A0A3Q0KMM4_SCHMA Loading...

Ribonuclease P/MRP protein subunit POP5

Component of ribonuclease P, a protein complex that generates mature tRNA molecules by cleaving their 5'-ends.

AlphaFold DB , UniProt , Accession A0A3Q0KMM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 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
1M68.9Low90.2Very high238 Ų23880 Ų80100%1.17238%0.379SS*.  0112.50-171.4168.777.600109.4
2V77Confident90.6Very high140 Ų14073.6 Ų73.685%0.84835%0.348SS*.  trans-82.6120179178.60000109.3I4V2-I4 PolarHBondContact O-N 3.13Å
3R87.1Confident90.9Very high200 Ų20067.9 Ų67.976%0.75532%0.321SS*.  trans-82112.9178.3-178175.5177.9175.43.3110.6K5R3-K5 HydrophobicContact CG-CG 4.25Å; R3-K5 PolarHBondContact O-N 3.48Å
4I86.4Confident91Very high111 Ų11163.2 Ų63.257%0.56930%0.299SS*.  trans-74123.6173.1-53.5176.6000109.2V2 L86V2-I4 PolarHBondContact O-N 3.13Å; I4-L86 HydrophobicContact CG2-CD2 3.44Å; I4-L86 VanDerWaalsContact CG2-CD2 3.44Å
5K93.6Very high91Very high102 Ų10259.5 Ų59.544%0.44328%0.282SS..  trans-115.7133.9178.7-66-177.5-178.7177.10110.2R3 R87R3-K5 HydrophobicContact CG-CG 4.25Å; R3-K5 PolarHBondContact O-N 3.48Å; K5-R87 HydrophobicContact CB-CB 4.08Å; K5-R87 WeakPolarHBondContact O-CB 3.33Å; K5-R87 PolarHBondContact O-N 2.91Å
6N94.7Very high90.8Very high25 Ų2556.9 Ų56.913%0.13427%0.27CS..EExtended strand (participates in β ladder)trans-103.2163.2177-60-35.3000111.6R68 R84 C85N6-R68 PolarHBondContact ND2-NH1 3.24Å; N6-R68 VanDerWaalsContact ND2-NH1 3.12Å; N6-R68 PolarHBondContact OD1-NH1 3.11Å; N6-R84 HydrophobicContact CB-CG 4.31Å; N6-R84 PolarHBondContact ND2-NE 2.95Å; N6-R84 PolarHBondContact ND2-NH2 3.29Å; N6-C85 CarbonylContact C-O 3.45Å; N6-C85 WeakPolarHBondContact CA-O 3.49Å; N6-C85 WeakPolarHBondContact CB-O 3.39Å
7R96.2Very high90.5Very high58 Ų5854.5 Ų54.522%0.21926%0.26CS..EExtended strand (participates in β ladder)trans-128.1147.4169.5-68.1-61.2-165.8173.78.1109.7R84 C85 R87 T119 S120R7-R84 WeakPolarHBondContact O-CA 3.2Å; R7-C85 PolarHBondContact N-O 2.84Å; R7-C85 PolarHBondContact O-N 2.81Å; R7-R87 HydrophobicContact CG-CB 3.92Å; R7-R87 HydrophobicContact CG-CG 4.17Å; R7-T119 HydrophobicContact CB-CG2 4.21Å; R7-T119 HydrophobicContact CG-CG2 4.3Å; R7-S120 WeakPolarHBondContact CA-O 3.33Å; R7-S120 WeakPolarHBondContact CD-O 3.22Å
8Y97.3Very high90.1Very high6 Ų656.7 Ų56.72%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-112.5117.2173.2-63.8-97.3000107.5I72 I82 I83 R84 T119 S120 V123Y8-I72 HydrophobicContact CE1-CG1 4.38Å; Y8-I82 HydrophobicContact CD1-CG2 4.47Å; Y8-I83 CarbonylContact C-O 3.58Å; Y8-I83 VanDerWaalsContact CA-O 3.28Å; Y8-I83 WeakPolarHBondContact CA-O 3.3Å; Y8-R84 HydrophobicContact CD1-CB 4.29Å; Y8-R84 HydrophobicContact CE1-CB 4.13Å; Y8-R84 HydrophobicContact CE1-CG 4.15Å; Y8-T119 CarbonylContact O-C 3.49Å; Y8-T119 WeakPolarHBondContact O-CA 3.38Å; Y8-S120 PolarHBondContact N-O 2.66Å; Y8-S120 PolarHBondContact O-N 3.32Å; Y8-V123 HydrophobicContact CE1-CG2 3.67Å; Y8-V123 HydrophobicContact CE2-CG2 4.06Å; Y8-V123 VanDerWaalsContact CZ-CG2 3.4Å; Y8-V123 VanDerWaalsContact OH-CG2 3.27Å; Y8-V123 WeakPolarHBondContact OH-CG2 3.43Å
9L97.8Very high89.5Confident0 Ų061.6 Ų61.60%030%0.298CS..EExtended strand (participates in β ladder)trans-96.5120.9176.9-53.4179.6000107.6I82 I83 I93 Q94 L97 T119L9-I82 WeakPolarHBondContact O-CA 3.49Å; L9-I83 HydrophobicContact CB-CB 4.29Å; L9-I83 PolarHBondContact N-O 3.28Å; L9-I83 PolarHBondContact O-N 3.02Å; L9-I93 HydrophobicContact CD1-CB 4.32Å; L9-I93 HydrophobicContact CD1-CG2 3.77Å; L9-Q94 HydrophobicContact CD1-CG 4.02Å; L9-Q94 HydrophobicContact CD2-CG 4.05Å; L9-Q94 VanDerWaalsContact CD2-NE2 3.34Å; L9-L97 HydrophobicContact CD1-CD1 4.38Å; L9-T119 HydrophobicContact CD2-CG2 3.86Å; L9-T119 WeakPolarHBondContact CD2-OG1 3.28Å
10V97.2Very high88.9Confident0 Ų060.7 Ų60.70%030%0.298CS..EExtended strand (participates in β ladder)trans-95.1114.7171.8-176.30000107.3F12 L80 Y117 H118 C126 F129 L130V10-F12 HydrophobicContact CG1-CE2 4.49Å; V10-L80 HydrophobicContact CG1-CD1 3.7Å; V10-Y117 PolarHBondContact O-N 2.92Å; V10-H118 HydrophobicContact CB-CB 4.12Å; V10-H118 HydrophobicContact CG2-CB 4.32Å; V10-H118 PolarHBondContact N-O 3.38Å; V10-H118 PolarHBondContact O-N 3.46Å; V10-C126 WeakPolarHBondContact CG2-SG 3.28Å; V10-F129 HydrophobicContact CB-CD1 4.4Å; V10-F129 HydrophobicContact CB-CE1 4.2Å; V10-F129 HydrophobicContact CG1-CD1 4.26Å; V10-F129 HydrophobicContact CG1-CE1 3.86Å; V10-F129 HydrophobicContact CG2-CD1 4.11Å; V10-F129 HydrophobicContact CG2-CE1 4.42Å; V10-L130 HydrophobicContact CG1-CD2 3.96Å
11C96.5Very high88.2Confident0 Ų064.8 Ų64.80%032%0.321CS..EExtended strand (participates in β ladder)trans-123.2153.3-176.4-45.30000110.2L81 I114 D115C11-L81 HydrophobicContact CB-CB 4.29Å; C11-L81 PolarHBondContact N-O 3.32Å; C11-L81 PolarHBondContact O-N 3.22Å; C11-I114 HydrophobicContact CB-CG2 3.94Å; C11-D115 CarbonylContact C-O 3.54Å; C11-D115 WeakPolarHBondContact CA-O 3.13Å; C11-D115 WeakPolarHBondContact CB-O 3.17Å
12F94.8Very high88.2Confident3 Ų358.6 Ų58.61%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-120.8128.1169.5-74.5-81.6000109.6V10 P28 S78 G79 L80 D115 Y117 F133V10-F12 HydrophobicContact CG1-CE2 4.49Å; F12-P28 HydrophobicContact CB-CB 3.85Å; F12-P28 HydrophobicContact CD1-CB 3.95Å; F12-P28 HydrophobicContact CD1-CG 4.41Å; F12-P28 HydrophobicContact CG-CB 4.24Å; F12-S78 WeakPolarHBondContact CD1-O 3.4Å; F12-G79 CarbonylContact C-O 3.54Å; F12-G79 VanDerWaalsContact CA-O 3.3Å; F12-G79 WeakPolarHBondContact CA-O 3.42Å; F12-L80 HydrophobicContact CD1-CB 4.38Å; F12-L80 HydrophobicContact CE1-CB 3.95Å; F12-L80 HydrophobicContact CE1-CD1 3.93Å; F12-L80 HydrophobicContact CE1-CG 4.5Å; F12-L80 HydrophobicContact CE2-CD1 4.34Å; F12-L80 HydrophobicContact CZ-CD1 3.82Å; F12-D115 PolarHBondContact N-O 3.3Å; F12-D115 PolarHBondContact O-N 3.1Å; F12-Y117 HydrophobicContact CB-CD2 4.32Å; F12-Y117 HydrophobicContact CB-CE2 4.02Å; F12-Y117 HydrophobicContact CD2-CD1 4.21Å; F12-Y117 AromaticContact CD2-CD2 3.49Å; F12-Y117 HydrophobicContact CD2-CD2 3.49Å; F12-Y117 VanDerWaalsContact CD2-CD2 3.49Å; F12-Y117 HydrophobicContact CD2-CE1 4.41Å; F12-Y117 AromaticContact CD2-CE2 3.7Å; F12-Y117 HydrophobicContact CD2-CE2 3.7Å; F12-Y117 AromaticContact CD2-CG 3.75Å; F12-Y117 HydrophobicContact CD2-CG 3.75Å; F12-Y117 HydrophobicContact CE2-CD1 4.33Å; F12-Y117 HydrophobicContact CE2-CD2 4.31Å; F12-Y117 HydrophobicContact CE2-CG 4.11Å; F12-Y117 HydrophobicContact CG-CD2 4.37Å; F12-Y117 HydrophobicContact CG-CE2 4.27Å; F12-F133 HydrophobicContact CD2-CZ 4.43Å; F12-F133 HydrophobicContact CE1-CE1 4.14Å; F12-F133 HydrophobicContact CE1-CZ 4.42Å; F12-F133 HydrophobicContact CE2-CD1 4.43Å; F12-F133 AromaticContact CE2-CE1 3.77Å; F12-F133 HydrophobicContact CE2-CE1 3.77Å; F12-F133 HydrophobicContact CE2-CE2 4Å; F12-F133 AromaticContact CE2-CZ 3.52Å; F12-F133 HydrophobicContact CE2-CZ 3.52Å; F12-F133 AromaticContact CZ-CD1 3.95Å; F12-F133 HydrophobicContact CZ-CD1 3.95Å; F12-F133 AromaticContact CZ-CE1 3.28Å; F12-F133 HydrophobicContact CZ-CE1 3.28Å; F12-F133 HydrophobicContact CZ-CE2 4.36Å; F12-F133 AromaticContact CZ-CZ 3.52Å; F12-F133 HydrophobicContact CZ-CZ 3.52Å
13I94.3Very high87.8Confident0 Ų053.8 Ų53.80%027%0.269CS..EExtended strand (participates in β ladder)trans-100.4125.4178-56.3-168.8000108.5I15 G29 L45 W74 G79 L81 L103 V113 I114I13-I15 HydrophobicContact CG2-CD1 4.09Å; I13-I15 HydrophobicContact CG2-CG1 3.66Å; I13-G29 PolarHBondContact O-N 3.29Å; I13-L45 HydrophobicContact CD1-CD2 3.67Å; I13-W74 HydrophobicContact CB-CH2 3.98Å; I13-W74 HydrophobicContact CB-CZ3 4.02Å; I13-W74 HydrophobicContact CD1-CH2 3.99Å; I13-W74 HydrophobicContact CD1-CZ3 3.7Å; I13-W74 HydrophobicContact CG1-CH2 4.27Å; I13-W74 HydrophobicContact CG1-CZ3 3.91Å; I13-W74 HydrophobicContact CG2-CH2 4.47Å; I13-G79 PolarHBondContact N-O 2.84Å; I13-L81 HydrophobicContact CD1-CB 4.27Å; I13-L81 HydrophobicContact CD1-CD2 3.61Å; I13-L81 HydrophobicContact CG1-CB 4.3Å; I13-L81 HydrophobicContact CG1-CD2 4.29Å; I13-L103 HydrophobicContact CG2-CD1 3.92Å; I13-V113 WeakPolarHBondContact CA-O 3.46Å; I13-I114 HydrophobicContact CD1-CD1 4.02Å; I13-I114 HydrophobicContact CD1-CG1 4.2Å; I13-I114 HydrophobicContact CG1-CD1 4.34Å; I13-I114 HydrophobicContact CG1-CG1 4Å; I13-I114 HydrophobicContact CG1-CG2 4.18Å; I13-I114 HydrophobicContact CG2-CG1 4.41Å
14S91.9Very high86.7Confident2 Ų251.3 Ų51.31%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-103.6125.1168.4-56.80000108.8Y27 S112 V113S14-Y27 PolarHBondContact OG-O 3.01Å; S14-S112 CarbonylContact O-C 3.3Å; S14-S112 WeakPolarHBondContact O-CA 3.5Å; S14-V113 PolarHBondContact N-O 3.49Å; S14-V113 PolarHBondContact O-N 3.25Å
15I90.9Very high85.5Confident8 Ų849 Ų494%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-116.4133.6-179-51.8-171.8000109.7I13 A37 L40 L103 L105 R110I13-I15 HydrophobicContact CG2-CD1 4.09Å; I13-I15 HydrophobicContact CG2-CG1 3.66Å; I15-A37 HydrophobicContact CD1-CB 4.33Å; I15-A37 HydrophobicContact CG2-CB 4.42Å; I15-L40 HydrophobicContact CD1-CD2 4.35Å; I15-L103 HydrophobicContact CD1-CD1 3.57Å; I15-L103 HydrophobicContact CG1-CD1 3.89Å; I15-L105 HydrophobicContact CG2-CD1 4.1Å; I15-R110 HydrophobicContact CG2-CB 4.21Å
16Q88.8Confident84Confident17 Ų1747.1 Ų47.18%0.07927%0.272CS..  trans-57.7133.1173.2172.6173.132.100111.2S20 F23 R110 K111Q16-S20 WeakPolarHBondContact CG-O 3.36Å; Q16-S20 PolarHBondContact NE2-O 3.09Å; Q16-F23 VanDerWaalsContact CA-CD2 3.44Å; Q16-F23 HydrophobicContact CB-CB 4Å; Q16-F23 HydrophobicContact CB-CD1 4.06Å; Q16-F23 HydrophobicContact CB-CD2 3.9Å; Q16-F23 HydrophobicContact CB-CE1 4.49Å; Q16-F23 HydrophobicContact CB-CE2 4.34Å; Q16-F23 HydrophobicContact CB-CG 3.72Å; Q16-F23 HydrophobicContact CG-CB 3.82Å; Q16-F23 HydrophobicContact CG-CD2 4.39Å; Q16-F23 HydrophobicContact CG-CG 4.11Å; Q16-R110 PolarHBondContact O-NH1 3.42Å; Q16-R110 PolarHBondContact O-NH2 2.79Å; Q16-K111 HydrophobicContact CB-CB 4.02Å; Q16-K111 WeakPolarHBondContact CB-O 3.36Å; Q16-K111 PolarHBondContact N-O 3.07Å; Q16-K111 VanDerWaalsContact OE1-CB 3.31Å; Q16-K111 VanDerWaalsContact OE1-N 3.08Å
17P85.8Confident83Confident16 Ų1651 Ų5110%0.10429%0.285CS..  trans-70.7156.8173.6-20.632.7000114.5N19 S20 Q31 R110P17-N19 VanDerWaalsContact C-N 3.34Å; P17-N19 PolarHBondContact O-N 3.22Å; P17-S20 PolarHBondContact O-N 3.13Å; P17-Q31 HydrophobicContact CG-CG 4.35Å; P17-R110 VanDerWaalsContact C-NH1 3.26Å; P17-R110 PolarHBondContact O-NH1 3.15Å; P17-R110 PolarHBondContact O-NH2 3.13Å
18Q82.1Confident82.3Confident94 Ų9449.3 Ų49.344%0.43928%0.282SS..THydrogen-bonded Turntrans-63.2-40.4-164.6-165.8176.6-4.800112.8R110Q18-R110 VanDerWaalsContact CA-NH1 3.3Å
19N79.8Confident81.8Confident150 Ų15049.2 Ų49.280%0.80228%0.283SS*.THydrogen-bonded Turntrans-103.810.7-173.1-57.9-28000112.7P17P17-N19 VanDerWaalsContact C-N 3.34Å; P17-N19 PolarHBondContact O-N 3.22Å
20S77.4Confident81.2Confident43 Ų4349.8 Ų49.830%0.30129%0.286SS..  trans-112.4104.1-175.1-58.20000111.3Q16 P17Q16-S20 WeakPolarHBondContact CG-O 3.36Å; Q16-S20 PolarHBondContact NE2-O 3.09Å; P17-S20 PolarHBondContact O-N 3.13Å
21N73.2Confident80.5Confident147 Ų14754.4 Ų54.479%0.78631%0.308SS*.SBendtrans-74.3-30.8173.7-74.5-14.2000112.5F23N21-F23 PolarHBondContact O-N 2.7Å; N21-F23 VanDerWaalsContact O-N 3.12Å
22S70.4Confident79.7Confident109 Ų10960.3 Ų60.376%0.76233%0.333SS*.  trans-82.281173.159.30000110.1
23F66.7Low79.2Confident39 Ų3966.3 Ų66.317%0.17136%0.362CS..  trans-93.2118.8171.9-179.4-118.9000110.4Q16 N21 P25 K111Q16-F23 VanDerWaalsContact CA-CD2 3.44Å; Q16-F23 HydrophobicContact CB-CB 4Å; Q16-F23 HydrophobicContact CB-CD1 4.06Å; Q16-F23 HydrophobicContact CB-CD2 3.9Å; Q16-F23 HydrophobicContact CB-CE1 4.49Å; Q16-F23 HydrophobicContact CB-CE2 4.34Å; Q16-F23 HydrophobicContact CB-CG 3.72Å; Q16-F23 HydrophobicContact CG-CB 3.82Å; Q16-F23 HydrophobicContact CG-CD2 4.39Å; Q16-F23 HydrophobicContact CG-CG 4.11Å; N21-F23 PolarHBondContact O-N 2.7Å; N21-F23 VanDerWaalsContact O-N 3.12Å; F23-P25 HydrophobicContact CE1-CB 3.75Å; F23-P25 HydrophobicContact CE1-CG 4.28Å; F23-P25 HydrophobicContact CZ-CB 3.96Å; F23-K111 HydrophobicContact CD1-CB 3.93Å; F23-K111 HydrophobicContact CE1-CB 4.42Å
24I65.1Low78.9Confident147 Ų14766.7 Ų66.775%0.75436%0.364SS*.  trans-105.3111.8163.3-55.6174.1000105.7G26I24-G26 PolarHBondContact O-N 3Å
25P60.2Low78.7Confident63 Ų6370.1 Ų70.141%0.40939%0.385SS..THydrogen-bonded Turntrans-60124.2171.124.2-30.2000108.1F23 V113F23-P25 HydrophobicContact CE1-CB 3.75Å; F23-P25 HydrophobicContact CE1-CG 4.28Å; F23-P25 HydrophobicContact CZ-CB 3.96Å; P25-V113 HydrophobicContact CB-CB 4.02Å; P25-V113 HydrophobicContact CB-CG2 3.6Å; P25-V113 HydrophobicContact CG-CG2 3.87Å
26G63.3Low78.6Confident63 Ų6370.5 Ų70.565%0.64939%0.389SS*.THydrogen-bonded Turntrans175.9-22-175.100000112.7I24I24-G26 PolarHBondContact O-N 3Å
27Y72.7Confident78.6Confident105 Ų10569.7 Ų69.741%0.41239%0.385SS..SBendtrans-106.3106.3171-154.5-82.7000110.1S14 A149 I152S14-Y27 PolarHBondContact OG-O 3.01Å; Y27-A149 HydrophobicContact CD1-CB 3.81Å; Y27-A149 HydrophobicContact CD2-CB 3.57Å; Y27-A149 HydrophobicContact CE1-CB 3.55Å; Y27-A149 HydrophobicContact CE2-CB 3.33Å; Y27-A149 HydrophobicContact CG-CB 3.83Å; Y27-A149 VanDerWaalsContact OH-CA 3.28Å; Y27-A149 WeakPolarHBondContact OH-CA 3.25Å; Y27-A149 PolarHBondContact OH-O 3.49Å; Y27-I152 HydrophobicContact CE2-CD1 3.95Å; Y27-I152 WeakPolarHBondContact OH-CB 3.44Å; Y27-I152 WeakPolarHBondContact OH-CG2 3.35Å
28P82.7Confident78.8Confident24 Ų2471.8 Ų71.816%0.15639%0.394CS..  trans-68.1146.6175.230.6-36.9000110.8F12 S78 A149F12-P28 HydrophobicContact CB-CB 3.85Å; F12-P28 HydrophobicContact CD1-CB 3.95Å; F12-P28 HydrophobicContact CD1-CG 4.41Å; F12-P28 HydrophobicContact CG-CB 4.24Å; P28-S78 CarbonylContact C-O 3.59Å; P28-A149 HydrophobicContact CG-CB 3.95Å
29G85.7Confident79.3Confident4 Ų475.4 Ų75.44%0.04140%0.404CS..BIsolated β-bridgetrans96.4-172.7-178.300000114.3I13 P76 G79I13-G29 PolarHBondContact O-N 3.29Å; G29-P76 CarbonylContact C-O 3.59Å; G29-P76 VanDerWaalsContact CA-O 3.27Å; G29-P76 WeakPolarHBondContact CA-O 3.43Å; G29-G79 VanDerWaalsContact CA-CA 3.45Å
30C85Confident79.9Confident12 Ų1269.1 Ų69.18%0.08137%0.37CS..  trans-117.1146.9-176-48.70000109.5A37 M38 P76C30-A37 HydrophobicContact CB-CB 3.7Å; C30-A37 VanDerWaalsContact SG-CB 3.57Å; C30-M38 HydrophobicContact CB-CG 4.32Å; C30-M38 HydrophobicContact CB-SD 4.05Å; C30-P76 PolarHBondContact N-O 3.33Å; C30-P76 PolarHBondContact SG-O 3.44Å
31Q82.5Confident80.7Confident96 Ų9668.8 Ų68.845%0.44937%0.368SS..  trans-66.7141.4168.7-74.8-172.50.300109.8P17 E33 D34P17-Q31 HydrophobicContact CG-CG 4.35Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.48Å; Q31-E33 PolarHBondContact O-N 2.94Å; Q31-D34 HydrophobicContact CB-CB 4.42Å; Q31-D34 WeakPolarHBondContact O-CB 3.36Å; Q31-D34 PolarHBondContact O-N 3.31Å
32K80.8Confident81.7Confident124 Ų12465.6 Ų65.654%0.53935%0.348SS..THydrogen-bonded Turntrans-64.4-26.6-177.9178.2176.9179.6179.90112.1D34 M158K32-D34 VanDerWaalsContact C-N 3.3Å; K32-M158 HydrophobicContact CB-CE 3.39Å; K32-M158 HydrophobicContact CB-SD 4.03Å; K32-M158 HydrophobicContact CD-CE 3.94Å; K32-M158 HydrophobicContact CD-CG 4.46Å; K32-M158 HydrophobicContact CG-CE 4.28Å
33E84.4Confident82.8Confident130 Ų13064.1 Ų64.161%0.60734%0.338SS*.THydrogen-bonded Turntrans-72.8-24.1176-51.978-166.900111.9Q31 T35Q31-E33 WeakPolarHBondContact CB-OE2 3.48Å; Q31-E33 PolarHBondContact O-N 2.94Å; E33-T35 PolarHBondContact O-N 3.12Å
34D87.1Confident84.1Confident7 Ų766 Ų664%0.03735%0.35CS..  trans-81.182.8177.8-167.3-24.6000110.6Q31 K32 A36 A37 M38 R110Q31-D34 HydrophobicContact CB-CB 4.42Å; Q31-D34 WeakPolarHBondContact O-CB 3.36Å; Q31-D34 PolarHBondContact O-N 3.31Å; K32-D34 VanDerWaalsContact C-N 3.3Å; D34-A36 PolarHBondContact O-N 3.27Å; D34-A36 PolarHBondContact OD1-N 2.85Å; D34-A37 HydrophobicContact CB-CB 4.07Å; D34-A37 VanDerWaalsContact CG-CB 3.48Å; D34-A37 PolarHBondContact O-N 3.35Å; D34-A37 PolarHBondContact OD1-N 3.49Å; D34-M38 WeakPolarHBondContact O-CB 3.41Å; D34-M38 VanDerWaalsContact O-CG 3.32Å; D34-M38 WeakPolarHBondContact O-CG 3.48Å; D34-M38 PolarHBondContact O-N 2.93Å; D34-R110 IonicContact OD2-CZ 3.11Å; D34-R110 IonicContact OD2-NH2 3.56Å; D34-R110 PolarHBondContact OD2-NH2 2.9Å
35T88.6Confident85.5Confident75 Ų7559 Ų5946%0.4631%0.314SS..Hα-helixtrans-66.2-18.5-178.673.20000113.6E33 R39E33-T35 PolarHBondContact O-N 3.12Å; T35-R39 WeakPolarHBondContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CG 3.49Å; T35-R39 PolarHBondContact O-N 2.8Å; T35-R39 PolarHBondContact O-NH1 2.79Å; T35-R39 VanDerWaalsContact O-NH1 3.12Å; T35-R39 PolarHBondContact OG1-NH1 3.06Å
36A88.4Confident87.2Confident16 Ų1658.4 Ų58.413%0.13231%0.307CS..Hα-helixtrans-76.8-46.5175.900000110D34 R39 L105D34-A36 PolarHBondContact O-N 3.27Å; D34-A36 PolarHBondContact OD1-N 2.85Å; A36-R39 PolarHBondContact O-N 3.34Å; A36-L105 HydrophobicContact CB-CB 4.18Å; A36-L105 HydrophobicContact CB-CD1 4.44Å
37A89.1Confident88.7Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-67.9-37.9177.500000112.2I15 C30 D34 R39 L40 L105I15-A37 HydrophobicContact CD1-CB 4.33Å; I15-A37 HydrophobicContact CG2-CB 4.42Å; C30-A37 HydrophobicContact CB-CB 3.7Å; C30-A37 VanDerWaalsContact SG-CB 3.57Å; D34-A37 HydrophobicContact CB-CB 4.07Å; D34-A37 VanDerWaalsContact CG-CB 3.48Å; D34-A37 PolarHBondContact O-N 3.35Å; D34-A37 PolarHBondContact OD1-N 3.49Å; A37-R39 PolarHBondContact O-N 3.31Å; A37-L40 VanDerWaalsContact O-CB 3.3Å; A37-L40 WeakPolarHBondContact O-CB 3.45Å; A37-L40 PolarHBondContact O-N 3.33Å; A37-L105 HydrophobicContact CB-CD1 3.7Å
38M90Very high89.7Confident60 Ų6053.9 Ų53.930%0.29628%0.283SS..Hα-helixtrans-68-20.6176.8-71.5-68.8-87.400114C30 D34 P76 A77C30-M38 HydrophobicContact CB-CG 4.32Å; C30-M38 HydrophobicContact CB-SD 4.05Å; D34-M38 WeakPolarHBondContact O-CB 3.41Å; D34-M38 VanDerWaalsContact O-CG 3.32Å; D34-M38 WeakPolarHBondContact O-CG 3.48Å; D34-M38 PolarHBondContact O-N 2.93Å; M38-P76 HydrophobicContact SD-CB 3.9Å; M38-P76 HydrophobicContact SD-CG 4.06Å; M38-A77 HydrophobicContact CE-CB 4.36Å
39R92.1Very high90.4Very high170 Ų17052.8 Ų52.864%0.64228%0.275SS*.THydrogen-bonded Turntrans-91.5-1.1176.7-75.7-175.7-170.1106.2-4.6113.9T35 A36 A37 S41T35-R39 WeakPolarHBondContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CG 3.49Å; T35-R39 PolarHBondContact O-N 2.8Å; T35-R39 PolarHBondContact O-NH1 2.79Å; T35-R39 VanDerWaalsContact O-NH1 3.12Å; T35-R39 PolarHBondContact OG1-NH1 3.06Å; A36-R39 PolarHBondContact O-N 3.34Å; A37-R39 PolarHBondContact O-N 3.31Å; R39-S41 PolarHBondContact O-N 3.35Å; R39-S41 VanDerWaalsContact O-N 3.12Å
40L92.8Very high90.9Very high17 Ų1757.3 Ų57.39%0.08929%0.294CS..  trans-58.3119.6-179.3-17366000109.8I15 A37 D44 L45 W74 L103 L105I15-L40 HydrophobicContact CD1-CD2 4.35Å; A37-L40 VanDerWaalsContact O-CB 3.3Å; A37-L40 WeakPolarHBondContact O-CB 3.45Å; A37-L40 PolarHBondContact O-N 3.33Å; L40-D44 HydrophobicContact CD1-CB 3.52Å; L40-D44 HydrophobicContact CG-CB 4.44Å; L40-L45 HydrophobicContact CD2-CD1 4.34Å; L40-L45 HydrophobicContact CD2-CD2 3.51Å; L40-L45 HydrophobicContact CD2-CG 3.83Å; L40-L45 HydrophobicContact CG-CD2 4.22Å; L40-L45 HydrophobicContact CG-CG 4Å; L40-W74 HydrophobicContact CB-CZ2 4.45Å; L40-W74 HydrophobicContact CD2-CZ2 3.86Å; L40-W74 PolarHBondContact O-NE1 2.88Å; L40-L103 HydrophobicContact CD2-CD1 4.37Å; L40-L105 HydrophobicContact CD1-CD2 3.92Å; L40-L105 HydrophobicContact CD2-CD2 4.44Å
41S93.3Very high91.4Very high37 Ų3762.5 Ų62.526%0.25932%0.317SS..  trans-90.5162.7-177.371.80000111.9R39 S43 D44 L45R39-S41 PolarHBondContact O-N 3.35Å; R39-S41 VanDerWaalsContact O-N 3.12Å; S41-S43 PolarHBondContact O-N 3.26Å; S41-S43 PolarHBondContact OG-OG 3.18Å; S41-D44 WeakPolarHBondContact CB-OD2 3.44Å; S41-D44 PolarHBondContact N-OD2 3.48Å; S41-D44 PolarHBondContact O-N 3.25Å; S41-D44 PolarHBondContact OG-N 3.01Å; S41-D44 VanDerWaalsContact OG-N 3.15Å; S41-D44 PolarHBondContact OG-OD1 2.9Å; S41-D44 PolarHBondContact OG-OD2 3.24Å; S41-L45 PolarHBondContact O-N 2.93Å
42E94.1Very high92Very high79 Ų7958.9 Ų58.937%0.36930%0.301SS..Hα-helixtrans-61.1-33.1173.6-64.1-177.3165.700112.1L46 V71 W74E42-L46 WeakPolarHBondContact O-CB 3.29Å; E42-L46 PolarHBondContact O-N 3.28Å; E42-V71 HydrophobicContact CB-CB 4.19Å; E42-V71 HydrophobicContact CB-CG1 3.92Å; E42-V71 HydrophobicContact CG-CG1 3.8Å; E42-W74 HydrophobicContact CG-CB 3.84Å
43S93.6Very high92.8Very high79 Ų7953 Ų5355%0.55228%0.275SS*.Hα-helixtrans-66.3-40.8173.9350000112.6S41 L45 L46 A47S41-S43 PolarHBondContact O-N 3.26Å; S41-S43 PolarHBondContact OG-OG 3.18Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-L46 PolarHBondContact O-N 3.45Å; S43-A47 WeakPolarHBondContact O-CB 3.29Å; S43-A47 PolarHBondContact O-N 2.93Å
44D93.8Very high93.5Very high77 Ų7750.3 Ų50.341%0.41226%0.264SS..Hα-helixtrans-65.2-42.9177.7-57.8-36.8000110.3L40 S41 A47 M48L40-D44 HydrophobicContact CD1-CB 3.52Å; L40-D44 HydrophobicContact CG-CB 4.44Å; S41-D44 WeakPolarHBondContact CB-OD2 3.44Å; S41-D44 PolarHBondContact N-OD2 3.48Å; S41-D44 PolarHBondContact O-N 3.25Å; S41-D44 PolarHBondContact OG-N 3.01Å; S41-D44 VanDerWaalsContact OG-N 3.15Å; S41-D44 PolarHBondContact OG-OD1 2.9Å; S41-D44 PolarHBondContact OG-OD2 3.24Å; D44-A47 PolarHBondContact O-N 3.32Å; D44-M48 WeakPolarHBondContact O-CB 3.17Å; D44-M48 PolarHBondContact O-N 3.5Å
45L95.1Very high93.9Very high0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-61.7-45.3174-74.8171.6000111.7I13 L40 S41 S43 A47 M48 I49 V71 W74 L81I13-L45 HydrophobicContact CD1-CD2 3.67Å; L40-L45 HydrophobicContact CD2-CD1 4.34Å; L40-L45 HydrophobicContact CD2-CD2 3.51Å; L40-L45 HydrophobicContact CD2-CG 3.83Å; L40-L45 HydrophobicContact CG-CD2 4.22Å; L40-L45 HydrophobicContact CG-CG 4Å; S41-L45 PolarHBondContact O-N 2.93Å; S43-L45 VanDerWaalsContact C-N 3.34Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.96Å; L45-M48 HydrophobicContact CD2-CE 3.97Å; L45-M48 PolarHBondContact O-N 3.23Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.22Å; L45-I49 WeakPolarHBondContact O-CG1 3.42Å; L45-I49 PolarHBondContact O-N 2.96Å; L45-V71 HydrophobicContact CB-CG2 4.36Å; L45-W74 HydrophobicContact CD1-CB 3.98Å; L45-W74 HydrophobicContact CD1-CD2 3.32Å; L45-W74 HydrophobicContact CD1-CE3 3.66Å; L45-W74 HydrophobicContact CD1-CG 3.46Å; L45-W74 VanDerWaalsContact CD1-CG 3.46Å; L45-W74 HydrophobicContact CD1-CZ2 4.3Å; L45-W74 HydrophobicContact CD1-CZ3 4.28Å; L45-L81 HydrophobicContact CD1-CD1 4.05Å
46L95.8Very high94.3Very high51 Ų5154.8 Ų54.827%0.26729%0.287SS..Hα-helixtrans-62.1-41.1177.6-174.764.9000111.8E42 S43 I49 K50 M66 L69 V71E42-L46 WeakPolarHBondContact O-CB 3.29Å; E42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 2.99Å; L46-K50 WeakPolarHBondContact O-CB 3.4Å; L46-K50 PolarHBondContact O-N 2.93Å; L46-M66 HydrophobicContact CD1-CE 4.38Å; L46-M66 HydrophobicContact CG-CE 4.49Å; L46-L69 HydrophobicContact CD1-CD2 3.79Å; L46-L69 HydrophobicContact CD1-CG 3.84Å; L46-V71 HydrophobicContact CB-CG2 4.31Å
47A95Very high94.7Very high56 Ų5656.7 Ų56.746%0.46329%0.293SS..Hα-helixtrans-64-43.4176.200000111.8S43 D44 L45 K50 Q51S43-A47 WeakPolarHBondContact O-CB 3.29Å; S43-A47 PolarHBondContact O-N 2.93Å; D44-A47 PolarHBondContact O-N 3.32Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 2.96Å; A47-K50 WeakPolarHBondContact O-CB 3.24Å; A47-K50 PolarHBondContact O-N 3.4Å; A47-Q51 PolarHBondContact O-N 2.61Å
48M94.9Very high95.1Very high17 Ų1758.2 Ų58.28%0.08431%0.308CS..Hα-helixtrans-62.1-45.5174.8176.2-77.8-62.400111.9D44 L45 K50 Q51 N52 V100 L103 I114D44-M48 WeakPolarHBondContact O-CB 3.17Å; D44-M48 PolarHBondContact O-N 3.5Å; L45-M48 HydrophobicContact CD2-CE 3.97Å; L45-M48 PolarHBondContact O-N 3.23Å; M48-K50 VanDerWaalsContact C-N 3.31Å; M48-K50 PolarHBondContact O-N 2.86Å; M48-Q51 PolarHBondContact O-N 3.26Å; M48-N52 PolarHBondContact O-N 3.19Å; M48-N52 PolarHBondContact O-ND2 2.95Å; M48-N52 PolarHBondContact SD-ND2 3.22Å; M48-V100 HydrophobicContact SD-CG1 4.21Å; M48-V100 HydrophobicContact SD-CG2 3.93Å; M48-L103 HydrophobicContact CE-CD2 3.73Å; M48-L103 HydrophobicContact CG-CD2 3.47Å; M48-L103 VanDerWaalsContact CG-CD2 3.47Å; M48-L103 HydrophobicContact SD-CD2 3.83Å; M48-I114 HydrophobicContact CE-CD1 3.58Å; M48-I114 HydrophobicContact SD-CD1 4.31Å
49I96.2Very high95.3Very high1 Ų160.2 Ų60.21%0.00533%0.328CS..Hα-helixtrans-61.4-44.8177.4-65.8165.7000109.8L45 L46 Q51 N52 I53 L69 V71 L81 I83 L97L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.22Å; L45-I49 WeakPolarHBondContact O-CG1 3.42Å; L45-I49 PolarHBondContact O-N 2.96Å; L46-I49 PolarHBondContact O-N 2.99Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.69Å; I49-N52 PolarHBondContact O-N 2.97Å; I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.31Å; I49-I53 VanDerWaalsContact O-CG1 3.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.29Å; I49-L69 HydrophobicContact CG2-CD2 3.77Å; I49-V71 HydrophobicContact CD1-CG2 4.33Å; I49-L81 HydrophobicContact CD1-CD2 4.44Å; I49-I83 HydrophobicContact CD1-CD1 3.66Å; I49-I83 HydrophobicContact CD1-CG1 4.23Å; I49-L97 HydrophobicContact CD1-CD2 4.18Å; I49-L97 HydrophobicContact CG1-CD2 3.72Å; I49-L97 HydrophobicContact CG2-CD2 4.34Å
50K96.2Very high95.5Very high99 Ų9957.8 Ų57.843%0.4333%0.328SS..Hα-helixtrans-56.6-47.3175.7-178.4-171.5175.6-1760111.2L46 A47 M48 I53 I54 V62 M66L46-K50 WeakPolarHBondContact O-CB 3.4Å; L46-K50 PolarHBondContact O-N 2.93Å; A47-K50 WeakPolarHBondContact O-CB 3.24Å; A47-K50 PolarHBondContact O-N 3.4Å; M48-K50 VanDerWaalsContact C-N 3.31Å; M48-K50 PolarHBondContact O-N 2.86Å; K50-I53 PolarHBondContact O-N 2.99Å; K50-I54 HydrophobicContact CG-CD1 4.23Å; K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.32Å; K50-I54 PolarHBondContact O-N 3.24Å; K50-V62 HydrophobicContact CG-CG2 3.58Å; K50-M66 HydrophobicContact CB-CE 4.48Å; K50-M66 HydrophobicContact CB-SD 3.95Å; K50-M66 HydrophobicContact CD-CE 4.33Å; K50-M66 HydrophobicContact CD-SD 4.44Å; K50-M66 HydrophobicContact CG-CE 4.43Å; K50-M66 HydrophobicContact CG-CG 4.44Å; K50-M66 HydrophobicContact CG-SD 3.92Å
51Q95.6Very high95.5Very high121 Ų12157.4 Ų57.457%0.56533%0.327SS*.Hα-helixtrans-61.4-44.3178.3-175.2176.90.800111.7A47 M48 I49 I53 I54 L55A47-Q51 PolarHBondContact O-N 2.61Å; M48-Q51 PolarHBondContact O-N 3.26Å; I49-Q51 VanDerWaalsContact C-N 3.33Å; I49-Q51 PolarHBondContact O-N 2.69Å; Q51-I53 PolarHBondContact O-N 3.01Å; Q51-I54 WeakPolarHBondContact O-CB 3.19Å; Q51-I54 PolarHBondContact O-N 3Å; Q51-I54 VanDerWaalsContact O-N 3.15Å; Q51-L55 HydrophobicContact CG-CD1 4.44Å; Q51-L55 WeakPolarHBondContact O-CG 3.49Å; Q51-L55 PolarHBondContact O-N 2.91Å
52N96.2Very high95.7Very high21 Ų2156.4 Ų56.411%0.11232%0.32CS..Hα-helixtrans-68.3-33.8178.9-77.2-76000112.9M48 I49 I54 L55 T56 V100M48-N52 PolarHBondContact O-N 3.19Å; M48-N52 PolarHBondContact O-ND2 2.95Å; M48-N52 PolarHBondContact SD-ND2 3.22Å; I49-N52 PolarHBondContact O-N 2.97Å; N52-I54 VanDerWaalsContact C-N 3.34Å; N52-L55 PolarHBondContact O-N 2.91Å; N52-T56 WeakPolarHBondContact O-CB 3.42Å; N52-T56 PolarHBondContact O-N 2.83Å; N52-T56 PolarHBondContact O-OG1 2.84Å; N52-V100 HydrophobicContact CB-CG2 4.07Å
53I97.3Very high95.8Very high0 Ų055.1 Ų55.10%033%0.328CS..Hα-helixtrans-64.7-40.1171.1-65.8164.3000110.6I49 K50 Q51 L55 T56 H57 V62 C65 L69 I93 A96I49-I53 HydrophobicContact CG2-CD1 3.7Å; I49-I53 HydrophobicContact CG2-CG1 4.31Å; I49-I53 VanDerWaalsContact O-CG1 3.24Å; I49-I53 WeakPolarHBondContact O-CG1 3.49Å; I49-I53 PolarHBondContact O-N 3.29Å; K50-I53 PolarHBondContact O-N 2.99Å; Q51-I53 PolarHBondContact O-N 3.01Å; I53-L55 VanDerWaalsContact C-N 3.35Å; I53-T56 PolarHBondContact O-N 2.81Å; I53-H57 HydrophobicContact CG2-CB 4.49Å; I53-H57 WeakPolarHBondContact O-CA 3.27Å; I53-H57 WeakPolarHBondContact O-CB 3.48Å; I53-H57 PolarHBondContact O-N 3.47Å; I53-V62 HydrophobicContact CG2-CB 3.94Å; I53-V62 HydrophobicContact CG2-CG2 4.32Å; I53-C65 HydrophobicContact CD1-CB 3.93Å; I53-C65 HydrophobicContact CG2-CB 4.24Å; I53-L69 HydrophobicContact CD1-CD2 4.11Å; I53-I93 HydrophobicContact CD1-CG1 4.11Å; I53-A96 HydrophobicContact CB-CB 4.39Å; I53-A96 HydrophobicContact CG1-CB 3.63Å
54I97.3Very high95.8Very high73 Ų7356.2 Ų56.237%0.37432%0.323SS..Hα-helixtrans-61.7-44.6174.9-68.3163.5000110.5K50 Q51 N52 T56 G58 V62K50-I54 HydrophobicContact CG-CD1 4.23Å; K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.32Å; K50-I54 PolarHBondContact O-N 3.24Å; Q51-I54 WeakPolarHBondContact O-CB 3.19Å; Q51-I54 PolarHBondContact O-N 3Å; Q51-I54 VanDerWaalsContact O-N 3.15Å; N52-I54 VanDerWaalsContact C-N 3.34Å; I54-T56 VanDerWaalsContact C-N 3.33Å; I54-T56 PolarHBondContact O-N 3.26Å; I54-G58 WeakPolarHBondContact O-CA 3.43Å; I54-G58 PolarHBondContact O-N 3.38Å; I54-V62 HydrophobicContact CD1-CG1 4.27Å; I54-V62 HydrophobicContact CD1-CG2 4.29Å; I54-V62 HydrophobicContact CG1-CB 3.68Å; I54-V62 HydrophobicContact CG1-CG1 3.62Å; I54-V62 HydrophobicContact CG1-CG2 3.86Å
55L96.6Very high95.8Very high127 Ų12752.6 Ų52.667%0.66530%0.303SS*.Hα-helixtrans-64.4-37179-68.6173.5000112.5Q51 N52 I53Q51-L55 HydrophobicContact CG-CD1 4.44Å; Q51-L55 WeakPolarHBondContact O-CG 3.49Å; Q51-L55 PolarHBondContact O-N 2.91Å; N52-L55 PolarHBondContact O-N 2.91Å; I53-L55 VanDerWaalsContact C-N 3.35Å
56T97Very high95.8Very high49 Ų4955.3 Ų55.330%0.30132%0.317SS..Hα-helixtrans-86.7-40.6-174.9-49.50000112.8N52 I53 I54 L99N52-T56 WeakPolarHBondContact O-CB 3.42Å; N52-T56 PolarHBondContact O-N 2.83Å; N52-T56 PolarHBondContact O-OG1 2.84Å; I53-T56 PolarHBondContact O-N 2.81Å; I54-T56 VanDerWaalsContact C-N 3.33Å; I54-T56 PolarHBondContact O-N 3.26Å; T56-L99 HydrophobicContact CG2-CD1 3.68Å
57H97Very high95.6Very high56 Ų5657.2 Ų57.226%0.25933%0.334SS..Hα-helixtrans-126.34.5-167.3-58.8-66.2000113.7I53 G61 Y92 T95I53-H57 HydrophobicContact CG2-CB 4.49Å; I53-H57 WeakPolarHBondContact O-CA 3.27Å; I53-H57 WeakPolarHBondContact O-CB 3.48Å; I53-H57 PolarHBondContact O-N 3.47Å; H57-G61 PolarHBondContact O-N 2.85Å; H57-Y92 AromaticContact CE1-CD1 3.61Å; H57-Y92 AromaticContact CG-CD1 3.8Å; H57-Y92 AromaticContact ND1-CD1 3.52Å; H57-Y92 AromaticContact NE2-CD1 3.89Å; H57-Y92 PolarHBondContact NE2-O 2.84Å; H57-T95 PolarHBondContact CE1-OG1 2.83Å; H57-T95 PolarHBondContact NE2-OG1 3.26Å
58G96.9Very high95.4Very high32 Ų3258.8 Ų58.833%0.3333%0.328SS..Hα-helixtrans69.8-173.3179.100000114.8I54 L60 G61 V62I54-G58 WeakPolarHBondContact O-CA 3.43Å; I54-G58 PolarHBondContact O-N 3.38Å; G58-L60 VanDerWaalsContact C-N 3.32Å; G58-L60 PolarHBondContact O-N 3.34Å; G58-G61 PolarHBondContact O-N 3.36Å; G58-V62 PolarHBondContact O-N 3.48Å; G58-V62 VanDerWaalsContact O-N 3.14Å
59S95.5Very high95.5Very high102 Ų10258.7 Ų58.771%0.71333%0.328SS*.Hα-helixtrans-63.4-35.3-179.156.30000113.1V62 G63S59-V62 WeakPolarHBondContact O-CG1 3.5Å; S59-G63 PolarHBondContact O-N 3.21Å; S59-G63 VanDerWaalsContact O-N 3.14Å
60L95Very high95.4Very high120 Ų12063.3 Ų63.363%0.62835%0.345SS*.Hα-helixtrans-67.4-42176-178.462.5000111.6G58 G63 K64G58-L60 VanDerWaalsContact C-N 3.32Å; G58-L60 PolarHBondContact O-N 3.34Å; L60-G63 PolarHBondContact O-N 3.42Å; L60-K64 WeakPolarHBondContact O-CG 3.11Å; L60-K64 PolarHBondContact O-N 3.5Å
61G94.1Very high95.4Very high8 Ų858.9 Ų58.98%0.08233%0.327CS..Hα-helixtrans-62.2-45.4178.400000112.2H57 G58 G63 K64 C65H57-G61 PolarHBondContact O-N 2.85Å; G58-G61 PolarHBondContact O-N 3.36Å; G61-G63 PolarHBondContact O-N 2.85Å; G61-K64 PolarHBondContact O-N 2.85Å; G61-C65 PolarHBondContact O-N 3.48Å; G61-C65 PolarHBondContact O-SG 3.18Å
62V96.4Very high95.4Very high16 Ų1653.4 Ų53.410%0.09730%0.301CS..Hα-helixtrans-64.8-40.5177.874.40000111.9K50 I53 I54 G58 S59 K64 C65 M66K50-V62 HydrophobicContact CG-CG2 3.58Å; I53-V62 HydrophobicContact CG2-CB 3.94Å; I53-V62 HydrophobicContact CG2-CG2 4.32Å; I54-V62 HydrophobicContact CD1-CG1 4.27Å; I54-V62 HydrophobicContact CD1-CG2 4.29Å; I54-V62 HydrophobicContact CG1-CB 3.68Å; I54-V62 HydrophobicContact CG1-CG1 3.62Å; I54-V62 HydrophobicContact CG1-CG2 3.86Å; G58-V62 PolarHBondContact O-N 3.48Å; G58-V62 VanDerWaalsContact O-N 3.14Å; S59-V62 WeakPolarHBondContact O-CG1 3.5Å; V62-K64 VanDerWaalsContact C-N 3.28Å; V62-K64 PolarHBondContact O-N 3.28Å; V62-C65 PolarHBondContact O-N 3.28Å; V62-M66 HydrophobicContact CG2-CG 3.52Å; V62-M66 HydrophobicContact CG2-SD 4.24Å; V62-M66 WeakPolarHBondContact O-CB 3.28Å; V62-M66 WeakPolarHBondContact O-CG 3.24Å; V62-M66 PolarHBondContact O-N 2.94Å
63G95.5Very high95.4Very high53 Ų5354.6 Ų54.655%0.54631%0.306SS..Hα-helixtrans-58.1-40.517700000112.6S59 L60 G61S59-G63 PolarHBondContact O-N 3.21Å; S59-G63 VanDerWaalsContact O-N 3.14Å; L60-G63 PolarHBondContact O-N 3.42Å; G61-G63 PolarHBondContact O-N 2.85Å
64K93.6Very high95.2Very high102 Ų10255.7 Ų55.744%0.44331%0.31SS..Hα-helixtrans-70.4-43176.1-67.4175.8180176.10112.6L60 G61 V62 M89L60-K64 WeakPolarHBondContact O-CG 3.11Å; L60-K64 PolarHBondContact O-N 3.5Å; G61-K64 PolarHBondContact O-N 2.85Å; V62-K64 VanDerWaalsContact C-N 3.28Å; V62-K64 PolarHBondContact O-N 3.28Å; K64-M89 HydrophobicContact CB-CE 4.04Å; K64-M89 HydrophobicContact CB-SD 3.69Å; K64-M89 HydrophobicContact CD-CE 4.45Å
65C95.6Very high95Very high0 Ų053.4 Ų53.40%030%0.3CS..Hα-helixtrans-73.1-37.4-175.2-65.20000112.9I53 G61 V62 S67 L69 I93I53-C65 HydrophobicContact CD1-CB 3.93Å; I53-C65 HydrophobicContact CG2-CB 4.24Å; G61-C65 PolarHBondContact O-N 3.48Å; G61-C65 PolarHBondContact O-SG 3.18Å; V62-C65 PolarHBondContact O-N 3.28Å; C65-S67 VanDerWaalsContact C-N 3.28Å; C65-S67 PolarHBondContact O-N 3.17Å; C65-L69 WeakPolarHBondContact O-CB 3.3Å; C65-I93 HydrophobicContact CB-CD1 4.43Å; C65-I93 HydrophobicContact CB-CG1 4.18Å
66M94.9Very high94.8Very high58 Ų5848.6 Ų48.629%0.28628%0.277SS..Hα-helixtrans-70-18.6-172.4-70.6-57.8-6100114.5L46 K50 V62 R68 L69L46-M66 HydrophobicContact CD1-CE 4.38Å; L46-M66 HydrophobicContact CG-CE 4.49Å; K50-M66 HydrophobicContact CB-CE 4.48Å; K50-M66 HydrophobicContact CB-SD 3.95Å; K50-M66 HydrophobicContact CD-CE 4.33Å; K50-M66 HydrophobicContact CD-SD 4.44Å; K50-M66 HydrophobicContact CG-CE 4.43Å; K50-M66 HydrophobicContact CG-CG 4.44Å; K50-M66 HydrophobicContact CG-SD 3.92Å; V62-M66 HydrophobicContact CG2-CG 3.52Å; V62-M66 HydrophobicContact CG2-SD 4.24Å; V62-M66 WeakPolarHBondContact O-CB 3.28Å; V62-M66 WeakPolarHBondContact O-CG 3.24Å; V62-M66 PolarHBondContact O-N 2.94Å; M66-R68 PolarHBondContact O-N 3.09Å; M66-R68 VanDerWaalsContact O-N 3.08Å; M66-L69 PolarHBondContact O-N 3.44Å; M66-L69 HydrophobicContact SD-CB 4.49Å; M66-L69 HydrophobicContact SD-CD2 3.73Å
67S90.1Very high94.5Very high91 Ų9146.6 Ų46.664%0.63627%0.265SS*.THydrogen-bonded Turntrans-52.2-36.5-174.5171.80000114.6C65C65-S67 VanDerWaalsContact C-N 3.28Å; C65-S67 PolarHBondContact O-N 3.17Å
68R92.2Very high94.2Very high89 Ų8944.1 Ų44.134%0.33625%0.254SS..THydrogen-bonded Turntrans-141.425.5175.9-50.7-170.877.9-17614113N6 M66 L86N6-R68 PolarHBondContact ND2-NH1 3.24Å; N6-R68 VanDerWaalsContact ND2-NH1 3.12Å; N6-R68 PolarHBondContact OD1-NH1 3.11Å; M66-R68 PolarHBondContact O-N 3.09Å; M66-R68 VanDerWaalsContact O-N 3.08Å; R68-L86 HydrophobicContact CB-CD2 4.41Å; R68-L86 HydrophobicContact CB-CG 4.08Å; R68-L86 VanDerWaalsContact CD-CD2 3.48Å; R68-L86 HydrophobicContact CG-CD1 4.39Å; R68-L86 HydrophobicContact CG-CD2 4.04Å; R68-L86 HydrophobicContact CG-CG 4.04Å
69L96.2Very high94.1Very high14 Ų1442.6 Ų42.67%0.07324%0.238CC..  trans-74.6125.1174.9-177.567.7000108.7L46 I49 I53 C65 M66 I83 R84 C85 I93L46-L69 HydrophobicContact CD1-CD2 3.79Å; L46-L69 HydrophobicContact CD1-CG 3.84Å; I49-L69 HydrophobicContact CG2-CD2 3.77Å; I53-L69 HydrophobicContact CD1-CD2 4.11Å; C65-L69 WeakPolarHBondContact O-CB 3.3Å; M66-L69 PolarHBondContact O-N 3.44Å; M66-L69 HydrophobicContact SD-CB 4.49Å; M66-L69 HydrophobicContact SD-CD2 3.73Å; L69-I83 HydrophobicContact CD1-CG2 3.34Å; L69-R84 CarbonylContact C-O 3.44Å; L69-R84 WeakPolarHBondContact CA-O 3.46Å; L69-C85 HydrophobicContact CD1-CB 4.09Å; L69-I93 HydrophobicContact CD1-CD1 3.72Å; L69-I93 HydrophobicContact CD1-CG1 4.33Å; L69-I93 HydrophobicContact CD1-CG2 4.4Å
70R95.3Very high94Very high99 Ų9937.8 Ų37.837%0.37420%0.204SC..EExtended strand (participates in β ladder)trans-143.8139.3175.7-166.6179.6-171.9174.115.2110.1I72 I83 R84 E169 S170R70-I72 HydrophobicContact CB-CD1 4.23Å; R70-I72 HydrophobicContact CG-CD1 4.16Å; R70-I83 CarbonylContact O-C 3.53Å; R70-I83 WeakPolarHBondContact O-CA 3.41Å; R70-R84 PolarHBondContact N-O 3.34Å; R70-R84 PolarHBondContact O-N 3.21Å; R70-E169 PolarHBondContact NH1-O 2.78Å; R70-E169 PolarHBondContact NH2-O 3.03Å; R70-S170 VanDerWaalsContact NE-C 3.32Å; R70-S170 PolarHBondContact NE-O 3.2Å; R70-S170 PolarHBondContact NE-OXT 3.12Å; R70-S170 PolarHBondContact NH1-O 2.98Å; R70-S170 PolarHBondContact NH2-O 3.44Å; R70-S170 PolarHBondContact NH2-OXT 3.44Å
71V96.3Very high94.1Very high6 Ų632 Ų324%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-80.3118.2162.8175.70000106.8E42 L45 L46 I49 W74 L81E42-V71 HydrophobicContact CB-CB 4.19Å; E42-V71 HydrophobicContact CB-CG1 3.92Å; E42-V71 HydrophobicContact CG-CG1 3.8Å; L45-V71 HydrophobicContact CB-CG2 4.36Å; L46-V71 HydrophobicContact CB-CG2 4.31Å; I49-V71 HydrophobicContact CD1-CG2 4.33Å; V71-W74 HydrophobicContact CG1-CB 4.35Å; V71-L81 HydrophobicContact CB-CD1 4.45Å; V71-L81 HydrophobicContact CG1-CD1 3.53Å; V71-L81 HydrophobicContact CG2-CD1 4.21Å
72I94.9Very high94.2Very high6 Ų631.7 Ų31.73%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-92.2-32.6-177.4-58.6-63.9000111.2Y8 R70 I82 R84 I166Y8-I72 HydrophobicContact CE1-CG1 4.38Å; R70-I72 HydrophobicContact CB-CD1 4.23Å; R70-I72 HydrophobicContact CG-CD1 4.16Å; I72-I82 HydrophobicContact CB-CB 4.47Å; I72-I82 HydrophobicContact CB-CG2 4.28Å; I72-I82 PolarHBondContact N-O 3.42Å; I72-R84 HydrophobicContact CD1-CB 3.67Å; I72-R84 HydrophobicContact CG1-CB 3.54Å; I72-I166 HydrophobicContact CG2-CG2 3.52Å
73H94.9Very high94.3Very high46 Ų4630.9 Ų30.921%0.21317%0.166CC..EExtended strand (participates in β ladder)trans-154.4135.2-179.8-177.266.3000109.4L81 I82 P164H73-L81 WeakPolarHBondContact O-CA 3.4Å; H73-I82 HydrophobicContact CB-CB 4.1Å; H73-I82 HydrophobicContact CB-CD1 4.03Å; H73-I82 HydrophobicContact CB-CG1 4.15Å; H73-I82 PolarHBondContact N-O 3.12Å; H73-I82 PolarHBondContact O-N 3.32Å; H73-P164 WeakPolarHBondContact NE2-CB 3.36Å
74W94.9Very high94.3Very high23 Ų2330.1 Ų30.19%0.08715%0.147CC..EExtended strand (participates in β ladder)trans-130.7132.5168.4169.7-124000110.2I13 L40 E42 L45 V71 P76 L80 L81I13-W74 HydrophobicContact CB-CH2 3.98Å; I13-W74 HydrophobicContact CB-CZ3 4.02Å; I13-W74 HydrophobicContact CD1-CH2 3.99Å; I13-W74 HydrophobicContact CD1-CZ3 3.7Å; I13-W74 HydrophobicContact CG1-CH2 4.27Å; I13-W74 HydrophobicContact CG1-CZ3 3.91Å; I13-W74 HydrophobicContact CG2-CH2 4.47Å; L40-W74 HydrophobicContact CB-CZ2 4.45Å; L40-W74 HydrophobicContact CD2-CZ2 3.86Å; L40-W74 PolarHBondContact O-NE1 2.88Å; E42-W74 HydrophobicContact CG-CB 3.84Å; L45-W74 HydrophobicContact CD1-CB 3.98Å; L45-W74 HydrophobicContact CD1-CD2 3.32Å; L45-W74 HydrophobicContact CD1-CE3 3.66Å; L45-W74 HydrophobicContact CD1-CG 3.46Å; L45-W74 VanDerWaalsContact CD1-CG 3.46Å; L45-W74 HydrophobicContact CD1-CZ2 4.3Å; L45-W74 HydrophobicContact CD1-CZ3 4.28Å; V71-W74 HydrophobicContact CG1-CB 4.35Å; W74-P76 HydrophobicContact CZ2-CB 3.84Å; W74-L80 WeakPolarHBondContact CA-O 3.42Å; W74-L81 HydrophobicContact CE3-CB 3.89Å; W74-L81 HydrophobicContact CE3-CD1 4.32Å; W74-L81 HydrophobicContact CZ3-CB 4.11Å
75C93.3Very high94.4Very high25 Ų2525.3 Ų25.317%0.16913%0.125CC..EExtended strand (participates in β ladder)trans-128.3107.5170.7-176.90000109.3A77 S78 G79 L80C75-A77 VanDerWaalsContact C-N 3.3Å; C75-A77 PolarHBondContact O-N 2.88Å; C75-S78 WeakPolarHBondContact CB-OG 3.42Å; C75-S78 PolarHBondContact O-N 3.29Å; C75-S78 PolarHBondContact SG-OG 3.23Å; C75-S78 VanDerWaalsContact SG-OG 3.38Å; C75-G79 CarbonylContact O-C 3.59Å; C75-G79 VanDerWaalsContact O-CA 3.28Å; C75-G79 WeakPolarHBondContact O-CA 3.28Å; C75-G79 PolarHBondContact O-N 3.43Å; C75-L80 HydrophobicContact CB-CB 4.38Å; C75-L80 PolarHBondContact N-O 3.11Å; C75-L80 PolarHBondContact O-N 3.32Å
76P92.3Very high94.5Very high26 Ų2626.5 Ų26.517%0.16913%0.132CC..THydrogen-bonded Turntrans-66.7-31.4-176.724.8-33.3000112.9G29 C30 M38 W74 G79G29-P76 CarbonylContact C-O 3.59Å; G29-P76 VanDerWaalsContact CA-O 3.27Å; G29-P76 WeakPolarHBondContact CA-O 3.43Å; C30-P76 PolarHBondContact N-O 3.33Å; C30-P76 PolarHBondContact SG-O 3.44Å; M38-P76 HydrophobicContact SD-CB 3.9Å; M38-P76 HydrophobicContact SD-CG 4.06Å; W74-P76 HydrophobicContact CZ2-CB 3.84Å; P76-G79 PolarHBondContact O-N 2.83Å
77A90.2Very high94.5Very high6 Ų629.9 Ų29.95%0.0514%0.141CC..THydrogen-bonded Turntrans-69.7-38.3-178.600000113.4M38 C75 M158 I159M38-A77 HydrophobicContact CE-CB 4.36Å; C75-A77 VanDerWaalsContact C-N 3.3Å; C75-A77 PolarHBondContact O-N 2.88Å; A77-M158 HydrophobicContact CB-CB 3.88Å; A77-I159 HydrophobicContact CB-CG2 3.47Å; A77-I159 VanDerWaalsContact CB-CG2 3.47Å
78S90.9Very high94.8Very high5 Ų529.3 Ų29.34%0.03514%0.138CC..THydrogen-bonded Turntrans-92.4-14.2173.962.10000113.3F12 P28 C75 L80F12-S78 WeakPolarHBondContact CD1-O 3.4Å; P28-S78 CarbonylContact C-O 3.59Å; C75-S78 WeakPolarHBondContact CB-OG 3.42Å; C75-S78 PolarHBondContact O-N 3.29Å; C75-S78 PolarHBondContact SG-OG 3.23Å; C75-S78 VanDerWaalsContact SG-OG 3.38Å; S78-L80 PolarHBondContact O-N 3.49Å; S78-L80 VanDerWaalsContact OG-CB 3.24Å; S78-L80 WeakPolarHBondContact OG-CB 3.37Å; S78-L80 PolarHBondContact OG-N 2.76Å
79G93.2Very high94.9Very high0 Ų026.5 Ų26.50%013%0.129CC..THydrogen-bonded Turntrans70.410.4-170.200000113.3F12 I13 G29 C75 P76 L81F12-G79 CarbonylContact C-O 3.54Å; F12-G79 VanDerWaalsContact CA-O 3.3Å; F12-G79 WeakPolarHBondContact CA-O 3.42Å; I13-G79 PolarHBondContact N-O 2.84Å; G29-G79 VanDerWaalsContact CA-CA 3.45Å; C75-G79 CarbonylContact O-C 3.59Å; C75-G79 VanDerWaalsContact O-CA 3.28Å; C75-G79 WeakPolarHBondContact O-CA 3.28Å; C75-G79 PolarHBondContact O-N 3.43Å; P76-G79 PolarHBondContact O-N 2.83Å; G79-L81 PolarHBondContact O-N 3.24Å
80L95.2Very high95Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-71.4119.5-177.5177.762.6000110.2V10 F12 W74 C75 S78 I82 L130 Y134 P164V10-L80 HydrophobicContact CG1-CD1 3.7Å; F12-L80 HydrophobicContact CD1-CB 4.38Å; F12-L80 HydrophobicContact CE1-CB 3.95Å; F12-L80 HydrophobicContact CE1-CD1 3.93Å; F12-L80 HydrophobicContact CE1-CG 4.5Å; F12-L80 HydrophobicContact CE2-CD1 4.34Å; F12-L80 HydrophobicContact CZ-CD1 3.82Å; W74-L80 WeakPolarHBondContact CA-O 3.42Å; C75-L80 HydrophobicContact CB-CB 4.38Å; C75-L80 PolarHBondContact N-O 3.11Å; C75-L80 PolarHBondContact O-N 3.32Å; S78-L80 PolarHBondContact O-N 3.49Å; S78-L80 VanDerWaalsContact OG-CB 3.24Å; S78-L80 WeakPolarHBondContact OG-CB 3.37Å; S78-L80 PolarHBondContact OG-N 2.76Å; L80-I82 HydrophobicContact CD1-CG1 4.28Å; L80-I82 HydrophobicContact CG-CG1 4.34Å; L80-L130 HydrophobicContact CD1-CD2 4.03Å; L80-L130 HydrophobicContact CD2-CD2 4.08Å; L80-Y134 HydrophobicContact CD2-CE2 4.36Å; L80-P164 HydrophobicContact CD2-CG 3.61Å
81L96.3Very high95Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-121.3125.7175.4175.257.6000109.7C11 I13 L45 I49 V71 H73 W74 G79 I83C11-L81 HydrophobicContact CB-CB 4.29Å; C11-L81 PolarHBondContact N-O 3.32Å; C11-L81 PolarHBondContact O-N 3.22Å; I13-L81 HydrophobicContact CD1-CB 4.27Å; I13-L81 HydrophobicContact CD1-CD2 3.61Å; I13-L81 HydrophobicContact CG1-CB 4.3Å; I13-L81 HydrophobicContact CG1-CD2 4.29Å; L45-L81 HydrophobicContact CD1-CD1 4.05Å; I49-L81 HydrophobicContact CD1-CD2 4.44Å; V71-L81 HydrophobicContact CB-CD1 4.45Å; V71-L81 HydrophobicContact CG1-CD1 3.53Å; V71-L81 HydrophobicContact CG2-CD1 4.21Å; H73-L81 WeakPolarHBondContact O-CA 3.4Å; W74-L81 HydrophobicContact CE3-CB 3.89Å; W74-L81 HydrophobicContact CE3-CD1 4.32Å; W74-L81 HydrophobicContact CZ3-CB 4.11Å; G79-L81 PolarHBondContact O-N 3.24Å; L81-I83 HydrophobicContact CD1-CG1 4.18Å; L81-I83 HydrophobicContact CD2-CD1 3.87Å; L81-I83 HydrophobicContact CD2-CG1 4.15Å; L81-I83 HydrophobicContact CG-CD1 4.12Å; L81-I83 HydrophobicContact CG-CG1 3.91Å
82I97Very high95Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-114.9120.4175.5-52.9-179.8000109.1Y8 L9 I72 H73 L80 L130 I166Y8-I82 HydrophobicContact CD1-CG2 4.47Å; L9-I82 WeakPolarHBondContact O-CA 3.49Å; I72-I82 HydrophobicContact CB-CB 4.47Å; I72-I82 HydrophobicContact CB-CG2 4.28Å; I72-I82 PolarHBondContact N-O 3.42Å; H73-I82 HydrophobicContact CB-CB 4.1Å; H73-I82 HydrophobicContact CB-CD1 4.03Å; H73-I82 HydrophobicContact CB-CG1 4.15Å; H73-I82 PolarHBondContact N-O 3.12Å; H73-I82 PolarHBondContact O-N 3.32Å; L80-I82 HydrophobicContact CD1-CG1 4.28Å; L80-I82 HydrophobicContact CG-CG1 4.34Å; I82-L130 HydrophobicContact CD1-CD1 3.77Å; I82-I166 HydrophobicContact CD1-CD1 3.52Å; I82-I166 HydrophobicContact CD1-CG1 3.85Å
83I97Very high95.1Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-113.9129.8-178.7-61.1162.5000109.4Y8 L9 I49 L69 R70 L81 L97Y8-I83 CarbonylContact C-O 3.58Å; Y8-I83 VanDerWaalsContact CA-O 3.28Å; Y8-I83 WeakPolarHBondContact CA-O 3.3Å; L9-I83 HydrophobicContact CB-CB 4.29Å; L9-I83 PolarHBondContact N-O 3.28Å; L9-I83 PolarHBondContact O-N 3.02Å; I49-I83 HydrophobicContact CD1-CD1 3.66Å; I49-I83 HydrophobicContact CD1-CG1 4.23Å; L69-I83 HydrophobicContact CD1-CG2 3.34Å; R70-I83 CarbonylContact O-C 3.53Å; R70-I83 WeakPolarHBondContact O-CA 3.41Å; L81-I83 HydrophobicContact CD1-CG1 4.18Å; L81-I83 HydrophobicContact CD2-CD1 3.87Å; L81-I83 HydrophobicContact CD2-CG1 4.15Å; L81-I83 HydrophobicContact CG-CD1 4.12Å; L81-I83 HydrophobicContact CG-CG1 3.91Å; I83-L97 HydrophobicContact CD1-CD1 3.58Å; I83-L97 HydrophobicContact CD1-CD2 4.19Å
84R96.6Very high95.3Very high37 Ų3730.5 Ų30.514%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-95.5135.6166.5179.9-178.3176.1-178.24.6109.7N6 R7 Y8 L69 R70 I72N6-R84 HydrophobicContact CB-CG 4.31Å; N6-R84 PolarHBondContact ND2-NE 2.95Å; N6-R84 PolarHBondContact ND2-NH2 3.29Å; R7-R84 WeakPolarHBondContact O-CA 3.2Å; Y8-R84 HydrophobicContact CD1-CB 4.29Å; Y8-R84 HydrophobicContact CE1-CB 4.13Å; Y8-R84 HydrophobicContact CE1-CG 4.15Å; L69-R84 CarbonylContact C-O 3.44Å; L69-R84 WeakPolarHBondContact CA-O 3.46Å; R70-R84 PolarHBondContact N-O 3.34Å; R70-R84 PolarHBondContact O-N 3.21Å; I72-R84 HydrophobicContact CD1-CB 3.67Å; I72-R84 HydrophobicContact CG1-CB 3.54Å
85C96Very high95.3Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-150.2171.6175.261.70000112.4N6 R7 L69 I93N6-C85 CarbonylContact C-O 3.45Å; N6-C85 WeakPolarHBondContact CA-O 3.49Å; N6-C85 WeakPolarHBondContact CB-O 3.39Å; R7-C85 PolarHBondContact N-O 2.84Å; R7-C85 PolarHBondContact O-N 2.81Å; L69-C85 HydrophobicContact CD1-CB 4.09Å; C85-I93 HydrophobicContact CB-CD1 3.19Å
86L96.4Very high95.5Very high25 Ų2530.7 Ų30.713%0.13116%0.157CC..EExtended strand (participates in β ladder)trans-65.9139.4169.7-74.3172.3000110.8I4 R68 S88 M89 S90I4-L86 HydrophobicContact CG2-CD2 3.44Å; I4-L86 VanDerWaalsContact CG2-CD2 3.44Å; R68-L86 HydrophobicContact CB-CD2 4.41Å; R68-L86 HydrophobicContact CB-CG 4.08Å; R68-L86 VanDerWaalsContact CD-CD2 3.48Å; R68-L86 HydrophobicContact CG-CD1 4.39Å; R68-L86 HydrophobicContact CG-CD2 4.04Å; R68-L86 HydrophobicContact CG-CG 4.04Å; L86-S88 PolarHBondContact O-N 3.31Å; L86-M89 HydrophobicContact CB-CB 4.23Å; L86-M89 HydrophobicContact CB-CG 4.08Å; L86-M89 HydrophobicContact CD1-CG 4.45Å; L86-M89 CarbonylContact O-C 3.57Å; L86-M89 PolarHBondContact O-N 3.26Å; L86-S90 PolarHBondContact O-N 3.3Å; L86-S90 VanDerWaalsContact O-N 3.07Å
87R96.2Very high95.7Very high129 Ų12929.5 Ų29.549%0.48715%0.149SC..THydrogen-bonded Turntrans-57-36.4176.1174.7176.8172.2142.1-1.3113K5 R7 M89 S90K5-R87 HydrophobicContact CB-CB 4.08Å; K5-R87 WeakPolarHBondContact O-CB 3.33Å; K5-R87 PolarHBondContact O-N 2.91Å; R7-R87 HydrophobicContact CG-CB 3.92Å; R7-R87 HydrophobicContact CG-CG 4.17Å; R87-M89 PolarHBondContact O-N 2.86Å; R87-S90 PolarHBondContact O-OG 2.82Å
88S95Very high95.9Very high80 Ų8032.9 Ų32.956%0.55917%0.172SC*.THydrogen-bonded Turntrans-69.8-19.5178.1480000113.2L86L86-S88 PolarHBondContact O-N 3.31Å
89M95.6Very high96.1Very high30 Ų3037.6 Ų37.615%0.14820%0.197CC..THydrogen-bonded Turntrans-107.9-4.7-176.6-57.3-56.5144.500113.1K64 L86 R87 V91 Y92 I93K64-M89 HydrophobicContact CB-CE 4.04Å; K64-M89 HydrophobicContact CB-SD 3.69Å; K64-M89 HydrophobicContact CD-CE 4.45Å; L86-M89 HydrophobicContact CB-CB 4.23Å; L86-M89 HydrophobicContact CB-CG 4.08Å; L86-M89 HydrophobicContact CD1-CG 4.45Å; L86-M89 CarbonylContact O-C 3.57Å; L86-M89 PolarHBondContact O-N 3.26Å; R87-M89 PolarHBondContact O-N 2.86Å; M89-V91 VanDerWaalsContact C-N 3.28Å; M89-V91 PolarHBondContact O-N 2.93Å; M89-Y92 WeakPolarHBondContact O-CB 3.34Å; M89-Y92 PolarHBondContact O-N 3.17Å; M89-Y92 VanDerWaalsContact O-N 3.14Å; M89-Y92 HydrophobicContact SD-CD2 4.23Å; M89-I93 HydrophobicContact CB-CD1 4.27Å; M89-I93 PolarHBondContact O-N 2.82Å; M89-I93 VanDerWaalsContact O-N 3.08Å
90S96.5Very high96.2Very high13 Ų1337.8 Ų37.89%0.09120%0.198CC..Hα-helixtrans-59.9-37-174.464.10000112.9L86 R87 I93 Q94L86-S90 PolarHBondContact O-N 3.3Å; L86-S90 VanDerWaalsContact O-N 3.07Å; R87-S90 PolarHBondContact O-OG 2.82Å; S90-I93 PolarHBondContact O-N 3.15Å; S90-Q94 WeakPolarHBondContact O-CB 3.21Å; S90-Q94 WeakPolarHBondContact O-CG 3.44Å; S90-Q94 PolarHBondContact O-N 3.08Å
91V96.3Very high96.1Very high88 Ų8842.1 Ų42.153%0.53322%0.224SC..Hα-helixtrans-68.4-40.1178.3179.50000111.6M89 I93 Q94 T95M89-V91 VanDerWaalsContact C-N 3.28Å; M89-V91 PolarHBondContact O-N 2.93Å; V91-I93 VanDerWaalsContact C-N 3.31Å; V91-I93 PolarHBondContact O-N 2.95Å; V91-Q94 PolarHBondContact O-N 3.39Å; V91-T95 HydrophobicContact CG1-CG2 4.45Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 WeakPolarHBondContact O-CG2 3.4Å; V91-T95 PolarHBondContact O-N 2.78Å; V91-T95 PolarHBondContact O-OG1 2.86Å
92Y96.5Very high95.9Very high104 Ų10446.3 Ų46.341%0.40824%0.244SC..Hα-helixtrans-62.6-40.7176.1-69.5-91.2000111.5H57 M89 T95 A96H57-Y92 AromaticContact CE1-CD1 3.61Å; H57-Y92 AromaticContact CG-CD1 3.8Å; H57-Y92 AromaticContact ND1-CD1 3.52Å; H57-Y92 AromaticContact NE2-CD1 3.89Å; H57-Y92 PolarHBondContact NE2-O 2.84Å; M89-Y92 WeakPolarHBondContact O-CB 3.34Å; M89-Y92 PolarHBondContact O-N 3.17Å; M89-Y92 VanDerWaalsContact O-N 3.14Å; M89-Y92 HydrophobicContact SD-CD2 4.23Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.49Å; Y92-T95 PolarHBondContact O-OG1 3.27Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3.07Å
93I97.4Very high95.6Very high0 Ų046.6 Ų46.60%025%0.245CC..Hα-helixtrans-70.1-44.9176.9-64.7157000110.5L9 I53 C65 L69 C85 M89 S90 V91 T95 A96 L97L9-I93 HydrophobicContact CD1-CB 4.32Å; L9-I93 HydrophobicContact CD1-CG2 3.77Å; I53-I93 HydrophobicContact CD1-CG1 4.11Å; C65-I93 HydrophobicContact CB-CD1 4.43Å; C65-I93 HydrophobicContact CB-CG1 4.18Å; L69-I93 HydrophobicContact CD1-CD1 3.72Å; L69-I93 HydrophobicContact CD1-CG1 4.33Å; L69-I93 HydrophobicContact CD1-CG2 4.4Å; C85-I93 HydrophobicContact CB-CD1 3.19Å; M89-I93 HydrophobicContact CB-CD1 4.27Å; M89-I93 PolarHBondContact O-N 2.82Å; M89-I93 VanDerWaalsContact O-N 3.08Å; S90-I93 PolarHBondContact O-N 3.15Å; V91-I93 VanDerWaalsContact C-N 3.31Å; V91-I93 PolarHBondContact O-N 2.95Å; I93-T95 PolarHBondContact O-N 2.86Å; I93-A96 PolarHBondContact O-N 3.43Å; I93-L97 HydrophobicContact CG2-CD1 3.81Å; I93-L97 HydrophobicContact CG2-CG 4.18Å; I93-L97 WeakPolarHBondContact O-CB 3.41Å; I93-L97 VanDerWaalsContact O-CG 3.22Å; I93-L97 WeakPolarHBondContact O-CG 3.3Å; I93-L97 PolarHBondContact O-N 3.41Å
94Q97.6Very high95.3Very high50 Ų5051.4 Ų51.423%0.23427%0.271CS..Hα-helixtrans-57.8-47.2177.8-76.7171.30.700112L9 S90 V91 L97 S98 I116 T119L9-Q94 HydrophobicContact CD1-CG 4.02Å; L9-Q94 HydrophobicContact CD2-CG 4.05Å; L9-Q94 VanDerWaalsContact CD2-NE2 3.34Å; S90-Q94 WeakPolarHBondContact O-CB 3.21Å; S90-Q94 WeakPolarHBondContact O-CG 3.44Å; S90-Q94 PolarHBondContact O-N 3.08Å; V91-Q94 PolarHBondContact O-N 3.39Å; Q94-L97 PolarHBondContact O-N 2.95Å; Q94-S98 WeakPolarHBondContact O-CB 3.32Å; Q94-S98 PolarHBondContact O-N 2.85Å; Q94-S98 PolarHBondContact O-OG 2.94Å; Q94-I116 HydrophobicContact CB-CD1 3.79Å; Q94-I116 HydrophobicContact CG-CD1 3.89Å; Q94-I116 HydrophobicContact CG-CG1 4.46Å; Q94-I116 HydrophobicContact CG-CG2 4.46Å; Q94-I116 WeakPolarHBondContact O-CD1 3.44Å; Q94-T119 PolarHBondContact NE2-OG1 3.3Å
95T96.8Very high95Very high51 Ų5149.9 Ų49.931%0.31327%0.266SS..Hα-helixtrans-62.9-44.5177.448.90000111.6H57 V91 Y92 I93 L97 S98 L99H57-T95 PolarHBondContact CE1-OG1 2.83Å; H57-T95 PolarHBondContact NE2-OG1 3.26Å; V91-T95 HydrophobicContact CG1-CG2 4.45Å; V91-T95 WeakPolarHBondContact O-CB 3.48Å; V91-T95 WeakPolarHBondContact O-CG2 3.4Å; V91-T95 PolarHBondContact O-N 2.78Å; V91-T95 PolarHBondContact O-OG1 2.86Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.49Å; Y92-T95 PolarHBondContact O-OG1 3.27Å; I93-T95 PolarHBondContact O-N 2.86Å; T95-L97 VanDerWaalsContact C-N 3.35Å; T95-L97 PolarHBondContact O-N 3.18Å; T95-S98 WeakPolarHBondContact CA-OG 3.44Å; T95-S98 PolarHBondContact O-N 3.12Å; T95-S98 PolarHBondContact O-OG 2.91Å; T95-L99 WeakPolarHBondContact O-CG 3.47Å; T95-L99 PolarHBondContact O-N 3.36Å
96A97Very high94.4Very high0 Ų056.4 Ų56.40%030%0.301CS..Hα-helixtrans-62.3-39.7176.600000112.8I53 Y92 I93 L99I53-A96 HydrophobicContact CB-CB 4.39Å; I53-A96 HydrophobicContact CG1-CB 3.63Å; Y92-A96 WeakPolarHBondContact O-CB 3.44Å; Y92-A96 PolarHBondContact O-N 3.07Å; I93-A96 PolarHBondContact O-N 3.43Å; A96-L99 PolarHBondContact O-N 2.87Å
97L96.8Very high93.9Very high1 Ų158.3 Ų58.31%0.00533%0.326CS..Hα-helixtrans-67-42.1176.4-69.7172.3000112.1L9 I49 I83 I93 Q94 T95 L99 V100 I114 I116L9-L97 HydrophobicContact CD1-CD1 4.38Å; I49-L97 HydrophobicContact CD1-CD2 4.18Å; I49-L97 HydrophobicContact CG1-CD2 3.72Å; I49-L97 HydrophobicContact CG2-CD2 4.34Å; I83-L97 HydrophobicContact CD1-CD1 3.58Å; I83-L97 HydrophobicContact CD1-CD2 4.19Å; I93-L97 HydrophobicContact CG2-CD1 3.81Å; I93-L97 HydrophobicContact CG2-CG 4.18Å; I93-L97 WeakPolarHBondContact O-CB 3.41Å; I93-L97 VanDerWaalsContact O-CG 3.22Å; I93-L97 WeakPolarHBondContact O-CG 3.3Å; I93-L97 PolarHBondContact O-N 3.41Å; Q94-L97 PolarHBondContact O-N 2.95Å; T95-L97 VanDerWaalsContact C-N 3.35Å; T95-L97 PolarHBondContact O-N 3.18Å; L97-L99 PolarHBondContact O-N 2.88Å; L97-V100 WeakPolarHBondContact O-CB 3.42Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.45Å; L97-V100 VanDerWaalsContact O-N 3.11Å; L97-I114 HydrophobicContact CB-CG2 4.22Å; L97-I114 HydrophobicContact CD2-CD1 3.97Å; L97-I114 HydrophobicContact CD2-CG2 4.31Å; L97-I116 HydrophobicContact CB-CD1 4.21Å; L97-I116 HydrophobicContact CD1-CG1 4.39Å
98S94.3Very high93.5Very high77 Ų7756.4 Ų56.454%0.53832%0.323SS..Hα-helixtrans-65.8-20.1-179.863.40000114Q94 T95Q94-S98 WeakPolarHBondContact O-CB 3.32Å; Q94-S98 PolarHBondContact O-N 2.85Å; Q94-S98 PolarHBondContact O-OG 2.94Å; T95-S98 WeakPolarHBondContact CA-OG 3.44Å; T95-S98 PolarHBondContact O-N 3.12Å; T95-S98 PolarHBondContact O-OG 2.91Å
99L94.9Very high93.2Very high104 Ų10460.7 Ų60.755%0.54533%0.332SS..THydrogen-bonded Turntrans-92.5-1.1177.7-66.1174.2000113.1T56 T95 A96 L97 T101T56-L99 HydrophobicContact CG2-CD1 3.68Å; T95-L99 WeakPolarHBondContact O-CG 3.47Å; T95-L99 PolarHBondContact O-N 3.36Å; A96-L99 PolarHBondContact O-N 2.87Å; L97-L99 PolarHBondContact O-N 2.88Å; L99-T101 PolarHBondContact O-N 3.34Å
100V94.5Very high93Very high4 Ų459.8 Ų59.82%0.02433%0.327CS..  trans-67.6119.2175178.70000109.1M48 N52 L97 L103 S112 I114M48-V100 HydrophobicContact SD-CG1 4.21Å; M48-V100 HydrophobicContact SD-CG2 3.93Å; N52-V100 HydrophobicContact CB-CG2 4.07Å; L97-V100 WeakPolarHBondContact O-CB 3.42Å; L97-V100 WeakPolarHBondContact O-CG2 3.47Å; L97-V100 PolarHBondContact O-N 3.45Å; L97-V100 VanDerWaalsContact O-N 3.11Å; V100-L103 HydrophobicContact CG1-CD2 4.31Å; V100-S112 VanDerWaalsContact O-O 3.11Å; V100-I114 HydrophobicContact CB-CD1 4.03Å; V100-I114 HydrophobicContact CB-CG1 4.16Å; V100-I114 HydrophobicContact CG1-CD1 4.02Å; V100-I114 HydrophobicContact CG1-CG1 4.21Å; V100-I114 HydrophobicContact CG2-CD1 3.94Å
101T92.5Very high92.7Very high91 Ų9164 Ų6456%0.55834%0.343SS*.  trans-111.7-21.5177.549.20000112.8L99 K111 S112L99-T101 PolarHBondContact O-N 3.34Å; T101-K111 WeakPolarHBondContact O-CA 3.47Å; T101-S112 CarbonylContact C-O 3.54Å; T101-S112 VanDerWaalsContact C-O 3.3Å; T101-S112 WeakPolarHBondContact CA-O 3.31Å; T101-S112 PolarHBondContact O-N 3.27Å
102H92.2Very high92.5Very high89 Ų8960 Ų6041%0.41232%0.319SS..EExtended strand (participates in β ladder)trans-141.4144.4-178.3-61.8-80.3000112.2R110 S112H102-R110 CarbonylContact C-O 3.5Å; H102-R110 WeakPolarHBondContact CA-O 3.35Å; H102-S112 VanDerWaalsContact CA-OG 3.3Å; H102-S112 WeakPolarHBondContact CA-OG 3.15Å; H102-S112 PolarHBondContact N-OG 2.86Å
103L92.2Very high92.3Very high5 Ų557.1 Ų57.13%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-111.5141.3165.8-68.3175.3000109.6I13 I15 L40 M48 V100 L105 K109 R110 S112I13-L103 HydrophobicContact CG2-CD1 3.92Å; I15-L103 HydrophobicContact CD1-CD1 3.57Å; I15-L103 HydrophobicContact CG1-CD1 3.89Å; L40-L103 HydrophobicContact CD2-CD1 4.37Å; M48-L103 HydrophobicContact CE-CD2 3.73Å; M48-L103 HydrophobicContact CG-CD2 3.47Å; M48-L103 VanDerWaalsContact CG-CD2 3.47Å; M48-L103 HydrophobicContact SD-CD2 3.83Å; V100-L103 HydrophobicContact CG1-CD2 4.31Å; L103-L105 HydrophobicContact CB-CD2 4.48Å; L103-K109 WeakPolarHBondContact O-CA 3.38Å; L103-R110 PolarHBondContact N-O 3Å; L103-R110 PolarHBondContact O-N 2.79Å; L103-S112 WeakPolarHBondContact CG-OG 3.22Å; L103-S112 PolarHBondContact N-OG 3.24Å
104D90.8Very high92.2Very high102 Ų10257.3 Ų57.355%0.54531%0.313SS..EExtended strand (participates in β ladder)trans-90.2113.6170.3-165.5-15.9000108.8G107 Q108D104-G107 WeakPolarHBondContact OD1-CA 3.34Å; D104-G107 PolarHBondContact OD1-N 2.95Å; D104-Q108 PolarHBondContact OD1-N 3.47Å
105L89.2Confident92Very high4 Ų458 Ų582%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-110.795.3175.7-58.5-173.2000108.5I15 A36 A37 L40 L103 G107 Q108 R110I15-L105 HydrophobicContact CG2-CD1 4.1Å; A36-L105 HydrophobicContact CB-CB 4.18Å; A36-L105 HydrophobicContact CB-CD1 4.44Å; A37-L105 HydrophobicContact CB-CD1 3.7Å; L40-L105 HydrophobicContact CD1-CD2 3.92Å; L40-L105 HydrophobicContact CD2-CD2 4.44Å; L103-L105 HydrophobicContact CB-CD2 4.48Å; L105-G107 VanDerWaalsContact C-N 3.3Å; L105-G107 PolarHBondContact O-N 2.81Å; L105-Q108 PolarHBondContact N-O 3.2Å; L105-Q108 PolarHBondContact O-N 2.86Å; L105-Q108 VanDerWaalsContact O-N 3.09Å; L105-R110 HydrophobicContact CB-CG 4.13Å; L105-R110 HydrophobicContact CD1-CB 4.37Å; L105-R110 HydrophobicContact CD1-CG 3.7Å; L105-R110 HydrophobicContact CG-CG 3.82Å
106N84.6Confident92Very high137 Ų13758.2 Ų58.273%0.73332%0.317SS*.THydrogen-bonded Turntrans52.942.8179.2-59.1-35.1000113.7
107G84.9Confident91.9Very high65 Ų6563.7 Ų63.767%0.6734%0.339SS*.THydrogen-bonded Turntrans90.8-3.9179.600000114.3D104 L105D104-G107 WeakPolarHBondContact OD1-CA 3.34Å; D104-G107 PolarHBondContact OD1-N 2.95Å; L105-G107 VanDerWaalsContact C-N 3.3Å; L105-G107 PolarHBondContact O-N 2.81Å
108Q87.7Confident91.9Very high89 Ų8966.5 Ų66.542%0.41635%0.352SS..EExtended strand (participates in β ladder)trans-98.4119.9172.9-60.7-175.412.900110.1D104 L105 R110D104-Q108 PolarHBondContact OD1-N 3.47Å; L105-Q108 PolarHBondContact N-O 3.2Å; L105-Q108 PolarHBondContact O-N 2.86Å; L105-Q108 VanDerWaalsContact O-N 3.09Å; Q108-R110 HydrophobicContact CB-CG 4.48Å; Q108-R110 WeakPolarHBondContact O-CG 3.33Å; Q108-R110 PolarHBondContact O-N 2.83Å
109K90Very high92Very high171 Ų17165.1 Ų65.174%0.74334%0.34SS*.EExtended strand (participates in β ladder)trans-77.6118.9170.7-70.4-173.5179-179.40110.1L103L103-K109 WeakPolarHBondContact O-CA 3.38Å
110R89.8Confident92.1Very high11 Ų1160.3 Ų60.34%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-116.9131.4-175.3-51.1-71.2-92.7121.215.2108.3I15 Q16 P17 Q18 D34 H102 L103 L105 Q108 S112I15-R110 HydrophobicContact CG2-CB 4.21Å; Q16-R110 PolarHBondContact O-NH1 3.42Å; Q16-R110 PolarHBondContact O-NH2 2.79Å; P17-R110 VanDerWaalsContact C-NH1 3.26Å; P17-R110 PolarHBondContact O-NH1 3.15Å; P17-R110 PolarHBondContact O-NH2 3.13Å; Q18-R110 VanDerWaalsContact CA-NH1 3.3Å; D34-R110 IonicContact OD2-CZ 3.11Å; D34-R110 IonicContact OD2-NH2 3.56Å; D34-R110 PolarHBondContact OD2-NH2 2.9Å; H102-R110 CarbonylContact C-O 3.5Å; H102-R110 WeakPolarHBondContact CA-O 3.35Å; L103-R110 PolarHBondContact N-O 3Å; L103-R110 PolarHBondContact O-N 2.79Å; L105-R110 HydrophobicContact CB-CG 4.13Å; L105-R110 HydrophobicContact CD1-CB 4.37Å; L105-R110 HydrophobicContact CD1-CG 3.7Å; L105-R110 HydrophobicContact CG-CG 3.82Å; Q108-R110 HydrophobicContact CB-CG 4.48Å; Q108-R110 WeakPolarHBondContact O-CG 3.33Å; Q108-R110 PolarHBondContact O-N 2.83Å; R110-S112 PolarHBondContact O-N 3.03Å
111K91.3Very high92.1Very high102 Ų10262 Ų6244%0.44333%0.333SS..EExtended strand (participates in β ladder)trans-60.4136.9174.7-67.8175.5179.7179.70109.1Q16 F23 T101Q16-K111 HydrophobicContact CB-CB 4.02Å; Q16-K111 WeakPolarHBondContact CB-O 3.36Å; Q16-K111 PolarHBondContact N-O 3.07Å; Q16-K111 VanDerWaalsContact OE1-CB 3.31Å; Q16-K111 VanDerWaalsContact OE1-N 3.08Å; F23-K111 HydrophobicContact CD1-CB 3.93Å; F23-K111 HydrophobicContact CE1-CB 4.42Å; T101-K111 WeakPolarHBondContact O-CA 3.47Å
112S91.8Very high92.2Very high2 Ų261.6 Ų61.61%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-150.5149-175.659.70000110.4S14 V100 T101 H102 L103 R110S14-S112 CarbonylContact O-C 3.3Å; S14-S112 WeakPolarHBondContact O-CA 3.5Å; V100-S112 VanDerWaalsContact O-O 3.11Å; T101-S112 CarbonylContact C-O 3.54Å; T101-S112 VanDerWaalsContact C-O 3.3Å; T101-S112 WeakPolarHBondContact CA-O 3.31Å; T101-S112 PolarHBondContact O-N 3.27Å; H102-S112 VanDerWaalsContact CA-OG 3.3Å; H102-S112 WeakPolarHBondContact CA-OG 3.15Å; H102-S112 PolarHBondContact N-OG 2.86Å; L103-S112 WeakPolarHBondContact CG-OG 3.22Å; L103-S112 PolarHBondContact N-OG 3.24Å; R110-S112 PolarHBondContact O-N 3.03Å
113V93Very high92.3Very high45 Ų4557.9 Ų57.927%0.27331%0.314SS..EExtended strand (participates in β ladder)trans-129.9137172.3178.10000108.3I13 S14 P25 D115I13-V113 WeakPolarHBondContact CA-O 3.46Å; S14-V113 PolarHBondContact N-O 3.49Å; S14-V113 PolarHBondContact O-N 3.25Å; P25-V113 HydrophobicContact CB-CB 4.02Å; P25-V113 HydrophobicContact CB-CG2 3.6Å; P25-V113 HydrophobicContact CG-CG2 3.87Å; V113-D115 WeakPolarHBondContact CG1-OD1 3.47Å
114I94.8Very high92.5Very high3 Ų367.7 Ų67.72%0.01535%0.351CS..EExtended strand (participates in β ladder)trans-114.2108.7175.2-51.9-174.6000108.7C11 I13 M48 L97 V100C11-I114 HydrophobicContact CB-CG2 3.94Å; I13-I114 HydrophobicContact CD1-CD1 4.02Å; I13-I114 HydrophobicContact CD1-CG1 4.2Å; I13-I114 HydrophobicContact CG1-CD1 4.34Å; I13-I114 HydrophobicContact CG1-CG1 4Å; I13-I114 HydrophobicContact CG1-CG2 4.18Å; I13-I114 HydrophobicContact CG2-CG1 4.41Å; M48-I114 HydrophobicContact CE-CD1 3.58Å; M48-I114 HydrophobicContact SD-CD1 4.31Å; L97-I114 HydrophobicContact CB-CG2 4.22Å; L97-I114 HydrophobicContact CD2-CD1 3.97Å; L97-I114 HydrophobicContact CD2-CG2 4.31Å; V100-I114 HydrophobicContact CB-CD1 4.03Å; V100-I114 HydrophobicContact CB-CG1 4.16Å; V100-I114 HydrophobicContact CG1-CD1 4.02Å; V100-I114 HydrophobicContact CG1-CG1 4.21Å; V100-I114 HydrophobicContact CG2-CD1 3.94Å
115D93.8Very high92.7Very high66 Ų6664 Ų6435%0.35334%0.337SS..EExtended strand (participates in β ladder)trans-98.1126.8179.7-68.2-38.7000110.2C11 F12 V113 Y117C11-D115 CarbonylContact C-O 3.54Å; C11-D115 WeakPolarHBondContact CA-O 3.13Å; C11-D115 WeakPolarHBondContact CB-O 3.17Å; F12-D115 PolarHBondContact N-O 3.3Å; F12-D115 PolarHBondContact O-N 3.1Å; V113-D115 WeakPolarHBondContact CG1-OD1 3.47Å; D115-Y117 HydrophobicContact CB-CD2 3.94Å; D115-Y117 HydrophobicContact CB-CE2 3.53Å
116I95.8Very high93Very high54 Ų5463.9 Ų63.928%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-91.5114.5174.4-58.5130.5000108.6Q94 L97Q94-I116 HydrophobicContact CB-CD1 3.79Å; Q94-I116 HydrophobicContact CG-CD1 3.89Å; Q94-I116 HydrophobicContact CG-CG1 4.46Å; Q94-I116 HydrophobicContact CG-CG2 4.46Å; Q94-I116 WeakPolarHBondContact O-CD1 3.44Å; L97-I116 HydrophobicContact CB-CD1 4.21Å; L97-I116 HydrophobicContact CD1-CG1 4.39Å
117Y94.6Very high93.5Very high116 Ų11659.2 Ų59.246%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-93.7-34.4-177-85.7-115000112.7V10 F12 D115 F133V10-Y117 PolarHBondContact O-N 2.92Å; F12-Y117 HydrophobicContact CB-CD2 4.32Å; F12-Y117 HydrophobicContact CB-CE2 4.02Å; F12-Y117 HydrophobicContact CD2-CD1 4.21Å; F12-Y117 AromaticContact CD2-CD2 3.49Å; F12-Y117 HydrophobicContact CD2-CD2 3.49Å; F12-Y117 VanDerWaalsContact CD2-CD2 3.49Å; F12-Y117 HydrophobicContact CD2-CE1 4.41Å; F12-Y117 AromaticContact CD2-CE2 3.7Å; F12-Y117 HydrophobicContact CD2-CE2 3.7Å; F12-Y117 AromaticContact CD2-CG 3.75Å; F12-Y117 HydrophobicContact CD2-CG 3.75Å; F12-Y117 HydrophobicContact CE2-CD1 4.33Å; F12-Y117 HydrophobicContact CE2-CD2 4.31Å; F12-Y117 HydrophobicContact CE2-CG 4.11Å; F12-Y117 HydrophobicContact CG-CD2 4.37Å; F12-Y117 HydrophobicContact CG-CE2 4.27Å; D115-Y117 HydrophobicContact CB-CD2 3.94Å; D115-Y117 HydrophobicContact CB-CE2 3.53Å; Y117-F133 AromaticContact CD1-CE2 3.89Å; Y117-F133 HydrophobicContact CD1-CE2 3.89Å; Y117-F133 HydrophobicContact CE1-CE2 4.02Å; Y117-F133 HydrophobicContact CE1-CZ 4.48Å
118H96.8Very high94.1Very high60 Ų6062.8 Ų62.828%0.27831%0.307SS..EExtended strand (participates in β ladder)trans-152.1152.1-175.1-175.267.8000112.9V10 S120 F129V10-H118 HydrophobicContact CB-CB 4.12Å; V10-H118 HydrophobicContact CG2-CB 4.32Å; V10-H118 PolarHBondContact N-O 3.38Å; V10-H118 PolarHBondContact O-N 3.46Å; H118-S120 PolarHBondContact CD2-OG 2.94Å; H118-S120 PolarHBondContact NE2-OG 3.34Å; H118-F129 HydrophobicContact CB-CD1 3.77Å; H118-F129 HydrophobicContact CB-CD2 3.84Å; H118-F129 HydrophobicContact CB-CE1 3.6Å; H118-F129 HydrophobicContact CB-CE2 3.67Å; H118-F129 HydrophobicContact CB-CG 3.89Å; H118-F129 HydrophobicContact CB-CZ 3.55Å; H118-F129 AromaticContact CD2-CD1 3.99Å; H118-F129 AromaticContact CD2-CD2 3.95Å; H118-F129 AromaticContact CD2-CG 3.58Å; H118-F129 AromaticContact CG-CD1 3.98Å; H118-F129 AromaticContact CG-CD2 3.58Å; H118-F129 AromaticContact CG-CE2 3.9Å; H118-F129 AromaticContact CG-CG 3.63Å; H118-F129 AromaticContact ND1-CD2 3.82Å
119T97.2Very high94.5Very high47 Ų4760.5 Ų60.529%0.28830%0.296SS..EExtended strand (participates in β ladder)trans-128.8114.9173.6-62.90000110.2R7 Y8 L9 Q94R7-T119 HydrophobicContact CB-CG2 4.21Å; R7-T119 HydrophobicContact CG-CG2 4.3Å; Y8-T119 CarbonylContact O-C 3.49Å; Y8-T119 WeakPolarHBondContact O-CA 3.38Å; L9-T119 HydrophobicContact CD2-CG2 3.86Å; L9-T119 WeakPolarHBondContact CD2-OG1 3.28Å; Q94-T119 PolarHBondContact NE2-OG1 3.3Å
120S96.4Very high94.8Very high4 Ų452.4 Ų52.43%0.02826%0.261CS..EExtended strand (participates in β ladder)trans-104.9153.9178-45.10000112.2R7 Y8 H118 C126R7-S120 WeakPolarHBondContact CA-O 3.33Å; R7-S120 WeakPolarHBondContact CD-O 3.22Å; Y8-S120 PolarHBondContact N-O 2.66Å; Y8-S120 PolarHBondContact O-N 3.32Å; H118-S120 PolarHBondContact CD2-OG 2.94Å; H118-S120 PolarHBondContact NE2-OG 3.34Å; S120-C126 WeakPolarHBondContact OG-CA 3.34Å; S120-C126 PolarHBondContact OG-N 3.04Å
121G95.6Very high95Very high38 Ų3855.3 Ų55.339%0.39228%0.28SS..SBendtrans-91.1-15.6172.100000114.6
122T94.6Very high95.1Very high83 Ų8355.8 Ų55.851%0.50929%0.285SS..SBendtrans-142.3156.3-175.562.50000110.1R124 G125 C126T122-R124 VanDerWaalsContact C-N 3.34Å; T122-R124 PolarHBondContact O-N 2.94Å; T122-G125 PolarHBondContact O-N 3.15Å; T122-G125 PolarHBondContact OG1-N 3.47Å; T122-G125 VanDerWaalsContact OG1-N 3.1Å; T122-C126 PolarHBondContact O-N 2.81Å; T122-C126 VanDerWaalsContact O-N 3.07Å
123V94.5Very high95.2Very high12 Ų1256.9 Ų56.97%0.07329%0.29CS..Hα-helixtrans-58.8-45.8173.9175.90000111.2Y8 G125 C126 Q127 I166 E168Y8-V123 HydrophobicContact CE1-CG2 3.67Å; Y8-V123 HydrophobicContact CE2-CG2 4.06Å; Y8-V123 VanDerWaalsContact CZ-CG2 3.4Å; Y8-V123 VanDerWaalsContact OH-CG2 3.27Å; Y8-V123 WeakPolarHBondContact OH-CG2 3.43Å; V123-G125 VanDerWaalsContact C-N 3.29Å; V123-G125 PolarHBondContact O-N 3.47Å; V123-C126 CarbonylContact O-C 3.59Å; V123-C126 WeakPolarHBondContact O-CA 3.28Å; V123-C126 WeakPolarHBondContact O-CB 3.34Å; V123-C126 PolarHBondContact O-N 3Å; V123-Q127 HydrophobicContact CG1-CG 4.13Å; V123-Q127 WeakPolarHBondContact O-CG 3.42Å; V123-Q127 PolarHBondContact O-N 3.26Å; V123-I166 HydrophobicContact CG1-CB 3.85Å; V123-I166 HydrophobicContact CG1-CG2 3.86Å; V123-I166 VanDerWaalsContact CG1-O 3.31Å; V123-I166 WeakPolarHBondContact CG1-O 3.18Å; V123-E168 HydrophobicContact CG2-CG 3.53Å
124R94.7Very high95.1Very high210 Ų21055.1 Ų55.179%0.79228%0.278SS*.Hα-helixtrans-57.5-39.8177.1-65.4-176.9-176.7172.30.7112.7T122 K128T122-R124 VanDerWaalsContact C-N 3.34Å; T122-R124 PolarHBondContact O-N 2.94Å; R124-K128 VanDerWaalsContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CB 3.35Å; R124-K128 PolarHBondContact O-N 2.94Å
125G95.5Very high94.9Very high26 Ų2657.3 Ų57.327%0.26829%0.294SS..Hα-helixtrans-66.1-38.8175.500000112.4T122 V123 F129T122-G125 PolarHBondContact O-N 3.15Å; T122-G125 PolarHBondContact OG1-N 3.47Å; T122-G125 VanDerWaalsContact OG1-N 3.1Å; V123-G125 VanDerWaalsContact C-N 3.29Å; V123-G125 PolarHBondContact O-N 3.47Å; G125-F129 PolarHBondContact O-N 3.03Å; G125-F129 VanDerWaalsContact O-N 3.08Å
126C95.5Very high94.8Very high0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-66.8-48.2176.3-1710000111.6V10 S120 T122 V123 K128 F129 L130 I166V10-C126 WeakPolarHBondContact CG2-SG 3.28Å; S120-C126 WeakPolarHBondContact OG-CA 3.34Å; S120-C126 PolarHBondContact OG-N 3.04Å; T122-C126 PolarHBondContact O-N 2.81Å; T122-C126 VanDerWaalsContact O-N 3.07Å; V123-C126 CarbonylContact O-C 3.59Å; V123-C126 WeakPolarHBondContact O-CA 3.28Å; V123-C126 WeakPolarHBondContact O-CB 3.34Å; V123-C126 PolarHBondContact O-N 3Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-K128 PolarHBondContact O-N 3.35Å; C126-F129 WeakPolarHBondContact O-CB 3.36Å; C126-F129 PolarHBondContact O-N 2.89Å; C126-F129 VanDerWaalsContact O-N 3.15Å; C126-L130 WeakPolarHBondContact O-CG 3.47Å; C126-L130 PolarHBondContact O-N 3.44Å; C126-I166 HydrophobicContact CB-CD1 3.89Å; C126-I166 WeakPolarHBondContact SG-CD1 3.35Å
127Q95.7Very high94.4Very high39 Ų3957.9 Ų57.918%0.18229%0.293CS..Hα-helixtrans-58.6-44.1175-70.6175.4-17.400111.6V123 F129 L130 V131 Y165 I166V123-Q127 HydrophobicContact CG1-CG 4.13Å; V123-Q127 WeakPolarHBondContact O-CG 3.42Å; V123-Q127 PolarHBondContact O-N 3.26Å; Q127-F129 VanDerWaalsContact C-N 3.31Å; Q127-F129 PolarHBondContact O-N 3.43Å; Q127-L130 PolarHBondContact O-N 3.34Å; Q127-V131 WeakPolarHBondContact O-CG2 3.19Å; Q127-V131 PolarHBondContact O-N 3.42Å; Q127-Y165 VanDerWaalsContact NE2-CE2 3.34Å; Q127-I166 HydrophobicContact CG-CB 4.1Å; Q127-I166 HydrophobicContact CG-CD1 4.03Å; Q127-I166 HydrophobicContact CG-CG1 4.1Å; Q127-I166 PolarHBondContact NE2-O 3.37Å
128K96.3Very high94Very high140 Ų14053.9 Ų53.961%0.60928%0.279SS*.Hα-helixtrans-58.1-43.4175.4178.9172.4179.5177.70111.9R124 C126 M132R124-K128 VanDerWaalsContact O-CB 3.31Å; R124-K128 WeakPolarHBondContact O-CB 3.35Å; R124-K128 PolarHBondContact O-N 2.94Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-K128 PolarHBondContact O-N 3.35Å; K128-M132 HydrophobicContact CD-CE 4.13Å; K128-M132 HydrophobicContact CG-CE 3.76Å; K128-M132 WeakPolarHBondContact O-CG 3.42Å; K128-M132 PolarHBondContact O-N 2.86Å
129F96.7Very high93.3Very high42 Ų4257.7 Ų57.718%0.18430%0.295CS..Hα-helixtrans-61.8-46.9174.6171.4-95000111.6V10 H118 G125 C126 Q127 V131 M132 F133V10-F129 HydrophobicContact CB-CD1 4.4Å; V10-F129 HydrophobicContact CB-CE1 4.2Å; V10-F129 HydrophobicContact CG1-CD1 4.26Å; V10-F129 HydrophobicContact CG1-CE1 3.86Å; V10-F129 HydrophobicContact CG2-CD1 4.11Å; V10-F129 HydrophobicContact CG2-CE1 4.42Å; H118-F129 HydrophobicContact CB-CD1 3.77Å; H118-F129 HydrophobicContact CB-CD2 3.84Å; H118-F129 HydrophobicContact CB-CE1 3.6Å; H118-F129 HydrophobicContact CB-CE2 3.67Å; H118-F129 HydrophobicContact CB-CG 3.89Å; H118-F129 HydrophobicContact CB-CZ 3.55Å; H118-F129 AromaticContact CD2-CD1 3.99Å; H118-F129 AromaticContact CD2-CD2 3.95Å; H118-F129 AromaticContact CD2-CG 3.58Å; H118-F129 AromaticContact CG-CD1 3.98Å; H118-F129 AromaticContact CG-CD2 3.58Å; H118-F129 AromaticContact CG-CE2 3.9Å; H118-F129 AromaticContact CG-CG 3.63Å; H118-F129 AromaticContact ND1-CD2 3.82Å; G125-F129 PolarHBondContact O-N 3.03Å; G125-F129 VanDerWaalsContact O-N 3.08Å; C126-F129 WeakPolarHBondContact O-CB 3.36Å; C126-F129 PolarHBondContact O-N 2.89Å; C126-F129 VanDerWaalsContact O-N 3.15Å; Q127-F129 VanDerWaalsContact C-N 3.31Å; Q127-F129 PolarHBondContact O-N 3.43Å; F129-V131 PolarHBondContact O-N 3.22Å; F129-M132 PolarHBondContact O-N 2.93Å; F129-F133 HydrophobicContact CE1-CB 4.26Å; F129-F133 HydrophobicContact CE1-CD2 4.42Å; F129-F133 HydrophobicContact CE1-CG 4.5Å; F129-F133 HydrophobicContact CZ-CB 4.35Å; F129-F133 HydrophobicContact CZ-CD2 4.04Å; F129-F133 HydrophobicContact CZ-CG 4.49Å; F129-F133 WeakPolarHBondContact O-CB 3.04Å; F129-F133 PolarHBondContact O-N 3.3Å
130L95.4Very high92.3Very high0 Ų058.8 Ų58.80%031%0.305CS..Hα-helixtrans-61-42.3179.9-69.2178.3000112.6V10 L80 I82 C126 Q127 M132 F133 Y134 P163 P164 I166V10-L130 HydrophobicContact CG1-CD2 3.96Å; L80-L130 HydrophobicContact CD1-CD2 4.03Å; L80-L130 HydrophobicContact CD2-CD2 4.08Å; I82-L130 HydrophobicContact CD1-CD1 3.77Å; C126-L130 WeakPolarHBondContact O-CG 3.47Å; C126-L130 PolarHBondContact O-N 3.44Å; Q127-L130 PolarHBondContact O-N 3.34Å; L130-M132 VanDerWaalsContact C-N 3.35Å; L130-M132 PolarHBondContact O-N 2.93Å; L130-F133 PolarHBondContact O-N 2.88Å; L130-Y134 WeakPolarHBondContact O-CB 3.15Å; L130-Y134 VanDerWaalsContact O-CD2 3.28Å; L130-Y134 WeakPolarHBondContact O-CD2 3.49Å; L130-Y134 PolarHBondContact O-N 3.06Å; L130-P163 HydrophobicContact CB-CB 4.03Å; L130-P164 HydrophobicContact CD1-CG 4.14Å; L130-I166 HydrophobicContact CD1-CD1 3.75Å; L130-I166 HydrophobicContact CD1-CG1 4.19Å
131V94.6Very high91.1Very high73 Ų7362.8 Ų62.844%0.44232%0.319SS..Hα-helixtrans-58.9-47.7175.4173.60000110.6Q127 F129 F133 S135 P163Q127-V131 WeakPolarHBondContact O-CG2 3.19Å; Q127-V131 PolarHBondContact O-N 3.42Å; F129-V131 PolarHBondContact O-N 3.22Å; V131-F133 PolarHBondContact O-N 3.44Å; V131-S135 VanDerWaalsContact O-CB 3.29Å; V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 3.17Å; V131-S135 PolarHBondContact O-OG 3.15Å; V131-P163 HydrophobicContact CB-CG 4.41Å; V131-P163 HydrophobicContact CG2-CG 3.7Å
132M94.7Very high89.7Confident112 Ų11266.7 Ų66.755%0.55234%0.337SS*.Hα-helixtrans-63-42.3177.5-67.7177.9-175.500112.2K128 F129 L130 H136K128-M132 HydrophobicContact CD-CE 4.13Å; K128-M132 HydrophobicContact CG-CE 3.76Å; K128-M132 WeakPolarHBondContact O-CG 3.42Å; K128-M132 PolarHBondContact O-N 2.86Å; F129-M132 PolarHBondContact O-N 2.93Å; L130-M132 VanDerWaalsContact C-N 3.35Å; L130-M132 PolarHBondContact O-N 2.93Å; M132-H136 VanDerWaalsContact O-CB 3.29Å; M132-H136 WeakPolarHBondContact O-CB 3.42Å; M132-H136 PolarHBondContact O-N 3.3Å
133F93.1Very high88.5Confident25 Ų2571.7 Ų71.711%0.1136%0.355CS..Hα-helixtrans-62.5-51.7179.4-176.7-89.4000111.4F12 Y117 F129 L130 V131 S135 H136 H137 L150F12-F133 HydrophobicContact CD2-CZ 4.43Å; F12-F133 HydrophobicContact CE1-CE1 4.14Å; F12-F133 HydrophobicContact CE1-CZ 4.42Å; F12-F133 HydrophobicContact CE2-CD1 4.43Å; F12-F133 AromaticContact CE2-CE1 3.77Å; F12-F133 HydrophobicContact CE2-CE1 3.77Å; F12-F133 HydrophobicContact CE2-CE2 4Å; F12-F133 AromaticContact CE2-CZ 3.52Å; F12-F133 HydrophobicContact CE2-CZ 3.52Å; F12-F133 AromaticContact CZ-CD1 3.95Å; F12-F133 HydrophobicContact CZ-CD1 3.95Å; F12-F133 AromaticContact CZ-CE1 3.28Å; F12-F133 HydrophobicContact CZ-CE1 3.28Å; F12-F133 HydrophobicContact CZ-CE2 4.36Å; F12-F133 AromaticContact CZ-CZ 3.52Å; F12-F133 HydrophobicContact CZ-CZ 3.52Å; Y117-F133 AromaticContact CD1-CE2 3.89Å; Y117-F133 HydrophobicContact CD1-CE2 3.89Å; Y117-F133 HydrophobicContact CE1-CE2 4.02Å; Y117-F133 HydrophobicContact CE1-CZ 4.48Å; F129-F133 HydrophobicContact CE1-CB 4.26Å; F129-F133 HydrophobicContact CE1-CD2 4.42Å; F129-F133 HydrophobicContact CE1-CG 4.5Å; F129-F133 HydrophobicContact CZ-CB 4.35Å; F129-F133 HydrophobicContact CZ-CD2 4.04Å; F129-F133 HydrophobicContact CZ-CG 4.49Å; F129-F133 WeakPolarHBondContact O-CB 3.04Å; F129-F133 PolarHBondContact O-N 3.3Å; L130-F133 PolarHBondContact O-N 2.88Å; V131-F133 PolarHBondContact O-N 3.44Å; F133-S135 PolarHBondContact O-N 3.33Å; F133-H136 PolarHBondContact O-N 2.6Å; F133-H137 AromaticContact CD1-CD2 3.95Å; F133-H137 AromaticContact CD2-CD2 3.76Å; F133-H137 AromaticContact CD2-NE2 3.89Å; F133-H137 AromaticContact CE1-CD2 3.71Å; F133-H137 AromaticContact CE2-CD2 3.52Å; F133-H137 AromaticContact CE2-NE2 3.3Å; F133-H137 VanDerWaalsContact CE2-NE2 3.3Å; F133-H137 WeakPolarHBondContact CE2-NE2 3.34Å; F133-H137 AromaticContact CG-CD2 3.98Å; F133-H137 AromaticContact CZ-CD2 3.49Å; F133-H137 VanDerWaalsContact CZ-CD2 3.49Å; F133-H137 WeakPolarHBondContact CZ-CD2 3.4Å; F133-H137 AromaticContact CZ-NE2 3.48Å; F133-H137 WeakPolarHBondContact CZ-NE2 3.5Å; F133-H137 PolarHBondContact O-CD2 3.43Å; F133-H137 VanDerWaalsContact O-CD2 3.25Å; F133-H137 PolarHBondContact O-N 2.89Å; F133-L150 HydrophobicContact CD1-CD1 4.13Å; F133-L150 HydrophobicContact CE1-CD1 3.77Å
134Y91.6Very high87.2Confident7 Ų776 Ų763%0.02737%0.374CS..Hα-helixtrans-60.7-48.2178.3-87.3-119.7000110.8L80 L130 H136 H137 L138 L150 P163L80-Y134 HydrophobicContact CD2-CE2 4.36Å; L130-Y134 WeakPolarHBondContact O-CB 3.15Å; L130-Y134 VanDerWaalsContact O-CD2 3.28Å; L130-Y134 WeakPolarHBondContact O-CD2 3.49Å; L130-Y134 PolarHBondContact O-N 3.06Å; Y134-H136 VanDerWaalsContact C-N 3.28Å; Y134-H136 PolarHBondContact O-N 2.96Å; Y134-H137 PolarHBondContact O-N 3.08Å; Y134-L138 HydrophobicContact CD1-CD1 4.28Å; Y134-L138 VanDerWaalsContact O-CB 3.24Å; Y134-L138 WeakPolarHBondContact O-CB 3.38Å; Y134-L138 VanDerWaalsContact O-CG 3.29Å; Y134-L138 WeakPolarHBondContact O-CG 3.41Å; Y134-L138 PolarHBondContact O-N 3.22Å; Y134-L150 HydrophobicContact CD1-CD1 4.18Å; Y134-L150 HydrophobicContact CD1-CD2 3.94Å; Y134-L150 HydrophobicContact CD2-CD1 3.95Å; Y134-L150 HydrophobicContact CE1-CD1 4.04Å; Y134-L150 HydrophobicContact CE1-CD2 4.07Å; Y134-L150 HydrophobicContact CE1-CG 4.43Å; Y134-L150 HydrophobicContact CE2-CD1 3.8Å; Y134-L150 HydrophobicContact CG-CD1 4.13Å; Y134-L150 HydrophobicContact CG-CD2 4.44Å; Y134-P163 HydrophobicContact CD1-CB 4.2Å; Y134-P163 HydrophobicContact CD2-CB 4.01Å; Y134-P163 HydrophobicContact CE2-CB 4.34Å; Y134-P163 HydrophobicContact CG-CB 3.94Å
135S90.9Very high86Confident50 Ų5072.4 Ų72.435%0.3538%0.375SS..Hα-helixtrans-59.5-40.1178.7-65.50000112.4V131 F133 F139 S140V131-S135 VanDerWaalsContact O-CB 3.29Å; V131-S135 WeakPolarHBondContact O-CB 3.47Å; V131-S135 PolarHBondContact O-N 3.17Å; V131-S135 PolarHBondContact O-OG 3.15Å; F133-S135 PolarHBondContact O-N 3.33Å; S135-F139 WeakPolarHBondContact O-CB 3.37Å; S135-F139 PolarHBondContact O-N 2.9Å; S135-S140 PolarHBondContact O-N 2.79Å
136H90.3Very high85Confident88 Ų8878.9 Ų78.941%0.40740%0.397SS..Hα-helixtrans-66.3-45.3177.2-174.668000112.4M132 F133 Y134 S140M132-H136 VanDerWaalsContact O-CB 3.29Å; M132-H136 WeakPolarHBondContact O-CB 3.42Å; M132-H136 PolarHBondContact O-N 3.3Å; F133-H136 PolarHBondContact O-N 2.6Å; Y134-H136 VanDerWaalsContact C-N 3.28Å; Y134-H136 PolarHBondContact O-N 2.96Å; H136-S140 WeakPolarHBondContact CA-OG 3.24Å; H136-S140 PolarHBondContact ND1-OG 3.14Å; H136-S140 VanDerWaalsContact O-CB 3.25Å; H136-S140 WeakPolarHBondContact O-CB 3.35Å; H136-S140 PolarHBondContact O-N 3.38Å
137H87.5Confident84.1Confident43 Ų4386.6 Ų86.620%0.19943%0.426CS..Hα-helixtrans-77.5-22.6-176.7-80.2-85000114.1F133 Y134 T148 L150F133-H137 AromaticContact CD1-CD2 3.95Å; F133-H137 AromaticContact CD2-CD2 3.76Å; F133-H137 AromaticContact CD2-NE2 3.89Å; F133-H137 AromaticContact CE1-CD2 3.71Å; F133-H137 AromaticContact CE2-CD2 3.52Å; F133-H137 AromaticContact CE2-NE2 3.3Å; F133-H137 VanDerWaalsContact CE2-NE2 3.3Å; F133-H137 WeakPolarHBondContact CE2-NE2 3.34Å; F133-H137 AromaticContact CG-CD2 3.98Å; F133-H137 AromaticContact CZ-CD2 3.49Å; F133-H137 VanDerWaalsContact CZ-CD2 3.49Å; F133-H137 WeakPolarHBondContact CZ-CD2 3.4Å; F133-H137 AromaticContact CZ-NE2 3.48Å; F133-H137 WeakPolarHBondContact CZ-NE2 3.5Å; F133-H137 PolarHBondContact O-CD2 3.43Å; F133-H137 VanDerWaalsContact O-CD2 3.25Å; F133-H137 PolarHBondContact O-N 2.89Å; Y134-H137 PolarHBondContact O-N 3.08Å; H137-T148 HydrophobicContact CB-CG2 4.33Å; H137-T148 PolarHBondContact O-OG1 2.98Å; H137-L150 HydrophobicContact CB-CB 4.38Å
138L85.7Confident83.5Confident32 Ų3285.3 Ų85.317%0.16842%0.42CS..Hα-helixtrans-95.3-42178.9-67.9178.6000113.6Y134 L150 V154 P161Y134-L138 HydrophobicContact CD1-CD1 4.28Å; Y134-L138 VanDerWaalsContact O-CB 3.24Å; Y134-L138 WeakPolarHBondContact O-CB 3.38Å; Y134-L138 VanDerWaalsContact O-CG 3.29Å; Y134-L138 WeakPolarHBondContact O-CG 3.41Å; Y134-L138 PolarHBondContact O-N 3.22Å; L138-L150 HydrophobicContact CD1-CD2 3.84Å; L138-L150 HydrophobicContact CD2-CD2 3.39Å; L138-L150 HydrophobicContact CG-CD2 3.54Å; L138-V154 HydrophobicContact CD1-CG2 4.38Å; L138-V154 HydrophobicContact CD2-CB 4.3Å; L138-V154 HydrophobicContact CD2-CG2 3.89Å; L138-P161 HydrophobicContact CD1-CB 4.36Å; L138-P161 WeakPolarHBondContact CD1-O 3.49Å
139F83Confident82.8Confident140 Ų14079.5 Ų79.561%0.61440%0.399SS*.Hα-helixtrans-116.4-18-166.2-51.8-60.2000114.4S135 R141 P142S135-F139 WeakPolarHBondContact O-CB 3.37Å; S135-F139 PolarHBondContact O-N 2.9Å; F139-R141 PolarHBondContact O-N 3.07Å; F139-P142 WeakPolarHBondContact O-CD 3.36Å
140S76.8Confident82.3Confident70 Ų7078.1 Ų78.149%0.4939%0.393SS..SBendtrans-77.6-4.6-179.1-58.40000114.4S135 H136 P142S135-S140 PolarHBondContact O-N 2.79Å; H136-S140 WeakPolarHBondContact CA-OG 3.24Å; H136-S140 PolarHBondContact ND1-OG 3.14Å; H136-S140 VanDerWaalsContact O-CB 3.25Å; H136-S140 WeakPolarHBondContact O-CB 3.35Å; H136-S140 PolarHBondContact O-N 3.38Å; S140-P142 VanDerWaalsContact C-CD 3.41Å
141R71.3Confident81.8Confident89 Ų8978.9 Ų78.934%0.33640%0.399SS..  trans-12843.5-170.2-60.5178-178.3-160.35.3115F139 E143 Q144F139-R141 PolarHBondContact O-N 3.07Å; R141-E143 PolarHBondContact O-N 2.95Å; R141-Q144 HydrophobicContact CB-CB 4.27Å; R141-Q144 HydrophobicContact CB-CG 4.3Å; R141-Q144 HydrophobicContact CG-CG 4.48Å; R141-Q144 PolarHBondContact O-N 3.4Å
142P65.4Low81.4Confident119 Ų11976.9 Ų76.977%0.77339%0.385SS*.THydrogen-bonded Turntrans-63.5-30179.527.5-33.6000112.6F139 S140F139-P142 WeakPolarHBondContact O-CD 3.36Å; S140-P142 VanDerWaalsContact C-CD 3.41Å
143E69.3Low81Confident188 Ų18871.7 Ų71.788%0.87936%0.36SS*.THydrogen-bonded Turntrans-97.2-1.4-175.1-57.9-155169.600115R141R141-E143 PolarHBondContact O-N 2.95Å
144Q67Low80.8Confident102 Ų10271.9 Ų71.948%0.47736%0.363SS..  trans-85.3134.3-178.3-67.8-173.4-6.200111.4R141 F146R141-Q144 HydrophobicContact CB-CB 4.27Å; R141-Q144 HydrophobicContact CB-CG 4.3Å; R141-Q144 HydrophobicContact CG-CG 4.48Å; R141-Q144 PolarHBondContact O-N 3.4Å; Q144-F146 PolarHBondContact O-N 3.23Å; Q144-F146 VanDerWaalsContact O-N 3.13Å
145V70.8Confident80.6Confident135 Ų13576.3 Ų76.382%0.81838%0.384SS*.SBendtrans-56.7-26.9172.6-177.90000111.8
146F74.2Confident80.4Confident163 Ų16380.7 Ų80.772%0.71539%0.393SS*.SBendtrans-98.9116.1-176-58.7-74000112Q144Q144-F146 PolarHBondContact O-N 3.23Å; Q144-F146 VanDerWaalsContact O-N 3.13Å
147R76.6Confident80.2Confident162 Ų16283.5 Ų83.561%0.61141%0.411SS*.PPolyproline II helixtrans-79.5141172.5-63.1-173-179.6177.5-0.8111I152 E155R147-I152 HydrophobicContact CB-CD1 3.82Å; R147-I152 HydrophobicContact CB-CG1 3.64Å; R147-E155 IonicContact CZ-OE1 2.66Å; R147-E155 VanDerWaalsContact CZ-OE1 3.31Å; R147-E155 IonicContact CZ-OE2 3.31Å; R147-E155 IonicContact NE-OE1 3.61Å; R147-E155 IonicContact NE-OE2 3.95Å; R147-E155 IonicContact NH1-OE1 2.69Å; R147-E155 PolarHBondContact NH1-OE1 2.9Å; R147-E155 VanDerWaalsContact NH1-OE1 3.11Å; R147-E155 IonicContact NH1-OE2 3.94Å; R147-E155 PolarHBondContact NH1-OE2 2.91Å; R147-E155 IonicContact NH2-OE1 3.86Å
148T82.6Confident80.2Confident11 Ų1183.5 Ų83.57%0.06741%0.412CS..PPolyproline II helixtrans-77.1155.3174.769.60000110.5H137 L150 S151 I152H137-T148 HydrophobicContact CB-CG2 4.33Å; H137-T148 PolarHBondContact O-OG1 2.98Å; T148-L150 PolarHBondContact O-N 2.87Å; T148-S151 PolarHBondContact N-OG 2.8Å; T148-S151 PolarHBondContact O-N 2.79Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 2.92Å; T148-S151 WeakPolarHBondContact OG1-CB 3.34Å; T148-S151 PolarHBondContact OG1-N 3.25Å; T148-S151 VanDerWaalsContact OG1-N 3.15Å; T148-S151 PolarHBondContact OG1-OG 3.41Å; T148-S151 VanDerWaalsContact OG1-OG 3.13Å; T148-I152 PolarHBondContact O-N 3.33Å; T148-I152 VanDerWaalsContact O-N 3.09Å
149A81.1Confident80.3Confident19 Ų1982.9 Ų82.916%0.15741%0.408CS..Hα-helixtrans-56.7-38.4178.200000113.7Y27 P28 A153Y27-A149 HydrophobicContact CD1-CB 3.81Å; Y27-A149 HydrophobicContact CD2-CB 3.57Å; Y27-A149 HydrophobicContact CE1-CB 3.55Å; Y27-A149 HydrophobicContact CE2-CB 3.33Å; Y27-A149 HydrophobicContact CG-CB 3.83Å; Y27-A149 VanDerWaalsContact OH-CA 3.28Å; Y27-A149 WeakPolarHBondContact OH-CA 3.25Å; Y27-A149 PolarHBondContact OH-O 3.49Å; P28-A149 HydrophobicContact CG-CB 3.95Å; A149-A153 WeakPolarHBondContact O-CB 3.27Å; A149-A153 PolarHBondContact O-N 3.41Å
150L86.2Confident80.5Confident12 Ų1279.4 Ų79.46%0.06340%0.401CS..Hα-helixtrans-69.3-42.2178.8-161.3156.3000111.2F133 Y134 H137 L138 T148 I152 A153 V154 I159F133-L150 HydrophobicContact CD1-CD1 4.13Å; F133-L150 HydrophobicContact CE1-CD1 3.77Å; Y134-L150 HydrophobicContact CD1-CD1 4.18Å; Y134-L150 HydrophobicContact CD1-CD2 3.94Å; Y134-L150 HydrophobicContact CD2-CD1 3.95Å; Y134-L150 HydrophobicContact CE1-CD1 4.04Å; Y134-L150 HydrophobicContact CE1-CD2 4.07Å; Y134-L150 HydrophobicContact CE1-CG 4.43Å; Y134-L150 HydrophobicContact CE2-CD1 3.8Å; Y134-L150 HydrophobicContact CG-CD1 4.13Å; Y134-L150 HydrophobicContact CG-CD2 4.44Å; H137-L150 HydrophobicContact CB-CB 4.38Å; L138-L150 HydrophobicContact CD1-CD2 3.84Å; L138-L150 HydrophobicContact CD2-CD2 3.39Å; L138-L150 HydrophobicContact CG-CD2 3.54Å; T148-L150 PolarHBondContact O-N 2.87Å; L150-I152 PolarHBondContact O-N 3.14Å; L150-A153 PolarHBondContact O-N 2.99Å; L150-V154 HydrophobicContact CD2-CG2 4.18Å; L150-V154 WeakPolarHBondContact O-CG2 2.91Å; L150-V154 PolarHBondContact O-N 3.45Å; L150-I159 HydrophobicContact CD2-CD1 4.15Å; L150-I159 HydrophobicContact CG-CD1 3.95Å
151S85.7Confident81Confident17 Ų1778.5 Ų78.512%0.11939%0.394CS..Hα-helixtrans-61.4-43.9176.365.20000112.9T148 A153 V154 E155T148-S151 PolarHBondContact N-OG 2.8Å; T148-S151 PolarHBondContact O-N 2.79Å; T148-S151 VanDerWaalsContact O-N 3.13Å; T148-S151 PolarHBondContact O-OG 2.92Å; T148-S151 WeakPolarHBondContact OG1-CB 3.34Å; T148-S151 PolarHBondContact OG1-N 3.25Å; T148-S151 VanDerWaalsContact OG1-N 3.15Å; T148-S151 PolarHBondContact OG1-OG 3.41Å; T148-S151 VanDerWaalsContact OG1-OG 3.13Å; S151-A153 VanDerWaalsContact C-N 3.33Å; S151-A153 PolarHBondContact O-N 3.2Å; S151-V154 PolarHBondContact O-N 3.14Å; S151-E155 WeakPolarHBondContact O-CG 3.17Å; S151-E155 PolarHBondContact O-N 3.49Å
152I85.6Confident81.9Confident31 Ų3182.6 Ų82.616%0.15941%0.41CS..Hα-helixtrans-64.9-39.2176.9-65.5160.2000110.7Y27 R147 T148 L150 V154 E155 R156Y27-I152 HydrophobicContact CE2-CD1 3.95Å; Y27-I152 WeakPolarHBondContact OH-CB 3.44Å; Y27-I152 WeakPolarHBondContact OH-CG2 3.35Å; R147-I152 HydrophobicContact CB-CD1 3.82Å; R147-I152 HydrophobicContact CB-CG1 3.64Å; T148-I152 PolarHBondContact O-N 3.33Å; T148-I152 VanDerWaalsContact O-N 3.09Å; L150-I152 PolarHBondContact O-N 3.14Å; I152-V154 VanDerWaalsContact C-N 3.35Å; I152-E155 PolarHBondContact O-N 3.26Å; I152-R156 HydrophobicContact CG2-CG 4.46Å; I152-R156 WeakPolarHBondContact O-CB 3.34Å; I152-R156 VanDerWaalsContact O-CG 3.28Å; I152-R156 WeakPolarHBondContact O-CG 3.32Å; I152-R156 PolarHBondContact O-N 3.22Å
153A86.5Confident83Confident3 Ų378.9 Ų78.93%0.02539%0.386CS..Hα-helixtrans-64.9-38.2177.600000112.2A149 L150 S151 N157 M158 I159A149-A153 WeakPolarHBondContact O-CB 3.27Å; A149-A153 PolarHBondContact O-N 3.41Å; L150-A153 PolarHBondContact O-N 2.99Å; S151-A153 VanDerWaalsContact C-N 3.33Å; S151-A153 PolarHBondContact O-N 3.2Å; A153-N157 PolarHBondContact O-N 2.94Å; A153-M158 WeakPolarHBondContact O-CB 3.48Å; A153-M158 PolarHBondContact O-N 3.31Å; A153-I159 HydrophobicContact CB-CD1 3.75Å; A153-I159 HydrophobicContact CB-CG1 3.87Å
154V88.2Confident84Confident28 Ų2871.2 Ų71.217%0.1735%0.353CS..Hα-helixtrans-65.9-48.4173.2171.10000111L138 L150 S151 I152 R156 N157 I159 P161L138-V154 HydrophobicContact CD1-CG2 4.38Å; L138-V154 HydrophobicContact CD2-CB 4.3Å; L138-V154 HydrophobicContact CD2-CG2 3.89Å; L150-V154 HydrophobicContact CD2-CG2 4.18Å; L150-V154 WeakPolarHBondContact O-CG2 2.91Å; L150-V154 PolarHBondContact O-N 3.45Å; S151-V154 PolarHBondContact O-N 3.14Å; I152-V154 VanDerWaalsContact C-N 3.35Å; V154-R156 PolarHBondContact O-N 3.27Å; V154-N157 WeakPolarHBondContact O-CA 3.31Å; V154-N157 PolarHBondContact O-N 3.23Å; V154-I159 HydrophobicContact CG2-CD1 3.9Å; V154-I159 HydrophobicContact CG2-CG1 3.63Å; V154-P161 HydrophobicContact CG1-CB 3.9Å; V154-P161 HydrophobicContact CG2-CB 4.47Å
155E87.2Confident85Confident100 Ų10075 Ų7547%0.46736%0.364SS..Hα-helixtrans-57.5-36.3178-74.5175.8165.600112.5R147 S151 I152 N157R147-E155 IonicContact CZ-OE1 2.66Å; R147-E155 VanDerWaalsContact CZ-OE1 3.31Å; R147-E155 IonicContact CZ-OE2 3.31Å; R147-E155 IonicContact NE-OE1 3.61Å; R147-E155 IonicContact NE-OE2 3.95Å; R147-E155 IonicContact NH1-OE1 2.69Å; R147-E155 PolarHBondContact NH1-OE1 2.9Å; R147-E155 VanDerWaalsContact NH1-OE1 3.11Å; R147-E155 IonicContact NH1-OE2 3.94Å; R147-E155 PolarHBondContact NH1-OE2 2.91Å; R147-E155 IonicContact NH2-OE1 3.86Å; S151-E155 WeakPolarHBondContact O-CG 3.17Å; S151-E155 PolarHBondContact O-N 3.49Å; I152-E155 PolarHBondContact O-N 3.26Å; E155-N157 PolarHBondContact O-N 3.08Å
156R87.1Confident85.8Confident143 Ų14368.8 Ų68.854%0.5433%0.326SS..THydrogen-bonded Turntrans-818.7176.7-66.3-179.6-176.9-175.5-2.3113.6I152 V154 M158I152-R156 HydrophobicContact CG2-CG 4.46Å; I152-R156 WeakPolarHBondContact O-CB 3.34Å; I152-R156 VanDerWaalsContact O-CG 3.28Å; I152-R156 WeakPolarHBondContact O-CG 3.32Å; I152-R156 PolarHBondContact O-N 3.22Å; V154-R156 PolarHBondContact O-N 3.27Å; R156-M158 HydrophobicContact CB-CE 3.81Å; R156-M158 HydrophobicContact CB-CG 3.92Å; R156-M158 HydrophobicContact CB-SD 4.37Å; R156-M158 HydrophobicContact CG-CE 4.35Å; R156-M158 PolarHBondContact O-N 3.3Å
157N86.8Confident86Confident147 Ų14764.8 Ų64.879%0.78631%0.312SS*.THydrogen-bonded Turntrans52.433.5-177-62.5-53.4000113.3A153 V154 E155A153-N157 PolarHBondContact O-N 2.94Å; V154-N157 WeakPolarHBondContact O-CA 3.31Å; V154-N157 PolarHBondContact O-N 3.23Å; E155-N157 PolarHBondContact O-N 3.08Å
158M86.2Confident85.7Confident43 Ų4362.7 Ų62.721%0.21231%0.309CS..SBendtrans-86.2-30.3177.5-57.9-173.9-17900111.9K32 A77 A153 R156K32-M158 HydrophobicContact CB-CE 3.39Å; K32-M158 HydrophobicContact CB-SD 4.03Å; K32-M158 HydrophobicContact CD-CE 3.94Å; K32-M158 HydrophobicContact CD-CG 4.46Å; K32-M158 HydrophobicContact CG-CE 4.28Å; A77-M158 HydrophobicContact CB-CB 3.88Å; A153-M158 WeakPolarHBondContact O-CB 3.48Å; A153-M158 PolarHBondContact O-N 3.31Å; R156-M158 HydrophobicContact CB-CE 3.81Å; R156-M158 HydrophobicContact CB-CG 3.92Å; R156-M158 HydrophobicContact CB-SD 4.37Å; R156-M158 HydrophobicContact CG-CE 4.35Å; R156-M158 PolarHBondContact O-N 3.3Å
159I88.4Confident84.7Confident19 Ų1970.7 Ų70.710%0.09735%0.346CS..SBendtrans-135.5155.418061.8175.3000110.3A77 L150 A153 V154A77-I159 HydrophobicContact CB-CG2 3.47Å; A77-I159 VanDerWaalsContact CB-CG2 3.47Å; L150-I159 HydrophobicContact CD2-CD1 4.15Å; L150-I159 HydrophobicContact CG-CD1 3.95Å; A153-I159 HydrophobicContact CB-CD1 3.75Å; A153-I159 HydrophobicContact CB-CG1 3.87Å; V154-I159 HydrophobicContact CG2-CD1 3.9Å; V154-I159 HydrophobicContact CG2-CG1 3.63Å
160S88.4Confident83.2Confident66 Ų6672.6 Ų72.646%0.46236%0.358SS..  trans-64.2144.3168.81790000110.6Y162S160-Y162 PolarHBondContact O-N 2.6Å; S160-Y162 PolarHBondContact OG-N 3Å; S160-Y162 VanDerWaalsContact OG-N 3.17Å
161P87Confident83.1Confident52 Ų5275.6 Ų75.634%0.33837%0.373SS..SBendtrans-65.5-17.4169.827.8-34.7000112.6L138 V154L138-P161 HydrophobicContact CD1-CB 4.36Å; L138-P161 WeakPolarHBondContact CD1-O 3.49Å; V154-P161 HydrophobicContact CG1-CB 3.9Å; V154-P161 HydrophobicContact CG2-CB 4.47Å
162Y89.5Confident82.9Confident175 Ų17578.7 Ų78.769%0.68639%0.386SS*.SBendtrans-89.7141.5179.1-55.7-72000111.2S160S160-Y162 PolarHBondContact O-N 2.6Å; S160-Y162 PolarHBondContact OG-N 3Å; S160-Y162 VanDerWaalsContact OG-N 3.17Å
163P88.2Confident82.8Confident40 Ų4081.3 Ų81.326%0.2640%0.399SS..PPolyproline II helixtrans-62.1148.2175.827.5-35.3000110.9L130 V131 Y134L130-P163 HydrophobicContact CB-CB 4.03Å; V131-P163 HydrophobicContact CB-CG 4.41Å; V131-P163 HydrophobicContact CG2-CG 3.7Å; Y134-P163 HydrophobicContact CD1-CB 4.2Å; Y134-P163 HydrophobicContact CD2-CB 4.01Å; Y134-P163 HydrophobicContact CE2-CB 4.34Å; Y134-P163 HydrophobicContact CG-CB 3.94Å
164P89.8Confident82.6Confident27 Ų2785.9 Ų85.918%0.17542%0.421CS..PPolyproline II helixtrans-66.6141.9-179.728-34.8000111.3H73 L80 L130H73-P164 WeakPolarHBondContact NE2-CB 3.36Å; L80-P164 HydrophobicContact CD2-CG 3.61Å; L130-P164 HydrophobicContact CD1-CG 4.14Å
165Y89.8Confident82.2Confident182 Ų18289.6 Ų89.671%0.71444%0.436SS*.PPolyproline II helixtrans-82.4120.3173.9-169.7-108000110.1Q127 N167Q127-Y165 VanDerWaalsContact NE2-CE2 3.34Å; Y165-N167 WeakPolarHBondContact CD1-OD1 3.18Å; Y165-N167 WeakPolarHBondContact CE1-OD1 3.41Å
166I86.7Confident81.9Confident5 Ų588.9 Ų88.93%0.02643%0.434CS..PPolyproline II helixtrans-90.7118-178-53174.5000109.5I72 I82 V123 C126 Q127 L130I72-I166 HydrophobicContact CG2-CG2 3.52Å; I82-I166 HydrophobicContact CD1-CD1 3.52Å; I82-I166 HydrophobicContact CD1-CG1 3.85Å; V123-I166 HydrophobicContact CG1-CB 3.85Å; V123-I166 HydrophobicContact CG1-CG2 3.86Å; V123-I166 VanDerWaalsContact CG1-O 3.31Å; V123-I166 WeakPolarHBondContact CG1-O 3.18Å; C126-I166 HydrophobicContact CB-CD1 3.89Å; C126-I166 WeakPolarHBondContact SG-CD1 3.35Å; Q127-I166 HydrophobicContact CG-CB 4.1Å; Q127-I166 HydrophobicContact CG-CD1 4.03Å; Q127-I166 HydrophobicContact CG-CG1 4.1Å; Q127-I166 PolarHBondContact NE2-O 3.37Å; L130-I166 HydrophobicContact CD1-CD1 3.75Å; L130-I166 HydrophobicContact CD1-CG1 4.19Å
167N79.4Confident81.5Confident79 Ų7985 Ų8542%0.42243%0.427SS..PPolyproline II helixtrans-94.8151.1171.2-69.5-12000111.1Y165 S170Y165-N167 WeakPolarHBondContact CD1-OD1 3.18Å; Y165-N167 WeakPolarHBondContact CE1-OD1 3.41Å; N167-S170 PolarHBondContact O-OG 3.03Å
168E69Low81.1Confident118 Ų11880.2 Ų80.255%0.55140%0.399SS*.SBendtrans-79.2-23.1174.1-74.7-168.3-179.100113.3V123V123-E168 HydrophobicContact CG2-CG 3.53Å
169E61.7Low80.7Confident178 Ų17883.3 Ų83.383%0.83242%0.415SS*.  trans-85.5-24.9-171.9-64.7-179.7171.700113R70R70-E169 PolarHBondContact NH1-O 2.78Å; R70-E169 PolarHBondContact NH2-O 3.03Å
170S50.5Low80Confident59 Ų5989.2 Ų89.241%0.41344%0.443SS..  trans-76.50177.853.60000114.5R70 N167R70-S170 VanDerWaalsContact NE-C 3.32Å; R70-S170 PolarHBondContact NE-O 3.2Å; R70-S170 PolarHBondContact NE-OXT 3.12Å; R70-S170 PolarHBondContact NH1-O 2.98Å; R70-S170 PolarHBondContact NH2-O 3.44Å; R70-S170 PolarHBondContact NH2-OXT 3.44Å; N167-S170 PolarHBondContact O-OG 3.03Å

Retrieved 170 of 170 residues in 70.2 ms (Link to these results)

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