A0A5K4FD03_SCHMA Loading...

CENP-V/GFA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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
1M59Low83.3Confident150 Ų15069.4 Ų69.474%0.73938%0.378SS*.  0114.90177.3-178158.900106.5T12 I14M1-T12 HydrophobicContact CE-CG2 3.62Å; M1-T12 HydrophobicContact CG-CG2 3.57Å; M1-T12 HydrophobicContact SD-CG2 4.23Å; M1-I14 HydrophobicContact CG-CG1 4.37Å
2N75.3Confident84Confident60 Ų6064.7 Ų64.732%0.32135%0.353SS..EExtended strand (participates in β ladder)trans-106.7131.4-179.7-62.8-11.9000108.1T12 A13 F79 N80N2-T12 WeakPolarHBondContact O-CA 3.46Å; N2-A13 PolarHBondContact N-O 2.84Å; N2-A13 PolarHBondContact O-N 3.42Å; N2-A13 VanDerWaalsContact O-N 3.17Å; N2-F79 HydrophobicContact CB-CD1 4.43Å; N2-F79 HydrophobicContact CB-CE1 4.1Å; N2-N80 WeakPolarHBondContact CB-OD1 3.39Å; N2-N80 VanDerWaalsContact ND2-CG 3.34Å; N2-N80 PolarHBondContact ND2-ND2 3.45Å; N2-N80 VanDerWaalsContact ND2-ND2 3.13Å; N2-N80 PolarHBondContact ND2-OD1 2.97Å
3C83.9Confident84.6Confident74 Ų7459.7 Ų59.750%0.533%0.326SS..EExtended strand (participates in β ladder)trans-120135.7-178.9175.70000108.9C11C3-C11 CarbonylContact C-O 3.54Å; C3-C11 VanDerWaalsContact CA-O 3.31Å; C3-C11 WeakPolarHBondContact CA-O 3.43Å
4R87.9Confident84.8Confident65 Ų6556 Ų5625%0.24531%0.306CS..EExtended strand (participates in β ladder)trans-130.9146.8172.1-66.9-172.271.6-170.82.9109.3V6 I10 C11 F79 N80 G82R4-V6 HydrophobicContact CB-CG2 4.41Å; R4-I10 CarbonylContact O-C 3.54Å; R4-I10 WeakPolarHBondContact O-CA 2.99Å; R4-C11 PolarHBondContact N-O 3.19Å; R4-C11 PolarHBondContact O-N 3.22Å; R4-F79 WeakPolarHBondContact CD-O 3.49Å; R4-F79 HydrophobicContact CG-CE1 4.39Å; R4-F79 PolarHBondContact NH1-O 2.75Å; R4-N80 PolarHBondContact NH1-O 2.96Å; R4-G82 PolarHBondContact NH1-O 2.73Å; R4-G82 PolarHBondContact NH2-O 2.82Å
5I87.4Confident84.8Confident125 Ų12554.3 Ų54.364%0.64130%0.296SS*.EExtended strand (participates in β ladder)trans-112.4120.8172.2-54-179.7000107.4I9 I10I5-I9 CarbonylContact C-O 3.51Å; I5-I9 VanDerWaalsContact CA-O 3.29Å; I5-I9 WeakPolarHBondContact CA-O 3.41Å; I5-I10 HydrophobicContact CG1-CG1 4.28Å
6V85.7Confident84.6Confident25 Ų2551.2 Ų51.215%0.15228%0.28CS..EExtended strand (participates in β ladder)trans-137.3120.2-176.9-176.50000109R4 G8 I9 V84R4-V6 HydrophobicContact CB-CG2 4.41Å; V6-G8 PolarHBondContact O-N 3.12Å; V6-G8 VanDerWaalsContact O-N 3.09Å; V6-I9 PolarHBondContact N-O 3.49Å; V6-I9 WeakPolarHBondContact O-CA 3.36Å; V6-I9 VanDerWaalsContact O-CB 3.32Å; V6-I9 WeakPolarHBondContact O-CB 3.46Å; V6-I9 PolarHBondContact O-N 3.07Å; V6-V84 HydrophobicContact CB-CG2 4.23Å; V6-V84 HydrophobicContact CG1-CB 3.72Å; V6-V84 HydrophobicContact CG1-CG1 3.96Å; V6-V84 HydrophobicContact CG1-CG2 3.76Å; V6-V84 HydrophobicContact CG2-CG2 3.84Å
7E82.7Confident84.3Confident144 Ų14455.8 Ų55.867%0.67330%0.299SS*.THydrogen-bonded Turntrans49.536.9-178.3-60.1-171.9176.700113.9I9 I88E7-I9 VanDerWaalsContact C-N 3.25Å; E7-I9 PolarHBondContact O-N 3.33Å; E7-I88 HydrophobicContact CB-CD1 4.34Å
8G85.6Confident83.9Confident52 Ų5255.9 Ų55.954%0.53630%0.302SS..THydrogen-bonded Turntrans78.8-1.1-177.100000115.1V6V6-G8 PolarHBondContact O-N 3.12Å; V6-G8 VanDerWaalsContact O-N 3.09Å
9I87.7Confident83.6Confident2 Ų260.3 Ų60.31%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-87.2126.5172.2-48.7-166.4000109.3I5 V6 E7 F38 L39 K40 I88I5-I9 CarbonylContact C-O 3.51Å; I5-I9 VanDerWaalsContact CA-O 3.29Å; I5-I9 WeakPolarHBondContact CA-O 3.41Å; V6-I9 PolarHBondContact N-O 3.49Å; V6-I9 WeakPolarHBondContact O-CA 3.36Å; V6-I9 VanDerWaalsContact O-CB 3.32Å; V6-I9 WeakPolarHBondContact O-CB 3.46Å; V6-I9 PolarHBondContact O-N 3.07Å; E7-I9 VanDerWaalsContact C-N 3.25Å; E7-I9 PolarHBondContact O-N 3.33Å; I9-F38 HydrophobicContact CG2-CB 4.12Å; I9-F38 HydrophobicContact CG2-CD1 4.37Å; I9-L39 CarbonylContact C-O 3.6Å; I9-L39 WeakPolarHBondContact CA-O 3.42Å; I9-K40 HydrophobicContact CD1-CD 4.22Å; I9-K40 HydrophobicContact CG1-CB 4.02Å; I9-K40 HydrophobicContact CG1-CD 3.81Å; I9-K40 HydrophobicContact CG1-CG 4.04Å; I9-I88 HydrophobicContact CD1-CD1 3.91Å; I9-I88 HydrophobicContact CD1-CG1 4.46Å; I9-I88 HydrophobicContact CD1-CG2 3.39Å
10I90.1Very high83.4Confident64 Ų6458.3 Ų58.333%0.32832%0.316SS..EExtended strand (participates in β ladder)trans-86.2110.8167.5-58.6169.2000107.4R4 I5 F38 L39R4-I10 CarbonylContact O-C 3.54Å; R4-I10 WeakPolarHBondContact O-CA 2.99Å; I5-I10 HydrophobicContact CG1-CG1 4.28Å; I10-F38 WeakPolarHBondContact O-CA 3.33Å; I10-L39 HydrophobicContact CB-CB 4.24Å; I10-L39 HydrophobicContact CD1-CD2 4.29Å; I10-L39 PolarHBondContact N-O 3.26Å; I10-L39 PolarHBondContact O-N 2.87Å
11C91.2Very high83.4Confident2 Ų258.9 Ų58.91%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-99129.3176.3-53.10000108.7C3 R4 F37 F38 F79C3-C11 CarbonylContact C-O 3.54Å; C3-C11 VanDerWaalsContact CA-O 3.31Å; C3-C11 WeakPolarHBondContact CA-O 3.43Å; R4-C11 PolarHBondContact N-O 3.19Å; R4-C11 PolarHBondContact O-N 3.22Å; C11-F37 CarbonylContact C-O 3.53Å; C11-F37 WeakPolarHBondContact CA-O 3.16Å; C11-F38 HydrophobicContact CB-CD1 3.98Å; C11-F38 HydrophobicContact CB-CE1 3.98Å; C11-F79 HydrophobicContact CB-CE2 3.92Å; C11-F79 HydrophobicContact CB-CZ 3.91Å
12T91.8Very high84.7Confident13 Ų1351.7 Ų51.78%0.0829%0.287CS..EExtended strand (participates in β ladder)trans-130.6138.4173.2-62.30000110.3M1 N2 I14 F36 F37M1-T12 HydrophobicContact CE-CG2 3.62Å; M1-T12 HydrophobicContact CG-CG2 3.57Å; M1-T12 HydrophobicContact SD-CG2 4.23Å; N2-T12 WeakPolarHBondContact O-CA 3.46Å; T12-I14 HydrophobicContact CG2-CD1 4.39Å; T12-I14 HydrophobicContact CG2-CG1 3.93Å; T12-F36 CarbonylContact O-C 3.52Å; T12-F36 WeakPolarHBondContact O-CA 3.46Å; T12-F37 PolarHBondContact N-O 3.07Å; T12-F37 PolarHBondContact O-N 3.35Å
13A91.5Very high84.9Confident0 Ų052.6 Ų52.60%029%0.292CS..EExtended strand (participates in β ladder)trans-120.4135169.700000110.6N2 I34 S35 F36 R76 F79N2-A13 PolarHBondContact N-O 2.84Å; N2-A13 PolarHBondContact O-N 3.42Å; N2-A13 VanDerWaalsContact O-N 3.17Å; A13-I34 HydrophobicContact CB-CG2 4.26Å; A13-S35 CarbonylContact C-O 3.53Å; A13-S35 WeakPolarHBondContact CA-O 3.3Å; A13-F36 HydrophobicContact CB-CD1 3.76Å; A13-F36 HydrophobicContact CB-CE1 3.85Å; A13-R76 VanDerWaalsContact C-NH1 3.34Å; A13-R76 PolarHBondContact O-NH1 2.77Å; A13-R76 PolarHBondContact O-NH2 2.78Å; A13-F79 HydrophobicContact CB-CD1 4.02Å; A13-F79 HydrophobicContact CB-CD2 4.02Å; A13-F79 HydrophobicContact CB-CE1 3.92Å; A13-F79 HydrophobicContact CB-CE2 3.9Å; A13-F79 HydrophobicContact CB-CG 4.08Å; A13-F79 HydrophobicContact CB-CZ 3.86Å
14I87.5Confident84.6Confident8 Ų850.8 Ų50.84%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-126.7123.6-176.7-52.2-172000109.7M1 T12 V18 R28 S35 F37 R76M1-I14 HydrophobicContact CG-CG1 4.37Å; T12-I14 HydrophobicContact CG2-CD1 4.39Å; T12-I14 HydrophobicContact CG2-CG1 3.93Å; I14-V18 HydrophobicContact CG2-CB 3.55Å; I14-V18 HydrophobicContact CG2-CG1 3.86Å; I14-V18 HydrophobicContact CG2-CG2 3.86Å; I14-R28 WeakPolarHBondContact O-CD 3.37Å; I14-S35 PolarHBondContact N-O 3.38Å; I14-S35 PolarHBondContact O-N 3.29Å; I14-F37 HydrophobicContact CB-CE2 4.14Å; I14-F37 HydrophobicContact CD1-CD2 3.93Å; I14-F37 HydrophobicContact CD1-CE2 3.36Å; I14-F37 HydrophobicContact CD1-CZ 4.09Å; I14-F37 HydrophobicContact CG1-CD2 4.01Å; I14-F37 HydrophobicContact CG1-CE2 3.64Å; I14-R76 VanDerWaalsContact C-NH2 3.29Å
15D85Confident84.2Confident31 Ų3147.7 Ų47.717%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-80.3161.2179.1-58.6-51.8000111.8E17 V18 R28 R76D15-E17 PolarHBondContact O-N 2.85Å; D15-V18 PolarHBondContact O-N 3.36Å; D15-V18 VanDerWaalsContact O-N 3.14Å; D15-R28 VanDerWaalsContact C-CD 3.5Å; D15-R28 PolarHBondContact O-NE 3.21Å; D15-R28 PolarHBondContact O-NH2 2.93Å; D15-R76 IonicContact OD1-CZ 3.2Å; D15-R76 IonicContact OD1-NE 2.9Å; D15-R76 PolarHBondContact OD1-NE 3.1Å; D15-R76 IonicContact OD1-NH2 2.68Å; D15-R76 PolarHBondContact OD1-NH2 2.85Å; D15-R76 IonicContact OD2-CZ 3.15Å; D15-R76 IonicContact OD2-NE 3.23Å; D15-R76 PolarHBondContact OD2-NE 3.07Å; D15-R76 IonicContact OD2-NH2 2.68Å; D15-R76 PolarHBondContact OD2-NH2 2.93Å
16S80.8Confident83.9Confident4 Ų446.5 Ų46.53%0.02826%0.255CS..THydrogen-bonded Turntrans-46.7-46.117551.80000111.7V18 H29 N32 G33 R72S16-V18 PolarHBondContact O-N 2.96Å; S16-H29 PolarHBondContact O-CE1 3.34Å; S16-H29 PolarHBondContact O-ND1 3.47Å; S16-N32 PolarHBondContact OG-OD1 3.22Å; S16-G33 PolarHBondContact N-O 3.41Å; S16-G33 VanDerWaalsContact N-O 3.09Å; S16-R72 PolarHBondContact OG-NH1 2.8Å
17E80Confident83.5Confident130 Ų13050.9 Ų50.961%0.60727%0.271SS*.THydrogen-bonded Turntrans-54.8-22.6-177.2-61.2122.5-154.100115.5D15 N19 R72D15-E17 PolarHBondContact O-N 2.85Å; E17-N19 PolarHBondContact O-N 3.45Å; E17-R72 IonicContact OE1-CZ 3.97Å; E17-R72 IonicContact OE1-NH1 2.84Å; E17-R72 PolarHBondContact OE1-NH1 2.86Å
18V76.4Confident83.2Confident58 Ų5844 Ų4435%0.35224%0.239SC..SBendtrans-80.1115.8179.7-177.30000110.3I14 D15 S16 C20 R28I14-V18 HydrophobicContact CG2-CB 3.55Å; I14-V18 HydrophobicContact CG2-CG1 3.86Å; I14-V18 HydrophobicContact CG2-CG2 3.86Å; D15-V18 PolarHBondContact O-N 3.36Å; D15-V18 VanDerWaalsContact O-N 3.14Å; S16-V18 PolarHBondContact O-N 2.96Å; V18-C20 PolarHBondContact O-N 3.46Å; V18-R28 PolarHBondContact O-NH2 2.9Å
19N79.3Confident82.7Confident138 Ų13845.2 Ų45.274%0.73823%0.231SC*.  trans-68.4120173.2-75.9-35.2000111.4E17 H29E17-N19 PolarHBondContact O-N 3.45Å; N19-H29 PolarHBondContact OD1-NE2 2.8Å
20C79.6Confident82.1Confident21 Ų2154 Ų5414%0.14227%0.27CS..  trans-136.5134.9169.5170.60000110V18 C22 C25 H125V18-C20 PolarHBondContact O-N 3.46Å; C20-C22 VanDerWaalsContact C-N 3.29Å; C20-C22 PolarHBondContact O-N 3.45Å; C20-C22 PolarHBondContact SG-N 3.42Å; C20-C25 HydrophobicContact CB-CB 3.46Å; C20-C25 VanDerWaalsContact CB-CB 3.46Å; C20-C25 VanDerWaalsContact SG-SG 3.67Å; C20-H125 PolarHBondContact SG-NE2 3.11Å
21P83.7Confident81.6Confident70 Ų7053 Ų5346%0.45527%0.267SS..  trans-78-8.4-175.432.2-37.4000114.4K26 Y124P21-K26 WeakPolarHBondContact O-CE 3.48Å; P21-K26 PolarHBondContact O-NZ 3.46Å; P21-Y124 HydrophobicContact CB-CE1 4.5Å; P21-Y124 HydrophobicContact CG-CD1 3.82Å; P21-Y124 HydrophobicContact CG-CE1 3.6Å; P21-Y124 HydrophobicContact CG-CG 4.38Å
22C85.8Confident81.3Confident0 Ų055.1 Ų55.10%028%0.278CS..SBendtrans-70.4154-17989.30000111.7C20 E24 C25 K26 Y124 H125C20-C22 VanDerWaalsContact C-N 3.29Å; C20-C22 PolarHBondContact O-N 3.45Å; C20-C22 PolarHBondContact SG-N 3.42Å; C22-E24 PolarHBondContact O-N 3.1Å; C22-C25 PolarHBondContact O-N 3.44Å; C22-C25 VanDerWaalsContact SG-CB 3.52Å; C22-C25 PolarHBondContact SG-N 2.93Å; C22-C25 VanDerWaalsContact SG-N 3.36Å; C22-C25 PolarHBondContact SG-SG 2.78Å; C22-K26 WeakPolarHBondContact O-CG 3.45Å; C22-K26 PolarHBondContact O-N 2.81Å; C22-Y124 HydrophobicContact CB-CD2 3.49Å; C22-Y124 VanDerWaalsContact CB-CD2 3.49Å; C22-Y124 HydrophobicContact CB-CE2 4.34Å; C22-Y124 HydrophobicContact CB-CG 3.99Å; C22-H125 PolarHBondContact SG-NE2 3.44Å
23D80Confident81.2Confident79 Ų7954.5 Ų54.542%0.42228%0.275SS..Hα-helixtrans-63.9-39.6-170.3-53.7-46.9000112.6K26 K27 S120D23-K26 PolarHBondContact O-N 2.74Å; D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 2.82Å; D23-S120 PolarHBondContact OD2-OG 2.82Å
24E76.9Confident81.2Confident36 Ų3654.5 Ų54.517%0.16828%0.275CS..Hα-helixtrans-67.3-41.7176.8-72.8-55.7136.400112.7C22 K26 K27 R28 V45 V121C22-E24 PolarHBondContact O-N 3.1Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.8Å; E24-K27 WeakPolarHBondContact O-CB 3.06Å; E24-K27 PolarHBondContact O-N 3.48Å; E24-K27 IonicContact OE1-NZ 2.65Å; E24-K27 PolarHBondContact OE1-NZ 3.24Å; E24-K27 IonicContact OE2-NZ 2.7Å; E24-R28 PolarHBondContact O-N 3.46Å; E24-V45 HydrophobicContact CG-CG1 4.29Å; E24-V121 HydrophobicContact CB-CG2 3.81Å; E24-V121 HydrophobicContact CG-CG2 3.48Å; E24-V121 VanDerWaalsContact CG-CG2 3.48Å
25C79.1Confident81.4Confident0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-71-29177.6-70.80000112.9C20 C22 K27 R28 H29 H125C20-C25 HydrophobicContact CB-CB 3.46Å; C20-C25 VanDerWaalsContact CB-CB 3.46Å; C20-C25 VanDerWaalsContact SG-SG 3.67Å; C22-C25 PolarHBondContact O-N 3.44Å; C22-C25 VanDerWaalsContact SG-CB 3.52Å; C22-C25 PolarHBondContact SG-N 2.93Å; C22-C25 VanDerWaalsContact SG-N 3.36Å; C22-C25 PolarHBondContact SG-SG 2.78Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-R28 WeakPolarHBondContact O-CB 3.4Å; C25-R28 PolarHBondContact O-N 2.78Å; C25-R28 PolarHBondContact SG-NH1 3.45Å; C25-H29 PolarHBondContact O-N 2.94Å; C25-H125 PolarHBondContact SG-CE1 3.46Å; C25-H125 PolarHBondContact SG-NE2 3.12Å
26K82.1Confident81.8Confident100 Ų10052.7 Ų52.744%0.43527%0.265SS..Hα-helixtrans-62.6-42.2171.2-77.6173177.2157.60110.9P21 C22 D23 E24 R28 H29 F30P21-K26 WeakPolarHBondContact O-CE 3.48Å; P21-K26 PolarHBondContact O-NZ 3.46Å; C22-K26 WeakPolarHBondContact O-CG 3.45Å; C22-K26 PolarHBondContact O-N 2.81Å; D23-K26 PolarHBondContact O-N 2.74Å; E24-K26 VanDerWaalsContact C-N 3.32Å; E24-K26 PolarHBondContact O-N 2.8Å; K26-R28 VanDerWaalsContact C-N 3.28Å; K26-R28 PolarHBondContact O-N 2.75Å; K26-H29 WeakPolarHBondContact O-CB 3.23Å; K26-H29 PolarHBondContact O-N 3.19Å; K26-F30 WeakPolarHBondContact O-CD2 3.36Å; K26-F30 WeakPolarHBondContact O-CE2 3.31Å
27K75.9Confident82.3Confident116 Ų11652.8 Ų52.850%0.50427%0.265SS..Hα-helixtrans-56.7-43.5175-66.2172.9-174.9172.30111.4D23 E24 C25 H29 F30 C31D23-K27 WeakPolarHBondContact O-CG 3.38Å; D23-K27 PolarHBondContact O-N 2.82Å; E24-K27 WeakPolarHBondContact O-CB 3.06Å; E24-K27 PolarHBondContact O-N 3.48Å; E24-K27 IonicContact OE1-NZ 2.65Å; E24-K27 PolarHBondContact OE1-NZ 3.24Å; E24-K27 IonicContact OE2-NZ 2.7Å; C25-K27 VanDerWaalsContact C-N 3.33Å; K27-H29 VanDerWaalsContact C-N 3.26Å; K27-H29 PolarHBondContact O-N 3.19Å; K27-F30 PolarHBondContact O-N 3.13Å; K27-F30 VanDerWaalsContact O-N 3.14Å; K27-C31 PolarHBondContact O-N 2.82Å; K27-C31 PolarHBondContact O-SG 3.28Å
28R78.2Confident82.9Confident0 Ų046.6 Ų46.60%024%0.236CC..Hα-helixtrans-53.6-41.5177.7-171.6-173.256.9-111.50.8112.9I14 D15 V18 E24 C25 K26 F30 C31 N32 G33 S35 T47I14-R28 WeakPolarHBondContact O-CD 3.37Å; D15-R28 VanDerWaalsContact C-CD 3.5Å; D15-R28 PolarHBondContact O-NE 3.21Å; D15-R28 PolarHBondContact O-NH2 2.93Å; V18-R28 PolarHBondContact O-NH2 2.9Å; E24-R28 PolarHBondContact O-N 3.46Å; C25-R28 WeakPolarHBondContact O-CB 3.4Å; C25-R28 PolarHBondContact O-N 2.78Å; C25-R28 PolarHBondContact SG-NH1 3.45Å; K26-R28 VanDerWaalsContact C-N 3.28Å; K26-R28 PolarHBondContact O-N 2.75Å; R28-F30 VanDerWaalsContact C-N 3.34Å; R28-F30 PolarHBondContact O-N 3.08Å; R28-C31 PolarHBondContact O-N 3.17Å; R28-C31 PolarHBondContact O-SG 2.75Å; R28-N32 PolarHBondContact O-N 3.08Å; R28-G33 WeakPolarHBondContact CD-O 3.1Å; R28-G33 VanDerWaalsContact CG-C 3.43Å; R28-G33 WeakPolarHBondContact CG-O 3.18Å; R28-G33 PolarHBondContact O-N 3.39Å; R28-G33 VanDerWaalsContact O-N 3.1Å; R28-S35 WeakPolarHBondContact CD-OG 3.44Å; R28-S35 PolarHBondContact NH1-OG 3.32Å; R28-T47 HydrophobicContact CB-CG2 3.72Å; R28-T47 HydrophobicContact CG-CG2 4.3Å
29H74.6Confident83.5Confident78 Ų7846.4 Ų46.436%0.36123%0.233SC..Hα-helixtrans-61.6-41.4179.9-107.1-32.8000112.6S16 N19 C25 K26 K27 C31S16-H29 PolarHBondContact O-CE1 3.34Å; S16-H29 PolarHBondContact O-ND1 3.47Å; N19-H29 PolarHBondContact OD1-NE2 2.8Å; C25-H29 PolarHBondContact O-N 2.94Å; K26-H29 WeakPolarHBondContact O-CB 3.23Å; K26-H29 PolarHBondContact O-N 3.19Å; K27-H29 VanDerWaalsContact C-N 3.26Å; K27-H29 PolarHBondContact O-N 3.19Å; H29-C31 VanDerWaalsContact C-N 3.31Å; H29-C31 PolarHBondContact O-N 2.69Å
30F75.2Confident83.9Confident187 Ų18744 Ų4482%0.8222%0.216SC*.Hα-helixtrans-72.3-25.7-179.4-64.3-69.3000113.4K26 K27 R28K26-F30 WeakPolarHBondContact O-CD2 3.36Å; K26-F30 WeakPolarHBondContact O-CE2 3.31Å; K27-F30 PolarHBondContact O-N 3.13Å; K27-F30 VanDerWaalsContact O-N 3.14Å; R28-F30 VanDerWaalsContact C-N 3.34Å; R28-F30 PolarHBondContact O-N 3.08Å
31C79.2Confident84Confident41 Ų4149.8 Ų49.828%0.27725%0.245SC..THydrogen-bonded Turntrans-108.310-175.968.30000114.2K27 R28 H29 G33 E50K27-C31 PolarHBondContact O-N 2.82Å; K27-C31 PolarHBondContact O-SG 3.28Å; R28-C31 PolarHBondContact O-N 3.17Å; R28-C31 PolarHBondContact O-SG 2.75Å; H29-C31 VanDerWaalsContact C-N 3.31Å; H29-C31 PolarHBondContact O-N 2.69Å; C31-G33 PolarHBondContact O-N 2.96Å; C31-G33 VanDerWaalsContact O-N 3.08Å; C31-E50 WeakPolarHBondContact O-CB 3.35Å; C31-E50 PolarHBondContact O-N 2.98Å
32N84.9Confident84.2Confident47 Ų4751 Ų5125%0.25124%0.243SC..THydrogen-bonded Turntrans48.235.4-176.5-165.831.8000113.5S16 R28 E50 R72S16-N32 PolarHBondContact OG-OD1 3.22Å; R28-N32 PolarHBondContact O-N 3.08Å; N32-E50 HydrophobicContact CB-CB 4.31Å; N32-E50 VanDerWaalsContact ND2-CD 3.34Å; N32-E50 PolarHBondContact ND2-OE1 2.77Å; N32-E50 PolarHBondContact ND2-OE2 3.32Å; N32-R72 PolarHBondContact ND2-NH2 3.38Å; N32-R72 PolarHBondContact OD1-NH1 2.8Å; N32-R72 PolarHBondContact OD1-NH2 3.09Å
33G89.2Confident84.4Confident0 Ų051.7 Ų51.70%025%0.247CC..  trans-90.6-168.8-168.100000115.1S16 R28 C31 V48S16-G33 PolarHBondContact N-O 3.41Å; S16-G33 VanDerWaalsContact N-O 3.09Å; R28-G33 WeakPolarHBondContact CD-O 3.1Å; R28-G33 VanDerWaalsContact CG-C 3.43Å; R28-G33 WeakPolarHBondContact CG-O 3.18Å; R28-G33 PolarHBondContact O-N 3.39Å; R28-G33 VanDerWaalsContact O-N 3.1Å; C31-G33 PolarHBondContact O-N 2.96Å; C31-G33 VanDerWaalsContact O-N 3.08Å; G33-V48 CarbonylContact C-O 3.56Å; G33-V48 WeakPolarHBondContact CA-O 3.32Å
34I91.6Very high85Confident0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-124.4137.3170.1-58.5174.7000108.3A13 F36 V48 L53 R72 I75A13-I34 HydrophobicContact CB-CG2 4.26Å; I34-F36 HydrophobicContact CB-CE2 3.89Å; I34-F36 HydrophobicContact CB-CZ 4.05Å; I34-F36 HydrophobicContact CD1-CZ 4.49Å; I34-F36 HydrophobicContact CG2-CD1 4.46Å; I34-F36 HydrophobicContact CG2-CD2 4.16Å; I34-F36 HydrophobicContact CG2-CE1 3.97Å; I34-F36 HydrophobicContact CG2-CE2 3.63Å; I34-F36 HydrophobicContact CG2-CZ 3.52Å; I34-V48 PolarHBondContact N-O 3.07Å; I34-V48 PolarHBondContact O-N 3.42Å; I34-L53 HydrophobicContact CB-CD1 4.23Å; I34-L53 HydrophobicContact CD1-CD1 4.06Å; I34-L53 HydrophobicContact CG1-CD1 3.85Å; I34-R72 HydrophobicContact CD1-CG 4.22Å; I34-I75 HydrophobicContact CD1-CG2 4.09Å
35S92.2Very high85.8Confident0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-103.5126.2169.1-58.30000110.1A13 I14 R28 E46 T47A13-S35 CarbonylContact C-O 3.53Å; A13-S35 WeakPolarHBondContact CA-O 3.3Å; I14-S35 PolarHBondContact N-O 3.38Å; I14-S35 PolarHBondContact O-N 3.29Å; R28-S35 WeakPolarHBondContact CD-OG 3.44Å; R28-S35 PolarHBondContact NH1-OG 3.32Å; S35-E46 CarbonylContact C-O 3.5Å; S35-E46 WeakPolarHBondContact CA-O 3.36Å; S35-T47 PolarHBondContact OG-OG1 3.48Å
36F92.5Very high86.4Confident1 Ų147.5 Ų47.50%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-104.1136.6174.8-59.2-89000109.4T12 A13 I34 F38 V45 E46 V48 L53 I75 F79 W110 S112T12-F36 CarbonylContact O-C 3.52Å; T12-F36 WeakPolarHBondContact O-CA 3.46Å; A13-F36 HydrophobicContact CB-CD1 3.76Å; A13-F36 HydrophobicContact CB-CE1 3.85Å; I34-F36 HydrophobicContact CB-CE2 3.89Å; I34-F36 HydrophobicContact CB-CZ 4.05Å; I34-F36 HydrophobicContact CD1-CZ 4.49Å; I34-F36 HydrophobicContact CG2-CD1 4.46Å; I34-F36 HydrophobicContact CG2-CD2 4.16Å; I34-F36 HydrophobicContact CG2-CE1 3.97Å; I34-F36 HydrophobicContact CG2-CE2 3.63Å; I34-F36 HydrophobicContact CG2-CZ 3.52Å; F36-F38 HydrophobicContact CB-CE2 3.75Å; F36-F38 HydrophobicContact CB-CZ 3.92Å; F36-V45 CarbonylContact O-C 3.51Å; F36-V45 VanDerWaalsContact O-CA 3.29Å; F36-V45 WeakPolarHBondContact O-CA 3.45Å; F36-V45 WeakPolarHBondContact O-CG2 3.39Å; F36-E46 HydrophobicContact CB-CB 4.43Å; F36-E46 PolarHBondContact N-O 2.99Å; F36-E46 PolarHBondContact O-N 3.44Å; F36-V48 HydrophobicContact CD2-CG2 4.3Å; F36-V48 HydrophobicContact CE2-CG2 4.25Å; F36-L53 HydrophobicContact CE2-CD2 4.41Å; F36-I75 HydrophobicContact CE1-CG2 4.45Å; F36-I75 HydrophobicContact CZ-CG2 3.85Å; F36-F79 HydrophobicContact CD1-CD2 4.15Å; F36-F79 HydrophobicContact CD1-CE2 4.33Å; F36-F79 HydrophobicContact CE1-CD2 4.15Å; F36-W110 AromaticContact CE1-NE1 3.55Å; F36-W110 AromaticContact CE2-CZ2 3.71Å; F36-W110 HydrophobicContact CE2-CZ2 3.71Å; F36-W110 AromaticContact CE2-NE1 3.83Å; F36-W110 AromaticContact CZ-CE2 3.74Å; F36-W110 AromaticContact CZ-CZ2 3.87Å; F36-W110 HydrophobicContact CZ-CZ2 3.87Å; F36-W110 AromaticContact CZ-NE1 3.28Å; F36-W110 VanDerWaalsContact CZ-NE1 3.28Å; F36-S112 WeakPolarHBondContact CB-OG 3.46Å; F36-S112 WeakPolarHBondContact CG-OG 3.48Å
37F91.9Very high86.9Confident7 Ų744.2 Ų44.23%0.03121%0.213CC..EExtended strand (participates in β ladder)trans-127.2134.1-180-58.6-91.1000108.9C11 T12 I14 F43 W44 V45 V121 H125C11-F37 CarbonylContact C-O 3.53Å; C11-F37 WeakPolarHBondContact CA-O 3.16Å; T12-F37 PolarHBondContact N-O 3.07Å; T12-F37 PolarHBondContact O-N 3.35Å; I14-F37 HydrophobicContact CB-CE2 4.14Å; I14-F37 HydrophobicContact CD1-CD2 3.93Å; I14-F37 HydrophobicContact CD1-CE2 3.36Å; I14-F37 HydrophobicContact CD1-CZ 4.09Å; I14-F37 HydrophobicContact CG1-CD2 4.01Å; I14-F37 HydrophobicContact CG1-CE2 3.64Å; F37-F43 HydrophobicContact CB-CE2 3.96Å; F37-F43 HydrophobicContact CB-CZ 4.26Å; F37-F43 HydrophobicContact CD1-CE1 4.24Å; F37-F43 AromaticContact CD1-CE2 3.97Å; F37-F43 HydrophobicContact CD1-CE2 3.97Å; F37-F43 AromaticContact CD1-CZ 3.39Å; F37-F43 HydrophobicContact CD1-CZ 3.39Å; F37-F43 HydrophobicContact CE1-CZ 4.14Å; F37-F43 HydrophobicContact CG-CE2 4.43Å; F37-F43 HydrophobicContact CG-CZ 4.24Å; F37-W44 WeakPolarHBondContact CA-O 2.98Å; F37-V45 HydrophobicContact CD1-CB 4.11Å; F37-V45 HydrophobicContact CD1-CG2 3.54Å; F37-V45 HydrophobicContact CE1-CB 4.26Å; F37-V45 HydrophobicContact CE1-CG2 3.37Å; F37-V45 HydrophobicContact CG-CG2 4.33Å; F37-V45 HydrophobicContact CZ-CG2 3.97Å; F37-V121 HydrophobicContact CD1-CG1 4.48Å; F37-V121 HydrophobicContact CE1-CG1 3.72Å; F37-H125 HydrophobicContact CD1-CB 4.47Å; F37-H125 HydrophobicContact CE1-CB 4.27Å; F37-H125 AromaticContact CE1-CD2 3.68Å; F37-H125 AromaticContact CE1-CE1 4Å; F37-H125 AromaticContact CE1-CG 3.67Å; F37-H125 AromaticContact CE1-ND1 3.88Å; F37-H125 AromaticContact CE1-NE2 3.9Å; F37-H125 AromaticContact CZ-CD2 3.95Å; F37-H125 AromaticContact CZ-CE1 3.52Å; F37-H125 AromaticContact CZ-CG 3.98Å; F37-H125 AromaticContact CZ-ND1 3.73Å; F37-H125 AromaticContact CZ-NE2 3.67Å
38F91.7Very high87.7Confident0 Ų038.7 Ų38.70%019%0.189CC..EExtended strand (participates in β ladder)trans-127.8124.3177.8-55.4-78.2000108.9I9 I10 C11 F36 F43 W44 V97 F99 S112 A114I9-F38 HydrophobicContact CG2-CB 4.12Å; I9-F38 HydrophobicContact CG2-CD1 4.37Å; I10-F38 WeakPolarHBondContact O-CA 3.33Å; C11-F38 HydrophobicContact CB-CD1 3.98Å; C11-F38 HydrophobicContact CB-CE1 3.98Å; F36-F38 HydrophobicContact CB-CE2 3.75Å; F36-F38 HydrophobicContact CB-CZ 3.92Å; F38-F43 WeakPolarHBondContact O-CA 3.45Å; F38-F43 WeakPolarHBondContact O-CD2 3.27Å; F38-W44 HydrophobicContact CB-CB 4.46Å; F38-W44 PolarHBondContact N-O 3.29Å; F38-W44 PolarHBondContact O-N 3.44Å; F38-V97 HydrophobicContact CD1-CB 4.39Å; F38-V97 HydrophobicContact CD1-CG2 3.74Å; F38-V97 HydrophobicContact CE1-CB 3.8Å; F38-V97 HydrophobicContact CE1-CG1 4.19Å; F38-V97 HydrophobicContact CE1-CG2 3.66Å; F38-V97 HydrophobicContact CG-CG2 4.22Å; F38-V97 HydrophobicContact CZ-CB 4.03Å; F38-V97 HydrophobicContact CZ-CG2 4.08Å; F38-F99 HydrophobicContact CE1-CE2 4.47Å; F38-F99 HydrophobicContact CE1-CZ 4.21Å; F38-S112 WeakPolarHBondContact CE2-OG 3.4Å; F38-A114 HydrophobicContact CD2-CB 3.44Å; F38-A114 VanDerWaalsContact CD2-CB 3.44Å; F38-A114 HydrophobicContact CE2-CB 3.69Å
39L89.6Confident88.4Confident53 Ų5340.3 Ų40.328%0.27720%0.2SC..EExtended strand (participates in β ladder)trans-124.9120.6179.9178.766000109.5I9 I10 K42 F43 V126I9-L39 CarbonylContact C-O 3.6Å; I9-L39 WeakPolarHBondContact CA-O 3.42Å; I10-L39 HydrophobicContact CB-CB 4.24Å; I10-L39 HydrophobicContact CD1-CD2 4.29Å; I10-L39 PolarHBondContact N-O 3.26Å; I10-L39 PolarHBondContact O-N 2.87Å; L39-K42 WeakPolarHBondContact CA-O 3.42Å; L39-F43 HydrophobicContact CB-CD2 4.06Å; L39-F43 HydrophobicContact CD1-CB 4.12Å; L39-F43 HydrophobicContact CD1-CD2 4.06Å; L39-F43 HydrophobicContact CD1-CG 4.5Å; L39-V126 HydrophobicContact CD2-CG1 4.42Å
40K87.1Confident89.3Confident87 Ų8739 Ų3938%0.37819%0.194SC..SBendtrans-138-106.6171.3-166-167.3-165.2163.40108.1I9 K42 W44I9-K40 HydrophobicContact CD1-CD 4.22Å; I9-K40 HydrophobicContact CG1-CB 4.02Å; I9-K40 HydrophobicContact CG1-CD 3.81Å; I9-K40 HydrophobicContact CG1-CG 4.04Å; K40-K42 PolarHBondContact N-O 2.79Å; K40-W44 HydrophobicContact CB-CZ3 4.43Å
41D83.5Confident90.2Very high144 Ų14434.2 Ų34.277%0.7718%0.175SC*.SBendtrans-84.3-20.7173.3-52.3-51.8000112.4
42K87.7Confident90.9Very high94 Ų9436.3 Ų36.341%0.40918%0.18SC..SBendtrans-132.8-177.1167-48.6-178.6176.9-174.10109.4L39 K40 W44 T92L39-K42 WeakPolarHBondContact CA-O 3.42Å; K40-K42 PolarHBondContact N-O 2.79Å; K42-W44 HydrophobicContact CB-CD2 4.47Å; K42-W44 HydrophobicContact CB-CE3 4.29Å; K42-W44 HydrophobicContact CB-CH2 3.45Å; K42-W44 VanDerWaalsContact CB-CH2 3.45Å; K42-W44 HydrophobicContact CB-CZ2 3.63Å; K42-W44 HydrophobicContact CB-CZ3 3.8Å; K42-W44 HydrophobicContact CD-CH2 4.34Å; K42-W44 HydrophobicContact CD-CZ2 3.88Å; K42-W44 HydrophobicContact CG-CH2 3.98Å; K42-W44 HydrophobicContact CG-CZ2 4.03Å; K42-W44 WeakPolarHBondContact O-CZ3 3.33Å; K42-T92 PolarHBondContact NZ-O 3.27Å
43F90.1Very high91.4Very high16 Ų1634.1 Ų34.17%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-118.8130.4177.3-173.8-127.6000109.3F37 F38 L39 P117 V121 L122 H125 V126F37-F43 HydrophobicContact CB-CE2 3.96Å; F37-F43 HydrophobicContact CB-CZ 4.26Å; F37-F43 HydrophobicContact CD1-CE1 4.24Å; F37-F43 AromaticContact CD1-CE2 3.97Å; F37-F43 HydrophobicContact CD1-CE2 3.97Å; F37-F43 AromaticContact CD1-CZ 3.39Å; F37-F43 HydrophobicContact CD1-CZ 3.39Å; F37-F43 HydrophobicContact CE1-CZ 4.14Å; F37-F43 HydrophobicContact CG-CE2 4.43Å; F37-F43 HydrophobicContact CG-CZ 4.24Å; F38-F43 WeakPolarHBondContact O-CA 3.45Å; F38-F43 WeakPolarHBondContact O-CD2 3.27Å; L39-F43 HydrophobicContact CB-CD2 4.06Å; L39-F43 HydrophobicContact CD1-CB 4.12Å; L39-F43 HydrophobicContact CD1-CD2 4.06Å; L39-F43 HydrophobicContact CD1-CG 4.5Å; F43-P117 HydrophobicContact CD1-CG 3.42Å; F43-P117 VanDerWaalsContact CD1-CG 3.42Å; F43-P117 HydrophobicContact CE1-CG 3.87Å; F43-P117 HydrophobicContact CG-CG 4.36Å; F43-P117 WeakPolarHBondContact O-CD 3.45Å; F43-V121 HydrophobicContact CE1-CG1 4.05Å; F43-L122 HydrophobicContact CB-CD1 3.64Å; F43-L122 HydrophobicContact CD1-CB 4.17Å; F43-L122 HydrophobicContact CD1-CD1 3.46Å; F43-L122 VanDerWaalsContact CD1-CD1 3.46Å; F43-L122 HydrophobicContact CD1-CG 4.44Å; F43-L122 HydrophobicContact CE1-CD1 4.3Å; F43-L122 HydrophobicContact CG-CD1 3.77Å; F43-H125 HydrophobicContact CE1-CB 4.3Å; F43-H125 HydrophobicContact CZ-CB 3.76Å; F43-V126 HydrophobicContact CD1-CG2 4.06Å; F43-V126 HydrophobicContact CD2-CG2 3.79Å; F43-V126 HydrophobicContact CE1-CG2 3.96Å; F43-V126 HydrophobicContact CE2-CG2 3.66Å; F43-V126 HydrophobicContact CG-CG2 3.98Å; F43-V126 HydrophobicContact CZ-CG2 3.74Å
44W92.5Very high91.7Very high2 Ų235.1 Ų35.11%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-125.2146.6176.1-60.5-100.8000109.8F37 F38 K40 K42 V90 C95 A114 V115F37-W44 WeakPolarHBondContact CA-O 2.98Å; F38-W44 HydrophobicContact CB-CB 4.46Å; F38-W44 PolarHBondContact N-O 3.29Å; F38-W44 PolarHBondContact O-N 3.44Å; K40-W44 HydrophobicContact CB-CZ3 4.43Å; K42-W44 HydrophobicContact CB-CD2 4.47Å; K42-W44 HydrophobicContact CB-CE3 4.29Å; K42-W44 HydrophobicContact CB-CH2 3.45Å; K42-W44 VanDerWaalsContact CB-CH2 3.45Å; K42-W44 HydrophobicContact CB-CZ2 3.63Å; K42-W44 HydrophobicContact CB-CZ3 3.8Å; K42-W44 HydrophobicContact CD-CH2 4.34Å; K42-W44 HydrophobicContact CD-CZ2 3.88Å; K42-W44 HydrophobicContact CG-CH2 3.98Å; K42-W44 HydrophobicContact CG-CZ2 4.03Å; K42-W44 WeakPolarHBondContact O-CZ3 3.33Å; W44-V90 HydrophobicContact CH2-CG1 3.39Å; W44-V90 HydrophobicContact CZ2-CG1 3.26Å; W44-V90 HydrophobicContact CZ3-CG1 4.4Å; W44-C95 HydrophobicContact CB-CB 3.85Å; W44-C95 HydrophobicContact CD2-CB 3.51Å; W44-C95 HydrophobicContact CE3-CB 4.01Å; W44-C95 HydrophobicContact CG-CB 3.41Å; W44-C95 VanDerWaalsContact CG-CB 3.41Å; W44-A114 HydrophobicContact CB-CB 3.63Å; W44-V115 CarbonylContact C-O 3.52Å; W44-V115 VanDerWaalsContact CA-O 3.27Å; W44-V115 WeakPolarHBondContact CA-O 3.49Å
45V92.7Very high92Very high5 Ų539.3 Ų39.33%0.0319%0.192CC..EExtended strand (participates in β ladder)trans-131.6145174.875.80000110.8E24 F36 F37 A114 V115 P117 V121E24-V45 HydrophobicContact CG-CG1 4.29Å; F36-V45 CarbonylContact O-C 3.51Å; F36-V45 VanDerWaalsContact O-CA 3.29Å; F36-V45 WeakPolarHBondContact O-CA 3.45Å; F36-V45 WeakPolarHBondContact O-CG2 3.39Å; F37-V45 HydrophobicContact CD1-CB 4.11Å; F37-V45 HydrophobicContact CD1-CG2 3.54Å; F37-V45 HydrophobicContact CE1-CB 4.26Å; F37-V45 HydrophobicContact CE1-CG2 3.37Å; F37-V45 HydrophobicContact CG-CG2 4.33Å; F37-V45 HydrophobicContact CZ-CG2 3.97Å; V45-A114 WeakPolarHBondContact O-CA 3.27Å; V45-V115 PolarHBondContact N-O 2.88Å; V45-V115 PolarHBondContact O-N 3.21Å; V45-P117 HydrophobicContact CB-CB 4.29Å; V45-P117 HydrophobicContact CG1-CB 3.57Å; V45-P117 HydrophobicContact CG1-CG 4.33Å; V45-V121 HydrophobicContact CG2-CG1 4.36Å
46E93.1Very high92.2Very high20 Ų2041.2 Ų41.29%0.09320%0.2CC..EExtended strand (participates in β ladder)trans-128.3135.9163.3-163.9-178.1-168.800108.3S35 F36 V48 R56 S112 D113 A114S35-E46 CarbonylContact C-O 3.5Å; S35-E46 WeakPolarHBondContact CA-O 3.36Å; F36-E46 HydrophobicContact CB-CB 4.43Å; F36-E46 PolarHBondContact N-O 2.99Å; F36-E46 PolarHBondContact O-N 3.44Å; E46-V48 HydrophobicContact CB-CG2 4.5Å; E46-V48 HydrophobicContact CG-CG2 3.59Å; E46-V48 WeakPolarHBondContact OE1-CG2 3.37Å; E46-R56 IonicContact OE1-CZ 3.44Å; E46-R56 IonicContact OE1-NH1 2.75Å; E46-R56 PolarHBondContact OE1-NH1 3.44Å; E46-R56 IonicContact OE1-NH2 3.19Å; E46-R56 PolarHBondContact OE1-NH2 3.43Å; E46-R56 IonicContact OE2-NH1 3.68Å; E46-R56 PolarHBondContact OE2-NH1 2.9Å; E46-S112 WeakPolarHBondContact OE2-CA 3.4Å; E46-S112 WeakPolarHBondContact OE2-CB 3.39Å; E46-S112 PolarHBondContact OE2-OG 3.4Å; E46-D113 WeakPolarHBondContact CG-O 3.32Å; E46-D113 PolarHBondContact OE2-N 2.91Å; E46-A114 HydrophobicContact CB-CB 4Å
47T91.9Very high92.4Very high31 Ų3141.2 Ų41.219%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-119.4114.7166-630000108R28 S35R28-T47 HydrophobicContact CB-CG2 3.72Å; R28-T47 HydrophobicContact CG-CG2 4.3Å; S35-T47 PolarHBondContact OG-OG1 3.48Å
48V93.3Very high92.6Very high0 Ų045.4 Ų45.40%022%0.218CC..EExtended strand (participates in β ladder)trans-109127.3-174.6-167.60000108.7G33 I34 F36 E46 E52 L53 W110G33-V48 CarbonylContact C-O 3.56Å; G33-V48 WeakPolarHBondContact CA-O 3.32Å; I34-V48 PolarHBondContact N-O 3.07Å; I34-V48 PolarHBondContact O-N 3.42Å; F36-V48 HydrophobicContact CD2-CG2 4.3Å; F36-V48 HydrophobicContact CE2-CG2 4.25Å; E46-V48 HydrophobicContact CB-CG2 4.5Å; E46-V48 HydrophobicContact CG-CG2 3.59Å; E46-V48 WeakPolarHBondContact OE1-CG2 3.37Å; V48-E52 HydrophobicContact CG1-CB 3.71Å; V48-E52 HydrophobicContact CG1-CG 3.64Å; V48-L53 HydrophobicContact CB-CD2 3.83Å; V48-L53 HydrophobicContact CB-CG 3.96Å; V48-L53 HydrophobicContact CG1-CB 4.45Å; V48-L53 HydrophobicContact CG1-CD2 3.74Å; V48-L53 HydrophobicContact CG1-CG 3.68Å; V48-W110 HydrophobicContact CG1-CH2 4.49Å
49S92.3Very high92.8Very high33 Ų3350.5 Ų50.523%0.23125%0.249CC..  trans-68.3158.5176.666.60000112.4E51 E52 L53S49-E51 VanDerWaalsContact C-N 3.26Å; S49-E51 PolarHBondContact O-N 2.75Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.17Å; S49-E52 VanDerWaalsContact OG-CB 3.28Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 PolarHBondContact OG-N 3.26Å; S49-L53 WeakPolarHBondContact O-CB 3.31Å; S49-L53 VanDerWaalsContact O-CG 3.25Å; S49-L53 WeakPolarHBondContact O-CG 3.33Å; S49-L53 PolarHBondContact O-N 3.33Å
50E93.1Very high93.1Very high52 Ų5250.9 Ų50.924%0.24325%0.251CS..Hα-helixtrans-56.4-39.3175.9-176.1169-150.600112.9C31 N32 L53 F54 L71C31-E50 WeakPolarHBondContact O-CB 3.35Å; C31-E50 PolarHBondContact O-N 2.98Å; N32-E50 HydrophobicContact CB-CB 4.31Å; N32-E50 VanDerWaalsContact ND2-CD 3.34Å; N32-E50 PolarHBondContact ND2-OE1 2.77Å; N32-E50 PolarHBondContact ND2-OE2 3.32Å; E50-L53 PolarHBondContact O-N 3.45Å; E50-F54 WeakPolarHBondContact O-CB 3.25Å; E50-F54 PolarHBondContact O-N 2.84Å; E50-L71 HydrophobicContact CG-CD2 4.16Å
51E93.6Very high93.5Very high86 Ų8646.8 Ų46.840%0.40223%0.233SC..Hα-helixtrans-64.5-46.4176.6-175.657-149.200111.5S49 F54 Q55 R68S49-E51 VanDerWaalsContact C-N 3.26Å; S49-E51 PolarHBondContact O-N 2.75Å; E51-F54 PolarHBondContact O-N 3.03Å; E51-Q55 WeakPolarHBondContact O-CG 3.41Å; E51-Q55 PolarHBondContact O-N 3.34Å; E51-Q55 PolarHBondContact OE1-NE2 2.85Å; E51-R68 IonicContact OE1-NH2 2.71Å; E51-R68 PolarHBondContact OE1-NH2 3.44Å; E51-R68 IonicContact OE2-CZ 3.18Å; E51-R68 IonicContact OE2-NH1 2.73Å; E51-R68 PolarHBondContact OE2-NH1 2.84Å; E51-R68 IonicContact OE2-NH2 2.67Å; E51-R68 PolarHBondContact OE2-NH2 2.82Å
52E95Very high94.1Very high85 Ų8545 Ų4540%0.39723%0.23SC..Hα-helixtrans-67.6-37.9179.4-173-179.7178.900111.9V48 S49 F54 Q55 R56V48-E52 HydrophobicContact CG1-CB 3.71Å; V48-E52 HydrophobicContact CG1-CG 3.64Å; S49-E52 PolarHBondContact O-N 3.23Å; S49-E52 VanDerWaalsContact O-N 3.17Å; S49-E52 VanDerWaalsContact OG-CB 3.28Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 PolarHBondContact OG-N 3.26Å; E52-F54 VanDerWaalsContact C-N 3.3Å; E52-F54 PolarHBondContact O-N 2.84Å; E52-Q55 PolarHBondContact O-N 3.33Å; E52-R56 WeakPolarHBondContact O-CB 3.45Å; E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 IonicContact OE1-CZ 3.41Å; E52-R56 IonicContact OE1-NH2 3.79Å; E52-R56 PolarHBondContact OE1-NH2 2.68Å
53L95.6Very high94.4Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-55.9-47.4171.6-74.9169.5000110.3I34 F36 V48 S49 E50 L57 L71 I75 W110I34-L53 HydrophobicContact CB-CD1 4.23Å; I34-L53 HydrophobicContact CD1-CD1 4.06Å; I34-L53 HydrophobicContact CG1-CD1 3.85Å; F36-L53 HydrophobicContact CE2-CD2 4.41Å; V48-L53 HydrophobicContact CB-CD2 3.83Å; V48-L53 HydrophobicContact CB-CG 3.96Å; V48-L53 HydrophobicContact CG1-CB 4.45Å; V48-L53 HydrophobicContact CG1-CD2 3.74Å; V48-L53 HydrophobicContact CG1-CG 3.68Å; S49-L53 WeakPolarHBondContact O-CB 3.31Å; S49-L53 VanDerWaalsContact O-CG 3.25Å; S49-L53 WeakPolarHBondContact O-CG 3.33Å; S49-L53 PolarHBondContact O-N 3.33Å; E50-L53 PolarHBondContact O-N 3.45Å; L53-L57 VanDerWaalsContact O-CB 3.27Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 PolarHBondContact O-N 2.68Å; L53-L71 HydrophobicContact CB-CD1 4.44Å; L53-L71 HydrophobicContact CB-CD2 3.87Å; L53-L71 HydrophobicContact CB-CG 4.32Å; L53-I75 HydrophobicContact CB-CD1 3.89Å; L53-I75 HydrophobicContact CD2-CD1 3.56Å; L53-I75 HydrophobicContact CG-CD1 4.19Å; L53-W110 HydrophobicContact CD2-CH2 3.35Å; L53-W110 HydrophobicContact CD2-CZ2 3.67Å; L53-W110 HydrophobicContact CD2-CZ3 4.08Å
54F95.7Very high94.6Very high22 Ų2247.9 Ų47.910%0.09624%0.244CC..Hα-helixtrans-63.9-50.4-178.9-173.1-109.3000112E50 E51 E52 L57 K58 F66 R68 L71E50-F54 WeakPolarHBondContact O-CB 3.25Å; E50-F54 PolarHBondContact O-N 2.84Å; E51-F54 PolarHBondContact O-N 3.03Å; E52-F54 VanDerWaalsContact C-N 3.3Å; E52-F54 PolarHBondContact O-N 2.84Å; F54-L57 PolarHBondContact O-N 3.17Å; F54-K58 HydrophobicContact CD1-CD 4.17Å; F54-K58 HydrophobicContact CE1-CD 3.6Å; F54-K58 HydrophobicContact CE2-CD 4.32Å; F54-K58 HydrophobicContact CZ-CD 3.69Å; F54-K58 HydrophobicContact CZ-CG 4.5Å; F54-K58 WeakPolarHBondContact O-CG 3.29Å; F54-K58 PolarHBondContact O-N 3.49Å; F54-K58 VanDerWaalsContact O-N 3.11Å; F54-F66 HydrophobicContact CE2-CB 4.22Å; F54-F66 WeakPolarHBondContact CE2-O 3.48Å; F54-R68 HydrophobicContact CD2-CG 3.81Å; F54-R68 HydrophobicContact CE2-CG 3.78Å; F54-R68 HydrophobicContact CG-CG 4.25Å; F54-R68 HydrophobicContact CZ-CG 4.2Å; F54-L71 HydrophobicContact CB-CD1 4.44Å; F54-L71 HydrophobicContact CB-CD2 3.79Å; F54-L71 HydrophobicContact CD2-CD1 4.29Å; F54-L71 HydrophobicContact CD2-CD2 4.29Å
55Q96.2Very high94.6Very high87 Ų8756.1 Ų56.141%0.40728%0.282SS..Hα-helixtrans-64.3-42.6-179.9-64.6-56.9-24.900111.7E51 E52 K58 T59E51-Q55 WeakPolarHBondContact O-CG 3.41Å; E51-Q55 PolarHBondContact O-N 3.34Å; E51-Q55 PolarHBondContact OE1-NE2 2.85Å; E52-Q55 PolarHBondContact O-N 3.33Å; Q55-K58 PolarHBondContact O-N 3.02Å; Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 2.71Å; Q55-T59 PolarHBondContact O-OG1 3.41Å
56R96.8Very high94.6Very high41 Ų4156.6 Ų56.616%0.15528%0.284CS..Hα-helixtrans-66.7-44.1179.8-166.7-176.7-60.2179.7-0.5111.3E46 E52 K58 T59 L60 W110 T111E46-R56 IonicContact OE1-CZ 3.44Å; E46-R56 IonicContact OE1-NH1 2.75Å; E46-R56 PolarHBondContact OE1-NH1 3.44Å; E46-R56 IonicContact OE1-NH2 3.19Å; E46-R56 PolarHBondContact OE1-NH2 3.43Å; E46-R56 IonicContact OE2-NH1 3.68Å; E46-R56 PolarHBondContact OE2-NH1 2.9Å; E52-R56 WeakPolarHBondContact O-CB 3.45Å; E52-R56 PolarHBondContact O-N 2.96Å; E52-R56 IonicContact OE1-CZ 3.41Å; E52-R56 IonicContact OE1-NH2 3.79Å; E52-R56 PolarHBondContact OE1-NH2 2.68Å; R56-K58 VanDerWaalsContact C-N 3.34Å; R56-K58 PolarHBondContact O-N 2.73Å; R56-T59 PolarHBondContact O-N 3.29Å; R56-L60 HydrophobicContact CG-CD1 3.95Å; R56-L60 HydrophobicContact CG-CG 4.3Å; R56-L60 WeakPolarHBondContact O-CB 3.41Å; R56-L60 VanDerWaalsContact O-CG 3.32Å; R56-L60 WeakPolarHBondContact O-CG 3.35Å; R56-L60 PolarHBondContact O-N 2.86Å; R56-W110 HydrophobicContact CB-CH2 4.36Å; R56-W110 HydrophobicContact CB-CZ3 4.04Å; R56-W110 HydrophobicContact CG-CH2 4.38Å; R56-W110 HydrophobicContact CG-CZ3 4.08Å; R56-T111 PolarHBondContact NH1-O 3.31Å
57L96.3Very high94.6Very high0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-60.8-43.6177.8-171.769.9000111.6L53 F54 L60 N61 F66 L71 T74 I75 I108 W110L53-L57 VanDerWaalsContact O-CB 3.27Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 PolarHBondContact O-N 2.68Å; F54-L57 PolarHBondContact O-N 3.17Å; L57-L60 PolarHBondContact O-N 2.91Å; L57-N61 WeakPolarHBondContact O-CB 3.28Å; L57-N61 PolarHBondContact O-N 3.23Å; L57-N61 VanDerWaalsContact O-N 3.1Å; L57-N61 PolarHBondContact O-ND2 2.9Å; L57-F66 HydrophobicContact CD1-CZ 4.48Å; L57-F66 HydrophobicContact CD2-CD1 3.59Å; L57-F66 HydrophobicContact CD2-CD2 4.24Å; L57-F66 HydrophobicContact CD2-CE1 3.72Å; L57-F66 HydrophobicContact CD2-CE2 4.35Å; L57-F66 HydrophobicContact CD2-CG 3.86Å; L57-F66 HydrophobicContact CD2-CZ 4.1Å; L57-F66 HydrophobicContact CG-CD1 4.28Å; L57-F66 HydrophobicContact CG-CD2 4.21Å; L57-F66 HydrophobicContact CG-CE1 4.09Å; L57-F66 HydrophobicContact CG-CE2 4.01Å; L57-F66 HydrophobicContact CG-CG 4.33Å; L57-F66 HydrophobicContact CG-CZ 3.93Å; L57-L71 HydrophobicContact CB-CD1 4.05Å; L57-L71 HydrophobicContact CD2-CD1 3.56Å; L57-L71 HydrophobicContact CG-CD1 4.45Å; L57-T74 HydrophobicContact CD2-CG2 4.12Å; L57-I75 HydrophobicContact CD1-CG1 4.16Å; L57-I75 HydrophobicContact CD2-CG1 4.25Å; L57-I108 HydrophobicContact CD1-CG2 4.19Å; L57-W110 HydrophobicContact CD1-CE3 4.31Å
58K96.3Very high94.6Very high95 Ų9564.6 Ų64.641%0.41332%0.315SS..Hα-helixtrans-62-42.3174.4-75.7-174.769173.50112.6F54 Q55 R56 N61 F66F54-K58 HydrophobicContact CD1-CD 4.17Å; F54-K58 HydrophobicContact CE1-CD 3.6Å; F54-K58 HydrophobicContact CE2-CD 4.32Å; F54-K58 HydrophobicContact CZ-CD 3.69Å; F54-K58 HydrophobicContact CZ-CG 4.5Å; F54-K58 WeakPolarHBondContact O-CG 3.29Å; F54-K58 PolarHBondContact O-N 3.49Å; F54-K58 VanDerWaalsContact O-N 3.11Å; Q55-K58 PolarHBondContact O-N 3.02Å; R56-K58 VanDerWaalsContact C-N 3.34Å; R56-K58 PolarHBondContact O-N 2.73Å; K58-N61 CarbonylContact O-C 3.55Å; K58-N61 VanDerWaalsContact O-C 3.31Å; K58-N61 PolarHBondContact O-N 3.17Å; K58-F66 HydrophobicContact CG-CD2 3.99Å
59T96.5Very high94.4Very high108 Ų10871.1 Ų71.166%0.66335%0.35SS*.Hα-helixtrans-66.5-41.4-178.9-58.70000111.5Q55 R56 N61Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 2.71Å; Q55-T59 PolarHBondContact O-OG1 3.41Å; R56-T59 PolarHBondContact O-N 3.29Å; T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.81Å
60L95.8Very high94.4Very high61 Ų6172.5 Ų72.532%0.31936%0.357SS..Hα-helixtrans-71.8-22.1178-69.1174000112.9R56 L57 W110R56-L60 HydrophobicContact CG-CD1 3.95Å; R56-L60 HydrophobicContact CG-CG 4.3Å; R56-L60 WeakPolarHBondContact O-CB 3.41Å; R56-L60 VanDerWaalsContact O-CG 3.32Å; R56-L60 WeakPolarHBondContact O-CG 3.35Å; R56-L60 PolarHBondContact O-N 2.86Å; L57-L60 PolarHBondContact O-N 2.91Å; L60-W110 HydrophobicContact CD1-CE3 4.39Å
61N96.7Very high94.4Very high0 Ų070 Ų700%035%0.345CS..  trans-13761.6-171.4-55.7-78.8000111.7L57 K58 T59 Q63 F64 F66 I108 T109L57-N61 WeakPolarHBondContact O-CB 3.28Å; L57-N61 PolarHBondContact O-N 3.23Å; L57-N61 VanDerWaalsContact O-N 3.1Å; L57-N61 PolarHBondContact O-ND2 2.9Å; K58-N61 CarbonylContact O-C 3.55Å; K58-N61 VanDerWaalsContact O-C 3.31Å; K58-N61 PolarHBondContact O-N 3.17Å; T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.81Å; N61-Q63 VanDerWaalsContact CA-OE1 3.3Å; N61-Q63 PolarHBondContact O-N 2.85Å; N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 3.17Å; N61-F64 VanDerWaalsContact O-N 3.12Å; N61-F66 HydrophobicContact CB-CE2 3.71Å; N61-F66 HydrophobicContact CB-CZ 3.71Å; N61-I108 WeakPolarHBondContact OD1-CA 3.45Å; N61-T109 PolarHBondContact ND2-O 3.15Å; N61-T109 PolarHBondContact OD1-N 2.8Å
62P95.8Very high94.2Very high107 Ų10769 Ų6970%0.69534%0.338SS*.THydrogen-bonded Turntrans-63.7-16.4-17327.6-36.8000114.3F64P62-F64 VanDerWaalsContact C-N 3.29Å
63Q93.8Very high94.1Very high116 Ų11671 Ų7154%0.54235%0.347SS..THydrogen-bonded Turntrans-77.7-10178.273.9-78.217.200114N61 L107N61-Q63 VanDerWaalsContact CA-OE1 3.3Å; N61-Q63 PolarHBondContact O-N 2.85Å; Q63-L107 PolarHBondContact NE2-O 3.23Å
64F94Very high94Very high54 Ų5472 Ų7224%0.23735%0.353CS..SBendtrans-115.1146-178.6-66.1-84000111.8N61 P62 F66 S106 I108N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 3.17Å; N61-F64 VanDerWaalsContact O-N 3.12Å; P62-F64 VanDerWaalsContact C-N 3.29Å; F64-F66 HydrophobicContact CB-CD2 4.28Å; F64-F66 HydrophobicContact CB-CE1 4.02Å; F64-F66 HydrophobicContact CB-CE2 3.55Å; F64-F66 HydrophobicContact CB-CZ 3.42Å; F64-F66 VanDerWaalsContact CB-CZ 3.42Å; F64-F66 HydrophobicContact CD2-CZ 4.18Å; F64-F66 HydrophobicContact CG-CZ 4.03Å; F64-S106 VanDerWaalsContact CZ-CB 3.41Å; F64-I108 HydrophobicContact CD2-CG1 4.28Å; F64-I108 HydrophobicContact CE1-CG1 4.36Å; F64-I108 HydrophobicContact CE2-CG1 3.67Å; F64-I108 HydrophobicContact CZ-CD1 4.37Å; F64-I108 HydrophobicContact CZ-CG1 3.7Å
65E92.7Very high94Very high175 Ų17570.9 Ų70.982%0.81835%0.348SS*.  trans-97.5118.2168.1-169169.2-167.500109.3
66F92.9Very high93.8Very high16 Ų1667.6 Ų67.67%0.0733%0.332CS..  trans-104.5137.2-178.5-61.5-77.4000111.3F54 L57 K58 N61 F64 T74 I108F54-F66 HydrophobicContact CE2-CB 4.22Å; F54-F66 WeakPolarHBondContact CE2-O 3.48Å; L57-F66 HydrophobicContact CD1-CZ 4.48Å; L57-F66 HydrophobicContact CD2-CD1 3.59Å; L57-F66 HydrophobicContact CD2-CD2 4.24Å; L57-F66 HydrophobicContact CD2-CE1 3.72Å; L57-F66 HydrophobicContact CD2-CE2 4.35Å; L57-F66 HydrophobicContact CD2-CG 3.86Å; L57-F66 HydrophobicContact CD2-CZ 4.1Å; L57-F66 HydrophobicContact CG-CD1 4.28Å; L57-F66 HydrophobicContact CG-CD2 4.21Å; L57-F66 HydrophobicContact CG-CE1 4.09Å; L57-F66 HydrophobicContact CG-CE2 4.01Å; L57-F66 HydrophobicContact CG-CG 4.33Å; L57-F66 HydrophobicContact CG-CZ 3.93Å; K58-F66 HydrophobicContact CG-CD2 3.99Å; N61-F66 HydrophobicContact CB-CE2 3.71Å; N61-F66 HydrophobicContact CB-CZ 3.71Å; F64-F66 HydrophobicContact CB-CD2 4.28Å; F64-F66 HydrophobicContact CB-CE1 4.02Å; F64-F66 HydrophobicContact CB-CE2 3.55Å; F64-F66 HydrophobicContact CB-CZ 3.42Å; F64-F66 VanDerWaalsContact CB-CZ 3.42Å; F64-F66 HydrophobicContact CD2-CZ 4.18Å; F64-F66 HydrophobicContact CG-CZ 4.03Å; F66-T74 HydrophobicContact CE1-CG2 4.05Å; F66-I108 HydrophobicContact CE1-CD1 4.44Å; F66-I108 HydrophobicContact CZ-CG2 4.39Å
67Q92.1Very high93.6Very high113 Ų11366.8 Ų66.853%0.52833%0.331SS..  trans-97.2144.8168.9-60.2-64-30.100110.1D69 T70 L71Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 WeakPolarHBondContact CB-OD1 3.35Å; Q67-D69 PolarHBondContact O-N 3.2Å; Q67-T70 PolarHBondContact O-N 2.77Å; Q67-T70 PolarHBondContact O-OG1 2.77Å; Q67-L71 PolarHBondContact O-N 2.57Å
68R91.3Very high93.6Very high105 Ų10566.8 Ų66.840%0.39633%0.331SS..THydrogen-bonded Turntrans-63.7-33.5-175.3-73.1-173.8179.5-99.81.7113.2E51 F54 T70 L71E51-R68 IonicContact OE1-NH2 2.71Å; E51-R68 PolarHBondContact OE1-NH2 3.44Å; E51-R68 IonicContact OE2-CZ 3.18Å; E51-R68 IonicContact OE2-NH1 2.73Å; E51-R68 PolarHBondContact OE2-NH1 2.84Å; E51-R68 IonicContact OE2-NH2 2.67Å; E51-R68 PolarHBondContact OE2-NH2 2.82Å; F54-R68 HydrophobicContact CD2-CG 3.81Å; F54-R68 HydrophobicContact CE2-CG 3.78Å; F54-R68 HydrophobicContact CG-CG 4.25Å; F54-R68 HydrophobicContact CZ-CG 4.2Å; R68-T70 VanDerWaalsContact C-N 3.32Å; R68-T70 PolarHBondContact O-N 2.75Å; R68-L71 VanDerWaalsContact O-CB 3.23Å; R68-L71 WeakPolarHBondContact O-CB 3.35Å; R68-L71 PolarHBondContact O-N 2.91Å
69D90.2Very high93.4Very high137 Ų13762.2 Ų62.273%0.73331%0.311SS*.THydrogen-bonded Turntrans-65.3-32.6177.559.5-16.1000113.1Q67Q67-D69 VanDerWaalsContact C-N 3.29Å; Q67-D69 WeakPolarHBondContact CB-OD1 3.35Å; Q67-D69 PolarHBondContact O-N 3.2Å
70T91.5Very high93.2Very high62 Ų6258.9 Ų58.938%0.3829%0.289SS..THydrogen-bonded Turntrans-86.5-13.8176.959.60000114.5Q67 R68 R72 H73 T74Q67-T70 PolarHBondContact O-N 2.77Å; Q67-T70 PolarHBondContact O-OG1 2.77Å; R68-T70 VanDerWaalsContact C-N 3.32Å; R68-T70 PolarHBondContact O-N 2.75Å; T70-R72 PolarHBondContact O-N 2.67Å; T70-H73 WeakPolarHBondContact O-CB 3.32Å; T70-H73 PolarHBondContact O-N 2.85Å; T70-T74 PolarHBondContact O-N 3.3Å; T70-T74 PolarHBondContact O-OG1 2.85Å
71L93Very high93Very high0 Ų062.2 Ų62.20%030%0.301CS..Hα-helixtrans-50.8-54.2-169.2175.864000113.7E50 L53 F54 L57 Q67 R68 H73 T74 I75E50-L71 HydrophobicContact CG-CD2 4.16Å; L53-L71 HydrophobicContact CB-CD1 4.44Å; L53-L71 HydrophobicContact CB-CD2 3.87Å; L53-L71 HydrophobicContact CB-CG 4.32Å; F54-L71 HydrophobicContact CB-CD1 4.44Å; F54-L71 HydrophobicContact CB-CD2 3.79Å; F54-L71 HydrophobicContact CD2-CD1 4.29Å; F54-L71 HydrophobicContact CD2-CD2 4.29Å; L57-L71 HydrophobicContact CB-CD1 4.05Å; L57-L71 HydrophobicContact CD2-CD1 3.56Å; L57-L71 HydrophobicContact CG-CD1 4.45Å; Q67-L71 PolarHBondContact O-N 2.57Å; R68-L71 VanDerWaalsContact O-CB 3.23Å; R68-L71 WeakPolarHBondContact O-CB 3.35Å; R68-L71 PolarHBondContact O-N 2.91Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 2.84Å; L71-T74 PolarHBondContact O-N 3.23Å; L71-I75 HydrophobicContact CD1-CD1 3.68Å; L71-I75 HydrophobicContact CD1-CG1 4.46Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 3.47Å
72R90.5Very high92.8Very high64 Ų6462.3 Ų62.324%0.24230%0.302CS..Hα-helixtrans-66.1-36.6-176.9-72.1-170.9-93.8155.50111.2S16 E17 N32 I34 T70 R76S16-R72 PolarHBondContact OG-NH1 2.8Å; E17-R72 IonicContact OE1-CZ 3.97Å; E17-R72 IonicContact OE1-NH1 2.84Å; E17-R72 PolarHBondContact OE1-NH1 2.86Å; N32-R72 PolarHBondContact ND2-NH2 3.38Å; N32-R72 PolarHBondContact OD1-NH1 2.8Å; N32-R72 PolarHBondContact OD1-NH2 3.09Å; I34-R72 HydrophobicContact CD1-CG 4.22Å; T70-R72 PolarHBondContact O-N 2.67Å; R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.46Å; R72-R76 WeakPolarHBondContact O-CG 3.27Å; R72-R76 PolarHBondContact O-N 2.85Å
73H91.7Very high92.6Very high128 Ų12864.2 Ų64.259%0.59330%0.301SS*.Hα-helixtrans-64.7-47.7177.2-165.474.9000111.1T70 L71 I75 R76 D77T70-H73 WeakPolarHBondContact O-CB 3.32Å; T70-H73 PolarHBondContact O-N 2.85Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 2.84Å; H73-I75 PolarHBondContact O-N 2.56Å; H73-R76 CarbonylContact O-C 3.6Å; H73-R76 WeakPolarHBondContact O-CA 3.45Å; H73-R76 WeakPolarHBondContact O-CB 3.21Å; H73-R76 PolarHBondContact O-N 2.89Å; H73-R76 VanDerWaalsContact O-N 3.08Å; H73-D77 IonicContact CD2-OD2 3.26Å; H73-D77 PolarHBondContact CD2-OD2 3.42Å; H73-D77 VanDerWaalsContact CD2-OD2 3.26Å; H73-D77 IonicContact NE2-OD1 3.93Å; H73-D77 IonicContact NE2-OD2 3.49Å; H73-D77 PolarHBondContact NE2-OD2 3.09Å; H73-D77 PolarHBondContact O-N 3.04Å
74T94.4Very high92.4Very high20 Ų2059.8 Ų59.812%0.12328%0.282CS..Hα-helixtrans-60.2-45.5178.3-55.60000112.4L57 F66 T70 L71 R76 D77 C78 I108L57-T74 HydrophobicContact CD2-CG2 4.12Å; F66-T74 HydrophobicContact CE1-CG2 4.05Å; T70-T74 PolarHBondContact O-N 3.3Å; T70-T74 PolarHBondContact O-OG1 2.85Å; L71-T74 PolarHBondContact O-N 3.23Å; T74-R76 VanDerWaalsContact C-N 3.26Å; T74-R76 PolarHBondContact O-N 3.09Å; T74-D77 PolarHBondContact O-N 2.92Å; T74-D77 VanDerWaalsContact O-N 3.17Å; T74-C78 PolarHBondContact O-N 2.88Å; T74-C78 PolarHBondContact O-SG 2.87Å; T74-C78 VanDerWaalsContact O-SG 3.36Å; T74-I108 HydrophobicContact CG2-CD1 3.91Å; T74-I108 HydrophobicContact CG2-CG2 4.01Å
75I94.9Very high91.8Very high0 Ų059.5 Ų59.50%029%0.285CS..Hα-helixtrans-64-36.1177-67.6166.3000110.9I34 F36 L53 L57 L71 H73 C78 F79 W110I34-I75 HydrophobicContact CD1-CG2 4.09Å; F36-I75 HydrophobicContact CE1-CG2 4.45Å; F36-I75 HydrophobicContact CZ-CG2 3.85Å; L53-I75 HydrophobicContact CB-CD1 3.89Å; L53-I75 HydrophobicContact CD2-CD1 3.56Å; L53-I75 HydrophobicContact CG-CD1 4.19Å; L57-I75 HydrophobicContact CD1-CG1 4.16Å; L57-I75 HydrophobicContact CD2-CG1 4.25Å; L71-I75 HydrophobicContact CD1-CD1 3.68Å; L71-I75 HydrophobicContact CD1-CG1 4.46Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 3.47Å; H73-I75 PolarHBondContact O-N 2.56Å; I75-C78 WeakPolarHBondContact O-CB 3.35Å; I75-C78 PolarHBondContact O-N 2.99Å; I75-F79 WeakPolarHBondContact O-CB 3.22Å; I75-F79 PolarHBondContact O-N 2.89Å; I75-W110 HydrophobicContact CD1-CE3 4.17Å; I75-W110 HydrophobicContact CD1-CH2 4.48Å; I75-W110 HydrophobicContact CD1-CZ3 4.06Å; I75-W110 HydrophobicContact CG1-CD2 4.3Å; I75-W110 HydrophobicContact CG1-CE3 4.01Å; I75-W110 HydrophobicContact CG1-CZ3 4.4Å; I75-W110 HydrophobicContact CG2-CD2 3.89Å; I75-W110 HydrophobicContact CG2-CE3 4.42Å; I75-W110 HydrophobicContact CG2-CG 4.04Å
76R92.1Very high90.2Very high18 Ų1855.8 Ų55.87%0.06828%0.284CS..Hα-helixtrans-66.7-37.8174.1-75.1-70.7-178.6175.5-1.8112.2A13 I14 D15 R72 H73 T74 F79 N80A13-R76 VanDerWaalsContact C-NH1 3.34Å; A13-R76 PolarHBondContact O-NH1 2.77Å; A13-R76 PolarHBondContact O-NH2 2.78Å; I14-R76 VanDerWaalsContact C-NH2 3.29Å; D15-R76 IonicContact OD1-CZ 3.2Å; D15-R76 IonicContact OD1-NE 2.9Å; D15-R76 PolarHBondContact OD1-NE 3.1Å; D15-R76 IonicContact OD1-NH2 2.68Å; D15-R76 PolarHBondContact OD1-NH2 2.85Å; D15-R76 IonicContact OD2-CZ 3.15Å; D15-R76 IonicContact OD2-NE 3.23Å; D15-R76 PolarHBondContact OD2-NE 3.07Å; D15-R76 IonicContact OD2-NH2 2.68Å; D15-R76 PolarHBondContact OD2-NH2 2.93Å; R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.46Å; R72-R76 WeakPolarHBondContact O-CG 3.27Å; R72-R76 PolarHBondContact O-N 2.85Å; H73-R76 CarbonylContact O-C 3.6Å; H73-R76 WeakPolarHBondContact O-CA 3.45Å; H73-R76 WeakPolarHBondContact O-CB 3.21Å; H73-R76 PolarHBondContact O-N 2.89Å; H73-R76 VanDerWaalsContact O-N 3.08Å; T74-R76 VanDerWaalsContact C-N 3.26Å; T74-R76 PolarHBondContact O-N 3.09Å; R76-F79 PolarHBondContact O-N 2.99Å; R76-N80 WeakPolarHBondContact O-CB 3.02Å; R76-N80 PolarHBondContact O-N 3.08Å; R76-N80 PolarHBondContact O-ND2 3.19Å; R76-N80 VanDerWaalsContact O-ND2 3.08Å
77D94Very high88.8Confident23 Ų2359 Ų5912%0.12330%0.302CS..Hα-helixtrans-66.7-42.4175.8-66.6-24.3000111.1H73 T74 F79 N80 F81 G82 Y101H73-D77 IonicContact CD2-OD2 3.26Å; H73-D77 PolarHBondContact CD2-OD2 3.42Å; H73-D77 VanDerWaalsContact CD2-OD2 3.26Å; H73-D77 IonicContact NE2-OD1 3.93Å; H73-D77 IonicContact NE2-OD2 3.49Å; H73-D77 PolarHBondContact NE2-OD2 3.09Å; H73-D77 PolarHBondContact O-N 3.04Å; T74-D77 PolarHBondContact O-N 2.92Å; T74-D77 VanDerWaalsContact O-N 3.17Å; D77-F79 PolarHBondContact O-N 2.8Å; D77-N80 PolarHBondContact O-N 2.89Å; D77-F81 HydrophobicContact CB-CD2 4.09Å; D77-F81 WeakPolarHBondContact O-CA 3.41Å; D77-F81 WeakPolarHBondContact O-CB 3.17Å; D77-F81 PolarHBondContact O-N 3.39Å; D77-F81 WeakPolarHBondContact OD1-CE2 3.42Å; D77-G82 PolarHBondContact O-N 3.14Å; D77-Y101 HydrophobicContact CB-CD1 3.75Å; D77-Y101 HydrophobicContact CB-CE1 3.62Å; D77-Y101 HydrophobicContact CB-CG 4.3Å
78C94.5Very high87.6Confident0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-52.9-53.9168.2-65.10000111.3T74 I75 G82 F99 I108 W110T74-C78 PolarHBondContact O-N 2.88Å; T74-C78 PolarHBondContact O-SG 2.87Å; T74-C78 VanDerWaalsContact O-SG 3.36Å; I75-C78 WeakPolarHBondContact O-CB 3.35Å; I75-C78 PolarHBondContact O-N 2.99Å; C78-G82 WeakPolarHBondContact O-CA 3.19Å; C78-G82 PolarHBondContact O-N 2.92Å; C78-F99 HydrophobicContact CB-CB 4.3Å; C78-F99 WeakPolarHBondContact O-CB 3.37Å; C78-I108 VanDerWaalsContact SG-CG2 3.6Å; C78-W110 HydrophobicContact CB-CB 3.66Å
79F93.5Very high86.6Confident0 Ų056.1 Ų56.10%029%0.294CS..Hα-helixtrans-64.5-44.7-177.9-178.1-89.8000113.1N2 R4 C11 A13 F36 I75 R76 D77 F99N2-F79 HydrophobicContact CB-CD1 4.43Å; N2-F79 HydrophobicContact CB-CE1 4.1Å; R4-F79 WeakPolarHBondContact CD-O 3.49Å; R4-F79 HydrophobicContact CG-CE1 4.39Å; R4-F79 PolarHBondContact NH1-O 2.75Å; C11-F79 HydrophobicContact CB-CE2 3.92Å; C11-F79 HydrophobicContact CB-CZ 3.91Å; A13-F79 HydrophobicContact CB-CD1 4.02Å; A13-F79 HydrophobicContact CB-CD2 4.02Å; A13-F79 HydrophobicContact CB-CE1 3.92Å; A13-F79 HydrophobicContact CB-CE2 3.9Å; A13-F79 HydrophobicContact CB-CG 4.08Å; A13-F79 HydrophobicContact CB-CZ 3.86Å; F36-F79 HydrophobicContact CD1-CD2 4.15Å; F36-F79 HydrophobicContact CD1-CE2 4.33Å; F36-F79 HydrophobicContact CE1-CD2 4.15Å; I75-F79 WeakPolarHBondContact O-CB 3.22Å; I75-F79 PolarHBondContact O-N 2.89Å; R76-F79 PolarHBondContact O-N 2.99Å; D77-F79 PolarHBondContact O-N 2.8Å; F79-F99 HydrophobicContact CD2-CE1 4.01Å; F79-F99 AromaticContact CD2-CE2 4Å; F79-F99 HydrophobicContact CD2-CE2 4Å; F79-F99 AromaticContact CD2-CZ 3.67Å; F79-F99 HydrophobicContact CD2-CZ 3.67Å; F79-F99 HydrophobicContact CE2-CE1 4.3Å; F79-F99 HydrophobicContact CE2-CE2 4.47Å; F79-F99 AromaticContact CE2-CZ 3.85Å; F79-F99 HydrophobicContact CE2-CZ 3.85Å
80N91.5Very high85.5Confident37 Ų3752.7 Ų52.720%0.19828%0.278CS..Hα-helixtrans-79.5-43.1-171.8-66.6-28.8000112.4N2 R4 R76 D77N2-N80 WeakPolarHBondContact CB-OD1 3.39Å; N2-N80 VanDerWaalsContact ND2-CG 3.34Å; N2-N80 PolarHBondContact ND2-ND2 3.45Å; N2-N80 VanDerWaalsContact ND2-ND2 3.13Å; N2-N80 PolarHBondContact ND2-OD1 2.97Å; R4-N80 PolarHBondContact NH1-O 2.96Å; R76-N80 WeakPolarHBondContact O-CB 3.02Å; R76-N80 PolarHBondContact O-N 3.08Å; R76-N80 PolarHBondContact O-ND2 3.19Å; R76-N80 VanDerWaalsContact O-ND2 3.08Å; D77-N80 PolarHBondContact O-N 2.89Å
81F91.7Very high84.6Confident132 Ų13252.8 Ų52.858%0.57928%0.28SS*.Hα-helixtrans-115.9-16.4-168.2-51.1-59.3000113D77 Y101D77-F81 HydrophobicContact CB-CD2 4.09Å; D77-F81 WeakPolarHBondContact O-CA 3.41Å; D77-F81 WeakPolarHBondContact O-CB 3.17Å; D77-F81 PolarHBondContact O-N 3.39Å; D77-F81 WeakPolarHBondContact OD1-CE2 3.42Å; F81-Y101 HydrophobicContact CB-CD2 3.73Å; F81-Y101 HydrophobicContact CB-CE2 3.67Å; F81-Y101 HydrophobicContact CD2-CE2 4.38Å; F81-Y101 HydrophobicContact CG-CE2 4.42Å
82G92.1Very high83.6Confident1 Ų157.2 Ų57.21%0.0131%0.307CS..SBendtrans-65147177.700000112.7R4 D77 C78 Q100R4-G82 PolarHBondContact NH1-O 2.73Å; R4-G82 PolarHBondContact NH2-O 2.82Å; D77-G82 PolarHBondContact O-N 3.14Å; C78-G82 WeakPolarHBondContact O-CA 3.19Å; C78-G82 PolarHBondContact O-N 2.92Å; G82-Q100 CarbonylContact C-O 3.59Å; G82-Q100 WeakPolarHBondContact CA-O 3.41Å
83E91.7Very high83.4Confident147 Ų14758.8 Ų58.869%0.68732%0.32SS*.EExtended strand (participates in β ladder)trans-69.8140.3165.4-171.6176.1177.900109.1V85 F99 Q100E83-V85 HydrophobicContact CG-CG2 4.48Å; E83-V85 PolarHBondContact O-N 2.94Å; E83-F99 CarbonylContact O-C 3.31Å; E83-F99 WeakPolarHBondContact O-CA 3.46Å; E83-Q100 PolarHBondContact N-O 2.75Å; E83-Q100 PolarHBondContact O-N 3.46Å
84V89.7Confident83.3Confident24 Ų2456.2 Ų56.215%0.14531%0.31CS..EExtended strand (participates in β ladder)trans-84.2114.5172.5175.90000108V6 I88 V97 S98 F99V6-V84 HydrophobicContact CB-CG2 4.23Å; V6-V84 HydrophobicContact CG1-CB 3.72Å; V6-V84 HydrophobicContact CG1-CG1 3.96Å; V6-V84 HydrophobicContact CG1-CG2 3.76Å; V6-V84 HydrophobicContact CG2-CG2 3.84Å; V84-I88 HydrophobicContact CG1-CD1 4.48Å; V84-I88 HydrophobicContact CG1-CG1 4.46Å; V84-V97 HydrophobicContact CG1-CG1 4.15Å; V84-S98 WeakPolarHBondContact CA-O 3.29Å; V84-F99 HydrophobicContact CG2-CD1 3.67Å; V84-F99 HydrophobicContact CG2-CE1 3.67Å
85V82.2Confident83.1Confident48 Ų4855.2 Ų55.229%0.29130%0.304SS..  trans-99.5116.6-175.3-179.40000109.6E83 N87 S98 Q100E83-V85 HydrophobicContact CG-CG2 4.48Å; E83-V85 PolarHBondContact O-N 2.94Å; V85-N87 PolarHBondContact O-N 3.05Å; V85-S98 PolarHBondContact N-O 2.74Å; V85-Q100 HydrophobicContact CB-CG 4.12Å; V85-Q100 HydrophobicContact CG2-CB 3.83Å; V85-Q100 HydrophobicContact CG2-CG 3.6Å
86A58.6Low83Confident96 Ų9656.2 Ų56.279%0.79331%0.311SS*.SBendtrans-10.153.3174.300000119.4
87N63.2Low82.9Confident83 Ų8355.5 Ų55.544%0.44431%0.309SS..  trans-140.245.1171.5-133.62.7000111.2V85 Q89V85-N87 PolarHBondContact O-N 3.05Å; N87-Q89 PolarHBondContact O-N 2.92Å; N87-Q89 PolarHBondContact OD1-NE2 3.33Å
88I67.7Low82.9Confident40 Ų4055 Ų5521%0.20531%0.307CS..  trans-74.982.6166.3-54.1172.9000107.4E7 I9 V84 V90 S96E7-I88 HydrophobicContact CB-CD1 4.34Å; I9-I88 HydrophobicContact CD1-CD1 3.91Å; I9-I88 HydrophobicContact CD1-CG1 4.46Å; I9-I88 HydrophobicContact CD1-CG2 3.39Å; V84-I88 HydrophobicContact CG1-CD1 4.48Å; V84-I88 HydrophobicContact CG1-CG1 4.46Å; I88-V90 HydrophobicContact CG2-CG2 3.6Å; I88-V90 PolarHBondContact O-N 3.39Å; I88-S96 WeakPolarHBondContact CA-O 3.42Å
89Q70.6Confident82.9Confident119 Ų11955 Ų5556%0.55631%0.307SS*.EExtended strand (participates in β ladder)trans-85100.3169.9-67.6-171.83.800107.8N87 C95 S96N87-Q89 PolarHBondContact O-N 2.92Å; N87-Q89 PolarHBondContact OD1-NE2 3.33Å; Q89-C95 WeakPolarHBondContact O-CA 3.36Å; Q89-S96 PolarHBondContact N-O 3.33Å; Q89-S96 PolarHBondContact O-N 3.25Å; Q89-S96 VanDerWaalsContact O-N 3.09Å
90V66.4Low83Confident65 Ų6557.7 Ų57.739%0.39432%0.319SS..EExtended strand (participates in β ladder)trans-95.589.5168.1-168.40000107.2W44 I88W44-V90 HydrophobicContact CH2-CG1 3.39Å; W44-V90 HydrophobicContact CZ2-CG1 3.26Å; W44-V90 HydrophobicContact CZ3-CG1 4.4Å; I88-V90 HydrophobicContact CG2-CG2 3.6Å; I88-V90 PolarHBondContact O-N 3.39Å
91C71.9Confident83.1Confident64 Ų6459 Ų5943%0.43232%0.322SS..  trans-80.2171159.8800000108.5D93 I94C91-D93 PolarHBondContact O-N 3.19Å; C91-I94 PolarHBondContact N-O 3.37Å; C91-I94 WeakPolarHBondContact SG-CB 3.49Å; C91-I94 PolarHBondContact SG-N 3.32Å; C91-I94 PolarHBondContact SG-O 3.26Å
92T73.4Confident83.2Confident93 Ų9355.4 Ų55.457%0.57132%0.317SS*.SBendtrans-54.2-28.7-174.839.40000113.3K42K42-T92 PolarHBondContact NZ-O 3.27Å
93D85.8Confident83.1Confident96 Ų9658.4 Ų58.451%0.51334%0.335SS..SBendtrans-125.1-14.7-167.5-53.2-56.3000114.3C91 V115 V116C91-D93 PolarHBondContact O-N 3.19Å; D93-V115 WeakPolarHBondContact O-CA 3.34Å; D93-V116 PolarHBondContact O-N 3.28Å; D93-V116 VanDerWaalsContact O-N 3.15Å
94I89.2Confident83Confident74 Ų7455.2 Ų55.238%0.37934%0.341SS..EExtended strand (participates in β ladder)trans-129.3135.9-179-46.3179.3000109.7C91 A114 V115C91-I94 PolarHBondContact N-O 3.37Å; C91-I94 WeakPolarHBondContact SG-CB 3.49Å; C91-I94 PolarHBondContact SG-N 3.32Å; C91-I94 PolarHBondContact SG-O 3.26Å; I94-A114 CarbonylContact C-O 3.54Å; I94-A114 VanDerWaalsContact CA-O 3.31Å; I94-A114 WeakPolarHBondContact CA-O 3.32Å; I94-V115 HydrophobicContact CG1-CG1 4.26Å
95C91Very high83Confident0 Ų064 Ų640%038%0.381CS..EExtended strand (participates in β ladder)trans-121.2108.6172.1179.90000108.8W44 Q89 A114W44-C95 HydrophobicContact CB-CB 3.85Å; W44-C95 HydrophobicContact CD2-CB 3.51Å; W44-C95 HydrophobicContact CE3-CB 4.01Å; W44-C95 HydrophobicContact CG-CB 3.41Å; W44-C95 VanDerWaalsContact CG-CB 3.41Å; Q89-C95 WeakPolarHBondContact O-CA 3.36Å; C95-A114 PolarHBondContact N-O 3.05Å; C95-A114 PolarHBondContact O-N 3.48Å
96S91.7Very high83.5Confident20 Ų2064.3 Ų64.314%0.1439%0.385CS..EExtended strand (participates in β ladder)trans-95.1133.3173-61.50000109.9I88 Q89 S112 D113I88-S96 WeakPolarHBondContact CA-O 3.42Å; Q89-S96 PolarHBondContact N-O 3.33Å; Q89-S96 PolarHBondContact O-N 3.25Å; Q89-S96 VanDerWaalsContact O-N 3.09Å; S96-S112 CarbonylContact C-O 3.43Å; S96-S112 VanDerWaalsContact CA-O 3.27Å; S96-S112 WeakPolarHBondContact CA-O 3.12Å; S96-D113 WeakPolarHBondContact CB-OD1 3.03Å; S96-D113 PolarHBondContact OG-OD1 3.14Å
97V91.5Very high85.2Confident3 Ų363.8 Ų63.82%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-136.5126.3177.2-173.60000109.5F38 V84 F99 T111 S112F38-V97 HydrophobicContact CD1-CB 4.39Å; F38-V97 HydrophobicContact CD1-CG2 3.74Å; F38-V97 HydrophobicContact CE1-CB 3.8Å; F38-V97 HydrophobicContact CE1-CG1 4.19Å; F38-V97 HydrophobicContact CE1-CG2 3.66Å; F38-V97 HydrophobicContact CG-CG2 4.22Å; F38-V97 HydrophobicContact CZ-CB 4.03Å; F38-V97 HydrophobicContact CZ-CG2 4.08Å; V84-V97 HydrophobicContact CG1-CG1 4.15Å; V97-F99 HydrophobicContact CB-CE2 4.14Å; V97-F99 HydrophobicContact CB-CZ 4.39Å; V97-F99 HydrophobicContact CG1-CD2 4.43Å; V97-F99 HydrophobicContact CG1-CE1 4.27Å; V97-F99 HydrophobicContact CG1-CE2 3.67Å; V97-F99 HydrophobicContact CG1-CZ 3.57Å; V97-T111 WeakPolarHBondContact O-CA 3.44Å; V97-S112 PolarHBondContact N-O 3.3Å; V97-S112 PolarHBondContact O-N 3.02Å
98S93.6Very high86.8Confident12 Ų1260.3 Ų60.38%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-110.2138.2179.8-60.60000111.9V84 V85 W110 T111V84-S98 WeakPolarHBondContact CA-O 3.29Å; V85-S98 PolarHBondContact N-O 2.74Å; S98-W110 CarbonylContact C-O 3.39Å; S98-W110 WeakPolarHBondContact CA-O 3.47Å; S98-T111 WeakPolarHBondContact OG-CG2 3.33Å; S98-T111 PolarHBondContact OG-OG1 3.35Å
99F93.9Very high88.1Confident0 Ų059.6 Ų59.60%035%0.348CS..EExtended strand (participates in β ladder)trans-123.8128179.7-55.3-94.6000109.3F38 C78 F79 E83 V84 V97 T109 W110F38-F99 HydrophobicContact CE1-CE2 4.47Å; F38-F99 HydrophobicContact CE1-CZ 4.21Å; C78-F99 HydrophobicContact CB-CB 4.3Å; C78-F99 WeakPolarHBondContact O-CB 3.37Å; F79-F99 HydrophobicContact CD2-CE1 4.01Å; F79-F99 AromaticContact CD2-CE2 4Å; F79-F99 HydrophobicContact CD2-CE2 4Å; F79-F99 AromaticContact CD2-CZ 3.67Å; F79-F99 HydrophobicContact CD2-CZ 3.67Å; F79-F99 HydrophobicContact CE2-CE1 4.3Å; F79-F99 HydrophobicContact CE2-CE2 4.47Å; F79-F99 AromaticContact CE2-CZ 3.85Å; F79-F99 HydrophobicContact CE2-CZ 3.85Å; E83-F99 CarbonylContact O-C 3.31Å; E83-F99 WeakPolarHBondContact O-CA 3.46Å; V84-F99 HydrophobicContact CG2-CD1 3.67Å; V84-F99 HydrophobicContact CG2-CE1 3.67Å; V97-F99 HydrophobicContact CB-CE2 4.14Å; V97-F99 HydrophobicContact CB-CZ 4.39Å; V97-F99 HydrophobicContact CG1-CD2 4.43Å; V97-F99 HydrophobicContact CG1-CE1 4.27Å; V97-F99 HydrophobicContact CG1-CE2 3.67Å; V97-F99 HydrophobicContact CG1-CZ 3.57Å; F99-T109 CarbonylContact O-C 3.53Å; F99-T109 VanDerWaalsContact O-CA 3.31Å; F99-T109 WeakPolarHBondContact O-CA 3.49Å; F99-W110 PolarHBondContact N-O 3.47Å; F99-W110 PolarHBondContact O-N 3.14Å
100Q94.6Very high89.3Confident57 Ų5754 Ų5427%0.26632%0.321SS..EExtended strand (participates in β ladder)trans-115.8115.8178.2-65.5-166.1-15.300110.7G82 E83 V85 I108 T109G82-Q100 CarbonylContact C-O 3.59Å; G82-Q100 WeakPolarHBondContact CA-O 3.41Å; E83-Q100 PolarHBondContact N-O 2.75Å; E83-Q100 PolarHBondContact O-N 3.46Å; V85-Q100 HydrophobicContact CB-CG 4.12Å; V85-Q100 HydrophobicContact CG2-CB 3.83Å; V85-Q100 HydrophobicContact CG2-CG 3.6Å; Q100-I108 CarbonylContact C-O 3.54Å; Q100-I108 WeakPolarHBondContact CA-O 3.4Å; Q100-T109 HydrophobicContact CG-CG2 4.15Å; Q100-T109 PolarHBondContact NE2-OG1 2.78Å
101Y95Very high90.7Very high64 Ų6451.9 Ų51.925%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-108.4126.4178.6174.6-118.4000111.1D77 F81 V103 I108D77-Y101 HydrophobicContact CB-CD1 3.75Å; D77-Y101 HydrophobicContact CB-CE1 3.62Å; D77-Y101 HydrophobicContact CB-CG 4.3Å; F81-Y101 HydrophobicContact CB-CD2 3.73Å; F81-Y101 HydrophobicContact CB-CE2 3.67Å; F81-Y101 HydrophobicContact CD2-CE2 4.38Å; F81-Y101 HydrophobicContact CG-CE2 4.42Å; Y101-V103 HydrophobicContact CD1-CG2 3.6Å; Y101-V103 HydrophobicContact CE1-CG2 3.44Å; Y101-V103 VanDerWaalsContact CE1-CG2 3.44Å; Y101-I108 PolarHBondContact N-O 3.48Å; Y101-I108 PolarHBondContact O-N 3.18Å
102A94Very high91.7Very high58 Ų5848.8 Ų48.848%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-80.3126.117900000111.3S106 L107A102-S106 WeakPolarHBondContact CA-O 3.31Å; A102-L107 HydrophobicContact CB-CD2 3.88Å
103V90.3Very high92.6Very high64 Ų6447.5 Ų47.539%0.38828%0.277SS..EExtended strand (participates in β ladder)trans-124.199.1172.6-179.30000107.8Y101 E105 S106 I108Y101-V103 HydrophobicContact CD1-CG2 3.6Å; Y101-V103 HydrophobicContact CE1-CG2 3.44Å; Y101-V103 VanDerWaalsContact CE1-CG2 3.44Å; V103-E105 PolarHBondContact O-N 3.24Å; V103-S106 PolarHBondContact N-O 2.89Å; V103-S106 PolarHBondContact O-N 3.4Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CG2-CD1 3.65Å; V103-I108 HydrophobicContact CG2-CG1 4.18Å
104G88.7Confident92.9Very high79 Ų7942.9 Ų42.981%0.81425%0.253SS*.THydrogen-bonded Turntrans65.8-125.6-171.200000111.3S106G104-S106 VanDerWaalsContact C-N 3.35Å
105E90.3Very high93.1Very high208 Ų20843 Ų4397%0.97226%0.257SS*.THydrogen-bonded Turntrans-89.7-0.1175.9-61.1-168.9166.500113.4V103V103-E105 PolarHBondContact O-N 3.24Å
106S92.7Very high93Very high56 Ų5646.4 Ų46.439%0.39228%0.277SS..EExtended strand (participates in β ladder)trans-108.8154.9-175.7-61.10000111.8F64 A102 V103 G104F64-S106 VanDerWaalsContact CZ-CB 3.41Å; A102-S106 WeakPolarHBondContact CA-O 3.31Å; V103-S106 PolarHBondContact N-O 2.89Å; V103-S106 PolarHBondContact O-N 3.4Å; G104-S106 VanDerWaalsContact C-N 3.35Å
107L94.3Very high92.9Very high84 Ų8446.5 Ų46.544%0.4428%0.278SS..EExtended strand (participates in β ladder)trans-111.5130.6176.1-66.8169.2000110.5Q63 A102Q63-L107 PolarHBondContact NE2-O 3.23Å; A102-L107 HydrophobicContact CB-CD2 3.88Å
108I96Very high92.6Very high11 Ų1150.3 Ų50.36%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-100.5125.5168.4-55.8178.9000107.9L57 N61 F64 F66 T74 C78 Q100 Y101 V103L57-I108 HydrophobicContact CD1-CG2 4.19Å; N61-I108 WeakPolarHBondContact OD1-CA 3.45Å; F64-I108 HydrophobicContact CD2-CG1 4.28Å; F64-I108 HydrophobicContact CE1-CG1 4.36Å; F64-I108 HydrophobicContact CE2-CG1 3.67Å; F64-I108 HydrophobicContact CZ-CD1 4.37Å; F64-I108 HydrophobicContact CZ-CG1 3.7Å; F66-I108 HydrophobicContact CE1-CD1 4.44Å; F66-I108 HydrophobicContact CZ-CG2 4.39Å; T74-I108 HydrophobicContact CG2-CD1 3.91Å; T74-I108 HydrophobicContact CG2-CG2 4.01Å; C78-I108 VanDerWaalsContact SG-CG2 3.6Å; Q100-I108 CarbonylContact C-O 3.54Å; Q100-I108 WeakPolarHBondContact CA-O 3.4Å; Y101-I108 PolarHBondContact N-O 3.48Å; Y101-I108 PolarHBondContact O-N 3.18Å; V103-I108 HydrophobicContact CB-CD1 4.36Å; V103-I108 HydrophobicContact CG2-CD1 3.65Å; V103-I108 HydrophobicContact CG2-CG1 4.18Å
109T95.4Very high92.2Very high25 Ų2554.1 Ų54.115%0.15333%0.327CS..EExtended strand (participates in β ladder)trans-105.2133.9179.1-56.40000110.8N61 F99 Q100N61-T109 PolarHBondContact ND2-O 3.15Å; N61-T109 PolarHBondContact OD1-N 2.8Å; F99-T109 CarbonylContact O-C 3.53Å; F99-T109 VanDerWaalsContact O-CA 3.31Å; F99-T109 WeakPolarHBondContact O-CA 3.49Å; Q100-T109 HydrophobicContact CG-CG2 4.15Å; Q100-T109 PolarHBondContact NE2-OG1 2.78Å
110W95.8Very high91.9Very high0 Ų055.7 Ų55.70%034%0.338CS..EExtended strand (participates in β ladder)trans-120.3132.3164.5173.9-108.5000109.7F36 V48 L53 R56 L57 L60 I75 C78 S98 F99F36-W110 AromaticContact CE1-NE1 3.55Å; F36-W110 AromaticContact CE2-CZ2 3.71Å; F36-W110 HydrophobicContact CE2-CZ2 3.71Å; F36-W110 AromaticContact CE2-NE1 3.83Å; F36-W110 AromaticContact CZ-CE2 3.74Å; F36-W110 AromaticContact CZ-CZ2 3.87Å; F36-W110 HydrophobicContact CZ-CZ2 3.87Å; F36-W110 AromaticContact CZ-NE1 3.28Å; F36-W110 VanDerWaalsContact CZ-NE1 3.28Å; V48-W110 HydrophobicContact CG1-CH2 4.49Å; L53-W110 HydrophobicContact CD2-CH2 3.35Å; L53-W110 HydrophobicContact CD2-CZ2 3.67Å; L53-W110 HydrophobicContact CD2-CZ3 4.08Å; R56-W110 HydrophobicContact CB-CH2 4.36Å; R56-W110 HydrophobicContact CB-CZ3 4.04Å; R56-W110 HydrophobicContact CG-CH2 4.38Å; R56-W110 HydrophobicContact CG-CZ3 4.08Å; L57-W110 HydrophobicContact CD1-CE3 4.31Å; L60-W110 HydrophobicContact CD1-CE3 4.39Å; I75-W110 HydrophobicContact CD1-CE3 4.17Å; I75-W110 HydrophobicContact CD1-CH2 4.48Å; I75-W110 HydrophobicContact CD1-CZ3 4.06Å; I75-W110 HydrophobicContact CG1-CD2 4.3Å; I75-W110 HydrophobicContact CG1-CE3 4.01Å; I75-W110 HydrophobicContact CG1-CZ3 4.4Å; I75-W110 HydrophobicContact CG2-CD2 3.89Å; I75-W110 HydrophobicContact CG2-CE3 4.42Å; I75-W110 HydrophobicContact CG2-CG 4.04Å; C78-W110 HydrophobicContact CB-CB 3.66Å; S98-W110 CarbonylContact C-O 3.39Å; S98-W110 WeakPolarHBondContact CA-O 3.47Å; F99-W110 PolarHBondContact N-O 3.47Å; F99-W110 PolarHBondContact O-N 3.14Å
111T94.7Very high91.5Very high21 Ų2153 Ų5313%0.12933%0.326CS..EExtended strand (participates in β ladder)trans-121127.4174.4-56.30000109.7R56 V97 S98R56-T111 PolarHBondContact NH1-O 3.31Å; V97-T111 WeakPolarHBondContact O-CA 3.44Å; S98-T111 WeakPolarHBondContact OG-CG2 3.33Å; S98-T111 PolarHBondContact OG-OG1 3.35Å
112S93.6Very high91.1Very high0 Ų052.8 Ų52.80%033%0.329CS..EExtended strand (participates in β ladder)trans-106.2133.3172.6-176.70000109.1F36 F38 E46 S96 V97F36-S112 WeakPolarHBondContact CB-OG 3.46Å; F36-S112 WeakPolarHBondContact CG-OG 3.48Å; F38-S112 WeakPolarHBondContact CE2-OG 3.4Å; E46-S112 WeakPolarHBondContact OE2-CA 3.4Å; E46-S112 WeakPolarHBondContact OE2-CB 3.39Å; E46-S112 PolarHBondContact OE2-OG 3.4Å; S96-S112 CarbonylContact C-O 3.43Å; S96-S112 VanDerWaalsContact CA-O 3.27Å; S96-S112 WeakPolarHBondContact CA-O 3.12Å; V97-S112 PolarHBondContact N-O 3.3Å; V97-S112 PolarHBondContact O-N 3.02Å
113D92.4Very high90.8Very high65 Ų6554 Ų5435%0.34832%0.324SS..EExtended strand (participates in β ladder)trans-118.689.6-178.7-65.2-55.8000108.5E46 S96E46-D113 WeakPolarHBondContact CG-O 3.32Å; E46-D113 PolarHBondContact OE2-N 2.91Å; S96-D113 WeakPolarHBondContact CB-OD1 3.03Å; S96-D113 PolarHBondContact OG-OD1 3.14Å
114A92.8Very high90.6Very high0 Ų055.3 Ų55.30%032%0.323CS..EExtended strand (participates in β ladder)trans-96.2144.9-172.700000112.3F38 W44 V45 E46 I94 C95F38-A114 HydrophobicContact CD2-CB 3.44Å; F38-A114 VanDerWaalsContact CD2-CB 3.44Å; F38-A114 HydrophobicContact CE2-CB 3.69Å; W44-A114 HydrophobicContact CB-CB 3.63Å; V45-A114 WeakPolarHBondContact O-CA 3.27Å; E46-A114 HydrophobicContact CB-CB 4Å; I94-A114 CarbonylContact C-O 3.54Å; I94-A114 VanDerWaalsContact CA-O 3.31Å; I94-A114 WeakPolarHBondContact CA-O 3.32Å; C95-A114 PolarHBondContact N-O 3.05Å; C95-A114 PolarHBondContact O-N 3.48Å
115V92.2Very high90.5Very high76 Ų7653.5 Ų53.546%0.46129%0.293SS..EExtended strand (participates in β ladder)trans-116.3161.4-179.2-59.90000111.3W44 V45 D93 I94 P117W44-V115 CarbonylContact C-O 3.52Å; W44-V115 VanDerWaalsContact CA-O 3.27Å; W44-V115 WeakPolarHBondContact CA-O 3.49Å; V45-V115 PolarHBondContact N-O 2.88Å; V45-V115 PolarHBondContact O-N 3.21Å; D93-V115 WeakPolarHBondContact O-CA 3.34Å; I94-V115 HydrophobicContact CG1-CG1 4.26Å; V115-P117 WeakPolarHBondContact O-CD 3.49Å
116V90Very high90.2Very high71 Ų7144.6 Ų44.643%0.4325%0.253SS..PPolyproline II helixtrans-59.5122.8174.6177.10000109.5D93D93-V116 PolarHBondContact O-N 3.28Å; D93-V116 VanDerWaalsContact O-N 3.15Å
117P88.9Confident89.9Confident23 Ų2346 Ų4615%0.14926%0.255CS..PPolyproline II helixtrans-76.2165.3-176.525.6-28.6000112.9F43 V45 V115 V121F43-P117 HydrophobicContact CD1-CG 3.42Å; F43-P117 VanDerWaalsContact CD1-CG 3.42Å; F43-P117 HydrophobicContact CE1-CG 3.87Å; F43-P117 HydrophobicContact CG-CG 4.36Å; F43-P117 WeakPolarHBondContact O-CD 3.45Å; V45-P117 HydrophobicContact CB-CB 4.29Å; V45-P117 HydrophobicContact CG1-CB 3.57Å; V45-P117 HydrophobicContact CG1-CG 4.33Å; V115-P117 WeakPolarHBondContact O-CD 3.49Å; P117-V121 HydrophobicContact CB-CB 3.72Å; P117-V121 HydrophobicContact CB-CG1 4.16Å; P117-V121 HydrophobicContact CB-CG2 3.98Å; P117-V121 HydrophobicContact CG-CB 4.37Å
118V85.7Confident89.6Confident82 Ų8244.4 Ų44.450%0.49725%0.247SC..PPolyproline II helixtrans-62.8150.8159.4-63.20000111.3S120 V121V118-S120 WeakPolarHBondContact CG2-OG 3.48Å; V118-S120 PolarHBondContact O-N 3.29Å; V118-V121 HydrophobicContact CG2-CG2 3.88Å; V118-V121 PolarHBondContact O-N 3.35Å
119S85.5Confident89Confident93 Ų9346.9 Ų46.965%0.6526%0.263SS*.Hα-helixtrans-52.7-33-174.7-176.80000114.3V121 L122 H123S119-V121 VanDerWaalsContact C-N 3.31Å; S119-V121 PolarHBondContact O-N 2.95Å; S119-L122 PolarHBondContact O-N 3.5Å; S119-H123 PolarHBondContact O-N 3.32Å
120S86.6Confident88.6Confident33 Ų3351 Ų5123%0.23128%0.284CS..Hα-helixtrans-59.8-39179.263.20000112.4D23 V118 H123 Y124D23-S120 PolarHBondContact OD2-OG 2.82Å; V118-S120 WeakPolarHBondContact CG2-OG 3.48Å; V118-S120 PolarHBondContact O-N 3.29Å; S120-H123 PolarHBondContact O-N 2.97Å; S120-Y124 WeakPolarHBondContact O-CD2 3.42Å; S120-Y124 PolarHBondContact O-N 3.26Å; S120-Y124 VanDerWaalsContact O-N 3.11Å
121V87.5Confident88.4Confident0 Ų054 Ų540%031%0.305CS..Hα-helixtrans-68.2-44.6179.4-170.70000110.6E24 F37 F43 V45 P117 V118 S119 H123 Y124 H125E24-V121 HydrophobicContact CB-CG2 3.81Å; E24-V121 HydrophobicContact CG-CG2 3.48Å; E24-V121 VanDerWaalsContact CG-CG2 3.48Å; F37-V121 HydrophobicContact CD1-CG1 4.48Å; F37-V121 HydrophobicContact CE1-CG1 3.72Å; F43-V121 HydrophobicContact CE1-CG1 4.05Å; V45-V121 HydrophobicContact CG2-CG1 4.36Å; P117-V121 HydrophobicContact CB-CB 3.72Å; P117-V121 HydrophobicContact CB-CG1 4.16Å; P117-V121 HydrophobicContact CB-CG2 3.98Å; P117-V121 HydrophobicContact CG-CB 4.37Å; V118-V121 HydrophobicContact CG2-CG2 3.88Å; V118-V121 PolarHBondContact O-N 3.35Å; S119-V121 VanDerWaalsContact C-N 3.31Å; S119-V121 PolarHBondContact O-N 2.95Å; V121-H123 VanDerWaalsContact C-N 3.26Å; V121-H123 PolarHBondContact O-N 3.47Å; V121-Y124 PolarHBondContact O-N 2.93Å; V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.2Å; V121-H125 PolarHBondContact O-N 3.36Å
122L85.6Confident88.2Confident60 Ų6058.5 Ų58.531%0.31432%0.323SS..Hα-helixtrans-58.4-42.4175.8-176.174.9000110.7F43 S119 V126 I127F43-L122 HydrophobicContact CB-CD1 3.64Å; F43-L122 HydrophobicContact CD1-CB 4.17Å; F43-L122 HydrophobicContact CD1-CD1 3.46Å; F43-L122 VanDerWaalsContact CD1-CD1 3.46Å; F43-L122 HydrophobicContact CD1-CG 4.44Å; F43-L122 HydrophobicContact CE1-CD1 4.3Å; F43-L122 HydrophobicContact CG-CD1 3.77Å; S119-L122 PolarHBondContact O-N 3.5Å; L122-V126 HydrophobicContact CD1-CB 4Å; L122-V126 HydrophobicContact CD1-CG1 4.46Å; L122-V126 HydrophobicContact CD1-CG2 3.86Å; L122-V126 WeakPolarHBondContact O-CA 3.42Å; L122-V126 WeakPolarHBondContact O-CB 3.45Å; L122-V126 PolarHBondContact O-N 2.94Å; L122-I127 HydrophobicContact CD2-CD1 4.4Å; L122-I127 HydrophobicContact CG-CD1 4.42Å; L122-I127 HydrophobicContact CG-CG1 4.47Å; L122-I127 PolarHBondContact O-N 3.08Å; L122-I127 VanDerWaalsContact O-N 3.08Å
123H87.8Confident88Confident83 Ų8360.9 Ų60.938%0.38434%0.342SS..Iπ-helixtrans-59.4-51178-174.878.6000112S119 S120 V121 I127 L128S119-H123 PolarHBondContact O-N 3.32Å; S120-H123 PolarHBondContact O-N 2.97Å; V121-H123 VanDerWaalsContact C-N 3.26Å; V121-H123 PolarHBondContact O-N 3.47Å; H123-I127 PolarHBondContact O-N 3.41Å; H123-L128 VanDerWaalsContact O-CB 3.31Å; H123-L128 WeakPolarHBondContact O-CB 3.44Å; H123-L128 PolarHBondContact O-N 3.03Å
124Y87Confident87.8Confident92 Ų9263 Ų6336%0.36135%0.353SS..Iπ-helixtrans-75.9-30.7-175.9-76.1-67.6000114.6P21 C22 S120 V121 L128 P129P21-Y124 HydrophobicContact CB-CE1 4.5Å; P21-Y124 HydrophobicContact CG-CD1 3.82Å; P21-Y124 HydrophobicContact CG-CE1 3.6Å; P21-Y124 HydrophobicContact CG-CG 4.38Å; C22-Y124 HydrophobicContact CB-CD2 3.49Å; C22-Y124 VanDerWaalsContact CB-CD2 3.49Å; C22-Y124 HydrophobicContact CB-CE2 4.34Å; C22-Y124 HydrophobicContact CB-CG 3.99Å; S120-Y124 WeakPolarHBondContact O-CD2 3.42Å; S120-Y124 PolarHBondContact O-N 3.26Å; S120-Y124 VanDerWaalsContact O-N 3.11Å; V121-Y124 PolarHBondContact O-N 2.93Å; Y124-L128 HydrophobicContact CD1-CD2 4.18Å; Y124-P129 WeakPolarHBondContact O-CD 3.49Å
125H85.6Confident87.9Confident41 Ų4167.4 Ų67.419%0.1937%0.374CS..Iπ-helixtrans-101.8-16-173.9-70.5-81.1000114.6C20 C22 C25 F37 F43 V121C20-H125 PolarHBondContact SG-NE2 3.11Å; C22-H125 PolarHBondContact SG-NE2 3.44Å; C25-H125 PolarHBondContact SG-CE1 3.46Å; C25-H125 PolarHBondContact SG-NE2 3.12Å; F37-H125 HydrophobicContact CD1-CB 4.47Å; F37-H125 HydrophobicContact CE1-CB 4.27Å; F37-H125 AromaticContact CE1-CD2 3.68Å; F37-H125 AromaticContact CE1-CE1 4Å; F37-H125 AromaticContact CE1-CG 3.67Å; F37-H125 AromaticContact CE1-ND1 3.88Å; F37-H125 AromaticContact CE1-NE2 3.9Å; F37-H125 AromaticContact CZ-CD2 3.95Å; F37-H125 AromaticContact CZ-CE1 3.52Å; F37-H125 AromaticContact CZ-CG 3.98Å; F37-H125 AromaticContact CZ-ND1 3.73Å; F37-H125 AromaticContact CZ-NE2 3.67Å; F43-H125 HydrophobicContact CE1-CB 4.3Å; F43-H125 HydrophobicContact CZ-CB 3.76Å; V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.2Å; V121-H125 PolarHBondContact O-N 3.36Å
126V83.6Confident87.9Confident21 Ų2166.3 Ų66.313%0.12737%0.37CS..Iπ-helixtrans-123.9-59.5-179.7-176.20000110.7L39 F43 L122 P129 L130L39-V126 HydrophobicContact CD2-CG1 4.42Å; F43-V126 HydrophobicContact CD1-CG2 4.06Å; F43-V126 HydrophobicContact CD2-CG2 3.79Å; F43-V126 HydrophobicContact CE1-CG2 3.96Å; F43-V126 HydrophobicContact CE2-CG2 3.66Å; F43-V126 HydrophobicContact CG-CG2 3.98Å; F43-V126 HydrophobicContact CZ-CG2 3.74Å; L122-V126 HydrophobicContact CD1-CB 4Å; L122-V126 HydrophobicContact CD1-CG1 4.46Å; L122-V126 HydrophobicContact CD1-CG2 3.86Å; L122-V126 WeakPolarHBondContact O-CA 3.42Å; L122-V126 WeakPolarHBondContact O-CB 3.45Å; L122-V126 PolarHBondContact O-N 2.94Å; V126-P129 WeakPolarHBondContact O-CD 3.46Å; V126-L130 HydrophobicContact CG1-CD1 3.85Å; V126-L130 WeakPolarHBondContact O-CB 3.36Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.49Å; V126-L130 VanDerWaalsContact O-N 3.14Å
127I86.3Confident88Confident84 Ų8468 Ų6843%0.43138%0.376SS..Iπ-helixtrans-66.4-50.3-170.7-58.2178.5000111.3L122 H123 L130 S131L122-I127 HydrophobicContact CD2-CD1 4.4Å; L122-I127 HydrophobicContact CG-CD1 4.42Å; L122-I127 HydrophobicContact CG-CG1 4.47Å; L122-I127 PolarHBondContact O-N 3.08Å; L122-I127 VanDerWaalsContact O-N 3.08Å; H123-I127 PolarHBondContact O-N 3.41Å; I127-L130 PolarHBondContact O-N 3.26Å; I127-S131 WeakPolarHBondContact O-CB 3.46Å; I127-S131 PolarHBondContact O-N 3.43Å
128L87.7Confident88.1Confident51 Ų5170.1 Ų70.127%0.26739%0.39SS..Hα-helixtrans-65.9-46.3-175.9-171.574.8000112.4H123 Y124 L130 S131 F132H123-L128 VanDerWaalsContact O-CB 3.31Å; H123-L128 WeakPolarHBondContact O-CB 3.44Å; H123-L128 PolarHBondContact O-N 3.03Å; Y124-L128 HydrophobicContact CD1-CD2 4.18Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 3.4Å; L128-S131 WeakPolarHBondContact O-CB 3.41Å; L128-S131 PolarHBondContact O-N 3.32Å; L128-F132 HydrophobicContact CD1-CE1 4.12Å; L128-F132 HydrophobicContact CD1-CE2 3.89Å; L128-F132 HydrophobicContact CD1-CZ 3.61Å; L128-F132 HydrophobicContact CD2-CE2 3.78Å; L128-F132 HydrophobicContact CD2-CZ 4.12Å; L128-F132 HydrophobicContact CG-CD2 4.07Å; L128-F132 HydrophobicContact CG-CE2 3.48Å; L128-F132 VanDerWaalsContact CG-CE2 3.48Å; L128-F132 HydrophobicContact CG-CZ 3.78Å; L128-F132 WeakPolarHBondContact O-CD2 3.45Å; L128-F132 WeakPolarHBondContact O-CG 3.37Å; L128-F132 PolarHBondContact O-N 3.17Å
129P85.3Confident88.5Confident63 Ų6372.1 Ų72.141%0.40939%0.392SS..Hα-helixtrans-58.8-41.6173.3-26.836.5000113.5Y124 V126 F132 A133Y124-P129 WeakPolarHBondContact O-CD 3.49Å; V126-P129 WeakPolarHBondContact O-CD 3.46Å; P129-F132 PolarHBondContact O-N 3.46Å; P129-A133 WeakPolarHBondContact O-CB 3.45Å; P129-A133 PolarHBondContact O-N 3.45Å
130L86.5Confident88.9Confident111 Ų11174 Ų7458%0.58139%0.389SS*.Hα-helixtrans-65.8-40.2176.5-72.4174.3000111.9V126 I127 L128 A133 L134V126-L130 HydrophobicContact CG1-CD1 3.85Å; V126-L130 WeakPolarHBondContact O-CB 3.36Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.49Å; V126-L130 VanDerWaalsContact O-N 3.14Å; I127-L130 PolarHBondContact O-N 3.26Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 3.4Å; L130-A133 PolarHBondContact O-N 3.13Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 PolarHBondContact O-N 3.07Å
131S91.5Very high89.2Confident63 Ų6377 Ų7744%0.44140%0.399SS..Hα-helixtrans-59-47.9174.9-174.10000111.3I127 L128 L134 E135I127-S131 WeakPolarHBondContact O-CB 3.46Å; I127-S131 PolarHBondContact O-N 3.43Å; L128-S131 WeakPolarHBondContact O-CB 3.41Å; L128-S131 PolarHBondContact O-N 3.32Å; S131-L134 PolarHBondContact O-N 2.9Å; S131-E135 WeakPolarHBondContact O-CB 3.05Å; S131-E135 PolarHBondContact O-N 3.43Å
132F90.5Very high89.5Confident117 Ų11781.5 Ų81.551%0.51342%0.423SS..Hα-helixtrans-66.6-38.1177.1-66.5-33.3000113.2L128 P129 L134 E135 S136L128-F132 HydrophobicContact CD1-CE1 4.12Å; L128-F132 HydrophobicContact CD1-CE2 3.89Å; L128-F132 HydrophobicContact CD1-CZ 3.61Å; L128-F132 HydrophobicContact CD2-CE2 3.78Å; L128-F132 HydrophobicContact CD2-CZ 4.12Å; L128-F132 HydrophobicContact CG-CD2 4.07Å; L128-F132 HydrophobicContact CG-CE2 3.48Å; L128-F132 VanDerWaalsContact CG-CE2 3.48Å; L128-F132 HydrophobicContact CG-CZ 3.78Å; L128-F132 WeakPolarHBondContact O-CD2 3.45Å; L128-F132 WeakPolarHBondContact O-CG 3.37Å; L128-F132 PolarHBondContact O-N 3.17Å; P129-F132 PolarHBondContact O-N 3.46Å; F132-L134 VanDerWaalsContact C-N 3.34Å; F132-E135 PolarHBondContact O-N 2.97Å; F132-S136 WeakPolarHBondContact O-CB 3.4Å; F132-S136 PolarHBondContact O-N 2.92Å
133A89.2Confident89.9Confident49 Ų4983.3 Ų83.341%0.40543%0.432SS..Hα-helixtrans-62.6-44174.800000111.1P129 L130 S136 L137P129-A133 WeakPolarHBondContact O-CB 3.45Å; P129-A133 PolarHBondContact O-N 3.45Å; L130-A133 PolarHBondContact O-N 3.13Å; A133-S136 WeakPolarHBondContact O-CB 3.31Å; A133-S136 PolarHBondContact O-N 3.12Å; A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 2.93Å
134L88.8Confident90.1Very high110 Ų11083.8 Ų83.858%0.57644%0.437SS*.Hα-helixtrans-62.7-47.5176.1-179.162.2000111.5L130 S131 F132 S136 L137 C138L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 PolarHBondContact O-N 3.07Å; S131-L134 PolarHBondContact O-N 2.9Å; F132-L134 VanDerWaalsContact C-N 3.34Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 2.97Å; L134-L137 PolarHBondContact O-N 3.35Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L134-C138 PolarHBondContact O-N 3.32Å; L134-C138 PolarHBondContact O-SG 3.45Å; L134-C138 VanDerWaalsContact O-SG 3.35Å
135E93.8Very high90.5Very high93 Ų9382.5 Ų82.544%0.43544%0.437SS..Hα-helixtrans-58.8-41.3176.7-166.9-169.7161.400111.5S131 F132 C138 K139S131-E135 WeakPolarHBondContact O-CB 3.05Å; S131-E135 PolarHBondContact O-N 3.43Å; F132-E135 PolarHBondContact O-N 2.97Å; E135-C138 PolarHBondContact O-N 2.87Å; E135-K139 WeakPolarHBondContact O-CG 3.47Å; E135-K139 PolarHBondContact O-N 2.9Å; E135-K139 VanDerWaalsContact OE1-CE 3.22Å; E135-K139 WeakPolarHBondContact OE1-CE 3.34Å; E135-K139 IonicContact OE1-NZ 2.77Å; E135-K139 PolarHBondContact OE1-NZ 3.37Å
136S92.9Very high91Very high53 Ų5385.5 Ų85.537%0.37145%0.454SS..Hα-helixtrans-62.6-42175.4-170.50000112.3F132 A133 L134 K139 K140F132-S136 WeakPolarHBondContact O-CB 3.4Å; F132-S136 PolarHBondContact O-N 2.92Å; A133-S136 WeakPolarHBondContact O-CB 3.31Å; A133-S136 PolarHBondContact O-N 3.12Å; L134-S136 VanDerWaalsContact C-N 3.28Å; L134-S136 PolarHBondContact O-N 2.97Å; S136-K139 PolarHBondContact O-N 3.33Å; S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.14Å
137L91.7Very high91.5Very high107 Ų10790.6 Ų90.656%0.5648%0.475SS*.Hα-helixtrans-65.5-43.9177.4-72.8166.8000111.6A133 L134 K139 K140 Q141A133-L137 VanDerWaalsContact O-CG 3.31Å; A133-L137 WeakPolarHBondContact O-CG 3.36Å; A133-L137 PolarHBondContact O-N 2.93Å; L134-L137 PolarHBondContact O-N 3.35Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L137-K139 PolarHBondContact O-N 3.34Å; L137-K140 WeakPolarHBondContact O-CB 3.43Å; L137-K140 PolarHBondContact O-N 3.41Å; L137-Q141 PolarHBondContact O-N 3.23Å
138C91.8Very high91.9Very high67 Ų6791.3 Ų91.345%0.45348%0.479SS..Hα-helixtrans-58.8-46.8175.1-670000111.5L134 E135 K140 Q141 D142L134-C138 PolarHBondContact O-N 3.32Å; L134-C138 PolarHBondContact O-SG 3.45Å; L134-C138 VanDerWaalsContact O-SG 3.35Å; E135-C138 PolarHBondContact O-N 2.87Å; C138-K140 VanDerWaalsContact C-N 3.3Å; C138-K140 PolarHBondContact O-N 3.42Å; C138-Q141 WeakPolarHBondContact O-CB 3.32Å; C138-Q141 PolarHBondContact O-N 3.35Å; C138-Q141 VanDerWaalsContact O-N 3.07Å; C138-D142 PolarHBondContact O-N 3.36Å
139K93.7Very high92.3Very high124 Ų12494.3 Ų94.354%0.53950%0.495SS..Hα-helixtrans-59.4-39.1175.8-72.9173.9-175.9168.40112.6E135 S136 L137 L143E135-K139 WeakPolarHBondContact O-CG 3.47Å; E135-K139 PolarHBondContact O-N 2.9Å; E135-K139 VanDerWaalsContact OE1-CE 3.22Å; E135-K139 WeakPolarHBondContact OE1-CE 3.34Å; E135-K139 IonicContact OE1-NZ 2.77Å; E135-K139 PolarHBondContact OE1-NZ 3.37Å; S136-K139 PolarHBondContact O-N 3.33Å; L137-K139 PolarHBondContact O-N 3.34Å; K139-L143 WeakPolarHBondContact O-CB 3.21Å; K139-L143 PolarHBondContact O-N 3.24Å
140K93.6Very high92.7Very high132 Ų13294.3 Ų94.357%0.57450%0.5SS*.Hα-helixtrans-66.5-38.4175.2-73.8174.5-175.8175.40111.8S136 L137 C138 L143 L144S136-K140 WeakPolarHBondContact O-CG 3.48Å; S136-K140 PolarHBondContact O-N 3.14Å; L137-K140 WeakPolarHBondContact O-CB 3.43Å; L137-K140 PolarHBondContact O-N 3.41Å; C138-K140 VanDerWaalsContact C-N 3.3Å; C138-K140 PolarHBondContact O-N 3.42Å; K140-L143 PolarHBondContact O-N 2.97Å; K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 PolarHBondContact O-N 2.86Å
141Q93.6Very high93.1Very high97 Ų9794.6 Ų94.645%0.45350%0.501SS..Hα-helixtrans-64.3-45175.9-175.461.736.100111.5L137 C138 L143 L144 N145L137-Q141 PolarHBondContact O-N 3.23Å; C138-Q141 WeakPolarHBondContact O-CB 3.32Å; C138-Q141 PolarHBondContact O-N 3.35Å; C138-Q141 VanDerWaalsContact O-N 3.07Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.27Å; Q141-L144 WeakPolarHBondContact O-CB 3.36Å; Q141-L144 PolarHBondContact O-N 2.85Å; Q141-L144 VanDerWaalsContact O-N 3.12Å; Q141-N145 PolarHBondContact NE2-OD1 2.92Å; Q141-N145 VanDerWaalsContact NE2-OD1 3.13Å; Q141-N145 PolarHBondContact O-N 3.3Å
142D92.6Very high93.2Very high94 Ų9496 Ų9650%0.50350%0.504SS..Hα-helixtrans-61.1-42.5176.4-68.7-25.3000111.3C138 L144 N145 N146C138-D142 PolarHBondContact O-N 3.36Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.4Å; D142-N145 PolarHBondContact O-N 3.11Å; D142-N146 WeakPolarHBondContact O-CB 3.47Å; D142-N146 VanDerWaalsContact O-CG 3.28Å; D142-N146 PolarHBondContact O-N 2.97Å; D142-N146 PolarHBondContact O-ND2 3.36Å
143L94.1Very high93.4Very high97 Ų9796 Ų9651%0.50851%0.505SS..Hα-helixtrans-60.5-41.7174-178.363.8000111.9K139 K140 Q141 K147K139-L143 WeakPolarHBondContact O-CB 3.21Å; K139-L143 PolarHBondContact O-N 3.24Å; K140-L143 PolarHBondContact O-N 2.97Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.27Å; L143-K147 WeakPolarHBondContact O-CG 3.49Å; L143-K147 PolarHBondContact O-N 3.37Å; L143-K147 VanDerWaalsContact O-N 3.08Å
144L93.3Very high93.5Very high93 Ų9399 Ų9949%0.48751%0.51SS..Hα-helixtrans-64.5-45.2177.6-15994.5000111.3K140 Q141 D142 N146 K147 L148K140-L144 WeakPolarHBondContact O-CB 3.35Å; K140-L144 PolarHBondContact O-N 2.86Å; Q141-L144 WeakPolarHBondContact O-CB 3.36Å; Q141-L144 PolarHBondContact O-N 2.85Å; Q141-L144 VanDerWaalsContact O-N 3.12Å; D142-L144 VanDerWaalsContact C-N 3.32Å; D142-L144 PolarHBondContact O-N 3.4Å; L144-N146 VanDerWaalsContact C-N 3.35Å; L144-N146 PolarHBondContact O-N 3.08Å; L144-K147 PolarHBondContact O-N 2.96Å; L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 PolarHBondContact O-N 3.05Å
145N94.8Very high93.7Very high66 Ų6696.1 Ų96.135%0.35350%0.503SS..Hα-helixtrans-60.2-44.2177.6-73.2-18.2000111.5Q141 D142 K147 L148 L149Q141-N145 PolarHBondContact NE2-OD1 2.92Å; Q141-N145 VanDerWaalsContact NE2-OD1 3.13Å; Q141-N145 PolarHBondContact O-N 3.3Å; D142-N145 PolarHBondContact O-N 3.11Å; N145-K147 VanDerWaalsContact C-N 3.34Å; N145-K147 PolarHBondContact O-N 3.38Å; N145-L148 PolarHBondContact O-N 3.33Å; N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 2.7Å
146N94.9Very high93.5Very high104 Ų10495.8 Ų95.856%0.55650%0.504SS*.Hα-helixtrans-62.6-40.4176.3-72.7-27.5000112.2D142 L144 L149 A150D142-N146 WeakPolarHBondContact O-CB 3.47Å; D142-N146 VanDerWaalsContact O-CG 3.28Å; D142-N146 PolarHBondContact O-N 2.97Å; D142-N146 PolarHBondContact O-ND2 3.36Å; L144-N146 VanDerWaalsContact C-N 3.35Å; L144-N146 PolarHBondContact O-N 3.08Å; N146-L149 PolarHBondContact O-N 3.02Å; N146-A150 PolarHBondContact O-N 3.42Å
147K94.7Very high93.4Very high128 Ų12899.4 Ų99.456%0.55751%0.51SS*.Hα-helixtrans-64.9-41175-74.8-178.4177.6-172.80112.2L143 L144 N145 A150 L151L143-K147 WeakPolarHBondContact O-CG 3.49Å; L143-K147 PolarHBondContact O-N 3.37Å; L143-K147 VanDerWaalsContact O-N 3.08Å; L144-K147 PolarHBondContact O-N 2.96Å; N145-K147 VanDerWaalsContact C-N 3.34Å; N145-K147 PolarHBondContact O-N 3.38Å; K147-A150 PolarHBondContact O-N 3.27Å; K147-L151 WeakPolarHBondContact O-CG 3.38Å; K147-L151 PolarHBondContact O-N 2.93Å
148L95.1Very high93.3Very high99 Ų9998.2 Ų98.252%0.51850%0.504SS..Hα-helixtrans-62.6-43.7176.2-78.8165.3000111.8L144 N145 A150 L151 N152L144-L148 HydrophobicContact CD2-CD1 4.32Å; L144-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact O-N 3.33Å; L148-A150 PolarHBondContact O-N 3.38Å; L148-L151 PolarHBondContact O-N 3.41Å; L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 PolarHBondContact O-N 3.48Å
149L95.9Very high93Very high114 Ų114100.2 Ų100.260%0.59751%0.506SS*.Hα-helixtrans-60.4-44.7175.3-74.7168.1000111.8N145 N146 L151 N152 H153N145-L149 WeakPolarHBondContact O-CG 3.44Å; N145-L149 PolarHBondContact O-N 2.7Å; N146-L149 PolarHBondContact O-N 3.02Å; L149-L151 PolarHBondContact O-N 3.24Å; L149-N152 PolarHBondContact O-N 2.96Å; L149-H153 WeakPolarHBondContact O-CB 3.43Å; L149-H153 PolarHBondContact O-N 3.14Å
150A94.8Very high92.7Very high63 Ų63100.3 Ų100.352%0.52151%0.508SS..Hα-helixtrans-62.9-42.1177.400000112.3N146 K147 L148 H153 H154N146-A150 PolarHBondContact O-N 3.42Å; K147-A150 PolarHBondContact O-N 3.27Å; L148-A150 PolarHBondContact O-N 3.38Å; A150-H153 PolarHBondContact O-N 3.15Å; A150-H154 WeakPolarHBondContact O-CB 3.43Å; A150-H154 PolarHBondContact O-N 3.43Å
151L94.6Very high92.3Very high116 Ų116100.8 Ų100.861%0.60751%0.51SS*.Hα-helixtrans-63.3-44.2174.8-77.9168.4000111.7K147 L148 L149 H153 H154 A155K147-L151 WeakPolarHBondContact O-CG 3.38Å; K147-L151 PolarHBondContact O-N 2.93Å; L148-L151 PolarHBondContact O-N 3.41Å; L149-L151 PolarHBondContact O-N 3.24Å; L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.07Å; L151-H154 WeakPolarHBondContact O-CB 3.41Å; L151-H154 PolarHBondContact O-N 3.46Å; L151-H154 VanDerWaalsContact O-N 3.14Å; L151-A155 WeakPolarHBondContact O-CB 3.4Å; L151-A155 PolarHBondContact O-N 3.32Å
152N93.6Very high91.7Very high92 Ų92102.8 Ų102.849%0.49252%0.523SS..Hα-helixtrans-62.2-43.3178.4-165.132.5000111.2L148 L149 H154 A155 N156L148-N152 WeakPolarHBondContact O-CB 3.34Å; L148-N152 PolarHBondContact O-N 3.48Å; L149-N152 PolarHBondContact O-N 2.96Å; N152-H154 VanDerWaalsContact C-N 3.32Å; N152-H154 PolarHBondContact O-N 3.47Å; N152-A155 PolarHBondContact O-N 2.88Å; N152-N156 WeakPolarHBondContact O-CB 3.48Å; N152-N156 VanDerWaalsContact O-CG 3.29Å; N152-N156 PolarHBondContact O-N 3.48Å; N152-N156 PolarHBondContact O-ND2 3.06Å
153H93.5Very high90.8Very high119 Ų119104.5 Ų104.555%0.55153%0.53SS*.Hα-helixtrans-61.8-39.8173.8-176.4-87.9000112.1L149 A150 L151 R157L149-H153 WeakPolarHBondContact O-CB 3.43Å; L149-H153 PolarHBondContact O-N 3.14Å; A150-H153 PolarHBondContact O-N 3.15Å; L151-H153 VanDerWaalsContact C-N 3.34Å; L151-H153 PolarHBondContact O-N 3.07Å; H153-R157 VanDerWaalsContact CE1-CD 3.41Å; H153-R157 WeakPolarHBondContact CE1-CD 3.44Å; H153-R157 WeakPolarHBondContact O-CG 3.41Å; H153-R157 PolarHBondContact O-N 3.45Å
154H92.8Very high89.2Confident110 Ų110105.8 Ų105.851%0.50954%0.537SS..Hα-helixtrans-65.9-42.6175.7-164.477.4000112.3A150 L151 N152 R157 L158A150-H154 WeakPolarHBondContact O-CB 3.43Å; A150-H154 PolarHBondContact O-N 3.43Å; L151-H154 WeakPolarHBondContact O-CB 3.41Å; L151-H154 PolarHBondContact O-N 3.46Å; L151-H154 VanDerWaalsContact O-N 3.14Å; N152-H154 VanDerWaalsContact C-N 3.32Å; N152-H154 PolarHBondContact O-N 3.47Å; H154-R157 PolarHBondContact O-N 2.91Å; H154-L158 VanDerWaalsContact CD2-CD1 3.45Å; H154-L158 WeakPolarHBondContact CD2-CD1 3.38Å; H154-L158 PolarHBondContact O-N 2.95Å
155A91.2Very high87.3Confident51 Ų51105.6 Ų105.642%0.42154%0.541SS..Hα-helixtrans-61.4-44.9176.100000111.6L151 N152 R157 L158 H159L151-A155 WeakPolarHBondContact O-CB 3.4Å; L151-A155 PolarHBondContact O-N 3.32Å; N152-A155 PolarHBondContact O-N 2.88Å; A155-R157 PolarHBondContact O-N 2.96Å; A155-L158 WeakPolarHBondContact O-CB 3.47Å; A155-L158 PolarHBondContact O-N 3.45Å; A155-H159 WeakPolarHBondContact O-CB 3.22Å; A155-H159 PolarHBondContact O-N 3.34Å
156N90.8Very high85.5Confident85 Ų85114.2 Ų114.246%0.45557%0.569SS.*Hα-helixtrans-60.7-45.3175.8-71.5-17.5000111.8N152 L158 H159 E160N152-N156 WeakPolarHBondContact O-CB 3.48Å; N152-N156 VanDerWaalsContact O-CG 3.29Å; N152-N156 PolarHBondContact O-N 3.48Å; N152-N156 PolarHBondContact O-ND2 3.06Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.23Å; N156-H159 WeakPolarHBondContact O-CB 3.5Å; N156-H159 PolarHBondContact O-N 2.87Å; N156-E160 WeakPolarHBondContact O-CG 3.08Å; N156-E160 PolarHBondContact O-N 3.05Å
157R90.3Very high83.3Confident129 Ų129121.5 Ų121.549%0.48760%0.596SS.*Hα-helixtrans-63.1-37.1175.9-74.7-176.867.3-171.96113.3H153 H154 A155 K161H153-R157 VanDerWaalsContact CE1-CD 3.41Å; H153-R157 WeakPolarHBondContact CE1-CD 3.44Å; H153-R157 WeakPolarHBondContact O-CG 3.41Å; H153-R157 PolarHBondContact O-N 3.45Å; H154-R157 PolarHBondContact O-N 2.91Å; A155-R157 PolarHBondContact O-N 2.96Å; R157-K161 WeakPolarHBondContact O-CG 3.48Å; R157-K161 PolarHBondContact O-N 3.42Å; R157-K161 VanDerWaalsContact O-N 3.15Å
158L88.7Confident82.7Confident83 Ų83121.2 Ų121.244%0.43560%0.598SS.*Hα-helixtrans-65.6-44.3174.1-89.6160000110.9H154 A155 N156 K161 L162H154-L158 VanDerWaalsContact CD2-CD1 3.45Å; H154-L158 WeakPolarHBondContact CD2-CD1 3.38Å; H154-L158 PolarHBondContact O-N 2.95Å; A155-L158 WeakPolarHBondContact O-CB 3.47Å; A155-L158 PolarHBondContact O-N 3.45Å; N156-L158 VanDerWaalsContact C-N 3.33Å; N156-L158 PolarHBondContact O-N 3.23Å; L158-K161 PolarHBondContact O-N 2.96Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.03Å
159H86.6Confident82.1Confident108 Ų108122.3 Ų122.350%0.560%0.602SS.*Hα-helixtrans-58.8-48.9176.9-174.379.7000111.6A155 N156 K161 L162 M163A155-H159 WeakPolarHBondContact O-CB 3.22Å; A155-H159 PolarHBondContact O-N 3.34Å; N156-H159 WeakPolarHBondContact O-CB 3.5Å; N156-H159 PolarHBondContact O-N 2.87Å; H159-K161 VanDerWaalsContact C-N 3.33Å; H159-K161 PolarHBondContact O-N 3.46Å; H159-L162 PolarHBondContact O-N 2.65Å; H159-L162 VanDerWaalsContact O-N 3.14Å; H159-M163 VanDerWaalsContact CE1-CE 3.42Å; H159-M163 WeakPolarHBondContact CE1-CE 3.31Å; H159-M163 WeakPolarHBondContact O-CG 3.47Å; H159-M163 PolarHBondContact O-N 2.93Å
160E86.9Confident81.3Confident127 Ų127122.8 Ų122.859%0.59360%0.602SS**Hα-helixtrans-56.9-44.2175.7-73.6172.3176.100112.3N156 L162 M163 L164N156-E160 WeakPolarHBondContact O-CG 3.08Å; N156-E160 PolarHBondContact O-N 3.05Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3Å; E160-M163 PolarHBondContact O-N 3.35Å; E160-L164 PolarHBondContact O-N 2.89Å
161K85.6Confident80.5Confident141 Ų141126.3 Ų126.361%0.61361%0.607SS**Hα-helixtrans-63.7-34.3177.6-78.3-178.2176.3-172.50113.5R157 L158 H159R157-K161 WeakPolarHBondContact O-CG 3.48Å; R157-K161 PolarHBondContact O-N 3.42Å; R157-K161 VanDerWaalsContact O-N 3.15Å; L158-K161 PolarHBondContact O-N 2.96Å; H159-K161 VanDerWaalsContact C-N 3.33Å; H159-K161 PolarHBondContact O-N 3.46Å
162L80.5Confident79.6Confident139 Ų139126.9 Ų126.973%0.72861%0.607SS**Hα-helixtrans-79.3-26.5-179.8-70.4169.5000112.6L158 H159 E160L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 3.03Å; H159-L162 PolarHBondContact O-N 2.65Å; H159-L162 VanDerWaalsContact O-N 3.14Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3Å
163M74.2Confident78.7Confident131 Ų131129.3 Ų129.365%0.64562%0.615SS**Hα-helixtrans-84.5-6.9179.8-71.3-64-148.600114H159 E160H159-M163 VanDerWaalsContact CE1-CE 3.42Å; H159-M163 WeakPolarHBondContact CE1-CE 3.31Å; H159-M163 WeakPolarHBondContact O-CG 3.47Å; H159-M163 PolarHBondContact O-N 2.93Å; E160-M163 PolarHBondContact O-N 3.35Å
164L59.5Low77.7Confident124 Ų124130 Ų13065%0.64962%0.619SS**SBendtrans-70.3124.7171.9-73.6166000109.6E160 R166E160-L164 PolarHBondContact O-N 2.89Å; L164-R166 PolarHBondContact O-N 2.77Å
165P54.8Low76.5Confident89 Ų89131.5 Ų131.558%0.57863%0.628SS**  trans-61.2130.5178.822.8-29.7000109.4F167P165-F167 WeakPolarHBondContact O-CD2 3.15Å; P165-F167 PolarHBondContact O-N 3.05Å
166R55.7Low75.3Confident246 Ų246138.3 Ų138.393%0.92865%0.645SS**  trans-68.1102.7169.4-67.2-172.8-178.6-168.30.9107L164L164-R166 PolarHBondContact O-N 2.77Å
167F49.7Very low73.9Confident257 Ų257143.1 Ų143.1100%1.12766%0.662SS**  trans-60.80167.8-69.7-84.1000110.8P165P165-F167 WeakPolarHBondContact O-CD2 3.15Å; P165-F167 PolarHBondContact O-N 3.05Å

Retrieved 167 of 167 residues in 39.5 ms (Link to these results)

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