A0A3Q0KDE8_SCHMA Loading...

Signal peptidase complex subunit 2

Component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Enhances the enzymatic activity of SPC and facilitates the interactions between different components of the translocation site.

AlphaFold DB , UniProt , Accession A0A3Q0KDE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 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
1M37.3Very low52.9Low239 Ų239120.5 Ų120.5100%1.17766%0.661SS**  0910-159.895.7162.500106.5C3M1-C3 PolarHBondContact O-N 2.99Å
2S34.9Very low54.8Low121 Ų121120.7 Ų120.785%0.84666%0.66SS**  trans-72.595.9-176-52.60000108.3E4S2-E4 VanDerWaalsContact C-N 3.31Å; S2-E4 PolarHBondContact O-N 2.84Å
3C43.2Very low56.1Low116 Ų116119.8 Ų119.878%0.78465%0.646SS**  trans-70.594.1169.1-158.20000105.8M1 T5M1-C3 PolarHBondContact O-N 2.99Å; C3-T5 VanDerWaalsContact C-N 3.33Å; C3-T5 PolarHBondContact O-N 2.98Å
4E44.9Very low57.4Low180 Ų180128.9 Ų128.984%0.84167%0.667SS**  trans-58.6103.4165.9-79.5-174117.100106.8S2 P6S2-E4 VanDerWaalsContact C-N 3.31Å; S2-E4 PolarHBondContact O-N 2.84Å; E4-P6 WeakPolarHBondContact O-CD 3.29Å
5T50.4Low59.1Low109 Ų109125.1 Ų125.167%0.66965%0.648SS**  trans-61119.2169.136.60000106.8C3 K7C3-T5 VanDerWaalsContact C-N 3.33Å; C3-T5 PolarHBondContact O-N 2.98Å; T5-K7 PolarHBondContact O-N 3.03Å
6P52.9Low60.6Low73 Ų73119.6 Ų119.647%0.47462%0.622SS.*  trans-57.9127.8179.722.8-30.9000107.8E4 E8E4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-E8 PolarHBondContact O-N 3.33Å
7K53.2Low62Low201 Ų201114.5 Ų114.587%0.87461%0.605SS**  trans-39109.2-178.2-74.3175.3177.7171.70109.8T5 V9T5-K7 PolarHBondContact O-N 3.03Å; K7-V9 PolarHBondContact O-N 3.37Å
8E57.6Low63.3Low100 Ų100109.7 Ų109.747%0.46759%0.585SS.*  trans-64.4125.6-177.1-68.1180172.500108.3P6 T10 E165P6-E8 PolarHBondContact O-N 3.33Å; E8-T10 PolarHBondContact O-N 3.45Å; E8-E165 HydrophobicContact CB-CB 4.33Å; E8-E165 HydrophobicContact CB-CG 4.3Å
9V63Low64.5Low75 Ų75104.8 Ų104.846%0.45556%0.558SS.*  trans-70.899.4177.6-176.40000106.7K7 V11 A22K7-V9 PolarHBondContact O-N 3.37Å; V9-V11 HydrophobicContact CG1-CG2 3.8Å; V9-V11 PolarHBondContact O-N 3.38Å; V9-A22 HydrophobicContact CG1-CB 4.17Å
10T70.3Confident65.7Low100 Ų100102.2 Ų102.261%0.61354%0.542SS*.BIsolated β-bridgetrans-74.9109.8172.153.70000108.3E8 E165E8-T10 PolarHBondContact O-N 3.45Å; T10-E165 HydrophobicContact CG2-CG 3.85Å
11V73.9Confident66.6Low12 Ų12102.2 Ų102.27%0.07354%0.541CS..  trans-103.6141.4179.4-177.80000110V9 K13 A18 L19 A22 F160 G164V9-V11 HydrophobicContact CG1-CG2 3.8Å; V9-V11 PolarHBondContact O-N 3.38Å; V11-K13 PolarHBondContact O-N 3.48Å; V11-K13 VanDerWaalsContact O-N 3.14Å; V11-A18 VanDerWaalsContact CG1-C 3.49Å; V11-A18 HydrophobicContact CG1-CB 3.5Å; V11-A18 VanDerWaalsContact CG1-CB 3.5Å; V11-L19 HydrophobicContact CB-CD2 4.05Å; V11-L19 HydrophobicContact CG1-CB 4.48Å; V11-L19 HydrophobicContact CG1-CD2 3.67Å; V11-L19 HydrophobicContact CG1-CG 3.9Å; V11-A22 HydrophobicContact CG2-CB 3.49Å; V11-A22 VanDerWaalsContact CG2-CB 3.49Å; V11-F160 HydrophobicContact CB-CE1 4.02Å; V11-F160 HydrophobicContact CG2-CE1 3.92Å; V11-G164 PolarHBondContact N-O 3.39Å
12N75.7Confident69Low122 Ų12291.1 Ų91.165%0.65249%0.488SS*.  trans-63.2116170.2-76-36.6000109.9W14 D15N12-W14 PolarHBondContact O-N 2.87Å; N12-D15 HydrophobicContact CB-CB 4.03Å; N12-D15 PolarHBondContact O-N 3.47Å
13K71.9Confident71.6Confident110 Ų11085.4 Ų85.448%0.47845%0.448SS..THydrogen-bonded Turntrans-56.6-20.9-176.9-70.4174.4-91.1167.10115.2V11 I162V11-K13 PolarHBondContact O-N 3.48Å; V11-K13 VanDerWaalsContact O-N 3.14Å; K13-I162 WeakPolarHBondContact CE-O 3.45Å; K13-I162 PolarHBondContact NZ-O 2.98Å
14W74.4Confident73.7Confident246 Ų24680.5 Ų80.593%0.93241%0.414SS*.THydrogen-bonded Turntrans-96.6-7.1-179.3-55.8103.1000113.3N12N12-W14 PolarHBondContact O-N 2.87Å
15D83.2Confident75.7Confident73 Ų7376.6 Ų76.639%0.3940%0.398SS..  trans-97.693.3-180-171.4-16.8000109.4N12 G17 A18 L19N12-D15 HydrophobicContact CB-CB 4.03Å; N12-D15 PolarHBondContact O-N 3.47Å; D15-G17 PolarHBondContact O-N 3.08Å; D15-G17 WeakPolarHBondContact OD1-CA 3.16Å; D15-G17 PolarHBondContact OD1-N 2.78Å; D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 PolarHBondContact O-N 2.9Å; D15-A18 PolarHBondContact OD1-N 3.07Å; D15-L19 WeakPolarHBondContact O-CG 3.5Å; D15-L19 PolarHBondContact O-N 3.35Å
16T83.4Confident77.5Confident36 Ų3671.8 Ų71.822%0.22137%0.37CS..Hα-helixtrans-57.4-35.6175.951.10000111.4L19 K20 M126 K128T16-L19 PolarHBondContact O-N 3.14Å; T16-K20 PolarHBondContact O-N 3.2Å; T16-M126 VanDerWaalsContact C-CE 3.46Å; T16-M126 VanDerWaalsContact CA-CE 3.49Å; T16-M126 HydrophobicContact CG2-CE 4.17Å; T16-M126 WeakPolarHBondContact O-CE 3.34Å; T16-K128 PolarHBondContact OG1-O 2.99Å
17G84.5Confident79.1Confident33 Ų3368.3 Ų68.334%0.3435%0.347SS..Hα-helixtrans-61.7-49.9176.500000111.8D15 L19 K20 I21D15-G17 PolarHBondContact O-N 3.08Å; D15-G17 WeakPolarHBondContact OD1-CA 3.16Å; D15-G17 PolarHBondContact OD1-N 2.78Å; G17-L19 PolarHBondContact O-N 3.13Å; G17-K20 PolarHBondContact O-N 3.2Å; G17-I21 WeakPolarHBondContact O-CD1 3.49Å; G17-I21 VanDerWaalsContact O-CG1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.42Å; G17-I21 PolarHBondContact O-N 3.25Å
18A85.4Confident80.6Confident29 Ų2961.8 Ų61.824%0.2432%0.319CS..Hα-helixtrans-66.6-35.6179.900000112.7V11 D15 I21 A22V11-A18 VanDerWaalsContact CG1-C 3.49Å; V11-A18 HydrophobicContact CG1-CB 3.5Å; V11-A18 VanDerWaalsContact CG1-CB 3.5Å; D15-A18 HydrophobicContact CB-CB 3.89Å; D15-A18 PolarHBondContact O-N 2.9Å; D15-A18 PolarHBondContact OD1-N 3.07Å; A18-I21 PolarHBondContact O-N 2.86Å; A18-A22 WeakPolarHBondContact O-CB 2.92Å; A18-A22 PolarHBondContact O-N 2.99Å
19L86.4Confident81.8Confident16 Ų1661 Ų618%0.08432%0.315CS..Hα-helixtrans-63.2-45.9175.1-70.2171.1000111.2V11 D15 T16 G17 I21 A22 L23 M126 F160V11-L19 HydrophobicContact CB-CD2 4.05Å; V11-L19 HydrophobicContact CG1-CB 4.48Å; V11-L19 HydrophobicContact CG1-CD2 3.67Å; V11-L19 HydrophobicContact CG1-CG 3.9Å; D15-L19 WeakPolarHBondContact O-CG 3.5Å; D15-L19 PolarHBondContact O-N 3.35Å; T16-L19 PolarHBondContact O-N 3.14Å; G17-L19 PolarHBondContact O-N 3.13Å; L19-I21 PolarHBondContact O-N 3.46Å; L19-A22 PolarHBondContact O-N 3.43Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.91Å; L19-M126 HydrophobicContact CB-CE 3.96Å; L19-F160 HydrophobicContact CB-CE2 4.3Å; L19-F160 HydrophobicContact CB-CZ 4.39Å; L19-F160 HydrophobicContact CD2-CD1 3.8Å; L19-F160 HydrophobicContact CD2-CD2 3.58Å; L19-F160 HydrophobicContact CD2-CE1 3.61Å; L19-F160 HydrophobicContact CD2-CE2 3.41Å; L19-F160 VanDerWaalsContact CD2-CE2 3.41Å; L19-F160 HydrophobicContact CD2-CG 3.78Å; L19-F160 HydrophobicContact CD2-CZ 3.41Å; L19-F160 VanDerWaalsContact CD2-CZ 3.41Å; L19-F160 HydrophobicContact CG-CE2 4.41Å; L19-F160 HydrophobicContact CG-CZ 4.5Å
20K87.2Confident82.9Confident53 Ų5357.9 Ų57.923%0.2330%0.296CS..Hα-helixtrans-59-48.3176.2179.4-176.6-175.3-64.50111T16 G17 A22 L23 D24 S124 M126 Y133T16-K20 PolarHBondContact O-N 3.2Å; G17-K20 PolarHBondContact O-N 3.2Å; K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 3.04Å; K20-L23 PolarHBondContact O-N 3.18Å; K20-D24 WeakPolarHBondContact CG-OD2 3.43Å; K20-D24 IonicContact NZ-OD2 2.89Å; K20-D24 PolarHBondContact NZ-OD2 2.7Å; K20-D24 WeakPolarHBondContact O-CB 3.13Å; K20-D24 PolarHBondContact O-N 3.39Å; K20-S124 VanDerWaalsContact CE-O 3.29Å; K20-S124 WeakPolarHBondContact CE-O 3.3Å; K20-S124 PolarHBondContact NZ-OG 3.35Å; K20-M126 HydrophobicContact CB-CB 4.49Å; K20-M126 HydrophobicContact CB-CE 4.01Å; K20-M126 HydrophobicContact CD-CB 4.39Å; K20-Y133 HydrophobicContact CG-CE2 4.24Å
21I85.6Confident83.4Confident102 Ų10253.1 Ų53.152%0.52327%0.267SS..Hα-helixtrans-59.7-46.4-179.3-68164000110.6G17 A18 L19 L23 D24 D25G17-I21 WeakPolarHBondContact O-CD1 3.49Å; G17-I21 VanDerWaalsContact O-CG1 3.28Å; G17-I21 WeakPolarHBondContact O-CG1 3.42Å; G17-I21 PolarHBondContact O-N 3.25Å; A18-I21 PolarHBondContact O-N 2.86Å; L19-I21 PolarHBondContact O-N 3.46Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 PolarHBondContact O-N 2.9Å; I21-D24 PolarHBondContact O-N 3.44Å; I21-D25 WeakPolarHBondContact O-CB 3.42Å; I21-D25 PolarHBondContact O-N 3.38Å
22A87.9Confident83.6Confident7 Ų756.6 Ų56.66%0.05828%0.283CS..Hα-helixtrans-65.3-36.3179.600000113.3V9 V11 A18 L19 K20 A26 F160V9-A22 HydrophobicContact CG1-CB 4.17Å; V11-A22 HydrophobicContact CG2-CB 3.49Å; V11-A22 VanDerWaalsContact CG2-CB 3.49Å; A18-A22 WeakPolarHBondContact O-CB 2.92Å; A18-A22 PolarHBondContact O-N 2.99Å; L19-A22 PolarHBondContact O-N 3.43Å; K20-A22 VanDerWaalsContact C-N 3.34Å; K20-A22 PolarHBondContact O-N 3.04Å; A22-A26 WeakPolarHBondContact O-CB 3.38Å; A22-A26 PolarHBondContact O-N 2.89Å; A22-F160 HydrophobicContact CB-CZ 4.29Å
23L87.9Confident83.8Confident0 Ų058.9 Ų58.90%029%0.287CS..Hα-helixtrans-67.2-46.9173.9-71.3168.3000111.2L19 K20 I21 D25 A26 A27 Y133 A156 F159 F160 L166 Y171L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.91Å; K20-L23 PolarHBondContact O-N 3.18Å; I21-L23 VanDerWaalsContact C-N 3.35Å; I21-L23 PolarHBondContact O-N 2.9Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 3.07Å; L23-A26 PolarHBondContact O-N 2.89Å; L23-A27 WeakPolarHBondContact O-CB 3.37Å; L23-A27 PolarHBondContact O-N 3.29Å; L23-Y133 HydrophobicContact CB-CE2 4.03Å; L23-Y133 HydrophobicContact CD1-CD1 4.31Å; L23-Y133 HydrophobicContact CD1-CD2 3.76Å; L23-Y133 HydrophobicContact CD1-CE2 4.05Å; L23-Y133 HydrophobicContact CD1-CG 3.89Å; L23-A156 HydrophobicContact CD1-CB 4.12Å; L23-F159 HydrophobicContact CD2-CB 4.02Å; L23-F159 HydrophobicContact CD2-CD2 3.94Å; L23-F159 HydrophobicContact CD2-CG 4.2Å; L23-F160 HydrophobicContact CD1-CE2 4.12Å; L23-F160 HydrophobicContact CD2-CE2 3.96Å; L23-F160 HydrophobicContact CD2-CZ 4.36Å; L23-F160 HydrophobicContact CG-CE2 3.91Å; L23-F160 HydrophobicContact CG-CZ 4.17Å; L23-L166 HydrophobicContact CD2-CD1 3.63Å; L23-Y171 HydrophobicContact CD2-CD2 3.76Å; L23-Y171 HydrophobicContact CD2-CE1 4.34Å; L23-Y171 HydrophobicContact CD2-CE2 3.51Å; L23-Y171 HydrophobicContact CD2-CG 4.29Å; L23-Y171 WeakPolarHBondContact O-CE1 3.38Å; L23-Y171 PolarHBondContact O-OH 3.1Å
24D88.7Confident83.9Confident14 Ų1459.4 Ų59.48%0.07529%0.29CS..Hα-helixtrans-60.9-43.1178.9-67.8-13.5000111.4K20 I21 A27 K28 F103 S124 Y133K20-D24 WeakPolarHBondContact CG-OD2 3.43Å; K20-D24 IonicContact NZ-OD2 2.89Å; K20-D24 PolarHBondContact NZ-OD2 2.7Å; K20-D24 WeakPolarHBondContact O-CB 3.13Å; K20-D24 PolarHBondContact O-N 3.39Å; I21-D24 PolarHBondContact O-N 3.44Å; D24-A27 PolarHBondContact O-N 3.33Å; D24-K28 VanDerWaalsContact O-CB 3.27Å; D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 3.05Å; D24-F103 HydrophobicContact CB-CD2 3.92Å; D24-F103 HydrophobicContact CB-CE2 4.19Å; D24-F103 HydrophobicContact CB-CG 4.28Å; D24-S124 VanDerWaalsContact OD1-CB 3.23Å; D24-S124 WeakPolarHBondContact OD1-CB 3.42Å; D24-S124 PolarHBondContact OD1-OG 3.47Å; D24-S124 PolarHBondContact OD2-OG 3.43Å; D24-Y133 PolarHBondContact OD1-OH 3.43Å
25D86.4Confident83.4Confident97 Ų9749.8 Ų49.852%0.51926%0.255SS..Hα-helixtrans-64.8-42.5176.5-78.9-19.1000111.9I21 L23 K28 E29I21-D25 WeakPolarHBondContact O-CB 3.42Å; I21-D25 PolarHBondContact O-N 3.38Å; L23-D25 VanDerWaalsContact C-N 3.34Å; L23-D25 PolarHBondContact O-N 3.07Å; D25-K28 WeakPolarHBondContact O-CB 3.43Å; D25-K28 PolarHBondContact O-N 2.97Å; D25-E29 WeakPolarHBondContact O-CB 3.41Å; D25-E29 PolarHBondContact O-N 3.35Å
26A87.3Confident82.4Confident8 Ų848.9 Ų48.97%0.06626%0.263CS..Hα-helixtrans-65.9-39.2176.200000112A22 L23 E29 L30 L166 Y171A22-A26 WeakPolarHBondContact O-CB 3.38Å; A22-A26 PolarHBondContact O-N 2.89Å; L23-A26 PolarHBondContact O-N 2.89Å; A26-E29 PolarHBondContact O-N 2.82Å; A26-L30 PolarHBondContact O-N 2.81Å; A26-L166 HydrophobicContact CB-CD2 3.45Å; A26-L166 VanDerWaalsContact CB-CD2 3.45Å; A26-Y171 HydrophobicContact CB-CD1 3.94Å; A26-Y171 HydrophobicContact CB-CE1 3.94Å
27A86.6Confident81.5Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-63.7-46.4175.900000110.7L23 D24 E29 L30 F31 F103 Y171 L175L23-A27 WeakPolarHBondContact O-CB 3.37Å; L23-A27 PolarHBondContact O-N 3.29Å; D24-A27 PolarHBondContact O-N 3.33Å; A27-E29 PolarHBondContact O-N 3.35Å; A27-L30 PolarHBondContact O-N 3.32Å; A27-F31 HydrophobicContact CB-CD2 4.26Å; A27-F31 HydrophobicContact CB-CE2 4.07Å; A27-F31 WeakPolarHBondContact O-CB 3.14Å; A27-F31 WeakPolarHBondContact O-CD2 3.41Å; A27-F31 WeakPolarHBondContact O-CG 3.47Å; A27-F31 PolarHBondContact O-N 2.95Å; A27-F103 HydrophobicContact CB-CE2 4.25Å; A27-F103 HydrophobicContact CB-CZ 4.23Å; A27-Y171 HydrophobicContact CB-CE1 3.94Å; A27-L175 HydrophobicContact CB-CD1 3.82Å; A27-L175 HydrophobicContact CB-CD2 4.47Å
28K84.4Confident80.7Confident65 Ų6549.9 Ų49.928%0.28326%0.258SS..Hα-helixtrans-56.1-50.7175.4-174.6-179.5179.1-176.20111.2D24 D25 L30 F31 M32 E39 F104D24-K28 VanDerWaalsContact O-CB 3.27Å; D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 3.05Å; D25-K28 WeakPolarHBondContact O-CB 3.43Å; D25-K28 PolarHBondContact O-N 2.97Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.03Å; K28-F31 PolarHBondContact O-N 2.93Å; K28-M32 VanDerWaalsContact O-CG 3.28Å; K28-M32 WeakPolarHBondContact O-CG 3.43Å; K28-M32 PolarHBondContact O-N 3.49Å; K28-E39 WeakPolarHBondContact CE-OE1 3.47Å; K28-E39 WeakPolarHBondContact CE-OE2 3.45Å; K28-E39 WeakPolarHBondContact CG-OE1 3.3Å; K28-E39 IonicContact NZ-OE1 2.69Å; K28-E39 IonicContact NZ-OE2 3.02Å; K28-E39 PolarHBondContact NZ-OE2 2.82Å; K28-F104 HydrophobicContact CD-CD2 4.46Å; K28-F104 HydrophobicContact CG-CD2 3.96Å; K28-F104 HydrophobicContact CG-CE2 4.21Å
29E84.9Confident79.9Confident82 Ų8250.1 Ų50.138%0.38325%0.254SS..Hα-helixtrans-56.9-43.6177.8-167.9-173.3153.200111.7D25 A26 A27 K33 R168D25-E29 WeakPolarHBondContact O-CB 3.41Å; D25-E29 PolarHBondContact O-N 3.35Å; A26-E29 PolarHBondContact O-N 2.82Å; A27-E29 PolarHBondContact O-N 3.35Å; E29-K33 WeakPolarHBondContact O-CB 3.49Å; E29-K33 PolarHBondContact O-N 3.31Å; E29-R168 IonicContact OE1-NH1 3.97Å; E29-R168 PolarHBondContact OE1-NH1 2.97Å; E29-R168 VanDerWaalsContact OE1-NH1 3.1Å; E29-R168 IonicContact OE2-CZ 3.73Å; E29-R168 IonicContact OE2-NH1 3.1Å; E29-R168 PolarHBondContact OE2-NH1 3.35Å; E29-R168 IonicContact OE2-NH2 3.89Å; E29-R168 PolarHBondContact OE2-NH2 2.88Å
30L84.2Confident79.2Confident10 Ų1050.5 Ų50.55%0.05226%0.257CS..Hα-helixtrans-67.7-45.6178.5-179.5135.2000112.8A26 A27 K28 M32 K33 K34 D172 L175A26-L30 PolarHBondContact O-N 2.81Å; A27-L30 PolarHBondContact O-N 3.32Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.03Å; L30-M32 VanDerWaalsContact C-N 3.34Å; L30-M32 PolarHBondContact O-N 2.87Å; L30-K33 PolarHBondContact O-N 2.94Å; L30-K34 WeakPolarHBondContact O-CB 3.13Å; L30-K34 PolarHBondContact O-N 2.76Å; L30-D172 VanDerWaalsContact CD1-CA 3.48Å; L30-D172 HydrophobicContact CD1-CB 3.34Å; L30-D172 WeakPolarHBondContact CD1-OD1 3.29Å; L30-L175 HydrophobicContact CB-CD1 4.33Å; L30-L175 HydrophobicContact CD2-CB 3.94Å; L30-L175 HydrophobicContact CD2-CD1 3.98Å
31F81.9Confident78.7Confident0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-62-43.2178.8-74.8-56.2000111A27 K28 H35 L37 F104 W120 V122 L175 V179A27-F31 HydrophobicContact CB-CD2 4.26Å; A27-F31 HydrophobicContact CB-CE2 4.07Å; A27-F31 WeakPolarHBondContact O-CB 3.14Å; A27-F31 WeakPolarHBondContact O-CD2 3.41Å; A27-F31 WeakPolarHBondContact O-CG 3.47Å; A27-F31 PolarHBondContact O-N 2.95Å; K28-F31 PolarHBondContact O-N 2.93Å; F31-H35 WeakPolarHBondContact O-CB 3.22Å; F31-H35 PolarHBondContact O-N 2.88Å; F31-L37 HydrophobicContact CB-CD1 3.89Å; F31-L37 HydrophobicContact CD1-CD1 4.27Å; F31-L37 HydrophobicContact CG-CD1 4.46Å; F31-F104 HydrophobicContact CB-CE1 3.95Å; F31-W120 HydrophobicContact CD1-CE3 4.49Å; F31-W120 HydrophobicContact CD1-CZ3 4.29Å; F31-W120 HydrophobicContact CE1-CE3 4.48Å; F31-W120 HydrophobicContact CE1-CZ3 4.14Å; F31-V122 HydrophobicContact CD2-CG2 4.18Å; F31-V122 HydrophobicContact CE2-CG1 4.15Å; F31-V122 HydrophobicContact CE2-CG2 3.91Å; F31-V122 HydrophobicContact CZ-CG2 4.35Å; F31-L175 HydrophobicContact CE2-CD2 4.36Å; F31-L175 HydrophobicContact CZ-CD2 4.2Å; F31-V179 HydrophobicContact CE1-CG2 3.79Å
32M78.5Confident78.1Confident85 Ų8554.8 Ų54.842%0.41927%0.274SS..Hα-helixtrans-60.3-52.1173-68-175.193.400111.6K28 L30 G36 E39K28-M32 VanDerWaalsContact O-CG 3.28Å; K28-M32 WeakPolarHBondContact O-CG 3.43Å; K28-M32 PolarHBondContact O-N 3.49Å; L30-M32 VanDerWaalsContact C-N 3.34Å; L30-M32 PolarHBondContact O-N 2.87Å; M32-G36 WeakPolarHBondContact O-CA 3.46Å; M32-G36 PolarHBondContact O-N 3.44Å; M32-G36 VanDerWaalsContact O-N 3.14Å; M32-E39 VanDerWaalsContact CE-CD 3.43Å; M32-E39 HydrophobicContact CE-CG 3.49Å; M32-E39 VanDerWaalsContact CE-CG 3.49Å; M32-E39 WeakPolarHBondContact CE-OE1 3.49Å; M32-E39 HydrophobicContact CG-CG 4.27Å; M32-E39 VanDerWaalsContact CG-OE1 3.26Å; M32-E39 WeakPolarHBondContact CG-OE1 3.27Å; M32-E39 HydrophobicContact SD-CG 4.18Å
33K79.4Confident77.5Confident171 Ų17156.2 Ų56.274%0.74328%0.28SS*.Hα-helixtrans-70.1-41-171.2-173.1175.7-177.7176.10113.4E29 L30E29-K33 WeakPolarHBondContact O-CB 3.49Å; E29-K33 PolarHBondContact O-N 3.31Å; L30-K33 PolarHBondContact O-N 2.94Å
34K73.7Confident77.1Confident120 Ų12061.4 Ų61.452%0.52230%0.303SS..Hα-helixtrans-88.7-36-175-79.1-156.2171.4-158.50114.3L30 L176L30-K34 WeakPolarHBondContact O-CB 3.13Å; L30-K34 PolarHBondContact O-N 2.76Å; K34-L176 HydrophobicContact CD-CD1 4.31Å; K34-L176 HydrophobicContact CD-CD2 3.68Å; K34-L176 HydrophobicContact CD-CG 4.4Å
35H64Low76.9Confident45 Ų4564.1 Ų64.121%0.20832%0.317CS..Hα-helixtrans-103.6-5.6-174.4-70.7-72000113.7F31 L37 W120F31-H35 WeakPolarHBondContact O-CB 3.22Å; F31-H35 PolarHBondContact O-N 2.88Å; H35-L37 HydrophobicContact CB-CD1 3.47Å; H35-L37 VanDerWaalsContact CB-CD1 3.47Å; H35-L37 HydrophobicContact CB-CG 3.78Å; H35-L37 PolarHBondContact O-N 3Å; H35-W120 AromaticContact CE1-CH2 3.99Å
36G62.4Low76.8Confident54 Ų5460.3 Ų60.356%0.55730%0.3SS*.  trans59.625.7-177.300000112.2M32 I38M32-G36 WeakPolarHBondContact O-CA 3.46Å; M32-G36 PolarHBondContact O-N 3.44Å; M32-G36 VanDerWaalsContact O-N 3.14Å; G36-I38 PolarHBondContact O-N 3.12Å
37L65.4Low76.8Confident6 Ų663.4 Ų63.43%0.03131%0.311CS..PPolyproline II helixtrans-63.6124.7-179.7-77.8149.2000108.7F31 H35 F104 K108 W120F31-L37 HydrophobicContact CB-CD1 3.89Å; F31-L37 HydrophobicContact CD1-CD1 4.27Å; F31-L37 HydrophobicContact CG-CD1 4.46Å; H35-L37 HydrophobicContact CB-CD1 3.47Å; H35-L37 VanDerWaalsContact CB-CD1 3.47Å; H35-L37 HydrophobicContact CB-CG 3.78Å; H35-L37 PolarHBondContact O-N 3Å; L37-F104 HydrophobicContact CB-CZ 4.31Å; L37-F104 HydrophobicContact CD1-CE1 4.45Å; L37-K108 HydrophobicContact CD2-CB 3.88Å; L37-W120 HydrophobicContact CD1-CD2 4.26Å; L37-W120 HydrophobicContact CD1-CE3 4.07Å; L37-W120 HydrophobicContact CD2-CB 3.86Å; L37-W120 HydrophobicContact CD2-CD2 4.05Å; L37-W120 HydrophobicContact CD2-CG 3.67Å
38I65.7Low77Confident84 Ų8467.9 Ų67.943%0.43133%0.334SS..EExtended strand (participates in β ladder)trans-80120172.8-61.6179.8000107.6G36 T40 G106 L107 E109G36-I38 PolarHBondContact O-N 3.12Å; I38-T40 PolarHBondContact O-N 3.37Å; I38-G106 CarbonylContact O-C 3.53Å; I38-G106 VanDerWaalsContact O-CA 3.3Å; I38-G106 WeakPolarHBondContact O-CA 3.18Å; I38-L107 PolarHBondContact N-O 2.98Å; I38-L107 PolarHBondContact O-N 3.47Å; I38-E109 VanDerWaalsContact CD1-CD 3.45Å; I38-E109 HydrophobicContact CD1-CG 3.89Å; I38-E109 WeakPolarHBondContact CD1-OE2 3.31Å
39E70.6Confident77.3Confident34 Ų3469.6 Ų69.616%0.15935%0.345CS..EExtended strand (participates in β ladder)trans-62129.3-179.4-44.3-148.5130.700110.6K28 M32 H41 F104K28-E39 WeakPolarHBondContact CE-OE1 3.47Å; K28-E39 WeakPolarHBondContact CE-OE2 3.45Å; K28-E39 WeakPolarHBondContact CG-OE1 3.3Å; K28-E39 IonicContact NZ-OE1 2.69Å; K28-E39 IonicContact NZ-OE2 3.02Å; K28-E39 PolarHBondContact NZ-OE2 2.82Å; M32-E39 VanDerWaalsContact CE-CD 3.43Å; M32-E39 HydrophobicContact CE-CG 3.49Å; M32-E39 VanDerWaalsContact CE-CG 3.49Å; M32-E39 WeakPolarHBondContact CE-OE1 3.49Å; M32-E39 HydrophobicContact CG-CG 4.27Å; M32-E39 VanDerWaalsContact CG-OE1 3.26Å; M32-E39 WeakPolarHBondContact CG-OE1 3.27Å; M32-E39 HydrophobicContact SD-CG 4.18Å; E39-H41 IonicContact OE2-CE1 3.54Å; E39-H41 PolarHBondContact OE2-CE1 3.29Å; E39-H41 IonicContact OE2-NE2 3.01Å; E39-H41 PolarHBondContact OE2-NE2 3.01Å; E39-F104 HydrophobicContact CB-CE2 4.12Å; E39-F104 HydrophobicContact CG-CE2 3.8Å; E39-F104 HydrophobicContact CG-CZ 4.45Å; E39-F104 WeakPolarHBondContact OE1-CE2 3.31Å
40T71.6Confident77.5Confident24 Ų2467.5 Ų67.515%0.14734%0.336CS..  trans-99.4100.1171.4-60.80000108.4I38 K42 T105 L107I38-T40 PolarHBondContact O-N 3.37Å; T40-K42 HydrophobicContact CG2-CB 3.91Å; T40-K42 HydrophobicContact CG2-CD 3.53Å; T40-K42 HydrophobicContact CG2-CG 3.5Å; T40-K42 VanDerWaalsContact CG2-CG 3.5Å; T40-K42 PolarHBondContact O-N 3.35Å; T40-T105 HydrophobicContact CG2-CG2 4.43Å; T40-T105 PolarHBondContact N-O 3.01Å; T40-L107 VanDerWaalsContact OG1-CD1 3.27Å; T40-L107 WeakPolarHBondContact OG1-CD1 3.48Å; T40-L107 VanDerWaalsContact OG1-CG 3.31Å; T40-L107 WeakPolarHBondContact OG1-CG 3.32Å
41H76.2Confident77.8Confident93 Ų9369.5 Ų69.543%0.43135%0.35SS..THydrogen-bonded Turntrans-80.67.9179-64.8-69.4000114.5E39 L43 F44 D45E39-H41 IonicContact OE2-CE1 3.54Å; E39-H41 PolarHBondContact OE2-CE1 3.29Å; E39-H41 IonicContact OE2-NE2 3.01Å; E39-H41 PolarHBondContact OE2-NE2 3.01Å; H41-L43 PolarHBondContact O-N 3.43Å; H41-F44 PolarHBondContact O-N 3.4Å; H41-D45 VanDerWaalsContact O-CG 3.26Å; H41-D45 PolarHBondContact O-N 2.95Å
42K73.4Confident78.2Confident152 Ų15273 Ų7366%0.66137%0.372SS*.Hα-helixtrans-49.5-38.1-174.4-70.7178.8-176.7179.40114.1T40 G46T40-K42 HydrophobicContact CG2-CB 3.91Å; T40-K42 HydrophobicContact CG2-CD 3.53Å; T40-K42 HydrophobicContact CG2-CG 3.5Å; T40-K42 VanDerWaalsContact CG2-CG 3.5Å; T40-K42 PolarHBondContact O-N 3.35Å; K42-G46 PolarHBondContact O-N 3.43Å
43L74.9Confident78.8Confident36 Ų3672.5 Ų72.519%0.18837%0.37CS..Hα-helixtrans-65.2-49.6178.6-70.4167.9000111.8H41 G46 R47 Y94 I98 V102H41-L43 PolarHBondContact O-N 3.43Å; L43-G46 PolarHBondContact O-N 2.86Å; L43-R47 PolarHBondContact O-N 3.1Å; L43-Y94 PolarHBondContact O-OH 3.27Å; L43-Y94 VanDerWaalsContact O-OH 3.11Å; L43-I98 HydrophobicContact CD2-CG2 3.58Å; L43-V102 HydrophobicContact CD1-CB 3.69Å; L43-V102 HydrophobicContact CD1-CG1 3.42Å; L43-V102 VanDerWaalsContact CD1-CG1 3.42Å; L43-V102 HydrophobicContact CD1-CG2 4.37Å
44F78.2Confident79.3Confident110 Ų11065.3 Ų65.348%0.48234%0.342SS..Hα-helixtrans-66.8-41.1178.8-172.7-91.5000111.3H41 G46 R47 L48H41-F44 PolarHBondContact O-N 3.4Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.04Å; F44-R47 VanDerWaalsContact CD2-NH2 3.31Å; F44-R47 PolarHBondContact O-N 3.01Å; F44-L48 PolarHBondContact O-N 2.94Å
45D84.8Confident80.1Confident71 Ų7164.5 Ų64.538%0.3835%0.346SS..Hα-helixtrans-61.3-40177.1-65.2-25000111.5H41 R47 L48 I49H41-D45 VanDerWaalsContact O-CG 3.26Å; H41-D45 PolarHBondContact O-N 2.95Å; D45-R47 PolarHBondContact O-N 2.75Å; D45-L48 WeakPolarHBondContact O-CB 3.18Å; D45-L48 PolarHBondContact O-N 2.79Å; D45-I49 WeakPolarHBondContact O-CB 3.2Å; D45-I49 VanDerWaalsContact O-CG1 3.24Å; D45-I49 WeakPolarHBondContact O-CG1 3.32Å; D45-I49 PolarHBondContact O-N 2.92Å
46G84.6Confident81.4Confident16 Ų1668 Ų6817%0.16537%0.366CS..Hα-helixtrans-63.1-41.4175.900000112.6K42 L43 F44 I49 L50 Y94K42-G46 PolarHBondContact O-N 3.43Å; L43-G46 PolarHBondContact O-N 2.86Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.04Å; G46-I49 PolarHBondContact O-N 3.5Å; G46-L50 VanDerWaalsContact O-CG 3.31Å; G46-L50 WeakPolarHBondContact O-CG 3.18Å; G46-L50 PolarHBondContact O-N 2.93Å; G46-Y94 WeakPolarHBondContact CA-OH 3.49Å
47R87.3Confident82.5Confident74 Ų7468.6 Ų68.628%0.27936%0.355SS..Hα-helixtrans-63.6-42.8173.1-174.4172.268.8-151.63.2111.3L43 F44 D45 L50 C51 Y94 E99L43-R47 PolarHBondContact O-N 3.1Å; F44-R47 VanDerWaalsContact CD2-NH2 3.31Å; F44-R47 PolarHBondContact O-N 3.01Å; D45-R47 PolarHBondContact O-N 2.75Å; R47-L50 PolarHBondContact O-N 2.95Å; R47-C51 PolarHBondContact O-N 2.9Å; R47-C51 PolarHBondContact O-SG 3.29Å; R47-C51 VanDerWaalsContact O-SG 3.34Å; R47-Y94 HydrophobicContact CB-CE1 4.3Å; R47-E99 IonicContact CZ-OE1 3.06Å; R47-E99 IonicContact NH1-OE1 2.86Å; R47-E99 PolarHBondContact NH1-OE1 3.34Å; R47-E99 IonicContact NH1-OE2 2.84Å; R47-E99 PolarHBondContact NH1-OE2 3.03Å
48L90.1Very high83.5Confident94 Ų9470.2 Ų70.249%0.49237%0.37SS..Hα-helixtrans-60.3-48.2178.2-176.164.3000111.2F44 D45 L50 C51 T52F44-L48 PolarHBondContact O-N 2.94Å; D45-L48 WeakPolarHBondContact O-CB 3.18Å; D45-L48 PolarHBondContact O-N 2.79Å; L48-L50 PolarHBondContact O-N 3.25Å; L48-C51 PolarHBondContact O-N 3.43Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.22Å
49I90.8Very high84.6Confident100 Ų10068.2 Ų68.251%0.51337%0.37SS..Hα-helixtrans-59.1-45.9177.9-69.4163.8000110.9D45 G46 C51 T52 I53D45-I49 WeakPolarHBondContact O-CB 3.2Å; D45-I49 VanDerWaalsContact O-CG1 3.24Å; D45-I49 WeakPolarHBondContact O-CG1 3.32Å; D45-I49 PolarHBondContact O-N 2.92Å; G46-I49 PolarHBondContact O-N 3.5Å; I49-C51 VanDerWaalsContact C-N 3.35Å; I49-C51 PolarHBondContact O-N 3.15Å; I49-T52 PolarHBondContact O-N 3.22Å; I49-I53 HydrophobicContact CG2-CD1 3.84Å; I49-I53 HydrophobicContact CG2-CG1 4.47Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.37Å
50L89.7Confident85.3Confident39 Ų3972.4 Ų72.420%0.20439%0.388CS..Hα-helixtrans-61.1-42.9177.6-72.4173.4000112.1G46 R47 L48 I53 S54 I90 I91 Y94G46-L50 VanDerWaalsContact O-CG 3.31Å; G46-L50 WeakPolarHBondContact O-CG 3.18Å; G46-L50 PolarHBondContact O-N 2.93Å; R47-L50 PolarHBondContact O-N 2.95Å; L48-L50 PolarHBondContact O-N 3.25Å; L50-I53 PolarHBondContact O-N 3.13Å; L50-S54 WeakPolarHBondContact O-CB 3.48Å; L50-S54 PolarHBondContact O-N 3.29Å; L50-S54 PolarHBondContact O-OG 2.77Å; L50-I90 HydrophobicContact CD2-CG2 4.34Å; L50-I91 HydrophobicContact CB-CG1 4.19Å; L50-Y94 HydrophobicContact CD1-CD1 4.26Å; L50-Y94 HydrophobicContact CD1-CD2 3.66Å; L50-Y94 HydrophobicContact CD1-CE2 4.3Å; L50-Y94 HydrophobicContact CD1-CG 3.66Å
51C89.7Confident85.9Confident51 Ų5172 Ų7235%0.34539%0.389SS..Hα-helixtrans-64-42.6174.4-71.60000111.6R47 L48 I49 S54 V55R47-C51 PolarHBondContact O-N 2.9Å; R47-C51 PolarHBondContact O-SG 3.29Å; R47-C51 VanDerWaalsContact O-SG 3.34Å; L48-C51 PolarHBondContact O-N 3.43Å; I49-C51 VanDerWaalsContact C-N 3.35Å; I49-C51 PolarHBondContact O-N 3.15Å; C51-S54 WeakPolarHBondContact O-CB 3.33Å; C51-S54 PolarHBondContact O-N 2.78Å; C51-V55 WeakPolarHBondContact O-CG2 3.45Å; C51-V55 PolarHBondContact O-N 2.79Å
52T92.2Very high86.1Confident73 Ų7372 Ų7245%0.44840%0.395SS..Hα-helixtrans-60.8-47177.2-59.30000111.3L48 I49 S54 V55 L56L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 3.22Å; I49-T52 PolarHBondContact O-N 3.22Å; T52-S54 VanDerWaalsContact C-N 3.28Å; T52-S54 PolarHBondContact O-N 3.32Å; T52-V55 PolarHBondContact O-N 2.75Å; T52-L56 HydrophobicContact CG2-CD1 4.13Å; T52-L56 HydrophobicContact CG2-CG 4.45Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 VanDerWaalsContact O-CG 3.3Å; T52-L56 WeakPolarHBondContact O-CG 3.14Å; T52-L56 PolarHBondContact O-N 2.89Å
53I91Very high86.7Confident76 Ų7669.3 Ų69.339%0.3939%0.388SS..Hα-helixtrans-58.7-44.1175.3-67.8166000110I49 L50 V55 L56 I57I49-I53 HydrophobicContact CG2-CD1 3.84Å; I49-I53 HydrophobicContact CG2-CG1 4.47Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.37Å; L50-I53 PolarHBondContact O-N 3.13Å; I53-V55 PolarHBondContact O-N 2.73Å; I53-L56 PolarHBondContact O-N 2.81Å; I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.36Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.79Å
54S88.9Confident86.8Confident20 Ų2071.4 Ų71.414%0.1440%0.395CS..Hα-helixtrans-59.2-46.4179.1-58.50000112.3L50 C51 T52 I57 A58L50-S54 WeakPolarHBondContact O-CB 3.48Å; L50-S54 PolarHBondContact O-N 3.29Å; L50-S54 PolarHBondContact O-OG 2.77Å; C51-S54 WeakPolarHBondContact O-CB 3.33Å; C51-S54 PolarHBondContact O-N 2.78Å; T52-S54 VanDerWaalsContact C-N 3.28Å; T52-S54 PolarHBondContact O-N 3.32Å; S54-I57 PolarHBondContact O-N 2.9Å; S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 2.87Å
55V90.1Very high87Confident102 Ų10269.1 Ų69.162%0.61839%0.388SS*.Hα-helixtrans-67.4-38178.3174.20000111.4C51 T52 I53 A58 G59C51-V55 WeakPolarHBondContact O-CG2 3.45Å; C51-V55 PolarHBondContact O-N 2.79Å; T52-V55 PolarHBondContact O-N 2.75Å; I53-V55 PolarHBondContact O-N 2.73Å; V55-A58 PolarHBondContact O-N 3.2Å; V55-G59 PolarHBondContact O-N 3.02Å
56L91.2Very high86.4Confident119 Ų11974.7 Ų74.762%0.62341%0.405SS*.Hα-helixtrans-62.8-44.8176.5-74173.6000111.7T52 I53 G59 F60T52-L56 HydrophobicContact CG2-CD1 4.13Å; T52-L56 HydrophobicContact CG2-CG 4.45Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 VanDerWaalsContact O-CG 3.3Å; T52-L56 WeakPolarHBondContact O-CG 3.14Å; T52-L56 PolarHBondContact O-N 2.89Å; I53-L56 PolarHBondContact O-N 2.81Å; L56-G59 PolarHBondContact O-N 2.92Å; L56-F60 PolarHBondContact O-N 3.06Å
57I86.5Confident86.2Confident66 Ų6678.8 Ų78.834%0.33842%0.423SS..Hα-helixtrans-70.1-38.1178.7-51.8160.4000110.8I53 S54 F60 G61 L83 L87I53-I57 HydrophobicContact CG2-CD1 3.75Å; I53-I57 HydrophobicContact CG2-CG1 4.36Å; I53-I57 VanDerWaalsContact O-CG1 3.3Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.79Å; S54-I57 PolarHBondContact O-N 2.9Å; I57-F60 PolarHBondContact O-N 2.84Å; I57-G61 PolarHBondContact O-N 2.84Å; I57-L83 HydrophobicContact CB-CD2 3.78Å; I57-L83 HydrophobicContact CD1-CD2 4.16Å; I57-L83 HydrophobicContact CG2-CD2 3.08Å; I57-L87 HydrophobicContact CD1-CD1 4.46Å
58A86.7Confident85.3Confident41 Ų4181.9 Ų81.934%0.33944%0.435SS..Hα-helixtrans-61.4-44.4173.400000111.6S54 V55 F60 G61 V62S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 2.87Å; V55-A58 PolarHBondContact O-N 3.2Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.27Å; A58-G61 PolarHBondContact O-N 3.41Å; A58-G61 VanDerWaalsContact O-N 3.14Å; A58-V62 WeakPolarHBondContact O-CG2 3.35Å; A58-V62 PolarHBondContact O-N 3Å
59G87.7Confident84.4Confident42 Ų4282.1 Ų82.143%0.43344%0.442SS..Hα-helixtrans-60.9-40.5175.800000112.4V55 L56 V62 L63V55-G59 PolarHBondContact O-N 3.02Å; L56-G59 PolarHBondContact O-N 2.92Å; G59-V62 PolarHBondContact O-N 3.35Å; G59-L63 WeakPolarHBondContact O-CB 3.42Å; G59-L63 PolarHBondContact O-N 2.86Å
60F85.8Confident82.7Confident122 Ų12283.1 Ų83.154%0.53544%0.444SS..Hα-helixtrans-63.8-43.1172.5-168.9-98.8000111.7L56 I57 A58 V62 L63 F64L56-F60 PolarHBondContact O-N 3.06Å; I57-F60 PolarHBondContact O-N 2.84Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.27Å; F60-V62 PolarHBondContact O-N 3.07Å; F60-L63 PolarHBondContact O-N 3.45Å; F60-F64 AromaticContact CD1-CD2 3.77Å; F60-F64 HydrophobicContact CD1-CD2 3.77Å; F60-F64 AromaticContact CD1-CE2 3.82Å; F60-F64 HydrophobicContact CD1-CE2 3.82Å; F60-F64 HydrophobicContact CD2-CD2 4.41Å; F60-F64 HydrophobicContact CD2-CE2 4.08Å; F60-F64 AromaticContact CE1-CD2 3.58Å; F60-F64 HydrophobicContact CE1-CD2 3.58Å; F60-F64 AromaticContact CE1-CE2 3.19Å; F60-F64 HydrophobicContact CE1-CE2 3.19Å; F60-F64 AromaticContact CE1-CZ 3.9Å; F60-F64 HydrophobicContact CE1-CZ 3.9Å; F60-F64 HydrophobicContact CE2-CD2 4.25Å; F60-F64 AromaticContact CE2-CE2 3.5Å; F60-F64 HydrophobicContact CE2-CE2 3.5Å; F60-F64 VanDerWaalsContact CE2-CE2 3.5Å; F60-F64 HydrophobicContact CE2-CZ 4.39Å; F60-F64 HydrophobicContact CG-CD2 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.25Å; F60-F64 AromaticContact CZ-CD2 3.87Å; F60-F64 HydrophobicContact CZ-CD2 3.87Å; F60-F64 AromaticContact CZ-CE2 3.03Å; F60-F64 HydrophobicContact CZ-CE2 3.03Å; F60-F64 AromaticContact CZ-CZ 3.66Å; F60-F64 HydrophobicContact CZ-CZ 3.66Å; F60-F64 WeakPolarHBondContact O-CD2 3.2Å; F60-F64 PolarHBondContact O-N 2.87Å
61G83.8Confident81.4Confident16 Ų1686.4 Ų86.417%0.16547%0.468CS..Hα-helixtrans-59-44.7175.400000112.8I57 A58 F64 D65I57-G61 PolarHBondContact O-N 2.84Å; A58-G61 PolarHBondContact O-N 3.41Å; A58-G61 VanDerWaalsContact O-N 3.14Å; G61-F64 PolarHBondContact O-N 3.18Å; G61-D65 PolarHBondContact O-N 3.02Å
62V81.4Confident80.1Confident93 Ų9391.1 Ų91.156%0.56449%0.485SS*.Hα-helixtrans-66.1-38.7176174.20000111.5A58 G59 F60 F64 D65 Y66A58-V62 WeakPolarHBondContact O-CG2 3.35Å; A58-V62 PolarHBondContact O-N 3Å; G59-V62 PolarHBondContact O-N 3.35Å; F60-V62 PolarHBondContact O-N 3.07Å; V62-F64 VanDerWaalsContact C-N 3.33Å; V62-F64 PolarHBondContact O-N 2.95Å; V62-D65 PolarHBondContact O-N 2.85Å; V62-Y66 WeakPolarHBondContact O-CB 3.35Å; V62-Y66 PolarHBondContact O-N 3.38Å
63L84.3Confident78.9Confident95 Ų9587.9 Ų87.950%0.49747%0.465SS..Hα-helixtrans-62.7-40.7176.4-17762.3000111.7G59 F60 Y66 L67G59-L63 WeakPolarHBondContact O-CB 3.42Å; G59-L63 PolarHBondContact O-N 2.86Å; F60-L63 PolarHBondContact O-N 3.45Å; L63-Y66 PolarHBondContact O-N 2.89Å; L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-L67 VanDerWaalsContact O-N 3.13Å
64F78.5Confident77.9Confident80 Ų8092.2 Ų92.235%0.35148%0.477SS..Hα-helixtrans-67.8-38.9174.4-90.1-97.5000112.7F60 G61 V62 Y66 L67 Y68 V76F60-F64 AromaticContact CD1-CD2 3.77Å; F60-F64 HydrophobicContact CD1-CD2 3.77Å; F60-F64 AromaticContact CD1-CE2 3.82Å; F60-F64 HydrophobicContact CD1-CE2 3.82Å; F60-F64 HydrophobicContact CD2-CD2 4.41Å; F60-F64 HydrophobicContact CD2-CE2 4.08Å; F60-F64 AromaticContact CE1-CD2 3.58Å; F60-F64 HydrophobicContact CE1-CD2 3.58Å; F60-F64 AromaticContact CE1-CE2 3.19Å; F60-F64 HydrophobicContact CE1-CE2 3.19Å; F60-F64 AromaticContact CE1-CZ 3.9Å; F60-F64 HydrophobicContact CE1-CZ 3.9Å; F60-F64 HydrophobicContact CE2-CD2 4.25Å; F60-F64 AromaticContact CE2-CE2 3.5Å; F60-F64 HydrophobicContact CE2-CE2 3.5Å; F60-F64 VanDerWaalsContact CE2-CE2 3.5Å; F60-F64 HydrophobicContact CE2-CZ 4.39Å; F60-F64 HydrophobicContact CG-CD2 4.21Å; F60-F64 HydrophobicContact CG-CE2 4.25Å; F60-F64 AromaticContact CZ-CD2 3.87Å; F60-F64 HydrophobicContact CZ-CD2 3.87Å; F60-F64 AromaticContact CZ-CE2 3.03Å; F60-F64 HydrophobicContact CZ-CE2 3.03Å; F60-F64 AromaticContact CZ-CZ 3.66Å; F60-F64 HydrophobicContact CZ-CZ 3.66Å; F60-F64 WeakPolarHBondContact O-CD2 3.2Å; F60-F64 PolarHBondContact O-N 2.87Å; G61-F64 PolarHBondContact O-N 3.18Å; V62-F64 VanDerWaalsContact C-N 3.33Å; V62-F64 PolarHBondContact O-N 2.95Å; F64-Y66 VanDerWaalsContact C-N 3.31Å; F64-Y66 PolarHBondContact O-N 2.8Å; F64-L67 PolarHBondContact O-N 3.46Å; F64-Y68 HydrophobicContact CD1-CE2 4.48Å; F64-Y68 PolarHBondContact O-N 3.23Å; F64-Y68 VanDerWaalsContact O-N 3.16Å; F64-V76 HydrophobicContact CB-CG1 4.36Å
65D81Confident77.2Confident61 Ų6195.7 Ų95.733%0.32650%0.497SS..Hα-helixtrans-62.4-38.7174.4-170.963.1000111.6G61 V62 Y68 S73 V76G61-D65 PolarHBondContact O-N 3.02Å; V62-D65 PolarHBondContact O-N 2.85Å; D65-Y68 CarbonylContact O-C 3.42Å; D65-S73 WeakPolarHBondContact OD1-CB 2.64Å; D65-V76 HydrophobicContact CB-CG1 4.38Å
66Y74.1Confident76.6Confident189 Ų18992.7 Ų92.774%0.74148%0.479SS*.Hα-helixtrans-66.5-40.3175.9-177.4-101.6000113.1V62 L63 F64V62-Y66 WeakPolarHBondContact O-CB 3.35Å; V62-Y66 PolarHBondContact O-N 3.38Å; L63-Y66 PolarHBondContact O-N 2.89Å; F64-Y66 VanDerWaalsContact C-N 3.31Å; F64-Y66 PolarHBondContact O-N 2.8Å
67L80.2Confident76Confident102 Ų10291.8 Ų91.853%0.53447%0.474SS..Hα-helixtrans-72.2-30.1-179.1-72.4169.2000113.2L63 F64 P69L63-L67 HydrophobicContact CG-CD1 4.43Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.32Å; L63-L67 VanDerWaalsContact O-N 3.13Å; F64-L67 PolarHBondContact O-N 3.46Å; L67-P69 WeakPolarHBondContact O-CD 3.44Å
68Y68.4Low75.9Confident139 Ų13994 Ų9455%0.54549%0.486SS..SBendtrans-123.675.5-176.2-65.2-80.7000111.9F64 D65 S73F64-Y68 HydrophobicContact CD1-CE2 4.48Å; F64-Y68 PolarHBondContact O-N 3.23Å; F64-Y68 VanDerWaalsContact O-N 3.16Å; D65-Y68 CarbonylContact O-C 3.42Å; Y68-S73 WeakPolarHBondContact O-CB 3.26Å
69P71.1Confident75.7Confident98 Ų9896.3 Ų96.364%0.63650%0.496SS*.  trans-63.7152.3-179.423.3-31.3000113.2L67L67-P69 WeakPolarHBondContact O-CD 3.44Å
70H53.7Low75.6Confident121 Ų12196.5 Ų96.556%0.5649%0.49SS*.THydrogen-bonded Turntrans-41.5129.4-174.2-158.4-87.7000113.2R74H70-R74 PolarHBondContact NE2-NE 3.08Å
71P62.5Low75.6Confident108 Ų10895.1 Ų95.170%0.70149%0.491SS*.THydrogen-bonded Turncis-103.6-1.338.536.7-35.8000116.7
72H62.6Low75.8Confident150 Ų15097.6 Ų97.669%0.69450%0.503SS*.THydrogen-bonded Turntrans-83.9-14.7-175.2-150-53.2000113.5R74H72-R74 PolarHBondContact O-N 3.4Å
73S66.8Low76.1Confident6 Ų695.8 Ų95.84%0.04249%0.49CS..THydrogen-bonded Turntrans-80.7-9.1-173.162.70000116.2D65 Y68 T75 V76 L77D65-S73 WeakPolarHBondContact OD1-CB 2.64Å; Y68-S73 WeakPolarHBondContact O-CB 3.26Å; S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 VanDerWaalsContact O-N 3.17Å; S73-V76 WeakPolarHBondContact O-CB 3.5Å; S73-V76 PolarHBondContact O-N 2.58Å; S73-L77 PolarHBondContact O-N 2.74Å; S73-L77 VanDerWaalsContact O-N 3.07Å
74R71.2Confident76.3Confident167 Ų16799.1 Ų99.163%0.6350%0.497SS*.Hα-helixtrans-53.7-39.9178.6-70.9-175173.8-167.4-2.4112.4H70 H72 V76 L77 I78H70-R74 PolarHBondContact NE2-NE 3.08Å; H72-R74 PolarHBondContact O-N 3.4Å; R74-V76 VanDerWaalsContact C-N 3.34Å; R74-V76 PolarHBondContact O-N 2.8Å; R74-L77 PolarHBondContact O-N 3.38Å; R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.28Å; R74-I78 PolarHBondContact O-N 3Å; R74-I78 VanDerWaalsContact O-N 3.08Å
75T74.3Confident76.9Confident92 Ų92102.1 Ų102.156%0.56451%0.51SS*.Hα-helixtrans-64.4-39.5178-49.80000111.8S73 I78 V79S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 VanDerWaalsContact O-N 3.17Å; T75-I78 PolarHBondContact O-N 3.18Å; T75-V79 WeakPolarHBondContact O-CB 3.41Å; T75-V79 VanDerWaalsContact O-CG2 3.24Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.04Å
76V77.2Confident77.4Confident40 Ų40105 Ų10524%0.24252%0.52CS..Hα-helixtrans-66.3-44.4179.6-177.60000110.4F64 D65 S73 R74 I78 V79 C80F64-V76 HydrophobicContact CB-CG1 4.36Å; D65-V76 HydrophobicContact CB-CG1 4.38Å; S73-V76 WeakPolarHBondContact O-CB 3.5Å; S73-V76 PolarHBondContact O-N 2.58Å; R74-V76 VanDerWaalsContact C-N 3.34Å; R74-V76 PolarHBondContact O-N 2.8Å; V76-I78 PolarHBondContact O-N 3.11Å; V76-V79 PolarHBondContact O-N 2.62Å; V76-C80 VanDerWaalsContact O-CB 3.32Å; V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 3Å
77L78.5Confident78.1Confident100 Ų10097.2 Ų97.252%0.52449%0.491SS..Hα-helixtrans-59.7-45.8176.1-107.4164.8000112.1S73 R74 C80 V81S73-L77 PolarHBondContact O-N 2.74Å; S73-L77 VanDerWaalsContact O-N 3.07Å; R74-L77 PolarHBondContact O-N 3.38Å; L77-C80 PolarHBondContact O-N 2.95Å; L77-V81 WeakPolarHBondContact O-CG2 3.18Å; L77-V81 PolarHBondContact O-N 2.75Å
78I83.4Confident78.6Confident112 Ų11294.5 Ų94.557%0.57448%0.481SS*.Hα-helixtrans-61-48.4176.8-67.9165.7000110.4R74 T75 V76 C80 V81 T82R74-I78 VanDerWaalsContact O-CG1 3.31Å; R74-I78 WeakPolarHBondContact O-CG1 3.28Å; R74-I78 PolarHBondContact O-N 3Å; R74-I78 VanDerWaalsContact O-N 3.08Å; T75-I78 PolarHBondContact O-N 3.18Å; V76-I78 PolarHBondContact O-N 3.11Å; I78-C80 VanDerWaalsContact C-N 3.29Å; I78-C80 PolarHBondContact O-N 2.94Å; I78-V81 PolarHBondContact O-N 3.36Å; I78-T82 WeakPolarHBondContact O-CB 2.99Å; I78-T82 PolarHBondContact O-N 2.99Å; I78-T82 PolarHBondContact O-OG1 3.1Å
79V83.9Confident79.7Confident90 Ų9090.2 Ų90.255%0.54547%0.474SS..Hα-helixtrans-59-42.2177.8169.80000111.2T75 V76 T82 L83T75-V79 WeakPolarHBondContact O-CB 3.41Å; T75-V79 VanDerWaalsContact O-CG2 3.24Å; T75-V79 WeakPolarHBondContact O-CG2 3.41Å; T75-V79 PolarHBondContact O-N 3.04Å; V76-V79 PolarHBondContact O-N 2.62Å; V79-T82 PolarHBondContact O-N 3Å; V79-L83 VanDerWaalsContact O-CB 3.26Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 2.86Å
80C84.5Confident80.7Confident46 Ų4689.8 Ų89.831%0.31147%0.465SS..Hα-helixtrans-61.9-48.3178.9-1740000112V76 L77 I78 L83 Y84V76-C80 VanDerWaalsContact O-CB 3.32Å; V76-C80 WeakPolarHBondContact O-CB 3.42Å; V76-C80 PolarHBondContact O-N 3Å; L77-C80 PolarHBondContact O-N 2.95Å; I78-C80 VanDerWaalsContact C-N 3.29Å; I78-C80 PolarHBondContact O-N 2.94Å; C80-L83 PolarHBondContact O-N 3.4Å; C80-Y84 WeakPolarHBondContact O-CB 3.49Å; C80-Y84 PolarHBondContact O-N 3.32Å
81V85.4Confident82.3Confident92 Ų9285.9 Ų85.956%0.55845%0.448SS*.Hα-helixtrans-65.3-42.9178.8175.20000111.3L77 I78 L83 Y84 F85L77-V81 WeakPolarHBondContact O-CG2 3.18Å; L77-V81 PolarHBondContact O-N 2.75Å; I78-V81 PolarHBondContact O-N 3.36Å; V81-L83 PolarHBondContact O-N 3.3Å; V81-Y84 PolarHBondContact O-N 2.71Å; V81-F85 PolarHBondContact O-N 3.47Å
82T88.1Confident83.6Confident68 Ų6883.6 Ų83.642%0.41743%0.432SS..Hα-helixtrans-60.9-45.2176.1-62.20000111.2I78 V79 F85 F86I78-T82 WeakPolarHBondContact O-CB 2.99Å; I78-T82 PolarHBondContact O-N 2.99Å; I78-T82 PolarHBondContact O-OG1 3.1Å; V79-T82 PolarHBondContact O-N 3Å; T82-F85 WeakPolarHBondContact O-CB 3.47Å; T82-F85 PolarHBondContact O-N 3.2Å; T82-F86 HydrophobicContact CG2-CD2 3.83Å; T82-F86 HydrophobicContact CG2-CE2 3.47Å; T82-F86 VanDerWaalsContact CG2-CE2 3.47Å; T82-F86 WeakPolarHBondContact O-CD2 3.44Å; T82-F86 PolarHBondContact O-N 3.05Å; T82-F86 VanDerWaalsContact O-N 3.15Å
83L88.5Confident84.9Confident56 Ų5681.1 Ų81.129%0.29342%0.424SS..Hα-helixtrans-65.3-41.9178.3-176.770.5000112I57 V79 C80 V81 F85 F86 L87I57-L83 HydrophobicContact CB-CD2 3.78Å; I57-L83 HydrophobicContact CD1-CD2 4.16Å; I57-L83 HydrophobicContact CG2-CD2 3.08Å; V79-L83 VanDerWaalsContact O-CB 3.26Å; V79-L83 WeakPolarHBondContact O-CB 3.48Å; V79-L83 PolarHBondContact O-N 2.86Å; C80-L83 PolarHBondContact O-N 3.4Å; V81-L83 PolarHBondContact O-N 3.3Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.32Å; L83-F86 PolarHBondContact O-N 2.96Å; L83-L87 HydrophobicContact CD1-CD1 4.29Å; L83-L87 HydrophobicContact CD1-CG 4.3Å; L83-L87 HydrophobicContact CD2-CD1 4.08Å; L83-L87 HydrophobicContact CG-CD1 3.73Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.41Å
84Y88Confident85.8Confident164 Ų16482.7 Ų82.764%0.64343%0.429SS*.Hα-helixtrans-57.3-42.7174.9173.6-100.3000111.6C80 V81 F86 L87 S88C80-Y84 WeakPolarHBondContact O-CB 3.49Å; C80-Y84 PolarHBondContact O-N 3.32Å; V81-Y84 PolarHBondContact O-N 2.71Å; Y84-F86 PolarHBondContact O-N 2.86Å; Y84-L87 PolarHBondContact O-N 3.22Å; Y84-S88 WeakPolarHBondContact O-CB 3.38Å; Y84-S88 PolarHBondContact O-N 3.44Å
85F90.9Very high86.3Confident144 Ų14477.3 Ų77.363%0.63242%0.415SS*.Hα-helixtrans-59.8-46.4175.9-177.7-96.7000111.9V81 T82 L83 A89V81-F85 PolarHBondContact O-N 3.47Å; T82-F85 WeakPolarHBondContact O-CB 3.47Å; T82-F85 PolarHBondContact O-N 3.2Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.32Å; F85-A89 WeakPolarHBondContact O-CB 3.4Å; F85-A89 PolarHBondContact O-N 3.39Å
86F91.5Very high86.7Confident120 Ų12079 Ų7953%0.52642%0.418SS..Hα-helixtrans-65.9-44.7177.6-75-65.8000112.9T82 L83 Y84 A89 I90T82-F86 HydrophobicContact CG2-CD2 3.83Å; T82-F86 HydrophobicContact CG2-CE2 3.47Å; T82-F86 VanDerWaalsContact CG2-CE2 3.47Å; T82-F86 WeakPolarHBondContact O-CD2 3.44Å; T82-F86 PolarHBondContact O-N 3.05Å; T82-F86 VanDerWaalsContact O-N 3.15Å; L83-F86 PolarHBondContact O-N 2.96Å; Y84-F86 PolarHBondContact O-N 2.86Å; F86-A89 PolarHBondContact O-N 3.42Å; F86-I90 VanDerWaalsContact O-CG1 3.25Å; F86-I90 WeakPolarHBondContact O-CG1 3.26Å; F86-I90 PolarHBondContact O-N 3.43Å
87L89.8Confident86.8Confident26 Ų2684.5 Ų84.514%0.13644%0.435CS..Hα-helixtrans-62.9-43.2177.6-72.3167.2000111.3I57 L83 Y84 A89 I90 I91I57-L87 HydrophobicContact CD1-CD1 4.46Å; L83-L87 HydrophobicContact CD1-CD1 4.29Å; L83-L87 HydrophobicContact CD1-CG 4.3Å; L83-L87 HydrophobicContact CD2-CD1 4.08Å; L83-L87 HydrophobicContact CG-CD1 3.73Å; L83-L87 HydrophobicContact CG-CG 4.19Å; L83-L87 WeakPolarHBondContact O-CB 3.32Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.41Å; Y84-L87 PolarHBondContact O-N 3.22Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.91Å; L87-I90 PolarHBondContact O-N 3.11Å; L87-I91 WeakPolarHBondContact O-CB 2.97Å; L87-I91 VanDerWaalsContact O-CG1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.5Å; L87-I91 PolarHBondContact O-N 3.04Å
88S89.9Confident86.6Confident46 Ų4683.9 Ų83.932%0.32243%0.431SS..Hα-helixtrans-61.8-41.4175-173.30000111.6Y84 I91 T92Y84-S88 WeakPolarHBondContact O-CB 3.38Å; Y84-S88 PolarHBondContact O-N 3.44Å; S88-I91 PolarHBondContact O-N 3.43Å; S88-T92 VanDerWaalsContact O-CB 3.3Å; S88-T92 WeakPolarHBondContact O-CB 3.48Å; S88-T92 PolarHBondContact O-N 3.5Å; S88-T92 PolarHBondContact O-OG1 3Å
89A91.9Very high86Confident48 Ų4880.3 Ų80.340%0.39741%0.412SS..Hα-helixtrans-63.5-42.8174.100000112.2F85 F86 L87 T92 L93F85-A89 WeakPolarHBondContact O-CB 3.4Å; F85-A89 PolarHBondContact O-N 3.39Å; F86-A89 PolarHBondContact O-N 3.42Å; L87-A89 VanDerWaalsContact C-N 3.33Å; L87-A89 PolarHBondContact O-N 2.91Å; A89-T92 PolarHBondContact O-N 2.96Å; A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.4Å; A89-L93 PolarHBondContact O-N 2.88Å
90I91.3Very high85.1Confident89 Ų8982.6 Ų82.646%0.45642%0.415SS..Hα-helixtrans-63.8-45.9176.7-69.4163.7000110.9L50 F86 L87 T92 L93 Y94L50-I90 HydrophobicContact CD2-CG2 4.34Å; F86-I90 VanDerWaalsContact O-CG1 3.25Å; F86-I90 WeakPolarHBondContact O-CG1 3.26Å; F86-I90 PolarHBondContact O-N 3.43Å; L87-I90 PolarHBondContact O-N 3.11Å; I90-T92 VanDerWaalsContact C-N 3.34Å; I90-L93 PolarHBondContact O-N 3.06Å; I90-Y94 WeakPolarHBondContact O-CB 3.33Å; I90-Y94 PolarHBondContact O-N 2.69Å
91I88.3Confident84.2Confident39 Ų3985.1 Ų85.120%0.243%0.425CS..Hα-helixtrans-61.7-45.5177.2-68.8164.5000109.8L50 L87 S88 L93 Y94 V95L50-I91 HydrophobicContact CB-CG1 4.19Å; L87-I91 WeakPolarHBondContact O-CB 2.97Å; L87-I91 VanDerWaalsContact O-CG1 3.25Å; L87-I91 WeakPolarHBondContact O-CG1 3.5Å; L87-I91 PolarHBondContact O-N 3.04Å; S88-I91 PolarHBondContact O-N 3.43Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 3.5Å; I91-Y94 WeakPolarHBondContact O-CB 3.47Å; I91-Y94 PolarHBondContact O-N 3.27Å; I91-V95 WeakPolarHBondContact O-CG2 3.27Å; I91-V95 PolarHBondContact O-N 3.02Å
92T89.2Confident83.4Confident60 Ų6081.9 Ų81.937%0.36841%0.406SS..Hα-helixtrans-60.2-44.5177.3-58.80000111S88 A89 I90 V95 M96S88-T92 VanDerWaalsContact O-CB 3.3Å; S88-T92 WeakPolarHBondContact O-CB 3.48Å; S88-T92 PolarHBondContact O-N 3.5Å; S88-T92 PolarHBondContact O-OG1 3Å; A89-T92 PolarHBondContact O-N 2.96Å; I90-T92 VanDerWaalsContact C-N 3.34Å; T92-V95 PolarHBondContact O-N 3.13Å; T92-M96 HydrophobicContact CG2-CE 3.64Å; T92-M96 HydrophobicContact CG2-CG 4.44Å; T92-M96 HydrophobicContact CG2-SD 3.98Å; T92-M96 WeakPolarHBondContact O-CB 3.4Å; T92-M96 VanDerWaalsContact O-CG 3.28Å; T92-M96 WeakPolarHBondContact O-CG 3.24Å; T92-M96 PolarHBondContact O-N 3.34Å
93L89.5Confident82.7Confident98 Ų9881.1 Ų81.151%0.51340%0.397SS..Hα-helixtrans-63.7-43.5176.7-165.7155.9000111.1A89 I90 I91 V95 M96 Y97A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.4Å; A89-L93 PolarHBondContact O-N 2.88Å; I90-L93 PolarHBondContact O-N 3.06Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 3.5Å; L93-V95 PolarHBondContact O-N 2.99Å; L93-M96 PolarHBondContact O-N 2.93Å; L93-Y97 HydrophobicContact CB-CD2 4.44Å; L93-Y97 HydrophobicContact CD1-CE2 4.36Å; L93-Y97 HydrophobicContact CD2-CD2 3.57Å; L93-Y97 HydrophobicContact CD2-CE2 4.14Å; L93-Y97 HydrophobicContact CD2-CG 4.14Å; L93-Y97 HydrophobicContact CG-CD2 3.52Å; L93-Y97 HydrophobicContact CG-CE2 3.72Å; L93-Y97 WeakPolarHBondContact O-CB 3.42Å; L93-Y97 WeakPolarHBondContact O-CD2 3.35Å; L93-Y97 PolarHBondContact O-N 3.28Å
94Y86.2Confident81.8Confident39 Ų3978.8 Ų78.815%0.15338%0.384CS..Hα-helixtrans-57.2-49.5176-177.3-85.2000111.2L43 G46 R47 L50 I90 I91 M96 I98 E99L43-Y94 PolarHBondContact O-OH 3.27Å; L43-Y94 VanDerWaalsContact O-OH 3.11Å; G46-Y94 WeakPolarHBondContact CA-OH 3.49Å; R47-Y94 HydrophobicContact CB-CE1 4.3Å; L50-Y94 HydrophobicContact CD1-CD1 4.26Å; L50-Y94 HydrophobicContact CD1-CD2 3.66Å; L50-Y94 HydrophobicContact CD1-CE2 4.3Å; L50-Y94 HydrophobicContact CD1-CG 3.66Å; I90-Y94 WeakPolarHBondContact O-CB 3.33Å; I90-Y94 PolarHBondContact O-N 2.69Å; I91-Y94 WeakPolarHBondContact O-CB 3.47Å; I91-Y94 PolarHBondContact O-N 3.27Å; Y94-M96 PolarHBondContact O-N 3.02Å; Y94-I98 HydrophobicContact CD2-CB 4.49Å; Y94-I98 HydrophobicContact CD2-CD1 3.63Å; Y94-I98 HydrophobicContact CD2-CG1 4.36Å; Y94-I98 HydrophobicContact CE2-CB 4.39Å; Y94-I98 HydrophobicContact CE2-CD1 3.62Å; Y94-I98 HydrophobicContact CE2-CG1 4.49Å; Y94-I98 HydrophobicContact CE2-CG2 4.34Å; Y94-I98 HydrophobicContact CG-CD1 4.47Å; Y94-I98 WeakPolarHBondContact O-CA 3.16Å; Y94-I98 VanDerWaalsContact O-CB 3.28Å; Y94-I98 WeakPolarHBondContact O-CB 3.26Å; Y94-I98 PolarHBondContact O-N 3.27Å; Y94-E99 PolarHBondContact O-N 2.9Å
95V82.6Confident81.1Confident55 Ų5572.1 Ų72.133%0.33336%0.361SS..Iπ-helixtrans-61.9-44.7177.8174.90000111I91 T92 L93 E99 K100I91-V95 WeakPolarHBondContact O-CG2 3.27Å; I91-V95 PolarHBondContact O-N 3.02Å; T92-V95 PolarHBondContact O-N 3.13Å; L93-V95 PolarHBondContact O-N 2.99Å; V95-E99 HydrophobicContact CG1-CB 4.44Å; V95-E99 VanDerWaalsContact O-CB 3.23Å; V95-E99 WeakPolarHBondContact O-CB 3.23Å; V95-E99 PolarHBondContact O-N 2.84Å; V95-K100 PolarHBondContact O-N 3.47Å
96M81.9Confident80.2Confident128 Ų12865.3 Ų65.363%0.63133%0.331SS*.Iπ-helixtrans-70.5-39.8-177.4-73.2-176.9177.900114T92 L93 Y94 K100T92-M96 HydrophobicContact CG2-CE 3.64Å; T92-M96 HydrophobicContact CG2-CG 4.44Å; T92-M96 HydrophobicContact CG2-SD 3.98Å; T92-M96 WeakPolarHBondContact O-CB 3.4Å; T92-M96 VanDerWaalsContact O-CG 3.28Å; T92-M96 WeakPolarHBondContact O-CG 3.24Å; T92-M96 PolarHBondContact O-N 3.34Å; L93-M96 PolarHBondContact O-N 2.93Å; Y94-M96 PolarHBondContact O-N 3.02Å; M96-K100 WeakPolarHBondContact O-CG 3.47Å
97Y79.6Confident79.2Confident154 Ų15462.1 Ų62.160%0.60432%0.319SS*.Iπ-helixtrans-95.3-34.2-173-77.5-90.7000113.9L93 K100L93-Y97 HydrophobicContact CB-CD2 4.44Å; L93-Y97 HydrophobicContact CD1-CE2 4.36Å; L93-Y97 HydrophobicContact CD2-CD2 3.57Å; L93-Y97 HydrophobicContact CD2-CE2 4.14Å; L93-Y97 HydrophobicContact CD2-CG 4.14Å; L93-Y97 HydrophobicContact CG-CD2 3.52Å; L93-Y97 HydrophobicContact CG-CE2 3.72Å; L93-Y97 WeakPolarHBondContact O-CB 3.42Å; L93-Y97 WeakPolarHBondContact O-CD2 3.35Å; L93-Y97 PolarHBondContact O-N 3.28Å; Y97-K100 WeakPolarHBondContact O-CD 3.2Å; Y97-K100 VanDerWaalsContact O-CE 3.23Å; Y97-K100 WeakPolarHBondContact O-CE 3.43Å; Y97-K100 WeakPolarHBondContact O-CG 3.49Å
98I73.4Confident78.2Confident87 Ų8764.2 Ų64.245%0.44633%0.327SS..Iπ-helixtrans-100.3-46.8-175.6-56.1-170000110.5L43 Y94L43-I98 HydrophobicContact CD2-CG2 3.58Å; Y94-I98 HydrophobicContact CD2-CB 4.49Å; Y94-I98 HydrophobicContact CD2-CD1 3.63Å; Y94-I98 HydrophobicContact CD2-CG1 4.36Å; Y94-I98 HydrophobicContact CE2-CB 4.39Å; Y94-I98 HydrophobicContact CE2-CD1 3.62Å; Y94-I98 HydrophobicContact CE2-CG1 4.49Å; Y94-I98 HydrophobicContact CE2-CG2 4.34Å; Y94-I98 HydrophobicContact CG-CD1 4.47Å; Y94-I98 WeakPolarHBondContact O-CA 3.16Å; Y94-I98 VanDerWaalsContact O-CB 3.28Å; Y94-I98 WeakPolarHBondContact O-CB 3.26Å; Y94-I98 PolarHBondContact O-N 3.27Å
99E71.5Confident76.9Confident37 Ų3768.4 Ų68.417%0.17334%0.341CS..Iπ-helixtrans-71.5-33.8-176.8-151.2168.4168.900111.4R47 Y94 V95 N101 V102R47-E99 IonicContact CZ-OE1 3.06Å; R47-E99 IonicContact NH1-OE1 2.86Å; R47-E99 PolarHBondContact NH1-OE1 3.34Å; R47-E99 IonicContact NH1-OE2 2.84Å; R47-E99 PolarHBondContact NH1-OE2 3.03Å; Y94-E99 PolarHBondContact O-N 2.9Å; V95-E99 HydrophobicContact CG1-CB 4.44Å; V95-E99 VanDerWaalsContact O-CB 3.23Å; V95-E99 WeakPolarHBondContact O-CB 3.23Å; V95-E99 PolarHBondContact O-N 2.84Å; E99-N101 CarbonylContact O-C 3.57Å; E99-N101 PolarHBondContact O-N 2.75Å; E99-V102 WeakPolarHBondContact O-CB 3.46Å; E99-V102 WeakPolarHBondContact O-CG2 3.43Å; E99-V102 PolarHBondContact O-N 3.45Å
100K65.5Low75.4Confident138 Ų13869.4 Ų69.460%0.634%0.34SS*.THydrogen-bonded Turntrans29.242.1170.3-76.8-171.1-179.7-175.10116V95 M96 Y97 V102V95-K100 PolarHBondContact O-N 3.47Å; M96-K100 WeakPolarHBondContact O-CG 3.47Å; Y97-K100 WeakPolarHBondContact O-CD 3.2Å; Y97-K100 VanDerWaalsContact O-CE 3.23Å; Y97-K100 WeakPolarHBondContact O-CE 3.43Å; Y97-K100 WeakPolarHBondContact O-CG 3.49Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 3.22Å
101N65.2Low73.8Confident99 Ų9975.3 Ų75.353%0.52936%0.362SS..THydrogen-bonded Turntrans66.315.5-177.9-53.7-14.4000116.8E99 F103 C123 S124 Y125E99-N101 CarbonylContact O-C 3.57Å; E99-N101 PolarHBondContact O-N 2.75Å; N101-F103 PolarHBondContact O-N 3.26Å; N101-C123 WeakPolarHBondContact O-CA 3.23Å; N101-C123 WeakPolarHBondContact O-CB 3.46Å; N101-S124 PolarHBondContact O-N 3.38Å; N101-S124 VanDerWaalsContact O-N 3.11Å; N101-Y125 WeakPolarHBondContact ND2-CB 3.48Å
102V69.8Low72.3Confident24 Ų2478.2 Ų78.215%0.14538%0.382CS..EExtended strand (participates in β ladder)trans-68.5108.2167.9-177.30000108.2L43 E99 K100 T105 T121 C123L43-V102 HydrophobicContact CD1-CB 3.69Å; L43-V102 HydrophobicContact CD1-CG1 3.42Å; L43-V102 VanDerWaalsContact CD1-CG1 3.42Å; L43-V102 HydrophobicContact CD1-CG2 4.37Å; E99-V102 WeakPolarHBondContact O-CB 3.46Å; E99-V102 WeakPolarHBondContact O-CG2 3.43Å; E99-V102 PolarHBondContact O-N 3.45Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 3.22Å; V102-T105 WeakPolarHBondContact CG1-OG1 3.48Å; V102-T121 HydrophobicContact CB-CG2 4.25Å; V102-T121 HydrophobicContact CG1-CG2 3.5Å; V102-T121 HydrophobicContact CG2-CG2 3.72Å; V102-C123 VanDerWaalsContact CG2-SG 3.52Å
103F73.2Confident71Confident53 Ų5378.7 Ų78.723%0.23240%0.399CS..EExtended strand (participates in β ladder)trans-92.1-23.8174.570.5-89.5000111.8D24 A27 N101 V122 S124 L135D24-F103 HydrophobicContact CB-CD2 3.92Å; D24-F103 HydrophobicContact CB-CE2 4.19Å; D24-F103 HydrophobicContact CB-CG 4.28Å; A27-F103 HydrophobicContact CB-CE2 4.25Å; A27-F103 HydrophobicContact CB-CZ 4.23Å; N101-F103 PolarHBondContact O-N 3.26Å; F103-V122 HydrophobicContact CD1-CB 4.48Å; F103-V122 WeakPolarHBondContact CD1-O 3.28Å; F103-V122 HydrophobicContact CE1-CB 3.7Å; F103-V122 HydrophobicContact CE1-CG1 3.41Å; F103-V122 VanDerWaalsContact CE1-CG1 3.41Å; F103-V122 WeakPolarHBondContact CE1-O 3.44Å; F103-V122 HydrophobicContact CE2-CB 4.29Å; F103-V122 HydrophobicContact CE2-CG1 4.38Å; F103-V122 HydrophobicContact CZ-CB 3.6Å; F103-V122 HydrophobicContact CZ-CG1 3.31Å; F103-V122 PolarHBondContact N-O 2.82Å; F103-V122 VanDerWaalsContact N-O 3.08Å; F103-S124 VanDerWaalsContact CD1-OG 3.24Å; F103-S124 WeakPolarHBondContact CD1-OG 3.42Å; F103-L135 HydrophobicContact CE1-CD1 3.84Å; F103-L135 HydrophobicContact CZ-CD1 4.05Å
104F69.6Low69.6Low7 Ų780.9 Ų80.93%0.03141%0.411CS..EExtended strand (participates in β ladder)trans-142.9134.4-177.9-178.3-110.3000111.3K28 F31 L37 E39 V122K28-F104 HydrophobicContact CD-CD2 4.46Å; K28-F104 HydrophobicContact CG-CD2 3.96Å; K28-F104 HydrophobicContact CG-CE2 4.21Å; F31-F104 HydrophobicContact CB-CE1 3.95Å; L37-F104 HydrophobicContact CB-CZ 4.31Å; L37-F104 HydrophobicContact CD1-CE1 4.45Å; E39-F104 HydrophobicContact CB-CE2 4.12Å; E39-F104 HydrophobicContact CG-CE2 3.8Å; E39-F104 HydrophobicContact CG-CZ 4.45Å; E39-F104 WeakPolarHBondContact OE1-CE2 3.31Å; F104-V122 HydrophobicContact CB-CB 4.28Å; F104-V122 HydrophobicContact CB-CG2 4.46Å; F104-V122 HydrophobicContact CD1-CG2 3.84Å; F104-V122 PolarHBondContact N-O 3.1Å; F104-V122 PolarHBondContact O-N 3.02Å
105T72.8Confident68.5Low24 Ų2482.4 Ų82.415%0.14742%0.421CS..EExtended strand (participates in β ladder)trans-127.9126164.7-55.20000107.1T40 V102 W120T40-T105 HydrophobicContact CG2-CG2 4.43Å; T40-T105 PolarHBondContact N-O 3.01Å; V102-T105 WeakPolarHBondContact CG1-OG1 3.48Å; T105-W120 CarbonylContact C-O 3.58Å; T105-W120 WeakPolarHBondContact CA-O 3.32Å; T105-W120 WeakPolarHBondContact CG2-O 3.24Å
106G72Confident67.7Low0 Ų083.2 Ų83.20%043%0.428CS..EExtended strand (participates in β ladder)trans-122.4142.7176.700000110.4I38 W120I38-G106 CarbonylContact O-C 3.53Å; I38-G106 VanDerWaalsContact O-CA 3.3Å; I38-G106 WeakPolarHBondContact O-CA 3.18Å; G106-W120 PolarHBondContact N-O 3.49Å; G106-W120 PolarHBondContact O-N 2.9Å
107L71Confident67.1Low53 Ų5378.8 Ų78.828%0.27741%0.412SS..EExtended strand (participates in β ladder)trans-100126.3169-71.6163.3000108I38 T40 A117I38-L107 PolarHBondContact N-O 2.98Å; I38-L107 PolarHBondContact O-N 3.47Å; T40-L107 VanDerWaalsContact OG1-CD1 3.27Å; T40-L107 WeakPolarHBondContact OG1-CD1 3.48Å; T40-L107 VanDerWaalsContact OG1-CG 3.31Å; T40-L107 WeakPolarHBondContact OG1-CG 3.32Å; L107-A117 HydrophobicContact CB-CB 4.37Å; L107-A117 HydrophobicContact CD2-CB 4.3Å
108K67.8Low66.9Low70 Ų7073.3 Ų73.330%0.30439%0.393SS..EExtended strand (participates in β ladder)trans-93.899.2171.3-170.2-179.5179.2-171.10107.3L37 D110 A117 D118 W120L37-K108 HydrophobicContact CD2-CB 3.88Å; K108-D110 PolarHBondContact O-N 3.21Å; K108-A117 WeakPolarHBondContact O-CA 3.3Å; K108-A117 WeakPolarHBondContact O-CB 3.44Å; K108-D118 HydrophobicContact CB-CB 4.4Å; K108-D118 PolarHBondContact N-O 3.36Å; K108-D118 PolarHBondContact O-N 2.98Å; K108-W120 HydrophobicContact CD-CZ2 4.43Å
109E63.2Low67.2Low134 Ų13470.7 Ų70.763%0.62638%0.382SS*.  trans-65.1126.3170.9-65.6-169.9134.700108.8I38I38-E109 VanDerWaalsContact CD1-CD 3.45Å; I38-E109 HydrophobicContact CD1-CG 3.89Å; I38-E109 WeakPolarHBondContact CD1-OE2 3.31Å
110D60.2Low67.7Low69 Ų6969 Ų6937%0.36937%0.374SS..  trans-69.2136.2170.9-175.734.6000109.3K108 T112 G113K108-D110 PolarHBondContact O-N 3.21Å; D110-T112 PolarHBondContact O-N 2.83Å; D110-T112 VanDerWaalsContact OD2-CB 3.29Å; D110-T112 WeakPolarHBondContact OD2-CB 3.42Å; D110-T112 PolarHBondContact OD2-OG1 3.46Å; D110-G113 PolarHBondContact O-N 2.85Å
111K57.7Low68.5Low213 Ų21363.7 Ų63.793%0.92635%0.354SS*.THydrogen-bonded Turntrans-61.1-15.9-176.7-69-177.2177179.50112.8
112T57.1Low69.4Low100 Ų10059 Ų5961%0.61333%0.328SS*.THydrogen-bonded Turntrans-90.9-14.4-178.2-28.40000112.7D110 L114D110-T112 PolarHBondContact O-N 2.83Å; D110-T112 VanDerWaalsContact OD2-CB 3.29Å; D110-T112 WeakPolarHBondContact OD2-CB 3.42Å; D110-T112 PolarHBondContact OD2-OG1 3.46Å; T112-L114 HydrophobicContact CG2-CB 4.38Å; T112-L114 PolarHBondContact O-N 3.22Å
113G61.9Low70.1Confident71 Ų7159 Ų5973%0.73233%0.329SS*.SBendtrans616.8-177.300000115.1D110D110-G113 PolarHBondContact O-N 2.85Å
114L59.8Low70.7Confident144 Ų14456.5 Ų56.575%0.75432%0.318SS*.SBendtrans-91.2-30-173.4-14882.3000111.9T112T112-L114 HydrophobicContact CG2-CB 4.38Å; T112-L114 PolarHBondContact O-N 3.22Å
115D62.7Low71.4Confident70 Ų7060.8 Ų60.837%0.37434%0.335SS..SBendtrans-109.3141.3-174.9-69.7-39.5000111.5A117 I143D115-A117 PolarHBondContact O-N 3.43Å; D115-I143 HydrophobicContact CB-CD1 3.65Å; D115-I143 HydrophobicContact CB-CG1 3.79Å; D115-I143 WeakPolarHBondContact OD2-CD1 3.45Å
116P65.7Low72Confident72 Ų7260.9 Ų60.947%0.46833%0.334SS..PPolyproline II helixtrans-55.3133.117423.2-35.2000111D118 G142 I143P116-D118 PolarHBondContact O-N 2.86Å; P116-G142 WeakPolarHBondContact CG-O 3.35Å; P116-I143 HydrophobicContact CG-CG1 4.16Å
117A69.8Low72.5Confident35 Ų3565 Ų6529%0.28936%0.356SS..PPolyproline II helixtrans-57.7133.8-177.600000112.1L107 K108 D115 S119L107-A117 HydrophobicContact CB-CB 4.37Å; L107-A117 HydrophobicContact CD2-CB 4.3Å; K108-A117 WeakPolarHBondContact O-CA 3.3Å; K108-A117 WeakPolarHBondContact O-CB 3.44Å; D115-A117 PolarHBondContact O-N 3.43Å; A117-S119 PolarHBondContact O-N 2.76Å
118D75.4Confident72.6Confident39 Ų3970.5 Ų70.521%0.20938%0.378CS..EExtended strand (participates in β ladder)trans-69127.2173.7-70.6-16.2000109.2K108 P116 C140 D141 G142K108-D118 HydrophobicContact CB-CB 4.4Å; K108-D118 PolarHBondContact N-O 3.36Å; K108-D118 PolarHBondContact O-N 2.98Å; P116-D118 PolarHBondContact O-N 2.86Å; D118-C140 WeakPolarHBondContact CA-O 3.37Å; D118-D141 VanDerWaalsContact OD1-CA 3.29Å; D118-D141 WeakPolarHBondContact OD1-CA 3.23Å; D118-G142 PolarHBondContact OD1-N 3.17Å
119S79.4Confident73.1Confident33 Ų3377.7 Ų77.723%0.23141%0.405CS..EExtended strand (participates in β ladder)trans-92.2122.2175.169.70000110.2A117 C140A117-S119 PolarHBondContact O-N 2.76Å; S119-C140 PolarHBondContact N-O 2.95Å; S119-C140 PolarHBondContact O-N 3.46Å; S119-C140 WeakPolarHBondContact OG-CB 3.5Å
120W82.4Confident74Confident0 Ų073.7 Ų73.70%039%0.388CS..EExtended strand (participates in β ladder)trans-103.2128.4174.5-70.446.7000108.5F31 H35 L37 T105 G106 K108 L137 T138 V139 V179 Y183F31-W120 HydrophobicContact CD1-CE3 4.49Å; F31-W120 HydrophobicContact CD1-CZ3 4.29Å; F31-W120 HydrophobicContact CE1-CE3 4.48Å; F31-W120 HydrophobicContact CE1-CZ3 4.14Å; H35-W120 AromaticContact CE1-CH2 3.99Å; L37-W120 HydrophobicContact CD1-CD2 4.26Å; L37-W120 HydrophobicContact CD1-CE3 4.07Å; L37-W120 HydrophobicContact CD2-CB 3.86Å; L37-W120 HydrophobicContact CD2-CD2 4.05Å; L37-W120 HydrophobicContact CD2-CG 3.67Å; T105-W120 CarbonylContact C-O 3.58Å; T105-W120 WeakPolarHBondContact CA-O 3.32Å; T105-W120 WeakPolarHBondContact CG2-O 3.24Å; G106-W120 PolarHBondContact N-O 3.49Å; G106-W120 PolarHBondContact O-N 2.9Å; K108-W120 HydrophobicContact CD-CZ2 4.43Å; W120-L137 HydrophobicContact CE3-CD1 3.87Å; W120-L137 HydrophobicContact CZ3-CD1 4.41Å; W120-L137 HydrophobicContact CZ3-CD2 4.33Å; W120-T138 CarbonylContact C-O 3.59Å; W120-T138 WeakPolarHBondContact CA-O 3.29Å; W120-V139 HydrophobicContact CD2-CG2 3.67Å; W120-V139 HydrophobicContact CE3-CG2 4.08Å; W120-V139 HydrophobicContact CG-CG1 4.4Å; W120-V139 HydrophobicContact CG-CG2 3.9Å; W120-V139 HydrophobicContact CZ2-CG2 4.49Å; W120-V179 HydrophobicContact CH2-CG1 3.67Å; W120-V179 HydrophobicContact CH2-CG2 4.25Å; W120-V179 HydrophobicContact CZ3-CG1 4.11Å; W120-V179 HydrophobicContact CZ3-CG2 3.83Å; W120-Y183 AromaticContact CH2-CE2 3.94Å; W120-Y183 HydrophobicContact CH2-CE2 3.94Å; W120-Y183 AromaticContact CZ2-CE2 3.89Å; W120-Y183 HydrophobicContact CZ2-CE2 3.89Å; W120-Y183 AromaticContact CZ2-CZ 3.89Å; W120-Y183 WeakPolarHBondContact CZ2-OH 3.31Å
121T82.4Confident75Confident27 Ų2773.8 Ų73.817%0.16639%0.392CS..EExtended strand (participates in β ladder)trans-124.6119.1179.7-56.90000107.3V102 T138V102-T121 HydrophobicContact CB-CG2 4.25Å; V102-T121 HydrophobicContact CG1-CG2 3.5Å; V102-T121 HydrophobicContact CG2-CG2 3.72Å; T121-T138 PolarHBondContact N-O 2.97Å; T121-T138 WeakPolarHBondContact O-CA 3.46Å; T121-T138 PolarHBondContact O-N 3.34Å
122V83.7Confident76.5Confident0 Ų066.3 Ų66.30%036%0.361CS..EExtended strand (participates in β ladder)trans-112125.4179-157.20000108.4F31 F103 F104 L135 S136 L137F31-V122 HydrophobicContact CD2-CG2 4.18Å; F31-V122 HydrophobicContact CE2-CG1 4.15Å; F31-V122 HydrophobicContact CE2-CG2 3.91Å; F31-V122 HydrophobicContact CZ-CG2 4.35Å; F103-V122 HydrophobicContact CD1-CB 4.48Å; F103-V122 WeakPolarHBondContact CD1-O 3.28Å; F103-V122 HydrophobicContact CE1-CB 3.7Å; F103-V122 HydrophobicContact CE1-CG1 3.41Å; F103-V122 VanDerWaalsContact CE1-CG1 3.41Å; F103-V122 WeakPolarHBondContact CE1-O 3.44Å; F103-V122 HydrophobicContact CE2-CB 4.29Å; F103-V122 HydrophobicContact CE2-CG1 4.38Å; F103-V122 HydrophobicContact CZ-CB 3.6Å; F103-V122 HydrophobicContact CZ-CG1 3.31Å; F103-V122 PolarHBondContact N-O 2.82Å; F103-V122 VanDerWaalsContact N-O 3.08Å; F104-V122 HydrophobicContact CB-CB 4.28Å; F104-V122 HydrophobicContact CB-CG2 4.46Å; F104-V122 HydrophobicContact CD1-CG2 3.84Å; F104-V122 PolarHBondContact N-O 3.1Å; F104-V122 PolarHBondContact O-N 3.02Å; V122-L135 HydrophobicContact CG1-CD1 3.61Å; V122-L135 HydrophobicContact CG1-CG 4.44Å; V122-S136 WeakPolarHBondContact CA-O 3.28Å; V122-L137 HydrophobicContact CG2-CD1 3.73Å
123C84Confident77.9Confident25 Ų2561.6 Ų61.617%0.16933%0.332CS..EExtended strand (participates in β ladder)trans-116.4139.7179-52.20000109.3N101 V102 S136N101-C123 WeakPolarHBondContact O-CA 3.23Å; N101-C123 WeakPolarHBondContact O-CB 3.46Å; V102-C123 VanDerWaalsContact CG2-SG 3.52Å; C123-S136 PolarHBondContact N-O 2.89Å; C123-S136 PolarHBondContact O-N 3.3Å
124S86.3Confident79.1Confident0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-138.7141.5175.969.40000110.8K20 D24 N101 F103 Y133 H134K20-S124 VanDerWaalsContact CE-O 3.29Å; K20-S124 WeakPolarHBondContact CE-O 3.3Å; K20-S124 PolarHBondContact NZ-OG 3.35Å; D24-S124 VanDerWaalsContact OD1-CB 3.23Å; D24-S124 WeakPolarHBondContact OD1-CB 3.42Å; D24-S124 PolarHBondContact OD1-OG 3.47Å; D24-S124 PolarHBondContact OD2-OG 3.43Å; N101-S124 PolarHBondContact O-N 3.38Å; N101-S124 VanDerWaalsContact O-N 3.11Å; F103-S124 VanDerWaalsContact CD1-OG 3.24Å; F103-S124 WeakPolarHBondContact CD1-OG 3.42Å; S124-Y133 VanDerWaalsContact CB-OH 3.26Å; S124-Y133 WeakPolarHBondContact CB-OH 3.23Å; S124-H134 CarbonylContact C-O 3.58Å; S124-H134 VanDerWaalsContact CA-O 3.23Å; S124-H134 WeakPolarHBondContact CA-O 3.23Å
125Y84.3Confident80.4Confident98 Ų9852.3 Ų52.338%0.38427%0.266SS..EExtended strand (participates in β ladder)trans-144.3149.8171.173.8-91.3000111.3N101 H134N101-Y125 WeakPolarHBondContact ND2-CB 3.48Å; Y125-H134 HydrophobicContact CD1-CB 3.59Å; Y125-H134 HydrophobicContact CD2-CB 4.05Å; Y125-H134 AromaticContact CD2-CD2 3.67Å; Y125-H134 HydrophobicContact CE1-CB 3.24Å; Y125-H134 AromaticContact CE1-CG 3.71Å; Y125-H134 HydrophobicContact CE2-CB 3.72Å; Y125-H134 AromaticContact CE2-CD2 3.1Å; Y125-H134 WeakPolarHBondContact CE2-CD2 3.3Å; Y125-H134 AromaticContact CE2-CG 3.34Å; Y125-H134 AromaticContact CE2-ND1 3.89Å; Y125-H134 AromaticContact CE2-NE2 3.55Å; Y125-H134 HydrophobicContact CG-CB 3.99Å; Y125-H134 AromaticContact CZ-CD2 3.49Å; Y125-H134 VanDerWaalsContact CZ-CD2 3.49Å; Y125-H134 AromaticContact CZ-CE1 3.95Å; Y125-H134 AromaticContact CZ-CG 3.15Å; Y125-H134 AromaticContact CZ-ND1 3.47Å; Y125-H134 AromaticContact CZ-NE2 3.95Å; Y125-H134 PolarHBondContact N-O 2.98Å; Y125-H134 PolarHBondContact O-N 2.96Å; Y125-H134 PolarHBondContact OH-CE1 2.99Å; Y125-H134 VanDerWaalsContact OH-CG 3.25Å; Y125-H134 PolarHBondContact OH-ND1 3.3Å
126M84.4Confident81.5Confident25 Ų2550.1 Ų50.112%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-145.7130.6176.1-169.6157.181.700107.8T16 L19 K20 D130 I132 Y133 A156T16-M126 VanDerWaalsContact C-CE 3.46Å; T16-M126 VanDerWaalsContact CA-CE 3.49Å; T16-M126 HydrophobicContact CG2-CE 4.17Å; T16-M126 WeakPolarHBondContact O-CE 3.34Å; L19-M126 HydrophobicContact CB-CE 3.96Å; K20-M126 HydrophobicContact CB-CB 4.49Å; K20-M126 HydrophobicContact CB-CE 4.01Å; K20-M126 HydrophobicContact CD-CB 4.39Å; M126-D130 WeakPolarHBondContact CG-O 3.4Å; M126-I132 WeakPolarHBondContact CG-O 3.19Å; M126-Y133 HydrophobicContact SD-CD2 4.42Å; M126-A156 HydrophobicContact SD-CB 4.05Å
127N82.9Confident82.4Confident86 Ų8646.7 Ų46.746%0.4623%0.234SC..  trans-75.6152.4-179-65.6-42.6000110.4Y129 D130N127-Y129 PolarHBondContact O-N 3.01Å; N127-D130 HydrophobicContact CB-CB 3.71Å; N127-D130 PolarHBondContact O-N 3.22Å; N127-D130 VanDerWaalsContact O-N 3.17Å
128K74.3Confident83.1Confident170 Ų17046 Ų4674%0.73923%0.226SC*.THydrogen-bonded Turntrans-59.7-17.3-172.5-69.6-176.3178.5-1790114.9T16T16-K128 PolarHBondContact OG1-O 2.99Å
129Y77.9Confident83.4Confident220 Ų22044.5 Ų44.586%0.86322%0.219SC*.THydrogen-bonded Turntrans-134.411.8-179.2-53-69.2000113N127N127-Y129 PolarHBondContact O-N 3.01Å
130D82.3Confident83.5Confident51 Ų5144.4 Ų44.427%0.27322%0.218SC..  trans-114.7123-179.8-160-18.4000108.6M126 N127 I132M126-D130 WeakPolarHBondContact CG-O 3.4Å; N127-D130 HydrophobicContact CB-CB 3.71Å; N127-D130 PolarHBondContact O-N 3.22Å; N127-D130 VanDerWaalsContact O-N 3.17Å; D130-I132 PolarHBondContact O-N 2.99Å; D130-I132 WeakPolarHBondContact OD1-CD1 3.41Å; D130-I132 VanDerWaalsContact OD1-CG1 3.23Å; D130-I132 WeakPolarHBondContact OD1-CG1 3.1Å; D130-I132 PolarHBondContact OD1-N 2.94Å
131P81.7Confident83.3Confident70 Ų7045.6 Ų45.646%0.45522%0.224SC..  trans-72.80.2176.731.1-36.9000113.3Y133 A156P131-Y133 PolarHBondContact O-N 3.24Å; P131-A156 WeakPolarHBondContact O-CB 3.3Å; P131-A156 PolarHBondContact O-N 3.14Å
132I87.5Confident82.7Confident56 Ų5645.3 Ų45.329%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-77.2115.7179.5-59.2168.8000110.4M126 D130 H134 E153M126-I132 WeakPolarHBondContact CG-O 3.19Å; D130-I132 PolarHBondContact O-N 2.99Å; D130-I132 WeakPolarHBondContact OD1-CD1 3.41Å; D130-I132 VanDerWaalsContact OD1-CG1 3.23Å; D130-I132 WeakPolarHBondContact OD1-CG1 3.1Å; D130-I132 PolarHBondContact OD1-N 2.94Å; I132-H134 PolarHBondContact O-CD2 2.62Å; I132-E153 HydrophobicContact CG2-CB 4.01Å
133Y86.5Confident82.1Confident1 Ų150 Ų500%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-88.5115.2170.7-176.2-105.4000109.4K20 L23 D24 S124 M126 P131 L135 K154K20-Y133 HydrophobicContact CG-CE2 4.24Å; L23-Y133 HydrophobicContact CB-CE2 4.03Å; L23-Y133 HydrophobicContact CD1-CD1 4.31Å; L23-Y133 HydrophobicContact CD1-CD2 3.76Å; L23-Y133 HydrophobicContact CD1-CE2 4.05Å; L23-Y133 HydrophobicContact CD1-CG 3.89Å; D24-Y133 PolarHBondContact OD1-OH 3.43Å; S124-Y133 VanDerWaalsContact CB-OH 3.26Å; S124-Y133 WeakPolarHBondContact CB-OH 3.23Å; M126-Y133 HydrophobicContact SD-CD2 4.42Å; P131-Y133 PolarHBondContact O-N 3.24Å; Y133-L135 HydrophobicContact CD1-CB 4.19Å; Y133-L135 HydrophobicContact CE1-CB 3.75Å; Y133-L135 HydrophobicContact CE1-CD1 4.01Å; Y133-L135 HydrophobicContact CE1-CD2 4.35Å; Y133-L135 HydrophobicContact CE1-CG 4.26Å; Y133-K154 WeakPolarHBondContact CA-O 3.37Å; Y133-K154 WeakPolarHBondContact CB-O 3.38Å; Y133-K154 PolarHBondContact N-O 3.24Å; Y133-K154 PolarHBondContact O-N 3.47Å
134H87.8Confident81.7Confident19 Ų1952.1 Ų52.19%0.08826%0.263CS..EExtended strand (participates in β ladder)trans-97.3119.5174.8-58.8-102000108.7S124 Y125 I132 E153S124-H134 CarbonylContact C-O 3.58Å; S124-H134 VanDerWaalsContact CA-O 3.23Å; S124-H134 WeakPolarHBondContact CA-O 3.23Å; Y125-H134 HydrophobicContact CD1-CB 3.59Å; Y125-H134 HydrophobicContact CD2-CB 4.05Å; Y125-H134 AromaticContact CD2-CD2 3.67Å; Y125-H134 HydrophobicContact CE1-CB 3.24Å; Y125-H134 AromaticContact CE1-CG 3.71Å; Y125-H134 HydrophobicContact CE2-CB 3.72Å; Y125-H134 AromaticContact CE2-CD2 3.1Å; Y125-H134 WeakPolarHBondContact CE2-CD2 3.3Å; Y125-H134 AromaticContact CE2-CG 3.34Å; Y125-H134 AromaticContact CE2-ND1 3.89Å; Y125-H134 AromaticContact CE2-NE2 3.55Å; Y125-H134 HydrophobicContact CG-CB 3.99Å; Y125-H134 AromaticContact CZ-CD2 3.49Å; Y125-H134 VanDerWaalsContact CZ-CD2 3.49Å; Y125-H134 AromaticContact CZ-CE1 3.95Å; Y125-H134 AromaticContact CZ-CG 3.15Å; Y125-H134 AromaticContact CZ-ND1 3.47Å; Y125-H134 AromaticContact CZ-NE2 3.95Å; Y125-H134 PolarHBondContact N-O 2.98Å; Y125-H134 PolarHBondContact O-N 2.96Å; Y125-H134 PolarHBondContact OH-CE1 2.99Å; Y125-H134 VanDerWaalsContact OH-CG 3.25Å; Y125-H134 PolarHBondContact OH-ND1 3.3Å; I132-H134 PolarHBondContact O-CD2 2.62Å; H134-E153 IonicContact CE1-OE1 3.02Å; H134-E153 PolarHBondContact CE1-OE1 3.27Å; H134-E153 IonicContact CE1-OE2 3.35Å; H134-E153 VanDerWaalsContact ND1-CG 3.32Å; H134-E153 WeakPolarHBondContact ND1-CG 3.32Å; H134-E153 IonicContact ND1-OE1 3.94Å; H134-E153 PolarHBondContact ND1-OE1 2.8Å; H134-E153 IonicContact ND1-OE2 3.33Å
135L87.2Confident81.1Confident2 Ų260.7 Ų60.71%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-117.3126.2178.4-175.367000109.1F103 V122 Y133 S151 V152 F174 L175 L178F103-L135 HydrophobicContact CE1-CD1 3.84Å; F103-L135 HydrophobicContact CZ-CD1 4.05Å; V122-L135 HydrophobicContact CG1-CD1 3.61Å; V122-L135 HydrophobicContact CG1-CG 4.44Å; Y133-L135 HydrophobicContact CD1-CB 4.19Å; Y133-L135 HydrophobicContact CE1-CB 3.75Å; Y133-L135 HydrophobicContact CE1-CD1 4.01Å; Y133-L135 HydrophobicContact CE1-CD2 4.35Å; Y133-L135 HydrophobicContact CE1-CG 4.26Å; L135-S151 CarbonylContact O-C 3.41Å; L135-S151 WeakPolarHBondContact O-CA 3.44Å; L135-V152 PolarHBondContact N-O 2.86Å; L135-V152 PolarHBondContact O-N 3.45Å; L135-F174 HydrophobicContact CD2-CE1 4.07Å; L135-L175 HydrophobicContact CD2-CD2 3.46Å; L135-L175 VanDerWaalsContact CD2-CD2 3.46Å; L135-L178 HydrophobicContact CD2-CD2 3.67Å; L135-L178 HydrophobicContact CG-CD2 4.27Å
136S85.4Confident80.8Confident23 Ų2362 Ų6216%0.16131%0.308CS..EExtended strand (participates in β ladder)trans-120.9120.2175.6-166.40000109.8V122 C123 T149 L150 S151V122-S136 WeakPolarHBondContact CA-O 3.28Å; C123-S136 PolarHBondContact N-O 2.89Å; C123-S136 PolarHBondContact O-N 3.3Å; S136-T149 VanDerWaalsContact OG-CG2 3.26Å; S136-T149 WeakPolarHBondContact OG-CG2 3.3Å; S136-L150 CarbonylContact C-O 3.56Å; S136-L150 WeakPolarHBondContact CA-O 3.49Å; S136-S151 WeakPolarHBondContact CB-OG 3.5Å; S136-S151 PolarHBondContact OG-OG 3.46Å
137L85.5Confident80.7Confident0 Ų065.3 Ų65.30%033%0.329CS..EExtended strand (participates in β ladder)trans-103.2117.2175175.464.1000108.4W120 V122 V139 T149 L150 L178 V179 L182W120-L137 HydrophobicContact CE3-CD1 3.87Å; W120-L137 HydrophobicContact CZ3-CD1 4.41Å; W120-L137 HydrophobicContact CZ3-CD2 4.33Å; V122-L137 HydrophobicContact CG2-CD1 3.73Å; L137-V139 HydrophobicContact CD1-CG2 4.31Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; L137-T149 CarbonylContact O-C 3.51Å; L137-T149 WeakPolarHBondContact O-CA 3.28Å; L137-L150 PolarHBondContact N-O 2.84Å; L137-L150 PolarHBondContact O-N 2.85Å; L137-L178 HydrophobicContact CB-CD2 4.15Å; L137-V179 HydrophobicContact CD2-CG2 3.85Å; L137-L182 HydrophobicContact CD2-CD1 4.28Å; L137-L182 HydrophobicContact CD2-CD2 4.32Å; L137-L182 HydrophobicContact CG-CD1 4.2Å; L137-L182 WeakPolarHBondContact O-CD1 3.21Å
138T83.8Confident80.7Confident21 Ų2164.1 Ų64.113%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-109.9124.4173.4-61.40000110.1W120 T121 V147 R148 T149W120-T138 CarbonylContact C-O 3.59Å; W120-T138 WeakPolarHBondContact CA-O 3.29Å; T121-T138 PolarHBondContact N-O 2.97Å; T121-T138 WeakPolarHBondContact O-CA 3.46Å; T121-T138 PolarHBondContact O-N 3.34Å; T138-V147 HydrophobicContact CG2-CG1 3.48Å; T138-V147 VanDerWaalsContact CG2-CG1 3.48Å; T138-R148 CarbonylContact C-O 3.55Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; T138-T149 WeakPolarHBondContact CG2-OG1 3.21Å; T138-T149 VanDerWaalsContact OG1-CG2 3.32Å; T138-T149 WeakPolarHBondContact OG1-CG2 3.46Å; T138-T149 PolarHBondContact OG1-OG1 2.92Å
139V82.7Confident81.2Confident8 Ų859.6 Ų59.65%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-117.4122173.5-179.90000108.6W120 L137 R148 L182W120-V139 HydrophobicContact CD2-CG2 3.67Å; W120-V139 HydrophobicContact CE3-CG2 4.08Å; W120-V139 HydrophobicContact CG-CG1 4.4Å; W120-V139 HydrophobicContact CG-CG2 3.9Å; W120-V139 HydrophobicContact CZ2-CG2 4.49Å; L137-V139 HydrophobicContact CD1-CG2 4.31Å; L137-V139 HydrophobicContact CG-CG2 4.26Å; V139-R148 PolarHBondContact N-O 2.85Å; V139-R148 PolarHBondContact O-N 3.4Å; V139-L182 HydrophobicContact CB-CD2 3.84Å; V139-L182 HydrophobicContact CG2-CD2 3.38Å
140C80.8Confident81.6Confident31 Ų3150.8 Ų50.821%0.20927%0.272CS..EExtended strand (participates in β ladder)trans-101.5115.7170.3-48.90000108.1D118 S119 G142 K146 V147D118-C140 WeakPolarHBondContact CA-O 3.37Å; S119-C140 PolarHBondContact N-O 2.95Å; S119-C140 PolarHBondContact O-N 3.46Å; S119-C140 WeakPolarHBondContact OG-CB 3.5Å; C140-G142 PolarHBondContact O-N 3.2Å; C140-K146 WeakPolarHBondContact CA-O 3.28Å; C140-V147 HydrophobicContact CB-CG2 4.37Å
141D77.6Confident81.8Confident25 Ų2552.2 Ų52.213%0.13429%0.286CS..  trans-69.1125173.9179.6-37.5000109.2D118 I143 T144 K145 K146D118-D141 VanDerWaalsContact OD1-CA 3.29Å; D118-D141 WeakPolarHBondContact OD1-CA 3.23Å; D141-I143 VanDerWaalsContact C-N 3.28Å; D141-I143 PolarHBondContact O-N 2.99Å; D141-I143 WeakPolarHBondContact OD1-CA 3.41Å; D141-I143 WeakPolarHBondContact OD1-CB 2.77Å; D141-I143 PolarHBondContact OD1-N 3.45Å; D141-T144 VanDerWaalsContact CB-OG1 3.3Å; D141-T144 WeakPolarHBondContact CB-OG1 3.35Å; D141-T144 PolarHBondContact OD1-N 2.91Å; D141-T144 PolarHBondContact OD1-OG1 3.25Å; D141-T144 PolarHBondContact OD2-OG1 3.29Å; D141-K145 WeakPolarHBondContact O-CA 3.25Å; D141-K145 PolarHBondContact O-N 3.43Å; D141-K146 PolarHBondContact N-O 3.18Å
142G70.6Confident82.2Confident21 Ų2150.6 Ų50.622%0.21628%0.275CS..THydrogen-bonded Turntrans-65.2-33.1-176.200000112.8P116 D118 C140P116-G142 WeakPolarHBondContact CG-O 3.35Å; D118-G142 PolarHBondContact OD1-N 3.17Å; C140-G142 PolarHBondContact O-N 3.2Å
143I70.6Confident82.2Confident98 Ų9853.7 Ų53.750%0.50329%0.288SS..THydrogen-bonded Turntrans-81.7-53-175.1-53.7169.1000109.2D115 P116 D141D115-I143 HydrophobicContact CB-CD1 3.65Å; D115-I143 HydrophobicContact CB-CG1 3.79Å; D115-I143 WeakPolarHBondContact OD2-CD1 3.45Å; P116-I143 HydrophobicContact CG-CG1 4.16Å; D141-I143 VanDerWaalsContact C-N 3.28Å; D141-I143 PolarHBondContact O-N 2.99Å; D141-I143 WeakPolarHBondContact OD1-CA 3.41Å; D141-I143 WeakPolarHBondContact OD1-CB 2.77Å; D141-I143 PolarHBondContact OD1-N 3.45Å
144T74.7Confident82.2Confident70 Ų7057.3 Ų57.343%0.42930%0.304SS..THydrogen-bonded Turntrans-86.9-10.4-172.965.60000112.9D141 K146D141-T144 VanDerWaalsContact CB-OG1 3.3Å; D141-T144 WeakPolarHBondContact CB-OG1 3.35Å; D141-T144 PolarHBondContact OD1-N 2.91Å; D141-T144 PolarHBondContact OD1-OG1 3.25Å; D141-T144 PolarHBondContact OD2-OG1 3.29Å; T144-K146 PolarHBondContact O-N 3.39Å; T144-K146 WeakPolarHBondContact OG1-CB 3.34Å; T144-K146 WeakPolarHBondContact OG1-CG 3.39Å; T144-K146 PolarHBondContact OG1-N 2.92Å
145K75.1Confident82.1Confident179 Ų17958 Ų5878%0.77831%0.311SS*.  trans51.317.8-170-62.5-174.8178.6-179.50113.2D141 V147D141-K145 WeakPolarHBondContact O-CA 3.25Å; D141-K145 PolarHBondContact O-N 3.43Å; K145-V147 PolarHBondContact O-N 3.44Å
146K78.2Confident81.9Confident127 Ų12758 Ų5855%0.55231%0.311SS*.  trans-76.1120.2178.3-72.1-176.2177.6-174.30107.8C140 D141 T144C140-K146 WeakPolarHBondContact CA-O 3.28Å; D141-K146 PolarHBondContact N-O 3.18Å; T144-K146 PolarHBondContact O-N 3.39Å; T144-K146 WeakPolarHBondContact OG1-CB 3.34Å; T144-K146 WeakPolarHBondContact OG1-CG 3.39Å; T144-K146 PolarHBondContact OG1-N 2.92Å
147V82Confident81.8Confident93 Ų9360.1 Ų60.156%0.56433%0.33SS*.EExtended strand (participates in β ladder)trans-89.5129.3173.5-174.90000107.8T138 C140 K145T138-V147 HydrophobicContact CG2-CG1 3.48Å; T138-V147 VanDerWaalsContact CG2-CG1 3.48Å; C140-V147 HydrophobicContact CB-CG2 4.37Å; K145-V147 PolarHBondContact O-N 3.44Å
148R82.7Confident81.7Confident61 Ų6164.8 Ų64.823%0.2335%0.352CS..EExtended strand (participates in β ladder)trans-125.7132.3176.1-62.2178.2-179.5-153.3-9108.6T138 V139 L182T138-R148 CarbonylContact C-O 3.55Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; V139-R148 PolarHBondContact N-O 2.85Å; V139-R148 PolarHBondContact O-N 3.4Å; R148-L182 HydrophobicContact CB-CD1 4.42Å
149T84.4Confident81.7Confident75 Ų7564.1 Ų64.146%0.4635%0.347SS..EExtended strand (participates in β ladder)trans-130.1121.4-177.4-59.70000108.9S136 L137 T138S136-T149 VanDerWaalsContact OG-CG2 3.26Å; S136-T149 WeakPolarHBondContact OG-CG2 3.3Å; L137-T149 CarbonylContact O-C 3.51Å; L137-T149 WeakPolarHBondContact O-CA 3.28Å; T138-T149 WeakPolarHBondContact CG2-OG1 3.21Å; T138-T149 VanDerWaalsContact OG1-CG2 3.32Å; T138-T149 WeakPolarHBondContact OG1-CG2 3.46Å; T138-T149 PolarHBondContact OG1-OG1 2.92Å
150L87.5Confident81.8Confident36 Ų3664.7 Ų64.719%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-113.8125.4172.2-17964000108.7S136 L137 V152 L178 D181 L182S136-L150 CarbonylContact C-O 3.56Å; S136-L150 WeakPolarHBondContact CA-O 3.49Å; L137-L150 PolarHBondContact N-O 2.84Å; L137-L150 PolarHBondContact O-N 2.85Å; L150-V152 HydrophobicContact CG-CG2 4.41Å; L150-L178 HydrophobicContact CD2-CD1 3.53Å; L150-L178 HydrophobicContact CD2-CG 4.06Å; L150-L178 WeakPolarHBondContact CD2-O 3.34Å; L150-L178 HydrophobicContact CG-CD1 3.89Å; L150-D181 HydrophobicContact CD2-CB 3.84Å; L150-L182 HydrophobicContact CB-CB 4.36Å; L150-L182 HydrophobicContact CB-CD1 3.64Å; L150-L182 HydrophobicContact CD2-CB 4.1Å
151S86.3Confident81.9Confident80 Ų8065.2 Ų65.256%0.55935%0.35SS*.EExtended strand (participates in β ladder)trans-115.4131.4178.7-62.40000109.9L135 S136L135-S151 CarbonylContact O-C 3.41Å; L135-S151 WeakPolarHBondContact O-CA 3.44Å; S136-S151 WeakPolarHBondContact CB-OG 3.5Å; S136-S151 PolarHBondContact OG-OG 3.46Å
152V88.6Confident82.1Confident37 Ų3771.4 Ų71.422%0.22438%0.381CS..EExtended strand (participates in β ladder)trans-132.5141.7178.5176.50000110L135 L150 K154 F174 L178L135-V152 PolarHBondContact N-O 2.86Å; L135-V152 PolarHBondContact O-N 3.45Å; L150-V152 HydrophobicContact CG-CG2 4.41Å; V152-K154 HydrophobicContact CG1-CG 4.08Å; V152-F174 HydrophobicContact CB-CZ 4.2Å; V152-F174 HydrophobicContact CG1-CE2 3.74Å; V152-F174 HydrophobicContact CG1-CZ 3.61Å; V152-L178 HydrophobicContact CB-CD1 3.86Å; V152-L178 HydrophobicContact CG2-CD1 3.21Å
153E88.2Confident82.4Confident121 Ų12178 Ų7857%0.56540%0.404SS*.EExtended strand (participates in β ladder)trans-114.6124.8179.5-48.1-170.3156.900108.4I132 H134I132-E153 HydrophobicContact CG2-CB 4.01Å; H134-E153 IonicContact CE1-OE1 3.02Å; H134-E153 PolarHBondContact CE1-OE1 3.27Å; H134-E153 IonicContact CE1-OE2 3.35Å; H134-E153 VanDerWaalsContact ND1-CG 3.32Å; H134-E153 WeakPolarHBondContact ND1-CG 3.32Å; H134-E153 IonicContact ND1-OE1 3.94Å; H134-E153 PolarHBondContact ND1-OE1 2.8Å; H134-E153 IonicContact ND1-OE2 3.33Å
154K86.9Confident82.7Confident76 Ų7673.4 Ų73.433%0.3338%0.38SS..EExtended strand (participates in β ladder)trans-138.9146.9177.8-75-67178.1175.40110.7Y133 V152 A156 E158 F159 F174Y133-K154 WeakPolarHBondContact CA-O 3.37Å; Y133-K154 WeakPolarHBondContact CB-O 3.38Å; Y133-K154 PolarHBondContact N-O 3.24Å; Y133-K154 PolarHBondContact O-N 3.47Å; V152-K154 HydrophobicContact CG1-CG 4.08Å; K154-A156 PolarHBondContact O-N 2.87Å; K154-E158 IonicContact NZ-OE2 3.1Å; K154-F159 HydrophobicContact CB-CE2 3.95Å; K154-F159 HydrophobicContact CB-CZ 4.1Å; K154-F159 HydrophobicContact CG-CZ 4.37Å; K154-F174 HydrophobicContact CD-CE2 4.39Å; K154-F174 HydrophobicContact CG-CD2 4.38Å; K154-F174 HydrophobicContact CG-CE2 3.6Å; K154-F174 HydrophobicContact CG-CZ 3.74Å
155S85.2Confident83Confident35 Ų3572 Ų7225%0.24537%0.369CS..EExtended strand (participates in β ladder)trans-69.7126.5172.7-177.40000109.1A157 E158S155-A157 PolarHBondContact O-N 3.25Å; S155-A157 VanDerWaalsContact O-N 3.13Å; S155-E158 WeakPolarHBondContact O-CB 3.36Å; S155-E158 PolarHBondContact O-N 3.4Å
156A83.3Confident83.5Confident1 Ų164 Ų641%0.00834%0.335CS..G310 helixtrans-54.5-33.7175.500000110.9L23 M126 P131 K154 E158 F159 F160L23-A156 HydrophobicContact CD1-CB 4.12Å; M126-A156 HydrophobicContact SD-CB 4.05Å; P131-A156 WeakPolarHBondContact O-CB 3.3Å; P131-A156 PolarHBondContact O-N 3.14Å; K154-A156 PolarHBondContact O-N 2.87Å; A156-E158 PolarHBondContact O-N 2.87Å; A156-E158 VanDerWaalsContact O-N 3.1Å; A156-F159 PolarHBondContact O-N 2.94Å; A156-F160 VanDerWaalsContact O-CD2 3.28Å; A156-F160 WeakPolarHBondContact O-CD2 3.47Å
157A82.8Confident83.8Confident67 Ų6761 Ų6155%0.55432%0.323SS*.G310 helixtrans-59-2317900000114.3S155 F159S155-A157 PolarHBondContact O-N 3.25Å; S155-A157 VanDerWaalsContact O-N 3.13Å; A157-F159 PolarHBondContact O-N 2.75Å
158E84.1Confident83.9Confident99 Ų9959.7 Ų59.746%0.46331%0.307SS..G310 helixtrans-65.6-28175.4-69.9176.1-145.600112K154 S155 A156K154-E158 IonicContact NZ-OE2 3.1Å; S155-E158 WeakPolarHBondContact O-CB 3.36Å; S155-E158 PolarHBondContact O-N 3.4Å; A156-E158 PolarHBondContact O-N 2.87Å; A156-E158 VanDerWaalsContact O-N 3.1Å
159F83.8Confident84Confident7 Ų761.3 Ų61.33%0.03133%0.328CS..THydrogen-bonded Turntrans-95-12.3-175.8-53.9-61.3000113.7L23 K154 A156 A157 L166 Q167 Y171 F174L23-F159 HydrophobicContact CD2-CB 4.02Å; L23-F159 HydrophobicContact CD2-CD2 3.94Å; L23-F159 HydrophobicContact CD2-CG 4.2Å; K154-F159 HydrophobicContact CB-CE2 3.95Å; K154-F159 HydrophobicContact CB-CZ 4.1Å; K154-F159 HydrophobicContact CG-CZ 4.37Å; A156-F159 PolarHBondContact O-N 2.94Å; A157-F159 PolarHBondContact O-N 2.75Å; F159-L166 HydrophobicContact CB-CD1 3.89Å; F159-Q167 WeakPolarHBondContact O-CB 3.46Å; F159-Q167 PolarHBondContact O-N 2.87Å; F159-Y171 HydrophobicContact CB-CD2 4.43Å; F159-Y171 AromaticContact CD1-CD2 3.65Å; F159-Y171 HydrophobicContact CD1-CD2 3.65Å; F159-Y171 HydrophobicContact CD1-CG 4.33Å; F159-Y171 AromaticContact CD2-CD2 3.94Å; F159-Y171 HydrophobicContact CD2-CD2 3.94Å; F159-Y171 HydrophobicContact CD2-CE2 4.26Å; F159-Y171 AromaticContact CE1-CD2 3.76Å; F159-Y171 HydrophobicContact CE1-CD2 3.76Å; F159-Y171 HydrophobicContact CE2-CD2 4.05Å; F159-Y171 HydrophobicContact CE2-CE2 4.18Å; F159-Y171 AromaticContact CG-CD2 3.73Å; F159-Y171 HydrophobicContact CG-CD2 3.73Å; F159-Y171 HydrophobicContact CG-CE2 4.49Å; F159-Y171 AromaticContact CZ-CD2 3.96Å; F159-Y171 HydrophobicContact CZ-CD2 3.96Å; F159-Y171 HydrophobicContact CZ-CE2 4.34Å; F159-F174 HydrophobicContact CE1-CB 3.98Å; F159-F174 HydrophobicContact CE1-CD1 4.19Å; F159-F174 HydrophobicContact CE1-CG 4.05Å; F159-F174 HydrophobicContact CZ-CB 4.34Å; F159-F174 AromaticContact CZ-CD1 3.78Å; F159-F174 HydrophobicContact CZ-CD1 3.78Å; F159-F174 HydrophobicContact CZ-CD2 4.39Å; F159-F174 HydrophobicContact CZ-CE1 4.16Å; F159-F174 AromaticContact CZ-CG 3.9Å; F159-F174 HydrophobicContact CZ-CG 3.9Å
160F84.5Confident84.1Confident19 Ų1962.6 Ų62.68%0.08333%0.329CS..BIsolated β-bridgetrans-109.2138.7-178.4-69.2-91.1000111.4V11 L19 A22 L23 A156 E165 L166V11-F160 HydrophobicContact CB-CE1 4.02Å; V11-F160 HydrophobicContact CG2-CE1 3.92Å; L19-F160 HydrophobicContact CB-CE2 4.3Å; L19-F160 HydrophobicContact CB-CZ 4.39Å; L19-F160 HydrophobicContact CD2-CD1 3.8Å; L19-F160 HydrophobicContact CD2-CD2 3.58Å; L19-F160 HydrophobicContact CD2-CE1 3.61Å; L19-F160 HydrophobicContact CD2-CE2 3.41Å; L19-F160 VanDerWaalsContact CD2-CE2 3.41Å; L19-F160 HydrophobicContact CD2-CG 3.78Å; L19-F160 HydrophobicContact CD2-CZ 3.41Å; L19-F160 VanDerWaalsContact CD2-CZ 3.41Å; L19-F160 HydrophobicContact CG-CE2 4.41Å; L19-F160 HydrophobicContact CG-CZ 4.5Å; A22-F160 HydrophobicContact CB-CZ 4.29Å; L23-F160 HydrophobicContact CD1-CE2 4.12Å; L23-F160 HydrophobicContact CD2-CE2 3.96Å; L23-F160 HydrophobicContact CD2-CZ 4.36Å; L23-F160 HydrophobicContact CG-CE2 3.91Å; L23-F160 HydrophobicContact CG-CZ 4.17Å; A156-F160 VanDerWaalsContact O-CD2 3.28Å; A156-F160 WeakPolarHBondContact O-CD2 3.47Å; F160-E165 WeakPolarHBondContact CA-O 3.25Å; F160-L166 HydrophobicContact CD1-CB 4.22Å; F160-L166 HydrophobicContact CD1-CD1 4.46Å; F160-L166 HydrophobicContact CD2-CD1 4.43Å; F160-L166 HydrophobicContact CE1-CB 3.82Å; F160-L166 HydrophobicContact CE1-CD1 3.99Å; F160-L166 HydrophobicContact CE1-CG 4.49Å; F160-L166 HydrophobicContact CE2-CD1 3.95Å; F160-L166 HydrophobicContact CZ-CB 4.35Å; F160-L166 HydrophobicContact CZ-CD1 3.72Å
161N83.5Confident84.1Confident42 Ų4260.9 Ų60.923%0.22532%0.32CS..  trans-80.2174.9173.5759000111.9K163 G164 E165 Q167N161-K163 PolarHBondContact O-N 3.44Å; N161-K163 VanDerWaalsContact OD1-CA 3.3Å; N161-K163 WeakPolarHBondContact OD1-CA 3.25Å; N161-K163 VanDerWaalsContact OD1-CB 3.32Å; N161-K163 WeakPolarHBondContact OD1-CB 3.38Å; N161-K163 PolarHBondContact OD1-N 3.44Å; N161-G164 PolarHBondContact O-N 3.31Å; N161-G164 PolarHBondContact OD1-N 2.96Å; N161-E165 PolarHBondContact N-O 2.8Å; N161-E165 PolarHBondContact ND2-OE2 3.4Å; N161-E165 PolarHBondContact OD1-N 3.39Å; N161-E165 PolarHBondContact OD1-O 2.96Å; N161-Q167 HydrophobicContact CB-CG 4.31Å
162I80.8Confident84.2Confident156 Ų15659.4 Ų59.480%0.831%0.306SS*.THydrogen-bonded Turntrans-60.9-19.3178.2-58.4164.1000111.9K13K13-I162 WeakPolarHBondContact CE-O 3.45Å; K13-I162 PolarHBondContact NZ-O 2.98Å
163K77.9Confident84.2Confident160 Ų16059 Ų5970%0.69631%0.309SS*.THydrogen-bonded Turntrans-86.4-10.2175.8-62.2179.11781780113.4N161 E165N161-K163 PolarHBondContact O-N 3.44Å; N161-K163 VanDerWaalsContact OD1-CA 3.3Å; N161-K163 WeakPolarHBondContact OD1-CA 3.25Å; N161-K163 VanDerWaalsContact OD1-CB 3.32Å; N161-K163 WeakPolarHBondContact OD1-CB 3.38Å; N161-K163 PolarHBondContact OD1-N 3.44Å; K163-E165 HydrophobicContact CB-CG 4.28Å
164G76.8Confident84.2Confident0 Ų054.7 Ų54.70%029%0.288CS..SBendtrans84.715.6-173.400000113.6V11 N161V11-G164 PolarHBondContact N-O 3.39Å; N161-G164 PolarHBondContact O-N 3.31Å; N161-G164 PolarHBondContact OD1-N 2.96Å
165E81.5Confident84.3Confident41 Ų4151 Ų5119%0.19227%0.273CS..BIsolated β-bridgetrans-86.7135.7173.8-59.7156.6164.200109.4E8 T10 F160 N161 K163 Q167E8-E165 HydrophobicContact CB-CB 4.33Å; E8-E165 HydrophobicContact CB-CG 4.3Å; T10-E165 HydrophobicContact CG2-CG 3.85Å; F160-E165 WeakPolarHBondContact CA-O 3.25Å; N161-E165 PolarHBondContact N-O 2.8Å; N161-E165 PolarHBondContact ND2-OE2 3.4Å; N161-E165 PolarHBondContact OD1-N 3.39Å; N161-E165 PolarHBondContact OD1-O 2.96Å; K163-E165 HydrophobicContact CB-CG 4.28Å; E165-Q167 PolarHBondContact O-N 2.87Å
166L83.6Confident84.3Confident12 Ų1252 Ų526%0.06328%0.275CS..BIsolated β-bridgetrans-74.1120176.7179.870.1000110.6L23 A26 F159 F160 R168L23-L166 HydrophobicContact CD2-CD1 3.63Å; A26-L166 HydrophobicContact CB-CD2 3.45Å; A26-L166 VanDerWaalsContact CB-CD2 3.45Å; F159-L166 HydrophobicContact CB-CD1 3.89Å; F160-L166 HydrophobicContact CD1-CB 4.22Å; F160-L166 HydrophobicContact CD1-CD1 4.46Å; F160-L166 HydrophobicContact CD2-CD1 4.43Å; F160-L166 HydrophobicContact CE1-CB 3.82Å; F160-L166 HydrophobicContact CE1-CD1 3.99Å; F160-L166 HydrophobicContact CE1-CG 4.49Å; F160-L166 HydrophobicContact CE2-CD1 3.95Å; F160-L166 HydrophobicContact CZ-CB 4.35Å; F160-L166 HydrophobicContact CZ-CD1 3.72Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 HydrophobicContact CD2-CG 4.46Å; L166-R168 PolarHBondContact O-N 3.5Å
167Q85.2Confident84.6Confident64 Ų6456.7 Ų56.730%0.29930%0.299SS..  trans-77.982.3174.8-58.9-171.435.300110.2F159 N161 E165 S169 Q170 Y171F159-Q167 WeakPolarHBondContact O-CB 3.46Å; F159-Q167 PolarHBondContact O-N 2.87Å; N161-Q167 HydrophobicContact CB-CG 4.31Å; E165-Q167 PolarHBondContact O-N 2.87Å; Q167-S169 PolarHBondContact O-N 3.38Å; Q167-S169 VanDerWaalsContact O-N 3.15Å; Q167-Q170 HydrophobicContact CB-CB 4.46Å; Q167-Q170 HydrophobicContact CB-CG 4.31Å; Q167-Q170 PolarHBondContact O-N 3.04Å; Q167-Q170 VanDerWaalsContact O-N 3.13Å; Q167-Y171 PolarHBondContact O-N 3.49Å
168R84Confident84.8Confident64 Ų6453.6 Ų53.624%0.24227%0.274CS..Hα-helixtrans-51.1-39.8-177.4-69.7-170.6178.3-155.5-9.6113.2E29 L166 Q170 Y171 D172E29-R168 IonicContact OE1-NH1 3.97Å; E29-R168 PolarHBondContact OE1-NH1 2.97Å; E29-R168 VanDerWaalsContact OE1-NH1 3.1Å; E29-R168 IonicContact OE2-CZ 3.73Å; E29-R168 IonicContact OE2-NH1 3.1Å; E29-R168 PolarHBondContact OE2-NH1 3.35Å; E29-R168 IonicContact OE2-NH2 3.89Å; E29-R168 PolarHBondContact OE2-NH2 2.88Å; L166-R168 VanDerWaalsContact C-N 3.33Å; L166-R168 HydrophobicContact CD2-CG 4.46Å; L166-R168 PolarHBondContact O-N 3.5Å; R168-Q170 PolarHBondContact O-N 3.29Å; R168-Y171 PolarHBondContact O-N 3.37Å; R168-D172 WeakPolarHBondContact O-CB 3.26Å; R168-D172 PolarHBondContact O-N 3.15Å; R168-D172 VanDerWaalsContact O-OD1 3.1Å
169S85.4Confident84.9Confident96 Ų9649.3 Ų49.367%0.67125%0.254SS*.Hα-helixtrans-60.6-41.3-179.455.40000114Q167 G173Q167-S169 PolarHBondContact O-N 3.38Å; Q167-S169 VanDerWaalsContact O-N 3.15Å; S169-G173 PolarHBondContact O-N 2.92Å; S169-G173 VanDerWaalsContact O-N 3.12Å
170Q86.6Confident85Confident101 Ų10151.8 Ų51.847%0.47227%0.273SS..Hα-helixtrans-71.3-43.8178.3-63-157.336.700110.9Q167 R168 G173 F174Q167-Q170 HydrophobicContact CB-CB 4.46Å; Q167-Q170 HydrophobicContact CB-CG 4.31Å; Q167-Q170 PolarHBondContact O-N 3.04Å; Q167-Q170 VanDerWaalsContact O-N 3.13Å; R168-Q170 PolarHBondContact O-N 3.29Å; Q170-G173 PolarHBondContact O-N 3.22Å; Q170-F174 WeakPolarHBondContact O-CB 3.18Å; Q170-F174 PolarHBondContact O-N 3.46Å
171Y88Confident85.2Confident0 Ų054.9 Ų54.90%029%0.29CS..Hα-helixtrans-64.8-42.3179.3-168.6-116.6000111.7L23 A26 A27 F159 Q167 R168 G173 F174 L175L23-Y171 HydrophobicContact CD2-CD2 3.76Å; L23-Y171 HydrophobicContact CD2-CE1 4.34Å; L23-Y171 HydrophobicContact CD2-CE2 3.51Å; L23-Y171 HydrophobicContact CD2-CG 4.29Å; L23-Y171 WeakPolarHBondContact O-CE1 3.38Å; L23-Y171 PolarHBondContact O-OH 3.1Å; A26-Y171 HydrophobicContact CB-CD1 3.94Å; A26-Y171 HydrophobicContact CB-CE1 3.94Å; A27-Y171 HydrophobicContact CB-CE1 3.94Å; F159-Y171 HydrophobicContact CB-CD2 4.43Å; F159-Y171 AromaticContact CD1-CD2 3.65Å; F159-Y171 HydrophobicContact CD1-CD2 3.65Å; F159-Y171 HydrophobicContact CD1-CG 4.33Å; F159-Y171 AromaticContact CD2-CD2 3.94Å; F159-Y171 HydrophobicContact CD2-CD2 3.94Å; F159-Y171 HydrophobicContact CD2-CE2 4.26Å; F159-Y171 AromaticContact CE1-CD2 3.76Å; F159-Y171 HydrophobicContact CE1-CD2 3.76Å; F159-Y171 HydrophobicContact CE2-CD2 4.05Å; F159-Y171 HydrophobicContact CE2-CE2 4.18Å; F159-Y171 AromaticContact CG-CD2 3.73Å; F159-Y171 HydrophobicContact CG-CD2 3.73Å; F159-Y171 HydrophobicContact CG-CE2 4.49Å; F159-Y171 AromaticContact CZ-CD2 3.96Å; F159-Y171 HydrophobicContact CZ-CD2 3.96Å; F159-Y171 HydrophobicContact CZ-CE2 4.34Å; Q167-Y171 PolarHBondContact O-N 3.49Å; R168-Y171 PolarHBondContact O-N 3.37Å; Y171-G173 PolarHBondContact O-N 2.91Å; Y171-F174 HydrophobicContact CD2-CD1 4.41Å; Y171-F174 HydrophobicContact CE2-CD1 4.37Å; Y171-F174 WeakPolarHBondContact O-CB 3.3Å; Y171-F174 PolarHBondContact O-N 2.9Å; Y171-L175 HydrophobicContact CD1-CD1 3.87Å; Y171-L175 HydrophobicContact CD1-CG 4.43Å; Y171-L175 HydrophobicContact CE1-CD1 3.56Å; Y171-L175 HydrophobicContact CE1-CG 4.18Å; Y171-L175 WeakPolarHBondContact O-CG 3.35Å; Y171-L175 PolarHBondContact O-N 3.19Å
172D87.9Confident85.2Confident50 Ų5053 Ų5327%0.26728%0.28SS..Hα-helixtrans-62.7-43.3176.4-69.50.4000111.7L30 R168 F174 L175 L176L30-D172 VanDerWaalsContact CD1-CA 3.48Å; L30-D172 HydrophobicContact CD1-CB 3.34Å; L30-D172 WeakPolarHBondContact CD1-OD1 3.29Å; R168-D172 WeakPolarHBondContact O-CB 3.26Å; R168-D172 PolarHBondContact O-N 3.15Å; R168-D172 VanDerWaalsContact O-OD1 3.1Å; D172-F174 VanDerWaalsContact C-N 3.34Å; D172-L175 PolarHBondContact O-N 3.13Å; D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 WeakPolarHBondContact O-CD1 3.39Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 3.42Å
173G88.5Confident85.2Confident27 Ų2748.8 Ų48.828%0.27825%0.254SS..Hα-helixtrans-61.3-42.8174.600000112.1S169 Q170 Y171 L176 N177S169-G173 PolarHBondContact O-N 2.92Å; S169-G173 VanDerWaalsContact O-N 3.12Å; Q170-G173 PolarHBondContact O-N 3.22Å; Y171-G173 PolarHBondContact O-N 2.91Å; G173-L176 PolarHBondContact O-N 3.37Å; G173-N177 WeakPolarHBondContact O-CB 3.49Å; G173-N177 PolarHBondContact O-N 2.98Å; G173-N177 PolarHBondContact O-ND2 3.28Å
174F88.7Confident85.3Confident31 Ų3144.3 Ų44.314%0.13624%0.243CC..Hα-helixtrans-60.9-48.7175.7169.4-103.2000112.3L135 V152 K154 F159 Q170 Y171 D172 L176 N177 L178L135-F174 HydrophobicContact CD2-CE1 4.07Å; V152-F174 HydrophobicContact CB-CZ 4.2Å; V152-F174 HydrophobicContact CG1-CE2 3.74Å; V152-F174 HydrophobicContact CG1-CZ 3.61Å; K154-F174 HydrophobicContact CD-CE2 4.39Å; K154-F174 HydrophobicContact CG-CD2 4.38Å; K154-F174 HydrophobicContact CG-CE2 3.6Å; K154-F174 HydrophobicContact CG-CZ 3.74Å; F159-F174 HydrophobicContact CE1-CB 3.98Å; F159-F174 HydrophobicContact CE1-CD1 4.19Å; F159-F174 HydrophobicContact CE1-CG 4.05Å; F159-F174 HydrophobicContact CZ-CB 4.34Å; F159-F174 AromaticContact CZ-CD1 3.78Å; F159-F174 HydrophobicContact CZ-CD1 3.78Å; F159-F174 HydrophobicContact CZ-CD2 4.39Å; F159-F174 HydrophobicContact CZ-CE1 4.16Å; F159-F174 AromaticContact CZ-CG 3.9Å; F159-F174 HydrophobicContact CZ-CG 3.9Å; Q170-F174 WeakPolarHBondContact O-CB 3.18Å; Q170-F174 PolarHBondContact O-N 3.46Å; Y171-F174 HydrophobicContact CD2-CD1 4.41Å; Y171-F174 HydrophobicContact CE2-CD1 4.37Å; Y171-F174 WeakPolarHBondContact O-CB 3.3Å; Y171-F174 PolarHBondContact O-N 2.9Å; D172-F174 VanDerWaalsContact C-N 3.34Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 3.45Å; F174-N177 PolarHBondContact O-N 3.14Å; F174-L178 WeakPolarHBondContact O-CB 3.44Å; F174-L178 PolarHBondContact O-N 3.48Å
175L87.5Confident84.9Confident0 Ų049.6 Ų49.60%027%0.268CS..Hα-helixtrans-62.9-39.1178.4-70.2177.4000112.4A27 L30 F31 L135 Y171 D172 L178 V179A27-L175 HydrophobicContact CB-CD1 3.82Å; A27-L175 HydrophobicContact CB-CD2 4.47Å; L30-L175 HydrophobicContact CB-CD1 4.33Å; L30-L175 HydrophobicContact CD2-CB 3.94Å; L30-L175 HydrophobicContact CD2-CD1 3.98Å; F31-L175 HydrophobicContact CE2-CD2 4.36Å; F31-L175 HydrophobicContact CZ-CD2 4.2Å; L135-L175 HydrophobicContact CD2-CD2 3.46Å; L135-L175 VanDerWaalsContact CD2-CD2 3.46Å; Y171-L175 HydrophobicContact CD1-CD1 3.87Å; Y171-L175 HydrophobicContact CD1-CG 4.43Å; Y171-L175 HydrophobicContact CE1-CD1 3.56Å; Y171-L175 HydrophobicContact CE1-CG 4.18Å; Y171-L175 WeakPolarHBondContact O-CG 3.35Å; Y171-L175 PolarHBondContact O-N 3.19Å; D172-L175 PolarHBondContact O-N 3.13Å; L175-L178 WeakPolarHBondContact O-CB 3.11Å; L175-L178 PolarHBondContact O-N 2.99Å; L175-V179 WeakPolarHBondContact O-CG2 3.4Å; L175-V179 PolarHBondContact O-N 2.85Å
176L86.8Confident83.7Confident55 Ų5552.7 Ų52.729%0.28828%0.28SS..Hα-helixtrans-65.3-41.8176.4-73.8166.4000112.5K34 D172 G173 F174 V179 S180K34-L176 HydrophobicContact CD-CD1 4.31Å; K34-L176 HydrophobicContact CD-CD2 3.68Å; K34-L176 HydrophobicContact CD-CG 4.4Å; D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 WeakPolarHBondContact O-CD1 3.39Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 3.42Å; G173-L176 PolarHBondContact O-N 3.37Å; F174-L176 VanDerWaalsContact C-N 3.33Å; F174-L176 PolarHBondContact O-N 3.45Å; L176-V179 PolarHBondContact O-N 2.9Å; L176-S180 WeakPolarHBondContact O-CB 3.24Å; L176-S180 PolarHBondContact O-N 3.02Å
177N88.8Confident82.1Confident99 Ų9961.4 Ų61.453%0.52932%0.318SS..Hα-helixtrans-63.2-45175.8-69.9-20.4000110.3G173 F174 V179 S180 D181G173-N177 WeakPolarHBondContact O-CB 3.49Å; G173-N177 PolarHBondContact O-N 2.98Å; G173-N177 PolarHBondContact O-ND2 3.28Å; F174-N177 PolarHBondContact O-N 3.14Å; N177-V179 VanDerWaalsContact C-N 3.33Å; N177-V179 PolarHBondContact O-N 3.31Å; N177-S180 WeakPolarHBondContact CA-OG 3.41Å; N177-S180 CarbonylContact O-C 3.59Å; N177-S180 WeakPolarHBondContact O-CA 3.32Å; N177-S180 WeakPolarHBondContact O-CB 3.48Å; N177-S180 PolarHBondContact O-N 3.37Å; N177-S180 PolarHBondContact O-OG 3.3Å; N177-D181 VanDerWaalsContact O-CG 3.26Å; N177-D181 PolarHBondContact O-N 2.97Å
178L87.5Confident80.4Confident3 Ų363.4 Ų63.42%0.01634%0.339CS..Hα-helixtrans-55.3-46.5175.3-174.578000112.3L135 L137 L150 V152 F174 L175 S180 D181 L182L135-L178 HydrophobicContact CD2-CD2 3.67Å; L135-L178 HydrophobicContact CG-CD2 4.27Å; L137-L178 HydrophobicContact CB-CD2 4.15Å; L150-L178 HydrophobicContact CD2-CD1 3.53Å; L150-L178 HydrophobicContact CD2-CG 4.06Å; L150-L178 WeakPolarHBondContact CD2-O 3.34Å; L150-L178 HydrophobicContact CG-CD1 3.89Å; V152-L178 HydrophobicContact CB-CD1 3.86Å; V152-L178 HydrophobicContact CG2-CD1 3.21Å; F174-L178 WeakPolarHBondContact O-CB 3.44Å; F174-L178 PolarHBondContact O-N 3.48Å; L175-L178 WeakPolarHBondContact O-CB 3.11Å; L175-L178 PolarHBondContact O-N 2.99Å; L178-S180 VanDerWaalsContact C-N 3.34Å; L178-D181 PolarHBondContact O-N 3.02Å; L178-L182 PolarHBondContact O-N 3.49Å
179V86.1Confident78.2Confident8 Ų871.2 Ų71.25%0.04838%0.378CS..Hα-helixtrans-63.5-42.6176.1171.20000110.8F31 W120 L137 L175 L176 N177 D181 L182 Y183F31-V179 HydrophobicContact CE1-CG2 3.79Å; W120-V179 HydrophobicContact CH2-CG1 3.67Å; W120-V179 HydrophobicContact CH2-CG2 4.25Å; W120-V179 HydrophobicContact CZ3-CG1 4.11Å; W120-V179 HydrophobicContact CZ3-CG2 3.83Å; L137-V179 HydrophobicContact CD2-CG2 3.85Å; L175-V179 WeakPolarHBondContact O-CG2 3.4Å; L175-V179 PolarHBondContact O-N 2.85Å; L176-V179 PolarHBondContact O-N 2.9Å; N177-V179 VanDerWaalsContact C-N 3.33Å; N177-V179 PolarHBondContact O-N 3.31Å; V179-D181 VanDerWaalsContact C-N 3.3Å; V179-D181 PolarHBondContact O-N 3.47Å; V179-L182 PolarHBondContact O-N 2.94Å; V179-Y183 HydrophobicContact CG1-CD2 3.78Å; V179-Y183 HydrophobicContact CG1-CE2 3.75Å; V179-Y183 WeakPolarHBondContact O-CD2 3.45Å; V179-Y183 PolarHBondContact O-N 3.32Å; V179-Y183 VanDerWaalsContact O-N 3.1Å
180S86Confident77.8Confident60 Ų6070 Ų7042%0.4236%0.363SS..Hα-helixtrans-64.3-35.4178.678.20000112.4L176 N177 L178 Y183 S184L176-S180 WeakPolarHBondContact O-CB 3.24Å; L176-S180 PolarHBondContact O-N 3.02Å; N177-S180 WeakPolarHBondContact CA-OG 3.41Å; N177-S180 CarbonylContact O-C 3.59Å; N177-S180 WeakPolarHBondContact O-CA 3.32Å; N177-S180 WeakPolarHBondContact O-CB 3.48Å; N177-S180 PolarHBondContact O-N 3.37Å; N177-S180 PolarHBondContact O-OG 3.3Å; L178-S180 VanDerWaalsContact C-N 3.34Å; S180-Y183 CarbonylContact O-C 3.54Å; S180-Y183 PolarHBondContact O-N 2.97Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.07Å
181D87.6Confident77.4Confident84 Ų8468.3 Ų68.345%0.44936%0.357SS..Hα-helixtrans-68.9-42.8177.1-70.1-23000111.2L150 N177 L178 V179 Y183 S184 E185L150-D181 HydrophobicContact CD2-CB 3.84Å; N177-D181 VanDerWaalsContact O-CG 3.26Å; N177-D181 PolarHBondContact O-N 2.97Å; L178-D181 PolarHBondContact O-N 3.02Å; V179-D181 VanDerWaalsContact C-N 3.3Å; V179-D181 PolarHBondContact O-N 3.47Å; D181-Y183 PolarHBondContact O-N 3.5Å; D181-S184 WeakPolarHBondContact CA-OG 3.38Å; D181-S184 PolarHBondContact O-N 3.45Å; D181-S184 VanDerWaalsContact O-N 3.08Å; D181-S184 PolarHBondContact O-OG 3.16Å; D181-E185 PolarHBondContact O-N 3.37Å
182L84.4Confident76.8Confident2 Ų272.1 Ų72.11%0.0138%0.377CS..Hα-helixtrans-61.8-33.2174.6-176.7121.1000112.3L137 V139 R148 L150 L178 V179L137-L182 HydrophobicContact CD2-CD1 4.28Å; L137-L182 HydrophobicContact CD2-CD2 4.32Å; L137-L182 HydrophobicContact CG-CD1 4.2Å; L137-L182 WeakPolarHBondContact O-CD1 3.21Å; V139-L182 HydrophobicContact CB-CD2 3.84Å; V139-L182 HydrophobicContact CG2-CD2 3.38Å; R148-L182 HydrophobicContact CB-CD1 4.42Å; L150-L182 HydrophobicContact CB-CB 4.36Å; L150-L182 HydrophobicContact CB-CD1 3.64Å; L150-L182 HydrophobicContact CD2-CB 4.1Å; L178-L182 PolarHBondContact O-N 3.49Å; V179-L182 PolarHBondContact O-N 2.94Å
183Y80.2Confident76.1Confident68 Ų6873.4 Ų73.427%0.26738%0.383SS..Hα-helixtrans-82.5-25.5172.4-78.2-63.4000113.9W120 V179 S180 D181 K186W120-Y183 AromaticContact CH2-CE2 3.94Å; W120-Y183 HydrophobicContact CH2-CE2 3.94Å; W120-Y183 AromaticContact CZ2-CE2 3.89Å; W120-Y183 HydrophobicContact CZ2-CE2 3.89Å; W120-Y183 AromaticContact CZ2-CZ 3.89Å; W120-Y183 WeakPolarHBondContact CZ2-OH 3.31Å; V179-Y183 HydrophobicContact CG1-CD2 3.78Å; V179-Y183 HydrophobicContact CG1-CE2 3.75Å; V179-Y183 WeakPolarHBondContact O-CD2 3.45Å; V179-Y183 PolarHBondContact O-N 3.32Å; V179-Y183 VanDerWaalsContact O-N 3.1Å; S180-Y183 CarbonylContact O-C 3.54Å; S180-Y183 PolarHBondContact O-N 2.97Å; D181-Y183 PolarHBondContact O-N 3.5Å; Y183-K186 WeakPolarHBondContact O-CB 3.44Å; Y183-K186 PolarHBondContact O-N 3.17Å; Y183-K186 VanDerWaalsContact O-N 3.13Å
184S79.2Confident75.3Confident65 Ų6576.3 Ų76.346%0.45539%0.39SS..Hα-helixtrans-72.6-34.9177.377.60000110.7S180 D181 K186 K187S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.07Å; D181-S184 WeakPolarHBondContact CA-OG 3.38Å; D181-S184 PolarHBondContact O-N 3.45Å; D181-S184 VanDerWaalsContact O-N 3.08Å; D181-S184 PolarHBondContact O-OG 3.16Å; S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 VanDerWaalsContact O-N 3.07Å; S184-K187 PolarHBondContact O-N 3.08Å
185E69.1Low74.4Confident111 Ų11179.3 Ų79.352%0.51941%0.407SS..G310 helixtrans-55.8-24.3168-118.4-170.2162.300112.1D181 K187 S188D181-E185 PolarHBondContact O-N 3.37Å; E185-K187 PolarHBondContact O-N 3.47Å; E185-S188 PolarHBondContact O-N 3.41Å
186K57.3Low73.5Confident106 Ų10685 Ų8546%0.46144%0.436SS..G310 helixtrans-58.9-26.1171.9-164.3162.3176.8171.30113.7Y183 S184Y183-K186 WeakPolarHBondContact O-CB 3.44Å; Y183-K186 PolarHBondContact O-N 3.17Å; Y183-K186 VanDerWaalsContact O-N 3.13Å; S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 VanDerWaalsContact O-N 3.07Å
187K49.5Very low72.5Confident196 Ų19687.3 Ų87.385%0.85245%0.447SS*.G310 helixtrans-95.7-11.3-174.7-66.9-171.7179.5-179.60113.3S184 E185S184-K187 PolarHBondContact O-N 3.08Å; E185-K187 PolarHBondContact O-N 3.47Å
188S49.1Very low71.1Confident105 Ų10586.3 Ų86.373%0.73444%0.441SS*.  trans-96.65.3-176.5-165.10000114.2E185E185-S188 PolarHBondContact O-N 3.41Å
189H37.7Very low69.7Low228 Ų22893.9 Ų93.9100%1.05648%0.479SS*.  trans-151.70-177.5-145.4-56000112.7

Retrieved 189 of 189 residues in 364.5 ms (Link to these results)

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