A0A077Z293_TRITR Loading...

Alternative splicing factor ASF:SF2

AlphaFold DB , UniProt , Accession A0A077Z293, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low54.5Low232 Ų232113.5 Ų113.5100%1.14360%0.597SS**  0104.20-68.6168.5104.100106.3
2S35.2Very low57.2Low120 Ų120104 Ų10484%0.83955%0.548SS*.  trans-126.956.7-152.7-49.70000111.8
3S39.1Very low59.5Low107 Ų107100.5 Ų100.575%0.74852%0.523SS*.  trans-112.823.7-168.6-47.90000114.2
4Y44.1Very low61.5Low197 Ų19793.4 Ų93.477%0.77349%0.486SS*.  trans-112.32.7-172.5-76.9-79.7000115.5
5S48.8Very low63.1Low82 Ų8287.2 Ų87.257%0.57345%0.454SS*.SBendtrans-76.6-52.5-174.7-144.40000113.8R7 S8 E9S5-R7 PolarHBondContact O-N 3.41Å; S5-S8 PolarHBondContact O-N 3.19Å; S5-E9 PolarHBondContact OG-OE1 3.08Å
6S51.4Low64.4Low72 Ų7285.8 Ų85.850%0.50345%0.447SS..Hα-helixtrans-68.7-29.8-167.459.70000115.2S8 E9 N10S6-S8 PolarHBondContact O-N 3.46Å; S6-E9 PolarHBondContact O-N 3.47Å; S6-N10 PolarHBondContact O-N 2.83Å
7R55.5Low65.5Low170 Ų17080.8 Ų80.864%0.64242%0.421SS*.Hα-helixtrans-63.7-21.1-179.8-83.1-174164.6155.4-0.9114.4S5S5-R7 PolarHBondContact O-N 3.41Å
8S61.6Low66.3Low65 Ų6576.7 Ų76.746%0.45540%0.401SS..Hα-helixtrans-87.6-30.7177.6-58.60000112.2S5 S6S5-S8 PolarHBondContact O-N 3.19Å; S6-S8 PolarHBondContact O-N 3.46Å
9E66.1Low66.9Low96 Ų9676.8 Ų76.845%0.44941%0.406SS..Hα-helixtrans-78.3-31.8-175.6-68.1163-159.400112.1S5 S6 R11 H57S5-E9 PolarHBondContact OG-OE1 3.08Å; S6-E9 PolarHBondContact O-N 3.47Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-H57 PolarHBondContact O-ND1 3.42Å
10N79.8Confident67.4Low27 Ų2780.9 Ų80.914%0.14442%0.423CS..THydrogen-bonded Turntrans-83.4-3.7176.3-65.79.7000113.9S6 F54 E55 H57S6-N10 PolarHBondContact O-N 2.83Å; N10-F54 VanDerWaalsContact CB-O 3.28Å; N10-F54 WeakPolarHBondContact CB-O 3.47Å; N10-F54 PolarHBondContact ND2-O 2.81Å; N10-F54 VanDerWaalsContact ND2-O 3.14Å; N10-F54 PolarHBondContact O-N 3.42Å; N10-E55 PolarHBondContact ND2-O 2.85Å; N10-H57 WeakPolarHBondContact OD1-CB 3.5Å; N10-H57 PolarHBondContact OD1-N 3.31Å
11R84.4Confident68.2Low80 Ų8077.7 Ų77.730%0.30241%0.406SS..EExtended strand (participates in β ladder)trans-97.1134.3-174.8-172.2177.1-73-164.1-2.3110.6E9 F51 I52 E53 F81 P82E9-R11 VanDerWaalsContact C-N 3.3Å; R11-F51 HydrophobicContact CG-CB 4.2Å; R11-I52 CarbonylContact C-O 3.54Å; R11-I52 WeakPolarHBondContact CA-O 3Å; R11-E53 IonicContact CZ-OE2 3.39Å; R11-E53 IonicContact NE-OE2 3.3Å; R11-E53 PolarHBondContact NE-OE2 3.4Å; R11-E53 IonicContact NH2-OE2 2.66Å; R11-E53 PolarHBondContact NH2-OE2 3.19Å; R11-F81 WeakPolarHBondContact O-CD1 3.45Å; R11-P82 HydrophobicContact CB-CG 4.17Å; R11-P82 HydrophobicContact CG-CG 4.19Å; R11-P82 WeakPolarHBondContact O-CD 3.28Å
12I87.5Confident70.6Confident0 Ų074.7 Ų74.70%038%0.382CS..EExtended strand (participates in β ladder)trans-110.1150.9169.667.5164.7000109.9V14 F30 F51 I52 F54 A60 A63 V64 V79 F81I12-V14 HydrophobicContact CD1-CG2 3.82Å; I12-V14 HydrophobicContact CG1-CG2 4.23Å; I12-F30 HydrophobicContact CD1-CD1 3.8Å; I12-F30 HydrophobicContact CD1-CE1 3.49Å; I12-F30 VanDerWaalsContact CD1-CE1 3.49Å; I12-F30 HydrophobicContact CD1-CZ 4.01Å; I12-F51 VanDerWaalsContact O-CA 3.27Å; I12-F51 WeakPolarHBondContact O-CA 3.38Å; I12-I52 HydrophobicContact CD1-CB 4.13Å; I12-I52 HydrophobicContact CD1-CD1 4.36Å; I12-I52 HydrophobicContact CG1-CB 3.72Å; I12-I52 PolarHBondContact N-O 2.89Å; I12-I52 PolarHBondContact O-N 2.73Å; I12-F54 HydrophobicContact CD1-CE2 3.72Å; I12-F54 HydrophobicContact CD1-CZ 4.38Å; I12-F54 HydrophobicContact CG1-CE2 3.91Å; I12-F54 HydrophobicContact CG2-CD2 4.4Å; I12-F54 HydrophobicContact CG2-CE2 4.17Å; I12-A60 HydrophobicContact CG2-CB 3.77Å; I12-A63 HydrophobicContact CD1-CB 4.24Å; I12-V64 HydrophobicContact CB-CG2 4.18Å; I12-V64 HydrophobicContact CG2-CG2 3.59Å; I12-V79 HydrophobicContact CB-CG1 4.31Å; I12-V79 HydrophobicContact CD1-CG1 3.74Å; I12-F81 HydrophobicContact CG2-CE1 4.24Å
13Y87.4Confident73.1Confident59 Ų5971.4 Ų71.423%0.23136%0.359CS..EExtended strand (participates in β ladder)trans-102.5129.1167.2165-94.4000108.7F49 F51 V79 E80Y13-F49 HydrophobicContact CD2-CB 4.48Å; Y13-F49 HydrophobicContact CD2-CD2 4.31Å; Y13-F49 HydrophobicContact CE2-CB 3.59Å; Y13-F49 AromaticContact CE2-CD2 3.72Å; Y13-F49 HydrophobicContact CE2-CD2 3.72Å; Y13-F49 AromaticContact CE2-CG 3.85Å; Y13-F49 HydrophobicContact CE2-CG 3.85Å; Y13-F51 HydrophobicContact CD2-CD1 4.14Å; Y13-F51 AromaticContact CD2-CE1 3.57Å; Y13-F51 HydrophobicContact CD2-CE1 3.57Å; Y13-F51 AromaticContact CD2-CZ 3.92Å; Y13-F51 HydrophobicContact CD2-CZ 3.92Å; Y13-F51 HydrophobicContact CG-CE1 4.21Å; Y13-V79 WeakPolarHBondContact O-CA 3.46Å; Y13-E80 WeakPolarHBondContact CA-O 3.32Å; Y13-E80 WeakPolarHBondContact CB-O 3.22Å; Y13-E80 PolarHBondContact N-O 3.23Å; Y13-E80 PolarHBondContact O-N 2.9Å
14V87.4Confident75.3Confident0 Ų076.5 Ų76.50%036%0.362CS..EExtended strand (participates in β ladder)trans-116.7104175.9-171.80000108.1I12 L17 F30 F49 A50 I52 R78 V79I12-V14 HydrophobicContact CD1-CG2 3.82Å; I12-V14 HydrophobicContact CG1-CG2 4.23Å; V14-L17 HydrophobicContact CG1-CD1 4.31Å; V14-L17 HydrophobicContact CG1-CD2 3.66Å; V14-L17 HydrophobicContact CG1-CG 4.08Å; V14-F30 HydrophobicContact CG1-CE2 4.25Å; V14-F30 HydrophobicContact CG1-CZ 4.21Å; V14-F30 HydrophobicContact CG2-CE1 4.42Å; V14-F30 HydrophobicContact CG2-CE2 3.79Å; V14-F30 HydrophobicContact CG2-CZ 3.58Å; V14-F49 CarbonylContact O-C 3.58Å; V14-F49 WeakPolarHBondContact O-CA 3.14Å; V14-F49 WeakPolarHBondContact O-CB 3.41Å; V14-A50 PolarHBondContact N-O 3.11Å; V14-A50 PolarHBondContact O-N 3.42Å; V14-I52 HydrophobicContact CG2-CD1 3.88Å; V14-I52 HydrophobicContact CG2-CG1 4.34Å; V14-R78 CarbonylContact C-O 3.47Å; V14-R78 WeakPolarHBondContact CA-O 3.3Å; V14-V79 HydrophobicContact CG1-CG2 4.28Å; V14-V79 HydrophobicContact CG2-CG1 4.34Å; V14-V79 HydrophobicContact CG2-CG2 4.45Å
15G85.9Confident77.3Confident1 Ų170.7 Ų70.71%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-103.7167.8178.500000113.2R78G15-R78 PolarHBondContact N-O 3.12Å; G15-R78 PolarHBondContact O-N 3.49Å
16N84Confident79.2Confident64 Ų6467 Ų6734%0.34232%0.315SS..SBendtrans57.446179.4-163.760.6000112.9P48 K76N16-P48 PolarHBondContact N-O 3.35Å; N16-K76 WeakPolarHBondContact CB-O 3.31Å; N16-K76 PolarHBondContact ND2-N 3.42Å; N16-K76 PolarHBondContact ND2-O 3.15Å
17L82.7Confident80.9Confident1 Ų166.7 Ų66.71%0.00531%0.308CS..  trans-78.8155.1172.4-66.3164.5000110.8V14 I21 L26 L41 P48 A50 L77V14-L17 HydrophobicContact CG1-CD1 4.31Å; V14-L17 HydrophobicContact CG1-CD2 3.66Å; V14-L17 HydrophobicContact CG1-CG 4.08Å; L17-I21 HydrophobicContact CB-CB 4.43Å; L17-I21 HydrophobicContact CB-CG2 3.84Å; L17-I21 HydrophobicContact CD1-CG2 4.04Å; L17-I21 HydrophobicContact CD2-CG1 4.36Å; L17-I21 HydrophobicContact CG-CG2 4.38Å; L17-L26 HydrophobicContact CD1-CD1 4.13Å; L17-L26 HydrophobicContact CD1-CD2 4.27Å; L17-L26 HydrophobicContact CD2-CD2 3.65Å; L17-L41 HydrophobicContact CD1-CD1 4.1Å; L17-P48 HydrophobicContact CB-CB 4.17Å; L17-P48 PolarHBondContact N-O 2.87Å; L17-P48 VanDerWaalsContact N-O 3.11Å; L17-P48 VanDerWaalsContact O-CD 3.3Å; L17-P48 WeakPolarHBondContact O-CD 3.26Å; L17-P48 WeakPolarHBondContact O-CG 3.4Å; L17-A50 HydrophobicContact CD1-CB 3.84Å; L17-L77 HydrophobicContact CD2-CD1 4.37Å; L17-L77 HydrophobicContact CD2-CD2 3.79Å
18P79.1Confident82.4Confident8 Ų864.3 Ų64.35%0.05231%0.308CS..  trans-65.3150.2169.927.9-34.3000111E20 I21 Y75P18-E20 PolarHBondContact O-N 3.35Å; P18-E20 VanDerWaalsContact O-N 3.14Å; P18-I21 HydrophobicContact CG-CB 4.1Å; P18-I21 HydrophobicContact CG-CD1 4.25Å; P18-I21 WeakPolarHBondContact O-CB 3.31Å; P18-I21 WeakPolarHBondContact O-CG2 3.27Å; P18-I21 PolarHBondContact O-N 2.78Å; P18-I21 VanDerWaalsContact O-N 3.11Å; P18-Y75 HydrophobicContact CB-CD2 3.63Å; P18-Y75 HydrophobicContact CB-CE2 3.83Å; P18-Y75 HydrophobicContact CB-CG 4.1Å
19P77.4Confident83.5Confident78 Ų7862.1 Ų62.151%0.50629%0.291SS..THydrogen-bonded Turntrans-63.3-20.6-178.326.8-35.3000114
20E78.5Confident84.4Confident159 Ų15957.5 Ų57.574%0.74327%0.269SS*.THydrogen-bonded Turntrans-87.9-5.3178.8-55-155.4154.100114.3P18 R22P18-E20 PolarHBondContact O-N 3.35Å; P18-E20 VanDerWaalsContact O-N 3.14Å; E20-R22 PolarHBondContact O-N 2.8Å
21I82.3Confident84.7Confident13 Ų1361.9 Ų61.97%0.06729%0.289CS..  trans-59.7138.3-178.5-15471.6000110.7L17 P18 Q25 L26 L41L17-I21 HydrophobicContact CB-CB 4.43Å; L17-I21 HydrophobicContact CB-CG2 3.84Å; L17-I21 HydrophobicContact CD1-CG2 4.04Å; L17-I21 HydrophobicContact CD2-CG1 4.36Å; L17-I21 HydrophobicContact CG-CG2 4.38Å; P18-I21 HydrophobicContact CG-CB 4.1Å; P18-I21 HydrophobicContact CG-CD1 4.25Å; P18-I21 WeakPolarHBondContact O-CB 3.31Å; P18-I21 WeakPolarHBondContact O-CG2 3.27Å; P18-I21 PolarHBondContact O-N 2.78Å; P18-I21 VanDerWaalsContact O-N 3.11Å; I21-Q25 HydrophobicContact CD1-CB 3.76Å; I21-Q25 HydrophobicContact CG1-CB 4.35Å; I21-L26 HydrophobicContact CG1-CD2 3.99Å; I21-L26 HydrophobicContact CG1-CG 4.03Å; I21-L41 HydrophobicContact CG2-CD1 3.78Å; I21-L41 HydrophobicContact CG2-CD2 4.27Å; I21-L41 WeakPolarHBondContact O-CD2 3.21Å
22R84.3Confident84.7Confident170 Ų17066.4 Ų66.464%0.64231%0.311SS*.  trans-115.5154.2170.7-64.5-173.9174.888.6-4.4110.4E20 R24 Q25 L26E20-R22 PolarHBondContact O-N 2.8Å; R22-R24 PolarHBondContact O-N 3.11Å; R22-Q25 PolarHBondContact O-N 3.48Å; R22-L26 PolarHBondContact O-N 2.84Å
23S86.9Confident84.4Confident50 Ų5068.1 Ų68.135%0.3532%0.318SS..Hα-helixtrans-52.3-34.1178.3-44.50000112.8Q25 L26 D27 L41S23-Q25 VanDerWaalsContact C-N 3.35Å; S23-Q25 PolarHBondContact O-N 3.11Å; S23-L26 PolarHBondContact O-N 3.29Å; S23-D27 WeakPolarHBondContact O-CB 3.44Å; S23-D27 PolarHBondContact O-N 2.97Å; S23-L41 WeakPolarHBondContact OG-CB 3.13Å
24R86.5Confident84.2Confident214 Ų21466 Ų6681%0.80831%0.314SS*.Hα-helixtrans-61.5-35.1175.1-65.5-175.6-174.5159.40.7114.4R22 D28R22-R24 PolarHBondContact O-N 3.11Å; R24-D28 WeakPolarHBondContact O-CB 3.38Å; R24-D28 PolarHBondContact O-N 3.27Å; R24-D28 VanDerWaalsContact O-N 3.08Å
25Q86.5Confident84.1Confident76 Ų7672.3 Ų72.336%0.35534%0.341SS..Hα-helixtrans-75.1-34.1178.4-69.3166.4-69.600110.9I21 R22 S23 F29I21-Q25 HydrophobicContact CD1-CB 3.76Å; I21-Q25 HydrophobicContact CG1-CB 4.35Å; R22-Q25 PolarHBondContact O-N 3.48Å; S23-Q25 VanDerWaalsContact C-N 3.35Å; S23-Q25 PolarHBondContact O-N 3.11Å; Q25-F29 WeakPolarHBondContact O-CB 3.45Å; Q25-F29 PolarHBondContact O-N 2.83Å
26L87.2Confident84.2Confident3 Ų373.9 Ų73.92%0.01635%0.349CS..Hα-helixtrans-67-43.2171.1-62.9176.4000111.1L17 I21 R22 S23 F29 F30 V39 L41 A50 I52L17-L26 HydrophobicContact CD1-CD1 4.13Å; L17-L26 HydrophobicContact CD1-CD2 4.27Å; L17-L26 HydrophobicContact CD2-CD2 3.65Å; I21-L26 HydrophobicContact CG1-CD2 3.99Å; I21-L26 HydrophobicContact CG1-CG 4.03Å; R22-L26 PolarHBondContact O-N 2.84Å; S23-L26 PolarHBondContact O-N 3.29Å; L26-F29 PolarHBondContact O-N 2.87Å; L26-F30 HydrophobicContact CD2-CE2 4.22Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 WeakPolarHBondContact O-CD2 3.48Å; L26-F30 PolarHBondContact O-N 3.23Å; L26-V39 HydrophobicContact CB-CG1 4.23Å; L26-V39 HydrophobicContact CD1-CG1 4.16Å; L26-L41 HydrophobicContact CD1-CD1 4.12Å; L26-A50 HydrophobicContact CD1-CB 3.32Å; L26-I52 HydrophobicContact CB-CD1 4.06Å
27D88.6Confident84.3Confident66 Ų6673.8 Ų73.835%0.35336%0.357SS..Hα-helixtrans-55.3-59.8176.9-158.8-125.9000110.4S23 F29 F30 Q31 I36 V39S23-D27 WeakPolarHBondContact O-CB 3.44Å; S23-D27 PolarHBondContact O-N 2.97Å; D27-F29 VanDerWaalsContact C-N 3.34Å; D27-F29 PolarHBondContact O-N 3Å; D27-F30 PolarHBondContact O-N 3.44Å; D27-Q31 WeakPolarHBondContact O-CB 3.39Å; D27-Q31 PolarHBondContact O-N 3.35Å; D27-I36 VanDerWaalsContact O-CD1 3.3Å; D27-I36 WeakPolarHBondContact O-CD1 3.36Å; D27-V39 HydrophobicContact CB-CG2 4.49Å
28D87Confident84.4Confident121 Ų12180.3 Ų80.365%0.64738%0.383SS*.Hα-helixtrans-55.6-42.9176.9-175.481.6000113.3R24 F30R24-D28 WeakPolarHBondContact O-CB 3.38Å; R24-D28 PolarHBondContact O-N 3.27Å; R24-D28 VanDerWaalsContact O-N 3.08Å; D28-F30 PolarHBondContact O-N 3.4Å
29F84.7Confident84.9Confident18 Ų1881 Ų818%0.07939%0.387CS..Hα-helixtrans-70.8-32.3-177.3-175.7-106.7000114.4Q25 L26 D27 R67 Y70 W72 L77Q25-F29 WeakPolarHBondContact O-CB 3.45Å; Q25-F29 PolarHBondContact O-N 2.83Å; L26-F29 PolarHBondContact O-N 2.87Å; D27-F29 VanDerWaalsContact C-N 3.34Å; D27-F29 PolarHBondContact O-N 3Å; F29-R67 HydrophobicContact CE1-CB 4.28Å; F29-R67 HydrophobicContact CE1-CG 3.8Å; F29-R67 VanDerWaalsContact CE1-NE 3.3Å; F29-R67 VanDerWaalsContact CZ-CD 3.48Å; F29-R67 HydrophobicContact CZ-CG 4.3Å; F29-Y70 HydrophobicContact CE2-CD1 4.16Å; F29-Y70 AromaticContact CE2-CE1 3.84Å; F29-Y70 HydrophobicContact CE2-CE1 3.84Å; F29-Y70 AromaticContact CZ-CD1 3.6Å; F29-Y70 HydrophobicContact CZ-CD1 3.6Å; F29-Y70 HydrophobicContact CZ-CD2 4.3Å; F29-Y70 AromaticContact CZ-CE1 3.79Å; F29-Y70 HydrophobicContact CZ-CE1 3.79Å; F29-Y70 HydrophobicContact CZ-CE2 4.44Å; F29-Y70 AromaticContact CZ-CG 3.88Å; F29-Y70 HydrophobicContact CZ-CG 3.88Å; F29-W72 HydrophobicContact CD2-CE3 4.03Å; F29-W72 HydrophobicContact CD2-CH2 4.41Å; F29-W72 AromaticContact CD2-CZ3 3.42Å; F29-W72 HydrophobicContact CD2-CZ3 3.42Å; F29-W72 VanDerWaalsContact CD2-CZ3 3.42Å; F29-W72 AromaticContact CE2-CE3 3.7Å; F29-W72 HydrophobicContact CE2-CE3 3.7Å; F29-W72 AromaticContact CE2-CZ3 3.51Å; F29-W72 HydrophobicContact CE2-CZ3 3.51Å; F29-W72 HydrophobicContact CG-CZ3 4.19Å; F29-W72 HydrophobicContact CZ-CE3 4.14Å; F29-W72 HydrophobicContact CZ-CZ3 4.35Å; F29-L77 HydrophobicContact CE1-CD1 3.97Å; F29-L77 HydrophobicContact CZ-CD1 4.26Å
30F85.1Confident85.3Confident0 Ų079.9 Ų79.90%038%0.377CS..Hα-helixtrans-98.1-21.6-178.8-77.3-80000113.3I12 V14 L26 D27 D28 K32 F33 I36 I52 F54 A63 R67 V79I12-F30 HydrophobicContact CD1-CD1 3.8Å; I12-F30 HydrophobicContact CD1-CE1 3.49Å; I12-F30 VanDerWaalsContact CD1-CE1 3.49Å; I12-F30 HydrophobicContact CD1-CZ 4.01Å; V14-F30 HydrophobicContact CG1-CE2 4.25Å; V14-F30 HydrophobicContact CG1-CZ 4.21Å; V14-F30 HydrophobicContact CG2-CE1 4.42Å; V14-F30 HydrophobicContact CG2-CE2 3.79Å; V14-F30 HydrophobicContact CG2-CZ 3.58Å; L26-F30 HydrophobicContact CD2-CE2 4.22Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 WeakPolarHBondContact O-CD2 3.48Å; L26-F30 PolarHBondContact O-N 3.23Å; D27-F30 PolarHBondContact O-N 3.44Å; D28-F30 PolarHBondContact O-N 3.4Å; F30-K32 PolarHBondContact O-N 3.44Å; F30-K32 VanDerWaalsContact O-N 3.09Å; F30-F33 HydrophobicContact CD1-CD2 4.22Å; F30-F33 PolarHBondContact O-N 2.82Å; F30-I36 HydrophobicContact CB-CD1 3.74Å; F30-I52 HydrophobicContact CB-CD1 4.11Å; F30-I52 HydrophobicContact CD1-CD1 4.36Å; F30-I52 HydrophobicContact CD2-CD1 3.12Å; F30-I52 HydrophobicContact CE2-CD1 3.49Å; F30-I52 VanDerWaalsContact CE2-CD1 3.49Å; F30-I52 HydrophobicContact CG-CD1 3.61Å; F30-I52 HydrophobicContact CZ-CD1 4.24Å; F30-F54 HydrophobicContact CB-CZ 4.06Å; F30-F54 HydrophobicContact CD1-CZ 4.11Å; F30-F54 HydrophobicContact CG-CZ 4.49Å; F30-A63 HydrophobicContact CD1-CB 3.88Å; F30-A63 HydrophobicContact CE1-CB 4.11Å; F30-R67 HydrophobicContact CE1-CB 3.96Å; F30-R67 HydrophobicContact CE1-CG 3.91Å; F30-R67 HydrophobicContact CZ-CB 4.2Å; F30-R67 HydrophobicContact CZ-CG 4.39Å; F30-V79 HydrophobicContact CE1-CG1 4.43Å; F30-V79 HydrophobicContact CZ-CG2 4.14Å
31Q85.6Confident85.7Confident119 Ų11974.5 Ų74.556%0.55635%0.353SS*.Hα-helixtrans-57.3-25.2174.9-178.5177.529.500112.3D27 F33 G34 I36D27-Q31 WeakPolarHBondContact O-CB 3.39Å; D27-Q31 PolarHBondContact O-N 3.35Å; Q31-F33 VanDerWaalsContact C-N 3.27Å; Q31-F33 PolarHBondContact O-N 3.43Å; Q31-G34 CarbonylContact C-O 3.52Å; Q31-G34 WeakPolarHBondContact CA-O 3.08Å; Q31-G34 PolarHBondContact O-N 3.01Å; Q31-I36 HydrophobicContact CB-CD1 4.39Å
32K83.5Confident85.8Confident175 Ų17577.1 Ų77.176%0.76136%0.364SS*.THydrogen-bonded Turntrans-62.6-28.4174.4-172.7173.7-179.5-179.40114F30F30-K32 PolarHBondContact O-N 3.44Å; F30-K32 VanDerWaalsContact O-N 3.09Å
33F81.3Confident85.4Confident36 Ų3674.2 Ų74.216%0.15836%0.361CS..THydrogen-bonded Turntrans-88.8-23.6179.5-59.1-78.6000112.7F30 Q31 F54 D62 A63 C66 R67F30-F33 HydrophobicContact CD1-CD2 4.22Å; F30-F33 PolarHBondContact O-N 2.82Å; Q31-F33 VanDerWaalsContact C-N 3.27Å; Q31-F33 PolarHBondContact O-N 3.43Å; F33-F54 HydrophobicContact CB-CE1 4.47Å; F33-D62 HydrophobicContact CD1-CB 4.47Å; F33-D62 WeakPolarHBondContact CD1-OD2 3.26Å; F33-A63 HydrophobicContact CB-CB 4.08Å; F33-A63 HydrophobicContact CD2-CB 4.12Å; F33-A63 HydrophobicContact CG-CB 4.02Å; F33-C66 HydrophobicContact CD1-CB 4.49Å; F33-C66 HydrophobicContact CE1-CB 3.54Å; F33-C66 HydrophobicContact CZ-CB 3.98Å; F33-R67 HydrophobicContact CE2-CG 3.53Å; F33-R67 HydrophobicContact CZ-CG 3.61Å
34G83.8Confident84.5Confident14 Ų1480 Ų8014%0.14438%0.375CS..SBendtrans170.4176.9-17300000113.9Q31 I36 D59Q31-G34 CarbonylContact C-O 3.52Å; Q31-G34 WeakPolarHBondContact CA-O 3.08Å; Q31-G34 PolarHBondContact O-N 3.01Å; G34-I36 PolarHBondContact O-N 2.6Å; G34-D59 WeakPolarHBondContact CA-OD2 3.2Å
35K85.5Confident83.2Confident132 Ų13280.6 Ų80.657%0.57438%0.384SS*.  trans-76.5124.9178.4-66.8179.9-174.4172.90110.3F54 E55 D59K35-F54 CarbonylContact O-C 3.58Å; K35-F54 WeakPolarHBondContact O-CA 3.49Å; K35-E55 HydrophobicContact CB-CB 4.07Å; K35-E55 WeakPolarHBondContact CD-OE2 3.29Å; K35-E55 IonicContact NZ-OE1 2.74Å; K35-E55 IonicContact NZ-OE2 3.81Å; K35-E55 PolarHBondContact O-N 3.32Å; K35-D59 PolarHBondContact N-OD2 2.81Å
36I87.1Confident82.3Confident35 Ų3579.1 Ų79.118%0.17939%0.388CS..EExtended strand (participates in β ladder)trans-88.3124.1175.5-59.5170.3000108.7D27 F30 Q31 G34 V39 I52 F54D27-I36 VanDerWaalsContact O-CD1 3.3Å; D27-I36 WeakPolarHBondContact O-CD1 3.36Å; F30-I36 HydrophobicContact CB-CD1 3.74Å; Q31-I36 HydrophobicContact CB-CD1 4.39Å; G34-I36 PolarHBondContact O-N 2.6Å; I36-V39 HydrophobicContact CG2-CG2 3.63Å; I36-I52 HydrophobicContact CD1-CG2 4.14Å; I36-I52 HydrophobicContact CG1-CG2 4.02Å; I36-I52 HydrophobicContact CG2-CG2 3.77Å; I36-F54 HydrophobicContact CG1-CD1 4.33Å; I36-F54 HydrophobicContact CG1-CE1 4.05Å
37A86.2Confident81.6Confident62 Ų6283.1 Ų83.151%0.51242%0.415SS..EExtended strand (participates in β ladder)trans-83.7-35.6172.400000111.9E53A37-E53 WeakPolarHBondContact CA-O 3.37Å; A37-E53 WeakPolarHBondContact CB-O 3.28Å; A37-E53 PolarHBondContact N-O 3.37Å
38Y85.8Confident81.4Confident137 Ų13780.5 Ų80.554%0.53740%0.401SS..EExtended strand (participates in β ladder)trans-158.9146.3-179.5-165.9-111.1000114D40 I52 E53Y38-D40 HydrophobicContact CD1-CB 4.36Å; Y38-D40 HydrophobicContact CE1-CB 3.9Å; Y38-I52 WeakPolarHBondContact O-CA 3.37Å; Y38-E53 PolarHBondContact N-O 3.17Å; Y38-E53 PolarHBondContact O-N 2.91Å
39V88.6Confident81.4Confident24 Ų2477.1 Ų77.115%0.14538%0.381CS..EExtended strand (participates in β ladder)trans-125.1114.1173.1-177.20000110.4L26 D27 I36 I52L26-V39 HydrophobicContact CB-CG1 4.23Å; L26-V39 HydrophobicContact CD1-CG1 4.16Å; D27-V39 HydrophobicContact CB-CG2 4.49Å; I36-V39 HydrophobicContact CG2-CG2 3.63Å; V39-I52 HydrophobicContact CG1-CG1 4.35Å; V39-I52 HydrophobicContact CG2-CG1 4.48Å; V39-I52 HydrophobicContact CG2-CG2 4.45Å
40D86.8Confident81.5Confident53 Ų5376.3 Ų76.328%0.28338%0.377SS..EExtended strand (participates in β ladder)trans-103.798.7172.4-175.327000110.3Y38 A50 F51Y38-D40 HydrophobicContact CD1-CB 4.36Å; Y38-D40 HydrophobicContact CE1-CB 3.9Å; D40-A50 CarbonylContact O-C 3.47Å; D40-A50 WeakPolarHBondContact O-CA 3.36Å; D40-F51 HydrophobicContact CB-CB 4.36Å; D40-F51 PolarHBondContact N-O 3.5Å; D40-F51 PolarHBondContact O-N 3.07Å
41L87.2Confident81.7Confident46 Ų4678.6 Ų78.624%0.24139%0.388CS..EExtended strand (participates in β ladder)trans-86.3121.4174.7177.764.2000110.6L17 I21 S23 L26 A50L17-L41 HydrophobicContact CD1-CD1 4.1Å; I21-L41 HydrophobicContact CG2-CD1 3.78Å; I21-L41 HydrophobicContact CG2-CD2 4.27Å; I21-L41 WeakPolarHBondContact O-CD2 3.21Å; S23-L41 WeakPolarHBondContact OG-CB 3.13Å; L26-L41 HydrophobicContact CD1-CD1 4.12Å; L41-A50 HydrophobicContact CD1-CB 4.04Å
42K84Confident81.8Confident68 Ų6873 Ų7330%0.29636%0.361SS..EExtended strand (participates in β ladder)trans-116.490.3-176.3-157.655.9154.8-158.10113.1R44 F49K42-R44 HydrophobicContact CD-CG 4.3Å; K42-R44 HydrophobicContact CG-CG 3.88Å; K42-R44 PolarHBondContact O-N 2.79Å; K42-F49 CarbonylContact C-O 3.57Å; K42-F49 WeakPolarHBondContact CA-O 3.22Å; K42-F49 HydrophobicContact CB-CD2 3.84Å; K42-F49 HydrophobicContact CB-CE1 4.21Å; K42-F49 HydrophobicContact CB-CE2 3.49Å; K42-F49 VanDerWaalsContact CB-CE2 3.49Å; K42-F49 HydrophobicContact CB-CG 4.36Å; K42-F49 HydrophobicContact CB-CZ 3.7Å; K42-F49 HydrophobicContact CG-CE1 4.15Å; K42-F49 HydrophobicContact CG-CE2 3.7Å; K42-F49 HydrophobicContact CG-CZ 3.48Å; K42-F49 VanDerWaalsContact CG-CZ 3.48Å; K42-F49 PolarHBondContact N-O 3.07Å; K42-F49 PolarHBondContact O-N 3.04Å
43N76.2Confident82Confident110 Ų11065.9 Ų65.959%0.58833%0.331SS*.  trans-84.2107.4167.7-160.7-2.3000110
44R67.5Low82.3Confident170 Ų17064.3 Ų64.364%0.64232%0.324SS*.  trans-122.2-179.5176.5-71.9-87-135.2-1463.3108.3K42 G46K42-R44 HydrophobicContact CD-CG 4.3Å; K42-R44 HydrophobicContact CG-CG 3.88Å; K42-R44 PolarHBondContact O-N 2.79Å; R44-G46 PolarHBondContact O-N 2.86Å
45K58.6Low82.3Confident228 Ų22869.2 Ų69.299%0.99134%0.343SS*.SBendtrans-66.175.7173.2-72.9-173.2168.4-176.10112
46G68.4Low82.3Confident44 Ų4465.6 Ų65.645%0.45433%0.33SS..SBendtrans167.8-174-177.400000110.9R44R44-G46 PolarHBondContact O-N 2.86Å
47P72.8Confident82Confident87 Ų8767.3 Ų67.357%0.56534%0.337SS*.SBendtrans-56.4132.1173.8-22.633.6000110.3
48P83Confident81.9Confident12 Ų1272.3 Ų72.38%0.07834%0.343CS..  trans-60.1142.3176.3-7.314000110.6N16 L17N16-P48 PolarHBondContact N-O 3.35Å; L17-P48 HydrophobicContact CB-CB 4.17Å; L17-P48 PolarHBondContact N-O 2.87Å; L17-P48 VanDerWaalsContact N-O 3.11Å; L17-P48 VanDerWaalsContact O-CD 3.3Å; L17-P48 WeakPolarHBondContact O-CD 3.26Å; L17-P48 WeakPolarHBondContact O-CG 3.4Å
49F87.1Confident81.9Confident50 Ų5067.6 Ų67.622%0.21933%0.327CS..EExtended strand (participates in β ladder)trans-138157.2175.361.5-86.1000110Y13 V14 K42 F51Y13-F49 HydrophobicContact CD2-CB 4.48Å; Y13-F49 HydrophobicContact CD2-CD2 4.31Å; Y13-F49 HydrophobicContact CE2-CB 3.59Å; Y13-F49 AromaticContact CE2-CD2 3.72Å; Y13-F49 HydrophobicContact CE2-CD2 3.72Å; Y13-F49 AromaticContact CE2-CG 3.85Å; Y13-F49 HydrophobicContact CE2-CG 3.85Å; V14-F49 CarbonylContact O-C 3.58Å; V14-F49 WeakPolarHBondContact O-CA 3.14Å; V14-F49 WeakPolarHBondContact O-CB 3.41Å; K42-F49 CarbonylContact C-O 3.57Å; K42-F49 WeakPolarHBondContact CA-O 3.22Å; K42-F49 HydrophobicContact CB-CD2 3.84Å; K42-F49 HydrophobicContact CB-CE1 4.21Å; K42-F49 HydrophobicContact CB-CE2 3.49Å; K42-F49 VanDerWaalsContact CB-CE2 3.49Å; K42-F49 HydrophobicContact CB-CG 4.36Å; K42-F49 HydrophobicContact CB-CZ 3.7Å; K42-F49 HydrophobicContact CG-CE1 4.15Å; K42-F49 HydrophobicContact CG-CE2 3.7Å; K42-F49 HydrophobicContact CG-CZ 3.48Å; K42-F49 VanDerWaalsContact CG-CZ 3.48Å; K42-F49 PolarHBondContact N-O 3.07Å; K42-F49 PolarHBondContact O-N 3.04Å; F49-F51 HydrophobicContact CD2-CE2 4.03Å; F49-F51 HydrophobicContact CD2-CZ 4.38Å; F49-F51 AromaticContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CZ 4.26Å
50A88Confident81.7Confident0 Ų066.4 Ų66.40%032%0.32CS..EExtended strand (participates in β ladder)trans-133.1158175.200000111V14 L17 L26 D40 L41V14-A50 PolarHBondContact N-O 3.11Å; V14-A50 PolarHBondContact O-N 3.42Å; L17-A50 HydrophobicContact CD1-CB 3.84Å; L26-A50 HydrophobicContact CD1-CB 3.32Å; D40-A50 CarbonylContact O-C 3.47Å; D40-A50 WeakPolarHBondContact O-CA 3.36Å; L41-A50 HydrophobicContact CD1-CB 4.04Å
51F88Confident81.5Confident49 Ų4966.7 Ų66.722%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-113136.4161.7-59.9-82.1000109R11 I12 Y13 D40 F49 P82R11-F51 HydrophobicContact CG-CB 4.2Å; I12-F51 VanDerWaalsContact O-CA 3.27Å; I12-F51 WeakPolarHBondContact O-CA 3.38Å; Y13-F51 HydrophobicContact CD2-CD1 4.14Å; Y13-F51 AromaticContact CD2-CE1 3.57Å; Y13-F51 HydrophobicContact CD2-CE1 3.57Å; Y13-F51 AromaticContact CD2-CZ 3.92Å; Y13-F51 HydrophobicContact CD2-CZ 3.92Å; Y13-F51 HydrophobicContact CG-CE1 4.21Å; D40-F51 HydrophobicContact CB-CB 4.36Å; D40-F51 PolarHBondContact N-O 3.5Å; D40-F51 PolarHBondContact O-N 3.07Å; F49-F51 HydrophobicContact CD2-CE2 4.03Å; F49-F51 HydrophobicContact CD2-CZ 4.38Å; F49-F51 AromaticContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CE2 3.8Å; F49-F51 HydrophobicContact CE2-CZ 4.26Å; F51-P82 HydrophobicContact CE1-CB 4.2Å
52I88.4Confident81.3Confident0 Ų068 Ų680%033%0.326CS..EExtended strand (participates in β ladder)trans-123.8125178.2-56.6176.2000106.7R11 I12 V14 L26 F30 I36 Y38 V39 F54R11-I52 CarbonylContact C-O 3.54Å; R11-I52 WeakPolarHBondContact CA-O 3Å; I12-I52 HydrophobicContact CD1-CB 4.13Å; I12-I52 HydrophobicContact CD1-CD1 4.36Å; I12-I52 HydrophobicContact CG1-CB 3.72Å; I12-I52 PolarHBondContact N-O 2.89Å; I12-I52 PolarHBondContact O-N 2.73Å; V14-I52 HydrophobicContact CG2-CD1 3.88Å; V14-I52 HydrophobicContact CG2-CG1 4.34Å; L26-I52 HydrophobicContact CB-CD1 4.06Å; F30-I52 HydrophobicContact CB-CD1 4.11Å; F30-I52 HydrophobicContact CD1-CD1 4.36Å; F30-I52 HydrophobicContact CD2-CD1 3.12Å; F30-I52 HydrophobicContact CE2-CD1 3.49Å; F30-I52 VanDerWaalsContact CE2-CD1 3.49Å; F30-I52 HydrophobicContact CG-CD1 3.61Å; F30-I52 HydrophobicContact CZ-CD1 4.24Å; I36-I52 HydrophobicContact CD1-CG2 4.14Å; I36-I52 HydrophobicContact CG1-CG2 4.02Å; I36-I52 HydrophobicContact CG2-CG2 3.77Å; Y38-I52 WeakPolarHBondContact O-CA 3.37Å; V39-I52 HydrophobicContact CG1-CG1 4.35Å; V39-I52 HydrophobicContact CG2-CG1 4.48Å; V39-I52 HydrophobicContact CG2-CG2 4.45Å; I52-F54 HydrophobicContact CG2-CD2 4.41Å; I52-F54 HydrophobicContact CG2-CE2 4Å; I52-F54 HydrophobicContact CG2-CZ 4.25Å
53E87.1Confident81.4Confident27 Ų2764.7 Ų64.713%0.12631%0.312CS..EExtended strand (participates in β ladder)trans-105.5119.9178.8-171167.6147.400108R11 A37 Y38R11-E53 IonicContact CZ-OE2 3.39Å; R11-E53 IonicContact NE-OE2 3.3Å; R11-E53 PolarHBondContact NE-OE2 3.4Å; R11-E53 IonicContact NH2-OE2 2.66Å; R11-E53 PolarHBondContact NH2-OE2 3.19Å; A37-E53 WeakPolarHBondContact CA-O 3.37Å; A37-E53 WeakPolarHBondContact CB-O 3.28Å; A37-E53 PolarHBondContact N-O 3.37Å; Y38-E53 PolarHBondContact N-O 3.17Å; Y38-E53 PolarHBondContact O-N 2.91Å
54F87.6Confident81.8Confident2 Ų260.5 Ų60.51%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-88.7161.1176-71.8-90.3000111.5N10 I12 F30 F33 K35 I36 I52 D56 D59 A60 A63N10-F54 VanDerWaalsContact CB-O 3.28Å; N10-F54 WeakPolarHBondContact CB-O 3.47Å; N10-F54 PolarHBondContact ND2-O 2.81Å; N10-F54 VanDerWaalsContact ND2-O 3.14Å; N10-F54 PolarHBondContact O-N 3.42Å; I12-F54 HydrophobicContact CD1-CE2 3.72Å; I12-F54 HydrophobicContact CD1-CZ 4.38Å; I12-F54 HydrophobicContact CG1-CE2 3.91Å; I12-F54 HydrophobicContact CG2-CD2 4.4Å; I12-F54 HydrophobicContact CG2-CE2 4.17Å; F30-F54 HydrophobicContact CB-CZ 4.06Å; F30-F54 HydrophobicContact CD1-CZ 4.11Å; F30-F54 HydrophobicContact CG-CZ 4.49Å; F33-F54 HydrophobicContact CB-CE1 4.47Å; K35-F54 CarbonylContact O-C 3.58Å; K35-F54 WeakPolarHBondContact O-CA 3.49Å; I36-F54 HydrophobicContact CG1-CD1 4.33Å; I36-F54 HydrophobicContact CG1-CE1 4.05Å; I52-F54 HydrophobicContact CG2-CD2 4.41Å; I52-F54 HydrophobicContact CG2-CE2 4Å; I52-F54 HydrophobicContact CG2-CZ 4.25Å; F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 WeakPolarHBondContact CB-O 3.49Å; F54-D59 HydrophobicContact CB-CB 4.37Å; F54-D59 HydrophobicContact CD1-CB 3.79Å; F54-D59 HydrophobicContact CE1-CB 4.36Å; F54-D59 HydrophobicContact CG-CB 4.21Å; F54-A60 HydrophobicContact CB-CB 4.29Å; F54-A60 HydrophobicContact CD2-CB 3.63Å; F54-A60 HydrophobicContact CE2-CB 4.3Å; F54-A60 HydrophobicContact CG-CB 4.2Å; F54-A63 HydrophobicContact CE2-CB 3.87Å; F54-A63 HydrophobicContact CZ-CB 3.61Å
55E85.2Confident82.5Confident117 Ų11759.3 Ų59.355%0.54729%0.286SS..SBendtrans-68.3-37.5167.2-129.9-174.3112.200110.9N10 K35N10-E55 PolarHBondContact ND2-O 2.85Å; K35-E55 HydrophobicContact CB-CB 4.07Å; K35-E55 WeakPolarHBondContact CD-OE2 3.29Å; K35-E55 IonicContact NZ-OE1 2.74Å; K35-E55 IonicContact NZ-OE2 3.81Å; K35-E55 PolarHBondContact O-N 3.32Å
56D83.9Confident83.5Confident56 Ų5652 Ų5230%0.29926%0.262SS..  trans-116.2136.1-174.6-116.7-77.8000111.7F54 R58 D59 A60F54-D56 VanDerWaalsContact C-N 3.34Å; F54-D56 WeakPolarHBondContact CB-O 3.49Å; D56-R58 VanDerWaalsContact C-N 3.27Å; D56-R58 VanDerWaalsContact CG-NH2 3.34Å; D56-R58 PolarHBondContact O-N 2.89Å; D56-R58 IonicContact OD1-CZ 2.7Å; D56-R58 VanDerWaalsContact OD1-CZ 3.26Å; D56-R58 IonicContact OD1-NE 2.92Å; D56-R58 PolarHBondContact OD1-NE 3.37Å; D56-R58 IonicContact OD1-NH2 3.94Å; D56-R58 PolarHBondContact OD1-NH2 2.9Å; D56-R58 IonicContact OD2-NH2 2.69Å; D56-R58 PolarHBondContact OD2-NH2 3.17Å; D56-D59 HydrophobicContact CB-CB 4.18Å; D56-D59 PolarHBondContact O-N 2.97Å; D56-A60 PolarHBondContact O-N 2.76Å
57H82.2Confident84Confident71 Ų7151.6 Ų51.633%0.32925%0.247SC..Hα-helixtrans-62.9-34.6173.6174.763.7000112.3E9 N10 D59 A60 E61E9-H57 PolarHBondContact O-ND1 3.42Å; N10-H57 WeakPolarHBondContact OD1-CB 3.5Å; N10-H57 PolarHBondContact OD1-N 3.31Å; H57-D59 VanDerWaalsContact C-N 3.33Å; H57-D59 PolarHBondContact O-N 2.93Å; H57-A60 WeakPolarHBondContact O-CB 3.41Å; H57-A60 PolarHBondContact O-N 2.93Å; H57-E61 IonicContact NE2-OE2 3.97Å; H57-E61 PolarHBondContact O-N 2.78Å
58R82.8Confident84.5Confident168 Ų16849.7 Ų49.763%0.63423%0.232SC*.Hα-helixtrans-63.1-41.1-179.2-65.3171.5-68.8166.62.4111.5D56 A60 E61 D62D56-R58 VanDerWaalsContact C-N 3.27Å; D56-R58 VanDerWaalsContact CG-NH2 3.34Å; D56-R58 PolarHBondContact O-N 2.89Å; D56-R58 IonicContact OD1-CZ 2.7Å; D56-R58 VanDerWaalsContact OD1-CZ 3.26Å; D56-R58 IonicContact OD1-NE 2.92Å; D56-R58 PolarHBondContact OD1-NE 3.37Å; D56-R58 IonicContact OD1-NH2 3.94Å; D56-R58 PolarHBondContact OD1-NH2 2.9Å; D56-R58 IonicContact OD2-NH2 2.69Å; D56-R58 PolarHBondContact OD2-NH2 3.17Å; R58-A60 VanDerWaalsContact C-N 3.33Å; R58-E61 WeakPolarHBondContact O-CB 3.5Å; R58-E61 PolarHBondContact O-N 2.57Å; R58-D62 PolarHBondContact O-N 3.34Å
59D85.5Confident84.1Confident37 Ų3750.6 Ų50.620%0.19824%0.244CC..Hα-helixtrans-64.7-40.2176.3-58.27.6000110.7G34 K35 F54 D56 H57 D62 A63G34-D59 WeakPolarHBondContact CA-OD2 3.2Å; K35-D59 PolarHBondContact N-OD2 2.81Å; F54-D59 HydrophobicContact CB-CB 4.37Å; F54-D59 HydrophobicContact CD1-CB 3.79Å; F54-D59 HydrophobicContact CE1-CB 4.36Å; F54-D59 HydrophobicContact CG-CB 4.21Å; D56-D59 HydrophobicContact CB-CB 4.18Å; D56-D59 PolarHBondContact O-N 2.97Å; H57-D59 VanDerWaalsContact C-N 3.33Å; H57-D59 PolarHBondContact O-N 2.93Å; D59-D62 PolarHBondContact O-N 2.97Å; D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.02Å; D59-A63 PolarHBondContact O-N 3.23Å
60A84.3Confident83.7Confident0 Ų052.8 Ų52.80%025%0.251CS..Hα-helixtrans-63.9-39.7173.700000112.6I12 F54 D56 H57 R58 V64 F81I12-A60 HydrophobicContact CG2-CB 3.77Å; F54-A60 HydrophobicContact CB-CB 4.29Å; F54-A60 HydrophobicContact CD2-CB 3.63Å; F54-A60 HydrophobicContact CE2-CB 4.3Å; F54-A60 HydrophobicContact CG-CB 4.2Å; D56-A60 PolarHBondContact O-N 2.76Å; H57-A60 WeakPolarHBondContact O-CB 3.41Å; H57-A60 PolarHBondContact O-N 2.93Å; R58-A60 VanDerWaalsContact C-N 3.33Å; A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 3.31Å; A60-F81 HydrophobicContact CB-CE1 4.01Å; A60-F81 HydrophobicContact CB-CZ 4.39Å
61E83.1Confident83.3Confident58 Ų5856.8 Ų56.827%0.27127%0.273SS..Hα-helixtrans-64-46173.9-71.2-158.392.100112.5H57 R58 V64 R65 F81H57-E61 IonicContact NE2-OE2 3.97Å; H57-E61 PolarHBondContact O-N 2.78Å; R58-E61 WeakPolarHBondContact O-CB 3.5Å; R58-E61 PolarHBondContact O-N 2.57Å; E61-V64 PolarHBondContact O-N 2.65Å; E61-R65 WeakPolarHBondContact O-CB 3.24Å; E61-R65 WeakPolarHBondContact O-CD 3.34Å; E61-R65 WeakPolarHBondContact O-CG 3.39Å; E61-R65 PolarHBondContact O-N 2.81Å; E61-R65 IonicContact OE1-CZ 2.9Å; E61-R65 IonicContact OE1-NE 3.63Å; E61-R65 IonicContact OE1-NH2 3.39Å; E61-R65 PolarHBondContact OE1-NH2 3.06Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.3Å; E61-F81 HydrophobicContact CB-CZ 4.33Å; E61-F81 HydrophobicContact CG-CE2 4.31Å; E61-F81 HydrophobicContact CG-CZ 3.8Å
62D83.8Confident82.4Confident73 Ų7358 Ų5839%0.3928%0.276SS..Hα-helixtrans-65.9-43.2-179.9-156.165.7000110.9F33 R58 D59 V64 R65 C66F33-D62 HydrophobicContact CD1-CB 4.47Å; F33-D62 WeakPolarHBondContact CD1-OD2 3.26Å; R58-D62 PolarHBondContact O-N 3.34Å; D59-D62 PolarHBondContact O-N 2.97Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.68Å; D62-R65 PolarHBondContact O-N 3.15Å; D62-C66 WeakPolarHBondContact O-CB 3.49Å; D62-C66 PolarHBondContact O-N 3.32Å
63A85.3Confident81.6Confident0 Ų064.6 Ų64.60%031%0.311CS..Hα-helixtrans-55.1-45171.900000112.8I12 F30 F33 F54 D59 R67I12-A63 HydrophobicContact CD1-CB 4.24Å; F30-A63 HydrophobicContact CD1-CB 3.88Å; F30-A63 HydrophobicContact CE1-CB 4.11Å; F33-A63 HydrophobicContact CB-CB 4.08Å; F33-A63 HydrophobicContact CD2-CB 4.12Å; F33-A63 HydrophobicContact CG-CB 4.02Å; F54-A63 HydrophobicContact CE2-CB 3.87Å; F54-A63 HydrophobicContact CZ-CB 3.61Å; D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.02Å; D59-A63 PolarHBondContact O-N 3.23Å; A63-R67 VanDerWaalsContact O-CB 3.24Å; A63-R67 WeakPolarHBondContact O-CB 3.21Å; A63-R67 PolarHBondContact O-N 3.18Å
64V85.4Confident81.1Confident22 Ų2266.6 Ų66.613%0.13334%0.339CS..Hα-helixtrans-62.5-50.5174.9167.70000110.9I12 A60 E61 D62 C66 D68 V79 F81I12-V64 HydrophobicContact CB-CG2 4.18Å; I12-V64 HydrophobicContact CG2-CG2 3.59Å; A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 3.31Å; E61-V64 PolarHBondContact O-N 2.65Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-V64 PolarHBondContact O-N 2.68Å; V64-C66 PolarHBondContact O-N 3.15Å; V64-D68 WeakPolarHBondContact O-CB 3.43Å; V64-D68 PolarHBondContact O-N 3.1Å; V64-V79 HydrophobicContact CB-CG1 4.34Å; V64-V79 HydrophobicContact CG2-CG1 3.84Å; V64-F81 HydrophobicContact CB-CE2 4.11Å; V64-F81 HydrophobicContact CG1-CD2 4.43Å; V64-F81 HydrophobicContact CG1-CE2 4.22Å; V64-F81 HydrophobicContact CG2-CD2 4.07Å; V64-F81 HydrophobicContact CG2-CE1 4.44Å; V64-F81 HydrophobicContact CG2-CE2 3.77Å; V64-F81 HydrophobicContact CG2-CZ 3.98Å
65R82.5Confident80.6Confident145 Ų14570.8 Ų70.855%0.54736%0.356SS..Hα-helixtrans-63.3-40.7-175.3-68.4164.8-168.5-170.77.9112.4E61 D62E61-R65 WeakPolarHBondContact O-CB 3.24Å; E61-R65 WeakPolarHBondContact O-CD 3.34Å; E61-R65 WeakPolarHBondContact O-CG 3.39Å; E61-R65 PolarHBondContact O-N 2.81Å; E61-R65 IonicContact OE1-CZ 2.9Å; E61-R65 IonicContact OE1-NE 3.63Å; E61-R65 IonicContact OE1-NH2 3.39Å; E61-R65 PolarHBondContact OE1-NH2 3.06Å; E61-R65 IonicContact OE2-NH2 3.78Å; E61-R65 PolarHBondContact OE2-NH2 3.3Å; D62-R65 PolarHBondContact O-N 3.15Å
66C80Confident80.4Confident73 Ų7370.4 Ų70.449%0.49335%0.352SS..Hα-helixtrans-89.5-23.1-175.4-69.90000114.9F33 D62 V64F33-C66 HydrophobicContact CD1-CB 4.49Å; F33-C66 HydrophobicContact CE1-CB 3.54Å; F33-C66 HydrophobicContact CZ-CB 3.98Å; D62-C66 WeakPolarHBondContact O-CB 3.49Å; D62-C66 PolarHBondContact O-N 3.32Å; V64-C66 PolarHBondContact O-N 3.15Å
67R79.1Confident80.5Confident36 Ų3668 Ų6814%0.13634%0.339CS..Hα-helixtrans-110.3-13.6-178.4-59.7-56-156.8179.90.6115.5F29 F30 F33 A63 G69 Y70 V79F29-R67 HydrophobicContact CE1-CB 4.28Å; F29-R67 HydrophobicContact CE1-CG 3.8Å; F29-R67 VanDerWaalsContact CE1-NE 3.3Å; F29-R67 VanDerWaalsContact CZ-CD 3.48Å; F29-R67 HydrophobicContact CZ-CG 4.3Å; F30-R67 HydrophobicContact CE1-CB 3.96Å; F30-R67 HydrophobicContact CE1-CG 3.91Å; F30-R67 HydrophobicContact CZ-CB 4.2Å; F30-R67 HydrophobicContact CZ-CG 4.39Å; F33-R67 HydrophobicContact CE2-CG 3.53Å; F33-R67 HydrophobicContact CZ-CG 3.61Å; A63-R67 VanDerWaalsContact O-CB 3.24Å; A63-R67 WeakPolarHBondContact O-CB 3.21Å; A63-R67 PolarHBondContact O-N 3.18Å; R67-G69 PolarHBondContact O-N 3.16Å; R67-Y70 WeakPolarHBondContact O-CB 3.44Å; R67-Y70 PolarHBondContact O-N 3.28Å; R67-Y70 VanDerWaalsContact O-N 3.09Å; R67-V79 HydrophobicContact CB-CG2 3.85Å
68D82.2Confident80.5Confident48 Ų4870.9 Ų70.926%0.25735%0.347SS..THydrogen-bonded Turntrans-62.5117.7169.7178.459.5000111V64 V79 R106V64-D68 WeakPolarHBondContact O-CB 3.43Å; V64-D68 PolarHBondContact O-N 3.1Å; D68-V79 HydrophobicContact CB-CB 4.11Å; D68-V79 WeakPolarHBondContact CB-O 3.13Å; D68-V79 PolarHBondContact OD1-N 3.3Å; D68-R106 PolarHBondContact O-NH2 2.84Å; D68-R106 IonicContact OD2-CZ 3.89Å; D68-R106 IonicContact OD2-NH2 3.04Å; D68-R106 PolarHBondContact OD2-NH2 2.83Å
69G75.6Confident80.7Confident31 Ų3163 Ų6332%0.3232%0.318SS..THydrogen-bonded Turntrans93.12.6-176.700000115.3R67 D71 L77R67-G69 PolarHBondContact O-N 3.16Å; G69-D71 PolarHBondContact O-N 3.26Å; G69-L77 WeakPolarHBondContact CA-O 3.44Å; G69-L77 PolarHBondContact N-O 2.92Å
70Y78.9Confident80.6Confident96 Ų9663.2 Ų63.238%0.37632%0.318SS..  trans-63.6127.4-178.7-173.8-89.1000111.8F29 R67 W72 K76 L77F29-Y70 HydrophobicContact CE2-CD1 4.16Å; F29-Y70 AromaticContact CE2-CE1 3.84Å; F29-Y70 HydrophobicContact CE2-CE1 3.84Å; F29-Y70 AromaticContact CZ-CD1 3.6Å; F29-Y70 HydrophobicContact CZ-CD1 3.6Å; F29-Y70 HydrophobicContact CZ-CD2 4.3Å; F29-Y70 AromaticContact CZ-CE1 3.79Å; F29-Y70 HydrophobicContact CZ-CE1 3.79Å; F29-Y70 HydrophobicContact CZ-CE2 4.44Å; F29-Y70 AromaticContact CZ-CG 3.88Å; F29-Y70 HydrophobicContact CZ-CG 3.88Å; R67-Y70 WeakPolarHBondContact O-CB 3.44Å; R67-Y70 PolarHBondContact O-N 3.28Å; R67-Y70 VanDerWaalsContact O-N 3.09Å; Y70-W72 HydrophobicContact CD1-CB 4.16Å; Y70-W72 HydrophobicContact CD1-CE3 4.38Å; Y70-W72 HydrophobicContact CE1-CB 4.26Å; Y70-W72 AromaticContact CE1-CE3 3.81Å; Y70-W72 HydrophobicContact CE1-CE3 3.81Å; Y70-W72 PolarHBondContact O-N 2.93Å; Y70-K76 WeakPolarHBondContact O-CA 3.17Å; Y70-L77 HydrophobicContact CD1-CD1 4.35Å; Y70-L77 WeakPolarHBondContact O-CG 3.44Å; Y70-L77 PolarHBondContact O-N 3.14Å
71D77.8Confident80.5Confident84 Ų8466.3 Ų66.345%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-79.4103.6176-75.9-72.5000110.8G69 K76G69-D71 PolarHBondContact O-N 3.26Å; D71-K76 WeakPolarHBondContact OD1-CG 3.38Å; D71-K76 IonicContact OD1-NZ 3.93Å; D71-K76 PolarHBondContact OD1-NZ 3.16Å; D71-K76 IonicContact OD2-NZ 3.54Å; D71-K76 PolarHBondContact OD2-NZ 3.35Å
72W70.5Confident79.9Confident75 Ų7565.5 Ų65.528%0.28433%0.331SS..EExtended strand (participates in β ladder)trans-107.8105.8172.4-171.6-68.6000109.6F29 Y70 G74 Y75 L77F29-W72 HydrophobicContact CD2-CE3 4.03Å; F29-W72 HydrophobicContact CD2-CH2 4.41Å; F29-W72 AromaticContact CD2-CZ3 3.42Å; F29-W72 HydrophobicContact CD2-CZ3 3.42Å; F29-W72 VanDerWaalsContact CD2-CZ3 3.42Å; F29-W72 AromaticContact CE2-CE3 3.7Å; F29-W72 HydrophobicContact CE2-CE3 3.7Å; F29-W72 AromaticContact CE2-CZ3 3.51Å; F29-W72 HydrophobicContact CE2-CZ3 3.51Å; F29-W72 HydrophobicContact CG-CZ3 4.19Å; F29-W72 HydrophobicContact CZ-CE3 4.14Å; F29-W72 HydrophobicContact CZ-CZ3 4.35Å; Y70-W72 HydrophobicContact CD1-CB 4.16Å; Y70-W72 HydrophobicContact CD1-CE3 4.38Å; Y70-W72 HydrophobicContact CE1-CB 4.26Å; Y70-W72 AromaticContact CE1-CE3 3.81Å; Y70-W72 HydrophobicContact CE1-CE3 3.81Å; Y70-W72 PolarHBondContact O-N 2.93Å; W72-G74 VanDerWaalsContact C-N 3.27Å; W72-G74 PolarHBondContact O-N 2.83Å; W72-Y75 PolarHBondContact N-O 3.42Å; W72-Y75 WeakPolarHBondContact O-CA 3.5Å; W72-Y75 VanDerWaalsContact O-CB 3.31Å; W72-Y75 WeakPolarHBondContact O-CB 3.46Å; W72-Y75 PolarHBondContact O-N 3.23Å; W72-L77 HydrophobicContact CB-CD1 4.14Å; W72-L77 HydrophobicContact CB-CD2 3.94Å; W72-L77 HydrophobicContact CB-CG 3.99Å
73D71.5Confident78.5Confident137 Ų13772.7 Ų72.773%0.73335%0.352SS*.THydrogen-bonded Turntrans54.939.3177-159.642.1000113.8Y75D73-Y75 VanDerWaalsContact O-CD2 3.27Å; D73-Y75 WeakPolarHBondContact O-CD2 3.47Å; D73-Y75 PolarHBondContact O-N 3.44Å
74G75.9Confident76.7Confident70 Ų7075 Ų7572%0.72238%0.376SS*.THydrogen-bonded Turntrans80.2-8.6-17400000115.1W72W72-G74 VanDerWaalsContact C-N 3.27Å; W72-G74 PolarHBondContact O-N 2.83Å
75Y76.8Confident74.6Confident89 Ų8980.4 Ų80.435%0.34942%0.415SS..EExtended strand (participates in β ladder)trans-91.1109.8173.1-61.9-94.9000110.4P18 W72 D73 L77P18-Y75 HydrophobicContact CB-CD2 3.63Å; P18-Y75 HydrophobicContact CB-CE2 3.83Å; P18-Y75 HydrophobicContact CB-CG 4.1Å; W72-Y75 PolarHBondContact N-O 3.42Å; W72-Y75 WeakPolarHBondContact O-CA 3.5Å; W72-Y75 VanDerWaalsContact O-CB 3.31Å; W72-Y75 WeakPolarHBondContact O-CB 3.46Å; W72-Y75 PolarHBondContact O-N 3.23Å; D73-Y75 VanDerWaalsContact O-CD2 3.27Å; D73-Y75 WeakPolarHBondContact O-CD2 3.47Å; D73-Y75 PolarHBondContact O-N 3.44Å; Y75-L77 PolarHBondContact O-N 2.95Å; Y75-L77 VanDerWaalsContact O-N 3.16Å
76K81.5Confident72.4Confident110 Ų11077.1 Ų77.148%0.47843%0.427SS..EExtended strand (participates in β ladder)trans-69.7106.4172.2-72.7-174.4-177.2-560110.5N16 Y70 D71 R78N16-K76 WeakPolarHBondContact CB-O 3.31Å; N16-K76 PolarHBondContact ND2-N 3.42Å; N16-K76 PolarHBondContact ND2-O 3.15Å; Y70-K76 WeakPolarHBondContact O-CA 3.17Å; D71-K76 WeakPolarHBondContact OD1-CG 3.38Å; D71-K76 IonicContact OD1-NZ 3.93Å; D71-K76 PolarHBondContact OD1-NZ 3.16Å; D71-K76 IonicContact OD2-NZ 3.54Å; D71-K76 PolarHBondContact OD2-NZ 3.35Å; K76-R78 PolarHBondContact O-N 2.83Å
77L85.2Confident70.6Confident4 Ų478.7 Ų78.72%0.02144%0.439CS..  trans-66127.5178.2-54-165.5000109.6L17 F29 G69 Y70 W72 Y75L17-L77 HydrophobicContact CD2-CD1 4.37Å; L17-L77 HydrophobicContact CD2-CD2 3.79Å; F29-L77 HydrophobicContact CE1-CD1 3.97Å; F29-L77 HydrophobicContact CZ-CD1 4.26Å; G69-L77 WeakPolarHBondContact CA-O 3.44Å; G69-L77 PolarHBondContact N-O 2.92Å; Y70-L77 HydrophobicContact CD1-CD1 4.35Å; Y70-L77 WeakPolarHBondContact O-CG 3.44Å; Y70-L77 PolarHBondContact O-N 3.14Å; W72-L77 HydrophobicContact CB-CD1 4.14Å; W72-L77 HydrophobicContact CB-CD2 3.94Å; W72-L77 HydrophobicContact CB-CG 3.99Å; Y75-L77 PolarHBondContact O-N 2.95Å; Y75-L77 VanDerWaalsContact O-N 3.16Å
78R82.9Confident69Low132 Ų13286.8 Ų86.850%0.49848%0.478SS..EExtended strand (participates in β ladder)trans-98.9116.4173.5174.7179.2172.6176.7-3.6108.5V14 G15 K76 E80V14-R78 CarbonylContact C-O 3.47Å; V14-R78 WeakPolarHBondContact CA-O 3.3Å; G15-R78 PolarHBondContact N-O 3.12Å; G15-R78 PolarHBondContact O-N 3.49Å; K76-R78 PolarHBondContact O-N 2.83Å; R78-E80 IonicContact CZ-OE2 3.39Å; R78-E80 IonicContact NE-OE2 3.29Å; R78-E80 PolarHBondContact NE-OE2 3Å; R78-E80 IonicContact NH2-OE2 2.67Å; R78-E80 PolarHBondContact NH2-OE2 2.94Å
79V86.7Confident67Low3 Ų390.5 Ų90.52%0.01850%0.502CS..EExtended strand (participates in β ladder)trans-115.2117179.8-166.70000108.8I12 Y13 V14 F30 V64 R67 D68I12-V79 HydrophobicContact CB-CG1 4.31Å; I12-V79 HydrophobicContact CD1-CG1 3.74Å; Y13-V79 WeakPolarHBondContact O-CA 3.46Å; V14-V79 HydrophobicContact CG1-CG2 4.28Å; V14-V79 HydrophobicContact CG2-CG1 4.34Å; V14-V79 HydrophobicContact CG2-CG2 4.45Å; F30-V79 HydrophobicContact CE1-CG1 4.43Å; F30-V79 HydrophobicContact CZ-CG2 4.14Å; V64-V79 HydrophobicContact CB-CG1 4.34Å; V64-V79 HydrophobicContact CG2-CG1 3.84Å; R67-V79 HydrophobicContact CB-CG2 3.85Å; D68-V79 HydrophobicContact CB-CB 4.11Å; D68-V79 WeakPolarHBondContact CB-O 3.13Å; D68-V79 PolarHBondContact OD1-N 3.3Å
80E84.2Confident65.2Low42 Ų4292.1 Ų92.120%0.19652%0.519CS..EExtended strand (participates in β ladder)trans-140.3152.5-176.1-165179.8170.700109.6Y13 R78 R83Y13-E80 WeakPolarHBondContact CA-O 3.32Å; Y13-E80 WeakPolarHBondContact CB-O 3.22Å; Y13-E80 PolarHBondContact N-O 3.23Å; Y13-E80 PolarHBondContact O-N 2.9Å; R78-E80 IonicContact CZ-OE2 3.39Å; R78-E80 IonicContact NE-OE2 3.29Å; R78-E80 PolarHBondContact NE-OE2 3Å; R78-E80 IonicContact NH2-OE2 2.67Å; R78-E80 PolarHBondContact NH2-OE2 2.94Å; E80-R83 IonicContact OE1-CZ 3.21Å; E80-R83 IonicContact OE1-NE 2.73Å; E80-R83 PolarHBondContact OE1-NE 3.19Å; E80-R83 IonicContact OE1-NH2 2.82Å; E80-R83 PolarHBondContact OE1-NH2 3.26Å
81F82.2Confident63.5Low65 Ų6595.6 Ų95.629%0.28554%0.541SS..  trans-66.3137165.4-72.4-77.8000110.4R11 I12 A60 E61 V64 R83R11-F81 WeakPolarHBondContact O-CD1 3.45Å; I12-F81 HydrophobicContact CG2-CE1 4.24Å; A60-F81 HydrophobicContact CB-CE1 4.01Å; A60-F81 HydrophobicContact CB-CZ 4.39Å; E61-F81 HydrophobicContact CB-CZ 4.33Å; E61-F81 HydrophobicContact CG-CE2 4.31Å; E61-F81 HydrophobicContact CG-CZ 3.8Å; V64-F81 HydrophobicContact CB-CE2 4.11Å; V64-F81 HydrophobicContact CG1-CD2 4.43Å; V64-F81 HydrophobicContact CG1-CE2 4.22Å; V64-F81 HydrophobicContact CG2-CD2 4.07Å; V64-F81 HydrophobicContact CG2-CE1 4.44Å; V64-F81 HydrophobicContact CG2-CE2 3.77Å; V64-F81 HydrophobicContact CG2-CZ 3.98Å; F81-R83 PolarHBondContact O-N 2.87Å; F81-R83 VanDerWaalsContact O-N 3.1Å
82P70.8Confident61.7Low40 Ų40102.6 Ų102.626%0.2656%0.561SS.*  trans-63.6115.6178.927.6-33.1000109.3R11 F51 G84R11-P82 HydrophobicContact CB-CG 4.17Å; R11-P82 HydrophobicContact CG-CG 4.19Å; R11-P82 WeakPolarHBondContact O-CD 3.28Å; F51-P82 HydrophobicContact CE1-CB 4.2Å; P82-G84 PolarHBondContact O-N 3.34Å
83R54.7Low60.1Low224 Ų224103 Ų10385%0.84559%0.588SS**  trans-67.992.8-179.7-66.1-172.9-175-149.3-5.3111E80 F81E80-R83 IonicContact OE1-CZ 3.21Å; E80-R83 IonicContact OE1-NE 2.73Å; E80-R83 PolarHBondContact OE1-NE 3.19Å; E80-R83 IonicContact OE1-NH2 2.82Å; E80-R83 PolarHBondContact OE1-NH2 3.26Å; F81-R83 PolarHBondContact O-N 2.87Å; F81-R83 VanDerWaalsContact O-N 3.1Å
84G47.6Very low59Low49 Ų49108.4 Ų108.451%0.50560%0.599SS.*  trans-150.3101.9-178.500000113.8P82P82-G84 PolarHBondContact O-N 3.34Å
85S39.9Very low57.3Low135 Ų135109.4 Ų109.494%0.94459%0.594SS**SBendtrans71.1111.2165.8-157.30000118.5
86G35.8Very low55.7Low77 Ų77112.7 Ų112.779%0.79462%0.618SS**  trans102.854.314100000119.9
87S43.4Very low53.9Low106 Ų106116.7 Ų116.774%0.74164%0.636SS**  trans-141.777.2147.7-160.30000112.1T89S87-T89 PolarHBondContact O-N 3.21Å; S87-T89 VanDerWaalsContact O-N 3.11Å
88Q44.3Very low51.7Low206 Ų206119.7 Ų119.796%0.96367%0.668SS**  trans-7866.2160.8-82.9-172.2-11.800109.7
89T41.1Very low49.7Very low125 Ų125125.6 Ų125.677%0.76769%0.69SS**  trans-138.9113.1171.7-55.70000109.3S87S87-T89 PolarHBondContact O-N 3.21Å; S87-T89 VanDerWaalsContact O-N 3.11Å
90G37Very low47.8Very low66 Ų66131.3 Ų131.368%0.6873%0.73SS**SBendtrans103.492.216900000116.4
91M43Very low45.5Very low168 Ų168133 Ų13383%0.82876%0.759SS**  trans70.2119.3136.4-64.3-85.516700120.3
92R40.6Very low43.5Very low232 Ų232133.7 Ų133.788%0.87578%0.784SS**  trans76.789.4141.6-63.4175.6174.3-167.7-3.4119.4
93G37.1Very low42.4Very low83 Ų83134.9 Ų134.986%0.85680%0.803SS**  43.993.9125.100000118.8
94R48.6Very low42Very low251 Ų251128.7 Ų128.795%0.94779%0.792SS**  trans-111.487.2170.6-17073.8162-147.4-5.8110.1
95S40.6Very low42Very low90 Ų90130.6 Ų130.663%0.62980%0.798SS**  trans-69.6155.6173.145.90000112.4F97S95-F97 PolarHBondContact O-N 3.5Å; S95-F97 VanDerWaalsContact O-N 3.1Å
96N43.2Very low42.6Very low158 Ų158129.7 Ų129.785%0.84577%0.774SS**  trans-47.4109.2178.7-72.716000114.1
97F43.5Very low43.5Very low195 Ų195130.6 Ų130.686%0.85576%0.757SS**  trans-143126.5146.9-64.3-84.5000106.8S95S95-F97 PolarHBondContact O-N 3.5Å; S95-F97 VanDerWaalsContact O-N 3.1Å
98G38.6Very low44.3Very low67 Ų67126.8 Ų126.869%0.69173%0.73SS**  cis12165.715.900000110.3S100G98-S100 PolarHBondContact O-N 2.65Å
99R40.5Very low45.4Very low256 Ų256123.8 Ų123.897%0.96672%0.72SS**  trans31.782.8152.8-165.1-174.7-169.1-145.44.5116.3
100S46.2Very low47.3Very low122 Ų122121.4 Ų121.485%0.85370%0.698SS**  trans-149145.9150.8-160.80000110.2G98G98-S100 PolarHBondContact O-N 2.65Å
101G36.2Very low49.5Very low79 Ų79120.5 Ų120.581%0.81467%0.674SS**  trans-74.9150.2-179.800000112.3
102G41.7Very low51.6Low78 Ų78112.5 Ų112.580%0.80463%0.634SS**  trans169.5128177.300000109.2
103G47.3Very low53.8Low65 Ų65103.9 Ų103.967%0.6761%0.605SS**  trans-60.9171.1176.200000112.5S105G103-S105 PolarHBondContact O-N 3.24Å
104P46.2Very low56.2Low94 Ų9499.9 Ų99.961%0.6157%0.565SS**  trans-58.6116.1-173.925-34.3000110.6R106P104-R106 HydrophobicContact CB-CG 4.42Å; P104-R106 PolarHBondContact O-N 3.19Å
105S48.1Very low58.2Low90 Ų9089.8 Ų89.863%0.62953%0.531SS*.  trans-69.367.2174.6-176.60000110G103 H107G103-S105 PolarHBondContact O-N 3.24Å; S105-H107 PolarHBondContact O-N 2.93Å; S105-H107 VanDerWaalsContact O-N 3.13Å; S105-H107 PolarHBondContact OG-CD2 2.83Å; S105-H107 PolarHBondContact OG-NE2 2.93Å
106R52.2Low60.2Low116 Ų11687.4 Ų87.444%0.43852%0.52SS..  trans-81.552.1165.6-62.2-170.8-173-169.67.1108.7D68 P104 T108D68-R106 PolarHBondContact O-NH2 2.84Å; D68-R106 IonicContact OD2-CZ 3.89Å; D68-R106 IonicContact OD2-NH2 3.04Å; D68-R106 PolarHBondContact OD2-NH2 2.83Å; P104-R106 HydrophobicContact CB-CG 4.42Å; P104-R106 PolarHBondContact O-N 3.19Å; R106-T108 PolarHBondContact O-N 2.91Å
107H53.6Low62Low95 Ų9580.4 Ų80.444%0.4448%0.483SS..  trans-65.399.1174.8-66.2-40.7000108.8S105 E150S105-H107 PolarHBondContact O-N 2.93Å; S105-H107 VanDerWaalsContact O-N 3.13Å; S105-H107 PolarHBondContact OG-CD2 2.83Å; S105-H107 PolarHBondContact OG-NE2 2.93Å; H107-E150 WeakPolarHBondContact CA-OE2 3.42Å; H107-E150 IonicContact CE1-OE2 2.73Å; H107-E150 IonicContact CG-OE2 3.95Å; H107-E150 IonicContact ND1-OE1 3.26Å; H107-E150 PolarHBondContact ND1-OE1 2.79Å; H107-E150 IonicContact ND1-OE2 2.93Å; H107-E150 PolarHBondContact ND1-OE2 3.09Å
108T60.7Low63.8Low27 Ų2771.4 Ų71.417%0.16644%0.444CS..  trans-74.9161.2162.159.30000108.4R106 Y110 Y151R106-T108 PolarHBondContact O-N 2.91Å; T108-Y110 HydrophobicContact CG2-CD2 4.44Å; T108-Y110 PolarHBondContact O-N 2.99Å; T108-Y151 WeakPolarHBondContact CB-O 3.47Å; T108-Y151 PolarHBondContact OG1-O 3.37Å
109N67.2Low65.6Low142 Ų14273.8 Ų73.876%0.75945%0.447SS*.SBendtrans-78.81174.6-61.5-48.1000112.3R111N109-R111 PolarHBondContact O-N 3.39Å
110Y80.2Confident67.4Low75 Ų7563.5 Ų63.529%0.29441%0.413SS..  trans-9662.9-170.6-48-53000110.8T108 E150 Y151 E154 M157T108-Y110 HydrophobicContact CG2-CD2 4.44Å; T108-Y110 PolarHBondContact O-N 2.99Å; Y110-E150 WeakPolarHBondContact O-CA 3.45Å; Y110-Y151 PolarHBondContact O-N 2.86Å; Y110-E154 HydrophobicContact CD1-CB 3.76Å; Y110-E154 HydrophobicContact CD1-CG 3.86Å; Y110-E154 HydrophobicContact CE1-CB 3.48Å; Y110-E154 VanDerWaalsContact CE1-CB 3.48Å; Y110-E154 HydrophobicContact CE1-CG 3.71Å; Y110-E154 HydrophobicContact CG-CB 4.42Å; Y110-M157 VanDerWaalsContact CA-SD 3.55Å; Y110-M157 HydrophobicContact CD1-SD 4.39Å
111R83.5Confident68.8Low47 Ų4758.2 Ų58.218%0.17738%0.377CS..EExtended strand (participates in β ladder)trans-100.7130.3-175.8-176.3171.1178-120.53.3110.9N109 V149 E150 D184N109-R111 PolarHBondContact O-N 3.39Å; R111-V149 CarbonylContact C-O 3.47Å; R111-V149 WeakPolarHBondContact CA-O 3.04Å; R111-E150 HydrophobicContact CB-CG 4.06Å; R111-E150 HydrophobicContact CG-CG 3.97Å; R111-D184 HydrophobicContact CB-CB 4.05Å; R111-D184 WeakPolarHBondContact CD-OD2 3.46Å; R111-D184 HydrophobicContact CG-CB 3.88Å; R111-D184 IonicContact CZ-OD2 2.68Å; R111-D184 IonicContact NE-OD2 3.06Å; R111-D184 IonicContact NH1-OD1 3.67Å; R111-D184 PolarHBondContact NH1-OD1 3.11Å; R111-D184 IonicContact NH1-OD2 2.7Å; R111-D184 PolarHBondContact NH1-OD2 3.39Å; R111-D184 WeakPolarHBondContact O-CB 3.37Å; R111-D184 PolarHBondContact O-N 2.79Å
112V87.5Confident71Confident0 Ų055.7 Ų55.70%035%0.347CS..EExtended strand (participates in β ladder)trans-111.9147.6168.3-570000110.6V114 M130 V148 V149 Y151 M157 L161 V181 R182V112-V114 HydrophobicContact CG2-CG2 4.38Å; V112-M130 HydrophobicContact CG2-CE 3.57Å; V112-V148 WeakPolarHBondContact O-CA 3.47Å; V112-V149 HydrophobicContact CG2-CB 3.76Å; V112-V149 HydrophobicContact CG2-CG1 4.48Å; V112-V149 PolarHBondContact N-O 2.7Å; V112-V149 PolarHBondContact O-N 2.69Å; V112-Y151 HydrophobicContact CG2-CD2 4.49Å; V112-Y151 HydrophobicContact CG2-CE2 3.95Å; V112-M157 HydrophobicContact CG1-CG 3.55Å; V112-L161 HydrophobicContact CG1-CD1 4.15Å; V112-L161 HydrophobicContact CG1-CD2 3.97Å; V112-L161 HydrophobicContact CG1-CG 3.95Å; V112-V181 HydrophobicContact CB-CG1 3.69Å; V112-V181 HydrophobicContact CG1-CG1 4.1Å; V112-V181 HydrophobicContact CG2-CG1 3.74Å; V112-R182 CarbonylContact C-O 3.5Å; V112-R182 VanDerWaalsContact CA-O 3.22Å; V112-R182 WeakPolarHBondContact CA-O 2.88Å; V112-R182 WeakPolarHBondContact CB-O 3.4Å
113L87.5Confident73.1Confident51 Ų5157.6 Ų57.627%0.26733%0.33SS..EExtended strand (participates in β ladder)trans-108.6115.7177.9-148.4163.5000107.5T115 V148 R182L113-T115 HydrophobicContact CD2-CG2 3.74Å; L113-V148 HydrophobicContact CG-CG1 4.05Å; L113-R182 PolarHBondContact N-O 2.99Å; L113-R182 PolarHBondContact O-N 2.79Å
114V88Confident75Confident0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-97.5136.5-178.3-173.30000108.4V112 L117 L126 M130 T146 G147 V149 I179 R180 V181V112-V114 HydrophobicContact CG2-CG2 4.38Å; V114-L117 HydrophobicContact CG1-CD1 4.33Å; V114-L117 HydrophobicContact CG1-CD2 4.24Å; V114-L117 HydrophobicContact CG1-CG 4.22Å; V114-L126 HydrophobicContact CB-CD1 4.39Å; V114-L126 HydrophobicContact CG1-CD1 4.02Å; V114-L126 HydrophobicContact CG2-CD1 4.21Å; V114-M130 HydrophobicContact CG2-CE 3.85Å; V114-M130 HydrophobicContact CG2-SD 4.45Å; V114-T146 CarbonylContact O-C 3.53Å; V114-T146 VanDerWaalsContact O-CA 3.31Å; V114-T146 WeakPolarHBondContact O-CA 3.23Å; V114-G147 PolarHBondContact N-O 2.82Å; V114-G147 PolarHBondContact O-N 3.02Å; V114-V149 HydrophobicContact CG2-CG2 3.88Å; V114-I179 HydrophobicContact CG1-CB 3.78Å; V114-I179 HydrophobicContact CG1-CD1 4.04Å; V114-I179 HydrophobicContact CG1-CG2 3.96Å; V114-R180 CarbonylContact C-O 3.54Å; V114-R180 WeakPolarHBondContact CA-O 3.45Å; V114-V181 HydrophobicContact CG2-CG2 4.4Å
115T88.8Confident76.9Confident38 Ų3857 Ų5723%0.23330%0.303CS..EExtended strand (participates in β ladder)trans-138.2152.8-178.557.60000110.4L113 T146 I179 R180L113-T115 HydrophobicContact CD2-CG2 3.74Å; T115-T146 HydrophobicContact CG2-CG2 4.02Å; T115-I179 WeakPolarHBondContact O-CA 3.3Å; T115-R180 PolarHBondContact N-O 3.14Å; T115-R180 PolarHBondContact O-N 2.87Å; T115-R180 PolarHBondContact OG1-O 2.91Å
116G83.3Confident78.7Confident40 Ų4052.8 Ų52.841%0.41227%0.273SS..  trans85.624.4-174.300000113.4G145 S177G116-G145 PolarHBondContact N-O 3.21Å; G116-S177 WeakPolarHBondContact O-CB 3.47Å
117L81.8Confident80.3Confident11 Ų1150.8 Ų50.86%0.05827%0.268CS..  trans-72.5142.2171.6-67.3166.1000110.2V114 L126 V141 G145 F169 I179V114-L117 HydrophobicContact CG1-CD1 4.33Å; V114-L117 HydrophobicContact CG1-CD2 4.24Å; V114-L117 HydrophobicContact CG1-CG 4.22Å; L117-L126 HydrophobicContact CD1-CD2 4.04Å; L117-L126 HydrophobicContact CD2-CD1 4.12Å; L117-V141 HydrophobicContact CD1-CB 4.47Å; L117-V141 HydrophobicContact CD1-CG1 3.87Å; L117-V141 HydrophobicContact CD1-CG2 3.83Å; L117-G145 PolarHBondContact N-O 2.9Å; L117-G145 WeakPolarHBondContact O-CA 3.35Å; L117-F169 HydrophobicContact CD2-CD1 4.01Å; L117-F169 HydrophobicContact CD2-CD2 4.15Å; L117-F169 HydrophobicContact CD2-CE1 3.95Å; L117-F169 HydrophobicContact CD2-CE2 4.12Å; L117-F169 HydrophobicContact CD2-CG 4.08Å; L117-F169 HydrophobicContact CD2-CZ 3.98Å; L117-I179 HydrophobicContact CD2-CG2 3.47Å; L117-I179 VanDerWaalsContact CD2-CG2 3.47Å; L117-I179 HydrophobicContact CG-CG2 4.16Å
118P79.8Confident81.9Confident7 Ų750.4 Ų50.45%0.04527%0.269CS..  trans-63.8151.717127.8-32.9000110.1T120 G121 F169 S171 E175P118-T120 PolarHBondContact O-N 3.12Å; P118-T120 VanDerWaalsContact O-N 3.17Å; P118-G121 PolarHBondContact O-N 3.16Å; P118-F169 VanDerWaalsContact CD-CE1 3.49Å; P118-F169 HydrophobicContact CG-CD1 3.71Å; P118-F169 HydrophobicContact CG-CE1 3.56Å; P118-S171 WeakPolarHBondContact CG-OG 3.4Å; P118-E175 HydrophobicContact CB-CB 4.21Å; P118-E175 WeakPolarHBondContact CB-OE2 3.46Å
119P76.7Confident83.1Confident116 Ų11650.6 Ų50.675%0.75327%0.268SS*.THydrogen-bonded Turntrans-65.4-19.1-179.929-35.8000113
120T79.2Confident83.9Confident41 Ų4143.9 Ų43.925%0.25223%0.232SC..THydrogen-bonded Turntrans-85.5-8.6172.461.10000113.7P118 S122 S171 H172 E173 E175P118-T120 PolarHBondContact O-N 3.12Å; P118-T120 VanDerWaalsContact O-N 3.17Å; T120-S122 PolarHBondContact O-N 3.13Å; T120-S171 WeakPolarHBondContact OG1-CB 3.48Å; T120-S171 PolarHBondContact OG1-OG 3.08Å; T120-H172 PolarHBondContact O-CE1 2.92Å; T120-E173 HydrophobicContact CG2-CB 4.19Å; T120-E173 HydrophobicContact CG2-CG 3.98Å; T120-E175 WeakPolarHBondContact CB-OE2 3.47Å; T120-E175 HydrophobicContact CG2-CG 4.49Å; T120-E175 WeakPolarHBondContact CG2-OE2 3.28Å; T120-E175 PolarHBondContact OG1-OE2 2.88Å
121G74.4Confident84.2Confident10 Ų1047.1 Ų47.110%0.10324%0.244CC..  trans-67.9117.6-170.900000112.3P118 V141 S171P118-G121 PolarHBondContact O-N 3.16Å; G121-V141 WeakPolarHBondContact O-CG1 3.24Å; G121-S171 WeakPolarHBondContact CA-OG 3.37Å; G121-S171 PolarHBondContact N-OG 2.86Å
122S83.3Confident84.2Confident26 Ų2650.5 Ų50.518%0.18226%0.261CS..  trans-78.9151.1175.3-177.50000111.3T120 Q124 D125 L126T120-S122 PolarHBondContact O-N 3.13Å; S122-Q124 PolarHBondContact O-N 2.76Å; S122-Q124 PolarHBondContact OG-N 3.02Å; S122-Q124 VanDerWaalsContact OG-N 3.16Å; S122-D125 WeakPolarHBondContact CB-OD2 3.4Å; S122-D125 PolarHBondContact N-OD2 2.99Å; S122-D125 WeakPolarHBondContact O-CB 3.47Å; S122-D125 PolarHBondContact O-N 2.77Å; S122-D125 VanDerWaalsContact O-N 3.15Å; S122-L126 PolarHBondContact O-N 2.7Å
123W86.9Confident83.9Confident119 Ų11951 Ų5145%0.45127%0.266SS..Hα-helixtrans-60.4-22.716666.3-94.2000112.3K127 V141W123-K127 VanDerWaalsContact O-CB 3.27Å; W123-K127 WeakPolarHBondContact O-CB 3.39Å; W123-K127 PolarHBondContact O-N 2.67Å; W123-V141 HydrophobicContact CB-CB 4.25Å; W123-V141 HydrophobicContact CB-CG2 3.9Å
124Q85.8Confident83.7Confident116 Ų11649.4 Ų49.454%0.54226%0.262SS..Hα-helixtrans-67.4-50.2172.3-66.8179-34.700110.9S122 L126 K127 D128S122-Q124 PolarHBondContact O-N 2.76Å; S122-Q124 PolarHBondContact OG-N 3.02Å; S122-Q124 VanDerWaalsContact OG-N 3.16Å; Q124-L126 VanDerWaalsContact C-N 3.27Å; Q124-L126 PolarHBondContact O-N 3.3Å; Q124-K127 PolarHBondContact O-N 2.86Å; Q124-D128 WeakPolarHBondContact O-CB 3.33Å; Q124-D128 PolarHBondContact O-N 2.79Å
125D85.9Confident83.5Confident31 Ų3154.6 Ų54.617%0.16629%0.29CS..Hα-helixtrans-58.7-42.4174.8-60.2-37.1000109.8S122 D128 H129 F169 H172S122-D125 WeakPolarHBondContact CB-OD2 3.4Å; S122-D125 PolarHBondContact N-OD2 2.99Å; S122-D125 WeakPolarHBondContact O-CB 3.47Å; S122-D125 PolarHBondContact O-N 2.77Å; S122-D125 VanDerWaalsContact O-N 3.15Å; D125-D128 WeakPolarHBondContact O-CB 3.34Å; D125-D128 PolarHBondContact O-N 2.76Å; D125-H129 WeakPolarHBondContact O-CB 3.4Å; D125-H129 PolarHBondContact O-N 2.65Å; D125-F169 VanDerWaalsContact C-CE2 3.5Å; D125-F169 HydrophobicContact CB-CE1 4.49Å; D125-F169 HydrophobicContact CB-CE2 3.88Å; D125-F169 HydrophobicContact CB-CZ 3.49Å; D125-F169 VanDerWaalsContact CB-CZ 3.49Å; D125-H172 IonicContact OD2-CE1 3.97Å; D125-H172 IonicContact OD2-CG 2.79Å; D125-H172 PolarHBondContact OD2-N 3.28Å; D125-H172 VanDerWaalsContact OD2-N 3.16Å; D125-H172 IonicContact OD2-ND1 3.88Å; D125-H172 PolarHBondContact OD2-ND1 2.74Å
126L86.5Confident83.3Confident0 Ų053.4 Ų53.40%028%0.282CS..Hα-helixtrans-62.6-45.5176.1-178.858.9000112.1V114 L117 S122 Q124 D128 H129 M130 V141 V149 F169V114-L126 HydrophobicContact CB-CD1 4.39Å; V114-L126 HydrophobicContact CG1-CD1 4.02Å; V114-L126 HydrophobicContact CG2-CD1 4.21Å; L117-L126 HydrophobicContact CD1-CD2 4.04Å; L117-L126 HydrophobicContact CD2-CD1 4.12Å; S122-L126 PolarHBondContact O-N 2.7Å; Q124-L126 VanDerWaalsContact C-N 3.27Å; Q124-L126 PolarHBondContact O-N 3.3Å; L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 PolarHBondContact O-N 3.01Å; L126-H129 PolarHBondContact O-N 2.98Å; L126-M130 HydrophobicContact CD1-CG 3.57Å; L126-M130 HydrophobicContact CD1-SD 4.43Å; L126-M130 HydrophobicContact CG-CG 4.16Å; L126-M130 WeakPolarHBondContact O-CB 3.27Å; L126-M130 WeakPolarHBondContact O-CG 3.48Å; L126-M130 PolarHBondContact O-N 3.3Å; L126-V141 HydrophobicContact CB-CG2 3.97Å; L126-V141 HydrophobicContact CD2-CG2 3.51Å; L126-V141 HydrophobicContact CG-CG2 4.39Å; L126-V149 HydrophobicContact CD1-CG2 4.29Å; L126-V149 HydrophobicContact CD2-CG2 3.62Å; L126-V149 HydrophobicContact CG-CG2 3.84Å; L126-F169 HydrophobicContact CB-CE2 4.28Å
127K86.6Confident83.3Confident75 Ų7553.8 Ų53.833%0.32628%0.278SS..Hα-helixtrans-65.1-32.6175.8-171.8169.4-174.71730112W123 Q124 R131 V136 A139W123-K127 VanDerWaalsContact O-CB 3.27Å; W123-K127 WeakPolarHBondContact O-CB 3.39Å; W123-K127 PolarHBondContact O-N 2.67Å; Q124-K127 PolarHBondContact O-N 2.86Å; K127-R131 PolarHBondContact O-N 3.34Å; K127-V136 HydrophobicContact CD-CG1 4.28Å; K127-V136 WeakPolarHBondContact CE-O 3.41Å; K127-V136 HydrophobicContact CG-CB 4.14Å; K127-V136 HydrophobicContact CG-CG1 3.91Å; K127-V136 PolarHBondContact NZ-O 3.19Å; K127-V136 VanDerWaalsContact NZ-O 3.12Å; K127-A139 HydrophobicContact CB-CB 3.84Å; K127-A139 HydrophobicContact CD-CB 4.45Å; K127-A139 HydrophobicContact CG-CB 4.32Å
128D87.2Confident83.2Confident87 Ų8757.6 Ų57.647%0.46529%0.292SS..Hα-helixtrans-64.4-53.5174.5-160.3102.9000110.9Q124 D125 L126 M130 R131Q124-D128 WeakPolarHBondContact O-CB 3.33Å; Q124-D128 PolarHBondContact O-N 2.79Å; D125-D128 WeakPolarHBondContact O-CB 3.34Å; D125-D128 PolarHBondContact O-N 2.76Å; L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 PolarHBondContact O-N 3.01Å; D128-M130 PolarHBondContact O-N 3.39Å; D128-R131 VanDerWaalsContact CA-NH2 3.34Å; D128-R131 VanDerWaalsContact O-CG 3.28Å; D128-R131 WeakPolarHBondContact O-CG 3.32Å; D128-R131 PolarHBondContact O-N 2.73Å; D128-R131 IonicContact OD1-CZ 3.79Å; D128-R131 IonicContact OD1-NH1 3.3Å; D128-R131 PolarHBondContact OD1-NH1 2.93Å; D128-R131 IonicContact OD1-NH2 3.34Å; D128-R131 PolarHBondContact OD1-NH2 3.03Å; D128-R131 IonicContact OD2-CZ 3.3Å; D128-R131 IonicContact OD2-NH1 2.67Å; D128-R131 PolarHBondContact OD2-NH1 2.95Å
129H84.8Confident83.6Confident31 Ų3157.9 Ų57.914%0.14430%0.295CS..Hα-helixtrans-61.5-43.9178.5-16576.9000112.9D125 L126 R131 E132 S167 K168 F169 I179D125-H129 WeakPolarHBondContact O-CB 3.4Å; D125-H129 PolarHBondContact O-N 2.65Å; L126-H129 PolarHBondContact O-N 2.98Å; H129-R131 VanDerWaalsContact C-N 3.26Å; H129-R131 PolarHBondContact O-N 2.91Å; H129-E132 WeakPolarHBondContact O-CB 3.43Å; H129-E132 PolarHBondContact O-N 3.43Å; H129-S167 PolarHBondContact CE1-OG 3.11Å; H129-S167 VanDerWaalsContact NE2-CB 3.27Å; H129-S167 WeakPolarHBondContact NE2-CB 3.39Å; H129-S167 PolarHBondContact NE2-OG 3.1Å; H129-K168 PolarHBondContact CE1-O 3.01Å; H129-F169 HydrophobicContact CB-CD2 4Å; H129-F169 HydrophobicContact CB-CE2 4.31Å; H129-I179 VanDerWaalsContact CD2-CD1 3.5Å; H129-I179 WeakPolarHBondContact CD2-CD1 3.1Å
130M84.1Confident84Confident0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-76.9-10.5-174.3-65.5-71.5-77.600113.6V112 V114 L126 D128 E132 A133 V136 V149 Y151 A160 L164 I179 V181V112-M130 HydrophobicContact CG2-CE 3.57Å; V114-M130 HydrophobicContact CG2-CE 3.85Å; V114-M130 HydrophobicContact CG2-SD 4.45Å; L126-M130 HydrophobicContact CD1-CG 3.57Å; L126-M130 HydrophobicContact CD1-SD 4.43Å; L126-M130 HydrophobicContact CG-CG 4.16Å; L126-M130 WeakPolarHBondContact O-CB 3.27Å; L126-M130 WeakPolarHBondContact O-CG 3.48Å; L126-M130 PolarHBondContact O-N 3.3Å; D128-M130 PolarHBondContact O-N 3.39Å; M130-E132 PolarHBondContact O-N 3.45Å; M130-A133 PolarHBondContact O-N 3.26Å; M130-V136 HydrophobicContact CB-CG2 3.9Å; M130-V149 HydrophobicContact CB-CG1 4.12Å; M130-V149 HydrophobicContact CE-CB 4.16Å; M130-V149 HydrophobicContact CE-CG1 4.2Å; M130-V149 HydrophobicContact CE-CG2 4.1Å; M130-V149 HydrophobicContact CG-CG1 4.45Å; M130-V149 HydrophobicContact CG-CG2 4.16Å; M130-Y151 WeakPolarHBondContact CB-OH 3.47Å; M130-Y151 HydrophobicContact CE-CE2 4.14Å; M130-Y151 WeakPolarHBondContact CE-OH 2.96Å; M130-Y151 PolarHBondContact O-OH 3.25Å; M130-A160 HydrophobicContact CE-CB 4.34Å; M130-L164 HydrophobicContact SD-CB 4.29Å; M130-L164 HydrophobicContact SD-CD1 3.61Å; M130-I179 HydrophobicContact SD-CD1 4.17Å; M130-V181 HydrophobicContact CE-CG1 3.99Å; M130-V181 HydrophobicContact CE-CG2 4.17Å; M130-V181 HydrophobicContact SD-CG2 4.25Å
131R86Confident84.3Confident143 Ų14354 Ų5454%0.5427%0.267SS..G310 helixtrans-69.7-18.6171.795.5179.758.2126.6-8.9113.3K127 D128 H129 A133 G134K127-R131 PolarHBondContact O-N 3.34Å; D128-R131 VanDerWaalsContact CA-NH2 3.34Å; D128-R131 VanDerWaalsContact O-CG 3.28Å; D128-R131 WeakPolarHBondContact O-CG 3.32Å; D128-R131 PolarHBondContact O-N 2.73Å; D128-R131 IonicContact OD1-CZ 3.79Å; D128-R131 IonicContact OD1-NH1 3.3Å; D128-R131 PolarHBondContact OD1-NH1 2.93Å; D128-R131 IonicContact OD1-NH2 3.34Å; D128-R131 PolarHBondContact OD1-NH2 3.03Å; D128-R131 IonicContact OD2-CZ 3.3Å; D128-R131 IonicContact OD2-NH1 2.67Å; D128-R131 PolarHBondContact OD2-NH1 2.95Å; H129-R131 VanDerWaalsContact C-N 3.26Å; H129-R131 PolarHBondContact O-N 2.91Å; R131-A133 PolarHBondContact O-N 3Å; R131-G134 WeakPolarHBondContact CA-O 3.49Å; R131-G134 PolarHBondContact O-N 3.36Å; R131-G134 VanDerWaalsContact O-N 3.17Å
132E84.4Confident84.8Confident118 Ų11857.6 Ų57.655%0.55128%0.28SS*.G310 helixtrans-59.7-25.7175.2-174.5177.9159.700111.8H129 M130 L164H129-E132 WeakPolarHBondContact O-CB 3.43Å; H129-E132 PolarHBondContact O-N 3.43Å; M130-E132 PolarHBondContact O-N 3.45Å; E132-L164 HydrophobicContact CB-CD2 4.27Å; E132-L164 HydrophobicContact CG-CD2 4.5Å
133A81.1Confident84.5Confident11 Ų1164.5 Ų64.59%0.09132%0.315CS..G310 helixtrans-92.3-18.7176.800000115.4M130 R131 Y151 D156 Y159 A160 L164M130-A133 PolarHBondContact O-N 3.26Å; R131-A133 PolarHBondContact O-N 3Å; A133-Y151 HydrophobicContact CB-CE1 4.24Å; A133-D156 WeakPolarHBondContact O-CA 3.18Å; A133-Y159 HydrophobicContact CB-CD1 3.7Å; A133-Y159 HydrophobicContact CB-CE1 4.46Å; A133-A160 HydrophobicContact CB-CB 3.55Å; A133-L164 HydrophobicContact CB-CD1 3.61Å; A133-L164 HydrophobicContact CB-CG 4.3Å
134G84.2Confident84.2Confident18 Ų1864.4 Ų64.419%0.18632%0.323CS..SBendtrans147.2-163.8-178.400000114.5R131 V136R131-G134 WeakPolarHBondContact CA-O 3.49Å; R131-G134 PolarHBondContact O-N 3.36Å; R131-G134 VanDerWaalsContact O-N 3.17Å; G134-V136 PolarHBondContact O-N 3.03Å; G134-V136 VanDerWaalsContact O-N 3.14Å
135D82.8Confident83.8Confident109 Ų10959.5 Ų59.558%0.58330%0.304SS*.  trans-82.299.3-167.3-78.4-43.2000112.3C137 L152 D156D135-C137 PolarHBondContact O-N 3.31Å; D135-L152 HydrophobicContact CB-CB 4.23Å; D135-L152 PolarHBondContact O-N 2.93Å; D135-D156 PolarHBondContact N-OD2 3.5Å
136V84.7Confident83.8Confident13 Ų1359.5 Ų59.58%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-75110.2176.5177.10000111.2K127 M130 G134 Y138 A139 V149 Y151K127-V136 HydrophobicContact CD-CG1 4.28Å; K127-V136 WeakPolarHBondContact CE-O 3.41Å; K127-V136 HydrophobicContact CG-CB 4.14Å; K127-V136 HydrophobicContact CG-CG1 3.91Å; K127-V136 PolarHBondContact NZ-O 3.19Å; K127-V136 VanDerWaalsContact NZ-O 3.12Å; M130-V136 HydrophobicContact CB-CG2 3.9Å; G134-V136 PolarHBondContact O-N 3.03Å; G134-V136 VanDerWaalsContact O-N 3.14Å; V136-Y138 VanDerWaalsContact CG1-O 3.24Å; V136-Y138 WeakPolarHBondContact CG1-O 3.36Å; V136-A139 HydrophobicContact CG1-CB 4Å; V136-V149 HydrophobicContact CB-CG1 4.33Å; V136-V149 HydrophobicContact CG1-CG1 3.56Å; V136-V149 HydrophobicContact CG2-CG1 3.83Å; V136-Y151 HydrophobicContact CG2-CD1 4.1Å; V136-Y151 HydrophobicContact CG2-CE1 3.57Å
137C83.3Confident83.8Confident48 Ų4859.5 Ų59.532%0.32431%0.305SS..EExtended strand (participates in β ladder)trans-85.6-32.7178.265.30000112.9D135 E150D135-C137 PolarHBondContact O-N 3.31Å; C137-E150 PolarHBondContact N-O 2.87Å; C137-E150 VanDerWaalsContact SG-C 3.57Å; C137-E150 PolarHBondContact SG-O 2.92Å
138Y80.5Confident83.9Confident91 Ų9156.1 Ų56.136%0.35729%0.291SS..EExtended strand (participates in β ladder)trans-134.3139.7174.9-172.4-97.4000110.1V136 D140 V148 V149 E150V136-Y138 VanDerWaalsContact CG1-O 3.24Å; V136-Y138 WeakPolarHBondContact CG1-O 3.36Å; Y138-D140 HydrophobicContact CD1-CB 4.35Å; Y138-D140 HydrophobicContact CE1-CB 3.45Å; Y138-D140 VanDerWaalsContact CE1-CB 3.45Å; Y138-D140 PolarHBondContact OH-OD2 3.43Å; Y138-V148 HydrophobicContact CE1-CG2 4.05Å; Y138-V149 CarbonylContact O-C 3.44Å; Y138-V149 WeakPolarHBondContact O-CA 3.46Å; Y138-E150 HydrophobicContact CD1-CG 4.16Å; Y138-E150 HydrophobicContact CG-CG 4.4Å; Y138-E150 PolarHBondContact N-O 2.84Å; Y138-E150 PolarHBondContact O-N 3.17Å
139A87Confident84Confident13 Ų1352 Ų5211%0.10727%0.269CS..EExtended strand (participates in β ladder)trans-145.6136.5169.600000108.2K127 V136 V148K127-A139 HydrophobicContact CB-CB 3.84Å; K127-A139 HydrophobicContact CD-CB 4.45Å; K127-A139 HydrophobicContact CG-CB 4.32Å; V136-A139 HydrophobicContact CG1-CB 4Å; A139-V148 CarbonylContact C-O 3.49Å; A139-V148 WeakPolarHBondContact CA-O 3.16Å
140D84.9Confident84.1Confident47 Ų4750.7 Ų50.725%0.25126%0.263SS..EExtended strand (participates in β ladder)trans-149.4147.2-177.9-163.63.8000108.8Y138 G147 V148Y138-D140 HydrophobicContact CD1-CB 4.35Å; Y138-D140 HydrophobicContact CE1-CB 3.45Å; Y138-D140 VanDerWaalsContact CE1-CB 3.45Å; Y138-D140 PolarHBondContact OH-OD2 3.43Å; D140-G147 CarbonylContact O-C 3.57Å; D140-G147 WeakPolarHBondContact O-CA 3.48Å; D140-V148 HydrophobicContact CB-CG2 3.78Å; D140-V148 PolarHBondContact N-O 2.95Å; D140-V148 PolarHBondContact O-N 2.92Å
141V85.8Confident84.1Confident27 Ų2750.7 Ų50.716%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-133.8132.2-176175.70000109L117 G121 W123 L126L117-V141 HydrophobicContact CD1-CB 4.47Å; L117-V141 HydrophobicContact CD1-CG1 3.87Å; L117-V141 HydrophobicContact CD1-CG2 3.83Å; G121-V141 WeakPolarHBondContact O-CG1 3.24Å; W123-V141 HydrophobicContact CB-CB 4.25Å; W123-V141 HydrophobicContact CB-CG2 3.9Å; L126-V141 HydrophobicContact CB-CG2 3.97Å; L126-V141 HydrophobicContact CD2-CG2 3.51Å; L126-V141 HydrophobicContact CG-CG2 4.39Å
142F84.4Confident83.9Confident87 Ų8748.2 Ų48.238%0.38226%0.26SS..EExtended strand (participates in β ladder)trans-103.2145.6-179.6-55.8-73.8000109.7D144 G145 T146 V148F142-D144 VanDerWaalsContact CB-OD1 3.22Å; F142-D144 WeakPolarHBondContact CB-OD1 3.5Å; F142-D144 PolarHBondContact O-N 3.04Å; F142-G145 PolarHBondContact O-N 2.98Å; F142-G145 VanDerWaalsContact O-N 3.15Å; F142-T146 WeakPolarHBondContact CD2-OG1 3.13Å; F142-T146 PolarHBondContact N-O 3.09Å; F142-V148 HydrophobicContact CE2-CB 4.44Å; F142-V148 HydrophobicContact CE2-CG1 3.88Å; F142-V148 HydrophobicContact CE2-CG2 3.79Å; F142-V148 HydrophobicContact CZ-CG2 4.09Å
143N77.3Confident83.8Confident170 Ų17049.8 Ų49.891%0.90926%0.261SS*.THydrogen-bonded Turntrans-67.42.3-176.9-61.621.1000114.2G145N143-G145 VanDerWaalsContact C-N 3.34Å
144D80.3Confident83.9Confident117 Ų11753 Ų5363%0.62627%0.274SS*.THydrogen-bonded Turntrans-90.55.4173.369.1-13.4000113.1F142 T146F142-D144 VanDerWaalsContact CB-OD1 3.22Å; F142-D144 WeakPolarHBondContact CB-OD1 3.5Å; F142-D144 PolarHBondContact O-N 3.04Å; D144-T146 VanDerWaalsContact C-N 3.3Å; D144-T146 VanDerWaalsContact OD1-CB 3.32Å; D144-T146 WeakPolarHBondContact OD1-CB 3.24Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.4Å; D144-T146 PolarHBondContact OD1-N 3.42Å; D144-T146 PolarHBondContact OD1-OG1 3.17Å; D144-T146 PolarHBondContact OD2-OG1 2.8Å
145G78.5Confident84Confident13 Ų1357.7 Ų57.713%0.13429%0.294CS..THydrogen-bonded Turntrans78.914.5-176.100000113.4G116 L117 F142 N143G116-G145 PolarHBondContact N-O 3.21Å; L117-G145 PolarHBondContact N-O 2.9Å; L117-G145 WeakPolarHBondContact O-CA 3.35Å; F142-G145 PolarHBondContact O-N 2.98Å; F142-G145 VanDerWaalsContact O-N 3.15Å; N143-G145 VanDerWaalsContact C-N 3.34Å
146T85.6Confident84.2Confident31 Ų3153.5 Ų53.519%0.1927%0.272CS..EExtended strand (participates in β ladder)trans-103.1155.3168.375.90000111.1V114 T115 F142 D144V114-T146 CarbonylContact O-C 3.53Å; V114-T146 VanDerWaalsContact O-CA 3.31Å; V114-T146 WeakPolarHBondContact O-CA 3.23Å; T115-T146 HydrophobicContact CG2-CG2 4.02Å; F142-T146 WeakPolarHBondContact CD2-OG1 3.13Å; F142-T146 PolarHBondContact N-O 3.09Å; D144-T146 VanDerWaalsContact C-N 3.3Å; D144-T146 VanDerWaalsContact OD1-CB 3.32Å; D144-T146 WeakPolarHBondContact OD1-CB 3.24Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.4Å; D144-T146 PolarHBondContact OD1-N 3.42Å; D144-T146 PolarHBondContact OD1-OG1 3.17Å; D144-T146 PolarHBondContact OD2-OG1 2.8Å
147G86.9Confident84.3Confident0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-147.9162175.800000109.9V114 D140V114-G147 PolarHBondContact N-O 2.82Å; V114-G147 PolarHBondContact O-N 3.02Å; D140-G147 CarbonylContact O-C 3.57Å; D140-G147 WeakPolarHBondContact O-CA 3.48Å
148V88.6Confident84.4Confident4 Ų456 Ų562%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-133.4137-178.4-68.30000109.1V112 L113 Y138 A139 D140 F142V112-V148 WeakPolarHBondContact O-CA 3.47Å; L113-V148 HydrophobicContact CG-CG1 4.05Å; Y138-V148 HydrophobicContact CE1-CG2 4.05Å; A139-V148 CarbonylContact C-O 3.49Å; A139-V148 WeakPolarHBondContact CA-O 3.16Å; D140-V148 HydrophobicContact CB-CG2 3.78Å; D140-V148 PolarHBondContact N-O 2.95Å; D140-V148 PolarHBondContact O-N 2.92Å; F142-V148 HydrophobicContact CE2-CB 4.44Å; F142-V148 HydrophobicContact CE2-CG1 3.88Å; F142-V148 HydrophobicContact CE2-CG2 3.79Å; F142-V148 HydrophobicContact CZ-CG2 4.09Å
149V88.2Confident84.7Confident0 Ų057.2 Ų57.20%028%0.282CS..EExtended strand (participates in β ladder)trans-134.9126.9-173.8-175.40000107.7R111 V112 V114 L126 M130 V136 Y138 Y151R111-V149 CarbonylContact C-O 3.47Å; R111-V149 WeakPolarHBondContact CA-O 3.04Å; V112-V149 HydrophobicContact CG2-CB 3.76Å; V112-V149 HydrophobicContact CG2-CG1 4.48Å; V112-V149 PolarHBondContact N-O 2.7Å; V112-V149 PolarHBondContact O-N 2.69Å; V114-V149 HydrophobicContact CG2-CG2 3.88Å; L126-V149 HydrophobicContact CD1-CG2 4.29Å; L126-V149 HydrophobicContact CD2-CG2 3.62Å; L126-V149 HydrophobicContact CG-CG2 3.84Å; M130-V149 HydrophobicContact CB-CG1 4.12Å; M130-V149 HydrophobicContact CE-CB 4.16Å; M130-V149 HydrophobicContact CE-CG1 4.2Å; M130-V149 HydrophobicContact CE-CG2 4.1Å; M130-V149 HydrophobicContact CG-CG1 4.45Å; M130-V149 HydrophobicContact CG-CG2 4.16Å; V136-V149 HydrophobicContact CB-CG1 4.33Å; V136-V149 HydrophobicContact CG1-CG1 3.56Å; V136-V149 HydrophobicContact CG2-CG1 3.83Å; Y138-V149 CarbonylContact O-C 3.44Å; Y138-V149 WeakPolarHBondContact O-CA 3.46Å; V149-Y151 HydrophobicContact CG1-CE2 4.08Å
150E87.1Confident84.7Confident4 Ų456.6 Ų56.62%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-109130.5174.1-49.9-177.7154.400108.3H107 Y110 R111 C137 Y138H107-E150 WeakPolarHBondContact CA-OE2 3.42Å; H107-E150 IonicContact CE1-OE2 2.73Å; H107-E150 IonicContact CG-OE2 3.95Å; H107-E150 IonicContact ND1-OE1 3.26Å; H107-E150 PolarHBondContact ND1-OE1 2.79Å; H107-E150 IonicContact ND1-OE2 2.93Å; H107-E150 PolarHBondContact ND1-OE2 3.09Å; Y110-E150 WeakPolarHBondContact O-CA 3.45Å; R111-E150 HydrophobicContact CB-CG 4.06Å; R111-E150 HydrophobicContact CG-CG 3.97Å; C137-E150 PolarHBondContact N-O 2.87Å; C137-E150 VanDerWaalsContact SG-C 3.57Å; C137-E150 PolarHBondContact SG-O 2.92Å; Y138-E150 HydrophobicContact CD1-CG 4.16Å; Y138-E150 HydrophobicContact CG-CG 4.4Å; Y138-E150 PolarHBondContact N-O 2.84Å; Y138-E150 PolarHBondContact O-N 3.17Å
151Y85.5Confident84.7Confident0 Ų055.9 Ų55.90%027%0.273CS..EExtended strand (participates in β ladder)trans-97.8152.9177.6-76.8-80.7000111.4T108 Y110 V112 M130 A133 V136 V149 R153 D156 M157 A160T108-Y151 WeakPolarHBondContact CB-O 3.47Å; T108-Y151 PolarHBondContact OG1-O 3.37Å; Y110-Y151 PolarHBondContact O-N 2.86Å; V112-Y151 HydrophobicContact CG2-CD2 4.49Å; V112-Y151 HydrophobicContact CG2-CE2 3.95Å; M130-Y151 WeakPolarHBondContact CB-OH 3.47Å; M130-Y151 HydrophobicContact CE-CE2 4.14Å; M130-Y151 WeakPolarHBondContact CE-OH 2.96Å; M130-Y151 PolarHBondContact O-OH 3.25Å; A133-Y151 HydrophobicContact CB-CE1 4.24Å; V136-Y151 HydrophobicContact CG2-CD1 4.1Å; V136-Y151 HydrophobicContact CG2-CE1 3.57Å; V149-Y151 HydrophobicContact CG1-CE2 4.08Å; Y151-R153 VanDerWaalsContact C-N 3.3Å; Y151-R153 WeakPolarHBondContact CB-O 3.1Å; Y151-R153 PolarHBondContact O-N 3.37Å; Y151-D156 HydrophobicContact CD1-CB 3.62Å; Y151-D156 HydrophobicContact CE1-CB 4.25Å; Y151-D156 HydrophobicContact CG-CB 4.08Å; Y151-M157 HydrophobicContact CD2-CB 3.97Å; Y151-M157 HydrophobicContact CD2-CG 4.3Å; Y151-M157 HydrophobicContact CG-CB 4.34Å; Y151-A160 HydrophobicContact CE2-CB 3.6Å; Y151-A160 VanDerWaalsContact OH-CB 3.24Å; Y151-A160 WeakPolarHBondContact OH-CB 3.27Å
152L81.5Confident84.7Confident91 Ų9163.9 Ų63.948%0.47631%0.305SS..SBendtrans-68.9-30.7173.9-170.663.4000112.2D135D135-L152 HydrophobicContact CB-CB 4.23Å; D135-L152 PolarHBondContact O-N 2.93Å
153R81.6Confident84.6Confident152 Ų15265.4 Ų65.457%0.57431%0.311SS*.SBendtrans-126.6154.8-175.3-69.1177.5166.8161.8-3.4113Y151 D156 M157Y151-R153 VanDerWaalsContact C-N 3.3Å; Y151-R153 WeakPolarHBondContact CB-O 3.1Å; Y151-R153 PolarHBondContact O-N 3.37Å; R153-D156 HydrophobicContact CB-CB 4.38Å; R153-M157 PolarHBondContact O-N 2.93Å
154E83.8Confident84.7Confident79 Ų7957.3 Ų57.337%0.36927%0.268SS..Hα-helixtrans-69.8-35174.3-160.5-177.7155.500112.2Y110 M157 K158Y110-E154 HydrophobicContact CD1-CB 3.76Å; Y110-E154 HydrophobicContact CD1-CG 3.86Å; Y110-E154 HydrophobicContact CE1-CB 3.48Å; Y110-E154 VanDerWaalsContact CE1-CB 3.48Å; Y110-E154 HydrophobicContact CE1-CG 3.71Å; Y110-E154 HydrophobicContact CG-CB 4.42Å; E154-M157 HydrophobicContact CG-CE 4.32Å; E154-M157 WeakPolarHBondContact O-CB 3.39Å; E154-M157 PolarHBondContact O-N 3.05Å; E154-K158 HydrophobicContact CG-CD 4.38Å; E154-K158 WeakPolarHBondContact O-CB 3.47Å; E154-K158 WeakPolarHBondContact O-CG 3.31Å; E154-K158 PolarHBondContact O-N 3.37Å; E154-K158 WeakPolarHBondContact OE1-CE 3.42Å; E154-K158 IonicContact OE1-NZ 2.6Å; E154-K158 PolarHBondContact OE1-NZ 3.49Å
155D85.9Confident84.8Confident115 Ų11554.9 Ų54.962%0.61526%0.255SS*.Hα-helixtrans-64.2-46.9179.3-57.4-71.6000111.5M157 K158 Y159D155-M157 VanDerWaalsContact C-N 3.32Å; D155-M157 PolarHBondContact O-N 2.79Å; D155-K158 PolarHBondContact O-N 3.28Å; D155-Y159 WeakPolarHBondContact O-CB 3.3Å; D155-Y159 PolarHBondContact O-N 3.29Å
156D87.4Confident84.9Confident22 Ų2258.2 Ų58.212%0.11827%0.27CS..Hα-helixtrans-57.9-44.6175-55.59.7000110.9A133 D135 Y151 R153 Y159 A160A133-D156 WeakPolarHBondContact O-CA 3.18Å; D135-D156 PolarHBondContact N-OD2 3.5Å; Y151-D156 HydrophobicContact CD1-CB 3.62Å; Y151-D156 HydrophobicContact CE1-CB 4.25Å; Y151-D156 HydrophobicContact CG-CB 4.08Å; R153-D156 HydrophobicContact CB-CB 4.38Å; D156-Y159 PolarHBondContact O-N 3.45Å; D156-A160 WeakPolarHBondContact O-CB 3.07Å; D156-A160 PolarHBondContact O-N 3.31Å
157M85.6Confident84.9Confident14 Ų1458 Ų587%0.06927%0.27CS..Hα-helixtrans-60.5-50175.8-173.5-156.67400111.6Y110 V112 Y151 R153 E154 D155 Y159 A160 L161Y110-M157 VanDerWaalsContact CA-SD 3.55Å; Y110-M157 HydrophobicContact CD1-SD 4.39Å; V112-M157 HydrophobicContact CG1-CG 3.55Å; Y151-M157 HydrophobicContact CD2-CB 3.97Å; Y151-M157 HydrophobicContact CD2-CG 4.3Å; Y151-M157 HydrophobicContact CG-CB 4.34Å; R153-M157 PolarHBondContact O-N 2.93Å; E154-M157 HydrophobicContact CG-CE 4.32Å; E154-M157 WeakPolarHBondContact O-CB 3.39Å; E154-M157 PolarHBondContact O-N 3.05Å; D155-M157 VanDerWaalsContact C-N 3.32Å; D155-M157 PolarHBondContact O-N 2.79Å; M157-Y159 VanDerWaalsContact C-N 3.31Å; M157-Y159 PolarHBondContact O-N 3.16Å; M157-A160 WeakPolarHBondContact O-CB 3.36Å; M157-A160 PolarHBondContact O-N 3.33Å; M157-L161 HydrophobicContact CE-CD1 4.02Å; M157-L161 HydrophobicContact CG-CD1 4.08Å; M157-L161 VanDerWaalsContact O-CD1 3.26Å; M157-L161 WeakPolarHBondContact O-CD1 3.27Å; M157-L161 VanDerWaalsContact O-CG 3.29Å; M157-L161 WeakPolarHBondContact O-CG 3.06Å; M157-L161 PolarHBondContact O-N 3.19Å
158K86.4Confident84.8Confident100 Ų10064.1 Ų64.144%0.43530%0.296SS..Hα-helixtrans-62.5-37.6177.2-75.7173.6-178.41660112.2E154 D155 K162E154-K158 HydrophobicContact CG-CD 4.38Å; E154-K158 WeakPolarHBondContact O-CB 3.47Å; E154-K158 WeakPolarHBondContact O-CG 3.31Å; E154-K158 PolarHBondContact O-N 3.37Å; E154-K158 WeakPolarHBondContact OE1-CE 3.42Å; E154-K158 IonicContact OE1-NZ 2.6Å; E154-K158 PolarHBondContact OE1-NZ 3.49Å; D155-K158 PolarHBondContact O-N 3.28Å; K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 PolarHBondContact O-N 3.4Å; K158-K162 VanDerWaalsContact O-N 3.08Å
159Y86Confident84.5Confident116 Ų11664 Ų6446%0.45530%0.295SS..Hα-helixtrans-65.7-44.9174.8-170.5-85.1000110.9A133 D155 D156 M157 L161 K162 K163A133-Y159 HydrophobicContact CB-CD1 3.7Å; A133-Y159 HydrophobicContact CB-CE1 4.46Å; D155-Y159 WeakPolarHBondContact O-CB 3.3Å; D155-Y159 PolarHBondContact O-N 3.29Å; D156-Y159 PolarHBondContact O-N 3.45Å; M157-Y159 VanDerWaalsContact C-N 3.31Å; M157-Y159 PolarHBondContact O-N 3.16Å; Y159-L161 VanDerWaalsContact C-N 3.34Å; Y159-L161 PolarHBondContact O-N 2.86Å; Y159-K162 PolarHBondContact O-N 2.9Å; Y159-K163 HydrophobicContact CD1-CB 4.01Å; Y159-K163 HydrophobicContact CD1-CG 4.45Å; Y159-K163 HydrophobicContact CE1-CB 3.75Å; Y159-K163 HydrophobicContact CE1-CG 3.71Å; Y159-K163 WeakPolarHBondContact O-CB 3.49Å; Y159-K163 PolarHBondContact O-N 2.83Å
160A86.7Confident84.2Confident0 Ų072.5 Ų72.50%033%0.328CS..Hα-helixtrans-56.6-46.2175.200000112.1M130 A133 Y151 D156 M157 K162 K163 L164 N165M130-A160 HydrophobicContact CE-CB 4.34Å; A133-A160 HydrophobicContact CB-CB 3.55Å; Y151-A160 HydrophobicContact CE2-CB 3.6Å; Y151-A160 VanDerWaalsContact OH-CB 3.24Å; Y151-A160 WeakPolarHBondContact OH-CB 3.27Å; D156-A160 WeakPolarHBondContact O-CB 3.07Å; D156-A160 PolarHBondContact O-N 3.31Å; M157-A160 WeakPolarHBondContact O-CB 3.36Å; M157-A160 PolarHBondContact O-N 3.33Å; A160-K162 VanDerWaalsContact C-N 3.33Å; A160-K162 PolarHBondContact O-N 3.4Å; A160-K163 PolarHBondContact O-N 3.45Å; A160-L164 HydrophobicContact CB-CD1 4.15Å; A160-L164 VanDerWaalsContact O-CA 3.31Å; A160-L164 WeakPolarHBondContact O-CA 3.47Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 2.84Å; A160-N165 PolarHBondContact O-N 3.34Å
161L86Confident83.8Confident32 Ų3272.5 Ų72.517%0.16833%0.328CS..Hα-helixtrans-63.2-38.8178.3-68.9154.5000112.7V112 M157 Y159 N165 V181 R182 E183V112-L161 HydrophobicContact CG1-CD1 4.15Å; V112-L161 HydrophobicContact CG1-CD2 3.97Å; V112-L161 HydrophobicContact CG1-CG 3.95Å; M157-L161 HydrophobicContact CE-CD1 4.02Å; M157-L161 HydrophobicContact CG-CD1 4.08Å; M157-L161 VanDerWaalsContact O-CD1 3.26Å; M157-L161 WeakPolarHBondContact O-CD1 3.27Å; M157-L161 VanDerWaalsContact O-CG 3.29Å; M157-L161 WeakPolarHBondContact O-CG 3.06Å; M157-L161 PolarHBondContact O-N 3.19Å; Y159-L161 VanDerWaalsContact C-N 3.34Å; Y159-L161 PolarHBondContact O-N 2.86Å; L161-N165 VanDerWaalsContact O-CB 3.3Å; L161-N165 WeakPolarHBondContact O-CB 3.39Å; L161-V181 HydrophobicContact CD2-CG1 3.93Å; L161-V181 HydrophobicContact CG-CG1 4.43Å; L161-R182 VanDerWaalsContact CD2-C 3.44Å; L161-E183 HydrophobicContact CD1-CG 3.21Å; L161-E183 HydrophobicContact CD2-CG 3.74Å; L161-E183 HydrophobicContact CG-CG 4.09Å
162K84.9Confident83.5Confident195 Ų19578.3 Ų78.385%0.84836%0.355SS*.Hα-helixtrans-79.8-30.2-178.6-170.4175.2-178.31800113.5K158 Y159 A160K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 PolarHBondContact O-N 3.4Å; K158-K162 VanDerWaalsContact O-N 3.08Å; Y159-K162 PolarHBondContact O-N 2.9Å; A160-K162 VanDerWaalsContact C-N 3.33Å; A160-K162 PolarHBondContact O-N 3.4Å
163K83.1Confident83.2Confident118 Ų11880.3 Ų80.351%0.51336%0.362SS..Hα-helixtrans-113.3-35-168.9-175.760.7179.9176.50114.2Y159 A160Y159-K163 HydrophobicContact CD1-CB 4.01Å; Y159-K163 HydrophobicContact CD1-CG 4.45Å; Y159-K163 HydrophobicContact CE1-CB 3.75Å; Y159-K163 HydrophobicContact CE1-CG 3.71Å; Y159-K163 WeakPolarHBondContact O-CB 3.49Å; Y159-K163 PolarHBondContact O-N 2.83Å; A160-K163 PolarHBondContact O-N 3.45Å
164L78.5Confident83Confident1 Ų175.5 Ų75.51%0.00536%0.359CS..THydrogen-bonded Turntrans-96.9-7.4-177.6-57.9179.1000113.6M130 E132 A133 A160 D166 S167 V181M130-L164 HydrophobicContact SD-CB 4.29Å; M130-L164 HydrophobicContact SD-CD1 3.61Å; E132-L164 HydrophobicContact CB-CD2 4.27Å; E132-L164 HydrophobicContact CG-CD2 4.5Å; A133-L164 HydrophobicContact CB-CD1 3.61Å; A133-L164 HydrophobicContact CB-CG 4.3Å; A160-L164 HydrophobicContact CB-CD1 4.15Å; A160-L164 VanDerWaalsContact O-CA 3.31Å; A160-L164 WeakPolarHBondContact O-CA 3.47Å; A160-L164 VanDerWaalsContact O-CB 3.26Å; A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 2.84Å; L164-D166 PolarHBondContact O-N 2.82Å; L164-S167 WeakPolarHBondContact O-CB 3.32Å; L164-S167 PolarHBondContact O-N 2.67Å; L164-S167 VanDerWaalsContact O-N 3.11Å; L164-V181 HydrophobicContact CB-CG2 4.2Å
165N83.2Confident82.8Confident65 Ų6575.7 Ų75.735%0.34836%0.36SS..THydrogen-bonded Turntrans-65.1129.6167-177.765.8000110.8A160 L161 S167 R180 V181A160-N165 PolarHBondContact O-N 3.34Å; L161-N165 VanDerWaalsContact O-CB 3.3Å; L161-N165 WeakPolarHBondContact O-CB 3.39Å; N165-S167 PolarHBondContact O-N 2.75Å; N165-R180 WeakPolarHBondContact OD1-CA 3.47Å; N165-V181 HydrophobicContact CB-CB 4.43Å; N165-V181 PolarHBondContact OD1-N 2.94Å; N165-V181 VanDerWaalsContact OD1-N 3.12Å
166D81.2Confident82.7Confident83 Ų8373.3 Ų73.344%0.44435%0.349SS..THydrogen-bonded Turntrans60.626.5-169.6-59.8-67.9000114.1L164 I179 R180L164-D166 PolarHBondContact O-N 2.82Å; D166-I179 WeakPolarHBondContact CA-O 3.33Å; D166-I179 PolarHBondContact N-O 2.73Å; D166-R180 IonicContact OD1-NE 3.6Å
167S85.7Confident82.6Confident26 Ų2673.9 Ų73.918%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-75.8154.1173.8-1700000113H129 L164 N165 F169 Y178 I179H129-S167 PolarHBondContact CE1-OG 3.11Å; H129-S167 VanDerWaalsContact NE2-CB 3.27Å; H129-S167 WeakPolarHBondContact NE2-CB 3.39Å; H129-S167 PolarHBondContact NE2-OG 3.1Å; L164-S167 WeakPolarHBondContact O-CB 3.32Å; L164-S167 PolarHBondContact O-N 2.67Å; L164-S167 VanDerWaalsContact O-N 3.11Å; N165-S167 PolarHBondContact O-N 2.75Å; S167-F169 PolarHBondContact O-N 3.13Å; S167-Y178 WeakPolarHBondContact O-CA 3.35Å; S167-I179 PolarHBondContact N-O 3.29Å; S167-I179 WeakPolarHBondContact O-CG1 3.36Å; S167-I179 PolarHBondContact O-N 3.38Å
168K83.3Confident82.6Confident129 Ų12980.5 Ų80.556%0.56138%0.381SS*.EExtended strand (participates in β ladder)trans-87.194.8-175-172.6173.7-178.4172.40110.5H129 V176 Y178H129-K168 PolarHBondContact CE1-O 3.01Å; K168-V176 HydrophobicContact CD-CG1 3.96Å; K168-V176 HydrophobicContact CG-CG1 3.39Å; K168-Y178 HydrophobicContact CB-CE1 4.24Å; K168-Y178 HydrophobicContact CG-CE1 4.49Å
169F82.2Confident82.7Confident1 Ų175.8 Ų75.80%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-79.2139.7177.1-179.8-97.5000111.8L117 P118 D125 L126 H129 S167 V176 S177 I179L117-F169 HydrophobicContact CD2-CD1 4.01Å; L117-F169 HydrophobicContact CD2-CD2 4.15Å; L117-F169 HydrophobicContact CD2-CE1 3.95Å; L117-F169 HydrophobicContact CD2-CE2 4.12Å; L117-F169 HydrophobicContact CD2-CG 4.08Å; L117-F169 HydrophobicContact CD2-CZ 3.98Å; P118-F169 VanDerWaalsContact CD-CE1 3.49Å; P118-F169 HydrophobicContact CG-CD1 3.71Å; P118-F169 HydrophobicContact CG-CE1 3.56Å; D125-F169 VanDerWaalsContact C-CE2 3.5Å; D125-F169 HydrophobicContact CB-CE1 4.49Å; D125-F169 HydrophobicContact CB-CE2 3.88Å; D125-F169 HydrophobicContact CB-CZ 3.49Å; D125-F169 VanDerWaalsContact CB-CZ 3.49Å; L126-F169 HydrophobicContact CB-CE2 4.28Å; H129-F169 HydrophobicContact CB-CD2 4Å; H129-F169 HydrophobicContact CB-CE2 4.31Å; S167-F169 PolarHBondContact O-N 3.13Å; F169-V176 VanDerWaalsContact O-CA 3.28Å; F169-V176 WeakPolarHBondContact O-CA 3.34Å; F169-V176 WeakPolarHBondContact O-CG1 3.27Å; F169-S177 WeakPolarHBondContact CB-O 3.16Å; F169-S177 PolarHBondContact N-O 3.17Å; F169-S177 PolarHBondContact O-N 2.74Å; F169-I179 HydrophobicContact CB-CB 4.44Å; F169-I179 HydrophobicContact CB-CG1 4.24Å; F169-I179 HydrophobicContact CB-CG2 3.5Å; F169-I179 HydrophobicContact CD2-CG2 4.42Å; F169-I179 HydrophobicContact CG-CG2 3.93Å
170R82.7Confident82.6Confident180 Ų18077.6 Ų77.668%0.67937%0.366SS*.EExtended strand (participates in β ladder)trans-126124177.7-177.4-169.9-60.5173.53.6109.6E175 V176R170-E175 CarbonylContact C-O 3.59Å; R170-E175 WeakPolarHBondContact CA-O 3.49Å; R170-V176 HydrophobicContact CB-CG2 4.23Å; R170-V176 HydrophobicContact CG-CG2 4.04Å
171S79.4Confident82.7Confident4 Ų478 Ų783%0.02837%0.368CS..  trans-72.2156.9168.2-63.30000111.7P118 T120 G121 E173 G174 E175P118-S171 WeakPolarHBondContact CG-OG 3.4Å; T120-S171 WeakPolarHBondContact OG1-CB 3.48Å; T120-S171 PolarHBondContact OG1-OG 3.08Å; G121-S171 WeakPolarHBondContact CA-OG 3.37Å; G121-S171 PolarHBondContact N-OG 2.86Å; S171-E173 PolarHBondContact O-N 3.37Å; S171-G174 PolarHBondContact O-N 3.43Å; S171-E175 PolarHBondContact N-O 3.11Å
172H79Confident82.6Confident122 Ų12284.5 Ų84.557%0.56539%0.391SS*.THydrogen-bonded Turntrans-54.7-32.8164.763.1-77.9000113.8T120 D125 G174T120-H172 PolarHBondContact O-CE1 2.92Å; D125-H172 IonicContact OD2-CE1 3.97Å; D125-H172 IonicContact OD2-CG 2.79Å; D125-H172 PolarHBondContact OD2-N 3.28Å; D125-H172 VanDerWaalsContact OD2-N 3.16Å; D125-H172 IonicContact OD2-ND1 3.88Å; D125-H172 PolarHBondContact OD2-ND1 2.74Å; H172-G174 PolarHBondContact O-N 2.89Å; H172-G174 VanDerWaalsContact O-N 3.16Å
173E74.1Confident82.4Confident133 Ų13380.7 Ų80.762%0.62138%0.376SS*.THydrogen-bonded Turntrans-67.5-3171.8-73.1-70.8127.400114.1T120 S171 E175T120-E173 HydrophobicContact CG2-CB 4.19Å; T120-E173 HydrophobicContact CG2-CG 3.98Å; S171-E173 PolarHBondContact O-N 3.37Å; E173-E175 VanDerWaalsContact C-N 3.26Å; E173-E175 PolarHBondContact O-N 3.05Å
174G77.2Confident81.7Confident50 Ų5076.5 Ų76.552%0.51536%0.359SS..SBendtrans82-4.1-179.100000114.9S171 H172S171-G174 PolarHBondContact O-N 3.43Å; H172-G174 PolarHBondContact O-N 2.89Å; H172-G174 VanDerWaalsContact O-N 3.16Å
175E80Confident80.5Confident83 Ų8381.7 Ų81.739%0.38839%0.387SS..  trans-59.3142.4168.5-65.1-167.114500110.9P118 T120 R170 S171 E173P118-E175 HydrophobicContact CB-CB 4.21Å; P118-E175 WeakPolarHBondContact CB-OE2 3.46Å; T120-E175 WeakPolarHBondContact CB-OE2 3.47Å; T120-E175 HydrophobicContact CG2-CG 4.49Å; T120-E175 WeakPolarHBondContact CG2-OE2 3.28Å; T120-E175 PolarHBondContact OG1-OE2 2.88Å; R170-E175 CarbonylContact C-O 3.59Å; R170-E175 WeakPolarHBondContact CA-O 3.49Å; S171-E175 PolarHBondContact N-O 3.11Å; E173-E175 VanDerWaalsContact C-N 3.26Å; E173-E175 PolarHBondContact O-N 3.05Å
176V84.8Confident79Confident65 Ų6581.4 Ų81.439%0.39440%0.399SS..EExtended strand (participates in β ladder)trans-130.7125.9-179.5178.20000110.5K168 F169 R170K168-V176 HydrophobicContact CD-CG1 3.96Å; K168-V176 HydrophobicContact CG-CG1 3.39Å; F169-V176 VanDerWaalsContact O-CA 3.28Å; F169-V176 WeakPolarHBondContact O-CA 3.34Å; F169-V176 WeakPolarHBondContact O-CG1 3.27Å; R170-V176 HydrophobicContact CB-CG2 4.23Å; R170-V176 HydrophobicContact CG-CG2 4.04Å
177S84.5Confident77.1Confident34 Ų3482 Ų8224%0.23841%0.41CS..EExtended strand (participates in β ladder)trans-133.4160.7179.3-54.60000110.8G116 F169G116-S177 WeakPolarHBondContact O-CB 3.47Å; F169-S177 WeakPolarHBondContact CB-O 3.16Å; F169-S177 PolarHBondContact N-O 3.17Å; F169-S177 PolarHBondContact O-N 2.74Å
178Y86.1Confident75Confident154 Ų15484.5 Ų84.560%0.60443%0.427SS*.EExtended strand (participates in β ladder)trans-94.4120.9172.7-67.3-81.3000109.3S167 K168S167-Y178 WeakPolarHBondContact O-CA 3.35Å; K168-Y178 HydrophobicContact CB-CE1 4.24Å; K168-Y178 HydrophobicContact CG-CE1 4.49Å
179I87.4Confident73.2Confident0 Ų085.6 Ų85.60%043%0.428CS..EExtended strand (participates in β ladder)trans-91.2141.5178.955.9160.5000111.4V114 T115 L117 H129 M130 D166 S167 F169 V181V114-I179 HydrophobicContact CG1-CB 3.78Å; V114-I179 HydrophobicContact CG1-CD1 4.04Å; V114-I179 HydrophobicContact CG1-CG2 3.96Å; T115-I179 WeakPolarHBondContact O-CA 3.3Å; L117-I179 HydrophobicContact CD2-CG2 3.47Å; L117-I179 VanDerWaalsContact CD2-CG2 3.47Å; L117-I179 HydrophobicContact CG-CG2 4.16Å; H129-I179 VanDerWaalsContact CD2-CD1 3.5Å; H129-I179 WeakPolarHBondContact CD2-CD1 3.1Å; M130-I179 HydrophobicContact SD-CD1 4.17Å; D166-I179 WeakPolarHBondContact CA-O 3.33Å; D166-I179 PolarHBondContact N-O 2.73Å; S167-I179 PolarHBondContact N-O 3.29Å; S167-I179 WeakPolarHBondContact O-CG1 3.36Å; S167-I179 PolarHBondContact O-N 3.38Å; F169-I179 HydrophobicContact CB-CB 4.44Å; F169-I179 HydrophobicContact CB-CG1 4.24Å; F169-I179 HydrophobicContact CB-CG2 3.5Å; F169-I179 HydrophobicContact CD2-CG2 4.42Å; F169-I179 HydrophobicContact CG-CG2 3.93Å; I179-V181 HydrophobicContact CD1-CG2 4.23Å
180R85.7Confident71Confident155 Ų15589.7 Ų89.759%0.58546%0.462SS*.EExtended strand (participates in β ladder)trans-110.1123.1173.1-69.3174.6176.7165.81.7109.4V114 T115 N165 D166V114-R180 CarbonylContact C-O 3.54Å; V114-R180 WeakPolarHBondContact CA-O 3.45Å; T115-R180 PolarHBondContact N-O 3.14Å; T115-R180 PolarHBondContact O-N 2.87Å; T115-R180 PolarHBondContact OG1-O 2.91Å; N165-R180 WeakPolarHBondContact OD1-CA 3.47Å; D166-R180 IonicContact OD1-NE 3.6Å
181V87.9Confident68.8Low7 Ų792 Ų924%0.04247%0.47CS..EExtended strand (participates in β ladder)trans-105.1122.2-176-172.40000108.1V112 V114 M130 L161 L164 N165 I179V112-V181 HydrophobicContact CB-CG1 3.69Å; V112-V181 HydrophobicContact CG1-CG1 4.1Å; V112-V181 HydrophobicContact CG2-CG1 3.74Å; V114-V181 HydrophobicContact CG2-CG2 4.4Å; M130-V181 HydrophobicContact CE-CG1 3.99Å; M130-V181 HydrophobicContact CE-CG2 4.17Å; M130-V181 HydrophobicContact SD-CG2 4.25Å; L161-V181 HydrophobicContact CD2-CG1 3.93Å; L161-V181 HydrophobicContact CG-CG1 4.43Å; L164-V181 HydrophobicContact CB-CG2 4.2Å; N165-V181 HydrophobicContact CB-CB 4.43Å; N165-V181 PolarHBondContact OD1-N 2.94Å; N165-V181 VanDerWaalsContact OD1-N 3.12Å; I179-V181 HydrophobicContact CD1-CG2 4.23Å
182R84.2Confident66.7Low170 Ų17096.8 Ų96.864%0.64250%0.504SS*.EExtended strand (participates in β ladder)trans-121.9150.1-179.4-60.9-17563.7175.3-1.9110.3V112 L113 L161 D184V112-R182 CarbonylContact C-O 3.5Å; V112-R182 VanDerWaalsContact CA-O 3.22Å; V112-R182 WeakPolarHBondContact CA-O 2.88Å; V112-R182 WeakPolarHBondContact CB-O 3.4Å; L113-R182 PolarHBondContact N-O 2.99Å; L113-R182 PolarHBondContact O-N 2.79Å; L161-R182 VanDerWaalsContact CD2-C 3.44Å; R182-D184 PolarHBondContact O-N 2.81Å
183E81.1Confident64.6Low115 Ų115102.6 Ų102.654%0.53752%0.521SS..EExtended strand (participates in β ladder)trans-66.4132.1167.7-75.5171.2131.800109.4L161 D185L161-E183 HydrophobicContact CD1-CG 3.21Å; L161-E183 HydrophobicContact CD2-CG 3.74Å; L161-E183 HydrophobicContact CG-CG 4.09Å; E183-D185 PolarHBondContact O-N 2.79Å; E183-D185 VanDerWaalsContact O-N 3.11Å
184D67.6Low63Low30 Ų30101 Ų10116%0.1653%0.525CS..  trans-79.482.2162.5-174.167.9000106.8R111 R182 G186R111-D184 HydrophobicContact CB-CB 4.05Å; R111-D184 WeakPolarHBondContact CD-OD2 3.46Å; R111-D184 HydrophobicContact CG-CB 3.88Å; R111-D184 IonicContact CZ-OD2 2.68Å; R111-D184 IonicContact NE-OD2 3.06Å; R111-D184 IonicContact NH1-OD1 3.67Å; R111-D184 PolarHBondContact NH1-OD1 3.11Å; R111-D184 IonicContact NH1-OD2 2.7Å; R111-D184 PolarHBondContact NH1-OD2 3.39Å; R111-D184 WeakPolarHBondContact O-CB 3.37Å; R111-D184 PolarHBondContact O-N 2.79Å; R182-D184 PolarHBondContact O-N 2.81Å; D184-G186 PolarHBondContact O-N 3.29Å; D184-G186 VanDerWaalsContact O-N 3.07Å
185D54.1Low61.2Low110 Ų110110.2 Ų110.259%0.58854%0.544SS*.  trans-57.7118.917273.9-87.7000108.1E183 S187E183-D185 PolarHBondContact O-N 2.79Å; E183-D185 VanDerWaalsContact O-N 3.11Å; D185-S187 PolarHBondContact O-N 3.17Å; D185-S187 WeakPolarHBondContact OD2-CB 3.45Å
186G51.4Low59.5Low58 Ų58111.1 Ų111.160%0.59856%0.559SS**G310 helixtrans-64.98.1-16700000115.8D184 S188 R189D184-G186 PolarHBondContact O-N 3.29Å; D184-G186 VanDerWaalsContact O-N 3.07Å; G186-S188 PolarHBondContact O-N 3.19Å; G186-S188 VanDerWaalsContact O-N 3.15Å; G186-R189 PolarHBondContact O-N 3.1Å
187S41.5Very low57.7Low96 Ų96113.6 Ų113.667%0.67158%0.576SS**G310 helixtrans-56.4-24.7-176.2-167.30000114.2D185D185-S187 PolarHBondContact O-N 3.17Å; D185-S187 WeakPolarHBondContact OD2-CB 3.45Å
188S41.3Very low55.7Low79 Ų79119.6 Ų119.655%0.55261%0.605SS**G310 helixtrans-92.4-11.9-177.571.50000115.9G186 A190 R191G186-S188 PolarHBondContact O-N 3.19Å; G186-S188 VanDerWaalsContact O-N 3.15Å; S188-A190 PolarHBondContact O-N 3.28Å; S188-A190 VanDerWaalsContact O-N 3.1Å; S188-R191 PolarHBondContact O-N 2.86Å
189R44.6Very low53.6Low152 Ų152123.9 Ų123.957%0.57462%0.62SS**G310 helixtrans-71.7-0.5177.1-91.7175176.2161.2-1.1114.1G186 R191G186-R189 PolarHBondContact O-N 3.1Å; R189-R191 VanDerWaalsContact C-N 3.31Å
190A36.3Very low51.4Low86 Ų86129.7 Ų129.771%0.71166%0.656SS**G310 helixtrans-80.60.4168.200000114.5S188 S192S188-A190 PolarHBondContact O-N 3.28Å; S188-A190 VanDerWaalsContact O-N 3.1Å; A190-S192 PolarHBondContact O-N 3.43Å
191R36.1Very low49.2Very low229 Ų229128.7 Ų128.786%0.86467%0.666SS**SBendtrans-74.876.6174.9-123.6179.2-171.21472.4112S188 R189 R193S188-R191 PolarHBondContact O-N 2.86Å; R189-R191 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.84Å
192S35.2Very low47Very low104 Ų104138.5 Ų138.573%0.72770%0.703SS**  trans26.967.5150-56.70000116.2A190 S194A190-S192 PolarHBondContact O-N 3.43Å; S192-S194 PolarHBondContact O-N 3.14Å
193R36.7Very low44.8Very low244 Ų244137.6 Ų137.692%0.92171%0.711SS**  trans-6593.1147-84-171.2176.3169.41.1105.8R191 R195R191-R193 PolarHBondContact O-N 2.84Å; R193-R195 PolarHBondContact O-N 2.83Å
194S39Very low42.8Very low101 Ų101137.2 Ų137.271%0.70672%0.721SS**  trans-36.7111.7-175.2-54.40000109.2S192 S196S192-S194 PolarHBondContact O-N 3.14Å; S194-S196 PolarHBondContact O-N 3.3Å
195R39.8Very low41.5Very low243 Ų243140.6 Ų140.692%0.91774%0.744SS**  trans-57.2102.1163.6-84.7-173.3174.7-173.50.5104.2R193 P197R193-R195 PolarHBondContact O-N 2.83Å; R195-P197 VanDerWaalsContact O-N 3.1Å
196S44.1Very low40.6Very low102 Ų102141.6 Ų141.671%0.71376%0.755SS**  trans-44.4124.5174.3-56.20000105.8S194 L198S194-S196 PolarHBondContact O-N 3.3Å; S196-L198 PolarHBondContact O-N 2.85Å
197P46.2Very low39.7Very low116 Ų116149.1 Ų149.175%0.75377%0.766SS**  trans-47.3126-175.2-28.233.8000107.2R195 R199R195-P197 VanDerWaalsContact O-N 3.1Å; P197-R199 PolarHBondContact O-N 2.66Å
198L42.6Very low39.4Very low161 Ų161149.4 Ų149.484%0.84377%0.769SS**  trans-44.5122.1173.7-76.1169.3000104.9S196 V200S196-L198 PolarHBondContact O-N 2.85Å; L198-V200 PolarHBondContact O-N 2.74Å
199R42Very low39.3Very low243 Ų243149.8 Ų149.892%0.91777%0.769SS**  trans-61.693.6170.1-77.8-170.2-178.6-165.11.7104.1P197 V201P197-R199 PolarHBondContact O-N 2.66Å; R199-V201 VanDerWaalsContact C-N 3.34Å; R199-V201 PolarHBondContact O-N 3.4Å
200V42.1Very low39Very low123 Ų123153.3 Ų153.375%0.74578%0.782SS**  trans-46.7112.6160.4-1780000102.2L198 R202L198-V200 PolarHBondContact O-N 2.74Å; V200-R202 PolarHBondContact O-N 3.31Å
201V39.6Very low38.9Very low134 Ų134155.3 Ų155.381%0.81279%0.791SS**  trans-55.9106.7170.7171.50000102.8R199 D203R199-V201 VanDerWaalsContact C-N 3.34Å; R199-V201 PolarHBondContact O-N 3.4Å; V201-D203 VanDerWaalsContact C-N 3.31Å; V201-D203 PolarHBondContact O-N 3.46Å
202R41Very low39.1Very low213 Ų213148.2 Ų148.280%0.80478%0.782SS**  trans-67.9102.8-170.3-144.2-179.7-171179.91.4103.8V200 S204V200-R202 PolarHBondContact O-N 3.31Å; R202-S204 PolarHBondContact O-N 3.36Å
203D37.7Very low39.2Very low151 Ų151154.4 Ų154.481%0.80779%0.789SS**  trans-47.4115.3177.3-159.5-76.4000106.8V201 P205V201-D203 VanDerWaalsContact C-N 3.31Å; V201-D203 PolarHBondContact O-N 3.46Å; D203-P205 WeakPolarHBondContact O-CD 3.34Å; D203-P205 WeakPolarHBondContact O-CG 3.16Å
204S40.1Very low39.4Very low107 Ų107147.6 Ų147.675%0.74878%0.779SS**  trans-61.7108.2-156.4-67.80000110.3R202 T206R202-S204 PolarHBondContact O-N 3.36Å; S204-T206 PolarHBondContact O-N 2.76Å; S204-T206 VanDerWaalsContact O-N 3.13Å
205P39.5Very low39.6Very low101 Ų101148 Ų14866%0.65678%0.781SS**  trans-74.1116.6-178.4-10.227.3000108.6D203D203-P205 WeakPolarHBondContact O-CD 3.34Å; D203-P205 WeakPolarHBondContact O-CG 3.16Å
206T34.8Very low39.5Very low131 Ų131141.4 Ų141.480%0.80477%0.773SS**  trans72.783.7150.8-39.50000117S204S204-T206 PolarHBondContact O-N 2.76Å; S204-T206 VanDerWaalsContact O-N 3.13Å
207Y33.4Very low39.5Very low215 Ų215142.7 Ų142.784%0.84378%0.776SS**  trans-139.984.2137-166.4-94.9000111.7
208S35.7Very low39.2Very low103 Ų103142.8 Ų142.872%0.7278%0.779SS**  trans-81.6144.8153-60.80000107.4
209P39Very low39.1Very low87 Ų87140 Ų14057%0.56577%0.773SS**  cis-144.8-163.941.534.6-11.1000115
210R38.7Very low38.5Very low226 Ų226133.3 Ų133.385%0.85376%0.762SS**  trans88.959.3167-51.3170.7-175.1-97.4-1116.7
211S34.2Very low38.2Very low127 Ų127133.7 Ų133.789%0.88877%0.765SS**  trans-72.2120137.2-174.50000108
212A39Very low37.8Very low81 Ų81132.3 Ų132.367%0.66976%0.761SS**  trans-130.8139.7173.100000108.1
213R38.1Very low37.7Very low234 Ų234126.9 Ų126.988%0.88376%0.755SS**  trans75140.9-173.8-61.3172.2158-159.2-7115.7
214S39.8Very low37.7Very low101 Ų101130.9 Ų130.971%0.70676%0.759SS**  cis179.7113.1-27.241.30000109.9
215S43.2Very low37.8Very low108 Ų108129.4 Ų129.476%0.75575%0.748SS**  trans172.6107.816135.50000107.6
216S38.7Very low37.8Very low106 Ų106132.7 Ų132.774%0.74176%0.755SS**  60.7120.293.268.90000112.7
217V44.1Very low38.2Very low129 Ų129131.3 Ų131.378%0.78275%0.751SS**  cis-161.6165.516.4-99.90000109.9
218S39.2Very low38.3Very low118 Ų118127 Ų12783%0.82575%0.751SS**  trans72.5139.9163.9-52.30000116.2
219S40.6Very low38.9Very low101 Ų101126.8 Ų126.871%0.70675%0.749SS**  cis-157.51445.949.30000112.9
220C29.9Very low38.9Very low103 Ų103134.1 Ų134.170%0.69677%0.765SS**  trans43.1128.8148.665.90000123.5
221T35.5Very low39.6Very low132 Ų132128.4 Ų128.481%0.8176%0.76SS**  trans65.3144.1137.751.60000120
222C31.8Very low40.1Very low105 Ų105125.9 Ų125.971%0.70975%0.754SS**  cis-163.2146.83.142.50000113.8
223S38.4Very low40.8Very low98 Ų98127.2 Ų127.269%0.68576%0.758SS**  trans63.1142.8137.3700000124.6
224R38.2Very low41.4Very low235 Ų235127.3 Ų127.389%0.88776%0.759SS**  trans74.9140.8153.4-73.1167.5166.8-178-6119.3
225S41.4Very low42.1Very low76 Ų76127.3 Ų127.353%0.53176%0.759SS.*  cis-170.6166.1-26.338.20000110.6
226H39.8Very low42.3Very low170 Ų170133 Ų13379%0.78776%0.763SS**  trans78.1148.7165.6-45.1-48.2000118.3
227S43Very low42.6Very low103 Ų103132.7 Ų132.772%0.7276%0.762SS**  cis167.2104.7-50500000109.5
228C35.7Very low42.6Very low125 Ų125137.9 Ų137.985%0.84577%0.767SS**  trans179.6144.4155.553.70000108.5
229S47.9Very low43Very low97 Ų97141.1 Ų141.168%0.67879%0.79SS**  cis178.7133.8-21.845.20000105.5
230R40.5Very low43.2Very low241 Ų241143.1 Ų143.191%0.90979%0.794SS**  trans64.8147.7144.9-71.7177.3160.8-166.3-6.4118.9
231S53.1Low43.9Very low107 Ų107145.2 Ų145.275%0.74880%0.799SS**  cis-175144.5-1043.40000111.5
232G44.6Very low44.3Very low73 Ų73145.9 Ų145.975%0.75380%0.798SS**  trans76.6151.3156.800000116.3
233S54.3Low45.1Very low109 Ų109148.4 Ų148.476%0.76280%0.804SS**  cis-154.6139.1-5.2-78.60000107.3
234R48.9Very low45.5Very low237 Ų237151.5 Ų151.589%0.89481%0.811SS**  33.1137.8102.5-60.4178.7169.4-168.8-2.8113.9
235S54.9Low46Very low101 Ų101145.9 Ų145.971%0.70681%0.806SS**  cis-173.2-175.5-5.556.20000106.7
236R47Very low46.3Very low226 Ų226150.9 Ų150.985%0.85383%0.826SS**  cis-159161.114.6-148.7166.7-168.4170.12.2110.3
237S45.3Very low46.8Very low101 Ų101149.5 Ų149.571%0.70683%0.828SS**  trans-65.1155.3165.837.30000115.4
238R43.9Very low47.1Very low237 Ų237153.3 Ų153.389%0.89484%0.838SS**  trans159.9143.1150-94.2165.9-179.7-155.6-4.1109.4
239S49.2Very low48.1Very low186 Ų186155.9 Ų155.9100%1.30184%0.837SS**  cis-139.60-0.9-66.90000109.9

Retrieved 239 of 239 residues in 41.6 ms (Link to these results)

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