O-OD1 2.98Å; N65-V68 PolarHBondContact O-N 3.47Å; N65-I69 HydrophobicContact CB-CD1 4.24Å; N65-I69 WeakPolarHBondContact O-CD1 3.36Å; N65-I69 WeakPolarHBondContact O-CG1 3.5Å; N65-I69 PolarHBondContact O-N 2.55Å
66L85.3Confident80.3Confident2 Ų233.3 Ų33.31%0.0117%0.167CC..Hα-helixtrans-64-54-167.6-82.3169.7000114.2V68 I69 S70 E201 A202 L210 M239 F253 V313L66-V68 PolarHBondContact O-N 2.86Å; L66-I69 PolarHBondContact O-N 3.08Å; L66-S70 PolarHBondContact O-N 2.99Å; L66-S70 VanDerWaalsContact O-N 3.1Å; L66-S70 PolarHBondContact O-OG 2.86Å; L66-E201 HydrophobicContact CB-CB 4.08Å; L66-E201 HydrophobicContact CD1-CB 4.13Å; L66-A202 HydrophobicContact CB-CB 4.26Å; L66-A202 HydrophobicContact CD2-CB 4.2Å; L66-L210 HydrophobicContact CD1-CB 3.9Å; L66-L210 HydrophobicContact CD1-CD1 4.08Å; L66-L210 HydrophobicContact CD2-CD1 3.82Å; L66-M239 HydrophobicContact CD2-CE 3.73Å; L66-M239 HydrophobicContact CD2-SD 4.17Å; L66-F253 HydrophobicContact CD1-CB 4.17Å; L66-F253 HydrophobicContact CD2-CB 3.63Å; L66-F253 HydrophobicContact CD2-CD1 3.43Å; L66-F253 VanDerWaalsContact CD2-CD1 3.43Å; L66-F253 HydrophobicContact CD2-CD2 3.53Å; L66-F253 HydrophobicContact CD2-CE1 3.96Å; L66-F253 HydrophobicContact CD2-CE2 4.02Å; L66-F253 HydrophobicContact CD2-CG 3.23Å; L66-F253 HydrophobicContact CD2-CZ 4.24Å; L66-F253 HydrophobicContact CG-CB 3.95Å; L66-F253 HydrophobicContact CG-CD1 4.12Å; L66-F253 HydrophobicContact CG-CG 4.02Å; L66-V313 HydrophobicContact CD1-CB 4.48Å; L66-V313 HydrophobicContact CD1-CG1 3.87Å; L66-V313 HydrophobicContact CD1-CG2 4.01Å
67S86.5Confident80.4Confident10 Ų1034.6 Ų34.67%0.0717%0.168CC..Hα-helixtrans-66.9-28.7-178-58.10000112.4A25 S70 A71 E201 K237A25-S67 WeakPolarHBondContact CB-O 3.39Å; S67-S70 PolarHBondContact O-OG 3.4Å; S67-A71 WeakPolarHBondContact O-CB 3.47Å; S67-A71 PolarHBondContact O-N 3.06Å; S67-E201 PolarHBondContact OG-O 3.47Å; S67-K237 WeakPolarHBondContact OG-CE 3.24Å
68V87.3Confident80.5Confident4 Ų431.8 Ų31.82%0.02416%0.159CC..Hα-helixtrans-69.7-47.4176.7172.30000109.7F12 E24 A28 S64 N65 L66 A71 C72F12-V68 HydrophobicContact CZ-CG2 4.17Å; E24-V68 HydrophobicContact CB-CG2 4.16Å; A28-V68 HydrophobicContact CB-CG1 3.72Å; A28-V68 HydrophobicContact CB-CG2 4.29Å; S64-V68 WeakPolarHBondContact O-CG2 3.26Å; N65-V68 PolarHBondContact O-N 3.47Å; L66-V68 PolarHBondContact O-N 2.86Å; V68-A71 PolarHBondContact O-N 3.13Å; V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.36Å; V68-C72 PolarHBondContact O-N 2.81Å; V68-C72 PolarHBondContact O-SG 3.41Å
69I88.2Confident80.5Confident11 Ų1131.9 Ų31.96%0.05616%0.159CC..Hα-helixtrans-59.8-54.7179.9-63.9157.3000110.6W59 N65 L66 A71 C72 E73 M239 F253W59-I69 HydrophobicContact CB-CG1 4.25Å; W59-I69 HydrophobicContact CD2-CD1 3.97Å; W59-I69 HydrophobicContact CD2-CG1 4.18Å; W59-I69 HydrophobicContact CE3-CD1 3.13Å; W59-I69 HydrophobicContact CE3-CG1 3.82Å; W59-I69 HydrophobicContact CG-CG1 4.41Å; W59-I69 HydrophobicContact CZ3-CD1 3.46Å; W59-I69 VanDerWaalsContact CZ3-CD1 3.46Å; W59-I69 HydrophobicContact CZ3-CG1 4.35Å; N65-I69 HydrophobicContact CB-CD1 4.24Å; N65-I69 WeakPolarHBondContact O-CD1 3.36Å; N65-I69 WeakPolarHBondContact O-CG1 3.5Å; N65-I69 PolarHBondContact O-N 2.55Å; L66-I69 PolarHBondContact O-N 3.08Å; I69-A71 VanDerWaalsContact C-N 3.26Å; I69-A71 PolarHBondContact O-N 2.85Å; I69-C72 PolarHBondContact O-N 2.88Å; I69-C72 VanDerWaalsContact O-N 3.14Å; I69-E73 HydrophobicContact CG2-CG 4.32Å; I69-E73 WeakPolarHBondContact O-CG 3.14Å; I69-E73 PolarHBondContact O-N 2.9Å; I69-M239 HydrophobicContact CB-CE 4.22Å; I69-M239 HydrophobicContact CG2-CE 4.06Å; I69-F253 HydrophobicContact CD1-CD1 4.04Å; I69-F253 HydrophobicContact CD1-CE1 3.47Å; I69-F253 VanDerWaalsContact CD1-CE1 3.47Å; I69-F253 HydrophobicContact CD1-CZ 4.48Å
70S89.5Confident80.6Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-58.5-41.4-177.967.20000111.8L66 S67 L74 F236 K237L66-S70 PolarHBondContact O-N 2.99Å; L66-S70 VanDerWaalsContact O-N 3.1Å; L66-S70 PolarHBondContact O-OG 2.86Å; S67-S70 PolarHBondContact O-OG 3.4Å; S70-L74 WeakPolarHBondContact O-CB 3.38Å; S70-L74 WeakPolarHBondContact O-CG 3.37Å; S70-L74 PolarHBondContact O-N 2.87Å; S70-F236 CarbonylContact C-O 3.53Å; S70-F236 PolarHBondContact OG-O 3.47Å; S70-K237 WeakPolarHBondContact OG-CA 3.46Å
71A89.7Confident80.8Confident0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-68.9-38.9-179.600000112.3A25 I29 S67 V68 I69 F75 F236A25-A71 HydrophobicContact CB-CB 3.65Å; I29-A71 HydrophobicContact CD1-CB 3.94Å; I29-A71 HydrophobicContact CG1-CB 4.29Å; S67-A71 WeakPolarHBondContact O-CB 3.47Å; S67-A71 PolarHBondContact O-N 3.06Å; V68-A71 PolarHBondContact O-N 3.13Å; I69-A71 VanDerWaalsContact C-N 3.26Å; I69-A71 PolarHBondContact O-N 2.85Å; A71-F75 WeakPolarHBondContact O-CB 3.34Å; A71-F75 PolarHBondContact O-N 3.14Å; A71-F236 WeakPolarHBondContact CA-O 3.41Å; A71-F236 HydrophobicContact CB-CD2 4Å; A71-F236 PolarHBondContact N-O 3.21Å
72C89.3Confident80.7Confident0 Ų029.6 Ų29.60%016%0.16CC..Hα-helixtrans-72.1-40.9178.3-64.90000111.8L32 I55 V68 I69 F75 Q76L32-C72 HydrophobicContact CD1-CB 3.79Å; L32-C72 WeakPolarHBondContact CD1-SG 3.25Å; I55-C72 HydrophobicContact CD1-CB 3.56Å; I55-C72 HydrophobicContact CG1-CB 3.62Å; I55-C72 HydrophobicContact CG2-CB 4.09Å; V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.36Å; V68-C72 PolarHBondContact O-N 2.81Å; V68-C72 PolarHBondContact O-SG 3.41Å; I69-C72 PolarHBondContact O-N 2.88Å; I69-C72 VanDerWaalsContact O-N 3.14Å; C72-F75 WeakPolarHBondContact O-CB 3.31Å; C72-F75 PolarHBondContact O-N 2.83Å; C72-Q76 WeakPolarHBondContact O-CG 3.5Å; C72-Q76 PolarHBondContact O-N 2.96Å
73E87.7Confident81Confident73 Ų7330.1 Ų30.134%0.34116%0.159SC..Hα-helixtrans-61.2-48.4174-73.4-174.7163.100111.4I69 F75 Q76 R77I69-E73 HydrophobicContact CG2-CG 4.32Å; I69-E73 WeakPolarHBondContact O-CG 3.14Å; I69-E73 PolarHBondContact O-N 2.9Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 2.82Å; E73-Q76 PolarHBondContact O-N 3.14Å; E73-R77 WeakPolarHBondContact O-CG 3.29Å; E73-R77 PolarHBondContact O-N 3.25Å
74L89Confident81.3Confident7 Ų732 Ų324%0.03716%0.164CC..Hα-helixtrans-63.1-38.1176.3-77.9173.9000112S70 R77 F78 F103 F236 L343 Y344S70-L74 WeakPolarHBondContact O-CB 3.38Å; S70-L74 WeakPolarHBondContact O-CG 3.37Å; S70-L74 PolarHBondContact O-N 2.87Å; L74-R77 PolarHBondContact O-N 3.41Å; L74-F78 VanDerWaalsContact O-CB 3.24Å; L74-F78 WeakPolarHBondContact O-CB 3.4Å; L74-F78 PolarHBondContact O-N 2.88Å; L74-F103 HydrophobicContact CB-CZ 4.33Å; L74-F236 HydrophobicContact CD1-CB 4.49Å; L74-L343 HydrophobicContact CD2-CB 3.93Å; L74-Y344 HydrophobicContact CD2-CD2 3.87Å; L74-Y344 HydrophobicContact CD2-CE1 4.36Å; L74-Y344 HydrophobicContact CD2-CE2 3.41Å; L74-Y344 VanDerWaalsContact CD2-CE2 3.41Å; L74-Y344 HydrophobicContact CG-CE2 4.19Å
75F88.7Confident81.6Confident1 Ų138 Ų380%0.00419%0.194CC..Hα-helixtrans-61-49.5174.4174.7-101.8000111.3I29 L32 A33 A71 C72 E73 R77 F78 I79 A100 F103I29-F75 HydrophobicContact CG1-CB 4.39Å; I29-F75 HydrophobicContact CG2-CD2 3.56Å; I29-F75 HydrophobicContact CG2-CE2 3.74Å; I29-F75 HydrophobicContact CG2-CG 4.17Å; L32-F75 HydrophobicContact CB-CD1 4.47Å; L32-F75 HydrophobicContact CB-CE1 4.12Å; L32-F75 HydrophobicContact CD1-CD1 4.42Å; A33-F75 HydrophobicContact CB-CZ 4.26Å; A71-F75 WeakPolarHBondContact O-CB 3.34Å; A71-F75 PolarHBondContact O-N 3.14Å; C72-F75 WeakPolarHBondContact O-CB 3.31Å; C72-F75 PolarHBondContact O-N 2.83Å; E73-F75 VanDerWaalsContact C-N 3.31Å; E73-F75 PolarHBondContact O-N 2.82Å; F75-R77 VanDerWaalsContact C-N 3.32Å; F75-R77 PolarHBondContact O-N 3.26Å; F75-F78 PolarHBondContact O-N 2.85Å; F75-I79 HydrophobicContact CD1-CD1 4.31Å; F75-I79 HydrophobicContact CD2-CG2 4.35Å; F75-I79 HydrophobicContact CE1-CD1 3.91Å; F75-I79 HydrophobicContact CE1-CG2 4.4Å; F75-I79 HydrophobicContact CE2-CG2 4.05Å; F75-I79 HydrophobicContact CZ-CD1 4.45Å; F75-I79 HydrophobicContact CZ-CG2 4.07Å; F75-I79 WeakPolarHBondContact O-CG1 3.2Å; F75-I79 WeakPolarHBondContact O-CG2 3.49Å; F75-I79 PolarHBondContact O-N 3.12Å; F75-A100 HydrophobicContact CE2-CB 3.46Å; F75-A100 VanDerWaalsContact CE2-CB 3.46Å; F75-A100 HydrophobicContact CZ-CB 3.5Å; F75-F103 HydrophobicContact CB-CD1 4.43Å; F75-F103 HydrophobicContact CB-CE1 4.07Å; F75-F103 HydrophobicContact CD2-CB 4.43Å; F75-F103 AromaticContact CD2-CD1 3.72Å; F75-F103 HydrophobicContact CD2-CD1 3.72Å; F75-F103 HydrophobicContact CD2-CE1 4.2Å; F75-F103 HydrophobicContact CD2-CG 4.21Å
76Q86.9Confident81.2Confident14 Ų1439 Ų397%0.06520%0.202CC..Hα-helixtrans-59.1-42.5177.7-76.1-175.6-2500112.3M51 N52 I55 C72 E73 I79 T80M51-Q76 VanDerWaalsContact CB-NE2 3.29Å; M51-Q76 HydrophobicContact CE-CG 4.21Å; M51-Q76 HydrophobicContact SD-CG 4.34Å; N52-Q76 PolarHBondContact OD1-NE2 2.79Å; N52-Q76 PolarHBondContact OD1-OE1 2.8Å; I55-Q76 HydrophobicContact CD1-CG 4.15Å; C72-Q76 WeakPolarHBondContact O-CG 3.5Å; C72-Q76 PolarHBondContact O-N 2.96Å; E73-Q76 PolarHBondContact O-N 3.14Å; Q76-I79 WeakPolarHBondContact O-CG1 3.44Å; Q76-T80 WeakPolarHBondContact O-CB 3.18Å; Q76-T80 VanDerWaalsContact O-CG2 3.3Å; Q76-T80 WeakPolarHBondContact O-CG2 3.4Å; Q76-T80 PolarHBondContact O-N 2.97Å; Q76-T80 PolarHBondContact O-OG1 3.17Å
77R85.4Confident80.4Confident127 Ų12746.4 Ų46.448%0.47925%0.247SC..Hα-helixtrans-63.5-48.1174.8-68.3-70.4172.8178.5-3.3111.1E73 L74 F75 I79 T80 L81 Y344E73-R77 WeakPolarHBondContact O-CG 3.29Å; E73-R77 PolarHBondContact O-N 3.25Å; L74-R77 PolarHBondContact O-N 3.41Å; F75-R77 VanDerWaalsContact C-N 3.32Å; F75-R77 PolarHBondContact O-N 3.26Å; R77-I79 VanDerWaalsContact C-N 3.27Å; R77-I79 PolarHBondContact O-N 3.41Å; R77-T80 WeakPolarHBondContact CA-OG1 3.19Å; R77-T80 PolarHBondContact O-N 3.03Å; R77-T80 PolarHBondContact O-OG1 3.3Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.46Å; R77-L81 PolarHBondContact O-N 2.99Å; R77-Y344 HydrophobicContact CG-CD1 4.14Å
78F85Confident80.2Confident48 Ų4850.4 Ų50.421%0.21127%0.267CS..Hα-helixtrans-58.3-39.1-178.9-174.8-97.8000112.8L74 F75 R99 I102 F103L74-F78 VanDerWaalsContact O-CB 3.24Å; L74-F78 WeakPolarHBondContact O-CB 3.4Å; L74-F78 PolarHBondContact O-N 2.88Å; F75-F78 PolarHBondContact O-N 2.85Å; F78-R99 HydrophobicContact CD1-CB 4.27Å; F78-R99 HydrophobicContact CE1-CB 3.91Å; F78-R99 HydrophobicContact CE1-CG 4.5Å; F78-R99 WeakPolarHBondContact CE1-O 3.45Å; F78-R99 VanDerWaalsContact O-CZ 3.25Å; F78-R99 PolarHBondContact O-NE 2.79Å; F78-R99 PolarHBondContact O-NH2 3.18Å; F78-I102 HydrophobicContact CZ-CG2 4.41Å; F78-F103 HydrophobicContact CB-CD2 3.96Å; F78-F103 HydrophobicContact CB-CE2 4.16Å; F78-F103 HydrophobicContact CD1-CB 3.86Å; F78-F103 AromaticContact CD1-CD2 3.75Å; F78-F103 HydrophobicContact CD1-CD2 3.75Å; F78-F103 HydrophobicContact CD1-CG 4.17Å; F78-F103 HydrophobicContact CD2-CD2 4.11Å; F78-F103 HydrophobicContact CE1-CB 3.99Å; F78-F103 HydrophobicContact CE1-CD2 4.28Å; F78-F103 AromaticContact CG-CD2 3.65Å; F78-F103 HydrophobicContact CG-CD2 3.65Å; F78-F103 HydrophobicContact CG-CE2 4.24Å; F78-F103 HydrophobicContact CG-CG 4.47Å
79I80.7Confident79.9Confident1 Ų151.8 Ų51.81%0.00527%0.273CS..Hα-helixtrans-76-43.2177.568.8178.4000111.3M51 F75 Q76 R77 L81 A82 L96 R99 A100M51-I79 HydrophobicContact CE-CD1 3.91Å; M51-I79 HydrophobicContact SD-CD1 3.75Å; F75-I79 HydrophobicContact CD1-CD1 4.31Å; F75-I79 HydrophobicContact CD2-CG2 4.35Å; F75-I79 HydrophobicContact CE1-CD1 3.91Å; F75-I79 HydrophobicContact CE1-CG2 4.4Å; F75-I79 HydrophobicContact CE2-CG2 4.05Å; F75-I79 HydrophobicContact CZ-CD1 4.45Å; F75-I79 HydrophobicContact CZ-CG2 4.07Å; F75-I79 WeakPolarHBondContact O-CG1 3.2Å; F75-I79 WeakPolarHBondContact O-CG2 3.49Å; F75-I79 PolarHBondContact O-N 3.12Å; Q76-I79 WeakPolarHBondContact O-CG1 3.44Å; R77-I79 VanDerWaalsContact C-N 3.27Å; R77-I79 PolarHBondContact O-N 3.41Å; I79-L81 PolarHBondContact O-N 3.11Å; I79-A82 PolarHBondContact O-N 3.17Å; I79-L96 VanDerWaalsContact C-CD2 3.4Å; I79-L96 HydrophobicContact CB-CD2 3.54Å; I79-L96 HydrophobicContact CD1-CD2 4.45Å; I79-L96 HydrophobicContact CG1-CD2 3.97Å; I79-L96 WeakPolarHBondContact O-CD2 3.29Å; I79-R99 HydrophobicContact CG2-CB 4.41Å; I79-A100 HydrophobicContact CG2-CB 4.42Å
80T79Confident79.6Confident38 Ų3856.8 Ų56.823%0.23330%0.3CS..Hα-helixtrans-71.5-24.1-175.850.90000114.3Q76 R77 A82 T83Q76-T80 WeakPolarHBondContact O-CB 3.18Å; Q76-T80 VanDerWaalsContact O-CG2 3.3Å; Q76-T80 WeakPolarHBondContact O-CG2 3.4Å; Q76-T80 PolarHBondContact O-N 2.97Å; Q76-T80 PolarHBondContact O-OG1 3.17Å; R77-T80 WeakPolarHBondContact CA-OG1 3.19Å; R77-T80 PolarHBondContact O-N 3.03Å; R77-T80 PolarHBondContact O-OG1 3.3Å; T80-A82 PolarHBondContact O-N 2.83Å; T80-T83 PolarHBondContact O-N 2.8Å; T80-T83 VanDerWaalsContact O-N 3.09Å; T80-T83 PolarHBondContact O-OG1 2.98Å
81L76.9Confident79.3Confident73 Ų7360.4 Ų60.438%0.38232%0.317SS..THydrogen-bonded Turntrans-57.6-24.2175.6-76.4172.1000113.9R77 I79 L345R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.46Å; R77-L81 PolarHBondContact O-N 2.99Å; I79-L81 PolarHBondContact O-N 3.11Å; L81-L345 WeakPolarHBondContact CD2-O 3.47Å
82A67.9Low78.9Confident24 Ų2460.7 Ų60.720%0.19832%0.318CS..THydrogen-bonded Turntrans-89.7-8.1-179.300000114.4I79 T80 L84 V95I79-A82 PolarHBondContact O-N 3.17Å; T80-A82 PolarHBondContact O-N 2.83Å; A82-L84 PolarHBondContact O-N 3.13Å; A82-V95 HydrophobicContact CB-CG1 4.21Å
83T66.7Low78.6Confident33 Ų3362.9 Ų62.920%0.20233%0.328CS..THydrogen-bonded Turntrans-79.13.2-171.457.50000114.3T80 D85 C92 L96T80-T83 PolarHBondContact O-N 2.8Å; T80-T83 VanDerWaalsContact O-N 3.09Å; T80-T83 PolarHBondContact O-OG1 2.98Å; T83-D85 PolarHBondContact O-N 3.3Å; T83-C92 VanDerWaalsContact CG2-SG 3.51Å; T83-L96 HydrophobicContact CG2-CD1 4.13Å; T83-L96 HydrophobicContact CG2-CD2 3.65Å; T83-L96 HydrophobicContact CG2-CG 4.11Å
84L62.4Low78.5Confident151 Ų15165.2 Ų65.279%0.79133%0.334SS*.THydrogen-bonded Turntrans-76.7-18.8-173.3-68.4171000114A82A82-L84 PolarHBondContact O-N 3.13Å
85D65Low78.3Confident152 Ų15266.5 Ų66.581%0.81334%0.342SS*.SBendtrans-114.8-2.7-167.9-64-27.6000115.6T83T83-D85 PolarHBondContact O-N 3.3Å
86T67.8Low78Confident51 Ų5166.7 Ų66.731%0.31334%0.342SS..  trans-102.8127.8-174.857.50000113C92T86-C92 WeakPolarHBondContact OG1-CB 3.49Å
87V67.8Low77.9Confident157 Ų15769 Ų6995%0.95235%0.353SS*.SBendtrans-79.1-32178.1-174.60000112.4
88D82.3Confident78Confident94 Ų9467.7 Ų67.750%0.50335%0.352SS..  trans-99.5134.8-177.2-173.417.6000111.9D90 E91 C92D88-D90 PolarHBondContact OD1-N 3.21Å; D88-E91 HydrophobicContact CB-CB 4.3Å; D88-C92 WeakPolarHBondContact O-CB 3.34Å; D88-C92 PolarHBondContact O-N 3.32Å
89F81.9Confident78.1Confident33 Ų3368.5 Ų68.515%0.14535%0.353CS..Hα-helixtrans-72.3-33.5-178.3179.8-95.5000112V41 T42 V44 C92 K93V41-F89 WeakPolarHBondContact O-CE1 3.42Å; V41-F89 WeakPolarHBondContact O-CZ 3Å; T42-F89 WeakPolarHBondContact O-CD2 3.49Å; T42-F89 VanDerWaalsContact O-CG 3.26Å; T42-F89 WeakPolarHBondContact O-CG 3.36Å; V44-F89 HydrophobicContact CG2-CD2 4.08Å; V44-F89 HydrophobicContact CG2-CE2 4.1Å; F89-C92 VanDerWaalsContact O-CB 3.31Å; F89-C92 WeakPolarHBondContact O-CB 3.42Å; F89-C92 PolarHBondContact O-N 3.39Å; F89-K93 HydrophobicContact CE1-CB 4.45Å; F89-K93 HydrophobicContact CE1-CD 4.39Å; F89-K93 WeakPolarHBondContact O-CB 3.39Å; F89-K93 PolarHBondContact O-N 3.17Å
90D82.3Confident78.4Confident116 Ų11668.5 Ų68.562%0.6235%0.354SS*.Hα-helixtrans-67.6-41178.7-75.5-25.2000111.2D88 K93 R94D88-D90 PolarHBondContact OD1-N 3.21Å; D90-K93 PolarHBondContact O-N 3.24Å; D90-R94 PolarHBondContact O-N 3.44Å
91E82.4Confident78.9Confident76 Ų7669.7 Ų69.736%0.35536%0.356SS..Hα-helixtrans-66-40.7172.6-177.461.4-177.800111.5D88 K93 R94 V95D88-E91 HydrophobicContact CB-CB 4.3Å; E91-K93 VanDerWaalsContact C-N 3.33Å; E91-K93 PolarHBondContact O-N 2.91Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 3.1Å; E91-R94 IonicContact OE1-CZ 2.7Å; E91-R94 IonicContact OE1-NE 3.69Å; E91-R94 PolarHBondContact OE1-NE 2.9Å; E91-R94 IonicContact OE1-NH2 3.81Å; E91-R94 PolarHBondContact OE1-NH2 2.88Å; E91-R94 IonicContact OE2-CZ 3.03Å; E91-R94 IonicContact OE2-NE 2.95Å; E91-R94 PolarHBondContact OE2-NE 2.86Å; E91-R94 IonicContact OE2-NH2 3.42Å; E91-V95 WeakPolarHBondContact O-CG2 3.28Å; E91-V95 PolarHBondContact O-N 3.16Å
92C81.7Confident79.5Confident5 Ų569.5 Ų69.53%0.03436%0.355CS..Hα-helixtrans-56.3-47.7172.2-168.60000111.2T83 T86 D88 F89 R94 V95 L96T83-C92 VanDerWaalsContact CG2-SG 3.51Å; T86-C92 WeakPolarHBondContact OG1-CB 3.49Å; D88-C92 WeakPolarHBondContact O-CB 3.34Å; D88-C92 PolarHBondContact O-N 3.32Å; F89-C92 VanDerWaalsContact O-CB 3.31Å; F89-C92 WeakPolarHBondContact O-CB 3.42Å; F89-C92 PolarHBondContact O-N 3.39Å; C92-R94 VanDerWaalsContact C-N 3.32Å; C92-R94 PolarHBondContact O-N 2.87Å; C92-V95 PolarHBondContact O-N 2.94Å; C92-L96 WeakPolarHBondContact O-CB 3.49Å; C92-L96 WeakPolarHBondContact O-CG 3.35Å; C92-L96 PolarHBondContact O-N 2.84Å
93K82.7Confident80.6Confident46 Ų4669.2 Ų69.220%0.235%0.35CS..Hα-helixtrans-60.7-40.3178.7-171.2176.5178.2-178.60111.5H36 E37 S39 F89 D90 E91 F97H36-K93 PolarHBondContact NE2-O 3.36Å; H36-K93 WeakPolarHBondContact O-CE 3.24Å; E37-K93 PolarHBondContact O-NZ 3.14Å; S39-K93 PolarHBondContact O-NZ 3.45Å; F89-K93 HydrophobicContact CE1-CB 4.45Å; F89-K93 HydrophobicContact CE1-CD 4.39Å; F89-K93 WeakPolarHBondContact O-CB 3.39Å; F89-K93 PolarHBondContact O-N 3.17Å; D90-K93 PolarHBondContact O-N 3.24Å; E91-K93 VanDerWaalsContact C-N 3.33Å; E91-K93 PolarHBondContact O-N 2.91Å; K93-F97 PolarHBondContact O-N 2.96Å
94R85.5Confident81.6Confident123 Ų12368.8 Ų68.846%0.46435%0.346SS..Hα-helixtrans-63.6-48.4175.2-168.1-170.369.171.7-1.3112D90 E91 C92 L96 F97 E98D90-R94 PolarHBondContact O-N 3.44Å; E91-R94 WeakPolarHBondContact O-CB 3.44Å; E91-R94 PolarHBondContact O-N 3.1Å; E91-R94 IonicContact OE1-CZ 2.7Å; E91-R94 IonicContact OE1-NE 3.69Å; E91-R94 PolarHBondContact OE1-NE 2.9Å; E91-R94 IonicContact OE1-NH2 3.81Å; E91-R94 PolarHBondContact OE1-NH2 2.88Å; E91-R94 IonicContact OE2-CZ 3.03Å; E91-R94 IonicContact OE2-NE 2.95Å; E91-R94 PolarHBondContact OE2-NE 2.86Å; E91-R94 IonicContact OE2-NH2 3.42Å; C92-R94 VanDerWaalsContact C-N 3.32Å; C92-R94 PolarHBondContact O-N 2.87Å; R94-L96 PolarHBondContact O-N 2.85Å; R94-F97 PolarHBondContact O-N 2.99Å; R94-E98 IonicContact NH1-OE2 3.49Å; R94-E98 PolarHBondContact NH1-OE2 2.95Å; R94-E98 PolarHBondContact O-N 2.97Å
95V85.1Confident82.9Confident34 Ų3469.1 Ų69.121%0.20634%0.336CS..Hα-helixtrans-62.2-43.21781720000111A82 E91 C92 F97 E98 R99A82-V95 HydrophobicContact CB-CG1 4.21Å; E91-V95 WeakPolarHBondContact O-CG2 3.28Å; E91-V95 PolarHBondContact O-N 3.16Å; C92-V95 PolarHBondContact O-N 2.94Å; V95-F97 VanDerWaalsContact C-N 3.31Å; V95-F97 PolarHBondContact O-N 2.78Å; V95-E98 PolarHBondContact O-N 3.32Å; V95-R99 WeakPolarHBondContact O-CG 3.45Å; V95-R99 PolarHBondContact O-N 2.86Å
96L82.6Confident84.1Confident4 Ų466 Ų662%0.02132%0.316CS..Hα-helixtrans-58.7-42.9175.7-72.7171000111.8H36 L47 I79 T83 C92 R94 R99 A100H36-L96 VanDerWaalsContact CE1-CB 3.44Å; H36-L96 WeakPolarHBondContact CE1-CB 3.49Å; H36-L96 WeakPolarHBondContact NE2-CB 3.5Å; L47-L96 HydrophobicContact CD2-CD1 3.85Å; I79-L96 VanDerWaalsContact C-CD2 3.4Å; I79-L96 HydrophobicContact CB-CD2 3.54Å; I79-L96 HydrophobicContact CD1-CD2 4.45Å; I79-L96 HydrophobicContact CG1-CD2 3.97Å; I79-L96 WeakPolarHBondContact O-CD2 3.29Å; T83-L96 HydrophobicContact CG2-CD1 4.13Å; T83-L96 HydrophobicContact CG2-CD2 3.65Å; T83-L96 HydrophobicContact CG2-CG 4.11Å; C92-L96 WeakPolarHBondContact O-CB 3.49Å; C92-L96 WeakPolarHBondContact O-CG 3.35Å; C92-L96 PolarHBondContact O-N 2.84Å; R94-L96 PolarHBondContact O-N 2.85Å; L96-R99 PolarHBondContact O-N 2.87Å; L96-A100 WeakPolarHBondContact O-CB 3.08Å; L96-A100 PolarHBondContact O-N 3.22Å
97F84.6Confident85.1Confident63 Ų6364 Ų6428%0.27630%0.303SS..Hα-helixtrans-66.7-42.9177-175.9-100000112.3E37 K93 R94 V95 R99 A100 Q101E37-F97 HydrophobicContact CB-CD2 4.32Å; E37-F97 HydrophobicContact CB-CE2 4.08Å; E37-F97 HydrophobicContact CG-CE2 4.36Å; K93-F97 PolarHBondContact O-N 2.96Å; R94-F97 PolarHBondContact O-N 2.99Å; V95-F97 VanDerWaalsContact C-N 3.31Å; V95-F97 PolarHBondContact O-N 2.78Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 3.14Å; F97-A100 WeakPolarHBondContact O-CB 3.48Å; F97-A100 PolarHBondContact O-N 3.16Å; F97-A100 VanDerWaalsContact O-N 3.16Å; F97-Q101 HydrophobicContact CD1-CG 4.32Å; F97-Q101 HydrophobicContact CE1-CG 3.97Å; F97-Q101 HydrophobicContact CZ-CG 4.23Å; F97-Q101 WeakPolarHBondContact O-CG 3.44Å; F97-Q101 PolarHBondContact O-N 2.76Å
98E87.2Confident86Confident99 Ų9959.4 Ų59.446%0.46329%0.288SS..Hα-helixtrans-59.6-43.4176.3-173.7175.1174.700111.3R94 V95 Q101 I102R94-E98 IonicContact NH1-OE2 3.49Å; R94-E98 PolarHBondContact NH1-OE2 2.95Å; R94-E98 PolarHBondContact O-N 2.97Å; V95-E98 PolarHBondContact O-N 3.32Å; E98-Q101 PolarHBondContact O-N 3.37Å; E98-I102 HydrophobicContact CG-CD1 4.41Å; E98-I102 WeakPolarHBondContact O-CG1 3.14Å; E98-I102 PolarHBondContact O-N 3.4Å
99R87.2Confident86.4Confident65 Ų6556.8 Ų56.825%0.24528%0.277CS..Hα-helixtrans-63.5-41.3173.9-71-176.672.691.1-1.1112.3F78 I79 V95 L96 F97 Q101 I102 F103F78-R99 HydrophobicContact CD1-CB 4.27Å; F78-R99 HydrophobicContact CE1-CB 3.91Å; F78-R99 HydrophobicContact CE1-CG 4.5Å; F78-R99 WeakPolarHBondContact CE1-O 3.45Å; F78-R99 VanDerWaalsContact O-CZ 3.25Å; F78-R99 PolarHBondContact O-NE 2.79Å; F78-R99 PolarHBondContact O-NH2 3.18Å; I79-R99 HydrophobicContact CG2-CB 4.41Å; V95-R99 WeakPolarHBondContact O-CG 3.45Å; V95-R99 PolarHBondContact O-N 2.86Å; L96-R99 PolarHBondContact O-N 2.87Å; F97-R99 VanDerWaalsContact C-N 3.31Å; F97-R99 PolarHBondContact O-N 3.14Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; R99-Q101 PolarHBondContact O-N 2.77Å; R99-I102 WeakPolarHBondContact O-CB 3.37Å; R99-I102 PolarHBondContact O-N 3.4Å; R99-I102 VanDerWaalsContact O-N 3.17Å; R99-F103 PolarHBondContact O-N 3.47Å
100A87.4Confident86.9Confident1 Ų155.3 Ų55.31%0.00827%0.271CS..Hα-helixtrans-57.1-43.9175.200000111.6A33 F75 I79 L96 F97 F103 I104A33-A100 HydrophobicContact CB-CB 4.14Å; F75-A100 HydrophobicContact CE2-CB 3.46Å; F75-A100 VanDerWaalsContact CE2-CB 3.46Å; F75-A100 HydrophobicContact CZ-CB 3.5Å; I79-A100 HydrophobicContact CG2-CB 4.42Å; L96-A100 WeakPolarHBondContact O-CB 3.08Å; L96-A100 PolarHBondContact O-N 3.22Å; F97-A100 WeakPolarHBondContact O-CB 3.48Å; F97-A100 PolarHBondContact O-N 3.16Å; F97-A100 VanDerWaalsContact O-N 3.16Å; A100-F103 WeakPolarHBondContact O-CB 3.33Å; A100-F103 PolarHBondContact O-N 2.94Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 2.97Å
101Q89.5Confident87.4Confident63 Ų6353.1 Ų53.129%0.29425%0.254SS..Hα-helixtrans-65.9-39.3176.2-64.8-58.8-30.700112.7F97 E98 R99 F103 I104 R105F97-Q101 HydrophobicContact CD1-CG 4.32Å; F97-Q101 HydrophobicContact CE1-CG 3.97Å; F97-Q101 HydrophobicContact CZ-CG 4.23Å; F97-Q101 WeakPolarHBondContact O-CG 3.44Å; F97-Q101 PolarHBondContact O-N 2.76Å; E98-Q101 PolarHBondContact O-N 3.37Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; R99-Q101 PolarHBondContact O-N 2.77Å; Q101-F103 VanDerWaalsContact C-N 3.31Å; Q101-F103 PolarHBondContact O-N 3.43Å; Q101-I104 PolarHBondContact O-N 3.12Å; Q101-R105 WeakPolarHBondContact O-CG 3.45Å; Q101-R105 PolarHBondContact O-N 2.81Å
102I90.1Very high88Confident69 Ų6958 Ų5835%0.35427%0.269SS..Hα-helixtrans-60-44.3173-67.7164.8000110.4F78 E98 R99 R105 K106F78-I102 HydrophobicContact CZ-CG2 4.41Å; E98-I102 HydrophobicContact CG-CD1 4.41Å; E98-I102 WeakPolarHBondContact O-CG1 3.14Å; E98-I102 PolarHBondContact O-N 3.4Å; R99-I102 WeakPolarHBondContact O-CB 3.37Å; R99-I102 PolarHBondContact O-N 3.4Å; R99-I102 VanDerWaalsContact O-N 3.17Å; I102-R105 VanDerWaalsContact CG1-NH2 3.25Å; I102-R105 PolarHBondContact O-N 3.3Å; I102-K106 PolarHBondContact O-N 3.26Å
103F89.4Confident88.6Confident19 Ų1961.9 Ų61.98%0.08329%0.285CS..Hα-helixtrans-63.5-46.2179.6-168.6-96.3000111.8I29 L74 F75 F78 R99 A100 Q101 R105 K106 V107I29-F103 HydrophobicContact CD1-CD1 4.14Å; I29-F103 HydrophobicContact CD1-CE1 3.57Å; I29-F103 HydrophobicContact CG1-CE1 4.24Å; I29-F103 HydrophobicContact CG2-CD1 4.05Å; I29-F103 HydrophobicContact CG2-CE1 4.45Å; L74-F103 HydrophobicContact CB-CZ 4.33Å; F75-F103 HydrophobicContact CB-CD1 4.43Å; F75-F103 HydrophobicContact CB-CE1 4.07Å; F75-F103 HydrophobicContact CD2-CB 4.43Å; F75-F103 AromaticContact CD2-CD1 3.72Å; F75-F103 HydrophobicContact CD2-CD1 3.72Å; F75-F103 HydrophobicContact CD2-CE1 4.2Å; F75-F103 HydrophobicContact CD2-CG 4.21Å; F78-F103 HydrophobicContact CB-CD2 3.96Å; F78-F103 HydrophobicContact CB-CE2 4.16Å; F78-F103 HydrophobicContact CD1-CB 3.86Å; F78-F103 AromaticContact CD1-CD2 3.75Å; F78-F103 HydrophobicContact CD1-CD2 3.75Å; F78-F103 HydrophobicContact CD1-CG 4.17Å; F78-F103 HydrophobicContact CD2-CD2 4.11Å; F78-F103 HydrophobicContact CE1-CB 3.99Å; F78-F103 HydrophobicContact CE1-CD2 4.28Å; F78-F103 AromaticContact CG-CD2 3.65Å; F78-F103 HydrophobicContact CG-CD2 3.65Å; F78-F103 HydrophobicContact CG-CE2 4.24Å; F78-F103 HydrophobicContact CG-CG 4.47Å; R99-F103 PolarHBondContact O-N 3.47Å; A100-F103 WeakPolarHBondContact O-CB 3.33Å; A100-F103 PolarHBondContact O-N 2.94Å; Q101-F103 VanDerWaalsContact C-N 3.31Å; Q101-F103 PolarHBondContact O-N 3.43Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.96Å; F103-K106 WeakPolarHBondContact O-CB 3.45Å; F103-K106 PolarHBondContact O-N 2.85Å; F103-K106 VanDerWaalsContact O-N 3.13Å; F103-V107 HydrophobicContact CD1-CG2 3.88Å; F103-V107 HydrophobicContact CE1-CG2 3.67Å; F103-V107 HydrophobicContact CZ-CG2 4.14Å; F103-V107 WeakPolarHBondContact O-CB 3.27Å; F103-V107 WeakPolarHBondContact O-CG2 3.43Å; F103-V107 PolarHBondContact O-N 2.73Å
104I88.7Confident89.3Confident24 Ų2459.7 Ų59.712%0.12328%0.276CS..Hα-helixtrans-58.1-44.9175.9-68.4164.8000111I29 E30 A33 A100 Q101 K106 V107 G108I29-I104 HydrophobicContact CG2-CD1 4.28Å; I29-I104 HydrophobicContact CG2-CG1 3.64Å; E30-I104 HydrophobicContact CG-CD1 4.3Å; E30-I104 HydrophobicContact CG-CG2 4.34Å; A33-I104 HydrophobicContact CB-CD1 3.91Å; A100-I104 WeakPolarHBondContact O-CG1 3.33Å; A100-I104 PolarHBondContact O-N 2.97Å; Q101-I104 PolarHBondContact O-N 3.12Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.23Å; I104-V107 PolarHBondContact O-N 3.06Å; I104-G108 PolarHBondContact O-N 3.1Å
105R90.3Very high89.8Confident157 Ų15754.1 Ų54.159%0.59226%0.256SS*.Hα-helixtrans-61.5-42.2176-72.8-169.8-63.8-96.77.3112.1Q101 I102 F103 G108 S109Q101-R105 WeakPolarHBondContact O-CG 3.45Å; Q101-R105 PolarHBondContact O-N 2.81Å; I102-R105 VanDerWaalsContact CG1-NH2 3.25Å; I102-R105 PolarHBondContact O-N 3.3Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.96Å; R105-G108 PolarHBondContact O-N 2.91Å; R105-S109 PolarHBondContact O-N 3.25Å
106K89.6Confident90.3Very high86 Ų8656.4 Ų56.437%0.37426%0.264SS..Hα-helixtrans-61.1-51.4177.5-171.9178.1178.6-1750110.4I102 F103 I104 G108 S109 C110I102-K106 PolarHBondContact O-N 3.26Å; F103-K106 WeakPolarHBondContact O-CB 3.45Å; F103-K106 PolarHBondContact O-N 2.85Å; F103-K106 VanDerWaalsContact O-N 3.13Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.23Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 3.04Å; K106-S109 PolarHBondContact O-N 3.06Å; K106-S109 PolarHBondContact O-OG 3.41Å; K106-C110 PolarHBondContact O-N 3.36Å; K106-C110 PolarHBondContact O-SG 2.87Å
107V88.4Confident90.9Very high9 Ų958.4 Ų58.46%0.05528%0.275CS..Hα-helixtrans-57.1-41.7178.9167.70000112.1V26 I29 F103 I104 S109 C110 F236V26-V107 HydrophobicContact CB-CG1 4.19Å; V26-V107 HydrophobicContact CG1-CG1 4.12Å; V26-V107 HydrophobicContact CG2-CG1 3.34Å; I29-V107 HydrophobicContact CD1-CG2 4.29Å; F103-V107 HydrophobicContact CD1-CG2 3.88Å; F103-V107 HydrophobicContact CE1-CG2 3.67Å; F103-V107 HydrophobicContact CZ-CG2 4.14Å; F103-V107 WeakPolarHBondContact O-CB 3.27Å; F103-V107 WeakPolarHBondContact O-CG2 3.43Å; F103-V107 PolarHBondContact O-N 2.73Å; I104-V107 PolarHBondContact O-N 3.06Å; V107-S109 PolarHBondContact O-N 3.48Å; V107-C110 PolarHBondContact O-N 2.94Å; V107-F236 HydrophobicContact CB-CD1 4.32Å; V107-F236 HydrophobicContact CG1-CD1 3.83Å; V107-F236 HydrophobicContact CG1-CE1 3.67Å; V107-F236 HydrophobicContact CG1-CZ 4.35Å; V107-F236 HydrophobicContact CG2-CB 4.44Å; V107-F236 HydrophobicContact CG2-CD1 3.88Å; V107-F236 HydrophobicContact CG2-CG 4.39Å
108G87.4Confident91.4Very high61 Ų6155.4 Ų55.463%0.62926%0.262SS*.Hα-helixtrans-62.7-25.7176.600000114.4I104 R105 K106I104-G108 PolarHBondContact O-N 3.1Å; R105-G108 PolarHBondContact O-N 2.91Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 3.04Å
109S90.6Very high91.7Very high39 Ų3952.2 Ų52.227%0.27325%0.248SC..Hα-helixtrans-89.4-15.5179.374.60000114.4R105 K106 V107 R111 R112 K113R105-S109 PolarHBondContact O-N 3.25Å; K106-S109 PolarHBondContact O-N 3.06Å; K106-S109 PolarHBondContact O-OG 3.41Å; V107-S109 PolarHBondContact O-N 3.48Å; S109-R111 PolarHBondContact O-N 3.35Å; S109-R112 PolarHBondContact O-N 3.03Å; S109-K113 PolarHBondContact O-N 2.92Å
110C93.2Very high91.9Very high2 Ų255.6 Ų55.61%0.01427%0.271CS..Hα-helixtrans-58.7-45.5-171.4-64.50000112.7K106 V107 R112 K113 I114 E234 D327K106-C110 PolarHBondContact O-N 3.36Å; K106-C110 PolarHBondContact O-SG 2.87Å; V107-C110 PolarHBondContact O-N 2.94Å; C110-R112 VanDerWaalsContact C-N 3.31Å; C110-R112 PolarHBondContact O-N 3.4Å; C110-K113 PolarHBondContact O-N 2.68Å; C110-I114 VanDerWaalsContact O-CG1 3.31Å; C110-I114 WeakPolarHBondContact O-CG1 3.5Å; C110-I114 PolarHBondContact O-N 3.49Å; C110-E234 HydrophobicContact CB-CB 4.34Å; C110-E234 HydrophobicContact CB-CG 4.15Å; C110-D327 HydrophobicContact CB-CB 3.77Å; C110-D327 VanDerWaalsContact SG-CG 3.51Å; C110-D327 PolarHBondContact SG-OD2 3.05Å
111R92.9Very high92.2Very high70 Ų7059.2 Ų59.226%0.26429%0.285SS..Hα-helixtrans-61.1-38.5-175.7-164.5-177.6-59.5163.3-3.5112.8D21 S109 A115 A139D21-R111 PolarHBondContact O-NH1 3.21Å; D21-R111 VanDerWaalsContact O-NH1 3.15Å; D21-R111 PolarHBondContact O-NH2 3.26Å; S109-R111 PolarHBondContact O-N 3.35Å; R111-A115 PolarHBondContact O-N 3.47Å; R111-A115 VanDerWaalsContact O-N 3.1Å; R111-A139 HydrophobicContact CG-CB 3.7Å
112R93.7Very high92.3Very high178 Ų17856.4 Ų56.467%0.67227%0.272SS*.Hα-helixtrans-66.5-46.1177.1-177.9175.8-65.6140.21.6111.2S109 C110 I114 A115 E116S109-R112 PolarHBondContact O-N 3.03Å; C110-R112 VanDerWaalsContact C-N 3.31Å; C110-R112 PolarHBondContact O-N 3.4Å; R112-I114 VanDerWaalsContact C-N 3.31Å; R112-I114 PolarHBondContact O-N 2.87Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.92Å; R112-A115 VanDerWaalsContact O-N 3.15Å; R112-E116 WeakPolarHBondContact CG-OE1 2.99Å; R112-E116 WeakPolarHBondContact O-CG 3.37Å; R112-E116 PolarHBondContact O-N 3.16Å
113K95.6Very high92.4Very high88 Ų8856.9 Ų56.938%0.38328%0.279SS..Hα-helixtrans-59.8-41.3177.1-67.5179.3177-179.40112.1S109 C110 A115 E116 N117 D327S109-K113 PolarHBondContact O-N 2.92Å; C110-K113 PolarHBondContact O-N 2.68Å; K113-A115 VanDerWaalsContact C-N 3.34Å; K113-A115 PolarHBondContact O-N 3.27Å; K113-E116 PolarHBondContact O-N 3.31Å; K113-N117 WeakPolarHBondContact O-CB 3.43Å; K113-N117 VanDerWaalsContact O-CG 3.24Å; K113-N117 PolarHBondContact O-N 2.95Å; K113-N117 PolarHBondContact O-ND2 3.33Å; K113-D327 HydrophobicContact CB-CB 4.21Å; K113-D327 HydrophobicContact CD-CB 4.3Å
114I96.9Very high92.5Very high0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-62.3-43.1176.2-66.3162.8000110.8C110 R112 N117 F118 V136 L232 A233 E234 I325 T326 D327C110-I114 VanDerWaalsContact O-CG1 3.31Å; C110-I114 WeakPolarHBondContact O-CG1 3.5Å; C110-I114 PolarHBondContact O-N 3.49Å; R112-I114 VanDerWaalsContact C-N 3.31Å; R112-I114 PolarHBondContact O-N 2.87Å; I114-N117 PolarHBondContact O-N 2.88Å; I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 3.27Å; I114-V136 HydrophobicContact CB-CG1 4.25Å; I114-V136 HydrophobicContact CD1-CG1 4.05Å; I114-V136 HydrophobicContact CG2-CG1 3.64Å; I114-L232 HydrophobicContact CG2-CB 4.11Å; I114-L232 HydrophobicContact CG2-CD1 4.46Å; I114-L232 HydrophobicContact CG2-CD2 4.38Å; I114-A233 WeakPolarHBondContact CD1-O 3.45Å; I114-E234 HydrophobicContact CD1-CB 4.29Å; I114-E234 HydrophobicContact CD1-CG 3.76Å; I114-I325 HydrophobicContact CG2-CG2 4.35Å; I114-T326 VanDerWaalsContact CG1-C 3.43Å; I114-D327 HydrophobicContact CG1-CB 4.33Å
115A95.7Very high92.8Very high5 Ų561.8 Ų61.84%0.04132%0.317CS..Hα-helixtrans-62.1-42.7177.600000112.4R111 R112 K113 F118 L119 A140 Y143R111-A115 PolarHBondContact O-N 3.47Å; R111-A115 VanDerWaalsContact O-N 3.1Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.92Å; R112-A115 VanDerWaalsContact O-N 3.15Å; K113-A115 VanDerWaalsContact C-N 3.34Å; K113-A115 PolarHBondContact O-N 3.27Å; A115-F118 PolarHBondContact O-N 2.79Å; A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.12Å; A115-A140 HydrophobicContact CB-CB 4.22Å; A115-Y143 HydrophobicContact CB-CD1 4.12Å; A115-Y143 HydrophobicContact CB-CG 4.01Å
116E95.2Very high93Very high82 Ų8254.4 Ų54.438%0.38329%0.289SS..Hα-helixtrans-63-45.7175.1-71.2166.9-17300111.7R112 K113 L119 Y143R112-E116 WeakPolarHBondContact CG-OE1 2.99Å; R112-E116 WeakPolarHBondContact O-CG 3.37Å; R112-E116 PolarHBondContact O-N 3.16Å; K113-E116 PolarHBondContact O-N 3.31Å; E116-L119 WeakPolarHBondContact O-CB 3.35Å; E116-L119 PolarHBondContact O-N 2.84Å; E116-Y143 HydrophobicContact CG-CE1 4.01Å
117N95.7Very high93.3Very high47 Ų4751.8 Ų51.825%0.25128%0.28SS..Hα-helixtrans-63.9-41.9177.8-71.7-18.4000111.9K113 I114 L119 Y121 I325 T326 V330K113-N117 WeakPolarHBondContact O-CB 3.43Å; K113-N117 VanDerWaalsContact O-CG 3.24Å; K113-N117 PolarHBondContact O-N 2.95Å; K113-N117 PolarHBondContact O-ND2 3.33Å; I114-N117 PolarHBondContact O-N 2.88Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-L119 PolarHBondContact O-N 3.38Å; N117-Y121 VanDerWaalsContact O-CD2 3.31Å; N117-Y121 WeakPolarHBondContact O-CD2 3.33Å; N117-Y121 WeakPolarHBondContact O-CE2 3.4Å; N117-I325 HydrophobicContact CB-CG2 3.72Å; N117-T326 PolarHBondContact ND2-O 2.96Å; N117-V330 HydrophobicContact CB-CG2 4.49Å
118F95.8Very high93.7Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-67.5-32.5-179.1-179.7-130.6000112.8I114 A115 N120 Y121 I122 A140 L141 V197 Y230 L232 I325I114-F118 VanDerWaalsContact O-CB 3.26Å; I114-F118 WeakPolarHBondContact O-CB 3.49Å; I114-F118 PolarHBondContact O-N 3.27Å; A115-F118 PolarHBondContact O-N 2.79Å; F118-N120 PolarHBondContact O-N 3.36Å; F118-Y121 PolarHBondContact O-N 3.11Å; F118-I122 HydrophobicContact CD1-CD1 3.43Å; F118-I122 VanDerWaalsContact CD1-CD1 3.43Å; F118-I122 HydrophobicContact CD1-CG1 4.12Å; F118-I122 HydrophobicContact CD2-CD1 4.36Å; F118-I122 HydrophobicContact CD2-CG1 4.15Å; F118-I122 HydrophobicContact CE1-CD1 3.03Å; F118-I122 HydrophobicContact CE1-CG1 3.68Å; F118-I122 HydrophobicContact CE2-CD1 4.02Å; F118-I122 HydrophobicContact CE2-CG1 3.67Å; F118-I122 HydrophobicContact CG-CD1 4.12Å; F118-I122 HydrophobicContact CG-CG1 4.37Å; F118-I122 HydrophobicContact CZ-CD1 3.34Å; F118-I122 HydrophobicContact CZ-CG1 3.4Å; F118-A140 HydrophobicContact CD1-CB 3.6Å; F118-A140 HydrophobicContact CE1-CB 4.26Å; F118-A140 HydrophobicContact CG-CB 4.44Å; F118-L141 HydrophobicContact CE1-CD2 4.41Å; F118-V197 HydrophobicContact CE2-CG2 3.99Å; F118-V197 HydrophobicContact CZ-CG1 4.15Å; F118-V197 HydrophobicContact CZ-CG2 3.55Å; F118-Y230 HydrophobicContact CE2-CD2 4.18Å; F118-L232 HydrophobicContact CB-CD2 4.21Å; F118-L232 HydrophobicContact CD1-CD1 3.93Å; F118-L232 HydrophobicContact CD2-CD2 3.83Å; F118-L232 HydrophobicContact CE1-CD1 4.18Å; F118-L232 HydrophobicContact CE2-CD2 4.35Å; F118-L232 HydrophobicContact CG-CD1 4.09Å; F118-L232 HydrophobicContact CG-CD2 3.95Å; F118-I325 HydrophobicContact CB-CD1 4.35Å; F118-I325 HydrophobicContact CB-CG2 4.17Å; F118-I325 HydrophobicContact CD2-CD1 3.52Å; F118-I325 HydrophobicContact CE2-CD1 4.32Å; F118-I325 HydrophobicContact CG-CD1 4.38Å
119L93.6Very high94.2Very high32 Ų3248.4 Ų48.417%0.16825%0.248CC..Hα-helixtrans-52.7-34.9-176.7-17764.9000112.8A115 E116 N117 Y121 Y143 A144 T147 K149A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.12Å; E116-L119 WeakPolarHBondContact O-CB 3.35Å; E116-L119 PolarHBondContact O-N 2.84Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-L119 PolarHBondContact O-N 3.38Å; L119-Y121 PolarHBondContact O-N 2.81Å; L119-Y143 HydrophobicContact CB-CE1 4.48Å; L119-Y143 HydrophobicContact CD2-CD1 4.42Å; L119-Y143 HydrophobicContact CD2-CE1 3.89Å; L119-A144 HydrophobicContact CD1-CB 4.14Å; L119-T147 HydrophobicContact CD1-CG2 4.26Å; L119-T147 WeakPolarHBondContact CD1-OG1 3.46Å; L119-T147 HydrophobicContact CD2-CG2 3.95Å; L119-K149 HydrophobicContact CD1-CD 4.03Å; L119-K149 PolarHBondContact O-NZ 3.34Å
120N90.8Very high94.5Very high136 Ų13646.7 Ų46.773%0.72724%0.235SC*.THydrogen-bonded Turntrans-70.5-17.5-178.4-63.9-35.6000113.9F118F118-N120 PolarHBondContact O-N 3.36Å
121Y92.8Very high94.6Very high77 Ų7747 Ų4730%0.30224%0.236SC..THydrogen-bonded Turntrans-100.3-2.1-175.2-65.5-89.9000113.9N117 F118 L119 P123 Y323 I325 V330N117-Y121 VanDerWaalsContact O-CD2 3.31Å; N117-Y121 WeakPolarHBondContact O-CD2 3.33Å; N117-Y121 WeakPolarHBondContact O-CE2 3.4Å; F118-Y121 PolarHBondContact O-N 3.11Å; L119-Y121 PolarHBondContact O-N 2.81Å; Y121-P123 WeakPolarHBondContact O-CD 3.49Å; Y121-Y323 HydrophobicContact CE1-CD2 4.28Å; Y121-Y323 HydrophobicContact CE1-CE2 4.38Å; Y121-I325 HydrophobicContact CD2-CD1 4.09Å; Y121-I325 HydrophobicContact CG-CD1 4.34Å; Y121-V330 HydrophobicContact CE2-CG1 4.42Å; Y121-V330 HydrophobicContact CE2-CG2 3.59Å
122I92.3Very high94.6Very high4 Ų443.8 Ų43.82%0.02123%0.225CC..  trans-106.7110.5-178.3-51170.7000110F118 S126 I128 A144 K149 L151F118-I122 HydrophobicContact CD1-CD1 3.43Å; F118-I122 VanDerWaalsContact CD1-CD1 3.43Å; F118-I122 HydrophobicContact CD1-CG1 4.12Å; F118-I122 HydrophobicContact CD2-CD1 4.36Å; F118-I122 HydrophobicContact CD2-CG1 4.15Å; F118-I122 HydrophobicContact CE1-CD1 3.03Å; F118-I122 HydrophobicContact CE1-CG1 3.68Å; F118-I122 HydrophobicContact CE2-CD1 4.02Å; F118-I122 HydrophobicContact CE2-CG1 3.67Å; F118-I122 HydrophobicContact CG-CD1 4.12Å; F118-I122 HydrophobicContact CG-CG1 4.37Å; F118-I122 HydrophobicContact CZ-CD1 3.34Å; F118-I122 HydrophobicContact CZ-CG1 3.4Å; I122-S126 WeakPolarHBondContact CG2-OG 3.5Å; I122-I128 HydrophobicContact CG2-CD1 4.07Å; I122-A144 HydrophobicContact CD1-CB 3.95Å; I122-K149 PolarHBondContact O-NZ 3.19Å; I122-L151 HydrophobicContact CG2-CD2 3.45Å; I122-L151 VanDerWaalsContact CG2-CD2 3.45Å
123P91.5Very high94.6Very high78 Ų7837.5 Ų37.551%0.50620%0.201SC..  trans-64.5150.8170.1-20.733.5000111.9Y121 S126Y121-P123 WeakPolarHBondContact O-CD 3.49Å; P123-S126 WeakPolarHBondContact O-CB 3.3Å; P123-S126 PolarHBondContact O-N 3.47Å; P123-S126 PolarHBondContact O-OG 2.94Å
124N93.1Very high94.5Very high104 Ų10434.1 Ų34.156%0.55619%0.189SC*.THydrogen-bonded Turntrans-68.6132.4171-173.328.8000109.9K149 R150N124-K149 WeakPolarHBondContact OD1-CA 3.31Å; N124-R150 PolarHBondContact OD1-N 3.4Å
125G93.2Very high94.3Very high43 Ų4337.3 Ų37.344%0.44320%0.201SC..THydrogen-bonded Turntrans84.211.7-175.700000114.5R150G125-R150 WeakPolarHBondContact CA-O 3.38Å; G125-R150 PolarHBondContact N-O 3.03Å
126S94.3Very high94.3Very high2 Ų237.2 Ų37.21%0.01420%0.2CC..  trans-72.7144.6-177.949.40000113.3I122 P123 L151 H152 D194I122-S126 WeakPolarHBondContact CG2-OG 3.5Å; P123-S126 WeakPolarHBondContact O-CB 3.3Å; P123-S126 PolarHBondContact O-N 3.47Å; P123-S126 PolarHBondContact O-OG 2.94Å; S126-L151 WeakPolarHBondContact OG-CD2 3.23Å; S126-H152 PolarHBondContact O-N 3.28Å; S126-H152 VanDerWaalsContact O-N 3.14Å; S126-D194 VanDerWaalsContact CA-OD2 3.29Å; S126-D194 WeakPolarHBondContact CA-OD2 3.44Å
127V96.6Very high94.3Very high30 Ų3033.5 Ų33.518%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-98118.5170.3-178.50000109H152 Y154 V193 D194 L195V127-H152 CarbonylContact C-O 3.58Å; V127-H152 WeakPolarHBondContact CA-O 3.3Å; V127-H152 HydrophobicContact CG2-CB 4.42Å; V127-Y154 HydrophobicContact CG1-CD2 3.69Å; V127-Y154 HydrophobicContact CG1-CE2 3.57Å; V127-V193 HydrophobicContact CG1-CG2 4.14Å; V127-D194 PolarHBondContact N-OD2 2.86Å; V127-D194 PolarHBondContact O-N 2.83Å; V127-L195 PolarHBondContact O-N 3.47Å
128I97.2Very high94.3Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-113130.9-172.9-52.3178.8000109.9I122 L130 L141 L151 H152 C153 Y154 L195 V197I122-I128 HydrophobicContact CG2-CD1 4.07Å; I128-L130 HydrophobicContact CG2-CD2 3.57Å; I128-L130 HydrophobicContact CG2-CG 4.34Å; I128-L141 HydrophobicContact CD1-CD2 3.85Å; I128-L151 HydrophobicContact CD1-CD2 4.27Å; I128-H152 PolarHBondContact N-O 3.34Å; I128-C153 CarbonylContact O-C 3.47Å; I128-C153 VanDerWaalsContact O-CA 3.28Å; I128-C153 WeakPolarHBondContact O-CA 3.45Å; I128-Y154 PolarHBondContact O-N 2.93Å; I128-L195 WeakPolarHBondContact CA-O 3.47Å; I128-L195 HydrophobicContact CG1-CD1 4.37Å; I128-L195 HydrophobicContact CG1-CD2 4.22Å; I128-L195 HydrophobicContact CG1-CG 4.15Å; I128-L195 HydrophobicContact CG2-CD1 4.32Å; I128-L195 HydrophobicContact CG2-CG 4.44Å; I128-V197 HydrophobicContact CG2-CB 4.01Å; I128-V197 HydrophobicContact CG2-CG2 3.48Å; I128-V197 VanDerWaalsContact CG2-CG2 3.48Å
129F97.4Very high94.3Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-94.1129.1168.7-132.6-48.1000110.7T156 V181 L186 L189 M190 V193 L195 V196 V197 M218F129-T156 HydrophobicContact CD1-CG2 4.28Å; F129-T156 HydrophobicContact CE1-CG2 3.66Å; F129-V181 HydrophobicContact CE1-CG2 3.71Å; F129-V181 HydrophobicContact CZ-CG2 3.82Å; F129-L186 HydrophobicContact CD1-CD2 4.39Å; F129-L186 HydrophobicContact CE1-CD2 3.8Å; F129-L186 HydrophobicContact CE2-CD2 4.18Å; F129-L186 HydrophobicContact CZ-CD2 3.7Å; F129-L189 HydrophobicContact CE2-CB 3.77Å; F129-L189 HydrophobicContact CZ-CB 4.23Å; F129-L189 HydrophobicContact CZ-CD1 4.23Å; F129-M190 HydrophobicContact CD2-CE 4.13Å; F129-M190 HydrophobicContact CD2-SD 4.49Å; F129-V193 HydrophobicContact CB-CG1 3.9Å; F129-V193 HydrophobicContact CB-CG2 4.2Å; F129-V193 HydrophobicContact CD2-CB 4.35Å; F129-V193 HydrophobicContact CD2-CG1 4.42Å; F129-V193 HydrophobicContact CD2-CG2 3.42Å; F129-V193 VanDerWaalsContact CD2-CG2 3.42Å; F129-V193 HydrophobicContact CE2-CG2 4.15Å; F129-V193 HydrophobicContact CG-CG2 4.15Å; F129-L195 PolarHBondContact N-O 3.3Å; F129-V196 HydrophobicContact CB-CG2 3.88Å; F129-V196 WeakPolarHBondContact O-CA 3.3Å; F129-V197 PolarHBondContact O-N 3.04Å; F129-M218 HydrophobicContact CB-SD 4.43Å; F129-M218 HydrophobicContact CD1-CE 3.58Å; F129-M218 HydrophobicContact CD1-SD 4.36Å; F129-M218 HydrophobicContact CE1-CE 3.97Å; F129-M218 HydrophobicContact CG-CE 4.27Å
130L97.5Very high94.4Very high3 Ų331.9 Ų31.92%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-119.5142.7179.6-51.7-178.7000110.5I128 V137 L141 C153 Y154 V155 T156 M167 L171 V197I128-L130 HydrophobicContact CG2-CD2 3.57Å; I128-L130 HydrophobicContact CG2-CG 4.34Å; L130-V137 HydrophobicContact CD1-CG1 4.36Å; L130-V137 HydrophobicContact CD2-CG1 3.86Å; L130-L141 HydrophobicContact CD1-CD1 3.52Å; L130-L141 HydrophobicContact CD2-CD1 4.3Å; L130-C153 HydrophobicContact CD1-CB 3.89Å; L130-C153 HydrophobicContact CG-CB 4.39Å; L130-Y154 PolarHBondContact N-O 3.15Å; L130-V155 HydrophobicContact CB-CG2 4.36Å; L130-V155 HydrophobicContact CD1-CG2 4.2Å; L130-T156 PolarHBondContact O-N 3.2Å; L130-T156 VanDerWaalsContact O-N 3.13Å; L130-M167 HydrophobicContact CD1-CE 3.77Å; L130-L171 HydrophobicContact CD1-CD1 3.92Å; L130-V197 HydrophobicContact CD2-CB 3.73Å; L130-V197 HydrophobicContact CD2-CG1 4.45Å
131H96.2Very high94.6Very high7 Ų725.4 Ų25.43%0.03214%0.142CC..  trans-112.4129.3172.3-169.656.3000111.3T156 L198 M212 L213 S215 M218H131-T156 WeakPolarHBondContact CA-OG1 3.33Å; H131-T156 PolarHBondContact ND1-OG1 3.42Å; H131-L198 HydrophobicContact CB-CD2 3.58Å; H131-M212 PolarHBondContact NE2-O 2.7Å; H131-L213 PolarHBondContact CE1-O 3.04Å; H131-L213 PolarHBondContact NE2-O 3.15Å; H131-S215 PolarHBondContact CD2-N 2.69Å; H131-S215 PolarHBondContact NE2-N 3.42Å; H131-M218 HydrophobicContact CB-CE 3.58Å; H131-M218 HydrophobicContact CB-SD 3.78Å
132S91.9Very high94.7Very high3 Ų326.5 Ų26.52%0.02115%0.15CC..SBendtrans59.8-162.1176.4-161.50000114.4C158 L163S132-C158 PolarHBondContact OG-SG 3.3Å; S132-L163 WeakPolarHBondContact OG-CB 3.48Å
133Y93.9Very high94.8Very high46 Ų4630.2 Ų30.218%0.1816%0.164CC..  trans-103.6118.8174.8176-101.3000110.6R135 L138 K166 M167Y133-R135 HydrophobicContact CE1-CG 3.83Å; Y133-L138 HydrophobicContact CE2-CD2 4.13Å; Y133-K166 HydrophobicContact CD1-CD 4.16Å; Y133-K166 HydrophobicContact CD2-CB 4.38Å; Y133-K166 HydrophobicContact CD2-CD 4.17Å; Y133-K166 HydrophobicContact CD2-CG 3.99Å; Y133-K166 HydrophobicContact CE1-CD 4.3Å; Y133-K166 HydrophobicContact CE2-CD 4.32Å; Y133-K166 HydrophobicContact CE2-CG 4.16Å; Y133-K166 HydrophobicContact CG-CD 4.09Å; Y133-K166 HydrophobicContact CG-CG 4.34Å; Y133-M167 HydrophobicContact CD2-CB 4Å; Y133-M167 HydrophobicContact CD2-SD 3.95Å; Y133-M167 HydrophobicContact CE2-SD 4.41Å
134S94.1Very high94.9Very high17 Ų1726.5 Ų26.512%0.11914%0.14CC..  trans-125.3125173.4169.20000111.1V136 V137 L138S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 3.22Å; S134-V137 PolarHBondContact O-N 2.86Å; S134-V137 WeakPolarHBondContact OG-CG2 3.4Å; S134-V137 PolarHBondContact OG-N 3.31Å; S134-L138 WeakPolarHBondContact O-CB 3.42Å; S134-L138 PolarHBondContact O-N 3.37Å
135R92.4Very high94.9Very high68 Ų6822.8 Ų22.826%0.25712%0.124SC..Hα-helixtrans-62.6-37.1178.7-61.8177.9-177.2102.8-10.2112P20 E24 Y133 A139P20-R135 PolarHBondContact O-NE 2.98Å; E24-R135 IonicContact OE1-CZ 3.29Å; E24-R135 IonicContact OE1-NH1 3.48Å; E24-R135 IonicContact OE1-NH2 3.63Å; E24-R135 PolarHBondContact OE1-NH2 3.14Å; Y133-R135 HydrophobicContact CE1-CG 3.83Å; R135-A139 PolarHBondContact O-N 3.12Å
136V94.4Very high94.9Very high2 Ų224.4 Ų24.41%0.01213%0.129CC..Hα-helixtrans-72.2-44.3179.2-177.90000110.7I114 S134 L138 A139 A140 L232 E234I114-V136 HydrophobicContact CB-CG1 4.25Å; I114-V136 HydrophobicContact CD1-CG1 4.05Å; I114-V136 HydrophobicContact CG2-CG1 3.64Å; S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 3.22Å; V136-L138 VanDerWaalsContact C-N 3.34Å; V136-L138 PolarHBondContact O-N 2.61Å; V136-A139 PolarHBondContact O-N 3.38Å; V136-A140 WeakPolarHBondContact O-CB 3.47Å; V136-A140 PolarHBondContact O-N 2.95Å; V136-L232 HydrophobicContact CG1-CB 3.79Å; V136-E234 HydrophobicContact CG2-CG 4.13Å; V136-E234 WeakPolarHBondContact CG2-OE1 3.17Å; V136-E234 VanDerWaalsContact CG2-OE2 3.24Å; V136-E234 WeakPolarHBondContact CG2-OE2 3.45Å
137V96.4Very high94.7Very high4 Ų427.1 Ų27.12%0.02415%0.145CC..Hα-helixtrans-62.7-43.2177.7176.30000110.7L130 S134 A139 A140 L141 M167 V197 L232L130-V137 HydrophobicContact CD1-CG1 4.36Å; L130-V137 HydrophobicContact CD2-CG1 3.86Å; S134-V137 PolarHBondContact O-N 2.86Å; S134-V137 WeakPolarHBondContact OG-CG2 3.4Å; S134-V137 PolarHBondContact OG-N 3.31Å; V137-A139 PolarHBondContact O-N 3.24Å; V137-A140 PolarHBondContact O-N 3.42Å; V137-L141 HydrophobicContact CG1-CD1 3.8Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.29Å; V137-L141 VanDerWaalsContact O-CG 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.07Å; V137-M167 HydrophobicContact CB-CE 4.36Å; V137-M167 HydrophobicContact CG1-CE 3.86Å; V137-V197 HydrophobicContact CG1-CG1 4.1Å; V137-V197 HydrophobicContact CG2-CG1 4Å; V137-L232 HydrophobicContact CG2-CB 4.27Å; V137-L232 HydrophobicContact CG2-CD1 4.09Å; V137-L232 HydrophobicContact CG2-CG 4.29Å
138L95.5Very high94.2Very high26 Ų2633.5 Ų33.514%0.13617%0.173CC..Hα-helixtrans-57.5-49.8175.1-179.564.1000111.7Y133 S134 V136 A140 L141 E142 M167 A170 L171 L174Y133-L138 HydrophobicContact CE2-CD2 4.13Å; S134-L138 WeakPolarHBondContact O-CB 3.42Å; S134-L138 PolarHBondContact O-N 3.37Å; V136-L138 VanDerWaalsContact C-N 3.34Å; V136-L138 PolarHBondContact O-N 2.61Å; L138-A140 VanDerWaalsContact C-N 3.31Å; L138-A140 PolarHBondContact O-N 3.44Å; L138-L141 PolarHBondContact O-N 3.33Å; L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.45Å; L138-E142 PolarHBondContact O-N 3.37Å; L138-M167 HydrophobicContact CB-CE 4.18Å; L138-M167 HydrophobicContact CB-SD 4.2Å; L138-M167 HydrophobicContact CD1-CE 4.43Å; L138-M167 HydrophobicContact CD1-SD 4.31Å; L138-A170 HydrophobicContact CD1-CB 3.72Å; L138-A170 HydrophobicContact CD2-CB 3.77Å; L138-A170 HydrophobicContact CG-CB 4.42Å; L138-L171 HydrophobicContact CD1-CD2 4Å; L138-L171 HydrophobicContact CD1-CG 4.42Å; L138-L174 HydrophobicContact CD1-CD1 3.72Å; L138-L174 HydrophobicContact CG-CD1 4.47Å
139A94.7Very high93.7Very high19 Ų1936 Ų3616%0.15718%0.184CC..Hα-helixtrans-65.7-33.9179.500000112.9R111 R135 V136 V137 Y143R111-A139 HydrophobicContact CG-CB 3.7Å; R135-A139 PolarHBondContact O-N 3.12Å; V136-A139 PolarHBondContact O-N 3.38Å; V137-A139 PolarHBondContact O-N 3.24Å; A139-Y143 WeakPolarHBondContact O-CB 3.26Å; A139-Y143 PolarHBondContact O-N 3.37Å
140A95.9Very high93.4Very high1 Ų145 Ų451%0.00822%0.218CC..Hα-helixtrans-71.2-3917800000111.8A115 F118 V136 V137 L138 Y143 A144 L232A115-A140 HydrophobicContact CB-CB 4.22Å; F118-A140 HydrophobicContact CD1-CB 3.6Å; F118-A140 HydrophobicContact CE1-CB 4.26Å; F118-A140 HydrophobicContact CG-CB 4.44Å; V136-A140 WeakPolarHBondContact O-CB 3.47Å; V136-A140 PolarHBondContact O-N 2.95Å; V137-A140 PolarHBondContact O-N 3.42Å; L138-A140 VanDerWaalsContact C-N 3.31Å; L138-A140 PolarHBondContact O-N 3.44Å; A140-Y143 PolarHBondContact O-N 3.1Å; A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 3.46Å; A140-L232 HydrophobicContact CB-CD1 3.56Å
141L95.7Very high93.2Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-70.6-37.3173.5-68.6171.6000112.3F118 I128 L130 V137 L138 Y143 A144 A145 L151 M167 L171F118-L141 HydrophobicContact CE1-CD2 4.41Å; I128-L141 HydrophobicContact CD1-CD2 3.85Å; L130-L141 HydrophobicContact CD1-CD1 3.52Å; L130-L141 HydrophobicContact CD2-CD1 4.3Å; V137-L141 HydrophobicContact CG1-CD1 3.8Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.29Å; V137-L141 VanDerWaalsContact O-CG 3.3Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.07Å; L138-L141 PolarHBondContact O-N 3.33Å; L141-Y143 VanDerWaalsContact C-N 3.35Å; L141-A144 PolarHBondContact O-N 3.33Å; L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 2.87Å; L141-L151 HydrophobicContact CD2-CD1 4.17Å; L141-M167 HydrophobicContact CD1-CE 4.04Å; L141-L171 HydrophobicContact CB-CD2 4.19Å; L141-L171 HydrophobicContact CD1-CD2 3.84Å
142E94.6Very high93.2Very high99 Ų9947.1 Ų47.146%0.46323%0.228SC..Hα-helixtrans-57.8-48.4171.5-179175.6-157.700111L138 A144 A145 S146 L174L138-E142 VanDerWaalsContact O-CB 3.32Å; L138-E142 WeakPolarHBondContact O-CB 3.45Å; L138-E142 PolarHBondContact O-N 3.37Å; E142-A144 PolarHBondContact O-N 3.39Å; E142-A145 PolarHBondContact O-N 3.26Å; E142-S146 PolarHBondContact O-N 3.11Å; E142-L174 HydrophobicContact CB-CD1 3.7Å; E142-L174 HydrophobicContact CG-CD1 4Å; E142-L174 HydrophobicContact CG-CD2 3.92Å
143Y94.6Very high93.4Very high82 Ų8247 Ų4732%0.32223%0.227SC..Hα-helixtrans-61.7-45.2176.7-169.4-106.4000111.3A115 E116 L119 A139 A140 L141 A145 S146 T147A115-Y143 HydrophobicContact CB-CD1 4.12Å; A115-Y143 HydrophobicContact CB-CG 4.01Å; E116-Y143 HydrophobicContact CG-CE1 4.01Å; L119-Y143 HydrophobicContact CB-CE1 4.48Å; L119-Y143 HydrophobicContact CD2-CD1 4.42Å; L119-Y143 HydrophobicContact CD2-CE1 3.89Å; A139-Y143 WeakPolarHBondContact O-CB 3.26Å; A139-Y143 PolarHBondContact O-N 3.37Å; A140-Y143 PolarHBondContact O-N 3.1Å; L141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-A145 VanDerWaalsContact C-N 3.35Å; Y143-A145 PolarHBondContact O-N 3.31Å; Y143-S146 WeakPolarHBondContact O-CB 3.27Å; Y143-S146 PolarHBondContact O-N 3.33Å; Y143-S146 PolarHBondContact O-OG 3.14Å; Y143-T147 PolarHBondContact O-N 3.23Å
144A94Very high93.5Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-61.2-40.2176.300000113L119 I122 A140 L141 E142 S146 T147 L151L119-A144 HydrophobicContact CD1-CB 4.14Å; I122-A144 HydrophobicContact CD1-CB 3.95Å; A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 3.46Å; L141-A144 PolarHBondContact O-N 3.33Å; E142-A144 PolarHBondContact O-N 3.39Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 3.21Å; A144-T147 PolarHBondContact O-N 3.42Å; A144-T147 PolarHBondContact O-OG1 3.43Å; A144-L151 HydrophobicContact CB-CD1 3.85Å
145A92.2Very high93.6Very high26 Ų2645.5 Ų45.522%0.21522%0.219CC..Hα-helixtrans-64.3-38175.400000112.1L141 E142 Y143 T147 Q148 V176L141-A145 WeakPolarHBondContact O-CB 3.33Å; L141-A145 PolarHBondContact O-N 2.87Å; E142-A145 PolarHBondContact O-N 3.26Å; Y143-A145 VanDerWaalsContact C-N 3.35Å; Y143-A145 PolarHBondContact O-N 3.31Å; A145-T147 PolarHBondContact O-N 2.74Å; A145-Q148 PolarHBondContact O-N 2.93Å; A145-V176 HydrophobicContact CB-CG2 3.71Å
146S92.8Very high93.8Very high78 Ų7842.2 Ų42.255%0.54521%0.206SC..Hα-helixtrans-61.2-28.1175.880.80000113E142 Y143 A144 Q148E142-S146 PolarHBondContact O-N 3.11Å; Y143-S146 WeakPolarHBondContact O-CB 3.27Å; Y143-S146 PolarHBondContact O-N 3.33Å; Y143-S146 PolarHBondContact O-OG 3.14Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 3.21Å; S146-Q148 PolarHBondContact O-N 3.48Å
147T91.3Very high93.6Very high59 Ų5944.4 Ų44.436%0.36222%0.22SC..THydrogen-bonded Turntrans-83.914.6175.2670000114.5L119 Y143 A144 A145 K149L119-T147 HydrophobicContact CD1-CG2 4.26Å; L119-T147 WeakPolarHBondContact CD1-OG1 3.46Å; L119-T147 HydrophobicContact CD2-CG2 3.95Å; Y143-T147 PolarHBondContact O-N 3.23Å; A144-T147 PolarHBondContact O-N 3.42Å; A144-T147 PolarHBondContact O-OG1 3.43Å; A145-T147 PolarHBondContact O-N 2.74Å; T147-K149 VanDerWaalsContact C-N 3.27Å; T147-K149 PolarHBondContact O-N 3.17Å
148Q84.8Confident93.3Very high164 Ų16444.3 Ų44.377%0.76622%0.219SC*.THydrogen-bonded Turntrans63.523.6177.9-57.2-65.3-44.900114.9A145 S146A145-Q148 PolarHBondContact O-N 2.93Å; S146-Q148 PolarHBondContact O-N 3.48Å
149K86.6Confident92.7Very high52 Ų5244.9 Ų44.923%0.22623%0.227CC..  trans-74.1131.2169.5-67.1-171.4179.5-171.90109.9L119 I122 N124 T147 L151L119-K149 HydrophobicContact CD1-CD 4.03Å; L119-K149 PolarHBondContact O-NZ 3.34Å; I122-K149 PolarHBondContact O-NZ 3.19Å; N124-K149 WeakPolarHBondContact OD1-CA 3.31Å; T147-K149 VanDerWaalsContact C-N 3.27Å; T147-K149 PolarHBondContact O-N 3.17Å; K149-L151 HydrophobicContact CB-CD2 4.21Å; K149-L151 HydrophobicContact CB-CG 4.23Å
150R91.2Very high91.9Very high189 Ų18945.7 Ų45.771%0.71323%0.231SC*.  trans-80.7121169.7-62.7-168.2-60-163.71.7108.3N124 G125N124-R150 PolarHBondContact OD1-N 3.4Å; G125-R150 WeakPolarHBondContact CA-O 3.38Å; G125-R150 PolarHBondContact N-O 3.03Å
151L93.7Very high91.3Very high14 Ų1448.3 Ų48.37%0.07325%0.25CC..  trans-130.9143-177.5-56174.2000109.1I122 S126 I128 L141 A144 K149 V176I122-L151 HydrophobicContact CG2-CD2 3.45Å; I122-L151 VanDerWaalsContact CG2-CD2 3.45Å; S126-L151 WeakPolarHBondContact OG-CD2 3.23Å; I128-L151 HydrophobicContact CD1-CD2 4.27Å; L141-L151 HydrophobicContact CD2-CD1 4.17Å; A144-L151 HydrophobicContact CB-CD1 3.85Å; K149-L151 HydrophobicContact CB-CD2 4.21Å; K149-L151 HydrophobicContact CB-CG 4.23Å; L151-V176 HydrophobicContact CB-CG1 4.34Å
152H95.7Very high90.8Very high41 Ų4150.2 Ų50.219%0.1927%0.269CS..EExtended strand (participates in β ladder)trans-120.1129.7165.9-174.467.3000109.4S126 V127 I128 Y154 S177 T179S126-H152 PolarHBondContact O-N 3.28Å; S126-H152 VanDerWaalsContact O-N 3.14Å; V127-H152 CarbonylContact C-O 3.58Å; V127-H152 WeakPolarHBondContact CA-O 3.3Å; V127-H152 HydrophobicContact CG2-CB 4.42Å; I128-H152 PolarHBondContact N-O 3.34Å; H152-Y154 AromaticContact CD2-CE2 3.93Å; H152-Y154 AromaticContact CD2-CZ 3.92Å; H152-Y154 AromaticContact NE2-CE1 3.61Å; H152-Y154 AromaticContact NE2-CZ 3.66Å; H152-S177 CarbonylContact C-O 3.55Å; H152-S177 WeakPolarHBondContact CA-O 3.31Å; H152-S177 PolarHBondContact ND1-OG 3.45Å; H152-T179 PolarHBondContact CE1-OG1 2.98Å; H152-T179 PolarHBondContact NE2-OG1 3.36Å
153C96.5Very high90.6Very high0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-116.5118.7-177.1-63.20000111.4I128 L130 L171 S177 C178 T179I128-C153 CarbonylContact O-C 3.47Å; I128-C153 VanDerWaalsContact O-CA 3.28Å; I128-C153 WeakPolarHBondContact O-CA 3.45Å; L130-C153 HydrophobicContact CD1-CB 3.89Å; L130-C153 HydrophobicContact CG-CB 4.39Å; C153-L171 HydrophobicContact CB-CD1 3.96Å; C153-S177 PolarHBondContact N-O 3.48Å; C153-C178 HydrophobicContact CB-CB 4.34Å; C153-C178 CarbonylContact O-C 3.44Å; C153-C178 WeakPolarHBondContact O-CA 3.34Å; C153-T179 PolarHBondContact O-N 3.14Å
154Y96.8Very high90.5Very high31 Ų3144.1 Ų44.112%0.12225%0.245CC..EExtended strand (participates in β ladder)trans-83.3128.6162.7-70.5-65.9000109.1V127 I128 L130 H152 T179 V181 L189 Q192 V193V127-Y154 HydrophobicContact CG1-CD2 3.69Å; V127-Y154 HydrophobicContact CG1-CE2 3.57Å; I128-Y154 PolarHBondContact O-N 2.93Å; L130-Y154 PolarHBondContact N-O 3.15Å; H152-Y154 AromaticContact CD2-CE2 3.93Å; H152-Y154 AromaticContact CD2-CZ 3.92Å; H152-Y154 AromaticContact NE2-CE1 3.61Å; H152-Y154 AromaticContact NE2-CZ 3.66Å; Y154-T179 WeakPolarHBondContact CA-O 3.47Å; Y154-T179 HydrophobicContact CD1-CG2 4.21Å; Y154-T179 HydrophobicContact CE1-CG2 4.15Å; Y154-V181 HydrophobicContact CD1-CG1 3.68Å; Y154-V181 HydrophobicContact CE1-CG1 4.35Å; Y154-L189 HydrophobicContact CD1-CD1 4.19Å; Y154-L189 HydrophobicContact CE1-CD1 4.37Å; Y154-Q192 PolarHBondContact OH-OE1 3.34Å; Y154-V193 HydrophobicContact CD2-CG2 3.94Å; Y154-V193 HydrophobicContact CE2-CG2 4.44Å
155V96.5Very high90.4Very high0 Ų046 Ų460%026%0.261CS..EExtended strand (participates in β ladder)trans-121.1123.9-178.5-176.20000108.7L130 M167 L171 T179 L180 V181L130-V155 HydrophobicContact CB-CG2 4.36Å; L130-V155 HydrophobicContact CD1-CG2 4.2Å; V155-M167 HydrophobicContact CG1-CB 3.96Å; V155-M167 HydrophobicContact CG1-CG 4.12Å; V155-M167 HydrophobicContact CG2-CG 4.39Å; V155-L171 HydrophobicContact CG2-CD1 4.01Å; V155-T179 PolarHBondContact N-O 3Å; V155-L180 HydrophobicContact CB-CD1 4.49Å; V155-L180 HydrophobicContact CG1-CD1 4.4Å; V155-L180 CarbonylContact O-C 3.53Å; V155-L180 WeakPolarHBondContact O-CA 3.22Å; V155-V181 PolarHBondContact O-N 3.28Å
156T95.5Very high90.5Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-72.8146.917662.80000111.8F129 L130 H131 C158 G164 V181 D183 L186 M218F129-T156 HydrophobicContact CD1-CG2 4.28Å; F129-T156 HydrophobicContact CE1-CG2 3.66Å; L130-T156 PolarHBondContact O-N 3.2Å; L130-T156 VanDerWaalsContact O-N 3.13Å; H131-T156 WeakPolarHBondContact CA-OG1 3.33Å; H131-T156 PolarHBondContact ND1-OG1 3.42Å; T156-C158 PolarHBondContact O-N 2.94Å; T156-G164 WeakPolarHBondContact O-CA 3.05Å; T156-V181 CarbonylContact C-O 3.57Å; T156-V181 VanDerWaalsContact CA-O 3.28Å; T156-V181 WeakPolarHBondContact CA-O 3.34Å; T156-D183 VanDerWaalsContact CB-OD1 3.29Å; T156-D183 WeakPolarHBondContact CB-OD1 3.24Å; T156-L186 HydrophobicContact CG2-CD2 3.71Å; T156-M218 HydrophobicContact CG2-CE 3.29Å
157T91.4Very high90.7Very high47 Ų4746.2 Ų46.229%0.28825%0.247SC..  trans-54.4-36.3174.241.90000114G162 G164 L180 V181 D183T157-G162 CarbonylContact O-C 3.53Å; T157-G162 WeakPolarHBondContact O-CA 3.13Å; T157-G164 PolarHBondContact O-N 3.41Å; T157-G164 VanDerWaalsContact O-N 3.13Å; T157-L180 HydrophobicContact CG2-CD1 4.19Å; T157-L180 HydrophobicContact CG2-CD2 4.24Å; T157-L180 HydrophobicContact CG2-CG 4.07Å; T157-V181 PolarHBondContact N-O 3.19Å; T157-D183 PolarHBondContact N-OD1 3.24Å; T157-D183 VanDerWaalsContact N-OD1 3.11Å; T157-D183 PolarHBondContact OG1-N 3.14Å; T157-D183 PolarHBondContact OG1-OD1 2.92Å
158C89.6Confident90.9Very high3 Ų344.5 Ų44.52%0.0224%0.236CC..  trans58.764.6-174.8-1700000112.2S132 T156 S161 G162 D183S132-C158 PolarHBondContact OG-SG 3.3Å; T156-C158 PolarHBondContact O-N 2.94Å; C158-S161 CarbonylContact O-C 3.57Å; C158-S161 WeakPolarHBondContact O-CA 3.49Å; C158-S161 PolarHBondContact O-N 3.42Å; C158-S161 PolarHBondContact O-OG 2.99Å; C158-S161 PolarHBondContact SG-OG 3.49Å; C158-G162 PolarHBondContact O-N 3.36Å; C158-D183 WeakPolarHBondContact CA-OD2 3.09Å; C158-D183 PolarHBondContact N-OD1 3.42Å; C158-D183 PolarHBondContact N-OD2 2.92Å
159A83.4Confident91.4Very high37 Ų3743.9 Ų43.931%0.30623%0.231SC..THydrogen-bonded Turntrans-69.9138.2169.900000110D183A159-D183 PolarHBondContact N-OD2 2.92Å
160P77.8Confident91.8Very high37 Ų3742.4 Ų42.424%0.2423%0.228CC..THydrogen-bonded Turncis-86.9-13.97.332.7-34.5000115G162 R302 E307P160-G162 VanDerWaalsContact C-N 3.28Å; P160-G162 PolarHBondContact O-N 2.91Å; P160-R302 VanDerWaalsContact CA-NH2 3.31Å; P160-R302 PolarHBondContact O-NH2 3.02Å; P160-E307 HydrophobicContact CB-CB 3.71Å; P160-E307 HydrophobicContact CB-CG 3.8Å; P160-E307 HydrophobicContact CG-CB 4.36Å
161S82.2Confident92Very high56 Ų5633.4 Ų33.439%0.39219%0.194SC..THydrogen-bonded Turntrans-61-27.7-170.478.50000115.5C158 L163C158-S161 CarbonylContact O-C 3.57Å; C158-S161 WeakPolarHBondContact O-CA 3.49Å; C158-S161 PolarHBondContact O-N 3.42Å; C158-S161 PolarHBondContact O-OG 2.99Å; C158-S161 PolarHBondContact SG-OG 3.49Å; S161-L163 PolarHBondContact O-N 3.3Å; S161-L163 VanDerWaalsContact O-N 3.12Å; S161-L163 WeakPolarHBondContact OG-CG 3.18Å; S161-L163 PolarHBondContact OG-N 2.85Å
162G85Confident92.1Very high39 Ų3935.5 Ų35.540%0.40221%0.214SC..THydrogen-bonded Turntrans63.113.7-175.900000114.2T157 C158 P160 G164 A165T157-G162 CarbonylContact O-C 3.53Å; T157-G162 WeakPolarHBondContact O-CA 3.13Å; C158-G162 PolarHBondContact O-N 3.36Å; P160-G162 VanDerWaalsContact C-N 3.28Å; P160-G162 PolarHBondContact O-N 2.91Å; G162-G164 PolarHBondContact O-N 2.98Å; G162-A165 PolarHBondContact O-N 3.49Å
163L90.2Very high92Very high53 Ų5342.1 Ų42.128%0.27724%0.242SC..Hα-helixtrans-66.6-20.4-173.8-72.1175.1000113.2S132 S161 A165 K166 M167 M212S132-L163 WeakPolarHBondContact OG-CB 3.48Å; S161-L163 PolarHBondContact O-N 3.3Å; S161-L163 VanDerWaalsContact O-N 3.12Å; S161-L163 WeakPolarHBondContact OG-CG 3.18Å; S161-L163 PolarHBondContact OG-N 2.85Å; L163-A165 VanDerWaalsContact C-N 3.29Å; L163-A165 PolarHBondContact O-N 3.32Å; L163-K166 WeakPolarHBondContact O-CB 3.41Å; L163-K166 PolarHBondContact O-N 3.29Å; L163-M167 PolarHBondContact O-N 2.85Å; L163-M212 HydrophobicContact CD1-SD 4.14Å
164G92.5Very high91.8Very high0 Ų044.7 Ų44.70%026%0.255CS..Hα-helixtrans-54.7-43.4176.200000113.1T156 T157 G162 K166 M167 T168T156-G164 WeakPolarHBondContact O-CA 3.05Å; T157-G164 PolarHBondContact O-N 3.41Å; T157-G164 VanDerWaalsContact O-N 3.13Å; G162-G164 PolarHBondContact O-N 2.98Å; G164-K166 PolarHBondContact O-N 2.95Å; G164-M167 WeakPolarHBondContact O-CB 3.06Å; G164-M167 PolarHBondContact O-N 2.79Å; G164-T168 PolarHBondContact O-N 3.15Å; G164-T168 PolarHBondContact O-OG1 3.36Å; G164-T168 VanDerWaalsContact O-OG1 3.1Å
165A93.3Very high91.6Very high41 Ų4152.6 Ų52.634%0.33929%0.291SS..Hα-helixtrans-61.6-33.3179.100000112.5G162 L163 K169 L180G162-A165 PolarHBondContact O-N 3.49Å; L163-A165 VanDerWaalsContact C-N 3.29Å; L163-A165 PolarHBondContact O-N 3.32Å; A165-K169 WeakPolarHBondContact O-CB 3.4Å; A165-K169 VanDerWaalsContact O-CG 3.27Å; A165-K169 WeakPolarHBondContact O-CG 3.39Å; A165-K169 PolarHBondContact O-N 3.17Å; A165-L180 HydrophobicContact CB-CD2 4.38Å
166K94.2Very high91.4Very high107 Ų10753.1 Ų53.147%0.46529%0.294SS..Hα-helixtrans-67-41.8174.6-175.2-178.9177.9179.90111.1Y133 L163 G164 K169 A170Y133-K166 HydrophobicContact CD1-CD 4.16Å; Y133-K166 HydrophobicContact CD2-CB 4.38Å; Y133-K166 HydrophobicContact CD2-CD 4.17Å; Y133-K166 HydrophobicContact CD2-CG 3.99Å; Y133-K166 HydrophobicContact CE1-CD 4.3Å; Y133-K166 HydrophobicContact CE2-CD 4.32Å; Y133-K166 HydrophobicContact CE2-CG 4.16Å; Y133-K166 HydrophobicContact CG-CD 4.09Å; Y133-K166 HydrophobicContact CG-CG 4.34Å; L163-K166 WeakPolarHBondContact O-CB 3.41Å; L163-K166 PolarHBondContact O-N 3.29Å; G164-K166 PolarHBondContact O-N 2.95Å; K166-K169 PolarHBondContact O-N 2.86Å; K166-A170 WeakPolarHBondContact O-CB 3.35Å; K166-A170 PolarHBondContact O-N 2.77Å
167M95.5Very high91.4Very high1 Ų156.3 Ų56.31%0.00532%0.316CS..Hα-helixtrans-64.9-47.1176.9-173.962176.200111.8L130 Y133 V137 L138 L141 V155 L163 G164 K169 A170 L171L130-M167 HydrophobicContact CD1-CE 3.77Å; Y133-M167 HydrophobicContact CD2-CB 4Å; Y133-M167 HydrophobicContact CD2-SD 3.95Å; Y133-M167 HydrophobicContact CE2-SD 4.41Å; V137-M167 HydrophobicContact CB-CE 4.36Å; V137-M167 HydrophobicContact CG1-CE 3.86Å; L138-M167 HydrophobicContact CB-CE 4.18Å; L138-M167 HydrophobicContact CB-SD 4.2Å; L138-M167 HydrophobicContact CD1-CE 4.43Å; L138-M167 HydrophobicContact CD1-SD 4.31Å; L141-M167 HydrophobicContact CD1-CE 4.04Å; V155-M167 HydrophobicContact CG1-CB 3.96Å; V155-M167 HydrophobicContact CG1-CG 4.12Å; V155-M167 HydrophobicContact CG2-CG 4.39Å; L163-M167 PolarHBondContact O-N 2.85Å; G164-M167 WeakPolarHBondContact O-CB 3.06Å; G164-M167 PolarHBondContact O-N 2.79Å; M167-K169 VanDerWaalsContact C-N 3.34Å; M167-K169 PolarHBondContact O-N 2.98Å; M167-A170 WeakPolarHBondContact O-CB 3.4Å; M167-A170 PolarHBondContact O-N 2.97Å; M167-A170 VanDerWaalsContact O-N 3.1Å; M167-L171 HydrophobicContact CE-CD1 4.12Å; M167-L171 HydrophobicContact CE-CD2 4.22Å; M167-L171 HydrophobicContact CE-CG 4.19Å; M167-L171 HydrophobicContact CG-CD1 4.23Å; M167-L171 WeakPolarHBondContact O-CG 3.04Å; M167-L171 PolarHBondContact O-N 3.4Å
168T95.5Very high91.6Very high23 Ų2355.4 Ų55.414%0.14131%0.311CS..Hα-helixtrans-58.7-44.6176.1-50.70000111.4G164 A170 L171 A172 C178 L180G164-T168 PolarHBondContact O-N 3.15Å; G164-T168 PolarHBondContact O-OG1 3.36Å; G164-T168 VanDerWaalsContact O-OG1 3.1Å; T168-A170 VanDerWaalsContact C-N 3.31Å; T168-A170 PolarHBondContact O-N 3.1Å; T168-L171 PolarHBondContact O-N 3.49Å; T168-A172 WeakPolarHBondContact O-CB 3.48Å; T168-A172 PolarHBondContact O-N 2.69Å; T168-C178 HydrophobicContact CG2-CB 4.35Å; T168-C178 VanDerWaalsContact CG2-SG 3.53Å; T168-L180 HydrophobicContact CG2-CB 4.3Å
169K96.1Very high91.8Very high151 Ų15158 Ų5866%0.65733%0.327SS*.Hα-helixtrans-61.1-38.3175.1-75.7174.9-177.3178.80112.5A165 K166 M167 K173A165-K169 WeakPolarHBondContact O-CB 3.4Å; A165-K169 VanDerWaalsContact O-CG 3.27Å; A165-K169 WeakPolarHBondContact O-CG 3.39Å; A165-K169 PolarHBondContact O-N 3.17Å; K166-K169 PolarHBondContact O-N 2.86Å; M167-K169 VanDerWaalsContact C-N 3.34Å; M167-K169 PolarHBondContact O-N 2.98Å; K169-K173 WeakPolarHBondContact O-CG 3.47Å; K169-K173 PolarHBondContact O-N 3.23Å
170A95.4Very high92.4Very high20 Ų2059.8 Ų59.817%0.16533%0.331CS..Hα-helixtrans-69-43.9177.900000111.9L138 K166 M167 T168 K173 L174L138-A170 HydrophobicContact CD1-CB 3.72Å; L138-A170 HydrophobicContact CD2-CB 3.77Å; L138-A170 HydrophobicContact CG-CB 4.42Å; K166-A170 WeakPolarHBondContact O-CB 3.35Å; K166-A170 PolarHBondContact O-N 2.77Å; M167-A170 WeakPolarHBondContact O-CB 3.4Å; M167-A170 PolarHBondContact O-N 2.97Å; M167-A170 VanDerWaalsContact O-N 3.1Å; T168-A170 VanDerWaalsContact C-N 3.31Å; T168-A170 PolarHBondContact O-N 3.1Å; A170-K173 PolarHBondContact O-N 3.49Å; A170-L174 PolarHBondContact O-N 3.12Å
171L95.5Very high93.1Very high0 Ų058.4 Ų58.40%032%0.322CS..Hα-helixtrans-64.5-40.1176.4-69.9174000112.6L130 L138 L141 C153 V155 M167 T168 K173 L174 K175 V176 C178L130-L171 HydrophobicContact CD1-CD1 3.92Å; L138-L171 HydrophobicContact CD1-CD2 4Å; L138-L171 HydrophobicContact CD1-CG 4.42Å; L141-L171 HydrophobicContact CB-CD2 4.19Å; L141-L171 HydrophobicContact CD1-CD2 3.84Å; C153-L171 HydrophobicContact CB-CD1 3.96Å; V155-L171 HydrophobicContact CG2-CD1 4.01Å; M167-L171 HydrophobicContact CE-CD1 4.12Å; M167-L171 HydrophobicContact CE-CD2 4.22Å; M167-L171 HydrophobicContact CE-CG 4.19Å; M167-L171 HydrophobicContact CG-CD1 4.23Å; M167-L171 WeakPolarHBondContact O-CG 3.04Å; M167-L171 PolarHBondContact O-N 3.4Å; T168-L171 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.18Å; L171-L174 CarbonylContact O-C 3.57Å; L171-L174 WeakPolarHBondContact O-CA 3.33Å; L171-L174 WeakPolarHBondContact O-CB 3.35Å; L171-L174 PolarHBondContact O-N 3.04Å; L171-K175 PolarHBondContact O-N 3.47Å; L171-V176 HydrophobicContact CB-CB 4.41Å; L171-V176 HydrophobicContact CD2-CB 4.35Å; L171-V176 HydrophobicContact CD2-CG1 4.41Å; L171-V176 PolarHBondContact O-N 3.33Å; L171-V176 VanDerWaalsContact O-N 3.16Å; L171-C178 HydrophobicContact CB-CB 4.08Å; L171-C178 HydrophobicContact CD1-CB 4.03Å
172A94.9Very high93.6Very high58 Ų5856.8 Ų56.848%0.47931%0.31SS..Hα-helixtrans-60.2-38.8176.600000112.2T168 L174 K175T168-A172 WeakPolarHBondContact O-CB 3.48Å; T168-A172 PolarHBondContact O-N 2.69Å; A172-L174 PolarHBondContact O-N 3.2Å; A172-K175 PolarHBondContact O-N 3.32Å; A172-K175 VanDerWaalsContact O-N 3.11Å
173K95.1Very high93.9Very high181 Ų18156.7 Ų56.779%0.78730%0.3SS*.Hα-helixtrans-63.2-31.9174.4-71.8175.2-178.8-175.80112.7K169 A170 L171 K175K169-K173 WeakPolarHBondContact O-CG 3.47Å; K169-K173 PolarHBondContact O-N 3.23Å; A170-K173 PolarHBondContact O-N 3.49Å; L171-K173 VanDerWaalsContact C-N 3.3Å; L171-K173 PolarHBondContact O-N 3.18Å; K173-K175 PolarHBondContact O-N 2.65Å
174L92.2Very high93.9Very high53 Ų5359.7 Ų59.728%0.27732%0.317SS..THydrogen-bonded Turntrans-83.53.5177.5-61.8175.2000113.2L138 E142 A170 L171 A172 V176L138-L174 HydrophobicContact CD1-CD1 3.72Å; L138-L174 HydrophobicContact CG-CD1 4.47Å; E142-L174 HydrophobicContact CB-CD1 3.7Å; E142-L174 HydrophobicContact CG-CD1 4Å; E142-L174 HydrophobicContact CG-CD2 3.92Å; A170-L174 PolarHBondContact O-N 3.12Å; L171-L174 CarbonylContact O-C 3.57Å; L171-L174 WeakPolarHBondContact O-CA 3.33Å; L171-L174 WeakPolarHBondContact O-CB 3.35Å; L171-L174 PolarHBondContact O-N 3.04Å; A172-L174 PolarHBondContact O-N 3.2Å; L174-V176 HydrophobicContact CB-CG2 4.21Å; L174-V176 PolarHBondContact O-N 3.05Å
175K91.9Very high93.9Very high198 Ų19860 Ų6086%0.86132%0.319SS*.THydrogen-bonded Turntrans59.525.3-176-53.1179.3-180178.20113.7L171 A172 K173L171-K175 PolarHBondContact O-N 3.47Å; A172-K175 PolarHBondContact O-N 3.32Å; A172-K175 VanDerWaalsContact O-N 3.11Å; K173-K175 PolarHBondContact O-N 2.65Å
176V92.9Very high94Very high11 Ų1158.4 Ų58.47%0.06730%0.304CS..  trans-85.4132.9170.8179.20000108.4A145 L151 L171 L174 C178A145-V176 HydrophobicContact CB-CG2 3.71Å; L151-V176 HydrophobicContact CB-CG1 4.34Å; L171-V176 HydrophobicContact CB-CB 4.41Å; L171-V176 HydrophobicContact CD2-CB 4.35Å; L171-V176 HydrophobicContact CD2-CG1 4.41Å; L171-V176 PolarHBondContact O-N 3.33Å; L171-V176 VanDerWaalsContact O-N 3.16Å; L174-V176 HydrophobicContact CB-CG2 4.21Å; L174-V176 PolarHBondContact O-N 3.05Å; V176-C178 PolarHBondContact O-N 3.07Å
177S94.5Very high94Very high66 Ų6655.8 Ų55.846%0.46230%0.303SS..EExtended strand (participates in β ladder)trans-67.1123.8178.1-174.90000109.6H152 C153H152-S177 CarbonylContact C-O 3.55Å; H152-S177 WeakPolarHBondContact CA-O 3.31Å; H152-S177 PolarHBondContact ND1-OG 3.45Å; C153-S177 PolarHBondContact N-O 3.48Å
178C95.2Very high94Very high29 Ų2963.5 Ų63.520%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-143.4143.6-177.161.70000112.6C153 T168 L171 V176C153-C178 HydrophobicContact CB-CB 4.34Å; C153-C178 CarbonylContact O-C 3.44Å; C153-C178 WeakPolarHBondContact O-CA 3.34Å; T168-C178 HydrophobicContact CG2-CB 4.35Å; T168-C178 VanDerWaalsContact CG2-SG 3.53Å; L171-C178 HydrophobicContact CB-CB 4.08Å; L171-C178 HydrophobicContact CD1-CB 4.03Å; V176-C178 PolarHBondContact O-N 3.07Å
179T95.2Very high94Very high58 Ų5863.3 Ų63.336%0.35633%0.331SS..EExtended strand (participates in β ladder)trans-127.1123.7177.4-55.70000108.8H152 C153 Y154 V155 V181H152-T179 PolarHBondContact CE1-OG1 2.98Å; H152-T179 PolarHBondContact NE2-OG1 3.36Å; C153-T179 PolarHBondContact O-N 3.14Å; Y154-T179 WeakPolarHBondContact CA-O 3.47Å; Y154-T179 HydrophobicContact CD1-CG2 4.21Å; Y154-T179 HydrophobicContact CE1-CG2 4.15Å; V155-T179 PolarHBondContact N-O 3Å; T179-V181 HydrophobicContact CG2-CG1 3.92Å
180L94.9Very high94Very high74 Ų7456.1 Ų56.139%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-78.9128.8172-175.271.4000108.7V155 T157 A165 T168V155-L180 HydrophobicContact CB-CD1 4.49Å; V155-L180 HydrophobicContact CG1-CD1 4.4Å; V155-L180 CarbonylContact O-C 3.53Å; V155-L180 WeakPolarHBondContact O-CA 3.22Å; T157-L180 HydrophobicContact CG2-CD1 4.19Å; T157-L180 HydrophobicContact CG2-CD2 4.24Å; T157-L180 HydrophobicContact CG2-CG 4.07Å; A165-L180 HydrophobicContact CB-CD2 4.38Å; T168-L180 HydrophobicContact CG2-CB 4.3Å
181V93.9Very high94Very high8 Ų858.2 Ų58.25%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-129.9147.9-175.8-57.30000110.9F129 Y154 V155 T156 T157 T179 S185 L189F129-V181 HydrophobicContact CE1-CG2 3.71Å; F129-V181 HydrophobicContact CZ-CG2 3.82Å; Y154-V181 HydrophobicContact CD1-CG1 3.68Å; Y154-V181 HydrophobicContact CE1-CG1 4.35Å; V155-V181 PolarHBondContact O-N 3.28Å; T156-V181 CarbonylContact C-O 3.57Å; T156-V181 VanDerWaalsContact CA-O 3.28Å; T156-V181 WeakPolarHBondContact CA-O 3.34Å; T157-V181 PolarHBondContact N-O 3.19Å; T179-V181 HydrophobicContact CG2-CG1 3.92Å; V181-S185 WeakPolarHBondContact CB-OG 3.4Å; V181-L189 HydrophobicContact CB-CD1 3.88Å; V181-L189 HydrophobicContact CG1-CD1 3.59Å; V181-L189 HydrophobicContact CG2-CD1 4.06Å
182P92.2Very high94Very high21 Ų2163.5 Ų63.514%0.13634%0.336CS..  trans-65.1150.9175.5-19.631.7000112.2N184 S185 W295P182-N184 WeakPolarHBondContact CB-OD1 3.34Å; P182-N184 PolarHBondContact O-N 3.36Å; P182-N184 VanDerWaalsContact O-N 3.16Å; P182-S185 WeakPolarHBondContact O-CB 3.32Å; P182-S185 PolarHBondContact O-N 2.86Å; P182-S185 PolarHBondContact O-OG 3.17Å; P182-W295 HydrophobicContact CB-CD2 4.44Å; P182-W295 HydrophobicContact CB-CH2 4.12Å; P182-W295 HydrophobicContact CB-CZ2 3.83Å; P182-W295 HydrophobicContact CB-CZ3 4.49Å; P182-W295 HydrophobicContact CG-CD2 4.06Å; P182-W295 VanDerWaalsContact CG-CE2 3.48Å; P182-W295 HydrophobicContact CG-CG 4.41Å; P182-W295 HydrophobicContact CG-CH2 4.48Å; P182-W295 HydrophobicContact CG-CZ2 3.75Å
183D91.3Very high94Very high38 Ų3860.8 Ų60.820%0.20331%0.314CS..G310 helixtrans-63.5-23.8-178.3-59.4-10.9000112.9T156 T157 C158 A159 S185 L186T156-D183 VanDerWaalsContact CB-OD1 3.29Å; T156-D183 WeakPolarHBondContact CB-OD1 3.24Å; T157-D183 PolarHBondContact N-OD1 3.24Å; T157-D183 VanDerWaalsContact N-OD1 3.11Å; T157-D183 PolarHBondContact OG1-N 3.14Å; T157-D183 PolarHBondContact OG1-OD1 2.92Å; C158-D183 WeakPolarHBondContact CA-OD2 3.09Å; C158-D183 PolarHBondContact N-OD1 3.42Å; C158-D183 PolarHBondContact N-OD2 2.92Å; A159-D183 PolarHBondContact N-OD2 2.92Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 3.47Å; D183-L186 WeakPolarHBondContact O-CD1 3.13Å; D183-L186 VanDerWaalsContact O-CG 3.23Å; D183-L186 WeakPolarHBondContact O-CG 3.29Å
184N90.8Very high94.1Very high115 Ų11555.6 Ų55.662%0.61529%0.294SS*.G310 helixtrans-81.1-8.3177.478.4-27.4000113.8P182 L186 W295P182-N184 WeakPolarHBondContact CB-OD1 3.34Å; P182-N184 PolarHBondContact O-N 3.36Å; P182-N184 VanDerWaalsContact O-N 3.16Å; N184-L186 VanDerWaalsContact C-N 3.28Å; N184-L186 PolarHBondContact O-N 2.73Å; N184-W295 WeakPolarHBondContact ND2-CH2 3.48Å; N184-W295 VanDerWaalsContact OD1-CH2 3.29Å; N184-W295 WeakPolarHBondContact OD1-CH2 3.3Å; N184-W295 WeakPolarHBondContact OD1-CZ2 3.37Å
185S92Very high94.3Very high6 Ų653.3 Ų53.34%0.04228%0.283CS..G310 helixtrans-83.4-2.3-178.470.30000113.6V181 P182 D183 A187 Y188 L189V181-S185 WeakPolarHBondContact CB-OG 3.4Å; P182-S185 WeakPolarHBondContact O-CB 3.32Å; P182-S185 PolarHBondContact O-N 2.86Å; P182-S185 PolarHBondContact O-OG 3.17Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 3.47Å; S185-A187 PolarHBondContact O-N 2.78Å; S185-Y188 WeakPolarHBondContact O-CB 3.45Å; S185-Y188 PolarHBondContact O-N 3.17Å; S185-Y188 VanDerWaalsContact O-N 3.1Å; S185-L189 PolarHBondContact O-N 3.09Å
186L94.1Very high94.6Very high8 Ų843.9 Ų43.94%0.04224%0.242CC..Hα-helixtrans-49.6-57.3-174.5-70.6172000112.7F129 T156 D183 N184 Y188 L189 M190 L217 M218 T221F129-L186 HydrophobicContact CD1-CD2 4.39Å; F129-L186 HydrophobicContact CE1-CD2 3.8Å; F129-L186 HydrophobicContact CE2-CD2 4.18Å; F129-L186 HydrophobicContact CZ-CD2 3.7Å; T156-L186 HydrophobicContact CG2-CD2 3.71Å; D183-L186 WeakPolarHBondContact O-CD1 3.13Å; D183-L186 VanDerWaalsContact O-CG 3.23Å; D183-L186 WeakPolarHBondContact O-CG 3.29Å; N184-L186 VanDerWaalsContact C-N 3.28Å; N184-L186 PolarHBondContact O-N 2.73Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 2.87Å; L186-L189 PolarHBondContact O-N 3.13Å; L186-M190 WeakPolarHBondContact O-CB 3.37Å; L186-M190 PolarHBondContact O-N 2.95Å; L186-L217 HydrophobicContact CD1-CD2 4Å; L186-L217 HydrophobicContact CD1-CG 3.97Å; L186-M218 HydrophobicContact CD1-CB 4.32Å; L186-M218 HydrophobicContact CD2-CB 4.3Å; L186-M218 HydrophobicContact CD2-CE 3.48Å; L186-M218 VanDerWaalsContact CD2-CE 3.48Å; L186-M218 HydrophobicContact CD2-CG 4.09Å; L186-T221 HydrophobicContact CB-CG2 4.36Å
187A95Very high94.8Very high52 Ų5243.4 Ų43.443%0.4324%0.239SC..Hα-helixtrans-67.2-29.6-176.900000113S185 P191 T221 F225S185-A187 PolarHBondContact O-N 2.78Å; A187-P191 WeakPolarHBondContact O-CD 3.33Å; A187-T221 HydrophobicContact CB-CG2 4.03Å; A187-F225 HydrophobicContact CB-CE2 4.26Å
188Y95.4Very high95Very high164 Ų16440.3 Ų40.364%0.64322%0.217SC*.Hα-helixtrans-70.9-40.4178.5-179.3-98.5000111.8S185 L186 P191S185-Y188 WeakPolarHBondContact O-CB 3.45Å; S185-Y188 PolarHBondContact O-N 3.17Å; S185-Y188 VanDerWaalsContact O-N 3.1Å; L186-Y188 VanDerWaalsContact C-N 3.28Å; L186-Y188 PolarHBondContact O-N 2.87Å; Y188-P191 WeakPolarHBondContact O-CD 3.31Å
189L95.1Very high95Very high19 Ų1939 Ų3910%0.09921%0.208CC..Hα-helixtrans-89.8-21.8-177.1-66.2175.2000113.7F129 Y154 V181 S185 L186 P191 Q192F129-L189 HydrophobicContact CE2-CB 3.77Å; F129-L189 HydrophobicContact CZ-CB 4.23Å; F129-L189 HydrophobicContact CZ-CD1 4.23Å; Y154-L189 HydrophobicContact CD1-CD1 4.19Å; Y154-L189 HydrophobicContact CE1-CD1 4.37Å; V181-L189 HydrophobicContact CB-CD1 3.88Å; V181-L189 HydrophobicContact CG1-CD1 3.59Å; V181-L189 HydrophobicContact CG2-CD1 4.06Å; S185-L189 PolarHBondContact O-N 3.09Å; L186-L189 PolarHBondContact O-N 3.13Å; L189-P191 VanDerWaalsContact C-N 3.31Å; L189-P191 VanDerWaalsContact O-N 3.17Å; L189-Q192 PolarHBondContact O-N 2.92Å
190M96.8Very high95Very high0 Ų036.4 Ų36.40%019%0.193CC..G310 helixtrans-52-36.4-177.8-162.660.866.500115F129 L186 Q192 V193 V196 T221 A222 F225 R227F129-M190 HydrophobicContact CD2-CE 4.13Å; F129-M190 HydrophobicContact CD2-SD 4.49Å; L186-M190 WeakPolarHBondContact O-CB 3.37Å; L186-M190 PolarHBondContact O-N 2.95Å; M190-Q192 PolarHBondContact O-N 3.45Å; M190-V193 PolarHBondContact O-N 3.42Å; M190-V193 VanDerWaalsContact O-N 3.16Å; M190-V193 HydrophobicContact SD-CB 4.4Å; M190-V193 HydrophobicContact SD-CG1 4.47Å; M190-V196 HydrophobicContact CE-CG2 4.14Å; M190-V196 HydrophobicContact SD-CG2 3.97Å; M190-T221 HydrophobicContact CB-CG2 4.45Å; M190-T221 HydrophobicContact CE-CG2 4.03Å; M190-T221 HydrophobicContact CG-CG2 4.49Å; M190-A222 HydrophobicContact CE-CB 3.89Å; M190-A222 HydrophobicContact SD-CB 3.91Å; M190-F225 HydrophobicContact CB-CD2 3.86Å; M190-F225 HydrophobicContact CB-CE2 4.21Å; M190-F225 HydrophobicContact CB-CG 4.14Å; M190-F225 HydrophobicContact CG-CB 3.73Å; M190-F225 HydrophobicContact CG-CD2 3.69Å; M190-F225 HydrophobicContact CG-CG 3.82Å; M190-R227 HydrophobicContact CG-CG 3.93Å; M190-R227 PolarHBondContact O-NE 2.84Å; M190-R227 HydrophobicContact SD-CB 4.16Å; M190-R227 HydrophobicContact SD-CG 3.91Å
191P95.6Very high94.9Very high64 Ų6434.7 Ų34.742%0.41618%0.183SC..G310 helixtrans-60.4-25.3175.9-26.736.6000114.6A187 Y188 L189 F225 R227A187-P191 WeakPolarHBondContact O-CD 3.33Å; Y188-P191 WeakPolarHBondContact O-CD 3.31Å; L189-P191 VanDerWaalsContact C-N 3.31Å; L189-P191 VanDerWaalsContact O-N 3.17Å; P191-F225 HydrophobicContact CG-CD1 4.21Å; P191-F225 HydrophobicContact CG-CE1 3.85Å; P191-R227 PolarHBondContact O-NH2 3.19Å
192Q94.3Very high94.9Very high111 Ų11134.3 Ų34.352%0.51918%0.181SC..G310 helixtrans-91.1-9.7179.6-58.4179.54.900113.3Y154 L189 M190Y154-Q192 PolarHBondContact OH-OE1 3.34Å; L189-Q192 PolarHBondContact O-N 2.92Å; M190-Q192 PolarHBondContact O-N 3.45Å
193V96.2Very high95.1Very high0 Ų033.3 Ų33.30%017%0.174CC..  trans-89137.8-176.4169.80000110.3V127 F129 Y154 M190 L195 V196 R227V127-V193 HydrophobicContact CG1-CG2 4.14Å; F129-V193 HydrophobicContact CB-CG1 3.9Å; F129-V193 HydrophobicContact CB-CG2 4.2Å; F129-V193 HydrophobicContact CD2-CB 4.35Å; F129-V193 HydrophobicContact CD2-CG1 4.42Å; F129-V193 HydrophobicContact CD2-CG2 3.42Å; F129-V193 VanDerWaalsContact CD2-CG2 3.42Å; F129-V193 HydrophobicContact CE2-CG2 4.15Å; F129-V193 HydrophobicContact CG-CG2 4.15Å; Y154-V193 HydrophobicContact CD2-CG2 3.94Å; Y154-V193 HydrophobicContact CE2-CG2 4.44Å; M190-V193 PolarHBondContact O-N 3.42Å; M190-V193 VanDerWaalsContact O-N 3.16Å; M190-V193 HydrophobicContact SD-CB 4.4Å; M190-V193 HydrophobicContact SD-CG1 4.47Å; V193-L195 WeakPolarHBondContact CG1-O 3.32Å; V193-V196 HydrophobicContact CG1-CG2 4.4Å; V193-R227 WeakPolarHBondContact O-CD 3.42Å; V193-R227 PolarHBondContact O-NE 2.88Å; V193-R227 PolarHBondContact O-NH1 3.37Å
194D96.8Very high95.2Very high72 Ų7231.5 Ų31.539%0.38516%0.164SC..SBendtrans-86.6-39.5176.3-64-52.9000112.1S126 V127 P228S126-D194 VanDerWaalsContact CA-OD2 3.29Å; S126-D194 WeakPolarHBondContact CA-OD2 3.44Å; V127-D194 PolarHBondContact N-OD2 2.86Å; V127-D194 PolarHBondContact O-N 2.83Å; D194-P228 VanDerWaalsContact O-CD 3.31Å; D194-P228 WeakPolarHBondContact O-CD 3.31Å
195L96.9Very high95.4Very high6 Ų628.9 Ų28.93%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-151.5156.217964.6131.3000112.8V127 I128 F129 V193 V197 P228 Y230V127-L195 PolarHBondContact O-N 3.47Å; I128-L195 WeakPolarHBondContact CA-O 3.47Å; I128-L195 HydrophobicContact CG1-CD1 4.37Å; I128-L195 HydrophobicContact CG1-CD2 4.22Å; I128-L195 HydrophobicContact CG1-CG 4.15Å; I128-L195 HydrophobicContact CG2-CD1 4.32Å; I128-L195 HydrophobicContact CG2-CG 4.44Å; F129-L195 PolarHBondContact N-O 3.3Å; V193-L195 WeakPolarHBondContact CG1-O 3.32Å; L195-V197 HydrophobicContact CD1-CG2 3.49Å; L195-V197 VanDerWaalsContact CD1-CG2 3.49Å; L195-P228 HydrophobicContact CB-CG 3.87Å; L195-Y230 HydrophobicContact CB-CE2 4.38Å; L195-Y230 HydrophobicContact CD1-CD2 3.67Å; L195-Y230 HydrophobicContact CD1-CE2 3.87Å
196V97.8Very high95.5Very high0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-107.6135.2173.8174.40000109.8F129 M190 V193 L198 M218 A222 P228 V229 Y230F129-V196 HydrophobicContact CB-CG2 3.88Å; F129-V196 WeakPolarHBondContact O-CA 3.3Å; M190-V196 HydrophobicContact CE-CG2 4.14Å; M190-V196 HydrophobicContact SD-CG2 3.97Å; V193-V196 HydrophobicContact CG1-CG2 4.4Å; V196-L198 HydrophobicContact CG1-CD2 4.11Å; V196-L198 HydrophobicContact CG1-CG 4.08Å; V196-M218 HydrophobicContact CG1-CG 3.79Å; V196-M218 HydrophobicContact CG1-SD 3.47Å; V196-M218 WeakPolarHBondContact CG1-SD 3.35Å; V196-A222 HydrophobicContact CB-CB 4.31Å; V196-A222 HydrophobicContact CG2-CB 3.61Å; V196-P228 PolarHBondContact N-O 3.45Å; V196-V229 HydrophobicContact CB-CG2 4.26Å; V196-V229 HydrophobicContact CG1-CG1 4.33Å; V196-Y230 PolarHBondContact O-N 3.13Å
197V97.9Very high95.5Very high1 Ų129.2 Ų29.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-124.7119.8177-1760000109.6F118 I128 F129 L130 V137 L195 Y230 L232F118-V197 HydrophobicContact CE2-CG2 3.99Å; F118-V197 HydrophobicContact CZ-CG1 4.15Å; F118-V197 HydrophobicContact CZ-CG2 3.55Å; I128-V197 HydrophobicContact CG2-CB 4.01Å; I128-V197 HydrophobicContact CG2-CG2 3.48Å; I128-V197 VanDerWaalsContact CG2-CG2 3.48Å; F129-V197 PolarHBondContact O-N 3.04Å; L130-V197 HydrophobicContact CD2-CB 3.73Å; L130-V197 HydrophobicContact CD2-CG1 4.45Å; V137-V197 HydrophobicContact CG1-CG1 4.1Å; V137-V197 HydrophobicContact CG2-CG1 4Å; L195-V197 HydrophobicContact CD1-CG2 3.49Å; L195-V197 VanDerWaalsContact CD1-CG2 3.49Å; V197-Y230 CarbonylContact C-O 3.52Å; V197-Y230 WeakPolarHBondContact CA-O 3.24Å; V197-L232 HydrophobicContact CG1-CD1 4Å; V197-L232 HydrophobicContact CG1-CG 3.85Å
198L97.8Very high95.6Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-110.8148.4178.4-59.4177.3000110.3H131 V196 I209 M218 A219 V229 Y230 V231 L232H131-L198 HydrophobicContact CB-CD2 3.58Å; V196-L198 HydrophobicContact CG1-CD2 4.11Å; V196-L198 HydrophobicContact CG1-CG 4.08Å; L198-I209 HydrophobicContact CB-CD1 4.41Å; L198-I209 HydrophobicContact CD1-CD1 4.43Å; L198-M218 HydrophobicContact CD2-CG 4.47Å; L198-M218 HydrophobicContact CD2-SD 3.61Å; L198-A219 HydrophobicContact CD1-CB 4.25Å; L198-V229 HydrophobicContact CD1-CG1 3.89Å; L198-V229 HydrophobicContact CG-CG1 4.37Å; L198-Y230 PolarHBondContact N-O 3.32Å; L198-V231 HydrophobicContact CB-CG2 4.37Å; L198-V231 WeakPolarHBondContact O-CA 3.29Å; L198-L232 PolarHBondContact O-N 3.15Å
199G95.9Very high95.7Very high1 Ų118.9 Ų18.91%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-83.1177.3158.200000111N211G199-N211 VanDerWaalsContact O-CG 3.28Å; G199-N211 PolarHBondContact O-ND2 3.2Å
200A94.8Very high95.7Very high5 Ų518 Ų184%0.04110%0.096CC..  trans-139.2144.816600000110.4V203 I209 V231 A233 K237A200-V203 HydrophobicContact CB-CG2 4.24Å; A200-I209 HydrophobicContact CB-CB 3.99Å; A200-I209 HydrophobicContact CB-CD1 4.29Å; A200-I209 HydrophobicContact CB-CG2 3.91Å; A200-V231 HydrophobicContact CB-CG1 4.04Å; A200-A233 HydrophobicContact CB-CB 4.02Å; A200-K237 WeakPolarHBondContact O-CD 3.43Å; A200-K237 WeakPolarHBondContact O-CE 3.48Å; A200-K237 PolarHBondContact O-NZ 2.76Å
201E91.9Very high95.6Very high37 Ų3718.5 Ų18.517%0.17310%0.098CC..SBendtrans-84.8-39.4166.1-64.7-153150.500111.1L66 S67 L210 M212L66-E201 HydrophobicContact CB-CB 4.08Å; L66-E201 HydrophobicContact CD1-CB 4.13Å; S67-E201 PolarHBondContact OG-O 3.47Å; E201-L210 PolarHBondContact N-O 3.31Å; E201-M212 HydrophobicContact CG-CE 4.18Å; E201-M212 WeakPolarHBondContact OE1-CE 3.41Å
202A93.9Very high95.4Very high0 Ų016.7 Ų16.70%09%0.085CC..EExtended strand (participates in β ladder)trans-143.6150.7170.600000111.2L66 I209 L210 K237 M239L66-A202 HydrophobicContact CB-CB 4.26Å; L66-A202 HydrophobicContact CD2-CB 4.2Å; A202-I209 WeakPolarHBondContact O-CA 3.37Å; A202-L210 HydrophobicContact CB-CB 4.3Å; A202-L210 HydrophobicContact CB-CD1 4.43Å; A202-L210 PolarHBondContact N-O 2.91Å; A202-L210 VanDerWaalsContact N-O 3.16Å; A202-L210 PolarHBondContact O-N 3.04Å; A202-K237 CarbonylContact C-O 3.57Å; A202-K237 VanDerWaalsContact CA-O 3.3Å; A202-K237 WeakPolarHBondContact CA-O 3.44Å; A202-M239 HydrophobicContact CB-CB 4.44Å; A202-M239 HydrophobicContact CB-CE 4.45Å
203V95.7Very high95.2Very high0 Ų013.7 Ų13.70%07%0.072CC..EExtended strand (participates in β ladder)trans-110.8125.2170.7-176.70000107.4A200 I209 A233 K237 F238 M239 L324 V336A200-V203 HydrophobicContact CB-CG2 4.24Å; V203-I209 HydrophobicContact CG1-CG2 4.43Å; V203-I209 HydrophobicContact CG2-CG2 4.01Å; V203-A233 HydrophobicContact CG2-CB 3.69Å; V203-K237 PolarHBondContact N-O 3.02Å; V203-F238 HydrophobicContact CB-CD1 3.68Å; V203-F238 HydrophobicContact CB-CE1 3.86Å; V203-F238 HydrophobicContact CB-CG 4.44Å; V203-F238 HydrophobicContact CG1-CD1 4.26Å; V203-F238 HydrophobicContact CG1-CE1 4.11Å; V203-F238 HydrophobicContact CG2-CD1 3.93Å; V203-F238 HydrophobicContact CG2-CE1 3.8Å; V203-F238 WeakPolarHBondContact O-CA 3.17Å; V203-M239 PolarHBondContact O-N 3.17Å; V203-L324 HydrophobicContact CB-CD2 4.46Å; V203-L324 HydrophobicContact CG1-CD2 3.53Å; V203-L324 HydrophobicContact CG2-CD2 4.04Å; V203-V336 HydrophobicContact CG1-CG1 3.7Å; V203-V336 HydrophobicContact CG1-CG2 4.39Å
204V94.9Very high95.1Very high0 Ų014.4 Ų14.40%08%0.079CC..  trans-93.3168.6-175.5-60.50000111.6S206 G207 G208 L210 C241 P243 Y315V204-S206 VanDerWaalsContact C-N 3.26Å; V204-S206 WeakPolarHBondContact CG2-OG 3.39Å; V204-S206 PolarHBondContact O-N 3.25Å; V204-G207 PolarHBondContact O-N 3.03Å; V204-G208 VanDerWaalsContact CG2-O 3.28Å; V204-G208 WeakPolarHBondContact CG2-O 3.23Å; V204-G208 PolarHBondContact N-O 3.39Å; V204-L210 HydrophobicContact CG1-CD1 4.08Å; V204-L210 HydrophobicContact CG1-CG 3.94Å; V204-C241 WeakPolarHBondContact CB-O 3.49Å; V204-C241 HydrophobicContact CG1-CB 4.22Å; V204-P243 HydrophobicContact CB-CG 4.47Å; V204-P243 HydrophobicContact CG1-CG 4.08Å; V204-P243 HydrophobicContact CG2-CG 4.24Å; V204-Y315 HydrophobicContact CG2-CD2 4.38Å; V204-Y315 HydrophobicContact CG2-CE2 3.57Å
205E93.8Very high95Very high61 Ų6111 Ų1129%0.2856%0.061SC..THydrogen-bonded Turntrans-63.7-28.9-172.5-176.2170.2-177.100114.2G207 C241 Y242 L340E205-G207 PolarHBondContact O-N 2.97Å; E205-G207 VanDerWaalsContact O-N 3.16Å; E205-C241 WeakPolarHBondContact CB-O 3.25Å; E205-C241 PolarHBondContact N-O 3.35Å; E205-Y242 HydrophobicContact CB-CD2 4.11Å; E205-Y242 HydrophobicContact CG-CD2 4.35Å; E205-L340 VanDerWaalsContact CA-CD1 3.44Å; E205-L340 HydrophobicContact CB-CD1 3.95Å; E205-L340 HydrophobicContact CG-CD1 4.26Å
206S94.5Very high95Very high20 Ų2011.5 Ų11.514%0.147%0.065CC..THydrogen-bonded Turntrans-69.2-717476.60000113.9V204 G208 Y315 P318V204-S206 VanDerWaalsContact C-N 3.26Å; V204-S206 WeakPolarHBondContact CG2-OG 3.39Å; V204-S206 PolarHBondContact O-N 3.25Å; S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact OG-N 2.9Å; S206-Y315 PolarHBondContact OG-OH 2.97Å; S206-P318 WeakPolarHBondContact O-CB 3.46Å; S206-P318 WeakPolarHBondContact O-CG 3.33Å
207G95.2Very high94.9Very high0 Ų015.8 Ų15.80%09%0.087CC..SBendtrans80.94.3-169.200000114.5V204 E205 P333V204-G207 PolarHBondContact O-N 3.03Å; E205-G207 PolarHBondContact O-N 2.97Å; E205-G207 VanDerWaalsContact O-N 3.16Å; G207-P333 WeakPolarHBondContact CA-O 3.29Å
208G96.6Very high94.8Very high0 Ų015.7 Ų15.70%09%0.087CC..  trans-76.3174.2169.500000111.7V204 S206 T316V204-G208 VanDerWaalsContact CG2-O 3.28Å; V204-G208 WeakPolarHBondContact CG2-O 3.23Å; V204-G208 PolarHBondContact N-O 3.39Å; S206-G208 VanDerWaalsContact C-N 3.28Å; S206-G208 PolarHBondContact OG-N 2.9Å; G208-T316 WeakPolarHBondContact CA-O 3.44Å
209I96.8Very high94.8Very high0 Ų015.7 Ų15.70%09%0.087CC..EExtended strand (participates in β ladder)trans-127.2151.6178.162.5168.5000113.1L198 A200 A202 V203 N211 V231 Y315 T316 I321 L324L198-I209 HydrophobicContact CB-CD1 4.41Å; L198-I209 HydrophobicContact CD1-CD1 4.43Å; A200-I209 HydrophobicContact CB-CB 3.99Å; A200-I209 HydrophobicContact CB-CD1 4.29Å; A200-I209 HydrophobicContact CB-CG2 3.91Å; A202-I209 WeakPolarHBondContact O-CA 3.37Å; V203-I209 HydrophobicContact CG1-CG2 4.43Å; V203-I209 HydrophobicContact CG2-CG2 4.01Å; I209-N211 HydrophobicContact CD1-CB 4.28Å; I209-V231 HydrophobicContact CD1-CG1 3.95Å; I209-V231 HydrophobicContact CD1-CG2 3.79Å; I209-V231 HydrophobicContact CG2-CG1 3.82Å; I209-V231 HydrophobicContact CG2-CG2 4.47Å; I209-Y315 CarbonylContact O-C 3.59Å; I209-Y315 WeakPolarHBondContact O-CA 3.36Å; I209-Y315 WeakPolarHBondContact O-CD2 3.35Å; I209-T316 HydrophobicContact CG1-CG2 4.44Å; I209-T316 PolarHBondContact N-O 3.28Å; I209-T316 PolarHBondContact O-N 3.43Å; I209-I321 HydrophobicContact CG1-CD1 4.13Å; I209-I321 HydrophobicContact CG2-CD1 4.2Å; I209-L324 HydrophobicContact CG2-CD2 4.24Å
210L94.9Very high94.9Very high0 Ų019.4 Ų19.40%011%0.105CC..EExtended strand (participates in β ladder)trans-104.3121.6164-61.6179.5000107.7L66 E201 A202 V204 I249 F253 V313 D314 Y315L66-L210 HydrophobicContact CD1-CB 3.9Å; L66-L210 HydrophobicContact CD1-CD1 4.08Å; L66-L210 HydrophobicContact CD2-CD1 3.82Å; E201-L210 PolarHBondContact N-O 3.31Å; A202-L210 HydrophobicContact CB-CB 4.3Å; A202-L210 HydrophobicContact CB-CD1 4.43Å; A202-L210 PolarHBondContact N-O 2.91Å; A202-L210 VanDerWaalsContact N-O 3.16Å; A202-L210 PolarHBondContact O-N 3.04Å; V204-L210 HydrophobicContact CG1-CD1 4.08Å; V204-L210 HydrophobicContact CG1-CG 3.94Å; L210-I249 HydrophobicContact CD2-CD1 4.08Å; L210-I249 HydrophobicContact CD2-CG1 4.07Å; L210-I249 HydrophobicContact CD2-CG2 4.28Å; L210-F253 HydrophobicContact CD1-CD2 4.25Å; L210-V313 HydrophobicContact CB-CG1 3.73Å; L210-V313 HydrophobicContact CD2-CG1 4.39Å; L210-D314 WeakPolarHBondContact CA-O 3.41Å; L210-Y315 HydrophobicContact CD2-CD2 4Å; L210-Y315 HydrophobicContact CD2-CG 4.41Å
211N94.4Very high95Very high11 Ų1120.1 Ų20.16%0.05911%0.109CC..EExtended strand (participates in β ladder)trans-147.7175.5179.3-170.424.6000110.4G199 I209 V313 D314G199-N211 VanDerWaalsContact O-CG 3.28Å; G199-N211 PolarHBondContact O-ND2 3.2Å; I209-N211 HydrophobicContact CD1-CB 4.28Å; N211-V313 CarbonylContact O-C 3.56Å; N211-V313 WeakPolarHBondContact O-CA 3.31Å; N211-V313 VanDerWaalsContact O-CG1 3.29Å; N211-V313 WeakPolarHBondContact O-CG1 3.44Å; N211-D314 PolarHBondContact N-O 3.05Å; N211-D314 VanDerWaalsContact N-O 3.16Å; N211-D314 PolarHBondContact O-N 3.36Å
212M91.5Very high95.3Very high26 Ų2618.4 Ų18.413%0.12810%0.101CC..EExtended strand (participates in β ladder)trans-49.4141.3177.8-63.3-69.490.100112.4H131 L163 E201 G214 S215 V313H131-M212 PolarHBondContact NE2-O 2.7Å; L163-M212 HydrophobicContact CD1-SD 4.14Å; E201-M212 HydrophobicContact CG-CE 4.18Å; E201-M212 WeakPolarHBondContact OE1-CE 3.41Å; M212-G214 PolarHBondContact O-N 3.28Å; M212-S215 WeakPolarHBondContact O-CB 3.25Å; M212-S215 PolarHBondContact O-N 3.15Å; M212-S215 VanDerWaalsContact O-N 3.14Å; M212-V313 HydrophobicContact CE-CG2 3.96Å
213L91.1Very high95.4Very high48 Ų4820.9 Ų20.925%0.25112%0.118SC..THydrogen-bonded Turntrans-49.1122.9179.9-178.269.3000111.8H131 P311 R312 D314H131-L213 PolarHBondContact CE1-O 3.04Å; H131-L213 PolarHBondContact NE2-O 3.15Å; L213-P311 HydrophobicContact CD1-CG 4.17Å; L213-P311 WeakPolarHBondContact CD2-O 3.39Å; L213-R312 PolarHBondContact N-O 3.35Å; L213-D314 HydrophobicContact CD1-CB 4.13Å
214G93.3Very high95.5Very high15 Ų1525.7 Ų25.716%0.15515%0.152CC..THydrogen-bonded Turntrans112.4-11.8-177.900000113.2M212 S216 L217 M218 D314M212-G214 PolarHBondContact O-N 3.28Å; G214-S216 VanDerWaalsContact C-N 3.31Å; G214-S216 PolarHBondContact O-N 2.97Å; G214-L217 PolarHBondContact O-N 2.91Å; G214-M218 PolarHBondContact O-N 3.27Å; G214-D314 PolarHBondContact N-OD2 2.94Å
215S95.5Very high95.6Very high0 Ų030.3 Ų30.30%017%0.172CC..Hα-helixtrans-62.2-40.6176.483.40000111.9H131 M212 M218 A219 D314 T316H131-S215 PolarHBondContact CD2-N 2.69Å; H131-S215 PolarHBondContact NE2-N 3.42Å; M212-S215 WeakPolarHBondContact O-CB 3.25Å; M212-S215 PolarHBondContact O-N 3.15Å; M212-S215 VanDerWaalsContact O-N 3.14Å; S215-M218 PolarHBondContact O-N 3.22Å; S215-A219 WeakPolarHBondContact O-CB 3.31Å; S215-A219 PolarHBondContact O-N 2.9Å; S215-D314 WeakPolarHBondContact CB-OD1 3.26Å; S215-D314 PolarHBondContact N-OD2 3.37Å; S215-D314 PolarHBondContact OG-OD1 3.44Å; S215-T316 PolarHBondContact OG-OG1 3.17Å
216S96Very high95.7Very high16 Ų1630.5 Ų30.511%0.11219%0.191CC..Hα-helixtrans-65.8-41.8178.265.20000111.8G214 A219 M220 Q246 D314 Y315 T316G214-S216 VanDerWaalsContact C-N 3.31Å; G214-S216 PolarHBondContact O-N 2.97Å; S216-A219 PolarHBondContact O-N 3.43Å; S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.26Å; S216-M220 WeakPolarHBondContact O-CG 3.35Å; S216-M220 PolarHBondContact O-N 3.32Å; S216-Q246 PolarHBondContact OG-NE2 3.28Å; S216-D314 VanDerWaalsContact CB-OD2 3.3Å; S216-D314 WeakPolarHBondContact CB-OD2 3.45Å; S216-D314 PolarHBondContact N-OD1 2.92Å; S216-D314 PolarHBondContact N-OD2 3.45Å; S216-D314 PolarHBondContact OG-OD2 3.23Å; S216-Y315 WeakPolarHBondContact CB-O 3.47Å; S216-T316 VanDerWaalsContact CA-OG1 3.24Å; S216-T316 WeakPolarHBondContact CA-OG1 3.37Å; S216-T316 PolarHBondContact N-OG1 3.26Å
217L95.9Very high95.9Very high90 Ų9033 Ų3347%0.47120%0.197SC..Hα-helixtrans-63.6-43.2177.1-178.164.4000111.4L186 G214 T221L186-L217 HydrophobicContact CD1-CD2 4Å; L186-L217 HydrophobicContact CD1-CG 3.97Å; G214-L217 PolarHBondContact O-N 2.91Å; L217-T221 WeakPolarHBondContact O-CB 3.46Å; L217-T221 PolarHBondContact O-N 3.25Å; L217-T221 PolarHBondContact O-OG1 2.85Å
218M97.2Very high96Very high0 Ų034.8 Ų34.80%021%0.208CC..Hα-helixtrans-62.5-46.2175.7-176.4179.2-72.700111.3F129 H131 T156 L186 V196 L198 G214 S215 T221 A222F129-M218 HydrophobicContact CB-SD 4.43Å; F129-M218 HydrophobicContact CD1-CE 3.58Å; F129-M218 HydrophobicContact CD1-SD 4.36Å; F129-M218 HydrophobicContact CE1-CE 3.97Å; F129-M218 HydrophobicContact CG-CE 4.27Å; H131-M218 HydrophobicContact CB-CE 3.58Å; H131-M218 HydrophobicContact CB-SD 3.78Å; T156-M218 HydrophobicContact CG2-CE 3.29Å; L186-M218 HydrophobicContact CD1-CB 4.32Å; L186-M218 HydrophobicContact CD2-CB 4.3Å; L186-M218 HydrophobicContact CD2-CE 3.48Å; L186-M218 VanDerWaalsContact CD2-CE 3.48Å; L186-M218 HydrophobicContact CD2-CG 4.09Å; V196-M218 HydrophobicContact CG1-CG 3.79Å; V196-M218 HydrophobicContact CG1-SD 3.47Å; V196-M218 WeakPolarHBondContact CG1-SD 3.35Å; L198-M218 HydrophobicContact CD2-CG 4.47Å; L198-M218 HydrophobicContact CD2-SD 3.61Å; G214-M218 PolarHBondContact O-N 3.27Å; S215-M218 PolarHBondContact O-N 3.22Å; M218-T221 PolarHBondContact O-N 3Å; M218-A222 VanDerWaalsContact O-CB 3.31Å; M218-A222 WeakPolarHBondContact O-CB 3.36Å; M218-A222 PolarHBondContact O-N 3.2Å
219A97.7Very high96Very high0 Ų034.8 Ų34.80%021%0.208CC..Hα-helixtrans-64.2-43.9179.900000112.4L198 S215 S216 T221 A222 S223 V229 T316L198-A219 HydrophobicContact CD1-CB 4.25Å; S215-A219 WeakPolarHBondContact O-CB 3.31Å; S215-A219 PolarHBondContact O-N 2.9Å; S216-A219 PolarHBondContact O-N 3.43Å; A219-T221 PolarHBondContact O-N 3.4Å; A219-A222 PolarHBondContact O-N 3.24Å; A219-S223 VanDerWaalsContact O-CB 3.31Å; A219-S223 WeakPolarHBondContact O-CB 3.47Å; A219-S223 PolarHBondContact O-N 3.23Å; A219-V229 HydrophobicContact CB-CG1 4.28Å; A219-T316 HydrophobicContact CB-CG2 3.49Å; A219-T316 VanDerWaalsContact CB-CG2 3.49Å
220M97.2Very high96.1Very high78 Ų7836.1 Ų36.138%0.38421%0.214SC..Hα-helixtrans-60-45174.5-76.7173.351.600112.2S216 S224 Y320S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.26Å; S216-M220 WeakPolarHBondContact O-CG 3.35Å; S216-M220 PolarHBondContact O-N 3.32Å; M220-S224 PolarHBondContact O-N 3.19Å; M220-S224 PolarHBondContact O-OG 3.35Å; M220-Y320 HydrophobicContact CG-CD1 4.43Å; M220-Y320 HydrophobicContact CG-CD2 3.81Å; M220-Y320 HydrophobicContact CG-CE1 4.07Å; M220-Y320 HydrophobicContact CG-CE2 3.38Å; M220-Y320 HydrophobicContact CG-CG 4.32Å; M220-Y320 HydrophobicContact SD-CE2 4.31Å
221T97.5Very high96.2Very high21 Ų2136.1 Ų36.113%0.12921%0.214CC..Hα-helixtrans-63.6-49.6178.4-55.80000109.9L186 A187 M190 L217 M218 A219 S223 S224 F225L186-T221 HydrophobicContact CB-CG2 4.36Å; A187-T221 HydrophobicContact CB-CG2 4.03Å; M190-T221 HydrophobicContact CB-CG2 4.45Å; M190-T221 HydrophobicContact CE-CG2 4.03Å; M190-T221 HydrophobicContact CG-CG2 4.49Å; L217-T221 WeakPolarHBondContact O-CB 3.46Å; L217-T221 PolarHBondContact O-N 3.25Å; L217-T221 PolarHBondContact O-OG1 2.85Å; M218-T221 PolarHBondContact O-N 3Å; A219-T221 PolarHBondContact O-N 3.4Å; T221-S223 VanDerWaalsContact C-N 3.34Å; T221-S223 PolarHBondContact O-N 3.44Å; T221-S224 WeakPolarHBondContact O-CB 3.18Å; T221-S224 PolarHBondContact O-N 3.3Å; T221-S224 VanDerWaalsContact O-N 3.14Å; T221-F225 HydrophobicContact CG2-CD2 4.09Å; T221-F225 HydrophobicContact CG2-CE2 4.04Å; T221-F225 VanDerWaalsContact O-CD2 3.31Å; T221-F225 WeakPolarHBondContact O-CD2 3.33Å; T221-F225 PolarHBondContact O-N 3.33Å
222A97.8Very high96.4Very high0 Ų035.6 Ų35.60%021%0.211CC..Hα-helixtrans-57.5-46178.600000112.4M190 V196 M218 A219 S224 F225 G226 R227 V229M190-A222 HydrophobicContact CE-CB 3.89Å; M190-A222 HydrophobicContact SD-CB 3.91Å; V196-A222 HydrophobicContact CB-CB 4.31Å; V196-A222 HydrophobicContact CG2-CB 3.61Å; M218-A222 VanDerWaalsContact O-CB 3.31Å; M218-A222 WeakPolarHBondContact O-CB 3.36Å; M218-A222 PolarHBondContact O-N 3.2Å; A219-A222 PolarHBondContact O-N 3.24Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.36Å; A222-F225 CarbonylContact O-C 3.52Å; A222-F225 PolarHBondContact O-N 3Å; A222-F225 VanDerWaalsContact O-N 3.14Å; A222-G226 PolarHBondContact O-N 3.2Å; A222-G226 VanDerWaalsContact O-N 3.13Å; A222-R227 HydrophobicContact CB-CB 4.2Å; A222-R227 PolarHBondContact O-N 3.17Å; A222-V229 HydrophobicContact CB-CG2 3.56Å
223S96.6Very high96.6Very high52 Ų5234.4 Ų34.436%0.36421%0.205SC..Hα-helixtrans-59.6-41.1176.7-177.70000112.2A219 T221 F225 G226A219-S223 VanDerWaalsContact O-CB 3.31Å; A219-S223 WeakPolarHBondContact O-CB 3.47Å; A219-S223 PolarHBondContact O-N 3.23Å; T221-S223 VanDerWaalsContact C-N 3.34Å; T221-S223 PolarHBondContact O-N 3.44Å; S223-F225 VanDerWaalsContact C-N 3.26Å; S223-F225 PolarHBondContact O-N 3.24Å; S223-G226 PolarHBondContact O-N 3.35Å
224S97.1Very high96.8Very high102 Ų10232.3 Ų32.371%0.71319%0.194SC*.Hα-helixtrans-64-29.8177.7-56.90000113.2M220 T221 A222M220-S224 PolarHBondContact O-N 3.19Å; M220-S224 PolarHBondContact O-OG 3.35Å; T221-S224 WeakPolarHBondContact O-CB 3.18Å; T221-S224 PolarHBondContact O-N 3.3Å; T221-S224 VanDerWaalsContact O-N 3.14Å; A222-S224 VanDerWaalsContact C-N 3.32Å; A222-S224 PolarHBondContact O-N 3.36Å
225F97.2Very high96.8Very high97 Ų9732 Ų3243%0.42519%0.189SC..THydrogen-bonded Turntrans-92.44.2175.1-76.4-86.4000113.5A187 M190 P191 T221 A222 S223 R227A187-F225 HydrophobicContact CB-CE2 4.26Å; M190-F225 HydrophobicContact CB-CD2 3.86Å; M190-F225 HydrophobicContact CB-CE2 4.21Å; M190-F225 HydrophobicContact CB-CG 4.14Å; M190-F225 HydrophobicContact CG-CB 3.73Å; M190-F225 HydrophobicContact CG-CD2 3.69Å; M190-F225 HydrophobicContact CG-CG 3.82Å; P191-F225 HydrophobicContact CG-CD1 4.21Å; P191-F225 HydrophobicContact CG-CE1 3.85Å; T221-F225 HydrophobicContact CG2-CD2 4.09Å; T221-F225 HydrophobicContact CG2-CE2 4.04Å; T221-F225 VanDerWaalsContact O-CD2 3.31Å; T221-F225 WeakPolarHBondContact O-CD2 3.33Å; T221-F225 PolarHBondContact O-N 3.33Å; A222-F225 CarbonylContact O-C 3.52Å; A222-F225 PolarHBondContact O-N 3Å; A222-F225 VanDerWaalsContact O-N 3.14Å; S223-F225 VanDerWaalsContact C-N 3.26Å; S223-F225 PolarHBondContact O-N 3.24Å; F225-R227 VanDerWaalsContact C-N 3.26Å; F225-R227 HydrophobicContact CB-CG 4.11Å; F225-R227 PolarHBondContact O-N 3.46Å
226G96.5Very high96.6Very high65 Ų6532.3 Ų32.367%0.6719%0.19SC*.THydrogen-bonded Turntrans67.723.3-177.600000114A222 S223A222-G226 PolarHBondContact O-N 3.2Å; A222-G226 VanDerWaalsContact O-N 3.13Å; S223-G226 PolarHBondContact O-N 3.35Å
227R97Very high96.5Very high73 Ų7332.3 Ų32.328%0.27519%0.188SC..  trans-87.6132.4176.7-57.7-52.8-173.7177.70.7110.3M190 P191 V193 A222 F225M190-R227 HydrophobicContact CG-CG 3.93Å; M190-R227 PolarHBondContact O-NE 2.84Å; M190-R227 HydrophobicContact SD-CB 4.16Å; M190-R227 HydrophobicContact SD-CG 3.91Å; P191-R227 PolarHBondContact O-NH2 3.19Å; V193-R227 WeakPolarHBondContact O-CD 3.42Å; V193-R227 PolarHBondContact O-NE 2.88Å; V193-R227 PolarHBondContact O-NH1 3.37Å; A222-R227 HydrophobicContact CB-CB 4.2Å; A222-R227 PolarHBondContact O-N 3.17Å; F225-R227 VanDerWaalsContact C-N 3.26Å; F225-R227 HydrophobicContact CB-CG 4.11Å; F225-R227 PolarHBondContact O-N 3.46Å
228P97.4Very high96.4Very high36 Ų3628 Ų2823%0.23417%0.166CC..  trans-68.1137.5179.928.2-34.4000111.2D194 L195 V196 Y230 N322D194-P228 VanDerWaalsContact O-CD 3.31Å; D194-P228 WeakPolarHBondContact O-CD 3.31Å; L195-P228 HydrophobicContact CB-CG 3.87Å; V196-P228 PolarHBondContact N-O 3.45Å; P228-Y230 HydrophobicContact CB-CE1 3.91Å; P228-N322 VanDerWaalsContact CA-OD1 3.31Å; P228-N322 WeakPolarHBondContact CA-OD1 3.37Å
229V98.1Very high96.1Very high0 Ų028.2 Ų28.20%017%0.167CC..EExtended strand (participates in β ladder)trans-111117.2176.7-176.70000109.1V196 L198 A219 A222 Y320 N322V196-V229 HydrophobicContact CB-CG2 4.26Å; V196-V229 HydrophobicContact CG1-CG1 4.33Å; L198-V229 HydrophobicContact CD1-CG1 3.89Å; L198-V229 HydrophobicContact CG-CG1 4.37Å; A219-V229 HydrophobicContact CB-CG1 4.28Å; A222-V229 HydrophobicContact CB-CG2 3.56Å; V229-Y320 VanDerWaalsContact CB-O 3.25Å; V229-Y320 WeakPolarHBondContact CB-O 3.5Å; V229-Y320 WeakPolarHBondContact CG2-O 3.48Å; V229-N322 PolarHBondContact N-OD1 3.49Å; V229-N322 PolarHBondContact O-N 2.87Å
230Y97.9Very high95.8Very high29 Ų2934.5 Ų34.511%0.11419%0.191CC..EExtended strand (participates in β ladder)trans-108.9137.9175.6-56.3-33.1000110.6F118 L195 V196 V197 L198 P228 N322 Y323 I325F118-Y230 HydrophobicContact CE2-CD2 4.18Å; L195-Y230 HydrophobicContact CB-CE2 4.38Å; L195-Y230 HydrophobicContact CD1-CD2 3.67Å; L195-Y230 HydrophobicContact CD1-CE2 3.87Å; V196-Y230 PolarHBondContact O-N 3.13Å; V197-Y230 CarbonylContact C-O 3.52Å; V197-Y230 WeakPolarHBondContact CA-O 3.24Å; L198-Y230 PolarHBondContact N-O 3.32Å; P228-Y230 HydrophobicContact CB-CE1 3.91Å; Y230-N322 HydrophobicContact CD1-CB 4.38Å; Y230-N322 HydrophobicContact CE1-CB 4.23Å; Y230-Y323 WeakPolarHBondContact CA-O 3.36Å; Y230-Y323 HydrophobicContact CD1-CD2 4.02Å; Y230-Y323 AromaticContact CE1-CD2 3.55Å; Y230-Y323 HydrophobicContact CE1-CD2 3.55Å; Y230-Y323 HydrophobicContact CE1-CE2 4.3Å; Y230-Y323 HydrophobicContact CE1-CG 4.47Å; Y230-I325 HydrophobicContact CG-CD1 4.49Å
231V98.1Very high95.5Very high0 Ų031.7 Ų31.70%018%0.179CC..EExtended strand (participates in β ladder)trans-113.9126.1177.5176.70000108.9L198 A200 I209 A233 I321 Y323 L324 I325L198-V231 HydrophobicContact CB-CG2 4.37Å; L198-V231 WeakPolarHBondContact O-CA 3.29Å; A200-V231 HydrophobicContact CB-CG1 4.04Å; I209-V231 HydrophobicContact CD1-CG1 3.95Å; I209-V231 HydrophobicContact CD1-CG2 3.79Å; I209-V231 HydrophobicContact CG2-CG1 3.82Å; I209-V231 HydrophobicContact CG2-CG2 4.47Å; V231-A233 HydrophobicContact CG1-CB 4.45Å; V231-I321 HydrophobicContact CB-CG2 4.49Å; V231-I321 HydrophobicContact CG2-CD1 4.11Å; V231-I321 HydrophobicContact CG2-CG1 4.1Å; V231-I321 HydrophobicContact CG2-CG2 3.81Å; V231-Y323 PolarHBondContact N-O 2.9Å; V231-L324 HydrophobicContact CB-CG 4.3Å; V231-L324 CarbonylContact O-C 3.52Å; V231-L324 WeakPolarHBondContact O-CA 3.38Å; V231-I325 PolarHBondContact O-N 3.16Å
232L97.7Very high95.2Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-101.1117172.9-49.9-168.5000109.6I114 F118 V136 V137 A140 V197 L198 I325I114-L232 HydrophobicContact CG2-CB 4.11Å; I114-L232 HydrophobicContact CG2-CD1 4.46Å; I114-L232 HydrophobicContact CG2-CD2 4.38Å; F118-L232 HydrophobicContact CB-CD2 4.21Å; F118-L232 HydrophobicContact CD1-CD1 3.93Å; F118-L232 HydrophobicContact CD2-CD2 3.83Å; F118-L232 HydrophobicContact CE1-CD1 4.18Å; F118-L232 HydrophobicContact CE2-CD2 4.35Å; F118-L232 HydrophobicContact CG-CD1 4.09Å; F118-L232 HydrophobicContact CG-CD2 3.95Å; V136-L232 HydrophobicContact CG1-CB 3.79Å; V137-L232 HydrophobicContact CG2-CB 4.27Å; V137-L232 HydrophobicContact CG2-CD1 4.09Å; V137-L232 HydrophobicContact CG2-CG 4.29Å; A140-L232 HydrophobicContact CB-CD1 3.56Å; V197-L232 HydrophobicContact CG1-CD1 4Å; V197-L232 HydrophobicContact CG1-CG 3.85Å; L198-L232 PolarHBondContact O-N 3.15Å; L232-I325 HydrophobicContact CD2-CB 3.58Å; L232-I325 HydrophobicContact CD2-CD1 3.85Å; L232-I325 HydrophobicContact CD2-CG1 4.12Å; L232-I325 HydrophobicContact CD2-CG2 4.11Å
233A95.7Very high95Very high0 Ų037.6 Ų37.60%020%0.2CC..  trans-145.9141.1-178.100000111.4I114 A200 V203 V231 I325 T326I114-A233 WeakPolarHBondContact CD1-O 3.45Å; A200-A233 HydrophobicContact CB-CB 4.02Å; V203-A233 HydrophobicContact CG2-CB 3.69Å; V231-A233 HydrophobicContact CG1-CB 4.45Å; A233-I325 PolarHBondContact N-O 3.44Å; A233-T326 WeakPolarHBondContact O-CA 3.48Å; A233-T326 WeakPolarHBondContact O-CB 3.49Å; A233-T326 WeakPolarHBondContact O-CG2 3.36Å
234E94.7Very high94.7Very high5 Ų541 Ų412%0.02321%0.213CC..  trans-76145.3169.8-5399.9138.600111.7C110 I114 V136 F236 K237C110-E234 HydrophobicContact CB-CB 4.34Å; C110-E234 HydrophobicContact CB-CG 4.15Å; I114-E234 HydrophobicContact CD1-CB 4.29Å; I114-E234 HydrophobicContact CD1-CG 3.76Å; V136-E234 HydrophobicContact CG2-CG 4.13Å; V136-E234 WeakPolarHBondContact CG2-OE1 3.17Å; V136-E234 VanDerWaalsContact CG2-OE2 3.24Å; V136-E234 WeakPolarHBondContact CG2-OE2 3.45Å; E234-F236 HydrophobicContact CB-CD1 3.51Å; E234-F236 HydrophobicContact CB-CD2 4.46Å; E234-F236 HydrophobicContact CB-CE1 3.13Å; E234-F236 HydrophobicContact CB-CE2 4.14Å; E234-F236 HydrophobicContact CB-CG 4.18Å; E234-F236 HydrophobicContact CB-CZ 3.48Å; E234-F236 VanDerWaalsContact CB-CZ 3.48Å; E234-F236 HydrophobicContact CG-CD1 4.32Å; E234-F236 HydrophobicContact CG-CE1 3.45Å; E234-F236 VanDerWaalsContact CG-CE1 3.45Å; E234-F236 HydrophobicContact CG-CZ 3.6Å; E234-F236 PolarHBondContact O-N 3.33Å; E234-K237 VanDerWaalsContact O-CB 3.31Å; E234-K237 WeakPolarHBondContact O-CB 3.37Å; E234-K237 PolarHBondContact O-N 2.84Å; E234-K237 WeakPolarHBondContact OE2-CD 3.5Å; E234-K237 WeakPolarHBondContact OE2-CE 3.39Å; E234-K237 IonicContact OE2-NZ 3.85Å; E234-K237 PolarHBondContact OE2-NZ 3.32Å
235S93.8Very high94.3Very high9 Ų939.6 Ų39.66%0.06320%0.198CC..G310 helixtrans-59.7-26.6-179.758.90000114K237 F238 D327S235-K237 PolarHBondContact O-N 3.31Å; S235-F238 VanDerWaalsContact O-CB 3.29Å; S235-F238 WeakPolarHBondContact O-CB 3.4Å; S235-F238 WeakPolarHBondContact O-CG 3.47Å; S235-F238 PolarHBondContact O-N 2.95Å; S235-D327 WeakPolarHBondContact CB-OD1 3.2Å; S235-D327 PolarHBondContact N-OD1 3.17Å; S235-D327 VanDerWaalsContact OG-CG 3.24Å; S235-D327 PolarHBondContact OG-OD1 3.01Å; S235-D327 PolarHBondContact OG-OD2 3.14Å
236F91.9Very high93.9Very high5 Ų537.7 Ų37.72%0.02219%0.19CC..G310 helixtrans-71.4-5174.865.1-103.1000113.9A25 S70 A71 L74 V107 E234 F238A25-F236 HydrophobicContact CB-CD2 3.97Å; A25-F236 HydrophobicContact CB-CE2 3.57Å; S70-F236 CarbonylContact C-O 3.53Å; S70-F236 PolarHBondContact OG-O 3.47Å; A71-F236 WeakPolarHBondContact CA-O 3.41Å; A71-F236 HydrophobicContact CB-CD2 4Å; A71-F236 PolarHBondContact N-O 3.21Å; L74-F236 HydrophobicContact CD1-CB 4.49Å; V107-F236 HydrophobicContact CB-CD1 4.32Å; V107-F236 HydrophobicContact CG1-CD1 3.83Å; V107-F236 HydrophobicContact CG1-CE1 3.67Å; V107-F236 HydrophobicContact CG1-CZ 4.35Å; V107-F236 HydrophobicContact CG2-CB 4.44Å; V107-F236 HydrophobicContact CG2-CD1 3.88Å; V107-F236 HydrophobicContact CG2-CG 4.39Å; E234-F236 HydrophobicContact CB-CD1 3.51Å; E234-F236 HydrophobicContact CB-CD2 4.46Å; E234-F236 HydrophobicContact CB-CE1 3.13Å; E234-F236 HydrophobicContact CB-CE2 4.14Å; E234-F236 HydrophobicContact CB-CG 4.18Å; E234-F236 HydrophobicContact CB-CZ 3.48Å; E234-F236 VanDerWaalsContact CB-CZ 3.48Å; E234-F236 HydrophobicContact CG-CD1 4.32Å; E234-F236 HydrophobicContact CG-CE1 3.45Å; E234-F236 VanDerWaalsContact CG-CE1 3.45Å; E234-F236 HydrophobicContact CG-CZ 3.6Å; E234-F236 PolarHBondContact O-N 3.33Å; F236-F238 VanDerWaalsContact C-N 3.33Å
237K93.3Very high93.4Very high16 Ų1643.9 Ų43.97%0.0719%0.193CC..G310 helixtrans-90.62.8172.9-67.2-179.6171.9168.70113.3S67 S70 A200 A202 V203 E234 S235 M239S67-K237 WeakPolarHBondContact OG-CE 3.24Å; S70-K237 WeakPolarHBondContact OG-CA 3.46Å; A200-K237 WeakPolarHBondContact O-CD 3.43Å; A200-K237 WeakPolarHBondContact O-CE 3.48Å; A200-K237 PolarHBondContact O-NZ 2.76Å; A202-K237 CarbonylContact C-O 3.57Å; A202-K237 VanDerWaalsContact CA-O 3.3Å; A202-K237 WeakPolarHBondContact CA-O 3.44Å; V203-K237 PolarHBondContact N-O 3.02Å; E234-K237 VanDerWaalsContact O-CB 3.31Å; E234-K237 WeakPolarHBondContact O-CB 3.37Å; E234-K237 PolarHBondContact O-N 2.84Å; E234-K237 WeakPolarHBondContact OE2-CD 3.5Å; E234-K237 WeakPolarHBondContact OE2-CE 3.39Å; E234-K237 IonicContact OE2-NZ 3.85Å; E234-K237 PolarHBondContact OE2-NZ 3.32Å; S235-K237 PolarHBondContact O-N 3.31Å; K237-M239 PolarHBondContact O-N 3.4Å
238F94.1Very high93Very high0 Ų045.1 Ų45.10%020%0.202CC..BIsolated β-bridgetrans-78.5122.9-179-75.823.8000109.5V203 S235 F236 T326 L331 V336 E339 L340 L343 Y344V203-F238 HydrophobicContact CB-CD1 3.68Å; V203-F238 HydrophobicContact CB-CE1 3.86Å; V203-F238 HydrophobicContact CB-CG 4.44Å; V203-F238 HydrophobicContact CG1-CD1 4.26Å; V203-F238 HydrophobicContact CG1-CE1 4.11Å; V203-F238 HydrophobicContact CG2-CD1 3.93Å; V203-F238 HydrophobicContact CG2-CE1 3.8Å; V203-F238 WeakPolarHBondContact O-CA 3.17Å; S235-F238 VanDerWaalsContact O-CB 3.29Å; S235-F238 WeakPolarHBondContact O-CB 3.4Å; S235-F238 WeakPolarHBondContact O-CG 3.47Å; S235-F238 PolarHBondContact O-N 2.95Å; F236-F238 VanDerWaalsContact C-N 3.33Å; F238-T326 HydrophobicContact CE1-CG2 4.11Å; F238-T326 HydrophobicContact CZ-CG2 3.92Å; F238-L331 HydrophobicContact CE2-CD1 4.14Å; F238-L331 HydrophobicContact CZ-CD1 3.99Å; F238-V336 HydrophobicContact CD2-CG1 4.29Å; F238-V336 HydrophobicContact CE2-CG1 4.01Å; F238-V336 HydrophobicContact CZ-CG1 4.37Å; F238-E339 HydrophobicContact CE2-CB 4.26Å; F238-L340 HydrophobicContact CB-CD2 3.58Å; F238-L340 HydrophobicContact CB-CG 4.13Å; F238-L340 HydrophobicContact CD2-CD2 4.34Å; F238-L340 HydrophobicContact CD2-CG 4.02Å; F238-L340 HydrophobicContact CG-CD2 4.45Å; F238-L343 HydrophobicContact CB-CD1 4.37Å; F238-L343 HydrophobicContact CD2-CD1 3.96Å; F238-L343 HydrophobicContact CG-CD1 4.45Å; F238-Y344 PolarHBondContact O-OH 2.83Å
239M91.3Very high92.5Very high5 Ų543.5 Ų43.53%0.02519%0.192CC..  trans-123.3139.7-171.4176.9-177.6-7800110.7L66 I69 A202 V203 K237 C241 F253L66-M239 HydrophobicContact CD2-CE 3.73Å; L66-M239 HydrophobicContact CD2-SD 4.17Å; I69-M239 HydrophobicContact CB-CE 4.22Å; I69-M239 HydrophobicContact CG2-CE 4.06Å; A202-M239 HydrophobicContact CB-CB 4.44Å; A202-M239 HydrophobicContact CB-CE 4.45Å; V203-M239 PolarHBondContact O-N 3.17Å; K237-M239 PolarHBondContact O-N 3.4Å; M239-C241 VanDerWaalsContact C-N 3.25Å; M239-C241 HydrophobicContact CG-CB 3.94Å; M239-C241 PolarHBondContact O-N 3.46Å; M239-C241 HydrophobicContact SD-CB 3.9Å; M239-F253 HydrophobicContact CE-CE1 4.33Å; M239-F253 HydrophobicContact CE-CE2 4.28Å; M239-F253 HydrophobicContact CE-CZ 3.93Å; M239-F253 HydrophobicContact SD-CD2 4.46Å; M239-F253 HydrophobicContact SD-CE2 3.64Å; M239-F253 HydrophobicContact SD-CZ 3.79Å
240R90.5Very high91.9Very high131 Ų13145.5 Ų45.549%0.49420%0.204SC..  trans-77.977.3169-70.3-170.5120.4170.73.5110.9Y344R240-Y344 HydrophobicContact CG-CD1 4.02Å; R240-Y344 HydrophobicContact CG-CD2 4.11Å; R240-Y344 HydrophobicContact CG-CE1 3.77Å; R240-Y344 HydrophobicContact CG-CE2 3.89Å; R240-Y344 HydrophobicContact CG-CG 4.16Å
241C90.5Very high91Very high20 Ų2049.4 Ų49.414%0.13523%0.227CC..  trans-136.4148.6172.3-172.70000108.3V204 E205 M239V204-C241 WeakPolarHBondContact CB-O 3.49Å; V204-C241 HydrophobicContact CG1-CB 4.22Å; E205-C241 WeakPolarHBondContact CB-O 3.25Å; E205-C241 PolarHBondContact N-O 3.35Å; M239-C241 VanDerWaalsContact C-N 3.25Å; M239-C241 HydrophobicContact CG-CB 3.94Å; M239-C241 PolarHBondContact O-N 3.46Å; M239-C241 HydrophobicContact SD-CB 3.9Å
242Y93.2Very high90Very high143 Ų14354 Ų5456%0.56125%0.248SC*.  trans-135.269.2-180-157.8-81.5000110.6E205 L244E205-Y242 HydrophobicContact CB-CD2 4.11Å; E205-Y242 HydrophobicContact CG-CD2 4.35Å; Y242-L244 HydrophobicContact CD1-CD2 3.73Å; Y242-L244 HydrophobicContact CE1-CD2 3.61Å; Y242-L244 PolarHBondContact O-N 2.98Å
243P92.1Very high89.1Confident1 Ų154.8 Ų54.81%0.00625%0.252CS..  trans-68.1128.4175.429.8-33000109.5V204 H248 I249 Y315V204-P243 HydrophobicContact CB-CG 4.47Å; V204-P243 HydrophobicContact CG1-CG 4.08Å; V204-P243 HydrophobicContact CG2-CG 4.24Å; P243-H248 HydrophobicContact CB-CB 4.43Å; P243-I249 HydrophobicContact CB-CG1 4.44Å; P243-Y315 HydrophobicContact CB-CD2 4.49Å; P243-Y315 HydrophobicContact CB-CG 4.46Å; P243-Y315 HydrophobicContact CG-CD2 3.63Å; P243-Y315 HydrophobicContact CG-CE2 3.66Å; P243-Y315 HydrophobicContact CG-CG 4.07Å
244L90.3Very high88.2Confident124 Ų12456.4 Ų56.465%0.64926%0.259SS*.SBendtrans-81.9-26.9176.5-59176.1000112.5Y242Y242-L244 HydrophobicContact CD1-CD2 3.73Å; Y242-L244 HydrophobicContact CE1-CD2 3.61Å; Y242-L244 PolarHBondContact O-N 2.98Å
245D88.8Confident87Confident72 Ų7258.4 Ų58.439%0.38527%0.266SS..SBendtrans-160.7172.8-175.5-168.79.5000109.3R247 H248D245-R247 PolarHBondContact O-N 2.89Å; D245-H248 PolarHBondContact N-ND1 3Å; D245-H248 PolarHBondContact O-N 3Å
246Q90Very high85.5Confident58 Ų5859 Ų5927%0.27127%0.271SS..THydrogen-bonded Turntrans-55.8-21.5178.7-58.5-62.3-3.200114.5S216 K254 Y315S216-Q246 PolarHBondContact OG-NE2 3.28Å; Q246-K254 PolarHBondContact O-NZ 3.18Å; Q246-Y315 PolarHBondContact NE2-O 3.39Å
247R85.8Confident83.6Confident195 Ų19566.9 Ų66.974%0.73630%0.302SS*.THydrogen-bonded Turntrans-83.9-19.4177.8-63.9-172.4-68164.70.6113.4D245D245-R247 PolarHBondContact O-N 2.89Å
248H88.2Confident81.6Confident98 Ų9873.6 Ų73.645%0.45434%0.338SS..SBendtrans-986.6-177.3-58107.4000112.8P243 D245 P250P243-H248 HydrophobicContact CB-CB 4.43Å; D245-H248 PolarHBondContact N-ND1 3Å; D245-H248 PolarHBondContact O-N 3Å; H248-P250 WeakPolarHBondContact O-CD 3.49Å
249I86.8Confident79.5Confident3 Ų376 Ų762%0.01535%0.349CS..SBendtrans-67.2123.6166.7-55.4173.4000106.9L210 P243 D251 F253 K254L210-I249 HydrophobicContact CD2-CD1 4.08Å; L210-I249 HydrophobicContact CD2-CG1 4.07Å; L210-I249 HydrophobicContact CD2-CG2 4.28Å; P243-I249 HydrophobicContact CB-CG1 4.44Å; I249-D251 PolarHBondContact O-N 3.39Å; I249-F253 HydrophobicContact CG2-CB 4.02Å; I249-K254 HydrophobicContact CG2-CB 4.26Å
250P84.3Confident77.1Confident41 Ų4184.5 Ų84.527%0.26639%0.389SS..  trans-50.5135.9174.8-29.936.5000112.1H248 E252 F253 K254H248-P250 WeakPolarHBondContact O-CD 3.49Å; P250-E252 HydrophobicContact CB-CG 3.67Å; P250-E252 PolarHBondContact O-N 3.14Å; P250-E252 VanDerWaalsContact O-N 3.17Å; P250-F253 HydrophobicContact CB-CD2 3.69Å; P250-F253 HydrophobicContact CB-CE2 3.79Å; P250-F253 HydrophobicContact CB-CG 4.25Å; P250-F253 HydrophobicContact CB-CZ 4.4Å; P250-F253 HydrophobicContact CG-CD2 3.71Å; P250-F253 HydrophobicContact CG-CE2 3.56Å; P250-F253 HydrophobicContact CG-CZ 4.46Å; P250-F253 WeakPolarHBondContact O-CB 3.49Å; P250-F253 PolarHBondContact O-N 3.28Å; P250-K254 PolarHBondContact O-N 3.12Å
251D79Confident74.6Confident111 Ų11184.6 Ų84.659%0.59441%0.408SS*.Hα-helixtrans-58.2-34.2-174.1-78.8-36000112.5I249 F253 K254 W255I249-D251 PolarHBondContact O-N 3.39Å; D251-F253 PolarHBondContact O-N 3.47Å; D251-F253 VanDerWaalsContact O-N 3.17Å; D251-K254 PolarHBondContact O-N 3.03Å; D251-K254 VanDerWaalsContact O-N 3.11Å; D251-W255 VanDerWaalsContact O-CD1 3.25Å; D251-W255 PolarHBondContact O-N 2.89Å; D251-W255 VanDerWaalsContact O-N 3.12Å; D251-W255 PolarHBondContact OD1-NE1 3.4Å
252E77.5Confident72.2Confident96 Ų9685.4 Ų85.445%0.44942%0.42SS..Hα-helixtrans-57.4-23.2173.754.8-173.7-136.100114.7W59 P250W59-E252 HydrophobicContact CH2-CB 4.02Å; W59-E252 VanDerWaalsContact CH2-CD 3.45Å; W59-E252 HydrophobicContact CH2-CG 4.22Å; W59-E252 WeakPolarHBondContact CH2-OE2 3.37Å; W59-E252 HydrophobicContact CZ3-CB 3.62Å; W59-E252 HydrophobicContact CZ3-CG 3.87Å; P250-E252 HydrophobicContact CB-CG 3.67Å; P250-E252 PolarHBondContact O-N 3.14Å; P250-E252 VanDerWaalsContact O-N 3.17Å
253F80.1Confident69.5Low18 Ų1883.3 Ų83.38%0.07943%0.427CS..Hα-helixtrans-99.7-25.1177-53.4-25.9000112.6W59 L66 I69 L210 M239 I249 P250 D251W59-F253 HydrophobicContact CZ3-CE1 4.1Å; L66-F253 HydrophobicContact CD1-CB 4.17Å; L66-F253 HydrophobicContact CD2-CB 3.63Å; L66-F253 HydrophobicContact CD2-CD1 3.43Å; L66-F253 VanDerWaalsContact CD2-CD1 3.43Å; L66-F253 HydrophobicContact CD2-CD2 3.53Å; L66-F253 HydrophobicContact CD2-CE1 3.96Å; L66-F253 HydrophobicContact CD2-CE2 4.02Å; L66-F253 HydrophobicContact CD2-CG 3.23Å; L66-F253 HydrophobicContact CD2-CZ 4.24Å; L66-F253 HydrophobicContact CG-CB 3.95Å; L66-F253 HydrophobicContact CG-CD1 4.12Å; L66-F253 HydrophobicContact CG-CG 4.02Å; I69-F253 HydrophobicContact CD1-CD1 4.04Å; I69-F253 HydrophobicContact CD1-CE1 3.47Å; I69-F253 VanDerWaalsContact CD1-CE1 3.47Å; I69-F253 HydrophobicContact CD1-CZ 4.48Å; L210-F253 HydrophobicContact CD1-CD2 4.25Å; M239-F253 HydrophobicContact CE-CE1 4.33Å; M239-F253 HydrophobicContact CE-CE2 4.28Å; M239-F253 HydrophobicContact CE-CZ 3.93Å; M239-F253 HydrophobicContact SD-CD2 4.46Å; M239-F253 HydrophobicContact SD-CE2 3.64Å; M239-F253 HydrophobicContact SD-CZ 3.79Å; I249-F253 HydrophobicContact CG2-CB 4.02Å; P250-F253 HydrophobicContact CB-CD2 3.69Å; P250-F253 HydrophobicContact CB-CE2 3.79Å; P250-F253 HydrophobicContact CB-CG 4.25Å; P250-F253 HydrophobicContact CB-CZ 4.4Å; P250-F253 HydrophobicContact CG-CD2 3.71Å; P250-F253 HydrophobicContact CG-CE2 3.56Å; P250-F253 HydrophobicContact CG-CZ 4.46Å; P250-F253 WeakPolarHBondContact O-CB 3.49Å; P250-F253 PolarHBondContact O-N 3.28Å; D251-F253 PolarHBondContact O-N 3.47Å; D251-F253 VanDerWaalsContact O-N 3.17Å
254K75.4Confident67.3Low34 Ų3488.4 Ų88.415%0.14845%0.453CS..Hα-helixtrans-84.3-39.1-171.3-173.2171.7-179.9168.50112.5Q246 I249 P250 D251 P311 R312Q246-K254 PolarHBondContact O-NZ 3.18Å; I249-K254 HydrophobicContact CG2-CB 4.26Å; P250-K254 PolarHBondContact O-N 3.12Å; D251-K254 PolarHBondContact O-N 3.03Å; D251-K254 VanDerWaalsContact O-N 3.11Å; K254-P311 HydrophobicContact CD-CB 4.46Å; K254-P311 HydrophobicContact CG-CB 3.71Å; K254-P311 WeakPolarHBondContact O-CA 3.26Å; K254-R312 PolarHBondContact O-N 3.16Å
255W70.6Confident64.5Low46 Ų4685 Ų8517%0.17444%0.44CS..SBendtrans-110.3153-170.1-49.7112.1000112.5D251 H259 K309 P311D251-W255 VanDerWaalsContact O-CD1 3.25Å; D251-W255 PolarHBondContact O-N 2.89Å; D251-W255 VanDerWaalsContact O-N 3.12Å; D251-W255 PolarHBondContact OD1-NE1 3.4Å; W255-H259 HydrophobicContact CB-CB 3.97Å; W255-H259 AromaticContact CD2-CD2 3.83Å; W255-H259 AromaticContact CD2-NE2 3.87Å; W255-H259 AromaticContact CE3-CD2 3.59Å; W255-H259 AromaticContact CE3-NE2 3.33Å; W255-H259 VanDerWaalsContact CE3-NE2 3.33Å; W255-H259 HydrophobicContact CG-CB 4.28Å; W255-H259 AromaticContact CG-CD2 3.95Å; W255-H259 AromaticContact CZ3-NE2 3.71Å; W255-K309 WeakPolarHBondContact CZ3-O 3.37Å; W255-P311 HydrophobicContact CZ3-CB 4.09Å
256S62.2Low62.4Low23 Ų2385.1 Ų85.116%0.16145%0.445CS..  trans-65.4138.4156.8-33.90000107.7D258 H259 R312S256-D258 PolarHBondContact O-N 3.31Å; S256-H259 PolarHBondContact O-N 2.89Å; S256-R312 PolarHBondContact OG-NE 3.09Å; S256-R312 PolarHBondContact OG-NH2 2.88Å
257Y51.6Low60.2Low169 Ų16987.4 Ų87.466%0.66347%0.467SS*.THydrogen-bonded Turntrans-55.9-15.6-173.1-172-96.8000115.2K60 H259K60-Y257 HydrophobicContact CG-CE2 4.32Å; Y257-H259 PolarHBondContact O-N 3.25Å
258D50.8Low58.2Low157 Ų15782.4 Ų82.484%0.8447%0.467SS*.THydrogen-bonded Turntrans-72.715.8176.5-60.1-32000114.5S256 E260S256-D258 PolarHBondContact O-N 3.31Å; D258-E260 PolarHBondContact O-N 3.47Å
259H50.8Low56.1Low50 Ų5080.6 Ų80.623%0.23146%0.46CS..  trans-88.7103.7-176.8-125.6-78.1000111.8W255 S256 Y257 K309W255-H259 HydrophobicContact CB-CB 3.97Å; W255-H259 AromaticContact CD2-CD2 3.83Å; W255-H259 AromaticContact CD2-NE2 3.87Å; W255-H259 AromaticContact CE3-CD2 3.59Å; W255-H259 AromaticContact CE3-NE2 3.33Å; W255-H259 VanDerWaalsContact CE3-NE2 3.33Å; W255-H259 HydrophobicContact CG-CB 4.28Å; W255-H259 AromaticContact CG-CD2 3.95Å; W255-H259 AromaticContact CZ3-NE2 3.71Å; S256-H259 PolarHBondContact O-N 2.89Å; Y257-H259 PolarHBondContact O-N 3.25Å; H259-K309 PolarHBondContact NE2-O 2.99Å
260E40Very low53.9Low184 Ų18486 Ų8686%0.8649%0.489SS*.  trans-78.5121.3143.9-73.1-174.7169.200107.1D258 G262D258-E260 PolarHBondContact O-N 3.47Å; E260-G262 PolarHBondContact O-N 3.37Å
261C38.5Very low51.8Low133 Ų13391.6 Ų91.690%0.89952%0.515SS*.  trans-60.281.5179.7-1730000110.9
262G39.4Very low49.9Very low37 Ų3793.9 Ų93.938%0.38153%0.526SS..  trans-98.7131.2173.200000109.4E260 L264E260-G262 PolarHBondContact O-N 3.37Å; G262-L264 PolarHBondContact O-N 2.99Å
263S38Very low48Very low100 Ų10092.6 Ų92.670%0.69954%0.538SS*.  trans-42.3127.8176.656.90000112.2S265S263-S265 PolarHBondContact O-N 3.42Å
264L44.1Very low45.8Very low108 Ų108100.3 Ų100.357%0.56558%0.581SS**  trans-69.140.9173.5-76159.9000112.5G262 P266 K309G262-L264 PolarHBondContact O-N 2.99Å; L264-P266 WeakPolarHBondContact O-CD 3.35Å; L264-K309 HydrophobicContact CD2-CB 3.82Å
265S33.3Very low44Very low53 Ų53102.2 Ų102.237%0.37161%0.61SS.*  trans-80.6110.7173.6143.90000108.5S263 S267S263-S265 PolarHBondContact O-N 3.42Å; S265-S267 PolarHBondContact O-N 2.9Å
266P43.2Very low42.3Very low74 Ų74107.2 Ų107.248%0.48164%0.64SS.*G310 helixtrans-66.3-15177.6-17.433.4000112.7L264 A268 L269L264-P266 WeakPolarHBondContact O-CD 3.35Å; P266-A268 PolarHBondContact O-N 3.49Å; P266-A268 VanDerWaalsContact O-N 3.11Å; P266-L269 PolarHBondContact O-N 3.27Å
267S45.1Very low40.8Very low105 Ų105112.3 Ų112.373%0.73467%0.666SS**G310 helixtrans-60.7-22.7-176.3-51.60000113.9S265S265-S267 PolarHBondContact O-N 2.9Å
268A43.1Very low40Very low91 Ų91115.5 Ų115.575%0.75268%0.678SS**G310 helixtrans-87.3-11.417800000114.1P266P266-A268 PolarHBondContact O-N 3.49Å; P266-A268 VanDerWaalsContact O-N 3.11Å
269L43.3Very low39Very low59 Ų59115.2 Ų115.231%0.30968%0.676SS.*THydrogen-bonded Turntrans-112.3-6.7-170.4-85.7161.7000114.7P266 I271 V305P266-L269 PolarHBondContact O-N 3.27Å; L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.32Å; L269-V305 HydrophobicContact CD1-CB 4.16Å; L269-V305 HydrophobicContact CD1-CG1 3.6Å; L269-V305 HydrophobicContact CD2-CB 3.87Å; L269-V305 HydrophobicContact CD2-CG1 3.53Å; L269-V305 HydrophobicContact CD2-CG2 4.05Å; L269-V305 HydrophobicContact CG-CG1 4.23Å
270L41.6Very low38.3Very low116 Ų116119.6 Ų119.661%0.60771%0.707SS**  trans-78.777.7176.9-73166.1000110.8L272L270-L272 HydrophobicContact CD2-CD2 4.33Å
271I39.8Very low38Very low160 Ų160119.2 Ų119.282%0.82171%0.705SS**  trans-92.192.2152.6-58-179.7000105.6L269 G273L269-I271 VanDerWaalsContact C-N 3.31Å; L269-I271 PolarHBondContact O-N 3.32Å; I271-G273 PolarHBondContact O-N 2.95Å
272L39.6Very low37.9Very low159 Ų159119.7 Ų119.783%0.83270%0.698SS**  trans-66.6102.1172.1-67.7167.3000107.8L270L270-L272 HydrophobicContact CD2-CD2 4.33Å
273G37.9Very low37.9Very low68 Ų68126.8 Ų126.870%0.70172%0.721SS**  trans-87.9121.3169.200000110I271 G275I271-G273 PolarHBondContact O-N 2.95Å; G273-G275 PolarHBondContact O-N 3.37Å
274D32.6Very low37.9Very low180 Ų180129.6 Ų129.696%0.96373%0.729SS**  trans-60.7116.5167.6-91.2-29.7000109.8
275G39Very low37.9Very low75 Ų75132.5 Ų132.577%0.77375%0.745SS**  trans-144.2106.8-178.200000112.4G273G273-G275 PolarHBondContact O-N 3.37Å
276N33.7Very low38.4Very low151 Ų151133 Ų13381%0.80775%0.748SS**  trans-55.9141-176.3-87.2-34.4000116.7
277N31.4Very low38.9Very low130 Ų130136.4 Ų136.470%0.69576%0.762SS**  trans23.3117.1138.1-72.3-17.5000120.1
278Y34.7Very low39.2Very low235 Ų235136.9 Ų136.992%0.92275%0.751SS**  trans-141.8103.6138.4-73.8-74.8000110.5
279L29.9Very low39.4Very low152 Ų152136.5 Ų136.580%0.79674%0.741SS**  trans-82.8128.2164.7-76.5158.9000108.6
280T37.1Very low39.7Very low142 Ų142141 Ų14187%0.87176%0.761SS**  trans-118.2113.8159.349.70000109.1
281Q33.7Very low39.9Very low175 Ų175139.6 Ų139.682%0.81875%0.752SS**  trans-74.7162.3168.6-72.7175.9-25.800110.6
282D34.7Very low40.6Very low143 Ų143138.1 Ų138.177%0.76574%0.739SS**  trans87.1101.5168-59.2-25.9000117.7
283E39.4Very low41.4Very low186 Ų186134.6 Ų134.687%0.86972%0.724SS**  -164115.4110.7-100.3-178.6-170.300110.2
284N39.5Very low42.2Very low160 Ų160133.9 Ų133.986%0.85671%0.712SS**  trans-66.7147.5-179.6-77.9-48000112.1
285N43.6Very low43.4Very low168 Ų168129.5 Ų129.590%0.89868%0.682SS**  trans9570.3175-13921.1000115.5
286C43.7Very low44.4Very low65 Ų65128.8 Ų128.844%0.43967%0.669SS.*  trans-145.3133.6164.2-168.60000108.7F288C286-F288 PolarHBondContact O-N 2.86Å
287D54.2Low45.6Very low144 Ų144126.3 Ų126.377%0.7766%0.655SS**SBendtrans-61.1-15.2-173.6-67.6-34.7000114.2
288F51.3Low47Very low115 Ų115123.7 Ų123.750%0.50464%0.644SS.*  trans-140.680.7-179.4-57.6-78.3000111.8C286 E290 M291C286-F288 PolarHBondContact O-N 2.86Å; F288-E290 VanDerWaalsContact C-N 3.29Å; F288-E290 PolarHBondContact O-N 3.3Å; F288-M291 HydrophobicContact CB-CG 4.48Å; F288-M291 PolarHBondContact O-N 3.26Å
289P46.3Very low48.4Very low84 Ų84117.7 Ų117.755%0.54562%0.624SS.*Hα-helixtrans-65.2-30.2-179.123.9-31.1000113.2M291 K292P289-M291 VanDerWaalsContact C-N 3.27Å; P289-M291 PolarHBondContact O-N 3.41Å; P289-K292 PolarHBondContact O-N 3Å; P289-K292 VanDerWaalsContact O-N 3.14Å
290E49.6Very low49.9Very low154 Ų154114.7 Ų114.772%0.7262%0.622SS**Hα-helixtrans-62.2-33.3-178-62.5148.4162.800112.7F288 A294F288-E290 VanDerWaalsContact C-N 3.29Å; F288-E290 PolarHBondContact O-N 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.4Å; E290-A294 PolarHBondContact O-N 3.35Å
291M47.3Very low51.1Low85 Ų85115.5 Ų115.542%0.41962%0.615SS.*Hα-helixtrans-61-47.7175.6-83.2-169.615600110.3F288 P289 T293 W295F288-M291 HydrophobicContact CB-CG 4.48Å; F288-M291 PolarHBondContact O-N 3.26Å; P289-M291 VanDerWaalsContact C-N 3.27Å; P289-M291 PolarHBondContact O-N 3.41Å; M291-T293 PolarHBondContact O-N 2.97Å; M291-W295 VanDerWaalsContact C-CD1 3.44Å; M291-W295 VanDerWaalsContact O-CB 3.3Å; M291-W295 WeakPolarHBondContact O-CB 3.38Å; M291-W295 PolarHBondContact O-N 3.45Å; M291-W295 VanDerWaalsContact O-N 3.09Å
292K54.4Low52.5Low129 Ų129110.2 Ų110.256%0.56159%0.588SS**Hα-helixtrans-63.6-42.6-173-69.6-173.3-179.4179.70112.8P289 A296P289-K292 PolarHBondContact O-N 3Å; P289-K292 VanDerWaalsContact O-N 3.14Å; K292-A296 PolarHBondContact O-N 3.4Å
293T54.8Low53.9Low85 Ų85106.1 Ų106.152%0.52157%0.568SS.*Hα-helixtrans-72.9-48.9-177-440000111.5M291 W295 A296 D297M291-T293 PolarHBondContact O-N 2.97Å; T293-W295 VanDerWaalsContact C-N 3.29Å; T293-W295 PolarHBondContact O-N 2.97Å; T293-A296 PolarHBondContact O-N 3.47Å; T293-D297 PolarHBondContact O-N 2.83Å
294A55.1Low55Low53 Ų53101.5 Ų101.544%0.43855%0.554SS.*Hα-helixtrans-63.3-36.8-178.500000112.2E290 D297 V298E290-A294 WeakPolarHBondContact O-CB 3.4Å; E290-A294 PolarHBondContact O-N 3.35Å; A294-D297 PolarHBondContact O-N 2.69Å; A294-V298 WeakPolarHBondContact O-CG2 3.22Å; A294-V298 PolarHBondContact O-N 3.39Å; A294-V298 VanDerWaalsContact O-N 3.12Å
295W58.1Low55.9Low89 Ų8996.4 Ų96.434%0.33753%0.529SS..Hα-helixtrans-69.5-35.5178.4-68.6129.5000113.1P182 N184 M291 T293 D297 V298 E299P182-W295 HydrophobicContact CB-CD2 4.44Å; P182-W295 HydrophobicContact CB-CH2 4.12Å; P182-W295 HydrophobicContact CB-CZ2 3.83Å; P182-W295 HydrophobicContact CB-CZ3 4.49Å; P182-W295 HydrophobicContact CG-CD2 4.06Å; P182-W295 VanDerWaalsContact CG-CE2 3.48Å; P182-W295 HydrophobicContact CG-CG 4.41Å; P182-W295 HydrophobicContact CG-CH2 4.48Å; P182-W295 HydrophobicContact CG-CZ2 3.75Å; N184-W295 WeakPolarHBondContact ND2-CH2 3.48Å; N184-W295 VanDerWaalsContact OD1-CH2 3.29Å; N184-W295 WeakPolarHBondContact OD1-CH2 3.3Å; N184-W295 WeakPolarHBondContact OD1-CZ2 3.37Å; M291-W295 VanDerWaalsContact C-CD1 3.44Å; M291-W295 VanDerWaalsContact O-CB 3.3Å; M291-W295 WeakPolarHBondContact O-CB 3.38Å; M291-W295 PolarHBondContact O-N 3.45Å; M291-W295 VanDerWaalsContact O-N 3.09Å; T293-W295 VanDerWaalsContact C-N 3.29Å; T293-W295 PolarHBondContact O-N 2.97Å; W295-D297 VanDerWaalsContact C-N 3.34Å; W295-V298 HydrophobicContact CE3-CB 4.46Å; W295-V298 PolarHBondContact O-N 3.39Å; W295-E299 WeakPolarHBondContact O-CB 3.41Å; W295-E299 PolarHBondContact O-N 2.85Å
296A60.2Low56.7Low60 Ų6091.2 Ų91.250%0.49650%0.501SS..Hα-helixtrans-63.7-41175.400000111.6K292 T293 E299 A300K292-A296 PolarHBondContact O-N 3.4Å; T293-A296 PolarHBondContact O-N 3.47Å; A296-E299 PolarHBondContact O-N 3.47Å; A296-A300 PolarHBondContact O-N 2.89Å
297D58.6Low57.6Low98 Ų9890.7 Ų90.752%0.52449%0.492SS..Hα-helixtrans-66.7-40177.8-66.3-25.2000112.1T293 A294 W295 A300 Q301T293-D297 PolarHBondContact O-N 2.83Å; A294-D297 PolarHBondContact O-N 2.69Å; W295-D297 VanDerWaalsContact C-N 3.34Å; D297-A300 PolarHBondContact O-N 2.99Å; D297-Q301 PolarHBondContact O-N 3.13Å
298V60.8Low58.1Low76 Ų7690.5 Ų90.546%0.46149%0.486SS..Hα-helixtrans-63.8-43.5175.2171.50000111A294 W295 A300 Q301 R302A294-V298 WeakPolarHBondContact O-CG2 3.22Å; A294-V298 PolarHBondContact O-N 3.39Å; A294-V298 VanDerWaalsContact O-N 3.12Å; W295-V298 HydrophobicContact CE3-CB 4.46Å; W295-V298 PolarHBondContact O-N 3.39Å; V298-A300 VanDerWaalsContact C-N 3.29Å; V298-A300 PolarHBondContact O-N 2.99Å; V298-Q301 PolarHBondContact O-N 3.49Å; V298-Q301 VanDerWaalsContact O-N 3.15Å; V298-R302 PolarHBondContact O-N 2.82Å
299E63.3Low58.8Low108 Ų10888.4 Ų88.451%0.50548%0.477SS..Hα-helixtrans-62.7-38.3178.6-167.468.3-163.500111.4W295 A296 Q301 R302W295-E299 WeakPolarHBondContact O-CB 3.41Å; W295-E299 PolarHBondContact O-N 2.85Å; A296-E299 PolarHBondContact O-N 3.47Å; E299-Q301 PolarHBondContact O-N 2.88Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.95Å; E299-R302 IonicContact OE1-CZ 2.78Å; E299-R302 IonicContact OE1-NE 3.13Å; E299-R302 IonicContact OE1-NH1 2.86Å; E299-R302 PolarHBondContact OE1-NH1 3.39Å; E299-R302 WeakPolarHBondContact OE2-CD 3.05Å; E299-R302 IonicContact OE2-CZ 3.07Å; E299-R302 IonicContact OE2-NE 2.72Å; E299-R302 IonicContact OE2-NH1 2.63Å; E299-R302 PolarHBondContact OE2-NH1 2.73Å
300A61.6Low60.1Low89 Ų8988 Ų8874%0.73647%0.468SS*.Hα-helixtrans-63.9-25.6176.600000113.5A296 D297 V298A296-A300 PolarHBondContact O-N 2.89Å; D297-A300 PolarHBondContact O-N 2.99Å; V298-A300 VanDerWaalsContact C-N 3.29Å; V298-A300 PolarHBondContact O-N 2.99Å
301Q62.1Low61.6Low159 Ų15982.1 Ų82.174%0.74344%0.444SS*.THydrogen-bonded Turntrans-92-0.9178.2-66.9-177.92.400113.8D297 V298 E299 V303D297-Q301 PolarHBondContact O-N 3.13Å; V298-Q301 PolarHBondContact O-N 3.49Å; V298-Q301 VanDerWaalsContact O-N 3.15Å; E299-Q301 PolarHBondContact O-N 2.88Å; Q301-V303 PolarHBondContact O-N 3.35Å
302R63.6Low63.2Low64 Ų6483.6 Ų83.624%0.24245%0.445CS..  trans-65.1119-179.8-76175.672.3-168.6-19.4110.5P160 V298 E299 P304 E307P160-R302 VanDerWaalsContact CA-NH2 3.31Å; P160-R302 PolarHBondContact O-NH2 3.02Å; V298-R302 PolarHBondContact O-N 2.82Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.95Å; E299-R302 IonicContact OE1-CZ 2.78Å; E299-R302 IonicContact OE1-NE 3.13Å; E299-R302 IonicContact OE1-NH1 2.86Å; E299-R302 PolarHBondContact OE1-NH1 3.39Å; E299-R302 WeakPolarHBondContact OE2-CD 3.05Å; E299-R302 IonicContact OE2-CZ 3.07Å; E299-R302 IonicContact OE2-NE 2.72Å; E299-R302 IonicContact OE2-NH1 2.63Å; E299-R302 PolarHBondContact OE2-NH1 2.73Å; R302-P304 VanDerWaalsContact O-CD 3.24Å; R302-P304 WeakPolarHBondContact O-CD 3.45Å; R302-E307 WeakPolarHBondContact CB-OE1 3.45Å; R302-E307 IonicContact CZ-OE1 2.74Å; R302-E307 IonicContact NE-OE1 2.73Å; R302-E307 PolarHBondContact NE-OE1 3.48Å; R302-E307 IonicContact NH2-OE1 3.17Å; R302-E307 PolarHBondContact NH2-OE1 3.12Å; R302-E307 IonicContact NH2-OE2 2.73Å; R302-E307 PolarHBondContact NH2-OE2 3.5Å
303V63.4Low64.9Low57 Ų5777.7 Ų77.735%0.34542%0.419SS..  trans-81.3110.2179.6-177.10000108.6Q301 V305 I306Q301-V303 PolarHBondContact O-N 3.35Å; V303-V305 HydrophobicContact CG1-CB 4.19Å; V303-V305 HydrophobicContact CG1-CG2 4.39Å; V303-V305 PolarHBondContact O-N 3.4Å; V303-I306 HydrophobicContact CB-CD1 4.01Å; V303-I306 HydrophobicContact CB-CG1 4.07Å; V303-I306 HydrophobicContact CG1-CD1 4.43Å; V303-I306 HydrophobicContact CG1-CG1 4.14Å; V303-I306 HydrophobicContact CG2-CD1 4.39Å; V303-I306 PolarHBondContact O-N 3.09Å
304P63.5Low66.7Low89 Ų8973.9 Ų73.958%0.57840%0.396SS*.Hα-helixtrans-57.9-28.9-174.5-23.333.5000112.8R302 I306 E307 Q308R302-P304 VanDerWaalsContact O-CD 3.24Å; R302-P304 WeakPolarHBondContact O-CD 3.45Å; P304-I306 PolarHBondContact O-N 3.05Å; P304-E307 PolarHBondContact O-N 3.19Å; P304-Q308 PolarHBondContact O-N 3.09Å
305V59Low68.6Low53 Ų5372 Ų7232%0.32138%0.378SS..Hα-helixtrans-68.7-33.1-178.5-168.40000112.5L269 V303 K309L269-V305 HydrophobicContact CD1-CB 4.16Å; L269-V305 HydrophobicContact CD1-CG1 3.6Å; L269-V305 HydrophobicContact CD2-CB 3.87Å; L269-V305 HydrophobicContact CD2-CG1 3.53Å; L269-V305 HydrophobicContact CD2-CG2 4.05Å; L269-V305 HydrophobicContact CG-CG1 4.23Å; V303-V305 HydrophobicContact CG1-CB 4.19Å; V303-V305 HydrophobicContact CG1-CG2 4.39Å; V303-V305 PolarHBondContact O-N 3.4Å; V305-K309 WeakPolarHBondContact O-CG 3.39Å
306I60Low70.5Confident60 Ų6067.8 Ų67.831%0.30836%0.362SS..Hα-helixtrans-70.6-40.3178.2-62179000109.3V303 P304 Q308 K309 M310V303-I306 HydrophobicContact CB-CD1 4.01Å; V303-I306 HydrophobicContact CB-CG1 4.07Å; V303-I306 HydrophobicContact CG1-CD1 4.43Å; V303-I306 HydrophobicContact CG1-CG1 4.14Å; V303-I306 HydrophobicContact CG2-CD1 4.39Å; V303-I306 PolarHBondContact O-N 3.09Å; P304-I306 PolarHBondContact O-N 3.05Å; I306-Q308 VanDerWaalsContact C-N 3.34Å; I306-Q308 PolarHBondContact O-N 3.43Å; I306-K309 CarbonylContact O-C 3.44Å; I306-K309 WeakPolarHBondContact O-CA 3.3Å; I306-K309 PolarHBondContact O-N 3.23Å; I306-M310 HydrophobicContact CG2-CE 3.88Å; I306-M310 HydrophobicContact CG2-CG 4.47Å; I306-M310 WeakPolarHBondContact O-CG 3.37Å; I306-M310 PolarHBondContact O-N 3Å; I306-M310 VanDerWaalsContact O-N 3.13Å
307E63.3Low72.2Confident54 Ų5466.7 Ų66.725%0.25235%0.35SS..Hα-helixtrans-64.6-37.3-177.9-61-172.8179.400113.1P160 R302 P304 K309 M310P160-E307 HydrophobicContact CB-CB 3.71Å; P160-E307 HydrophobicContact CB-CG 3.8Å; P160-E307 HydrophobicContact CG-CB 4.36Å; R302-E307 WeakPolarHBondContact CB-OE1 3.45Å; R302-E307 IonicContact CZ-OE1 2.74Å; R302-E307 IonicContact NE-OE1 2.73Å; R302-E307 PolarHBondContact NE-OE1 3.48Å; R302-E307 IonicContact NH2-OE1 3.17Å; R302-E307 PolarHBondContact NH2-OE1 3.12Å; R302-E307 IonicContact NH2-OE2 2.73Å; R302-E307 PolarHBondContact NH2-OE2 3.5Å; P304-E307 PolarHBondContact O-N 3.19Å; E307-K309 PolarHBondContact O-N 3.12Å; E307-M310 PolarHBondContact O-N 2.87Å
308Q63.3Low74Confident140 Ų14063.5 Ų63.565%0.65434%0.335SS*.Hα-helixtrans-63.4-28.5173.7-71.1177.6-400112.4P304 I306P304-Q308 PolarHBondContact O-N 3.09Å; I306-Q308 VanDerWaalsContact C-N 3.34Å; I306-Q308 PolarHBondContact O-N 3.43Å
309K66.2Low75.7Confident71 Ų7164.1 Ų64.131%0.30934%0.341SS..Hα-helixtrans-90.4-9-179.5-67.1-176.3178.5-172.10113.8W255 H259 L264 V305 I306 E307W255-K309 WeakPolarHBondContact CZ3-O 3.37Å; H259-K309 PolarHBondContact NE2-O 2.99Å; L264-K309 HydrophobicContact CD2-CB 3.82Å; V305-K309 WeakPolarHBondContact O-CG 3.39Å; I306-K309 CarbonylContact O-C 3.44Å; I306-K309 WeakPolarHBondContact O-CA 3.3Å; I306-K309 PolarHBondContact O-N 3.23Å; E307-K309 PolarHBondContact O-N 3.12Å
310M73.7Confident77.3Confident74 Ų7462.4 Ų62.437%0.36533%0.331SS..SBendtrans-74.1148.7179.5-76.6-173.6167.400111.7I306 E307I306-M310 HydrophobicContact CG2-CE 3.88Å; I306-M310 HydrophobicContact CG2-CG 4.47Å; I306-M310 WeakPolarHBondContact O-CG 3.37Å; I306-M310 PolarHBondContact O-N 3Å; I306-M310 VanDerWaalsContact O-N 3.13Å; E307-M310 PolarHBondContact O-N 2.87Å
311P80.9Confident79Confident32 Ų3258.6 Ų58.621%0.20830%0.298CS..  trans-63.4137.6171.228.2-34000109.6L213 K254 W255L213-P311 HydrophobicContact CD1-CG 4.17Å; L213-P311 WeakPolarHBondContact CD2-O 3.39Å; K254-P311 HydrophobicContact CD-CB 4.46Å; K254-P311 HydrophobicContact CG-CB 3.71Å; K254-P311 WeakPolarHBondContact O-CA 3.26Å; W255-P311 HydrophobicContact CZ3-CB 4.09Å
312R81.9Confident80.6Confident115 Ų11554.7 Ų54.743%0.43428%0.282SS..SBendtrans-79.9-29.5178.1-69.8-170.7178.2-169.22.2112.8L213 K254 S256L213-R312 PolarHBondContact N-O 3.35Å; K254-R312 PolarHBondContact O-N 3.16Å; S256-R312 PolarHBondContact OG-NE 3.09Å; S256-R312 PolarHBondContact OG-NH2 2.88Å
313V88.8Confident82.2Confident5 Ų556.1 Ų56.13%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-124.6141.7-169.2177.30000109.1L66 L210 N211 M212L66-V313 HydrophobicContact CD1-CB 4.48Å; L66-V313 HydrophobicContact CD1-CG1 3.87Å; L66-V313 HydrophobicContact CD1-CG2 4.01Å; L210-V313 HydrophobicContact CB-CG1 3.73Å; L210-V313 HydrophobicContact CD2-CG1 4.39Å; N211-V313 CarbonylContact O-C 3.56Å; N211-V313 WeakPolarHBondContact O-CA 3.31Å; N211-V313 VanDerWaalsContact O-CG1 3.29Å; N211-V313 WeakPolarHBondContact O-CG1 3.44Å; M212-V313 HydrophobicContact CE-CG2 3.96Å
314D92.5Very high83.8Confident5 Ų553.4 Ų53.43%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-120.2160168.269.91.8000111.7L210 N211 L213 G214 S215 S216L210-D314 WeakPolarHBondContact CA-O 3.41Å; N211-D314 PolarHBondContact N-O 3.05Å; N211-D314 VanDerWaalsContact N-O 3.16Å; N211-D314 PolarHBondContact O-N 3.36Å; L213-D314 HydrophobicContact CD1-CB 4.13Å; G214-D314 PolarHBondContact N-OD2 2.94Å; S215-D314 WeakPolarHBondContact CB-OD1 3.26Å; S215-D314 PolarHBondContact N-OD2 3.37Å; S215-D314 PolarHBondContact OG-OD1 3.44Å; S216-D314 VanDerWaalsContact CB-OD2 3.3Å; S216-D314 WeakPolarHBondContact CB-OD2 3.45Å; S216-D314 PolarHBondContact N-OD1 2.92Å; S216-D314 PolarHBondContact N-OD2 3.45Å; S216-D314 PolarHBondContact OG-OD2 3.23Å
315Y95.8Very high85.4Confident15 Ų1549.1 Ų49.16%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-97121.1177.1172.4-117000110.3V204 S206 I209 L210 S216 P243 Q246 P318V204-Y315 HydrophobicContact CG2-CD2 4.38Å; V204-Y315 HydrophobicContact CG2-CE2 3.57Å; S206-Y315 PolarHBondContact OG-OH 2.97Å; I209-Y315 CarbonylContact O-C 3.59Å; I209-Y315 WeakPolarHBondContact O-CA 3.36Å; I209-Y315 WeakPolarHBondContact O-CD2 3.35Å; L210-Y315 HydrophobicContact CD2-CD2 4Å; L210-Y315 HydrophobicContact CD2-CG 4.41Å; S216-Y315 WeakPolarHBondContact CB-O 3.47Å; P243-Y315 HydrophobicContact CB-CD2 4.49Å; P243-Y315 HydrophobicContact CB-CG 4.46Å; P243-Y315 HydrophobicContact CG-CD2 3.63Å; P243-Y315 HydrophobicContact CG-CE2 3.66Å; P243-Y315 HydrophobicContact CG-CG 4.07Å; Q246-Y315 PolarHBondContact NE2-O 3.39Å; Y315-P318 VanDerWaalsContact OH-CD 3.26Å; Y315-P318 WeakPolarHBondContact OH-CD 3.32Å
316T96.9Very high87.2Confident0 Ų046.6 Ų46.60%023%0.229CC..EExtended strand (participates in β ladder)trans-96.4117.5169.8-61.10000109.3G208 I209 S215 S216 A219 I321G208-T316 WeakPolarHBondContact CA-O 3.44Å; I209-T316 HydrophobicContact CG1-CG2 4.44Å; I209-T316 PolarHBondContact N-O 3.28Å; I209-T316 PolarHBondContact O-N 3.43Å; S215-T316 PolarHBondContact OG-OG1 3.17Å; S216-T316 VanDerWaalsContact CA-OG1 3.24Å; S216-T316 WeakPolarHBondContact CA-OG1 3.37Å; S216-T316 PolarHBondContact N-OG1 3.26Å; A219-T316 HydrophobicContact CB-CG2 3.49Å; A219-T316 VanDerWaalsContact CB-CG2 3.49Å; T316-I321 HydrophobicContact CG2-CD1 4.13Å; T316-I321 HydrophobicContact CG2-CG1 4.04Å
317S96.6Very high88.8Confident37 Ų3744.5 Ų44.526%0.25922%0.218SC..PPolyproline II helixtrans-61.1141.6178.31790000111.7C319 Y320S317-C319 PolarHBondContact O-N 3.13Å; S317-C319 VanDerWaalsContact O-N 3.08Å; S317-C319 PolarHBondContact OG-SG 3.42Å; S317-Y320 PolarHBondContact O-N 2.73Å; S317-Y320 VanDerWaalsContact O-N 3.13Å
318P96.5Very high90.3Very high31 Ų3144.9 Ų44.920%0.20122%0.222CC..G310 helixtrans-57.1-24177.324.3-36.7000113.6S206 Y315 Y320 I321 P333S206-P318 WeakPolarHBondContact O-CB 3.46Å; S206-P318 WeakPolarHBondContact O-CG 3.33Å; Y315-P318 VanDerWaalsContact OH-CD 3.26Å; Y315-P318 WeakPolarHBondContact OH-CD 3.32Å; P318-Y320 PolarHBondContact O-N 2.96Å; P318-I321 PolarHBondContact O-N 3.25Å; P318-I321 VanDerWaalsContact O-N 3.14Å; P318-P333 HydrophobicContact CB-CB 3.6Å; P318-P333 HydrophobicContact CB-CG 4.29Å
319C95.9Very high91.7Very high88 Ų8839 Ų3960%0.59520%0.199SC*.G310 helixtrans-65.4-20.2179.564.80000113.9S317S317-C319 PolarHBondContact O-N 3.13Å; S317-C319 VanDerWaalsContact O-N 3.08Å; S317-C319 PolarHBondContact OG-SG 3.42Å
320Y97Very high93.2Very high73 Ų7337.8 Ų37.829%0.28620%0.198SC..G310 helixtrans-96.7-1.4177.7-55-56.7000113.2M220 V229 S317 P318M220-Y320 HydrophobicContact CG-CD1 4.43Å; M220-Y320 HydrophobicContact CG-CD2 3.81Å; M220-Y320 HydrophobicContact CG-CE1 4.07Å; M220-Y320 HydrophobicContact CG-CE2 3.38Å; M220-Y320 HydrophobicContact CG-CG 4.32Å; M220-Y320 HydrophobicContact SD-CE2 4.31Å; V229-Y320 VanDerWaalsContact CB-O 3.25Å; V229-Y320 WeakPolarHBondContact CB-O 3.5Å; V229-Y320 WeakPolarHBondContact CG2-O 3.48Å; S317-Y320 PolarHBondContact O-N 2.73Å; S317-Y320 VanDerWaalsContact O-N 3.13Å; P318-Y320 PolarHBondContact O-N 2.96Å
321I97.3Very high94.2Very high8 Ų835.1 Ų35.14%0.04119%0.185CC..  trans-107122.8-175.8-60.1169.1000108.9I209 V231 T316 P318 L324 P333I209-I321 HydrophobicContact CG1-CD1 4.13Å; I209-I321 HydrophobicContact CG2-CD1 4.2Å; V231-I321 HydrophobicContact CB-CG2 4.49Å; V231-I321 HydrophobicContact CG2-CD1 4.11Å; V231-I321 HydrophobicContact CG2-CG1 4.1Å; V231-I321 HydrophobicContact CG2-CG2 3.81Å; T316-I321 HydrophobicContact CG2-CD1 4.13Å; T316-I321 HydrophobicContact CG2-CG1 4.04Å; P318-I321 PolarHBondContact O-N 3.25Å; P318-I321 VanDerWaalsContact O-N 3.14Å; I321-L324 HydrophobicContact CG2-CD1 3.86Å; I321-L324 HydrophobicContact CG2-CG 4.15Å; I321-P333 HydrophobicContact CB-CG 4.15Å; I321-P333 HydrophobicContact CG2-CG 4.22Å; I321-P333 WeakPolarHBondContact O-CG 3.17Å
322N96.7Very high94.9Very high77 Ų7736.8 Ų36.841%0.41219%0.194SC..SBendtrans-81.8-50.5177.1-64.394.3000111.5P228 V229 Y230P228-N322 VanDerWaalsContact CA-OD1 3.31Å; P228-N322 WeakPolarHBondContact CA-OD1 3.37Å; V229-N322 PolarHBondContact N-OD1 3.49Å; V229-N322 PolarHBondContact O-N 2.87Å; Y230-N322 HydrophobicContact CD1-CB 4.38Å; Y230-N322 HydrophobicContact CE1-CB 4.23Å
323Y96.9Very high95.5Very high94 Ų9432 Ų3237%0.36918%0.178SC..EExtended strand (participates in β ladder)trans-142.3139.1-179.3-63-57.4000111.9Y121 Y230 V231 V330 T332Y121-Y323 HydrophobicContact CE1-CD2 4.28Å; Y121-Y323 HydrophobicContact CE1-CE2 4.38Å; Y230-Y323 WeakPolarHBondContact CA-O 3.36Å; Y230-Y323 HydrophobicContact CD1-CD2 4.02Å; Y230-Y323 AromaticContact CE1-CD2 3.55Å; Y230-Y323 HydrophobicContact CE1-CD2 3.55Å; Y230-Y323 HydrophobicContact CE1-CE2 4.3Å; Y230-Y323 HydrophobicContact CE1-CG 4.47Å; V231-Y323 PolarHBondContact N-O 2.9Å; Y323-V330 HydrophobicContact CD1-CG1 3.98Å; Y323-V330 HydrophobicContact CG-CG1 3.93Å; Y323-T332 HydrophobicContact CD1-CG2 4.38Å; Y323-T332 HydrophobicContact CE1-CG2 4.21Å
324L97.3Very high95.8Very high0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-98.7115.7164.3-65.796.5000108.7V203 I209 V231 I321 T326 L331 P333 V336V203-L324 HydrophobicContact CB-CD2 4.46Å; V203-L324 HydrophobicContact CG1-CD2 3.53Å; V203-L324 HydrophobicContact CG2-CD2 4.04Å; I209-L324 HydrophobicContact CG2-CD2 4.24Å; V231-L324 HydrophobicContact CB-CG 4.3Å; V231-L324 CarbonylContact O-C 3.52Å; V231-L324 WeakPolarHBondContact O-CA 3.38Å; I321-L324 HydrophobicContact CG2-CD1 3.86Å; I321-L324 HydrophobicContact CG2-CG 4.15Å; L324-T326 HydrophobicContact CB-CG2 4.34Å; L324-L331 HydrophobicContact CB-CB 4.44Å; L324-L331 PolarHBondContact N-O 3.48Å; L324-L331 PolarHBondContact O-N 3.19Å; L324-P333 HydrophobicContact CD1-CB 4.27Å; L324-P333 HydrophobicContact CD1-CG 3.97Å; L324-V336 HydrophobicContact CD1-CG2 3.85Å; L324-V336 HydrophobicContact CD2-CG2 4.06Å; L324-V336 HydrophobicContact CG-CG2 4.44Å
325I97.2Very high95.9Very high0 Ų037.1 Ų37.10%022%0.216CC..EExtended strand (participates in β ladder)trans-99.7112.7-179.1-54.4175.4000107.6I114 N117 F118 Y121 Y230 V231 L232 A233 V330I114-I325 HydrophobicContact CG2-CG2 4.35Å; N117-I325 HydrophobicContact CB-CG2 3.72Å; F118-I325 HydrophobicContact CB-CD1 4.35Å; F118-I325 HydrophobicContact CB-CG2 4.17Å; F118-I325 HydrophobicContact CD2-CD1 3.52Å; F118-I325 HydrophobicContact CE2-CD1 4.32Å; F118-I325 HydrophobicContact CG-CD1 4.38Å; Y121-I325 HydrophobicContact CD2-CD1 4.09Å; Y121-I325 HydrophobicContact CG-CD1 4.34Å; Y230-I325 HydrophobicContact CG-CD1 4.49Å; V231-I325 PolarHBondContact O-N 3.16Å; L232-I325 HydrophobicContact CD2-CB 3.58Å; L232-I325 HydrophobicContact CD2-CD1 3.85Å; L232-I325 HydrophobicContact CD2-CG1 4.12Å; L232-I325 HydrophobicContact CD2-CG2 4.11Å; A233-I325 PolarHBondContact N-O 3.44Å; I325-V330 HydrophobicContact CG1-CG1 4.28Å; I325-V330 HydrophobicContact CG1-CG2 4.3Å; I325-V330 HydrophobicContact CG2-CG2 4.31Å
326T96.4Very high95.8Very high0 Ų036.4 Ų36.40%021%0.213CC..EExtended strand (participates in β ladder)trans-127.4176.2-171.173.30000111I114 N117 A233 F238 L324 L328 G329 L331I114-T326 VanDerWaalsContact CG1-C 3.43Å; N117-T326 PolarHBondContact ND2-O 2.96Å; A233-T326 WeakPolarHBondContact O-CA 3.48Å; A233-T326 WeakPolarHBondContact O-CB 3.49Å; A233-T326 WeakPolarHBondContact O-CG2 3.36Å; F238-T326 HydrophobicContact CE1-CG2 4.11Å; F238-T326 HydrophobicContact CZ-CG2 3.92Å; L324-T326 HydrophobicContact CB-CG2 4.34Å; T326-L328 PolarHBondContact O-N 3.37Å; T326-L328 PolarHBondContact OG1-N 3.41Å; T326-G329 PolarHBondContact N-O 3.01Å; T326-G329 PolarHBondContact O-N 3.28Å; T326-G329 PolarHBondContact OG1-N 3.28Å; T326-G329 PolarHBondContact OG1-O 3.42Å; T326-L331 HydrophobicContact CG2-CD1 4.29Å
327D94.2Very high95.6Very high15 Ų1538.2 Ų38.28%0.0823%0.226CC..THydrogen-bonded Turntrans-73.1-13.9171.959.5-63.3000113.5C110 K113 I114 S235 G329C110-D327 HydrophobicContact CB-CB 3.77Å; C110-D327 VanDerWaalsContact SG-CG 3.51Å; C110-D327 PolarHBondContact SG-OD2 3.05Å; K113-D327 HydrophobicContact CB-CB 4.21Å; K113-D327 HydrophobicContact CD-CB 4.3Å; I114-D327 HydrophobicContact CG1-CB 4.33Å; S235-D327 WeakPolarHBondContact CB-OD1 3.2Å; S235-D327 PolarHBondContact N-OD1 3.17Å; S235-D327 VanDerWaalsContact OG-CG 3.24Å; S235-D327 PolarHBondContact OG-OD1 3.01Å; S235-D327 PolarHBondContact OG-OD2 3.14Å; D327-G329 VanDerWaalsContact C-N 3.31Å
328L93.4Very high95.4Very high62 Ų6241 Ų4133%0.32524%0.238SC..THydrogen-bonded Turntrans-82.4-12.6170.8-56.1176.5000112.1T326 E339 L343T326-L328 PolarHBondContact O-N 3.37Å; T326-L328 PolarHBondContact OG1-N 3.41Å; L328-E339 HydrophobicContact CD1-CB 4.23Å; L328-E339 HydrophobicContact CD1-CG 4.32Å; L328-L343 HydrophobicContact CD1-CD1 4.44Å
329G94.5Very high95.2Very high18 Ų1841.4 Ų41.419%0.18624%0.237CC..EExtended strand (participates in β ladder)trans124-161.1-173.900000111.7T326 D327T326-G329 PolarHBondContact N-O 3.01Å; T326-G329 PolarHBondContact O-N 3.28Å; T326-G329 PolarHBondContact OG1-N 3.28Å; T326-G329 PolarHBondContact OG1-O 3.42Å; D327-G329 VanDerWaalsContact C-N 3.31Å
330V95.8Very high94.9Very high45 Ų4537.4 Ų37.427%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-100.5116.5179.4-177.10000108.4N117 Y121 Y323 I325N117-V330 HydrophobicContact CB-CG2 4.49Å; Y121-V330 HydrophobicContact CE2-CG1 4.42Å; Y121-V330 HydrophobicContact CE2-CG2 3.59Å; Y323-V330 HydrophobicContact CD1-CG1 3.98Å; Y323-V330 HydrophobicContact CG-CG1 3.93Å; I325-V330 HydrophobicContact CG1-CG1 4.28Å; I325-V330 HydrophobicContact CG1-CG2 4.3Å; I325-V330 HydrophobicContact CG2-CG2 4.31Å
331L96.4Very high94.5Very high18 Ų1837.3 Ų37.39%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-109.6143.1-174.3-55178000109.9F238 L324 T326 A335 E339F238-L331 HydrophobicContact CE2-CD1 4.14Å; F238-L331 HydrophobicContact CZ-CD1 3.99Å; L324-L331 HydrophobicContact CB-CB 4.44Å; L324-L331 PolarHBondContact N-O 3.48Å; L324-L331 PolarHBondContact O-N 3.19Å; T326-L331 HydrophobicContact CG2-CD1 4.29Å; L331-A335 HydrophobicContact CB-CB 4.35Å; L331-A335 HydrophobicContact CD2-CB 4.41Å; L331-E339 HydrophobicContact CD1-CB 4.45Å; L331-E339 HydrophobicContact CD1-CG 3.96Å; L331-E339 HydrophobicContact CD2-CG 4.08Å
332T95.7Very high94.1Very high67 Ų6743.2 Ų43.241%0.41124%0.239SC..  trans-79155.6160.2580000108.9Y323 S334 A335 V336Y323-T332 HydrophobicContact CD1-CG2 4.38Å; Y323-T332 HydrophobicContact CE1-CG2 4.21Å; T332-S334 PolarHBondContact O-N 3.47Å; T332-S334 VanDerWaalsContact O-N 3.14Å; T332-A335 WeakPolarHBondContact O-CB 2.91Å; T332-A335 PolarHBondContact O-N 3.34Å; T332-V336 PolarHBondContact O-N 3.05Å
333P94.5Very high93.5Very high15 Ų1541.5 Ų41.510%0.09723%0.229CC..Hα-helixtrans-52.1-37.7178.3-28.534.9000113.7G207 P318 I321 L324 A335 V336G207-P333 WeakPolarHBondContact CA-O 3.29Å; P318-P333 HydrophobicContact CB-CB 3.6Å; P318-P333 HydrophobicContact CB-CG 4.29Å; I321-P333 HydrophobicContact CB-CG 4.15Å; I321-P333 HydrophobicContact CG2-CG 4.22Å; I321-P333 WeakPolarHBondContact O-CG 3.17Å; L324-P333 HydrophobicContact CD1-CB 4.27Å; L324-P333 HydrophobicContact CD1-CG 3.97Å; P333-A335 VanDerWaalsContact C-N 3.35Å; P333-A335 PolarHBondContact O-N 2.77Å; P333-V336 WeakPolarHBondContact O-CB 3.08Å; P333-V336 WeakPolarHBondContact O-CG2 3.45Å; P333-V336 PolarHBondContact O-N 2.91Å
334S93.8Very high92.8Very high93 Ų9337.6 Ų37.665%0.6521%0.214SC*.Hα-helixtrans-63.7-36.8176.7-51.30000113.3T332 V336 S337T332-S334 PolarHBondContact O-N 3.47Å; T332-S334 VanDerWaalsContact O-N 3.14Å; S334-V336 PolarHBondContact O-N 3.41Å; S334-S337 PolarHBondContact O-N 3.03Å; S334-S337 PolarHBondContact O-OG 2.98Å
335A95Very high91.7Very high24 Ų2444.5 Ų44.520%0.19825%0.25CC..Hα-helixtrans-70.1-17.1179.800000113.1L331 T332 P333 S337 D338 E339L331-A335 HydrophobicContact CB-CB 4.35Å; L331-A335 HydrophobicContact CD2-CB 4.41Å; T332-A335 WeakPolarHBondContact O-CB 2.91Å; T332-A335 PolarHBondContact O-N 3.34Å; P333-A335 VanDerWaalsContact C-N 3.35Å; P333-A335 PolarHBondContact O-N 2.77Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 3.25Å; A335-D338 PolarHBondContact O-N 2.79Å; A335-E339 PolarHBondContact O-N 3.31Å; A335-E339 VanDerWaalsContact O-N 3.11Å
336V94Very high91.4Very high0 Ų046.7 Ų46.70%026%0.262CS..Hα-helixtrans-61.3-38.6176.5177.40000111V203 F238 L324 T332 P333 S334 E339 L340V203-V336 HydrophobicContact CG1-CG1 3.7Å; V203-V336 HydrophobicContact CG1-CG2 4.39Å; F238-V336 HydrophobicContact CD2-CG1 4.29Å; F238-V336 HydrophobicContact CE2-CG1 4.01Å; F238-V336 HydrophobicContact CZ-CG1 4.37Å; L324-V336 HydrophobicContact CD1-CG2 3.85Å; L324-V336 HydrophobicContact CD2-CG2 4.06Å; L324-V336 HydrophobicContact CG-CG2 4.44Å; T332-V336 PolarHBondContact O-N 3.05Å; P333-V336 WeakPolarHBondContact O-CB 3.08Å; P333-V336 WeakPolarHBondContact O-CG2 3.45Å; P333-V336 PolarHBondContact O-N 2.91Å; S334-V336 PolarHBondContact O-N 3.41Å; V336-E339 PolarHBondContact O-N 3.43Å; V336-L340 HydrophobicContact CG1-CD1 3.94Å; V336-L340 HydrophobicContact CG1-CG 4.43Å; V336-L340 WeakPolarHBondContact O-CB 3.39Å; V336-L340 PolarHBondContact O-N 3.28Å
337S91.9Very high91.1Very high38 Ų3849.2 Ų49.227%0.26628%0.276SS..Hα-helixtrans-62.3-44.1178.565.40000112.1S334 A335 L340 I341S334-S337 PolarHBondContact O-N 3.03Å; S334-S337 PolarHBondContact O-OG 2.98Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 3.25Å; S337-L340 WeakPolarHBondContact O-CB 3.45Å; S337-L340 PolarHBondContact O-N 3.02Å; S337-I341 VanDerWaalsContact O-CG1 3.27Å; S337-I341 WeakPolarHBondContact O-CG1 3.31Å; S337-I341 PolarHBondContact O-N 3.26Å
338D92.5Very high91Very high96 Ų9651.1 Ų51.151%0.51329%0.287SS..Hα-helixtrans-63.6-42.6176.5-68.1-24.2000112A335 I341 K342A335-D338 PolarHBondContact O-N 2.79Å; D338-I341 PolarHBondContact O-N 2.94Å; D338-K342 WeakPolarHBondContact O-CG 3.26Å; D338-K342 PolarHBondContact O-N 3Å; D338-K342 VanDerWaalsContact O-N 3.14Å
339E92.5Very high90.8Very high39 Ų3950.4 Ų50.418%0.18229%0.285CS..Hα-helixtrans-68.8-36.7177-68.5-54.7128.800112.2F238 L328 L331 A335 V336 K342 L343F238-E339 HydrophobicContact CE2-CB 4.26Å; L328-E339 HydrophobicContact CD1-CB 4.23Å; L328-E339 HydrophobicContact CD1-CG 4.32Å; L331-E339 HydrophobicContact CD1-CB 4.45Å; L331-E339 HydrophobicContact CD1-CG 3.96Å; L331-E339 HydrophobicContact CD2-CG 4.08Å; A335-E339 PolarHBondContact O-N 3.31Å; A335-E339 VanDerWaalsContact O-N 3.11Å; V336-E339 PolarHBondContact O-N 3.43Å; E339-K342 PolarHBondContact O-N 3.05Å; E339-K342 IonicContact OE1-NZ 2.79Å; E339-K342 PolarHBondContact OE1-NZ 3.25Å; E339-L343 VanDerWaalsContact O-CG 3.29Å; E339-L343 WeakPolarHBondContact O-CG 3.4Å; E339-L343 PolarHBondContact O-N 3.29Å
340L90.4Very high90.6Very high3 Ų352.4 Ų52.42%0.01629%0.291CS..Hα-helixtrans-61.1-44.7172-91.7167.7000111.6E205 F238 V336 S337 K342 L343 Y344E205-L340 VanDerWaalsContact CA-CD1 3.44Å; E205-L340 HydrophobicContact CB-CD1 3.95Å; E205-L340 HydrophobicContact CG-CD1 4.26Å; F238-L340 HydrophobicContact CB-CD2 3.58Å; F238-L340 HydrophobicContact CB-CG 4.13Å; F238-L340 HydrophobicContact CD2-CD2 4.34Å; F238-L340 HydrophobicContact CD2-CG 4.02Å; F238-L340 HydrophobicContact CG-CD2 4.45Å; V336-L340 HydrophobicContact CG1-CD1 3.94Å; V336-L340 HydrophobicContact CG1-CG 4.43Å; V336-L340 WeakPolarHBondContact O-CB 3.39Å; V336-L340 PolarHBondContact O-N 3.28Å; S337-L340 WeakPolarHBondContact O-CB 3.45Å; S337-L340 PolarHBondContact O-N 3.02Å; L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.97Å; L340-L343 PolarHBondContact O-N 3.43Å; L340-L343 VanDerWaalsContact O-N 3.14Å; L340-Y344 HydrophobicContact CD2-CD2 3.87Å; L340-Y344 HydrophobicContact CD2-CE2 3.44Å; L340-Y344 VanDerWaalsContact CD2-CE2 3.44Å; L340-Y344 VanDerWaalsContact O-CD2 3.29Å; L340-Y344 WeakPolarHBondContact O-CD2 3.37Å; L340-Y344 PolarHBondContact O-N 2.67Å
341I88.9Confident90.2Very high72 Ų7252.9 Ų52.937%0.36929%0.292SS..Hα-helixtrans-58.3-43.2176.5-69.1164.5000110.3S337 D338 L343 Y344 L345S337-I341 VanDerWaalsContact O-CG1 3.27Å; S337-I341 WeakPolarHBondContact O-CG1 3.31Å; S337-I341 PolarHBondContact O-N 3.26Å; D338-I341 PolarHBondContact O-N 2.94Å; I341-L343 VanDerWaalsContact C-N 3.34Å; I341-L343 PolarHBondContact O-N 3.38Å; I341-Y344 PolarHBondContact O-N 3.24Å; I341-L345 HydrophobicContact CG2-CD1 3.55Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.45Å; I341-L345 WeakPolarHBondContact O-CG 3.36Å; I341-L345 PolarHBondContact O-N 3.49Å
342K88.5Confident89.8Confident131 Ų13155.4 Ų55.457%0.5731%0.307SS*.Hα-helixtrans-69.1-24.9177.1-66.1171.4-166.1167.50114.8D338 E339 L340 L345D338-K342 WeakPolarHBondContact O-CG 3.26Å; D338-K342 PolarHBondContact O-N 3Å; D338-K342 VanDerWaalsContact O-N 3.14Å; E339-K342 PolarHBondContact O-N 3.05Å; E339-K342 IonicContact OE1-NZ 2.79Å; E339-K342 PolarHBondContact OE1-NZ 3.25Å; L340-K342 VanDerWaalsContact C-N 3.28Å; L340-K342 PolarHBondContact O-N 2.97Å; K342-L345 VanDerWaalsContact O-OXT 3.11Å
343L84.6Confident89.3Confident41 Ų4154.5 Ų54.522%0.21530%0.299CS..Hα-helixtrans-83.9-27.8179.1-74.4172.5000112.2L74 F238 L328 E339 L340 I341L74-L343 HydrophobicContact CD2-CB 3.93Å; F238-L343 HydrophobicContact CB-CD1 4.37Å; F238-L343 HydrophobicContact CD2-CD1 3.96Å; F238-L343 HydrophobicContact CG-CD1 4.45Å; L328-L343 HydrophobicContact CD1-CD1 4.44Å; E339-L343 VanDerWaalsContact O-CG 3.29Å; E339-L343 WeakPolarHBondContact O-CG 3.4Å; E339-L343 PolarHBondContact O-N 3.29Å; L340-L343 PolarHBondContact O-N 3.43Å; L340-L343 VanDerWaalsContact O-N 3.14Å; I341-L343 VanDerWaalsContact C-N 3.34Å; I341-L343 PolarHBondContact O-N 3.38Å
344Y80.9Confident88.9Confident13 Ų1357.8 Ų57.85%0.05132%0.315CS..Hα-helixtrans-100.5-11.8-177.2-78.9-96.6000114.3L74 R77 F238 R240 L340 I341L74-Y344 HydrophobicContact CD2-CD2 3.87Å; L74-Y344 HydrophobicContact CD2-CE1 4.36Å; L74-Y344 HydrophobicContact CD2-CE2 3.41Å; L74-Y344 VanDerWaalsContact CD2-CE2 3.41Å; L74-Y344 HydrophobicContact CG-CE2 4.19Å; R77-Y344 HydrophobicContact CG-CD1 4.14Å; F238-Y344 PolarHBondContact O-OH 2.83Å; R240-Y344 HydrophobicContact CG-CD1 4.02Å; R240-Y344 HydrophobicContact CG-CD2 4.11Å; R240-Y344 HydrophobicContact CG-CE1 3.77Å; R240-Y344 HydrophobicContact CG-CE2 3.89Å; R240-Y344 HydrophobicContact CG-CG 4.16Å; L340-Y344 HydrophobicContact CD2-CD2 3.87Å; L340-Y344 HydrophobicContact CD2-CE2 3.44Å; L340-Y344 VanDerWaalsContact CD2-CE2 3.44Å; L340-Y344 VanDerWaalsContact O-CD2 3.29Å; L340-Y344 WeakPolarHBondContact O-CD2 3.37Å; L340-Y344 PolarHBondContact O-N 2.67Å; I341-Y344 PolarHBondContact O-N 3.24Å
345L74.1Confident88.5Confident144 Ų14454.6 Ų54.675%0.75429%0.285SS*.  trans-106.50169.3-62.4179.5000109.9L81 I341 K342L81-L345 WeakPolarHBondContact CD2-O 3.47Å; I341-L345 HydrophobicContact CG2-CD1 3.55Å; I341-L345 HydrophobicContact CG2-CG 4.31Å; I341-L345 VanDerWaalsContact O-CB 3.3Å; I341-L345 WeakPolarHBondContact O-CB 3.45Å; I341-L345 WeakPolarHBondContact O-CG 3.36Å; I341-L345 PolarHBondContact O-N 3.49Å; K342-L345 VanDerWaalsContact O-OXT 3.11Å

Retrieved 345 of 345 residues in 89.8 ms (Link to these results)

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