A0A087YDV9_POEFO Loading...

Ubiquitin-like protein 7

Interferon-stimulated protein that positively regulates RNA virus-triggered innate immune signaling. Mechanistically, promotes 'Lys-27'-linked polyubiquitination of MAVS through TRIM21 leading to enhanced the IFN signaling pathway.

AlphaFold DB , UniProt , Accession A0A087YDV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 379 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M30.1Very low62.6Low238 Ų23883.5 Ų83.5100%1.17247%0.465SS*.  0113.30-77.1-160.8164.300107.3
2T35.9Very low63.7Low132 Ų13277.8 Ų77.881%0.8143%0.433SS*.  trans40.178.1162.368.50000116.8S4T2-S4 PolarHBondContact O-N 3Å
3S41.2Very low63.7Low101 Ų10181 Ų8171%0.70646%0.456SS*.  trans-54.4112.3154.6-49.70000106.6D5S3-D5 VanDerWaalsContact C-N 3.35Å; S3-D5 PolarHBondContact O-N 3.03Å
4S48.3Very low63.5Low110 Ų11085.9 Ų85.977%0.76948%0.481SS*.  trans-63.1102174.1-65.10000107.2T2 W6T2-S4 PolarHBondContact O-N 3Å; S4-W6 PolarHBondContact O-N 2.91Å
5D63.7Low63.5Low123 Ų12385.7 Ų85.766%0.65847%0.474SS*.  trans-6381.4176.8-98.4-49000109.4S3 H7S3-D5 VanDerWaalsContact C-N 3.35Å; S3-D5 PolarHBondContact O-N 3.03Å; D5-H7 PolarHBondContact O-N 3.05Å; D5-H7 VanDerWaalsContact O-N 3.16Å; D5-H7 PolarHBondContact O-ND1 3.32Å
6W73.1Confident63.6Low32 Ų3287 Ų8712%0.12149%0.488CS..  trans-74.8107.9176.8-150.683.3000107.7S4 L8 F22 P32 L73 V78 P80S4-W6 PolarHBondContact O-N 2.91Å; W6-L8 HydrophobicContact CH2-CD1 3.91Å; W6-L8 HydrophobicContact CH2-CD2 4.26Å; W6-L8 HydrophobicContact CH2-CG 4.27Å; W6-L8 HydrophobicContact CZ2-CD2 4.38Å; W6-L8 HydrophobicContact CZ3-CD1 3.92Å; W6-L8 HydrophobicContact CZ3-CG 4.3Å; W6-F22 HydrophobicContact CD2-CD2 4.18Å; W6-F22 HydrophobicContact CD2-CE2 4.22Å; W6-F22 AromaticContact CE3-CD1 3.94Å; W6-F22 HydrophobicContact CE3-CD1 3.94Å; W6-F22 AromaticContact CE3-CD2 3.09Å; W6-F22 HydrophobicContact CE3-CD2 3.09Å; W6-F22 AromaticContact CE3-CE1 3.9Å; W6-F22 HydrophobicContact CE3-CE1 3.9Å; W6-F22 AromaticContact CE3-CE2 3.02Å; W6-F22 HydrophobicContact CE3-CE2 3.02Å; W6-F22 AromaticContact CE3-CG 3.57Å; W6-F22 HydrophobicContact CE3-CG 3.57Å; W6-F22 AromaticContact CE3-CZ 3.48Å; W6-F22 HydrophobicContact CE3-CZ 3.48Å; W6-F22 VanDerWaalsContact CE3-CZ 3.48Å; W6-F22 HydrophobicContact CH2-CE2 4.17Å; W6-F22 HydrophobicContact CH2-CZ 4.03Å; W6-F22 AromaticContact CZ3-CD1 3.97Å; W6-F22 HydrophobicContact CZ3-CD1 3.97Å; W6-F22 AromaticContact CZ3-CD2 3.62Å; W6-F22 HydrophobicContact CZ3-CD2 3.62Å; W6-F22 AromaticContact CZ3-CE1 3.46Å; W6-F22 HydrophobicContact CZ3-CE1 3.46Å; W6-F22 VanDerWaalsContact CZ3-CE1 3.46Å; W6-F22 AromaticContact CZ3-CE2 3.05Å; W6-F22 HydrophobicContact CZ3-CE2 3.05Å; W6-F22 HydrophobicContact CZ3-CG 4.05Å; W6-F22 AromaticContact CZ3-CZ 2.98Å; W6-F22 HydrophobicContact CZ3-CZ 2.98Å; W6-F22 WeakPolarHBondContact O-CD2 3.31Å; W6-F22 PolarHBondContact O-N 3.26Å; W6-P32 HydrophobicContact CB-CB 4.08Å; W6-P32 HydrophobicContact CB-CG 3.75Å; W6-P32 HydrophobicContact CD2-CB 3.21Å; W6-P32 HydrophobicContact CD2-CG 3.76Å; W6-P32 HydrophobicContact CE3-CB 3.04Å; W6-P32 HydrophobicContact CE3-CG 4.03Å; W6-P32 HydrophobicContact CG-CB 3.55Å; W6-P32 HydrophobicContact CG-CG 3.49Å; W6-P32 VanDerWaalsContact CG-CG 3.49Å; W6-P32 HydrophobicContact CH2-CB 4.13Å; W6-P32 HydrophobicContact CZ2-CB 4.25Å; W6-P32 HydrophobicContact CZ3-CB 3.46Å; W6-P32 VanDerWaalsContact CZ3-CB 3.46Å; W6-L73 HydrophobicContact CH2-CB 4.4Å; W6-L73 HydrophobicContact CH2-CD1 3.63Å; W6-L73 HydrophobicContact CZ3-CD1 3.91Å; W6-V78 HydrophobicContact CH2-CG1 4.3Å; W6-V78 HydrophobicContact CZ2-CG1 4.45Å; W6-P80 VanDerWaalsContact CD1-CB 3.47Å; W6-P80 HydrophobicContact CG-CB 4.27Å; W6-P80 VanDerWaalsContact NE1-CD 3.32Å
7H77.8Confident64.1Low68 Ų6890.3 Ų90.332%0.31550%0.496SS..EExtended strand (participates in β ladder)trans-127.7149.7-178.664.8-76000109.6D5 T19 F20 G81D5-H7 PolarHBondContact O-N 3.05Å; D5-H7 VanDerWaalsContact O-N 3.16Å; D5-H7 PolarHBondContact O-ND1 3.32Å; H7-T19 HydrophobicContact CB-CG2 3.93Å; H7-F20 CarbonylContact C-O 3.56Å; H7-F20 WeakPolarHBondContact CA-O 3.4Å; H7-G81 WeakPolarHBondContact O-CA 3.34Å; H7-G81 PolarHBondContact O-N 2.85Å
8L79.9Confident64.7Low0 Ų087.7 Ų87.70%049%0.485CS..EExtended strand (participates in β ladder)trans-125.6143.2174.7-67.8172.5000109.1W6 T19 F20 F22 L40 V78 L84W6-L8 HydrophobicContact CH2-CD1 3.91Å; W6-L8 HydrophobicContact CH2-CD2 4.26Å; W6-L8 HydrophobicContact CH2-CG 4.27Å; W6-L8 HydrophobicContact CZ2-CD2 4.38Å; W6-L8 HydrophobicContact CZ3-CD1 3.92Å; W6-L8 HydrophobicContact CZ3-CG 4.3Å; L8-T19 CarbonylContact O-C 3.57Å; L8-F20 HydrophobicContact CB-CB 4.5Å; L8-F20 PolarHBondContact N-O 3.35Å; L8-F20 PolarHBondContact O-N 3.49Å; L8-F22 HydrophobicContact CB-CE2 4.43Å; L8-F22 HydrophobicContact CD1-CE2 3.45Å; L8-F22 VanDerWaalsContact CD1-CE2 3.45Å; L8-F22 HydrophobicContact CD1-CZ 3.46Å; L8-F22 VanDerWaalsContact CD1-CZ 3.46Å; L8-F22 HydrophobicContact CG-CE2 3.75Å; L8-F22 HydrophobicContact CG-CZ 4.28Å; L8-L40 HydrophobicContact CD1-CD1 4.41Å; L8-L40 HydrophobicContact CD1-CD2 4.23Å; L8-V78 HydrophobicContact CD1-CG1 4.24Å; L8-V78 HydrophobicContact CD2-CG1 3.6Å; L8-L84 HydrophobicContact CD1-CD1 3.73Å
9S80.3Confident65.3Low26 Ų2687.3 Ų87.318%0.18249%0.486CS..EExtended strand (participates in β ladder)trans-89.7113.3172.6-67.50000109.1S18 S82 T83 L84S9-S18 CarbonylContact C-O 2.97Å; S9-S82 PolarHBondContact N-O 2.81Å; S9-T83 CarbonylContact O-C 3.09Å; S9-T83 WeakPolarHBondContact O-CA 3.41Å; S9-T83 WeakPolarHBondContact O-CG2 3.44Å; S9-L84 PolarHBondContact O-N 2.76Å
10L80Confident65.8Low4 Ų483.3 Ų83.32%0.02146%0.463CS..EExtended strand (participates in β ladder)trans-89.4126.3173.7-58178.4000109.3K17 S18 F20 V44 L48 L84 I86L10-K17 WeakPolarHBondContact O-CA 3.29Å; L10-S18 PolarHBondContact N-O 3.39Å; L10-S18 PolarHBondContact O-N 3.05Å; L10-F20 HydrophobicContact CD1-CB 3.56Å; L10-F20 HydrophobicContact CD1-CD2 3.9Å; L10-F20 HydrophobicContact CD1-CG 4Å; L10-F20 HydrophobicContact CD2-CB 4.38Å; L10-F20 HydrophobicContact CG-CB 3.71Å; L10-F20 HydrophobicContact CG-CG 4.49Å; L10-V44 HydrophobicContact CD1-CG1 4.02Å; L10-V44 HydrophobicContact CD1-CG2 3.98Å; L10-V44 HydrophobicContact CD2-CG2 4.3Å; L10-L48 HydrophobicContact CD1-CD1 3.63Å; L10-L84 CarbonylContact C-O 3.6Å; L10-L84 WeakPolarHBondContact CA-O 3.4Å; L10-L84 HydrophobicContact CD2-CB 3.97Å; L10-L84 HydrophobicContact CD2-CD1 4.33Å; L10-I86 HydrophobicContact CB-CD1 3.92Å; L10-I86 HydrophobicContact CD1-CD1 4.01Å; L10-I86 HydrophobicContact CD2-CD1 4.11Å; L10-I86 HydrophobicContact CD2-CG1 4.48Å; L10-I86 HydrophobicContact CG-CD1 4.22Å
11K78.5Confident66.2Low84 Ų8483.8 Ų83.837%0.36546%0.461SS..EExtended strand (participates in β ladder)trans-115.1108.9172.7-171.8173.9176.1-177.10109.2K17 T83 L84 H85 I86K11-K17 HydrophobicContact CD-CG 4.43Å; K11-K17 HydrophobicContact CG-CG 4.42Å; K11-T83 HydrophobicContact CB-CG2 4.25Å; K11-L84 PolarHBondContact N-O 3.03Å; K11-H85 WeakPolarHBondContact O-CA 3.45Å; K11-I86 PolarHBondContact O-N 3.27Å
12L75Confident68.1Low15 Ų1573.8 Ų73.88%0.07941%0.411CS..EExtended strand (participates in β ladder)trans-76.4150.3166-130.879000109D14 Q15 V52 I86L12-D14 PolarHBondContact O-N 2.77Å; L12-Q15 HydrophobicContact CB-CB 3.89Å; L12-Q15 HydrophobicContact CD2-CB 4.45Å; L12-Q15 HydrophobicContact CD2-CG 4.33Å; L12-V52 HydrophobicContact CD1-CG2 4.46Å; L12-I86 HydrophobicContact CD1-CB 3.65Å; L12-I86 HydrophobicContact CD1-CD1 3.88Å; L12-I86 HydrophobicContact CD1-CG1 4.36Å; L12-I86 HydrophobicContact CD1-CG2 3.78Å
13V64.9Low69.6Low120 Ų12070.9 Ų70.973%0.72740%0.395SS*.THydrogen-bonded Turntrans-58.2-32.3176.1173.10000111.8L87V13-L87 HydrophobicContact CG2-CD2 3.69Å
14D60.1Low70.4Confident150 Ų15074 Ų7480%0.80240%0.399SS*.THydrogen-bonded Turntrans-112.74.7-169.9-159.741.9000114L12L12-D14 PolarHBondContact O-N 2.77Å
15Q63.3Low70.6Confident82 Ų8274.3 Ų74.338%0.38339%0.389SS..SBendtrans-135155.6-176.4-75.6-173.713.600112.8L12 S51L12-Q15 HydrophobicContact CB-CB 3.89Å; L12-Q15 HydrophobicContact CD2-CB 4.45Å; L12-Q15 HydrophobicContact CD2-CG 4.33Å; Q15-S51 VanDerWaalsContact CD-OG 3.3Å; Q15-S51 PolarHBondContact NE2-OG 3.14Å; Q15-S51 PolarHBondContact OE1-OG 2.96Å
16P65.1Low69.8Low107 Ų10774.7 Ų74.770%0.69539%0.388SS*.  trans-59161.1172.426.4-35.1000111.5S18P16-S18 PolarHBondContact O-N 2.72Å
17K72.3Confident68.2Low143 Ų14379.6 Ų79.662%0.62243%0.425SS*.  trans-61.7124.4178.4-59.6179.1-179.1-178.90109.4L10 K11L10-K17 WeakPolarHBondContact O-CA 3.29Å; K11-K17 HydrophobicContact CD-CG 4.43Å; K11-K17 HydrophobicContact CG-CG 4.42Å
18S75.4Confident66.9Low43 Ų4380.3 Ų80.330%0.30145%0.45SS..EExtended strand (participates in β ladder)trans-107.6139.8175.1-64.10000109.9S9 L10 P16S9-S18 CarbonylContact C-O 2.97Å; L10-S18 PolarHBondContact N-O 3.39Å; L10-S18 PolarHBondContact O-N 3.05Å; P16-S18 PolarHBondContact O-N 2.72Å
19T76.8Confident66Low81 Ų8184.1 Ų84.150%0.49747%0.47SS..EExtended strand (participates in β ladder)trans-90.8123.3175.8-49.50000109.4H7 L8H7-T19 HydrophobicContact CB-CG2 3.93Å; L8-T19 CarbonylContact O-C 3.57Å
20F75.3Confident65.1Low6 Ų686.6 Ų86.63%0.02648%0.484CS..EExtended strand (participates in β ladder)trans-96.9123.2174.3179.1-88.8000109.7H7 L8 L10 F22 L40 L43 V44 Q47H7-F20 CarbonylContact C-O 3.56Å; H7-F20 WeakPolarHBondContact CA-O 3.4Å; L8-F20 HydrophobicContact CB-CB 4.5Å; L8-F20 PolarHBondContact N-O 3.35Å; L8-F20 PolarHBondContact O-N 3.49Å; L10-F20 HydrophobicContact CD1-CB 3.56Å; L10-F20 HydrophobicContact CD1-CD2 3.9Å; L10-F20 HydrophobicContact CD1-CG 4Å; L10-F20 HydrophobicContact CD2-CB 4.38Å; L10-F20 HydrophobicContact CG-CB 3.71Å; L10-F20 HydrophobicContact CG-CG 4.49Å; F20-F22 AromaticContact CD1-CD2 3.75Å; F20-F22 HydrophobicContact CD1-CD2 3.75Å; F20-F22 AromaticContact CD1-CE2 3.36Å; F20-F22 HydrophobicContact CD1-CE2 3.36Å; F20-F22 HydrophobicContact CD1-CG 4.48Å; F20-F22 AromaticContact CD1-CZ 3.78Å; F20-F22 HydrophobicContact CD1-CZ 3.78Å; F20-F22 AromaticContact CE1-CD1 3.93Å; F20-F22 HydrophobicContact CE1-CD1 3.93Å; F20-F22 AromaticContact CE1-CD2 3.56Å; F20-F22 HydrophobicContact CE1-CD2 3.56Å; F20-F22 AromaticContact CE1-CE1 3.72Å; F20-F22 HydrophobicContact CE1-CE1 3.72Å; F20-F22 AromaticContact CE1-CE2 3.34Å; F20-F22 HydrophobicContact CE1-CE2 3.34Å; F20-F22 AromaticContact CE1-CG 3.85Å; F20-F22 HydrophobicContact CE1-CG 3.85Å; F20-F22 AromaticContact CE1-CZ 3.39Å; F20-F22 HydrophobicContact CE1-CZ 3.39Å; F20-L40 HydrophobicContact CD1-CD1 4.49Å; F20-L40 HydrophobicContact CE1-CD1 4Å; F20-L40 HydrophobicContact CZ-CD1 4.33Å; F20-L43 HydrophobicContact CE2-CB 4.2Å; F20-L43 HydrophobicContact CZ-CB 3.71Å; F20-V44 HydrophobicContact CD2-CG2 4.21Å; F20-V44 HydrophobicContact CE2-CG2 4.13Å; F20-Q47 HydrophobicContact CD2-CB 4.3Å; F20-Q47 HydrophobicContact CD2-CG 4.41Å; F20-Q47 HydrophobicContact CE2-CB 4.03Å; F20-Q47 HydrophobicContact CE2-CG 3.81Å
21H74.1Confident64.5Low94 Ų9490.3 Ų90.344%0.43551%0.509SS..EExtended strand (participates in β ladder)trans-103.7136.4173.3-66.8-89.5000109.3
22F69.5Low63.9Low28 Ų2887.3 Ų87.312%0.12350%0.498CS..PPolyproline II helixtrans-75.9144.4175.7-75.1-102.7000109.8W6 L8 F20 Y35 L40 L73W6-F22 HydrophobicContact CD2-CD2 4.18Å; W6-F22 HydrophobicContact CD2-CE2 4.22Å; W6-F22 AromaticContact CE3-CD1 3.94Å; W6-F22 HydrophobicContact CE3-CD1 3.94Å; W6-F22 AromaticContact CE3-CD2 3.09Å; W6-F22 HydrophobicContact CE3-CD2 3.09Å; W6-F22 AromaticContact CE3-CE1 3.9Å; W6-F22 HydrophobicContact CE3-CE1 3.9Å; W6-F22 AromaticContact CE3-CE2 3.02Å; W6-F22 HydrophobicContact CE3-CE2 3.02Å; W6-F22 AromaticContact CE3-CG 3.57Å; W6-F22 HydrophobicContact CE3-CG 3.57Å; W6-F22 AromaticContact CE3-CZ 3.48Å; W6-F22 HydrophobicContact CE3-CZ 3.48Å; W6-F22 VanDerWaalsContact CE3-CZ 3.48Å; W6-F22 HydrophobicContact CH2-CE2 4.17Å; W6-F22 HydrophobicContact CH2-CZ 4.03Å; W6-F22 AromaticContact CZ3-CD1 3.97Å; W6-F22 HydrophobicContact CZ3-CD1 3.97Å; W6-F22 AromaticContact CZ3-CD2 3.62Å; W6-F22 HydrophobicContact CZ3-CD2 3.62Å; W6-F22 AromaticContact CZ3-CE1 3.46Å; W6-F22 HydrophobicContact CZ3-CE1 3.46Å; W6-F22 VanDerWaalsContact CZ3-CE1 3.46Å; W6-F22 AromaticContact CZ3-CE2 3.05Å; W6-F22 HydrophobicContact CZ3-CE2 3.05Å; W6-F22 HydrophobicContact CZ3-CG 4.05Å; W6-F22 AromaticContact CZ3-CZ 2.98Å; W6-F22 HydrophobicContact CZ3-CZ 2.98Å; W6-F22 WeakPolarHBondContact O-CD2 3.31Å; W6-F22 PolarHBondContact O-N 3.26Å; L8-F22 HydrophobicContact CB-CE2 4.43Å; L8-F22 HydrophobicContact CD1-CE2 3.45Å; L8-F22 VanDerWaalsContact CD1-CE2 3.45Å; L8-F22 HydrophobicContact CD1-CZ 3.46Å; L8-F22 VanDerWaalsContact CD1-CZ 3.46Å; L8-F22 HydrophobicContact CG-CE2 3.75Å; L8-F22 HydrophobicContact CG-CZ 4.28Å; F20-F22 AromaticContact CD1-CD2 3.75Å; F20-F22 HydrophobicContact CD1-CD2 3.75Å; F20-F22 AromaticContact CD1-CE2 3.36Å; F20-F22 HydrophobicContact CD1-CE2 3.36Å; F20-F22 HydrophobicContact CD1-CG 4.48Å; F20-F22 AromaticContact CD1-CZ 3.78Å; F20-F22 HydrophobicContact CD1-CZ 3.78Å; F20-F22 AromaticContact CE1-CD1 3.93Å; F20-F22 HydrophobicContact CE1-CD1 3.93Å; F20-F22 AromaticContact CE1-CD2 3.56Å; F20-F22 HydrophobicContact CE1-CD2 3.56Å; F20-F22 AromaticContact CE1-CE1 3.72Å; F20-F22 HydrophobicContact CE1-CE1 3.72Å; F20-F22 AromaticContact CE1-CE2 3.34Å; F20-F22 HydrophobicContact CE1-CE2 3.34Å; F20-F22 AromaticContact CE1-CG 3.85Å; F20-F22 HydrophobicContact CE1-CG 3.85Å; F20-F22 AromaticContact CE1-CZ 3.39Å; F20-F22 HydrophobicContact CE1-CZ 3.39Å; F22-Y35 AromaticContact CD1-CD2 4Å; F22-Y35 HydrophobicContact CD1-CD2 4Å; F22-Y35 HydrophobicContact CD1-CE2 4.01Å; F22-Y35 HydrophobicContact CE1-CD2 4.02Å; F22-Y35 HydrophobicContact CE1-CE2 4.49Å; F22-L40 HydrophobicContact CE1-CD1 3.74Å; F22-L40 HydrophobicContact CZ-CD1 3.42Å; F22-L40 VanDerWaalsContact CZ-CD1 3.42Å; F22-L73 HydrophobicContact CE1-CD1 4.48Å; F22-L73 HydrophobicContact CZ-CD1 4.36Å
23P67.2Low63.5Low72 Ų7287 Ų8747%0.46850%0.498SS..PPolyproline II helixtrans-57.2144.3174.222.6-30.6000110.5M25 L43P23-M25 PolarHBondContact O-N 2.89Å; P23-L43 HydrophobicContact CG-CD2 4.41Å
24E57.8Low63.8Low167 Ų16782.4 Ų82.478%0.7848%0.475SS*.PPolyproline II helixtrans-57.7122.4-175.7-164.6170.5-166.500110.3M26E24-M26 PolarHBondContact O-N 3.2Å
25M53.1Low64.7Low116 Ų11677 Ų7757%0.57144%0.443SS*.PPolyproline II helixtrans-64.5124.9-174-65-171.6-5100110.8P23P23-M25 PolarHBondContact O-N 2.89Å
26M46.4Very low65.7Low130 Ų13079.6 Ų79.664%0.6445%0.45SS*.PPolyproline II helixtrans-78.7149.1165.5-72.9-78144.700109.3E24 G28 D29E24-M26 PolarHBondContact O-N 3.2Å; M26-G28 PolarHBondContact O-N 3Å; M26-D29 PolarHBondContact N-OD2 3.09Å; M26-D29 PolarHBondContact O-N 3.5Å
27P38.8Very low66.5Low136 Ų13674.5 Ų74.588%0.88342%0.417SS*.THydrogen-bonded Turntrans-63.9104179.724-31.3000110.3
28G51.4Low66.9Low82 Ų8269.8 Ų69.885%0.84540%0.404SS*.THydrogen-bonded Turntrans130.5-12.3-173.700000114M26M26-G28 PolarHBondContact O-N 3Å
29D60Low67.2Low80 Ų8070.2 Ų70.243%0.42841%0.406SS..PPolyproline II helixtrans-72.9149.1178.5-82.3-35.9000113.1M26M26-D29 PolarHBondContact N-OD2 3.09Å; M26-D29 PolarHBondContact O-N 3.5Å
30V62.3Low67.4Low79 Ų7966.4 Ų66.448%0.47938%0.382SS..PPolyproline II helixtrans-62.4132.7175.8-174.50000108.3
31P67.6Low67.7Low82 Ų8266.7 Ų66.753%0.53238%0.383SS..PPolyproline II helixtrans-57.7150.5176.825.1-35000109.9G33 G34P31-G33 PolarHBondContact O-N 3.3Å; P31-G34 WeakPolarHBondContact O-CA 3.45Å; P31-G34 PolarHBondContact O-N 3.05Å
32P66.2Low68Low21 Ų2168.4 Ų68.414%0.13639%0.391CS..G310 helixtrans-56-31.9-1713.2-17.2000115.8W6 G34 Y35W6-P32 HydrophobicContact CB-CB 4.08Å; W6-P32 HydrophobicContact CB-CG 3.75Å; W6-P32 HydrophobicContact CD2-CB 3.21Å; W6-P32 HydrophobicContact CD2-CG 3.76Å; W6-P32 HydrophobicContact CE3-CB 3.04Å; W6-P32 HydrophobicContact CE3-CG 4.03Å; W6-P32 HydrophobicContact CG-CB 3.55Å; W6-P32 HydrophobicContact CG-CG 3.49Å; W6-P32 VanDerWaalsContact CG-CG 3.49Å; W6-P32 HydrophobicContact CH2-CB 4.13Å; W6-P32 HydrophobicContact CZ2-CB 4.25Å; W6-P32 HydrophobicContact CZ3-CB 3.46Å; W6-P32 VanDerWaalsContact CZ3-CB 3.46Å; P32-G34 PolarHBondContact O-N 3.36Å; P32-Y35 HydrophobicContact CB-CD2 4.38Å; P32-Y35 HydrophobicContact CB-CE2 4.45Å; P32-Y35 WeakPolarHBondContact O-CD2 3.31Å; P32-Y35 PolarHBondContact O-N 3.25Å
33G65.1Low68.4Low8 Ų869.1 Ų69.18%0.08240%0.396CS..G310 helixtrans-68.1-21.6173.900000114.1P31 L73 D74P31-G33 PolarHBondContact O-N 3.3Å; G33-L73 PolarHBondContact O-N 2.59Å; G33-D74 VanDerWaalsContact C-OD2 3.29Å; G33-D74 VanDerWaalsContact CA-OD2 3.31Å; G33-D74 WeakPolarHBondContact CA-OD2 3.38Å; G33-D74 WeakPolarHBondContact O-CB 3.43Å; G33-D74 PolarHBondContact O-N 3.4Å
34G72.4Confident69Low24 Ų2465.7 Ų65.725%0.24737%0.374CS..G310 helixtrans-84.7-6.3176.500000114.7P31 P32 R36P31-G34 WeakPolarHBondContact O-CA 3.45Å; P31-G34 PolarHBondContact O-N 3.05Å; P32-G34 PolarHBondContact O-N 3.36Å; G34-R36 PolarHBondContact O-N 3.12Å
35Y78Confident69.8Low35 Ų3558.3 Ų58.314%0.13734%0.342CS..  trans-61.3140.3173.4-78-69.4000110.4F22 P32 T39 T72 L73F22-Y35 AromaticContact CD1-CD2 4Å; F22-Y35 HydrophobicContact CD1-CD2 4Å; F22-Y35 HydrophobicContact CD1-CE2 4.01Å; F22-Y35 HydrophobicContact CE1-CD2 4.02Å; F22-Y35 HydrophobicContact CE1-CE2 4.49Å; P32-Y35 HydrophobicContact CB-CD2 4.38Å; P32-Y35 HydrophobicContact CB-CE2 4.45Å; P32-Y35 WeakPolarHBondContact O-CD2 3.31Å; P32-Y35 PolarHBondContact O-N 3.25Å; Y35-T39 HydrophobicContact CD1-CG2 3.78Å; Y35-T39 HydrophobicContact CE1-CG2 4.2Å; Y35-T72 CarbonylContact O-C 3.59Å; Y35-T72 VanDerWaalsContact O-CA 3.31Å; Y35-T72 WeakPolarHBondContact O-CA 2.84Å; Y35-L73 WeakPolarHBondContact O-CG 3.25Å; Y35-L73 PolarHBondContact O-N 2.83Å
36R83.9Confident70.8Confident137 Ų13756.3 Ų56.352%0.51734%0.344SS..BIsolated β-bridgetrans-74.7150.8168.9-67.9-179.4-178.5-121.72109.6G34 A38 T39 L40 L71G34-R36 PolarHBondContact O-N 3.12Å; R36-A38 PolarHBondContact O-N 2.93Å; R36-T39 PolarHBondContact O-N 3.04Å; R36-T39 VanDerWaalsContact O-N 3.09Å; R36-L40 PolarHBondContact O-N 3.09Å; R36-L71 WeakPolarHBondContact CA-O 3.23Å
37V83.4Confident71.9Confident0 Ų055.9 Ų55.90%034%0.34CS..Hα-helixtrans-58-34.7174.7173.80000110.9T39 L40 K41 L60 L67 K68 L71 L73V37-T39 PolarHBondContact O-N 2.82Å; V37-L40 WeakPolarHBondContact O-CB 3.47Å; V37-L40 PolarHBondContact O-N 3.36Å; V37-K41 WeakPolarHBondContact O-CG 3.47Å; V37-K41 PolarHBondContact O-N 2.9Å; V37-L60 HydrophobicContact CG1-CD1 3.96Å; V37-L67 HydrophobicContact CB-CB 4.4Å; V37-L67 HydrophobicContact CG1-CB 3.66Å; V37-L67 HydrophobicContact CG2-CB 3.82Å; V37-L67 HydrophobicContact CG2-CD1 4.2Å; V37-K68 VanDerWaalsContact CB-O 3.29Å; V37-K68 WeakPolarHBondContact CB-O 3.43Å; V37-K68 WeakPolarHBondContact CG2-O 3.22Å; V37-L71 WeakPolarHBondContact CG2-O 3.32Å; V37-L71 PolarHBondContact N-O 3Å; V37-L73 HydrophobicContact CG2-CD2 4.15Å
38A80.9Confident73.3Confident44 Ų4451 Ų5136%0.36431%0.307SS..Hα-helixtrans-57.9-47.5173.600000113R36 L40 K41 Q42 D69R36-A38 PolarHBondContact O-N 2.93Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3.31Å; A38-K41 WeakPolarHBondContact O-CB 3.17Å; A38-K41 PolarHBondContact O-N 3.49Å; A38-Q42 PolarHBondContact O-N 2.85Å; A38-Q42 VanDerWaalsContact O-N 3.14Å; A38-D69 HydrophobicContact CB-CB 4.07Å
39T82.1Confident73.7Confident53 Ų5351.2 Ų51.233%0.32529%0.293SS..Hα-helixtrans-64.8-38.5177.7-46.90000110.8Y35 R36 V37 Q42 L43Y35-T39 HydrophobicContact CD1-CG2 3.78Å; Y35-T39 HydrophobicContact CE1-CG2 4.2Å; R36-T39 PolarHBondContact O-N 3.04Å; R36-T39 VanDerWaalsContact O-N 3.09Å; V37-T39 PolarHBondContact O-N 2.82Å; T39-Q42 PolarHBondContact O-N 3.24Å; T39-L43 HydrophobicContact CG2-CD1 4.35Å; T39-L43 WeakPolarHBondContact O-CG 3.37Å; T39-L43 PolarHBondContact O-N 3.14Å
40L80.3Confident73.5Confident0 Ų055.3 Ų55.30%032%0.315CS..Hα-helixtrans-62.6-44.4175-176.461.7000111.9L8 F20 F22 R36 V37 A38 Q42 L43 V44 L60 L73 L84L8-L40 HydrophobicContact CD1-CD1 4.41Å; L8-L40 HydrophobicContact CD1-CD2 4.23Å; F20-L40 HydrophobicContact CD1-CD1 4.49Å; F20-L40 HydrophobicContact CE1-CD1 4Å; F20-L40 HydrophobicContact CZ-CD1 4.33Å; F22-L40 HydrophobicContact CE1-CD1 3.74Å; F22-L40 HydrophobicContact CZ-CD1 3.42Å; F22-L40 VanDerWaalsContact CZ-CD1 3.42Å; R36-L40 PolarHBondContact O-N 3.09Å; V37-L40 WeakPolarHBondContact O-CB 3.47Å; V37-L40 PolarHBondContact O-N 3.36Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3.31Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.23Å; L40-L43 PolarHBondContact O-N 3.31Å; L40-V44 HydrophobicContact CD1-CG2 4.05Å; L40-V44 HydrophobicContact CG-CG2 4.14Å; L40-V44 WeakPolarHBondContact O-CB 3.35Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.28Å; L40-L60 HydrophobicContact CD2-CD1 4.2Å; L40-L60 HydrophobicContact CG-CD1 4.28Å; L40-L73 HydrophobicContact CB-CD1 4.48Å; L40-L73 HydrophobicContact CD2-CD1 3.97Å; L40-L73 HydrophobicContact CD2-CD2 3.55Å; L40-L73 HydrophobicContact CD2-CG 4.42Å; L40-L84 HydrophobicContact CD2-CD1 3.48Å; L40-L84 VanDerWaalsContact CD2-CD1 3.48Å
41K81.4Confident73.3Confident13 Ų1351.7 Ų51.76%0.05729%0.293CS..Hα-helixtrans-56-43.9175.3-73176.7172.2-175.10111.8V37 A38 V44 A45 P55 I58 L60 D69V37-K41 WeakPolarHBondContact O-CG 3.47Å; V37-K41 PolarHBondContact O-N 2.9Å; A38-K41 WeakPolarHBondContact O-CB 3.17Å; A38-K41 PolarHBondContact O-N 3.49Å; K41-V44 PolarHBondContact O-N 3.01Å; K41-A45 WeakPolarHBondContact O-CB 3.38Å; K41-A45 PolarHBondContact O-N 3.37Å; K41-P55 HydrophobicContact CB-CB 4.28Å; K41-P55 WeakPolarHBondContact CD-O 3.26Å; K41-I58 HydrophobicContact CB-CD1 3.81Å; K41-I58 HydrophobicContact CB-CG1 4.26Å; K41-I58 HydrophobicContact CD-CG1 4.36Å; K41-I58 WeakPolarHBondContact CE-O 3.46Å; K41-I58 HydrophobicContact CG-CD1 3.9Å; K41-I58 HydrophobicContact CG-CG1 4.13Å; K41-I58 PolarHBondContact NZ-O 3.45Å; K41-I58 VanDerWaalsContact NZ-O 3.08Å; K41-L60 HydrophobicContact CB-CD1 4.41Å; K41-L60 HydrophobicContact CD-CD1 4.42Å; K41-L60 HydrophobicContact CG-CD1 3.36Å; K41-L60 HydrophobicContact CG-CG 4.29Å; K41-D69 VanDerWaalsContact CD-OD1 3.26Å; K41-D69 WeakPolarHBondContact CD-OD1 3.46Å; K41-D69 WeakPolarHBondContact CE-OD1 3.08Å; K41-D69 IonicContact NZ-OD1 3.92Å; K41-D69 PolarHBondContact NZ-OD1 2.73Å; K41-D69 IonicContact NZ-OD2 3.46Å; K41-D69 PolarHBondContact NZ-OD2 2.77Å
42Q80.6Confident73Confident129 Ų12948 Ų4860%0.60327%0.269SS*.Hα-helixtrans-65.2-43.2178.9-167.7172.39.400112.3A38 T39 L40 A45 A46A38-Q42 PolarHBondContact O-N 2.85Å; A38-Q42 VanDerWaalsContact O-N 3.14Å; T39-Q42 PolarHBondContact O-N 3.24Å; L40-Q42 VanDerWaalsContact C-N 3.27Å; L40-Q42 PolarHBondContact O-N 3.23Å; Q42-A45 PolarHBondContact O-N 3Å; Q42-A46 WeakPolarHBondContact O-CB 3.39Å; Q42-A46 PolarHBondContact O-N 3.42Å
43L78.2Confident72.6Confident43 Ų4351 Ų5123%0.22529%0.288CS..Hα-helixtrans-67.5-37.8176.7-67169.9000112.4F20 P23 T39 L40 A46 Q47F20-L43 HydrophobicContact CE2-CB 4.2Å; F20-L43 HydrophobicContact CZ-CB 3.71Å; P23-L43 HydrophobicContact CG-CD2 4.41Å; T39-L43 HydrophobicContact CG2-CD1 4.35Å; T39-L43 WeakPolarHBondContact O-CG 3.37Å; T39-L43 PolarHBondContact O-N 3.14Å; L40-L43 PolarHBondContact O-N 3.31Å; L43-A46 PolarHBondContact O-N 2.99Å; L43-Q47 WeakPolarHBondContact O-CB 3.44Å; L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 3.41Å
44V78.3Confident72.7Confident0 Ų054.1 Ų54.10%030%0.303CS..Hα-helixtrans-64-44.4175169.30000110.7L10 F20 L40 K41 A46 Q47 L48 I58 I86L10-V44 HydrophobicContact CD1-CG1 4.02Å; L10-V44 HydrophobicContact CD1-CG2 3.98Å; L10-V44 HydrophobicContact CD2-CG2 4.3Å; F20-V44 HydrophobicContact CD2-CG2 4.21Å; F20-V44 HydrophobicContact CE2-CG2 4.13Å; L40-V44 HydrophobicContact CD1-CG2 4.05Å; L40-V44 HydrophobicContact CG-CG2 4.14Å; L40-V44 WeakPolarHBondContact O-CB 3.35Å; L40-V44 WeakPolarHBondContact O-CG2 3.41Å; L40-V44 PolarHBondContact O-N 3.28Å; K41-V44 PolarHBondContact O-N 3.01Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.16Å; V44-Q47 PolarHBondContact O-N 3.48Å; V44-L48 HydrophobicContact CG1-CD1 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 PolarHBondContact O-N 2.95Å; V44-I58 HydrophobicContact CG1-CD1 4.47Å; V44-I86 HydrophobicContact CG1-CD1 3.62Å
45A75.6Confident72.4Confident12 Ų1255.1 Ų55.110%0.09931%0.306CS..Hα-helixtrans-62.8-39.1175.500000112K41 Q42 L48 V52 P55K41-A45 WeakPolarHBondContact O-CB 3.38Å; K41-A45 PolarHBondContact O-N 3.37Å; Q42-A45 PolarHBondContact O-N 3Å; A45-L48 CarbonylContact O-C 3.55Å; A45-V52 HydrophobicContact CB-CG1 4.48Å; A45-P55 HydrophobicContact CB-CB 4.24Å
46A73.4Confident71.8Confident75 Ų7561.4 Ų61.462%0.6234%0.336SS*.Hα-helixtrans-67.8-34.9177.200000113.6Q42 L43 V44Q42-A46 WeakPolarHBondContact O-CB 3.39Å; Q42-A46 PolarHBondContact O-N 3.42Å; L43-A46 PolarHBondContact O-N 2.99Å; V44-A46 VanDerWaalsContact C-N 3.33Å; V44-A46 PolarHBondContact O-N 3.16Å
47Q70Confident71.1Confident120 Ų12057.9 Ų57.956%0.56133%0.327SS*.Hα-helixtrans-88.3-20.8-178.7-72.2-83.559.700113.5F20 L43 V44F20-Q47 HydrophobicContact CD2-CB 4.3Å; F20-Q47 HydrophobicContact CD2-CG 4.41Å; F20-Q47 HydrophobicContact CE2-CB 4.03Å; F20-Q47 HydrophobicContact CE2-CG 3.81Å; L43-Q47 WeakPolarHBondContact O-CB 3.44Å; L43-Q47 WeakPolarHBondContact O-CG 3.44Å; L43-Q47 PolarHBondContact O-N 3.41Å; V44-Q47 PolarHBondContact O-N 3.48Å
48L68.4Low70.8Confident35 Ų3558 Ų5818%0.18333%0.327CS..  trans-126.457.8178.2-68.3167.1000111.8L10 V44 A45 D50 S51 V52L10-L48 HydrophobicContact CD1-CD1 3.63Å; V44-L48 HydrophobicContact CG1-CD1 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.29Å; V44-L48 PolarHBondContact O-N 2.95Å; A45-L48 CarbonylContact O-C 3.55Å; L48-D50 PolarHBondContact O-N 3.36Å; L48-S51 PolarHBondContact O-N 3.49Å; L48-S51 VanDerWaalsContact O-N 3.12Å; L48-V52 PolarHBondContact O-N 3.19Å
49P60.6Low70.7Confident85 Ų8557.2 Ų57.255%0.55232%0.316SS*.THydrogen-bonded Turntrans-63.1-30.7-179.627.1-34.7000112.4S51P49-S51 PolarHBondContact O-N 3.26Å
50D55.9Low70.7Confident166 Ų16654.7 Ų54.789%0.88830%0.301SS*.THydrogen-bonded Turntrans-65.7-24.9177.2-80.4-39000113.4L48L48-D50 PolarHBondContact O-N 3.36Å
51S57Low70.8Confident4 Ų455.7 Ų55.73%0.02831%0.307CS..THydrogen-bonded Turntrans-108-25.5-175.1-71.40000112.6Q15 L48 P49 K88Q15-S51 VanDerWaalsContact CD-OG 3.3Å; Q15-S51 PolarHBondContact NE2-OG 3.14Å; Q15-S51 PolarHBondContact OE1-OG 2.96Å; L48-S51 PolarHBondContact O-N 3.49Å; L48-S51 VanDerWaalsContact O-N 3.12Å; P49-S51 PolarHBondContact O-N 3.26Å; S51-K88 WeakPolarHBondContact O-CE 3.46Å; S51-K88 PolarHBondContact O-NZ 2.93Å
52V60.7Low70.9Confident4 Ų455.9 Ų55.92%0.02431%0.308CS..  trans-145.3106.8-175.4-179.10000110.4L12 A45 L48 D54 I58 I86L12-V52 HydrophobicContact CD1-CG2 4.46Å; A45-V52 HydrophobicContact CB-CG1 4.48Å; L48-V52 PolarHBondContact O-N 3.19Å; V52-D54 WeakPolarHBondContact CG1-O 2.94Å; V52-I58 HydrophobicContact CB-CG2 4.17Å; V52-I58 HydrophobicContact CG1-CB 4.33Å; V52-I58 HydrophobicContact CG1-CD1 4.18Å; V52-I58 HydrophobicContact CG1-CG1 4.28Å; V52-I58 HydrophobicContact CG1-CG2 3.2Å; V52-I58 HydrophobicContact CG2-CG2 3.83Å; V52-I86 HydrophobicContact CG2-CG2 4.34Å
53P57.9Low70.7Confident84 Ų8455 Ų5555%0.54532%0.315SS..SBendtrans-77.1-30.717827.6-31.8000113.5W91P53-W91 HydrophobicContact CG-CH2 4.5Å; P53-W91 HydrophobicContact CG-CZ3 3.81Å
54D67.9Low70.6Confident74 Ų7456.3 Ų56.340%0.39634%0.339SS..  trans-127.2129.8-173-71.1-53.9000114.4V52 E56 L57V52-D54 WeakPolarHBondContact CG1-O 2.94Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 3.08Å; D54-L57 HydrophobicContact CB-CB 4.11Å; D54-L57 HydrophobicContact CB-CD1 3.86Å; D54-L57 HydrophobicContact CB-CG 3.9Å; D54-L57 PolarHBondContact O-N 2.69Å
55P65.4Low70.6Confident45 Ų4565.9 Ų65.929%0.29238%0.375SS..SBendtrans-70.4-23.1179.728.3-34.2000113.5K41 A45 I58K41-P55 HydrophobicContact CB-CB 4.28Å; K41-P55 WeakPolarHBondContact CD-O 3.26Å; A45-P55 HydrophobicContact CB-CB 4.24Å; P55-I58 WeakPolarHBondContact O-CG1 3.11Å
56E66.1Low70.9Confident167 Ų16770.9 Ų70.978%0.7840%0.395SS*.THydrogen-bonded Turntrans-81.7-23.2178.8-62.8-167.3163.300113.2D54 I58D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 3.08Å; E56-I58 VanDerWaalsContact C-N 3.31Å
57L68.9Low71.4Confident63 Ų6367.6 Ų67.633%0.3337%0.367SS..THydrogen-bonded Turntrans-89.84.9-178.3-60.4-179.4000112.9D54 K89D54-L57 HydrophobicContact CB-CB 4.11Å; D54-L57 HydrophobicContact CB-CD1 3.86Å; D54-L57 HydrophobicContact CB-CG 3.9Å; D54-L57 PolarHBondContact O-N 2.69Å; L57-K89 WeakPolarHBondContact O-CB 3.37Å; L57-K89 PolarHBondContact O-N 2.88Å
58I76.3Confident71.9Confident1 Ų168.4 Ų68.41%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-109142.8174.351.1164.1000113.3K41 V44 V52 P55 E56 I86K41-I58 HydrophobicContact CB-CD1 3.81Å; K41-I58 HydrophobicContact CB-CG1 4.26Å; K41-I58 HydrophobicContact CD-CG1 4.36Å; K41-I58 WeakPolarHBondContact CE-O 3.46Å; K41-I58 HydrophobicContact CG-CD1 3.9Å; K41-I58 HydrophobicContact CG-CG1 4.13Å; K41-I58 PolarHBondContact NZ-O 3.45Å; K41-I58 VanDerWaalsContact NZ-O 3.08Å; V44-I58 HydrophobicContact CG1-CD1 4.47Å; V52-I58 HydrophobicContact CB-CG2 4.17Å; V52-I58 HydrophobicContact CG1-CB 4.33Å; V52-I58 HydrophobicContact CG1-CD1 4.18Å; V52-I58 HydrophobicContact CG1-CG1 4.28Å; V52-I58 HydrophobicContact CG1-CG2 3.2Å; V52-I58 HydrophobicContact CG2-CG2 3.83Å; P55-I58 WeakPolarHBondContact O-CG1 3.11Å; E56-I58 VanDerWaalsContact C-N 3.31Å; I58-I86 HydrophobicContact CB-CG2 4.24Å; I58-I86 HydrophobicContact CG2-CG2 3.96Å
59E79.4Confident72.5Confident28 Ų2869.8 Ų69.813%0.13138%0.376CS..EExtended strand (participates in β ladder)trans-116.1127.5169.4-68.4-173.817400109.9K66 L87 K89E59-K66 VanDerWaalsContact OE1-CE 3.23Å; E59-K66 WeakPolarHBondContact OE1-CE 3.46Å; E59-K66 IonicContact OE1-NZ 2.69Å; E59-K66 PolarHBondContact OE1-NZ 2.93Å; E59-K66 WeakPolarHBondContact OE2-CD 3.49Å; E59-K66 WeakPolarHBondContact OE2-CE 3.13Å; E59-K66 IonicContact OE2-NZ 2.96Å; E59-K66 PolarHBondContact OE2-NZ 2.98Å; E59-L87 HydrophobicContact CB-CB 4.31Å; E59-L87 PolarHBondContact N-O 3.27Å; E59-L87 PolarHBondContact O-N 3.44Å; E59-K89 HydrophobicContact CG-CD 3.72Å; E59-K89 HydrophobicContact CG-CG 3.7Å; E59-K89 VanDerWaalsContact OE1-CD 3.25Å; E59-K89 WeakPolarHBondContact OE1-CD 3.49Å; E59-K89 WeakPolarHBondContact OE1-CE 3.48Å; E59-K89 IonicContact OE1-NZ 2.81Å; E59-K89 PolarHBondContact OE1-NZ 3.44Å
60L81.5Confident73.5Confident0 Ų071.8 Ų71.80%038%0.382CS..EExtended strand (participates in β ladder)trans-94.1133174.1-70.1150.8000108.4V37 L40 K41 L67 L84 H85 I86V37-L60 HydrophobicContact CG1-CD1 3.96Å; L40-L60 HydrophobicContact CD2-CD1 4.2Å; L40-L60 HydrophobicContact CG-CD1 4.28Å; K41-L60 HydrophobicContact CB-CD1 4.41Å; K41-L60 HydrophobicContact CD-CD1 4.42Å; K41-L60 HydrophobicContact CG-CD1 3.36Å; K41-L60 HydrophobicContact CG-CG 4.29Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 3.94Å; L60-L67 HydrophobicContact CB-CG 4.26Å; L60-L67 WeakPolarHBondContact O-CB 3.4Å; L60-L67 PolarHBondContact O-N 3.32Å; L60-L84 HydrophobicContact CD2-CB 4.27Å; L60-L84 HydrophobicContact CD2-CD1 4.23Å; L60-H85 CarbonylContact C-O 3.59Å; L60-H85 WeakPolarHBondContact CA-O 3.19Å; L60-I86 HydrophobicContact CD2-CG1 3.91Å
61V83.3Confident74.7Confident22 Ų2267.4 Ų67.413%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-123125.7177.1177.90000109.2R65 H85 L87V61-R65 CarbonylContact C-O 3.49Å; V61-R65 WeakPolarHBondContact CA-O 3.21Å; V61-H85 HydrophobicContact CB-CB 4.15Å; V61-H85 PolarHBondContact N-O 2.85Å; V61-H85 PolarHBondContact O-N 2.91Å; V61-L87 HydrophobicContact CG2-CD1 3.53Å; V61-L87 HydrophobicContact CG2-CG 4.31Å
62H83.6Confident76.1Confident17 Ų1769.6 Ų69.68%0.07937%0.371CS..EExtended strand (participates in β ladder)trans-118126.5175.8-174.1-114.9000109.6G64 R65 L67 C76 G77 V78 S82 L84H62-G64 PolarHBondContact O-N 3.47Å; H62-G64 VanDerWaalsContact O-N 3.07Å; H62-R65 PolarHBondContact N-O 2.69Å; H62-R65 PolarHBondContact O-N 3.4Å; H62-L67 HydrophobicContact CB-CD1 4.15Å; H62-L67 HydrophobicContact CB-CD2 3.78Å; H62-L67 HydrophobicContact CB-CG 4.13Å; H62-C76 PolarHBondContact ND1-O 2.91Å; H62-G77 PolarHBondContact CE1-O 2.84Å; H62-G77 VanDerWaalsContact CE1-O 3.27Å; H62-V78 HydrophobicContact CB-CG2 4.25Å; H62-S82 WeakPolarHBondContact NE2-CB 3.47Å; H62-L84 HydrophobicContact CB-CD2 3.59Å
63C76.1Confident76.9Confident109 Ų10969.4 Ų69.474%0.73637%0.37SS*.THydrogen-bonded Turntrans4838.1-179.9-62.50000114.3R65C63-R65 VanDerWaalsContact C-N 3.29Å; C63-R65 PolarHBondContact O-N 3.41Å
64G75.7Confident78Confident72 Ų7270.4 Ų70.474%0.74237%0.371SS*.THydrogen-bonded Turntrans77.95.8-178.500000115.3H62H62-G64 PolarHBondContact O-N 3.47Å; H62-G64 VanDerWaalsContact O-N 3.07Å
65R78.9Confident78.7Confident200 Ų20070.2 Ų70.276%0.75538%0.38SS*.EExtended strand (participates in β ladder)trans-107.2127.4174.5-61.8-176.1-177.2-166.80.5110.6V61 H62 C63 L67V61-R65 CarbonylContact C-O 3.49Å; V61-R65 WeakPolarHBondContact CA-O 3.21Å; H62-R65 PolarHBondContact N-O 2.69Å; H62-R65 PolarHBondContact O-N 3.4Å; C63-R65 VanDerWaalsContact C-N 3.29Å; C63-R65 PolarHBondContact O-N 3.41Å; R65-L67 PolarHBondContact O-N 2.91Å
66K82.6Confident79.2Confident117 Ų11769.4 Ų69.451%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-65.8123.1170.4176.5176.3171.1165.80109.9E59E59-K66 VanDerWaalsContact OE1-CE 3.23Å; E59-K66 WeakPolarHBondContact OE1-CE 3.46Å; E59-K66 IonicContact OE1-NZ 2.69Å; E59-K66 PolarHBondContact OE1-NZ 2.93Å; E59-K66 WeakPolarHBondContact OE2-CD 3.49Å; E59-K66 WeakPolarHBondContact OE2-CE 3.13Å; E59-K66 IonicContact OE2-NZ 2.96Å; E59-K66 PolarHBondContact OE2-NZ 2.98Å
67L82.3Confident79.8Confident7 Ų763.6 Ų63.64%0.03736%0.36CS..PPolyproline II helixtrans-77130176.9-59.4-169.9000109.4V37 L60 H62 R65 C76 V78 L84V37-L67 HydrophobicContact CB-CB 4.4Å; V37-L67 HydrophobicContact CG1-CB 3.66Å; V37-L67 HydrophobicContact CG2-CB 3.82Å; V37-L67 HydrophobicContact CG2-CD1 4.2Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 3.94Å; L60-L67 HydrophobicContact CB-CG 4.26Å; L60-L67 WeakPolarHBondContact O-CB 3.4Å; L60-L67 PolarHBondContact O-N 3.32Å; H62-L67 HydrophobicContact CB-CD1 4.15Å; H62-L67 HydrophobicContact CB-CD2 3.78Å; H62-L67 HydrophobicContact CB-CG 4.13Å; R65-L67 PolarHBondContact O-N 2.91Å; L67-C76 HydrophobicContact CD2-CB 3.48Å; L67-C76 VanDerWaalsContact CD2-CB 3.48Å; L67-V78 HydrophobicContact CD1-CG2 4.35Å; L67-L84 HydrophobicContact CD1-CD2 3.76Å
68K80.8Confident80.4Confident136 Ų13660.6 Ų60.659%0.59134%0.344SS*.PPolyproline II helixtrans-93.8143.6175.6-65.2-176178.8-178.70109.9V37 D70 L71V37-K68 VanDerWaalsContact CB-O 3.29Å; V37-K68 WeakPolarHBondContact CB-O 3.43Å; V37-K68 WeakPolarHBondContact CG2-O 3.22Å; K68-D70 PolarHBondContact O-N 2.84Å; K68-L71 HydrophobicContact CB-CD1 4.05Å; K68-L71 HydrophobicContact CB-CG 4.25Å; K68-L71 PolarHBondContact O-N 3.32Å; K68-L71 VanDerWaalsContact O-N 3.09Å
69D81.6Confident80.6Confident65 Ų6567 Ų6735%0.34837%0.374SS..THydrogen-bonded Turntrans-62-27.9-174.5-65.9-29.5000113.8A38 K41 L71A38-D69 HydrophobicContact CB-CB 4.07Å; K41-D69 VanDerWaalsContact CD-OD1 3.26Å; K41-D69 WeakPolarHBondContact CD-OD1 3.46Å; K41-D69 WeakPolarHBondContact CE-OD1 3.08Å; K41-D69 IonicContact NZ-OD1 3.92Å; K41-D69 PolarHBondContact NZ-OD1 2.73Å; K41-D69 IonicContact NZ-OD2 3.46Å; K41-D69 PolarHBondContact NZ-OD2 2.77Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.12Å
70D81.1Confident80.5Confident127 Ų12769.5 Ų69.568%0.67939%0.393SS*.THydrogen-bonded Turntrans-76.5-17.5179.3-54.3-55.7000114.1K68K68-D70 PolarHBondContact O-N 2.84Å
71L81.9Confident80.3Confident74 Ų7471 Ų7139%0.38741%0.409SS..SBendtrans-90150.3-175.1-64.7172.8000111.5R36 V37 K68 D69 C76R36-L71 WeakPolarHBondContact CA-O 3.23Å; V37-L71 WeakPolarHBondContact CG2-O 3.32Å; V37-L71 PolarHBondContact N-O 3Å; K68-L71 HydrophobicContact CB-CD1 4.05Å; K68-L71 HydrophobicContact CB-CG 4.25Å; K68-L71 PolarHBondContact O-N 3.32Å; K68-L71 VanDerWaalsContact O-N 3.09Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.12Å; L71-C76 VanDerWaalsContact CB-SG 3.54Å
72T85.1Confident80.3Confident49 Ų4971 Ų7130%0.30141%0.409SS..BIsolated β-bridgetrans-83.5155.8170.758.50000110.9Y35 D74 A75 C76Y35-T72 CarbonylContact O-C 3.59Å; Y35-T72 VanDerWaalsContact O-CA 3.31Å; Y35-T72 WeakPolarHBondContact O-CA 2.84Å; T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 PolarHBondContact O-N 3.3Å; T72-A75 PolarHBondContact O-N 2.92Å; T72-A75 VanDerWaalsContact O-N 3.12Å; T72-A75 VanDerWaalsContact OG1-CB 3.29Å; T72-A75 WeakPolarHBondContact OG1-CB 3.34Å; T72-A75 PolarHBondContact OG1-N 2.81Å; T72-C76 PolarHBondContact O-N 3.41Å; T72-C76 PolarHBondContact O-SG 3.12Å; T72-C76 VanDerWaalsContact O-SG 3.4Å
73L78.9Confident80.3Confident0 Ų072.6 Ų72.60%042%0.42CS..THydrogen-bonded Turntrans-58.9-39.5178.2-66.2178.3000111.9W6 F22 G33 Y35 V37 L40 C76 G77 V78W6-L73 HydrophobicContact CH2-CB 4.4Å; W6-L73 HydrophobicContact CH2-CD1 3.63Å; W6-L73 HydrophobicContact CZ3-CD1 3.91Å; F22-L73 HydrophobicContact CE1-CD1 4.48Å; F22-L73 HydrophobicContact CZ-CD1 4.36Å; G33-L73 PolarHBondContact O-N 2.59Å; Y35-L73 WeakPolarHBondContact O-CG 3.25Å; Y35-L73 PolarHBondContact O-N 2.83Å; V37-L73 HydrophobicContact CG2-CD2 4.15Å; L40-L73 HydrophobicContact CB-CD1 4.48Å; L40-L73 HydrophobicContact CD2-CD1 3.97Å; L40-L73 HydrophobicContact CD2-CD2 3.55Å; L40-L73 HydrophobicContact CD2-CG 4.42Å; L73-C76 CarbonylContact O-C 3.43Å; L73-C76 PolarHBondContact O-N 2.82Å; L73-G77 PolarHBondContact O-N 2.84Å; L73-G77 VanDerWaalsContact O-N 3.14Å; L73-V78 HydrophobicContact CB-CB 4.03Å; L73-V78 HydrophobicContact CB-CG1 4.47Å; L73-V78 HydrophobicContact CD2-CB 4.4Å; L73-V78 HydrophobicContact CD2-CG1 4.49Å; L73-V78 HydrophobicContact CD2-CG2 4.19Å; L73-V78 WeakPolarHBondContact O-CB 3.43Å; L73-V78 PolarHBondContact O-N 2.84Å
74D81.1Confident80.6Confident105 Ų10567.4 Ų67.456%0.56139%0.385SS*.THydrogen-bonded Turntrans-63.3-42.6173.2-90.3-38.8000112.6G33 T72 C76 G77G33-D74 VanDerWaalsContact C-OD2 3.29Å; G33-D74 VanDerWaalsContact CA-OD2 3.31Å; G33-D74 WeakPolarHBondContact CA-OD2 3.38Å; G33-D74 WeakPolarHBondContact O-CB 3.43Å; G33-D74 PolarHBondContact O-N 3.4Å; T72-D74 VanDerWaalsContact C-N 3.28Å; T72-D74 PolarHBondContact O-N 3.3Å; D74-C76 PolarHBondContact O-N 3.36Å; D74-G77 PolarHBondContact O-N 3.07Å
75A81.4Confident80.9Confident71 Ų7167.7 Ų67.759%0.58737%0.367SS*.THydrogen-bonded Turntrans-65-25.6176.800000112.2T72 G77T72-A75 PolarHBondContact O-N 2.92Å; T72-A75 VanDerWaalsContact O-N 3.12Å; T72-A75 VanDerWaalsContact OG1-CB 3.29Å; T72-A75 WeakPolarHBondContact OG1-CB 3.34Å; T72-A75 PolarHBondContact OG1-N 2.81Å; A75-G77 VanDerWaalsContact C-N 3.33Å
76C76.6Confident80.9Confident28 Ų2858.3 Ų58.319%0.18933%0.332CS..THydrogen-bonded Turntrans-87.1-1.1173.3-64.80000113.8H62 L67 L71 T72 L73 D74 V78H62-C76 PolarHBondContact ND1-O 2.91Å; L67-C76 HydrophobicContact CD2-CB 3.48Å; L67-C76 VanDerWaalsContact CD2-CB 3.48Å; L71-C76 VanDerWaalsContact CB-SG 3.54Å; T72-C76 PolarHBondContact O-N 3.41Å; T72-C76 PolarHBondContact O-SG 3.12Å; T72-C76 VanDerWaalsContact O-SG 3.4Å; L73-C76 CarbonylContact O-C 3.43Å; L73-C76 PolarHBondContact O-N 2.82Å; D74-C76 PolarHBondContact O-N 3.36Å; C76-V78 VanDerWaalsContact C-N 3.33Å; C76-V78 HydrophobicContact CB-CG2 4.06Å
77G79.4Confident80.6Confident44 Ų4456.1 Ų56.145%0.45433%0.325SS..THydrogen-bonded Turntrans71.524.2-179.400000113.9H62 L73 D74 A75 Q79H62-G77 PolarHBondContact CE1-O 2.84Å; H62-G77 VanDerWaalsContact CE1-O 3.27Å; L73-G77 PolarHBondContact O-N 2.84Å; L73-G77 VanDerWaalsContact O-N 3.14Å; D74-G77 PolarHBondContact O-N 3.07Å; A75-G77 VanDerWaalsContact C-N 3.33Å; G77-Q79 PolarHBondContact O-N 2.83Å
78V81.4Confident80.2Confident1 Ų161.4 Ų61.41%0.00635%0.348CS..  trans-81113.8179.8-1800000109.1W6 L8 H62 L67 L73 C76 L84W6-V78 HydrophobicContact CH2-CG1 4.3Å; W6-V78 HydrophobicContact CZ2-CG1 4.45Å; L8-V78 HydrophobicContact CD1-CG1 4.24Å; L8-V78 HydrophobicContact CD2-CG1 3.6Å; H62-V78 HydrophobicContact CB-CG2 4.25Å; L67-V78 HydrophobicContact CD1-CG2 4.35Å; L73-V78 HydrophobicContact CB-CB 4.03Å; L73-V78 HydrophobicContact CB-CG1 4.47Å; L73-V78 HydrophobicContact CD2-CB 4.4Å; L73-V78 HydrophobicContact CD2-CG1 4.49Å; L73-V78 HydrophobicContact CD2-CG2 4.19Å; L73-V78 WeakPolarHBondContact O-CB 3.43Å; L73-V78 PolarHBondContact O-N 2.84Å; C76-V78 VanDerWaalsContact C-N 3.33Å; C76-V78 HydrophobicContact CB-CG2 4.06Å; V78-L84 HydrophobicContact CG2-CD2 4.25Å
79Q80.1Confident79.5Confident136 Ų13659.5 Ų59.564%0.63634%0.34SS*.  trans-102.2162179.1-73.4-164.6-1.300112.2G77 G81 S82G77-Q79 PolarHBondContact O-N 2.83Å; Q79-G81 PolarHBondContact O-N 2.81Å; Q79-S82 WeakPolarHBondContact CA-OG 3.47Å; Q79-S82 PolarHBondContact N-OG 2.72Å; Q79-S82 WeakPolarHBondContact O-CB 3.36Å; Q79-S82 PolarHBondContact O-N 2.77Å; Q79-S82 PolarHBondContact O-OG 2.88Å
80P77.8Confident77.9Confident80 Ų8062.5 Ų62.552%0.51936%0.36SS..THydrogen-bonded Turntrans-53.7131.1169.617.6-26.5000111W6 S82W6-P80 VanDerWaalsContact CD1-CB 3.47Å; W6-P80 HydrophobicContact CG-CB 4.27Å; W6-P80 VanDerWaalsContact NE1-CD 3.32Å; P80-S82 VanDerWaalsContact C-N 3.34Å
81G77.4Confident75.9Confident32 Ų3264 Ų6433%0.3336%0.356SS..THydrogen-bonded Turntrans84.90.9-176.200000114.7H7 Q79H7-G81 WeakPolarHBondContact O-CA 3.34Å; H7-G81 PolarHBondContact O-N 2.85Å; Q79-G81 PolarHBondContact O-N 2.81Å
82S82.9Confident74.1Confident21 Ų2164.7 Ų64.715%0.14737%0.365CS..  trans-66148.3178.8-63.20000112.2S9 H62 Q79 P80S9-S82 PolarHBondContact N-O 2.81Å; H62-S82 WeakPolarHBondContact NE2-CB 3.47Å; Q79-S82 WeakPolarHBondContact CA-OG 3.47Å; Q79-S82 PolarHBondContact N-OG 2.72Å; Q79-S82 WeakPolarHBondContact O-CB 3.36Å; Q79-S82 PolarHBondContact O-N 2.77Å; Q79-S82 PolarHBondContact O-OG 2.88Å; P80-S82 VanDerWaalsContact C-N 3.34Å
83T82.6Confident72.2Confident50 Ų5067.4 Ų67.431%0.30738%0.375SS..EExtended strand (participates in β ladder)trans-96.2121.4176.5-53.30000110.8S9 K11S9-T83 CarbonylContact O-C 3.09Å; S9-T83 WeakPolarHBondContact O-CA 3.41Å; S9-T83 WeakPolarHBondContact O-CG2 3.44Å; K11-T83 HydrophobicContact CB-CG2 4.25Å
84L83.3Confident70.6Confident0 Ų072.3 Ų72.30%041%0.407CS..EExtended strand (participates in β ladder)trans-104.3130173.1-65.4175.9000109.9L8 S9 L10 K11 L40 L60 H62 L67 V78L8-L84 HydrophobicContact CD1-CD1 3.73Å; S9-L84 PolarHBondContact O-N 2.76Å; L10-L84 CarbonylContact C-O 3.6Å; L10-L84 WeakPolarHBondContact CA-O 3.4Å; L10-L84 HydrophobicContact CD2-CB 3.97Å; L10-L84 HydrophobicContact CD2-CD1 4.33Å; K11-L84 PolarHBondContact N-O 3.03Å; L40-L84 HydrophobicContact CD2-CD1 3.48Å; L40-L84 VanDerWaalsContact CD2-CD1 3.48Å; L60-L84 HydrophobicContact CD2-CB 4.27Å; L60-L84 HydrophobicContact CD2-CD1 4.23Å; H62-L84 HydrophobicContact CB-CD2 3.59Å; L67-L84 HydrophobicContact CD1-CD2 3.76Å; V78-L84 HydrophobicContact CG2-CD2 4.25Å
85H81Confident68.7Low79 Ų7975.1 Ų75.137%0.36642%0.417SS..EExtended strand (participates in β ladder)trans-90.6126.8172.3-71.6-110.9000108.9K11 L60 V61K11-H85 WeakPolarHBondContact O-CA 3.45Å; L60-H85 CarbonylContact C-O 3.59Å; L60-H85 WeakPolarHBondContact CA-O 3.19Å; V61-H85 HydrophobicContact CB-CB 4.15Å; V61-H85 PolarHBondContact N-O 2.85Å; V61-H85 PolarHBondContact O-N 2.91Å
86I80Confident67Low2 Ų274.5 Ų74.51%0.0142%0.417CS..EExtended strand (participates in β ladder)trans-99.9119175.4-57.6165.9000107.6L10 K11 L12 V44 V52 I58 L60L10-I86 HydrophobicContact CB-CD1 3.92Å; L10-I86 HydrophobicContact CD1-CD1 4.01Å; L10-I86 HydrophobicContact CD2-CD1 4.11Å; L10-I86 HydrophobicContact CD2-CG1 4.48Å; L10-I86 HydrophobicContact CG-CD1 4.22Å; K11-I86 PolarHBondContact O-N 3.27Å; L12-I86 HydrophobicContact CD1-CB 3.65Å; L12-I86 HydrophobicContact CD1-CD1 3.88Å; L12-I86 HydrophobicContact CD1-CG1 4.36Å; L12-I86 HydrophobicContact CD1-CG2 3.78Å; V44-I86 HydrophobicContact CG1-CD1 3.62Å; V52-I86 HydrophobicContact CG2-CG2 4.34Å; I58-I86 HydrophobicContact CB-CG2 4.24Å; I58-I86 HydrophobicContact CG2-CG2 3.96Å; L60-I86 HydrophobicContact CD2-CG1 3.91Å
87L75.4Confident65.5Low71 Ų7180.4 Ų80.437%0.37245%0.447SS..EExtended strand (participates in β ladder)trans-103.4126.7171.6-64.1169.7000107.8V13 E59 V61 K89V13-L87 HydrophobicContact CG2-CD2 3.69Å; E59-L87 HydrophobicContact CB-CB 4.31Å; E59-L87 PolarHBondContact N-O 3.27Å; E59-L87 PolarHBondContact O-N 3.44Å; V61-L87 HydrophobicContact CG2-CD1 3.53Å; V61-L87 HydrophobicContact CG2-CG 4.31Å; L87-K89 PolarHBondContact O-N 2.92Å
88K73.6Confident64.2Low119 Ų11982.4 Ų82.452%0.51745%0.451SS..EExtended strand (participates in β ladder)trans-74.5120.1165-61.1-177.6-178.8-171.30106.5S51 T90S51-K88 WeakPolarHBondContact O-CE 3.46Å; S51-K88 PolarHBondContact O-NZ 2.93Å; K88-T90 PolarHBondContact O-N 3.11Å; K88-T90 VanDerWaalsContact O-N 3.08Å
89K66.9Low62.9Low96 Ų9688.7 Ų88.742%0.41748%0.481SS..PPolyproline II helixtrans-60.7116.1158.9-67.6170.1104.7148.80103.8L57 E59 L87 W91L57-K89 WeakPolarHBondContact O-CB 3.37Å; L57-K89 PolarHBondContact O-N 2.88Å; E59-K89 HydrophobicContact CG-CD 3.72Å; E59-K89 HydrophobicContact CG-CG 3.7Å; E59-K89 VanDerWaalsContact OE1-CD 3.25Å; E59-K89 WeakPolarHBondContact OE1-CD 3.49Å; E59-K89 WeakPolarHBondContact OE1-CE 3.48Å; E59-K89 IonicContact OE1-NZ 2.81Å; E59-K89 PolarHBondContact OE1-NZ 3.44Å; L87-K89 PolarHBondContact O-N 2.92Å; K89-W91 PolarHBondContact O-N 3.1Å; K89-W91 VanDerWaalsContact O-N 3.15Å
90T47.8Very low61.8Low127 Ų12788 Ų8878%0.77949%0.488SS*.  trans-21.7114.8179.342.20000111.7K88 P92K88-T90 PolarHBondContact O-N 3.11Å; K88-T90 VanDerWaalsContact O-N 3.08Å; T90-P92 WeakPolarHBondContact O-CD 3.21Å
91W40.3Very low61.1Low158 Ų15885.3 Ų85.360%0.59847%0.47SS*.  trans-53.1108.4166.7-177.7-97.5000107P53 K89 E93P53-W91 HydrophobicContact CG-CH2 4.5Å; P53-W91 HydrophobicContact CG-CZ3 3.81Å; K89-W91 PolarHBondContact O-N 3.1Å; K89-W91 VanDerWaalsContact O-N 3.15Å; W91-E93 VanDerWaalsContact C-N 3.31Å; W91-E93 PolarHBondContact O-N 3.03Å
92P43.2Very low60.7Low89 Ų8988.5 Ų88.558%0.57848%0.48SS*.  trans-71.7103.1163.36.612.4000103.6T90 P94T90-P92 WeakPolarHBondContact O-CD 3.21Å; P92-P94 VanDerWaalsContact O-N 3.08Å
93E44.9Very low60.1Low106 Ų10694.5 Ų94.550%0.49550%0.499SS..  trans-46.6122153.5-16795.9110.900104.5W91 E95 R149W91-E93 VanDerWaalsContact C-N 3.31Å; W91-E93 PolarHBondContact O-N 3.03Å; E93-E95 PolarHBondContact O-N 3.42Å; E93-R149 IonicContact OE1-NH1 2.59Å
94P44.8Very low59.5Low103 Ų10395.6 Ų95.667%0.66951%0.513SS*.  trans-49.6119.7-170.816.3-30.1000107.9P92 G96P92-P94 VanDerWaalsContact O-N 3.08Å; P94-G96 VanDerWaalsContact C-N 3.26Å; P94-G96 PolarHBondContact O-N 2.95Å
95E41.9Very low59.2Low165 Ų16598.8 Ų98.877%0.77153%0.533SS*.  trans-46.997.3175.2-73.7-101.7123.200107.1E93 N97E93-E95 PolarHBondContact O-N 3.42Å; E95-N97 PolarHBondContact O-N 2.7Å
96G45.5Very low58.8Low58 Ų5895 Ų9560%0.59852%0.516SS*.  trans-64.4108.5177.200000104.7P94 P98P94-G96 VanDerWaalsContact C-N 3.26Å; P94-G96 PolarHBondContact O-N 2.95Å; G96-P98 VanDerWaalsContact O-N 3.14Å
97N45.5Very low58.6Low152 Ų15295.8 Ų95.881%0.81352%0.522SS*.  trans-38.6125.9174.5-89-66.9000108.4E95 E99E95-N97 PolarHBondContact O-N 2.7Å; N97-E99 PolarHBondContact O-N 2.96Å
98P51Low58.8Low85 Ų85100.5 Ų100.555%0.55254%0.535SS*.  trans-54.9116.1179.822.2-31.7000107.4G96 P181G96-P98 VanDerWaalsContact O-N 3.14Å; P98-P181 HydrophobicContact CB-CB 4.09Å; P98-P181 HydrophobicContact CB-CG 3.47Å; P98-P181 VanDerWaalsContact CB-CG 3.47Å; P98-P181 HydrophobicContact CG-CG 4.37Å
99E55.5Low59Low134 Ų13496.8 Ų96.863%0.62652%0.519SS*.  trans-53.4128.1179.1-170.5177.1175.600107.5N97 V101N97-E99 PolarHBondContact O-N 2.96Å; E99-V101 PolarHBondContact O-N 3.06Å
100P56.1Low59.6Low120 Ų12092.2 Ų92.278%0.77950%0.5SS*.  trans-63.1105.3-16822.9-32.8000109.8N102P100-N102 PolarHBondContact O-N 3.15Å; P100-N102 VanDerWaalsContact O-N 3.11Å
101V62.8Low61Low24 Ų2493.9 Ų93.915%0.14549%0.492CS..  trans-67.1112.6175.8-172.80000107.3E99 R103 A106 P181 V184E99-V101 PolarHBondContact O-N 3.06Å; V101-R103 PolarHBondContact O-N 2.96Å; V101-A106 HydrophobicContact CG1-CB 3.55Å; V101-P181 HydrophobicContact CG2-CB 3.8Å; V101-V184 HydrophobicContact CG1-CB 4.38Å; V101-V184 HydrophobicContact CG1-CG1 3.82Å
102N69.8Low62.9Low100 Ų10090 Ų9054%0.53549%0.485SS..  trans-67.2101.8174.6-173.8-31.9000108.9P100 A104 T105 A106P100-N102 PolarHBondContact O-N 3.15Å; P100-N102 VanDerWaalsContact O-N 3.11Å; N102-A104 PolarHBondContact O-N 2.93Å; N102-A104 VanDerWaalsContact O-N 3.1Å; N102-A104 PolarHBondContact OD1-N 3.42Å; N102-T105 PolarHBondContact O-N 3.08Å; N102-A106 WeakPolarHBondContact O-CB 3.05Å; N102-A106 PolarHBondContact O-N 3.43Å
103R70.8Confident64.6Low146 Ų14685.8 Ų85.855%0.55146%0.457SS*.Hα-helixtrans-50-38.5-175-172.1179.7-133.4155.66.2113.3V101 A107 D174 I177V101-R103 PolarHBondContact O-N 2.96Å; R103-A107 WeakPolarHBondContact O-CB 3.35Å; R103-A107 PolarHBondContact O-N 3.23Å; R103-D174 IonicContact CZ-OD1 2.83Å; R103-D174 VanDerWaalsContact CZ-OD1 3.25Å; R103-D174 IonicContact NE-OD1 3.47Å; R103-D174 PolarHBondContact NE-OD1 3.38Å; R103-D174 IonicContact NH2-OD1 3.63Å; R103-D174 PolarHBondContact NH2-OD1 3.34Å; R103-I177 HydrophobicContact CG-CD1 4.16Å
104A70.3Confident66.3Low73 Ų7382.9 Ų82.960%0.60344%0.444SS*.Hα-helixtrans-73.3-39.2-178.300000112.5N102 R108N102-A104 PolarHBondContact O-N 2.93Å; N102-A104 VanDerWaalsContact O-N 3.1Å; N102-A104 PolarHBondContact OD1-N 3.42Å; A104-R108 PolarHBondContact O-N 2.93Å
105T75.3Confident67.8Low67 Ų6780 Ų8041%0.41143%0.429SS..Hα-helixtrans-72.6-46.5176.1-53.30000110.5N102 A107 R108 E109N102-T105 PolarHBondContact O-N 3.08Å; T105-A107 PolarHBondContact O-N 3.34Å; T105-R108 WeakPolarHBondContact O-CB 2.85Å; T105-R108 PolarHBondContact O-N 3.42Å; T105-E109 HydrophobicContact CG2-CG 4.26Å; T105-E109 WeakPolarHBondContact O-CG 3.17Å; T105-E109 PolarHBondContact O-N 2.91Å
106A73.3Confident69.3Low1 Ų172.6 Ų72.61%0.00840%0.396CS..Hα-helixtrans-58.3-46.6177.100000111.6V101 N102 R108 E109 F110 V184 I188V101-A106 HydrophobicContact CG1-CB 3.55Å; N102-A106 WeakPolarHBondContact O-CB 3.05Å; N102-A106 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.11Å; A106-E109 PolarHBondContact O-N 2.82Å; A106-F110 WeakPolarHBondContact O-CB 3.22Å; A106-F110 PolarHBondContact O-N 2.95Å; A106-V184 HydrophobicContact CB-CG1 3.89Å; A106-I188 HydrophobicContact CB-CD1 4.01Å
107A76.2Confident70.7Confident17 Ų1769.9 Ų69.914%0.1437%0.368CS..Hα-helixtrans-63.1-26.1177.300000113.7R103 T105 R111 L173R103-A107 WeakPolarHBondContact O-CB 3.35Å; R103-A107 PolarHBondContact O-N 3.23Å; T105-A107 PolarHBondContact O-N 3.34Å; A107-R111 WeakPolarHBondContact O-CB 3.34Å; A107-R111 WeakPolarHBondContact O-CG 3.45Å; A107-R111 PolarHBondContact O-N 3.43Å; A107-R111 PolarHBondContact O-NE 2.86Å; A107-L173 HydrophobicContact CB-CD2 3.89Å
108R78.5Confident72.1Confident171 Ų17167.5 Ų67.565%0.64535%0.351SS*.Hα-helixtrans-75.3-54.2173.5179.9-166.1-59.8-116.5-0.6110.2A104 T105 A106 F110 R111 V112A104-R108 PolarHBondContact O-N 2.93Å; T105-R108 WeakPolarHBondContact O-CB 2.85Å; T105-R108 PolarHBondContact O-N 3.42Å; A106-R108 PolarHBondContact O-N 3.11Å; R108-F110 VanDerWaalsContact C-N 3.29Å; R108-F110 PolarHBondContact O-N 2.85Å; R108-R111 PolarHBondContact O-N 2.92Å; R108-V112 WeakPolarHBondContact O-CG2 3.27Å; R108-V112 PolarHBondContact O-N 3.09Å
109E78.5Confident72.9Confident40 Ų4067.4 Ų67.419%0.18735%0.353CS..Hα-helixtrans-63.2-37.1-177.8-63-48.1145.300111.6T105 A106 V112 F113 I188 L191 H192T105-E109 HydrophobicContact CG2-CG 4.26Å; T105-E109 WeakPolarHBondContact O-CG 3.17Å; T105-E109 PolarHBondContact O-N 2.91Å; A106-E109 PolarHBondContact O-N 2.82Å; E109-V112 PolarHBondContact O-N 3.39Å; E109-F113 WeakPolarHBondContact O-CB 3.44Å; E109-F113 PolarHBondContact O-N 3.5Å; E109-I188 HydrophobicContact CB-CG1 4.03Å; E109-I188 HydrophobicContact CB-CG2 4.46Å; E109-I188 HydrophobicContact CG-CG2 4.31Å; E109-L191 HydrophobicContact CB-CD2 3.96Å; E109-L191 VanDerWaalsContact OE2-CD2 3.24Å; E109-L191 WeakPolarHBondContact OE2-CD2 3.18Å; E109-H192 IonicContact OE2-NE2 3.8Å
110F78.9Confident73.1Confident1 Ų165.5 Ų65.50%0.00435%0.346CS..Hα-helixtrans-68.1-36.8176.3-143.9-105.4000112.7A106 R108 F113 H114 F167 T168 L173 L176 I187A106-F110 WeakPolarHBondContact O-CB 3.22Å; A106-F110 PolarHBondContact O-N 2.95Å; R108-F110 VanDerWaalsContact C-N 3.29Å; R108-F110 PolarHBondContact O-N 2.85Å; F110-F113 PolarHBondContact O-N 2.83Å; F110-H114 WeakPolarHBondContact O-CB 3.11Å; F110-H114 PolarHBondContact O-N 3.43Å; F110-F167 VanDerWaalsContact CZ-O 3.23Å; F110-F167 WeakPolarHBondContact CZ-O 3.38Å; F110-T168 WeakPolarHBondContact CD1-O 3.26Å; F110-T168 VanDerWaalsContact CE1-CA 3.49Å; F110-T168 WeakPolarHBondContact CE1-O 3.4Å; F110-L173 HydrophobicContact CB-CD1 3.28Å; F110-L173 HydrophobicContact CD1-CB 4.34Å; F110-L173 HydrophobicContact CD1-CD1 3.5Å; F110-L173 HydrophobicContact CD2-CD1 3.75Å; F110-L173 HydrophobicContact CE1-CB 4.41Å; F110-L173 HydrophobicContact CE1-CD1 4.1Å; F110-L173 HydrophobicContact CE2-CD1 4.33Å; F110-L173 HydrophobicContact CG-CD1 3.27Å; F110-L173 HydrophobicContact CZ-CD1 4.47Å; F110-L176 HydrophobicContact CZ-CD1 4.17Å; F110-I187 HydrophobicContact CD2-CG2 3.92Å; F110-I187 HydrophobicContact CE2-CB 4.25Å; F110-I187 HydrophobicContact CE2-CD1 3.6Å; F110-I187 HydrophobicContact CE2-CG2 3.83Å; F110-I187 HydrophobicContact CZ-CD1 4.06Å
111R78.2Confident73.3Confident162 Ų16266 Ų6661%0.61134%0.342SS*.Hα-helixtrans-66.2-41.7172.9-79.9-178.8-118-163.2-8111.4A107 R108 F113 A115 P170A107-R111 WeakPolarHBondContact O-CB 3.34Å; A107-R111 WeakPolarHBondContact O-CG 3.45Å; A107-R111 PolarHBondContact O-N 3.43Å; A107-R111 PolarHBondContact O-NE 2.86Å; R108-R111 PolarHBondContact O-N 2.92Å; R111-F113 VanDerWaalsContact C-N 3.33Å; R111-A115 VanDerWaalsContact O-CB 3.23Å; R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 3.38Å; R111-P170 HydrophobicContact CG-CB 4.37Å
112V80.9Confident73.7Confident75 Ų7568.6 Ų68.646%0.45536%0.362SS..Hα-helixtrans-63.6-42.8174.8172.90000110.2R108 E109 A115 A116 L191R108-V112 WeakPolarHBondContact O-CG2 3.27Å; R108-V112 PolarHBondContact O-N 3.09Å; E109-V112 PolarHBondContact O-N 3.39Å; V112-A115 PolarHBondContact O-N 3.5Å; V112-A116 VanDerWaalsContact O-CB 3.23Å; V112-A116 WeakPolarHBondContact O-CB 3.46Å; V112-A116 PolarHBondContact O-N 2.77Å; V112-L191 HydrophobicContact CG1-CD1 4.34Å; V112-L191 HydrophobicContact CG1-CD2 4.43Å
113F78.9Confident74.1Confident1 Ų166.6 Ų66.60%0.00436%0.359CS..Hα-helixtrans-67.7-46.3178.9-171-110.5000112.5E109 F110 R111 A115 A116 L117 Y124 V128 F164 T168 I187 V190 L191E109-F113 WeakPolarHBondContact O-CB 3.44Å; E109-F113 PolarHBondContact O-N 3.5Å; F110-F113 PolarHBondContact O-N 2.83Å; R111-F113 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 2.93Å; F113-A116 CarbonylContact O-C 3.58Å; F113-A116 WeakPolarHBondContact O-CA 3.33Å; F113-A116 WeakPolarHBondContact O-CB 3.49Å; F113-A116 PolarHBondContact O-N 3.42Å; F113-L117 HydrophobicContact CD1-CD1 3.76Å; F113-L117 HydrophobicContact CD1-CG 4.22Å; F113-L117 HydrophobicContact CE1-CD1 3.34Å; F113-L117 HydrophobicContact CE1-CD2 4.44Å; F113-L117 HydrophobicContact CE1-CG 3.93Å; F113-L117 HydrophobicContact CE2-CG 4.45Å; F113-L117 HydrophobicContact CZ-CD1 3.86Å; F113-L117 HydrophobicContact CZ-CD2 4.12Å; F113-L117 HydrophobicContact CZ-CG 4.04Å; F113-L117 WeakPolarHBondContact O-CB 3.44Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.04Å; F113-Y124 HydrophobicContact CE2-CE1 4.3Å; F113-V128 HydrophobicContact CE2-CG2 4.33Å; F113-V128 HydrophobicContact CZ-CG1 4.23Å; F113-F164 AromaticContact CE1-CE1 3.64Å; F113-F164 HydrophobicContact CE1-CE1 3.64Å; F113-F164 AromaticContact CE1-CZ 3.48Å; F113-F164 HydrophobicContact CE1-CZ 3.48Å; F113-F164 VanDerWaalsContact CE1-CZ 3.48Å; F113-F164 AromaticContact CZ-CE1 3.61Å; F113-F164 HydrophobicContact CZ-CE1 3.61Å; F113-F164 AromaticContact CZ-CZ 3.48Å; F113-F164 HydrophobicContact CZ-CZ 3.48Å; F113-F164 VanDerWaalsContact CZ-CZ 3.48Å; F113-T168 HydrophobicContact CD1-CG2 3.77Å; F113-T168 HydrophobicContact CE1-CG2 3.52Å; F113-I187 HydrophobicContact CD1-CG2 3.46Å; F113-I187 VanDerWaalsContact CD1-CG2 3.46Å; F113-I187 HydrophobicContact CE1-CG2 3.63Å; F113-I187 HydrophobicContact CG-CG2 4.01Å; F113-I187 HydrophobicContact CZ-CG2 4.35Å; F113-V190 HydrophobicContact CE2-CG1 4.04Å; F113-V190 HydrophobicContact CZ-CG1 4.01Å; F113-L191 HydrophobicContact CB-CD1 4.3Å; F113-L191 HydrophobicContact CB-CD2 4.29Å; F113-L191 HydrophobicContact CD2-CB 3.65Å; F113-L191 HydrophobicContact CD2-CD1 3.77Å; F113-L191 HydrophobicContact CD2-CG 4.2Å; F113-L191 HydrophobicContact CE2-CB 4.23Å; F113-L191 HydrophobicContact CG-CB 4.42Å
114H80.1Confident74.6Confident45 Ų4560.2 Ų60.221%0.20834%0.335CS..Hα-helixtrans-60.3-45.2174.3177.1-88.4000111F110 A116 L117 H118 T168 D169F110-H114 WeakPolarHBondContact O-CB 3.11Å; F110-H114 PolarHBondContact O-N 3.43Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.97Å; H114-L117 PolarHBondContact O-N 3.28Å; H114-H118 AromaticContact CD2-CD2 3.58Å; H114-H118 AromaticContact CD2-NE2 3.85Å; H114-H118 AromaticContact CE1-CD2 3.76Å; H114-H118 AromaticContact NE2-CD2 3.44Å; H114-H118 PolarHBondContact NE2-CD2 2.62Å; H114-H118 AromaticContact NE2-NE2 3.64Å; H114-H118 WeakPolarHBondContact O-CB 3.38Å; H114-H118 PolarHBondContact O-CD2 3.32Å; H114-H118 VanDerWaalsContact O-CD2 3.27Å; H114-H118 PolarHBondContact O-N 3.47Å; H114-T168 WeakPolarHBondContact CB-O 3.19Å; H114-T168 PolarHBondContact CD2-O 3.12Å; H114-T168 VanDerWaalsContact CD2-O 3.26Å; H114-D169 IonicContact CD2-OD1 3.37Å; H114-D169 IonicContact NE2-OD1 3.69Å; H114-D169 PolarHBondContact NE2-OD1 3.07Å
115A76.5Confident75Confident44 Ų4459.4 Ų59.436%0.36432%0.316SS..Hα-helixtrans-61-41.2171.800000111.2R111 V112 F113 L117 H118 S119 L120R111-A115 VanDerWaalsContact O-CB 3.23Å; R111-A115 WeakPolarHBondContact O-CB 3.4Å; R111-A115 PolarHBondContact O-N 3.38Å; V112-A115 PolarHBondContact O-N 3.5Å; F113-A115 PolarHBondContact O-N 2.93Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 3.44Å; A115-H118 PolarHBondContact O-N 3.2Å; A115-S119 WeakPolarHBondContact O-CA 3.42Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.37Å; A115-S119 PolarHBondContact O-N 2.83Å; A115-S119 PolarHBondContact O-OG 3.04Å; A115-L120 PolarHBondContact O-N 3.21Å
116A73Confident75.4Confident8 Ų860.2 Ų60.27%0.06632%0.318CS..Hα-helixtrans-67-33.9178.200000112.4V112 F113 H114 L120 Y124V112-A116 VanDerWaalsContact O-CB 3.23Å; V112-A116 WeakPolarHBondContact O-CB 3.46Å; V112-A116 PolarHBondContact O-N 2.77Å; F113-A116 CarbonylContact O-C 3.58Å; F113-A116 WeakPolarHBondContact O-CA 3.33Å; F113-A116 WeakPolarHBondContact O-CB 3.49Å; F113-A116 PolarHBondContact O-N 3.42Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 2.97Å; A116-L120 HydrophobicContact CB-CB 4.47Å; A116-L120 HydrophobicContact CB-CD2 4.44Å; A116-L120 WeakPolarHBondContact O-CB 3.25Å; A116-L120 PolarHBondContact O-N 3.27Å; A116-Y124 HydrophobicContact CB-CD1 4.1Å; A116-Y124 HydrophobicContact CB-CE1 3.69Å
117L75.3Confident75.8Confident2 Ų262.5 Ų62.51%0.0133%0.334CS..Hα-helixtrans-72.5-40.5174.6-73.3-180000111.5F113 H114 A115 Y124 R125 F164 T168F113-L117 HydrophobicContact CD1-CD1 3.76Å; F113-L117 HydrophobicContact CD1-CG 4.22Å; F113-L117 HydrophobicContact CE1-CD1 3.34Å; F113-L117 HydrophobicContact CE1-CD2 4.44Å; F113-L117 HydrophobicContact CE1-CG 3.93Å; F113-L117 HydrophobicContact CE2-CG 4.45Å; F113-L117 HydrophobicContact CZ-CD1 3.86Å; F113-L117 HydrophobicContact CZ-CD2 4.12Å; F113-L117 HydrophobicContact CZ-CG 4.04Å; F113-L117 WeakPolarHBondContact O-CB 3.44Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.04Å; H114-L117 PolarHBondContact O-N 3.28Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 3.44Å; L117-Y124 HydrophobicContact CD2-CE1 4.37Å; L117-R125 HydrophobicContact CD2-CG 4.07Å; L117-R125 WeakPolarHBondContact O-CD 3.31Å; L117-R125 VanDerWaalsContact O-CG 3.22Å; L117-R125 WeakPolarHBondContact O-CG 3.47Å; L117-R125 PolarHBondContact O-NH1 2.81Å; L117-F164 HydrophobicContact CD1-CD1 4.39Å; L117-F164 HydrophobicContact CD1-CE1 3.98Å; L117-F164 HydrophobicContact CD2-CE1 4.49Å; L117-T168 HydrophobicContact CD1-CG2 3.84Å; L117-T168 WeakPolarHBondContact CD1-OG1 3.45Å
118H73.2Confident76.2Confident101 Ų10161.7 Ų61.747%0.46833%0.327SS..Hα-helixtrans-93.7-24.4-173.4-74.3-85.7000114.9H114 A115H114-H118 AromaticContact CD2-CD2 3.58Å; H114-H118 AromaticContact CD2-NE2 3.85Å; H114-H118 AromaticContact CE1-CD2 3.76Å; H114-H118 AromaticContact NE2-CD2 3.44Å; H114-H118 PolarHBondContact NE2-CD2 2.62Å; H114-H118 AromaticContact NE2-NE2 3.64Å; H114-H118 WeakPolarHBondContact O-CB 3.38Å; H114-H118 PolarHBondContact O-CD2 3.32Å; H114-H118 VanDerWaalsContact O-CD2 3.27Å; H114-H118 PolarHBondContact O-N 3.47Å; A115-H118 PolarHBondContact O-N 3.2Å
119S68.3Low76.5Confident84 Ų8454.6 Ų54.659%0.58730%0.301SS*.THydrogen-bonded Turntrans-116.5-29.9-175.175.50000114.4A115 N121A115-S119 WeakPolarHBondContact O-CA 3.42Å; A115-S119 VanDerWaalsContact O-CB 3.25Å; A115-S119 WeakPolarHBondContact O-CB 3.37Å; A115-S119 PolarHBondContact O-N 2.83Å; A115-S119 PolarHBondContact O-OG 3.04Å; S119-N121 PolarHBondContact O-N 3.47Å
120L60.7Low76.8Confident94 Ų9460.6 Ų60.649%0.49233%0.326SS..SBendtrans-84.7113.9172.6-103.468.2000108.2A115 A116A115-L120 PolarHBondContact O-N 3.21Å; A116-L120 HydrophobicContact CB-CB 4.47Å; A116-L120 HydrophobicContact CB-CD2 4.44Å; A116-L120 WeakPolarHBondContact O-CB 3.25Å; A116-L120 PolarHBondContact O-N 3.27Å
121N60.9Low77Confident130 Ų13061.9 Ų61.970%0.69533%0.333SS*.  trans18.1127.6157.4-71.4-19.9000117.7S119 A123 Y124S119-N121 PolarHBondContact O-N 3.47Å; N121-A123 HydrophobicContact CB-CB 4.43Å; N121-A123 PolarHBondContact O-N 3.11Å; N121-Y124 PolarHBondContact O-N 2.94Å
122S69.8Low77.2Confident79 Ų7954.4 Ų54.455%0.55231%0.305SS*.Hα-helixtrans-37.4-40.5168.1-170.60000112.9Y124 R125 D126S122-Y124 VanDerWaalsContact C-N 3.34Å; S122-Y124 PolarHBondContact O-N 3.44Å; S122-R125 WeakPolarHBondContact O-CB 3.28Å; S122-R125 PolarHBondContact O-N 3.14Å; S122-R125 VanDerWaalsContact O-N 3.15Å; S122-D126 VanDerWaalsContact C-OD2 3.23Å; S122-D126 WeakPolarHBondContact O-CB 3.49Å; S122-D126 PolarHBondContact O-N 3.41Å; S122-D126 PolarHBondContact OG-OD2 2.97Å
123A78.2Confident77.5Confident57 Ų5755.9 Ų55.947%0.47131%0.314SS..Hα-helixtrans-54.6-37.1176.800000115.7N121 S127N121-A123 HydrophobicContact CB-CB 4.43Å; N121-A123 PolarHBondContact O-N 3.11Å; A123-S127 WeakPolarHBondContact O-CB 3.3Å; A123-S127 PolarHBondContact O-N 2.89Å; A123-S127 PolarHBondContact O-OG 3.43Å
124Y81.3Confident78Confident13 Ų1359.2 Ų59.25%0.05133%0.332CS..Hα-helixtrans-70.2-47.4175.5179.3-94.8000110.8F113 A116 L117 N121 S122 D126 S127 V128 V194 M198F113-Y124 HydrophobicContact CE2-CE1 4.3Å; A116-Y124 HydrophobicContact CB-CD1 4.1Å; A116-Y124 HydrophobicContact CB-CE1 3.69Å; L117-Y124 HydrophobicContact CD2-CE1 4.37Å; N121-Y124 PolarHBondContact O-N 2.94Å; S122-Y124 VanDerWaalsContact C-N 3.34Å; S122-Y124 PolarHBondContact O-N 3.44Å; Y124-D126 VanDerWaalsContact C-N 3.32Å; Y124-D126 PolarHBondContact O-N 3.28Å; Y124-S127 WeakPolarHBondContact O-CB 3.48Å; Y124-S127 PolarHBondContact O-N 3.05Å; Y124-S127 VanDerWaalsContact O-N 3.17Å; Y124-V128 HydrophobicContact CD1-CG2 4.15Å; Y124-V128 HydrophobicContact CE1-CG2 3.7Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 3.16Å; Y124-V194 HydrophobicContact CD2-CG1 3.68Å; Y124-V194 HydrophobicContact CE2-CB 3.89Å; Y124-V194 HydrophobicContact CE2-CG1 3.35Å; Y124-M198 HydrophobicContact CD2-CE 4.07Å; Y124-M198 HydrophobicContact CD2-SD 4.46Å
125R79.8Confident78.1Confident56 Ų5664.7 Ų64.721%0.21136%0.355CS..Hα-helixtrans-57.2-46.9174.3-59.1175.768.190.9-1111.2L117 S122 S127 V128 Y129L117-R125 HydrophobicContact CD2-CG 4.07Å; L117-R125 WeakPolarHBondContact O-CD 3.31Å; L117-R125 VanDerWaalsContact O-CG 3.22Å; L117-R125 WeakPolarHBondContact O-CG 3.47Å; L117-R125 PolarHBondContact O-NH1 2.81Å; S122-R125 WeakPolarHBondContact O-CB 3.28Å; S122-R125 PolarHBondContact O-N 3.14Å; S122-R125 VanDerWaalsContact O-N 3.15Å; R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 3.49Å; R125-V128 WeakPolarHBondContact O-CB 3.32Å; R125-V128 PolarHBondContact O-N 3.09Å; R125-Y129 HydrophobicContact CB-CD2 4.38Å; R125-Y129 HydrophobicContact CB-CE2 3.99Å; R125-Y129 PolarHBondContact NH2-OH 3.2Å; R125-Y129 WeakPolarHBondContact O-CD2 3.46Å; R125-Y129 PolarHBondContact O-N 2.88Å
126D82.5Confident78.6Confident84 Ų8468.6 Ų68.645%0.44937%0.366SS..Hα-helixtrans-62-36.2179.3-67.6-39.2000111.6S122 Y124 K130S122-D126 VanDerWaalsContact C-OD2 3.23Å; S122-D126 WeakPolarHBondContact O-CB 3.49Å; S122-D126 PolarHBondContact O-N 3.41Å; S122-D126 PolarHBondContact OG-OD2 2.97Å; Y124-D126 VanDerWaalsContact C-N 3.32Å; Y124-D126 PolarHBondContact O-N 3.28Å; D126-K130 WeakPolarHBondContact O-CB 3.25Å; D126-K130 PolarHBondContact O-N 2.76Å
127S82.2Confident79.2Confident49 Ų4969.3 Ų69.334%0.34337%0.37SS..Hα-helixtrans-69.7-42.5174.9-59.70000112.3A123 Y124 R125 K130 M131A123-S127 WeakPolarHBondContact O-CB 3.3Å; A123-S127 PolarHBondContact O-N 2.89Å; A123-S127 PolarHBondContact O-OG 3.43Å; Y124-S127 WeakPolarHBondContact O-CB 3.48Å; Y124-S127 PolarHBondContact O-N 3.05Å; Y124-S127 VanDerWaalsContact O-N 3.17Å; R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 3.49Å; S127-K130 PolarHBondContact O-N 2.83Å; S127-M131 WeakPolarHBondContact O-CB 3.33Å; S127-M131 PolarHBondContact O-N 3.32Å
128V84.6Confident79.6Confident0 Ų070.1 Ų70.10%038%0.375CS..Hα-helixtrans-59-50173.4170.90000110.2F113 Y124 R125 K130 M131 L132 F164 V190 V194F113-V128 HydrophobicContact CE2-CG2 4.33Å; F113-V128 HydrophobicContact CZ-CG1 4.23Å; Y124-V128 HydrophobicContact CD1-CG2 4.15Å; Y124-V128 HydrophobicContact CE1-CG2 3.7Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 3.16Å; R125-V128 WeakPolarHBondContact O-CB 3.32Å; R125-V128 PolarHBondContact O-N 3.09Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 2.82Å; V128-M131 WeakPolarHBondContact O-CB 3.14Å; V128-M131 PolarHBondContact O-N 3.29Å; V128-L132 HydrophobicContact CG1-CD1 3.75Å; V128-L132 HydrophobicContact CG1-CG 4.36Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.06Å; V128-F164 HydrophobicContact CG1-CE1 3.82Å; V128-F164 HydrophobicContact CG1-CZ 4.17Å; V128-V190 HydrophobicContact CG1-CG1 3.71Å; V128-V190 HydrophobicContact CG2-CG1 4.4Å; V128-V194 HydrophobicContact CB-CG2 4.49Å; V128-V194 HydrophobicContact CG2-CB 4.24Å; V128-V194 HydrophobicContact CG2-CG1 4.15Å; V128-V194 HydrophobicContact CG2-CG2 3.79Å
129Y84.9Confident80.1Confident22 Ų2268.9 Ų68.99%0.08637%0.371CS..Hα-helixtrans-64.8-38.9179.1-64-48.7000112.5R125 M131 L132 T133 K161 F164 V165R125-Y129 HydrophobicContact CB-CD2 4.38Å; R125-Y129 HydrophobicContact CB-CE2 3.99Å; R125-Y129 PolarHBondContact NH2-OH 3.2Å; R125-Y129 WeakPolarHBondContact O-CD2 3.46Å; R125-Y129 PolarHBondContact O-N 2.88Å; Y129-M131 VanDerWaalsContact C-N 3.27Å; Y129-M131 PolarHBondContact O-N 3.47Å; Y129-L132 PolarHBondContact O-N 3.4Å; Y129-T133 VanDerWaalsContact O-CB 3.27Å; Y129-T133 WeakPolarHBondContact O-CB 3.25Å; Y129-T133 PolarHBondContact O-N 3.44Å; Y129-T133 PolarHBondContact O-OG1 3Å; Y129-K161 HydrophobicContact CD1-CB 4.36Å; Y129-K161 HydrophobicContact CD1-CG 3.91Å; Y129-K161 HydrophobicContact CE1-CB 3.98Å; Y129-K161 HydrophobicContact CE1-CG 4.06Å; Y129-K161 HydrophobicContact CG-CD 4.42Å; Y129-K161 HydrophobicContact CG-CG 4.19Å; Y129-K161 PolarHBondContact OH-O 3.35Å; Y129-K161 VanDerWaalsContact OH-O 3.05Å; Y129-F164 AromaticContact CE1-CD1 3.94Å; Y129-F164 HydrophobicContact CE1-CD1 3.94Å; Y129-V165 WeakPolarHBondContact OH-CG2 3.29Å
130K85.3Confident80.9Confident166 Ų16670.4 Ų70.472%0.72237%0.369SS*.Hα-helixtrans-63.1-37.2175.8-174.2178178.7-176.70111.5D126 S127 V128 N134D126-K130 WeakPolarHBondContact O-CB 3.25Å; D126-K130 PolarHBondContact O-N 2.76Å; S127-K130 PolarHBondContact O-N 2.83Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 2.82Å; K130-N134 WeakPolarHBondContact O-CB 3.38Å; K130-N134 PolarHBondContact O-N 2.82Å; K130-N134 VanDerWaalsContact O-N 3.12Å
131M82.9Confident82Confident28 Ų2866.4 Ų66.414%0.13835%0.348CS..Hα-helixtrans-68.5-46174.3-171.6179.968.200111.4S127 V128 Y129 T133 N134 S137 I141 V190 V194S127-M131 WeakPolarHBondContact O-CB 3.33Å; S127-M131 PolarHBondContact O-N 3.32Å; V128-M131 WeakPolarHBondContact O-CB 3.14Å; V128-M131 PolarHBondContact O-N 3.29Å; Y129-M131 VanDerWaalsContact C-N 3.27Å; Y129-M131 PolarHBondContact O-N 3.47Å; M131-T133 VanDerWaalsContact C-N 3.31Å; M131-T133 PolarHBondContact O-N 2.85Å; M131-N134 PolarHBondContact O-N 3.48Å; M131-S137 VanDerWaalsContact O-CB 3.23Å; M131-S137 WeakPolarHBondContact O-CB 3.3Å; M131-I141 HydrophobicContact CE-CD1 4.32Å; M131-V190 HydrophobicContact CE-CB 3.91Å; M131-V190 HydrophobicContact CE-CG1 3.59Å; M131-V190 HydrophobicContact CE-CG2 3.81Å; M131-V194 HydrophobicContact CE-CG2 3.44Å; M131-V194 VanDerWaalsContact CE-CG2 3.44Å; M131-V194 HydrophobicContact SD-CG2 3.76Å
132L83.1Confident83Confident5 Ų561.1 Ų61.13%0.02632%0.32CS..Hα-helixtrans-67.9-29.1178.1-67.2172.4000113.1V128 Y129 L138 I141 L158 F164 V190V128-L132 HydrophobicContact CG1-CD1 3.75Å; V128-L132 HydrophobicContact CG1-CG 4.36Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.06Å; Y129-L132 PolarHBondContact O-N 3.4Å; L132-L138 WeakPolarHBondContact O-CD1 3.23Å; L132-I141 HydrophobicContact CD2-CD1 4Å; L132-L158 HydrophobicContact CD2-CB 4.45Å; L132-L158 HydrophobicContact CD2-CD2 4.27Å; L132-F164 HydrophobicContact CD1-CD1 4.41Å; L132-F164 HydrophobicContact CD1-CD2 4.19Å; L132-F164 HydrophobicContact CD1-CE1 4.09Å; L132-F164 HydrophobicContact CD1-CE2 3.87Å; L132-F164 HydrophobicContact CD1-CG 4.44Å; L132-F164 HydrophobicContact CD1-CZ 3.8Å; L132-V190 HydrophobicContact CD2-CG2 3.8Å
133T86Confident83.6Confident105 Ų10562.8 Ų62.864%0.64433%0.326SS*.Hα-helixtrans-78.8-24.7175.7-52.60000111.9Y129 M131 K135Y129-T133 VanDerWaalsContact O-CB 3.27Å; Y129-T133 WeakPolarHBondContact O-CB 3.25Å; Y129-T133 PolarHBondContact O-N 3.44Å; Y129-T133 PolarHBondContact O-OG1 3Å; M131-T133 VanDerWaalsContact C-N 3.31Å; M131-T133 PolarHBondContact O-N 2.85Å; T133-K135 PolarHBondContact O-N 3.34Å
134N88.5Confident83.6Confident71 Ų7162.8 Ų62.838%0.3833%0.326SS..  trans-74.1119.8178.3-174.8-10000110.1K130 M131 E136 S137 L138K130-N134 WeakPolarHBondContact O-CB 3.38Å; K130-N134 PolarHBondContact O-N 2.82Å; K130-N134 VanDerWaalsContact O-N 3.12Å; M131-N134 PolarHBondContact O-N 3.48Å; N134-E136 VanDerWaalsContact C-N 3.27Å; N134-E136 PolarHBondContact O-N 2.95Å; N134-E136 PolarHBondContact OD1-N 3.49Å; N134-S137 PolarHBondContact O-N 2.83Å; N134-L138 WeakPolarHBondContact O-CB 3.16Å; N134-L138 PolarHBondContact O-N 3.22Å
135K83.8Confident83.4Confident160 Ų16062.6 Ų62.670%0.69633%0.326SS*.Hα-helixtrans-56.4-39.7179.3-170.5-178.7174.8-179.40112.8T133 D139T133-K135 PolarHBondContact O-N 3.34Å; K135-D139 VanDerWaalsContact O-CB 3.32Å; K135-D139 WeakPolarHBondContact O-CB 3.18Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 2.71Å
136E86.9Confident83Confident126 Ų12664.1 Ų64.159%0.58934%0.344SS*.Hα-helixtrans-67-44.8179.8-176.7-175.4-177.200111.7N134 D139 Q140N134-E136 VanDerWaalsContact C-N 3.27Å; N134-E136 PolarHBondContact O-N 2.95Å; N134-E136 PolarHBondContact OD1-N 3.49Å; E136-D139 PolarHBondContact O-N 2.89Å; E136-Q140 VanDerWaalsContact O-CG 3.32Å; E136-Q140 WeakPolarHBondContact O-CG 3.23Å; E136-Q140 PolarHBondContact O-N 3.4Å
137S85Confident82.6Confident24 Ų2461.5 Ų61.517%0.16834%0.337CS..Hα-helixtrans-69.2-37.5178.9-55.90000111.8M131 N134 Q140 I141M131-S137 VanDerWaalsContact O-CB 3.23Å; M131-S137 WeakPolarHBondContact O-CB 3.3Å; N134-S137 PolarHBondContact O-N 2.83Å; S137-Q140 WeakPolarHBondContact O-CB 3.37Å; S137-Q140 PolarHBondContact O-N 2.82Å; S137-I141 VanDerWaalsContact O-CG1 3.31Å; S137-I141 WeakPolarHBondContact O-CG1 3.19Å; S137-I141 PolarHBondContact O-N 3.34Å
138L83.9Confident82.3Confident19 Ų1959.2 Ų59.210%0.09932%0.321CS..Hα-helixtrans-64.8-43.4173.3-170157.1000110.8L132 N134 Q140 I141 I142 L155 Q159L132-L138 WeakPolarHBondContact O-CD1 3.23Å; N134-L138 WeakPolarHBondContact O-CB 3.16Å; N134-L138 PolarHBondContact O-N 3.22Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.49Å; L138-I141 PolarHBondContact O-N 3.46Å; L138-I141 VanDerWaalsContact O-N 3.12Å; L138-I142 HydrophobicContact CD2-CD1 3.3Å; L138-I142 HydrophobicContact CD2-CG1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.91Å; L138-L155 HydrophobicContact CD2-CD2 4.35Å; L138-Q159 HydrophobicContact CD1-CG 4.02Å
139D84.4Confident82Confident75 Ų7566.7 Ų66.740%0.40135%0.349SS..Hα-helixtrans-61-38.7174.6-77.7-29.4000111.3K135 E136 I141 I142 V143K135-D139 VanDerWaalsContact O-CB 3.32Å; K135-D139 WeakPolarHBondContact O-CB 3.18Å; K135-D139 VanDerWaalsContact O-CG 3.24Å; K135-D139 PolarHBondContact O-N 2.71Å; E136-D139 PolarHBondContact O-N 2.89Å; D139-I141 PolarHBondContact O-N 2.8Å; D139-I142 PolarHBondContact O-N 3.43Å; D139-V143 WeakPolarHBondContact O-CB 3.32Å; D139-V143 VanDerWaalsContact O-CG2 3.25Å; D139-V143 WeakPolarHBondContact O-CG2 3.4Å; D139-V143 PolarHBondContact O-N 2.88Å
140Q84.3Confident81.6Confident116 Ų11669 Ų6954%0.54237%0.368SS..Hα-helixtrans-62.4-39.7173.1-71.7173.524.800112.4E136 S137 L138 V143 A144E136-Q140 VanDerWaalsContact O-CG 3.32Å; E136-Q140 WeakPolarHBondContact O-CG 3.23Å; E136-Q140 PolarHBondContact O-N 3.4Å; S137-Q140 WeakPolarHBondContact O-CB 3.37Å; S137-Q140 PolarHBondContact O-N 2.82Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 3.49Å; Q140-V143 PolarHBondContact O-N 3.43Å; Q140-A144 WeakPolarHBondContact O-CB 3.38Å; Q140-A144 PolarHBondContact O-N 3.39Å
141I82.7Confident81.4Confident9 Ų962.2 Ų62.25%0.04634%0.34CS..Hα-helixtrans-68.3-41175.9-65.1160.9000110.9M131 L132 S137 L138 D139 V143 A144 T145 L148 A186 V190M131-I141 HydrophobicContact CE-CD1 4.32Å; L132-I141 HydrophobicContact CD2-CD1 4Å; S137-I141 VanDerWaalsContact O-CG1 3.31Å; S137-I141 WeakPolarHBondContact O-CG1 3.19Å; S137-I141 PolarHBondContact O-N 3.34Å; L138-I141 PolarHBondContact O-N 3.46Å; L138-I141 VanDerWaalsContact O-N 3.12Å; D139-I141 PolarHBondContact O-N 2.8Å; I141-V143 VanDerWaalsContact C-N 3.33Å; I141-V143 PolarHBondContact O-N 3.06Å; I141-A144 PolarHBondContact O-N 3Å; I141-T145 PolarHBondContact O-N 3.35Å; I141-L148 HydrophobicContact CG2-CD2 4.06Å; I141-A186 HydrophobicContact CG2-CB 3.93Å; I141-V190 HydrophobicContact CD1-CG2 3.68Å; I141-V190 HydrophobicContact CG1-CG2 4.48Å
142I83.1Confident81.2Confident20 Ų2065.6 Ų65.610%0.10336%0.364CS..Hα-helixtrans-62.8-40.6175-69.9176.8000111L138 D139 A144 T145 P146 L148 R149 L155L138-I142 HydrophobicContact CD2-CD1 3.3Å; L138-I142 HydrophobicContact CD2-CG1 3.87Å; L138-I142 WeakPolarHBondContact O-CG1 3.24Å; L138-I142 PolarHBondContact O-N 2.91Å; D139-I142 PolarHBondContact O-N 3.43Å; I142-A144 VanDerWaalsContact C-N 3.34Å; I142-T145 CarbonylContact O-C 3.5Å; I142-T145 PolarHBondContact O-N 2.9Å; I142-T145 VanDerWaalsContact O-O 3.07Å; I142-P146 WeakPolarHBondContact O-CA 3.36Å; I142-L148 HydrophobicContact CG1-CD2 3.96Å; I142-L148 HydrophobicContact CG1-CG 4.44Å; I142-R149 HydrophobicContact CG2-CB 4.1Å; I142-L155 HydrophobicContact CD1-CD2 3.9Å; I142-L155 HydrophobicContact CG1-CD2 4.13Å
143V82.3Confident81.1Confident114 Ų11469 Ų6969%0.69139%0.385SS*.Hα-helixtrans-65.9-40.3176.7169.80000110.9D139 Q140 I141D139-V143 WeakPolarHBondContact O-CB 3.32Å; D139-V143 VanDerWaalsContact O-CG2 3.25Å; D139-V143 WeakPolarHBondContact O-CG2 3.4Å; D139-V143 PolarHBondContact O-N 2.88Å; Q140-V143 PolarHBondContact O-N 3.43Å; I141-V143 VanDerWaalsContact C-N 3.33Å; I141-V143 PolarHBondContact O-N 3.06Å
144A77.3Confident81Confident57 Ų5764.1 Ų64.147%0.47136%0.355SS..Hα-helixtrans-72.7-27.5177.600000113.2Q140 I141 I142 L189Q140-A144 WeakPolarHBondContact O-CB 3.38Å; Q140-A144 PolarHBondContact O-N 3.39Å; I141-A144 PolarHBondContact O-N 3Å; I142-A144 VanDerWaalsContact C-N 3.34Å; A144-L189 HydrophobicContact CB-CD1 3.7Å
145T78.1Confident80.7Confident8 Ų862.3 Ų62.35%0.04935%0.345CS..  trans-127.281176.4-54.20000109.7I141 I142 G147 L148 A182 N185 L189I141-T145 PolarHBondContact O-N 3.35Å; I142-T145 CarbonylContact O-C 3.5Å; I142-T145 PolarHBondContact O-N 2.9Å; I142-T145 VanDerWaalsContact O-O 3.07Å; T145-G147 PolarHBondContact O-N 3Å; T145-G147 VanDerWaalsContact O-N 3.11Å; T145-L148 HydrophobicContact CG2-CB 4.26Å; T145-L148 WeakPolarHBondContact O-CB 3.47Å; T145-L148 PolarHBondContact O-N 2.73Å; T145-A182 HydrophobicContact CG2-CB 4.13Å; T145-N185 HydrophobicContact CG2-CB 4.05Å; T145-L189 WeakPolarHBondContact OG1-CD1 3.32Å
146P72Confident80.6Confident89 Ų8956.2 Ų56.258%0.57833%0.328SS*.G310 helixtrans-60.7-26.7-176.123-33.4000113I142 L148 R149I142-P146 WeakPolarHBondContact O-CA 3.36Å; P146-L148 PolarHBondContact O-N 3.03Å; P146-L148 VanDerWaalsContact O-N 3.14Å; P146-R149 WeakPolarHBondContact O-CB 3.3Å; P146-R149 PolarHBondContact O-N 3.41Å
147G73.8Confident80.6Confident29 Ų2950.3 Ų50.330%0.29930%0.3SS..G310 helixtrans-61.1-19.3174.200000114.2T145 R149 S150 A182T145-G147 PolarHBondContact O-N 3Å; T145-G147 VanDerWaalsContact O-N 3.11Å; G147-R149 VanDerWaalsContact C-N 3.34Å; G147-S150 PolarHBondContact O-N 2.68Å; G147-A182 VanDerWaalsContact C-CB 3.44Å
148L76.4Confident80.5Confident1 Ų149.3 Ų49.31%0.00529%0.293CS..G310 helixtrans-72-28.7175.4-173.663.5000112I141 I142 T145 P146 S150 D151 A154 L155 L158 A186I141-L148 HydrophobicContact CG2-CD2 4.06Å; I142-L148 HydrophobicContact CG1-CD2 3.96Å; I142-L148 HydrophobicContact CG1-CG 4.44Å; T145-L148 HydrophobicContact CG2-CB 4.26Å; T145-L148 WeakPolarHBondContact O-CB 3.47Å; T145-L148 PolarHBondContact O-N 2.73Å; P146-L148 PolarHBondContact O-N 3.03Å; P146-L148 VanDerWaalsContact O-N 3.14Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 2.92Å; L148-D151 PolarHBondContact O-N 2.86Å; L148-A154 HydrophobicContact CD1-CB 3.51Å; L148-L155 HydrophobicContact CD1-CD2 4.14Å; L148-L155 HydrophobicContact CD1-CG 4.05Å; L148-L155 HydrophobicContact CD2-CD2 3.87Å; L148-L155 HydrophobicContact CG-CD2 3.65Å; L148-L155 HydrophobicContact CG-CG 3.89Å; L148-L155 VanDerWaalsContact O-CD1 3.32Å; L148-L155 WeakPolarHBondContact O-CD1 3.32Å; L148-L155 WeakPolarHBondContact O-CG 3.32Å; L148-L158 HydrophobicContact CD1-CD1 3.66Å; L148-L158 HydrophobicContact CD2-CD1 3.44Å; L148-L158 VanDerWaalsContact CD2-CD1 3.44Å; L148-L158 HydrophobicContact CG-CD1 4.17Å; L148-A186 HydrophobicContact CD2-CB 4.19Å
149R77.3Confident80.5Confident157 Ų15754.3 Ų54.359%0.59232%0.315SS*.THydrogen-bonded Turntrans-65.9-34.1176.3-177.2178.3-69.9179.8-1.5112E93 I142 P146 G147 D151E93-R149 IonicContact OE1-NH1 2.59Å; I142-R149 HydrophobicContact CG2-CB 4.1Å; P146-R149 WeakPolarHBondContact O-CB 3.3Å; P146-R149 PolarHBondContact O-N 3.41Å; G147-R149 VanDerWaalsContact C-N 3.34Å; R149-D151 VanDerWaalsContact C-N 3.3Å
150S76.1Confident80.6Confident71 Ų7154.5 Ų54.550%0.49732%0.317SS..THydrogen-bonded Turntrans-81.3-12.3-179.3-52.70000112.9G147 L148 P152G147-S150 PolarHBondContact O-N 2.68Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 2.92Å; S150-P152 WeakPolarHBondContact O-CD 3.38Å
151D82.2Confident80.4Confident23 Ų2354.3 Ų54.312%0.12331%0.314CS..  trans-115.692.1-175.1-171.5-11.6000111.7L148 R149 V153 A154 L155 H180L148-D151 PolarHBondContact O-N 2.86Å; R149-D151 VanDerWaalsContact C-N 3.3Å; D151-V153 PolarHBondContact O-N 3.03Å; D151-V153 WeakPolarHBondContact OD1-CB 3.39Å; D151-V153 PolarHBondContact OD1-N 3.41Å; D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 VanDerWaalsContact CG-CB 3.4Å; D151-A154 PolarHBondContact O-N 3.44Å; D151-A154 PolarHBondContact OD1-N 3.27Å; D151-A154 VanDerWaalsContact OD2-CB 3.32Å; D151-A154 WeakPolarHBondContact OD2-CB 3.4Å; D151-L155 PolarHBondContact O-N 3.1Å; D151-L155 VanDerWaalsContact O-N 3.16Å; D151-H180 IonicContact OD1-CE1 3.16Å; D151-H180 IonicContact OD1-ND1 3Å; D151-H180 PolarHBondContact OD1-ND1 3.04Å; D151-H180 IonicContact OD2-CE1 3.25Å; D151-H180 IonicContact OD2-CG 3.96Å; D151-H180 IonicContact OD2-ND1 2.73Å; D151-H180 PolarHBondContact OD2-ND1 2.82Å
152P77.8Confident80.2Confident99 Ų9960.3 Ų60.364%0.64335%0.346SS*.Hα-helixtrans-67.6-23.3179.528.3-34.8000112.7S150 G156S150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-G156 PolarHBondContact O-N 2.86Å
153V81.5Confident80.2Confident77 Ų7762.6 Ų62.647%0.46736%0.358SS..Hα-helixtrans-71.1-47.5177.61800000109D151 L155 G156 V157D151-V153 PolarHBondContact O-N 3.03Å; D151-V153 WeakPolarHBondContact OD1-CB 3.39Å; D151-V153 PolarHBondContact OD1-N 3.41Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 2.98Å; V153-G156 PolarHBondContact O-N 2.8Å; V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 3.46Å
154A83.3Confident80.2Confident1 Ų157.2 Ų57.21%0.00833%0.325CS..Hα-helixtrans-60.5-40.617600000112.6L148 D151 V157 L158 L183L148-A154 HydrophobicContact CD1-CB 3.51Å; D151-A154 HydrophobicContact CB-CB 3.9Å; D151-A154 VanDerWaalsContact CG-CB 3.4Å; D151-A154 PolarHBondContact O-N 3.44Å; D151-A154 PolarHBondContact OD1-N 3.27Å; D151-A154 VanDerWaalsContact OD2-CB 3.32Å; D151-A154 WeakPolarHBondContact OD2-CB 3.4Å; A154-V157 PolarHBondContact O-N 3.4Å; A154-L158 WeakPolarHBondContact O-CG 3.32Å; A154-L158 PolarHBondContact O-N 3.05Å; A154-L183 HydrophobicContact CB-CB 3.79Å; A154-L183 HydrophobicContact CB-CD1 4.08Å; A154-L183 HydrophobicContact CB-CG 4.49Å
155L83.3Confident80.4Confident34 Ų3455.5 Ų55.518%0.17831%0.309CS..Hα-helixtrans-62.6-41.4174.3-80169.8000112.7L138 I142 L148 D151 V153 L158 Q159L138-L155 HydrophobicContact CD2-CD2 4.35Å; I142-L155 HydrophobicContact CD1-CD2 3.9Å; I142-L155 HydrophobicContact CG1-CD2 4.13Å; L148-L155 HydrophobicContact CD1-CD2 4.14Å; L148-L155 HydrophobicContact CD1-CG 4.05Å; L148-L155 HydrophobicContact CD2-CD2 3.87Å; L148-L155 HydrophobicContact CG-CD2 3.65Å; L148-L155 HydrophobicContact CG-CG 3.89Å; L148-L155 VanDerWaalsContact O-CD1 3.32Å; L148-L155 WeakPolarHBondContact O-CD1 3.32Å; L148-L155 WeakPolarHBondContact O-CG 3.32Å; D151-L155 PolarHBondContact O-N 3.1Å; D151-L155 VanDerWaalsContact O-N 3.16Å; V153-L155 VanDerWaalsContact C-N 3.32Å; V153-L155 PolarHBondContact O-N 2.98Å; L155-L158 PolarHBondContact O-N 3.36Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 3.43Å; L155-Q159 VanDerWaalsContact O-N 3.17Å
156G82.1Confident80.4Confident32 Ų3260.4 Ų60.433%0.3333%0.331SS..Hα-helixtrans-62-43.4175.700000112.2P152 V153 L158 Q159 D160P152-G156 PolarHBondContact O-N 2.86Å; V153-G156 PolarHBondContact O-N 2.8Å; G156-L158 VanDerWaalsContact C-N 3.33Å; G156-L158 PolarHBondContact O-N 3.47Å; G156-Q159 PolarHBondContact O-N 3.25Å; G156-D160 PolarHBondContact O-N 2.67Å
157V85.6Confident80.5Confident2 Ų258.2 Ų58.21%0.01231%0.313CS..Hα-helixtrans-63.3-37.7176.8177.40000112.1V153 A154 Q159 L163 F164 F167 L183V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 3.46Å; A154-V157 PolarHBondContact O-N 3.4Å; V157-Q159 VanDerWaalsContact C-N 3.32Å; V157-Q159 PolarHBondContact O-N 2.91Å; V157-L163 HydrophobicContact CB-CD2 4.27Å; V157-L163 HydrophobicContact CB-CG 4.48Å; V157-L163 HydrophobicContact CG1-CG 4.37Å; V157-L163 HydrophobicContact CG2-CD2 3.62Å; V157-L163 HydrophobicContact CG2-CG 4.02Å; V157-F164 WeakPolarHBondContact O-CA 3.32Å; V157-F164 WeakPolarHBondContact O-CB 3.44Å; V157-F164 PolarHBondContact O-N 2.99Å; V157-F167 HydrophobicContact CG1-CB 3.53Å; V157-F167 HydrophobicContact CG1-CD1 3.91Å; V157-F167 HydrophobicContact CG1-CD2 4.11Å; V157-F167 HydrophobicContact CG1-CG 3.57Å; V157-F167 HydrophobicContact CG2-CD1 3.94Å; V157-F167 HydrophobicContact CG2-CD2 4.37Å; V157-F167 HydrophobicContact CG2-CE1 3.96Å; V157-F167 HydrophobicContact CG2-CE2 4.38Å; V157-F167 HydrophobicContact CG2-CG 4.17Å; V157-F167 HydrophobicContact CG2-CZ 4.18Å; V157-L183 HydrophobicContact CB-CD1 3.71Å; V157-L183 HydrophobicContact CG1-CD1 3.67Å; V157-L183 HydrophobicContact CG2-CD1 4.18Å
158L83.1Confident80.6Confident3 Ų356.8 Ų56.82%0.01630%0.299CS..Hα-helixtrans-69.8-27.4176.9-71.5176.3000113.4L132 L148 A154 L155 G156 F164 A186 I187L132-L158 HydrophobicContact CD2-CB 4.45Å; L132-L158 HydrophobicContact CD2-CD2 4.27Å; L148-L158 HydrophobicContact CD1-CD1 3.66Å; L148-L158 HydrophobicContact CD2-CD1 3.44Å; L148-L158 VanDerWaalsContact CD2-CD1 3.44Å; L148-L158 HydrophobicContact CG-CD1 4.17Å; A154-L158 WeakPolarHBondContact O-CG 3.32Å; A154-L158 PolarHBondContact O-N 3.05Å; L155-L158 PolarHBondContact O-N 3.36Å; G156-L158 VanDerWaalsContact C-N 3.33Å; G156-L158 PolarHBondContact O-N 3.47Å; L158-F164 HydrophobicContact CD2-CD2 3.92Å; L158-F164 HydrophobicContact CD2-CE2 3.51Å; L158-A186 HydrophobicContact CD1-CB 3.9Å; L158-I187 HydrophobicContact CD2-CG1 4.35Å
159Q84.2Confident80.9Confident123 Ų12358.6 Ų58.658%0.57531%0.308SS*.Hα-helixtrans-87.3-30.4-178.8-72179.5-0.500113.1L138 L155 G156 V157L138-Q159 HydrophobicContact CD1-CG 4.02Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 3.43Å; L155-Q159 VanDerWaalsContact O-N 3.17Å; G156-Q159 PolarHBondContact O-N 3.25Å; V157-Q159 VanDerWaalsContact C-N 3.32Å; V157-Q159 PolarHBondContact O-N 2.91Å
160D85.9Confident80.7Confident79 Ų7953.4 Ų53.442%0.42230%0.295SS..  trans-86123.6-179.7-171.8-50.8000111.3G156 D162 L163 F164G156-D160 PolarHBondContact O-N 2.67Å; D160-D162 PolarHBondContact O-N 2.95Å; D160-D162 PolarHBondContact OD1-N 3.05Å; D160-L163 HydrophobicContact CB-CB 3.72Å; D160-L163 PolarHBondContact OD1-N 3.16Å; D160-F164 WeakPolarHBondContact O-CB 3.28Å; D160-F164 PolarHBondContact O-N 3.36Å
161K79.7Confident80.9Confident113 Ų11357.2 Ų57.249%0.49131%0.31SS..Hα-helixtrans-66.6-35.6-174.6-66.5-175.8174.8-176.60113.7Y129 V165Y129-K161 HydrophobicContact CD1-CB 4.36Å; Y129-K161 HydrophobicContact CD1-CG 3.91Å; Y129-K161 HydrophobicContact CE1-CB 3.98Å; Y129-K161 HydrophobicContact CE1-CG 4.06Å; Y129-K161 HydrophobicContact CG-CD 4.42Å; Y129-K161 HydrophobicContact CG-CG 4.19Å; Y129-K161 PolarHBondContact OH-O 3.35Å; Y129-K161 VanDerWaalsContact OH-O 3.05Å; K161-V165 WeakPolarHBondContact O-CG2 3.35Å
162D80.3Confident80.7Confident134 Ų13458.6 Ų58.672%0.71732%0.316SS*.Hα-helixtrans-85.2-41.1-175.7-65-40.2000109.5D160 F164 V165 Q166D160-D162 PolarHBondContact O-N 2.95Å; D160-D162 PolarHBondContact OD1-N 3.05Å; D162-F164 VanDerWaalsContact C-N 3.34Å; D162-F164 PolarHBondContact O-N 3.06Å; D162-V165 PolarHBondContact O-N 3.31Å; D162-Q166 PolarHBondContact O-N 2.98Å
163L82Confident80.7Confident68 Ų6854.3 Ų54.336%0.35629%0.288SS..Hα-helixtrans-64.2-41.4175.6-155.463.4000111.2V157 D160 V165 Q166 F167V157-L163 HydrophobicContact CB-CD2 4.27Å; V157-L163 HydrophobicContact CB-CG 4.48Å; V157-L163 HydrophobicContact CG1-CG 4.37Å; V157-L163 HydrophobicContact CG2-CD2 3.62Å; V157-L163 HydrophobicContact CG2-CG 4.02Å; D160-L163 HydrophobicContact CB-CB 3.72Å; D160-L163 PolarHBondContact OD1-N 3.16Å; L163-V165 VanDerWaalsContact C-N 3.26Å; L163-V165 PolarHBondContact O-N 3.4Å; L163-Q166 PolarHBondContact O-N 3.26Å; L163-F167 HydrophobicContact CD1-CD2 3.83Å; L163-F167 HydrophobicContact CD1-CE2 3.44Å; L163-F167 VanDerWaalsContact CD1-CE2 3.44Å; L163-F167 HydrophobicContact CD1-CZ 4.47Å; L163-F167 HydrophobicContact CD2-CE2 4.44Å; L163-F167 HydrophobicContact CG-CD2 3.76Å; L163-F167 HydrophobicContact CG-CE2 3.7Å; L163-F167 WeakPolarHBondContact O-CB 3.41Å; L163-F167 WeakPolarHBondContact O-CD2 3.32Å; L163-F167 PolarHBondContact O-N 3.07Å
164F81.8Confident80.5Confident1 Ų154.6 Ų54.60%0.00429%0.287CS..Hα-helixtrans-56.3-41.4177-173.9-108.5000112.3F113 L117 V128 Y129 L132 V157 L158 D160 D162 T168 I187F113-F164 AromaticContact CE1-CE1 3.64Å; F113-F164 HydrophobicContact CE1-CE1 3.64Å; F113-F164 AromaticContact CE1-CZ 3.48Å; F113-F164 HydrophobicContact CE1-CZ 3.48Å; F113-F164 VanDerWaalsContact CE1-CZ 3.48Å; F113-F164 AromaticContact CZ-CE1 3.61Å; F113-F164 HydrophobicContact CZ-CE1 3.61Å; F113-F164 AromaticContact CZ-CZ 3.48Å; F113-F164 HydrophobicContact CZ-CZ 3.48Å; F113-F164 VanDerWaalsContact CZ-CZ 3.48Å; L117-F164 HydrophobicContact CD1-CD1 4.39Å; L117-F164 HydrophobicContact CD1-CE1 3.98Å; L117-F164 HydrophobicContact CD2-CE1 4.49Å; V128-F164 HydrophobicContact CG1-CE1 3.82Å; V128-F164 HydrophobicContact CG1-CZ 4.17Å; Y129-F164 AromaticContact CE1-CD1 3.94Å; Y129-F164 HydrophobicContact CE1-CD1 3.94Å; L132-F164 HydrophobicContact CD1-CD1 4.41Å; L132-F164 HydrophobicContact CD1-CD2 4.19Å; L132-F164 HydrophobicContact CD1-CE1 4.09Å; L132-F164 HydrophobicContact CD1-CE2 3.87Å; L132-F164 HydrophobicContact CD1-CG 4.44Å; L132-F164 HydrophobicContact CD1-CZ 3.8Å; V157-F164 WeakPolarHBondContact O-CA 3.32Å; V157-F164 WeakPolarHBondContact O-CB 3.44Å; V157-F164 PolarHBondContact O-N 2.99Å; L158-F164 HydrophobicContact CD2-CD2 3.92Å; L158-F164 HydrophobicContact CD2-CE2 3.51Å; D160-F164 WeakPolarHBondContact O-CB 3.28Å; D160-F164 PolarHBondContact O-N 3.36Å; D162-F164 VanDerWaalsContact C-N 3.34Å; D162-F164 PolarHBondContact O-N 3.06Å; F164-T168 HydrophobicContact CD1-CG2 4.43Å; F164-T168 HydrophobicContact CE1-CG2 4.22Å; F164-T168 HydrophobicContact CE2-CG2 4.42Å; F164-T168 HydrophobicContact CZ-CG2 4.22Å; F164-T168 WeakPolarHBondContact O-CG2 3.44Å; F164-T168 PolarHBondContact O-N 3.03Å; F164-T168 PolarHBondContact O-OG1 2.87Å; F164-I187 HydrophobicContact CE2-CD1 4.28Å; F164-I187 HydrophobicContact CE2-CG1 3.88Å; F164-I187 HydrophobicContact CZ-CG1 4.32Å
165V81.4Confident80.3Confident22 Ų2259.7 Ų59.713%0.13331%0.313CS..Hα-helixtrans-69.7-45.6-178.5178.40000110.7Y129 K161 D162 L163 F167 T168Y129-V165 WeakPolarHBondContact OH-CG2 3.29Å; K161-V165 WeakPolarHBondContact O-CG2 3.35Å; D162-V165 PolarHBondContact O-N 3.31Å; L163-V165 VanDerWaalsContact C-N 3.26Å; L163-V165 PolarHBondContact O-N 3.4Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.31Å; V165-T168 WeakPolarHBondContact CA-OG1 3.34Å; V165-T168 PolarHBondContact O-N 3.49Å; V165-T168 VanDerWaalsContact O-N 3.12Å; V165-T168 PolarHBondContact O-OG1 3.33Å
166Q78.5Confident80.1Confident110 Ų11058.2 Ų58.251%0.51431%0.305SS..Hα-helixtrans-63.6-38.4178.6-164.970.958.900111.8D162 L163 T168 D169D162-Q166 PolarHBondContact O-N 2.98Å; L163-Q166 PolarHBondContact O-N 3.26Å; Q166-T168 PolarHBondContact O-N 3.42Å; Q166-D169 PolarHBondContact NE2-OD2 2.98Å; Q166-D169 WeakPolarHBondContact O-CB 3.22Å; Q166-D169 VanDerWaalsContact O-CG 3.22Å; Q166-D169 PolarHBondContact O-N 3.41Å
167F75.3Confident79.9Confident43 Ų4358.2 Ų58.219%0.18930%0.297CS..Hα-helixtrans-76.1-14.9178.4-84.1-112.2000112.5F110 V157 L163 V165 D169 M172 L176F110-F167 VanDerWaalsContact CZ-O 3.23Å; F110-F167 WeakPolarHBondContact CZ-O 3.38Å; V157-F167 HydrophobicContact CG1-CB 3.53Å; V157-F167 HydrophobicContact CG1-CD1 3.91Å; V157-F167 HydrophobicContact CG1-CD2 4.11Å; V157-F167 HydrophobicContact CG1-CG 3.57Å; V157-F167 HydrophobicContact CG2-CD1 3.94Å; V157-F167 HydrophobicContact CG2-CD2 4.37Å; V157-F167 HydrophobicContact CG2-CE1 3.96Å; V157-F167 HydrophobicContact CG2-CE2 4.38Å; V157-F167 HydrophobicContact CG2-CG 4.17Å; V157-F167 HydrophobicContact CG2-CZ 4.18Å; L163-F167 HydrophobicContact CD1-CD2 3.83Å; L163-F167 HydrophobicContact CD1-CE2 3.44Å; L163-F167 VanDerWaalsContact CD1-CE2 3.44Å; L163-F167 HydrophobicContact CD1-CZ 4.47Å; L163-F167 HydrophobicContact CD2-CE2 4.44Å; L163-F167 HydrophobicContact CG-CD2 3.76Å; L163-F167 HydrophobicContact CG-CE2 3.7Å; L163-F167 WeakPolarHBondContact O-CB 3.41Å; L163-F167 WeakPolarHBondContact O-CD2 3.32Å; L163-F167 PolarHBondContact O-N 3.07Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.31Å; F167-D169 PolarHBondContact O-N 2.96Å; F167-M172 HydrophobicContact CD1-SD 3.94Å; F167-M172 HydrophobicContact CD2-SD 4.3Å; F167-M172 HydrophobicContact CE1-SD 4.08Å; F167-M172 HydrophobicContact CE2-SD 4.44Å; F167-M172 HydrophobicContact CG-SD 4.04Å; F167-M172 HydrophobicContact CZ-SD 4.34Å; F167-L176 HydrophobicContact CB-CD1 4.45Å; F167-L176 HydrophobicContact CD1-CD1 4.24Å; F167-L176 HydrophobicContact CD1-CD2 3.49Å; F167-L176 VanDerWaalsContact CD1-CD2 3.49Å; F167-L176 HydrophobicContact CD1-CG 4.44Å; F167-L176 HydrophobicContact CE1-CD2 3.82Å; F167-L176 WeakPolarHBondContact O-CD1 3.34Å
168T75.9Confident79.5Confident0 Ų062.9 Ų62.90%033%0.33CS..THydrogen-bonded Turntrans-82.55.8172.556.30000114.3F110 F113 H114 L117 F164 V165 Q166 I187F110-T168 WeakPolarHBondContact CD1-O 3.26Å; F110-T168 VanDerWaalsContact CE1-CA 3.49Å; F110-T168 WeakPolarHBondContact CE1-O 3.4Å; F113-T168 HydrophobicContact CD1-CG2 3.77Å; F113-T168 HydrophobicContact CE1-CG2 3.52Å; H114-T168 WeakPolarHBondContact CB-O 3.19Å; H114-T168 PolarHBondContact CD2-O 3.12Å; H114-T168 VanDerWaalsContact CD2-O 3.26Å; L117-T168 HydrophobicContact CD1-CG2 3.84Å; L117-T168 WeakPolarHBondContact CD1-OG1 3.45Å; F164-T168 HydrophobicContact CD1-CG2 4.43Å; F164-T168 HydrophobicContact CE1-CG2 4.22Å; F164-T168 HydrophobicContact CE2-CG2 4.42Å; F164-T168 HydrophobicContact CZ-CG2 4.22Å; F164-T168 WeakPolarHBondContact O-CG2 3.44Å; F164-T168 PolarHBondContact O-N 3.03Å; F164-T168 PolarHBondContact O-OG1 2.87Å; V165-T168 WeakPolarHBondContact CA-OG1 3.34Å; V165-T168 PolarHBondContact O-N 3.49Å; V165-T168 VanDerWaalsContact O-N 3.12Å; V165-T168 PolarHBondContact O-OG1 3.33Å; Q166-T168 PolarHBondContact O-N 3.42Å; T168-I187 HydrophobicContact CG2-CD1 4.05Å
169D81.1Confident79.2Confident38 Ų3865.3 Ų65.320%0.20335%0.347CS..  trans-67.7131.7176.3-73.1-30.2000112.1H114 Q166 F167 N171 M172 L173H114-D169 IonicContact CD2-OD1 3.37Å; H114-D169 IonicContact NE2-OD1 3.69Å; H114-D169 PolarHBondContact NE2-OD1 3.07Å; Q166-D169 PolarHBondContact NE2-OD2 2.98Å; Q166-D169 WeakPolarHBondContact O-CB 3.22Å; Q166-D169 VanDerWaalsContact O-CG 3.22Å; Q166-D169 PolarHBondContact O-N 3.41Å; F167-D169 PolarHBondContact O-N 2.96Å; D169-N171 PolarHBondContact O-N 3.33Å; D169-N171 VanDerWaalsContact O-N 3.14Å; D169-M172 HydrophobicContact CB-CB 4.49Å; D169-M172 PolarHBondContact O-N 3.38Å; D169-L173 PolarHBondContact O-N 3.45Å
170P74.8Confident79.1Confident49 Ų4961.4 Ų61.432%0.31833%0.329SS..THydrogen-bonded Turntrans-64.5-22.4-178.426.7-35.3000113.3R111 M172 L173R111-P170 HydrophobicContact CG-CB 4.37Å; P170-M172 VanDerWaalsContact C-N 3.34Å; P170-L173 WeakPolarHBondContact O-CB 3.11Å
171N79.4Confident78.8Confident151 Ų15159 Ų5981%0.80732%0.317SS*.THydrogen-bonded Turntrans-74.5-25.6177.3-64.4-9.8000112.2D169D169-N171 PolarHBondContact O-N 3.33Å; D169-N171 VanDerWaalsContact O-N 3.14Å
172M78.3Confident78.9Confident51 Ų5154.1 Ų54.125%0.25130%0.298SS..THydrogen-bonded Turntrans-88.2-13179.3-161.4179.1-70.600112.2F167 D169 P170 D174 I175 L176F167-M172 HydrophobicContact CD1-SD 3.94Å; F167-M172 HydrophobicContact CD2-SD 4.3Å; F167-M172 HydrophobicContact CE1-SD 4.08Å; F167-M172 HydrophobicContact CE2-SD 4.44Å; F167-M172 HydrophobicContact CG-SD 4.04Å; F167-M172 HydrophobicContact CZ-SD 4.34Å; D169-M172 HydrophobicContact CB-CB 4.49Å; D169-M172 PolarHBondContact O-N 3.38Å; P170-M172 VanDerWaalsContact C-N 3.34Å; M172-D174 VanDerWaalsContact C-N 3.31Å; M172-D174 PolarHBondContact O-N 3.44Å; M172-I175 WeakPolarHBondContact O-CB 3.21Å; M172-I175 PolarHBondContact O-N 3.18Å; M172-L176 HydrophobicContact CB-CD1 4.21Å; M172-L176 HydrophobicContact CG-CD1 4Å; M172-L176 HydrophobicContact CG-CG 4.03Å; M172-L176 WeakPolarHBondContact O-CG 3.39Å; M172-L176 PolarHBondContact O-N 2.87Å; M172-L176 HydrophobicContact SD-CD1 4.25Å; M172-L176 HydrophobicContact SD-CG 4.44Å
173L77.5Confident79Confident9 Ų947.8 Ų47.85%0.04727%0.265CS..Hα-helixtrans-53.9-42.6-177-177.9121.4000113.2A107 F110 D169 P170 I175 L176 I177A107-L173 HydrophobicContact CB-CD2 3.89Å; F110-L173 HydrophobicContact CB-CD1 3.28Å; F110-L173 HydrophobicContact CD1-CB 4.34Å; F110-L173 HydrophobicContact CD1-CD1 3.5Å; F110-L173 HydrophobicContact CD2-CD1 3.75Å; F110-L173 HydrophobicContact CE1-CB 4.41Å; F110-L173 HydrophobicContact CE1-CD1 4.1Å; F110-L173 HydrophobicContact CE2-CD1 4.33Å; F110-L173 HydrophobicContact CG-CD1 3.27Å; F110-L173 HydrophobicContact CZ-CD1 4.47Å; D169-L173 PolarHBondContact O-N 3.45Å; P170-L173 WeakPolarHBondContact O-CB 3.11Å; L173-I175 VanDerWaalsContact C-N 3.29Å; L173-I175 PolarHBondContact O-N 3.44Å; L173-L176 PolarHBondContact O-N 3.01Å; L173-I177 HydrophobicContact CD2-CD1 3.48Å; L173-I177 VanDerWaalsContact CD2-CD1 3.48Å; L173-I177 HydrophobicContact CG-CD1 3.78Å; L173-I177 HydrophobicContact CG-CG1 4.32Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 2.88Å
174D77Confident79.1Confident83 Ų8344.6 Ų44.644%0.44425%0.248SC..Hα-helixtrans-65.8-34.2179.8-84.2-44.9000112.6R103 M172 S178R103-D174 IonicContact CZ-OD1 2.83Å; R103-D174 VanDerWaalsContact CZ-OD1 3.25Å; R103-D174 IonicContact NE-OD1 3.47Å; R103-D174 PolarHBondContact NE-OD1 3.38Å; R103-D174 IonicContact NH2-OD1 3.63Å; R103-D174 PolarHBondContact NH2-OD1 3.34Å; M172-D174 VanDerWaalsContact C-N 3.31Å; M172-D174 PolarHBondContact O-N 3.44Å; D174-S178 PolarHBondContact O-N 2.93Å
175I79.6Confident79.1Confident109 Ų10945.9 Ų45.956%0.55926%0.255SS*.Hα-helixtrans-70.5-46174.2-60.3170.8000108.9M172 L173 I177 S178 S179M172-I175 WeakPolarHBondContact O-CB 3.21Å; M172-I175 PolarHBondContact O-N 3.18Å; L173-I175 VanDerWaalsContact C-N 3.29Å; L173-I175 PolarHBondContact O-N 3.44Å; I175-I177 PolarHBondContact O-N 3.41Å; I175-S178 CarbonylContact O-C 3.51Å; I175-S178 WeakPolarHBondContact O-CA 3.18Å; I175-S178 PolarHBondContact O-N 3.01Å; I175-S178 PolarHBondContact O-OG 2.92Å; I175-S179 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-OG 3.47Å
176L77.9Confident79.3Confident2 Ų244.9 Ų44.91%0.0125%0.248CC..Hα-helixtrans-65.4-34.9-178.7-69.1166.8000113.8F110 F167 M172 L173 S178 H180 L183 V184F110-L176 HydrophobicContact CZ-CD1 4.17Å; F167-L176 HydrophobicContact CB-CD1 4.45Å; F167-L176 HydrophobicContact CD1-CD1 4.24Å; F167-L176 HydrophobicContact CD1-CD2 3.49Å; F167-L176 VanDerWaalsContact CD1-CD2 3.49Å; F167-L176 HydrophobicContact CD1-CG 4.44Å; F167-L176 HydrophobicContact CE1-CD2 3.82Å; F167-L176 WeakPolarHBondContact O-CD1 3.34Å; M172-L176 HydrophobicContact CB-CD1 4.21Å; M172-L176 HydrophobicContact CG-CD1 4Å; M172-L176 HydrophobicContact CG-CG 4.03Å; M172-L176 WeakPolarHBondContact O-CG 3.39Å; M172-L176 PolarHBondContact O-N 2.87Å; M172-L176 HydrophobicContact SD-CD1 4.25Å; M172-L176 HydrophobicContact SD-CG 4.44Å; L173-L176 PolarHBondContact O-N 3.01Å; L176-S178 PolarHBondContact O-N 3.41Å; L176-H180 CarbonylContact O-C 3.49Å; L176-H180 WeakPolarHBondContact O-CA 3.21Å; L176-H180 PolarHBondContact O-N 3.48Å; L176-H180 VanDerWaalsContact O-O 3.14Å; L176-L183 HydrophobicContact CD1-CD2 4.12Å; L176-L183 HydrophobicContact CD2-CD2 4.15Å; L176-V184 HydrophobicContact CB-CG2 4.04Å
177I79.1Confident79.5Confident32 Ų3239.6 Ų39.616%0.16422%0.224CC..Hα-helixtrans-63.9-36.2173-69.9167.3000110.5R103 L173 I175 V184R103-I177 HydrophobicContact CG-CD1 4.16Å; L173-I177 HydrophobicContact CD2-CD1 3.48Å; L173-I177 VanDerWaalsContact CD2-CD1 3.48Å; L173-I177 HydrophobicContact CG-CD1 3.78Å; L173-I177 HydrophobicContact CG-CG1 4.32Å; L173-I177 VanDerWaalsContact O-CG1 3.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 2.88Å; I175-I177 PolarHBondContact O-N 3.41Å; I177-V184 HydrophobicContact CG1-CG2 4.12Å
178S76.7Confident79.8Confident100 Ų10038.9 Ų38.970%0.69922%0.222SC*.Hα-helixtrans-79.6-33.818072.40000113.9D174 I175 L176D174-S178 PolarHBondContact O-N 2.93Å; I175-S178 CarbonylContact O-C 3.51Å; I175-S178 WeakPolarHBondContact O-CA 3.18Å; I175-S178 PolarHBondContact O-N 3.01Å; I175-S178 PolarHBondContact O-OG 2.92Å; L176-S178 PolarHBondContact O-N 3.41Å
179S77.9Confident80.1Confident55 Ų5541.6 Ų41.639%0.38524%0.236SC..Hα-helixtrans-100.4-39.8-174.259.10000113.9I175I175-S179 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-OG 3.47Å
180H80.6Confident80.3Confident40 Ų4039.8 Ų39.819%0.18523%0.226CC..  trans-139.365.2-172.1-59.7-66.9000111.4D151 L176 A182 L183D151-H180 IonicContact OD1-CE1 3.16Å; D151-H180 IonicContact OD1-ND1 3Å; D151-H180 PolarHBondContact OD1-ND1 3.04Å; D151-H180 IonicContact OD2-CE1 3.25Å; D151-H180 IonicContact OD2-CG 3.96Å; D151-H180 IonicContact OD2-ND1 2.73Å; D151-H180 PolarHBondContact OD2-ND1 2.82Å; L176-H180 CarbonylContact O-C 3.49Å; L176-H180 WeakPolarHBondContact O-CA 3.21Å; L176-H180 PolarHBondContact O-N 3.48Å; L176-H180 VanDerWaalsContact O-O 3.14Å; H180-A182 PolarHBondContact O-N 2.94Å; H180-L183 HydrophobicContact CB-CB 4Å; H180-L183 WeakPolarHBondContact O-CB 3.19Å; H180-L183 PolarHBondContact O-N 3.01Å
181P79.4Confident80.6Confident29 Ų2938 Ų3819%0.18821%0.214CC..Hα-helixtrans-60.5-30.3-179.123.8-34000112.9P98 V101 L183 V184 N185P98-P181 HydrophobicContact CB-CB 4.09Å; P98-P181 HydrophobicContact CB-CG 3.47Å; P98-P181 VanDerWaalsContact CB-CG 3.47Å; P98-P181 HydrophobicContact CG-CG 4.37Å; V101-P181 HydrophobicContact CG2-CB 3.8Å; P181-L183 VanDerWaalsContact C-N 3.31Å; P181-L183 PolarHBondContact O-N 2.94Å; P181-V184 PolarHBondContact O-N 3.38Å; P181-N185 PolarHBondContact O-N 3.33Å
182A82Confident80.7Confident11 Ų1135.7 Ų35.79%0.09120%0.198CC..Hα-helixtrans-63.3-35.3175.500000112.8T145 G147 H180 V184 N185 A186T145-A182 HydrophobicContact CG2-CB 4.13Å; G147-A182 VanDerWaalsContact C-CB 3.44Å; H180-A182 PolarHBondContact O-N 2.94Å; A182-V184 VanDerWaalsContact C-N 3.34Å; A182-N185 PolarHBondContact O-N 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.44Å; A182-A186 PolarHBondContact O-N 3.26Å
183L84Confident80.8Confident1 Ų135.8 Ų35.81%0.00520%0.203CC..Hα-helixtrans-64.9-40.6176.2178143.3000111.2A154 V157 L176 H180 P181 A186 I187A154-L183 HydrophobicContact CB-CB 3.79Å; A154-L183 HydrophobicContact CB-CD1 4.08Å; A154-L183 HydrophobicContact CB-CG 4.49Å; V157-L183 HydrophobicContact CB-CD1 3.71Å; V157-L183 HydrophobicContact CG1-CD1 3.67Å; V157-L183 HydrophobicContact CG2-CD1 4.18Å; L176-L183 HydrophobicContact CD1-CD2 4.12Å; L176-L183 HydrophobicContact CD2-CD2 4.15Å; H180-L183 HydrophobicContact CB-CB 4Å; H180-L183 WeakPolarHBondContact O-CB 3.19Å; H180-L183 PolarHBondContact O-N 3.01Å; P181-L183 VanDerWaalsContact C-N 3.31Å; P181-L183 PolarHBondContact O-N 2.94Å; L183-A186 PolarHBondContact O-N 3.34Å; L183-I187 HydrophobicContact CD2-CD1 3.4Å; L183-I187 VanDerWaalsContact CD2-CD1 3.4Å; L183-I187 HydrophobicContact CD2-CG1 4.43Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 VanDerWaalsContact O-CG1 3.32Å; L183-I187 WeakPolarHBondContact O-CG1 2.89Å; L183-I187 PolarHBondContact O-N 3.46Å
184V83.3Confident80.7Confident0 Ų035.6 Ų35.60%020%0.203CC..Hα-helixtrans-64.7-44.4179.5-176.90000110.7V101 A106 L176 I177 P181 A182 I187 I188V101-V184 HydrophobicContact CG1-CB 4.38Å; V101-V184 HydrophobicContact CG1-CG1 3.82Å; A106-V184 HydrophobicContact CB-CG1 3.89Å; L176-V184 HydrophobicContact CB-CG2 4.04Å; I177-V184 HydrophobicContact CG1-CG2 4.12Å; P181-V184 PolarHBondContact O-N 3.38Å; A182-V184 VanDerWaalsContact C-N 3.34Å; V184-I187 PolarHBondContact O-N 3.24Å; V184-I188 HydrophobicContact CG1-CD1 4.09Å; V184-I188 VanDerWaalsContact O-CG1 3.3Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 2.9Å; V184-I188 VanDerWaalsContact O-N 3.07Å
185N81.4Confident80.2Confident29 Ų2934.7 Ų34.716%0.15521%0.207CC..Hα-helixtrans-63.3-42.7175.9-72.3-21.1000112T145 P181 A182 I187 I188 L189T145-N185 HydrophobicContact CG2-CB 4.05Å; P181-N185 PolarHBondContact O-N 3.33Å; A182-N185 PolarHBondContact O-N 3.31Å; N185-I187 VanDerWaalsContact C-N 3.33Å; N185-I187 PolarHBondContact O-N 3.17Å; N185-I188 PolarHBondContact O-N 3.49Å; N185-L189 WeakPolarHBondContact O-CG 3.33Å; N185-L189 PolarHBondContact O-N 3.29Å
186A84.7Confident79.3Confident0 Ų032.8 Ų32.80%021%0.214CC..Hα-helixtrans-59.8-42.7175.700000111.8I141 L148 L158 A182 L183 I188 L189 V190I141-A186 HydrophobicContact CG2-CB 3.93Å; L148-A186 HydrophobicContact CD2-CB 4.19Å; L158-A186 HydrophobicContact CD1-CB 3.9Å; A182-A186 WeakPolarHBondContact O-CB 3.44Å; A182-A186 PolarHBondContact O-N 3.26Å; L183-A186 PolarHBondContact O-N 3.34Å; A186-I188 PolarHBondContact O-N 2.85Å; A186-L189 PolarHBondContact O-N 3.14Å; A186-V190 WeakPolarHBondContact O-CB 3.05Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.86Å
187I83.7Confident78.1Confident0 Ų037.1 Ų37.10%025%0.245CC..Hα-helixtrans-63.8-41.1177.6-72.7169.9000111.9F110 F113 L158 F164 T168 L183 V184 N185 V190 L191F110-I187 HydrophobicContact CD2-CG2 3.92Å; F110-I187 HydrophobicContact CE2-CB 4.25Å; F110-I187 HydrophobicContact CE2-CD1 3.6Å; F110-I187 HydrophobicContact CE2-CG2 3.83Å; F110-I187 HydrophobicContact CZ-CD1 4.06Å; F113-I187 HydrophobicContact CD1-CG2 3.46Å; F113-I187 VanDerWaalsContact CD1-CG2 3.46Å; F113-I187 HydrophobicContact CE1-CG2 3.63Å; F113-I187 HydrophobicContact CG-CG2 4.01Å; F113-I187 HydrophobicContact CZ-CG2 4.35Å; L158-I187 HydrophobicContact CD2-CG1 4.35Å; F164-I187 HydrophobicContact CE2-CD1 4.28Å; F164-I187 HydrophobicContact CE2-CG1 3.88Å; F164-I187 HydrophobicContact CZ-CG1 4.32Å; T168-I187 HydrophobicContact CG2-CD1 4.05Å; L183-I187 HydrophobicContact CD2-CD1 3.4Å; L183-I187 VanDerWaalsContact CD2-CD1 3.4Å; L183-I187 HydrophobicContact CD2-CG1 4.43Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 VanDerWaalsContact O-CG1 3.32Å; L183-I187 WeakPolarHBondContact O-CG1 2.89Å; L183-I187 PolarHBondContact O-N 3.46Å; V184-I187 PolarHBondContact O-N 3.24Å; N185-I187 VanDerWaalsContact C-N 3.33Å; N185-I187 PolarHBondContact O-N 3.17Å; I187-V190 WeakPolarHBondContact O-CB 3.36Å; I187-V190 PolarHBondContact O-N 3.19Å; I187-L191 PolarHBondContact O-N 3.39Å
188I82.1Confident76.7Confident28 Ų2839.3 Ų39.314%0.14426%0.255CS..Hα-helixtrans-64.7-41.7177.1-65.2165.1000110.7A106 E109 V184 N185 A186 V190 L191 H192A106-I188 HydrophobicContact CB-CD1 4.01Å; E109-I188 HydrophobicContact CB-CG1 4.03Å; E109-I188 HydrophobicContact CB-CG2 4.46Å; E109-I188 HydrophobicContact CG-CG2 4.31Å; V184-I188 HydrophobicContact CG1-CD1 4.09Å; V184-I188 VanDerWaalsContact O-CG1 3.3Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 2.9Å; V184-I188 VanDerWaalsContact O-N 3.07Å; N185-I188 PolarHBondContact O-N 3.49Å; A186-I188 PolarHBondContact O-N 2.85Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 3.47Å; I188-L191 WeakPolarHBondContact O-CB 3.07Å; I188-L191 PolarHBondContact O-N 2.84Å; I188-H192 PolarHBondContact O-N 3.46Å; I188-H192 VanDerWaalsContact O-N 3.13Å
189L81.9Confident74.8Confident56 Ų5640.3 Ų40.329%0.29326%0.259SS..Hα-helixtrans-63.6-40.1174.8-71.1170.6000111.8A144 T145 N185 A186 H192 S193A144-L189 HydrophobicContact CB-CD1 3.7Å; T145-L189 WeakPolarHBondContact OG1-CD1 3.32Å; N185-L189 WeakPolarHBondContact O-CG 3.33Å; N185-L189 PolarHBondContact O-N 3.29Å; A186-L189 PolarHBondContact O-N 3.14Å; L189-H192 PolarHBondContact O-N 2.92Å; L189-S193 VanDerWaalsContact O-CB 3.27Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.05Å; L189-S193 PolarHBondContact O-OG 2.91Å
190V84.8Confident72.9Confident0 Ų042.4 Ų42.40%028%0.28CS..Hα-helixtrans-61.8-45.6176.6163.70000110.9F113 V128 M131 L132 I141 A186 I187 I188 H192 S193 V194F113-V190 HydrophobicContact CE2-CG1 4.04Å; F113-V190 HydrophobicContact CZ-CG1 4.01Å; V128-V190 HydrophobicContact CG1-CG1 3.71Å; V128-V190 HydrophobicContact CG2-CG1 4.4Å; M131-V190 HydrophobicContact CE-CB 3.91Å; M131-V190 HydrophobicContact CE-CG1 3.59Å; M131-V190 HydrophobicContact CE-CG2 3.81Å; L132-V190 HydrophobicContact CD2-CG2 3.8Å; I141-V190 HydrophobicContact CD1-CG2 3.68Å; I141-V190 HydrophobicContact CG1-CG2 4.48Å; A186-V190 WeakPolarHBondContact O-CB 3.05Å; A186-V190 WeakPolarHBondContact O-CG2 3.37Å; A186-V190 PolarHBondContact O-N 2.86Å; I187-V190 WeakPolarHBondContact O-CB 3.36Å; I187-V190 PolarHBondContact O-N 3.19Å; I188-V190 VanDerWaalsContact C-N 3.33Å; I188-V190 PolarHBondContact O-N 3.47Å; V190-H192 VanDerWaalsContact C-N 3.34Å; V190-H192 PolarHBondContact O-N 3.49Å; V190-S193 PolarHBondContact O-N 3.13Å; V190-V194 WeakPolarHBondContact O-CG2 3.39Å; V190-V194 PolarHBondContact O-N 3.49Å
191L81.8Confident70.9Confident12 Ų1249.4 Ų49.46%0.06331%0.313CS..Hα-helixtrans-54-50.3174.3172.165.5000111.1E109 V112 F113 I187 I188 A195E109-L191 HydrophobicContact CB-CD2 3.96Å; E109-L191 VanDerWaalsContact OE2-CD2 3.24Å; E109-L191 WeakPolarHBondContact OE2-CD2 3.18Å; V112-L191 HydrophobicContact CG1-CD1 4.34Å; V112-L191 HydrophobicContact CG1-CD2 4.43Å; F113-L191 HydrophobicContact CB-CD1 4.3Å; F113-L191 HydrophobicContact CB-CD2 4.29Å; F113-L191 HydrophobicContact CD2-CB 3.65Å; F113-L191 HydrophobicContact CD2-CD1 3.77Å; F113-L191 HydrophobicContact CD2-CG 4.2Å; F113-L191 HydrophobicContact CE2-CB 4.23Å; F113-L191 HydrophobicContact CG-CB 4.42Å; I187-L191 PolarHBondContact O-N 3.39Å; I188-L191 WeakPolarHBondContact O-CB 3.07Å; I188-L191 PolarHBondContact O-N 2.84Å; L191-A195 VanDerWaalsContact O-CB 3.23Å; L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.94Å
192H80.3Confident69Low103 Ų10353.8 Ų53.848%0.47734%0.344SS..Hα-helixtrans-69.3-36.7-179-66.3169.7000113E109 I188 L189 V190 G196E109-H192 IonicContact OE2-NE2 3.8Å; I188-H192 PolarHBondContact O-N 3.46Å; I188-H192 VanDerWaalsContact O-N 3.13Å; L189-H192 PolarHBondContact O-N 2.92Å; V190-H192 VanDerWaalsContact C-N 3.34Å; V190-H192 PolarHBondContact O-N 3.49Å; H192-G196 PolarHBondContact O-N 3.42Å; H192-G196 VanDerWaalsContact O-N 3.08Å
193S80.9Confident66.7Low52 Ų5258.9 Ų58.936%0.36438%0.379SS..Hα-helixtrans-68.3-40-179-59.40000112.1L189 V190 S197L189-S193 VanDerWaalsContact O-CB 3.27Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 3.05Å; L189-S193 PolarHBondContact O-OG 2.91Å; V190-S193 PolarHBondContact O-N 3.13Å; S193-S197 WeakPolarHBondContact O-CB 3.2Å; S193-S197 PolarHBondContact O-N 3.02Å; S193-S197 PolarHBondContact O-OG 3.17Å
194V75.8Confident64.7Low5 Ų564.1 Ų64.13%0.0342%0.423CS..Hα-helixtrans-77.1-36.2177.1-177.50000111.5Y124 V128 M131 V190 G196 S197 M198Y124-V194 HydrophobicContact CD2-CG1 3.68Å; Y124-V194 HydrophobicContact CE2-CB 3.89Å; Y124-V194 HydrophobicContact CE2-CG1 3.35Å; V128-V194 HydrophobicContact CB-CG2 4.49Å; V128-V194 HydrophobicContact CG2-CB 4.24Å; V128-V194 HydrophobicContact CG2-CG1 4.15Å; V128-V194 HydrophobicContact CG2-CG2 3.79Å; M131-V194 HydrophobicContact CE-CG2 3.44Å; M131-V194 VanDerWaalsContact CE-CG2 3.44Å; M131-V194 HydrophobicContact SD-CG2 3.76Å; V190-V194 WeakPolarHBondContact O-CG2 3.39Å; V190-V194 PolarHBondContact O-N 3.49Å; V194-G196 VanDerWaalsContact C-N 3.26Å; V194-G196 PolarHBondContact O-N 3.25Å; V194-S197 PolarHBondContact O-N 2.92Å; V194-S197 VanDerWaalsContact O-N 3.1Å; V194-M198 HydrophobicContact CG1-CE 4.48Å; V194-M198 PolarHBondContact O-N 2.98Å
195A67.1Low62.4Low64 Ų6467.7 Ų67.753%0.52946%0.46SS..Hα-helixtrans-61.3-33.8174.500000112.8L191L191-A195 VanDerWaalsContact O-CB 3.23Å; L191-A195 WeakPolarHBondContact O-CB 3.37Å; L191-A195 PolarHBondContact O-N 2.94Å
196G59Low60.2Low69 Ų6971.5 Ų71.571%0.71149%0.488SS*.Hα-helixtrans-78.5-18.8174.200000115H192 V194H192-G196 PolarHBondContact O-N 3.42Å; H192-G196 VanDerWaalsContact O-N 3.08Å; V194-G196 VanDerWaalsContact C-N 3.26Å; V194-G196 PolarHBondContact O-N 3.25Å
197S52.8Low57.7Low94 Ų9477.5 Ų77.566%0.65753%0.53SS*.Hα-helixtrans-93.6-5.7-175.4-600000114S193 V194S193-S197 WeakPolarHBondContact O-CB 3.2Å; S193-S197 PolarHBondContact O-N 3.02Å; S193-S197 PolarHBondContact O-OG 3.17Å; V194-S197 PolarHBondContact O-N 2.92Å; V194-S197 VanDerWaalsContact O-N 3.1Å
198M50Low55.6Low78 Ų7888.4 Ų88.438%0.38457%0.571SS.*SBendtrans-91.1126.3172.8-65.7-143.1163.400110.1Y124 V194 A200Y124-M198 HydrophobicContact CD2-CE 4.07Å; Y124-M198 HydrophobicContact CD2-SD 4.46Å; V194-M198 HydrophobicContact CG1-CE 4.48Å; V194-M198 PolarHBondContact O-N 2.98Å; M198-A200 PolarHBondContact O-N 3.08Å; M198-A200 VanDerWaalsContact O-N 3.09Å
199P37.3Very low53.4Low120 Ų12094.3 Ų94.378%0.77960%0.603SS**  trans-60.6120.6169.125.1-30.2000107.6Q201P199-Q201 PolarHBondContact O-N 2.81Å
200A37.8Very low51.2Low100 Ų10098 Ų9883%0.82663%0.628SS**  trans-52109.5173.900000108.7M198 S202M198-A200 PolarHBondContact O-N 3.08Å; M198-A200 VanDerWaalsContact O-N 3.09Å; A200-S202 PolarHBondContact O-N 3.24Å; A200-S202 VanDerWaalsContact O-N 3.07Å
201Q39.6Very low48.6Very low187 Ų187103.3 Ų103.387%0.87467%0.665SS**  trans-61.9115.3161.9-79.4-169-64.600106.8P199 S203P199-Q201 PolarHBondContact O-N 2.81Å; Q201-S203 PolarHBondContact O-N 2.91Å; Q201-S203 VanDerWaalsContact O-N 3.1Å
202S38.6Very low46.2Very low121 Ų121107.2 Ų107.285%0.84670%0.699SS**  trans-40.5110.3175.350.80000112.5A200A200-S202 PolarHBondContact O-N 3.24Å; A200-S202 VanDerWaalsContact O-N 3.07Å
203S33Very low43.7Very low117 Ų117108.2 Ų108.282%0.81872%0.718SS**  trans-127122.1147.646.50000107Q201Q201-S203 PolarHBondContact O-N 2.91Å; Q201-S203 VanDerWaalsContact O-N 3.1Å
204A42.9Very low41.3Very low112 Ų112111.7 Ų111.793%0.92674%0.742SS**  trans-63.5140.7-163.100000113.7
205G33.9Very low39.6Very low75 Ų75120.7 Ų120.777%0.77378%0.776SS**  trans161.589.4161.300000117.4
206S37.2Very low38Very low108 Ų108123.2 Ų123.276%0.75579%0.79SS**  trans73.977.2148.8-147.60000119R208S206-R208 PolarHBondContact O-N 2.98Å
207S31.9Very low36.9Very low126 Ų126125.2 Ų125.288%0.88179%0.785SS**  trans-78.2111.6157.7-77.40000110.6N209S207-N209 PolarHBondContact O-N 3.48Å
208R37.9Very low36.3Very low230 Ų230128 Ų12887%0.86879%0.789SS**  trans-74111.8162.9-59.5174.4-179.5174.3-1106.9S206 V210S206-R208 PolarHBondContact O-N 2.98Å; R208-V210 PolarHBondContact O-N 3.28Å
209N37.2Very low36.2Very low151 Ų151129.4 Ų129.481%0.80780%0.804SS**  trans-73.7116.6-179.1-166.715.2000109.7S207S207-N209 PolarHBondContact O-N 3.48Å
210V35.3Very low36Very low135 Ų135127.2 Ų127.282%0.81880%0.804SS**  trans-117.4128159.8-73.10000108.2R208R208-V210 PolarHBondContact O-N 3.28Å
211S30.3Very low35.8Very low110 Ų110125.7 Ų125.777%0.76980%0.797SS**  trans-69.8150.4-164.9-41.90000114.1
212A30.9Very low35.7Very low94 Ų94126.2 Ų126.278%0.77780%0.797SS**  -178.4116.5118.600000112.6
213S27.6Very low36.3Very low125 Ų125129.4 Ų129.487%0.87480%0.801SS**  trans49.4116133.2-119.90000120.6
214S30.6Very low36.6Very low124 Ų124132.9 Ų132.987%0.86780%0.802SS**  -167.1144.8103.5-154.30000111.4
215Y39.4Very low36.8Very low194 Ų194134.5 Ų134.576%0.76179%0.79SS**  trans-86.4134.2-170170.1-90.8000111.9D217Y215-D217 HydrophobicContact CE2-CB 4Å
216S35Very low37.3Very low118 Ų118134.3 Ų134.383%0.82579%0.788SS**  trans-158.6116.2138.356.40000109.9
217D34.4Very low37.2Very low111 Ų111136.5 Ų136.559%0.59479%0.788SS**  trans-91.2158.2-178.5-170.323.5000111.4Y215Y215-D217 HydrophobicContact CE2-CB 4Å
218M40.8Very low37.5Very low151 Ų151136 Ų13674%0.74479%0.785SS**  trans96.7155.5156.1-110.425.8-170.500121.5
219P48.3Very low37.9Very low108 Ų108131.3 Ų131.370%0.70178%0.777SS**  -135.5163.8-101.540.1-20.9000114.7
220G33.2Very low38.3Very low75 Ų75131 Ų13177%0.77378%0.775SS**  trans128.3134.6154.800000117.9
221G34.3Very low38.5Very low67 Ų67131.4 Ų131.469%0.69177%0.768SS**  trans72.7142.8161.800000114.6
222F37.6Very low38.8Very low198 Ų198134.5 Ų134.587%0.86877%0.77SS**  cis-165.514318.525.2-90.5000106.8
223M50.2Low39Very low189 Ų189135.8 Ų135.893%0.93176%0.76SS**  trans-79.7134171.4-54.7175.4-168.700108.9
224F39.9Very low39.3Very low189 Ų189139.9 Ų139.983%0.82976%0.763SS**  trans-158.197.1162.3-154.8-100.6000106.2
225E47.3Very low39.8Very low147 Ų147140.6 Ų140.669%0.68775%0.752SS**  52.670.966.9-153.168.4-144.600111.4
226G44.1Very low39.5Very low71 Ų71137.4 Ų137.473%0.73276%0.759SS**  trans-116.190.5170.300000109.6
227M35.8Very low39.3Very low154 Ų154135.6 Ų135.676%0.75976%0.758SS**  trans-64.2135.5169-61.9152.666.400110.6
228S36.8Very low39.4Very low116 Ų116135.9 Ų135.981%0.81177%0.769SS**  trans-159.197.5153.4-178.10000103.2
229D47.4Very low39.8Very low130 Ų130134.4 Ų134.470%0.69577%0.771SS**  cis52.884.145.2-148.146.9000110.9
230D45.9Very low39Very low145 Ų145134.4 Ų134.478%0.77578%0.78SS**  -160.9147.9122.2-136.9-14.4000110.7
231E38.4Very low39Very low143 Ų143134.2 Ų134.267%0.66878%0.778SS**  trans-92153-158.553.6-145.840.400116.4
232E37Very low39.7Very low175 Ų175137 Ų13782%0.81878%0.784SS**  trans31.4143.3134.8-61.4-176.99800119.7
233E35.4Very low39.4Very low121 Ų121132.7 Ų132.757%0.56578%0.779SS**  cis175.613837.1169.8103.2152.400104.3H235E233-H235 IonicContact OE1-CD2 2.67Å; E233-H235 PolarHBondContact OE1-CD2 2.97Å; E233-H235 VanDerWaalsContact OE1-CD2 3.26Å; E233-H235 IonicContact OE1-NE2 3.76Å; E233-H235 PolarHBondContact OE1-NE2 3.19Å; E233-H235 IonicContact OE2-NE2 3.26Å
234F34.2Very low38.7Very low211 Ų211129.3 Ų129.393%0.92577%0.773SS**  trans-166.7113.6137.2-109.7-74.8000110.3
235H40.5Very low38.4Very low140 Ų140132.1 Ų132.165%0.64878%0.778SS**  trans-72.3146.1175.6-71.7-92.4000113E233E233-H235 IonicContact OE1-CD2 2.67Å; E233-H235 PolarHBondContact OE1-CD2 2.97Å; E233-H235 VanDerWaalsContact OE1-CD2 3.26Å; E233-H235 IonicContact OE1-NE2 3.76Å; E233-H235 PolarHBondContact OE1-NE2 3.19Å; E233-H235 IonicContact OE2-NE2 3.26Å
236S33.1Very low37.8Very low127 Ų127129.8 Ų129.889%0.88878%0.784SS**  176.5128.2120.3-79.10000113.7
237G30.5Very low37.2Very low80 Ų80130.1 Ų130.183%0.82579%0.788SS**  trans106.677.8137.600000120.7
238S36.4Very low37.5Very low117 Ų117131 Ų13182%0.81880%0.795SS**  trans-22.4176147.5-76.10000120.4
239P49.7Very low38.4Very low119 Ų119130.8 Ų130.877%0.77379%0.791SS**  cis-144.5-172.1-34.339.4-19.9000115.3
240A31.4Very low38.1Very low108 Ų108131 Ų13189%0.89380%0.799SS**  trans88131.8159.200000117.5
241G32Very low37.5Very low72 Ų72127.2 Ų127.274%0.74280%0.795SS**  cis-173.6-173.91100000110
242P49.1Very low37.6Very low124 Ų124128.5 Ų128.581%0.80580%0.803SS**  -117.9161.2-126.640.5-33.3000119.3
243S32.8Very low38.1Very low109 Ų109131.7 Ų131.776%0.76281%0.807SS**  trans48.5118135.2-58.80000124.6
244S35.2Very low38.8Very low117 Ų117131.8 Ų131.882%0.81882%0.818SS**  18.7129.7120.8-41.50000121.1
245R32.4Very low39.4Very low248 Ų248128.2 Ų128.294%0.93681%0.814SS**  -168.2143.9117-132.9159.393.6179.96.4115.3
246A34.8Very low39.2Very low98 Ų98126.7 Ų126.781%0.8182%0.819SS**  trans-63.8158.3168.700000114.7
247G32Very low39.6Very low79 Ų79129.1 Ų129.181%0.81482%0.821SS**  trans-172112.7166.300000112.3
248L41.5Very low39.8Very low173 Ų173129.2 Ų129.291%0.90682%0.822SS**  trans-66172-176.7-83.1150000115.6
249P56Low40.2Very low111 Ų111132.4 Ų132.472%0.72182%0.823SS**  trans-96.1171.6-165.939.5-35.4000114.5
250P41.6Very low39.6Very low133 Ų133132.7 Ų132.786%0.86483%0.828SS**  trans-136.3157.2137.235.8-21.7000109.8
251G34.2Very low40Very low67 Ų67131.3 Ų131.369%0.69183%0.825SS**  cis160.2131.713.400000106.2
252M40.5Very low40.4Very low169 Ų169131.3 Ų131.383%0.83382%0.818SS**  trans26.3123.6150.7-60.5-74.2101.700119.7
253R46Very low40.5Very low243 Ų243132.7 Ų132.792%0.91782%0.824SS**  -161.3136124.3-55.6-162.9-177.8-162.5-1.6112.6
254P51.2Low41.6Very low123 Ų123130 Ų13080%0.79981%0.813SS**  trans-108.1144.6163.736-25.7000112.4
255V46.1Very low42.3Very low136 Ų136131 Ų13182%0.82482%0.817SS**  trans-152.1102.8168.2179.20000108
256S36.7Very low43.5Very low108 Ų108128.5 Ų128.576%0.75581%0.808SS**  65.8116.5102.4-73.20000118.6
257L41.9Very low44.6Very low177 Ų177129.3 Ų129.393%0.92781%0.805SS**  trans25.1118140.3-65.7168.4000119.9
258G35.3Very low45.9Very low83 Ų83132 Ų13286%0.85680%0.799SS**  trans-130.2107.9154.300000110.2
259H44.8Very low47.2Very low183 Ų183127.1 Ų127.185%0.84778%0.777SS**  trans-99.4121.5167.4-167.892.2000107.3
260S37.1Very low47.4Very low125 Ų125130.4 Ų130.487%0.87478%0.782SS**  trans-160128.8163.4-81.40000110.5
261G39.8Very low48.3Very low79 Ų79127.8 Ų127.881%0.81477%0.767SS**  trans-79.3161.6-158.500000116.8
262A40.1Very low49.9Very low72 Ų72130 Ų13060%0.59576%0.76SS**  trans-154116.8158.200000108.5
263T51Low51Low153 Ų153127 Ų12794%0.93975%0.747SS**  trans-63.2127.2179.548.50000112.6
264G54.4Low51.8Low52 Ų52118.2 Ų118.254%0.53673%0.725SS.*SBendtrans158.3144.5171.100000111R266G264-R266 PolarHBondContact O-N 3.39Å; G264-R266 VanDerWaalsContact O-N 3.09Å
265P50.2Low52.6Low139 Ų139116.4 Ų116.490%0.90371%0.712SS**  trans-71.8109.8-175.730.2-30.5000108.6
266R58.3Low53.4Low195 Ų195112.9 Ų112.974%0.73670%0.698SS**PPolyproline II helixtrans-89.5142.1174.3-61.9-171.8-178.5-170.80109.3G264 I268G264-R266 PolarHBondContact O-N 3.39Å; G264-R266 VanDerWaalsContact O-N 3.09Å; R266-I268 PolarHBondContact O-N 3.42Å
267P58.5Low54.6Low116 Ų116112.8 Ų112.875%0.75369%0.688SS**PPolyproline II helixtrans-63.3133.1170.426.8-32.3000109.4T269P267-T269 PolarHBondContact O-N 3.2Å
268I57.8Low55.6Low136 Ų136107.3 Ų107.370%0.69767%0.668SS**PPolyproline II helixtrans-60123.4-176.6-61.1167.4000108.9R266 E272 L273R266-I268 PolarHBondContact O-N 3.42Å; I268-E272 HydrophobicContact CG2-CB 4.23Å; I268-L273 HydrophobicContact CG2-CB 4.42Å
269T69.6Low56.6Low70 Ų70109.9 Ų109.943%0.42966%0.661SS.*PPolyproline II helixtrans-81.2148.9-179.558.70000111.1P267 S271 E272 L273P267-T269 PolarHBondContact O-N 3.2Å; T269-S271 PolarHBondContact O-N 2.8Å; T269-S271 PolarHBondContact OG1-OG 3.34Å; T269-E272 PolarHBondContact N-OE2 3.04Å; T269-E272 PolarHBondContact O-N 3.04Å; T269-E272 PolarHBondContact OG1-OE2 2.75Å; T269-L273 PolarHBondContact O-N 3.44Å
270Q59.5Low57Low179 Ų179105 Ų10584%0.83665%0.653SS**Hα-helixtrans-54.3-28.5-177.4-161.7-179.524.600113A274Q270-A274 WeakPolarHBondContact O-CB 3.46Å; Q270-A274 PolarHBondContact O-N 2.93Å
271S62.2Low57.5Low79 Ų79103 Ų10355%0.55264%0.639SS**Hα-helixtrans-73.4-33.9175.341.30000114.4T269 T275T269-S271 PolarHBondContact O-N 2.8Å; T269-S271 PolarHBondContact OG1-OG 3.34Å; S271-T275 PolarHBondContact O-N 3.36Å; S271-T275 VanDerWaalsContact O-N 3.08Å; S271-T275 PolarHBondContact O-OG1 2.99Å
272E67.1Low58Low114 Ų114104.4 Ų104.453%0.53363%0.632SS.*Hα-helixtrans-73.1-36.7174.1-75.4170.1127.900110.9I268 T269 T275 A276I268-E272 HydrophobicContact CG2-CB 4.23Å; T269-E272 PolarHBondContact N-OE2 3.04Å; T269-E272 PolarHBondContact O-N 3.04Å; T269-E272 PolarHBondContact OG1-OE2 2.75Å; E272-T275 PolarHBondContact O-N 3.17Å; E272-A276 PolarHBondContact O-N 2.9Å
273L63.9Low58.3Low106 Ų106107.1 Ų107.156%0.55564%0.643SS**Hα-helixtrans-66.9-41.4174.2-162.2150.7000111.2I268 T269 T275 A276 L277I268-L273 HydrophobicContact CG2-CB 4.42Å; T269-L273 PolarHBondContact O-N 3.44Å; L273-T275 VanDerWaalsContact C-N 3.27Å; L273-T275 PolarHBondContact O-N 3.49Å; L273-A276 PolarHBondContact O-N 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 PolarHBondContact O-N 3.43Å
274A61.7Low57.4Low57 Ų57107.3 Ų107.347%0.47164%0.639SS.*Hα-helixtrans-61.9-34.5172.800000112.5Q270 A278Q270-A274 WeakPolarHBondContact O-CB 3.46Å; Q270-A274 PolarHBondContact O-N 2.93Å; A274-A278 VanDerWaalsContact O-CB 3.23Å; A274-A278 WeakPolarHBondContact O-CB 3.18Å; A274-A278 PolarHBondContact O-N 3.05Å
275T68.4Low56.6Low86 Ų86110 Ų11053%0.52865%0.649SS.*Hα-helixtrans-74.5-42.3178.2-56.90000111.9S271 E272 L273 L277 A278 L279S271-T275 PolarHBondContact O-N 3.36Å; S271-T275 VanDerWaalsContact O-N 3.08Å; S271-T275 PolarHBondContact O-OG1 2.99Å; E272-T275 PolarHBondContact O-N 3.17Å; L273-T275 VanDerWaalsContact C-N 3.27Å; L273-T275 PolarHBondContact O-N 3.49Å; T275-L277 VanDerWaalsContact C-N 3.33Å; T275-A278 PolarHBondContact O-N 3.27Å; T275-L279 HydrophobicContact CG2-CD1 4.4Å; T275-L279 WeakPolarHBondContact O-CG 3.14Å; T275-L279 PolarHBondContact O-N 3.48Å
276A62.1Low56Low62 Ų62109 Ų10951%0.51265%0.646SS.*Hα-helixtrans-65.2-38.5174.200000111.7E272 L273 L279 A280E272-A276 PolarHBondContact O-N 2.9Å; L273-A276 PolarHBondContact O-N 3.31Å; A276-L279 PolarHBondContact O-N 3.17Å; A276-A280 WeakPolarHBondContact O-CB 3.33Å; A276-A280 PolarHBondContact O-N 3.13Å
277L63.2Low54.6Low106 Ų106104.1 Ų104.156%0.55565%0.647SS**Hα-helixtrans-67.7-39.4174.9-171.464000111.5L273 T275 L279 A280 S281L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 PolarHBondContact O-N 3.43Å; T275-L277 VanDerWaalsContact C-N 3.33Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L277-L279 PolarHBondContact O-N 3.31Å; L277-A280 PolarHBondContact O-N 3Å; L277-S281 WeakPolarHBondContact O-CB 3.37Å; L277-S281 PolarHBondContact O-N 3.3Å; L277-S281 VanDerWaalsContact O-N 3.07Å; L277-S281 PolarHBondContact O-OG 2.71Å
278A62.2Low53.6Low61 Ų61104.8 Ų104.850%0.50465%0.649SS.*Hα-helixtrans-64.9-37.2175.200000112.5A274 T275 S281A274-A278 VanDerWaalsContact O-CB 3.23Å; A274-A278 WeakPolarHBondContact O-CB 3.18Å; A274-A278 PolarHBondContact O-N 3.05Å; T275-A278 PolarHBondContact O-N 3.27Å; A278-S281 PolarHBondContact O-N 3.37Å
279L56.9Low52.4Low137 Ų137103.9 Ų103.972%0.71765%0.649SS**Hα-helixtrans-72.6-26.6175.5-71.7171.2000113.2T275 A276 L277T275-L279 HydrophobicContact CG2-CD1 4.4Å; T275-L279 WeakPolarHBondContact O-CG 3.14Å; T275-L279 PolarHBondContact O-N 3.48Å; A276-L279 PolarHBondContact O-N 3.17Å; L277-L279 VanDerWaalsContact C-N 3.35Å; L277-L279 PolarHBondContact O-N 3.31Å
280A52.7Low51Low82 Ų82106.6 Ų106.668%0.67867%0.668SS**Hα-helixtrans-85.7-14.2176.100000113.7A276 L277A276-A280 WeakPolarHBondContact O-CB 3.33Å; A276-A280 PolarHBondContact O-N 3.13Å; L277-A280 PolarHBondContact O-N 3Å
281S48.8Very low49.9Very low81 Ų81103.6 Ų103.657%0.56666%0.662SS**SBendtrans-92.94.8-172.7-59.40000114.9L277 A278 P283L277-S281 WeakPolarHBondContact O-CB 3.37Å; L277-S281 PolarHBondContact O-N 3.3Å; L277-S281 VanDerWaalsContact O-N 3.07Å; L277-S281 PolarHBondContact O-OG 2.71Å; A278-S281 PolarHBondContact O-N 3.37Å; S281-P283 WeakPolarHBondContact O-CD 3.24Å
282T48.8Very low48.5Very low110 Ų110106.4 Ų106.468%0.67568%0.676SS**  trans-89.9118.9175.655.30000111.1
283P46.9Very low46.7Very low128 Ų128106.2 Ų106.283%0.83169%0.688SS**  trans-95.1107.1175.433.7-24.2000110.1S281S281-P283 WeakPolarHBondContact O-CD 3.24Å
284D32.2Very low45.2Very low158 Ų158107.2 Ų107.285%0.84570%0.703SS**  trans-153.1122.2146.6-163-103.9000108.7
285S37.1Very low43.9Very low107 Ų107112.5 Ų112.575%0.74872%0.718SS**  trans-105.1132-178.7-770000110.3
286S38Very low42.2Very low119 Ų119116 Ų11683%0.83273%0.731SS**  trans135104130.2-58.60000113.2
287A29.8Very low40.8Very low92 Ų92120.3 Ų120.376%0.7675%0.745SS**  trans-15698.314900000110.9
288V35.9Very low40.2Very low131 Ų131120 Ų12079%0.79475%0.749SS**  trans24.2135.7134.2-55.10000120.9
289T32.8Very low38.7Very low116 Ų116122.6 Ų122.671%0.71276%0.764SS**  trans73.9118150.755.20000120.7
290P41.8Very low37.6Very low127 Ų127121.8 Ų121.883%0.82577%0.769SS**  trans-101.499.2153.334-20.3000109.4
291T35.5Very low37.1Very low117 Ų117121.7 Ų121.772%0.71878%0.776SS**  trans-150.5108.9163.866.80000111.5
292T32.4Very low36.3Very low137 Ų137123.4 Ų123.484%0.8479%0.788SS**  trans-152.5108.3140.142.40000110.8
293S29.1Very low36.1Very low111 Ų111122.6 Ų122.678%0.77679%0.793SS**  trans55.497.7146.259.30000121.7
294S33.7Very low35.6Very low126 Ų126122.4 Ų122.488%0.88179%0.792SS**  trans-146.190.6132.7-48.70000110.2
295Q33.9Very low36.1Very low169 Ų169123.6 Ų123.679%0.7979%0.794SS**  trans22.1127144.3-159.8170.5-25.500121.9
296M31.8Very low37.2Very low160 Ų160124 Ų12479%0.78879%0.794SS**  trans102.2116140.7-105.4163.5-171.400122.9
297D33.4Very low37Very low152 Ų152122.9 Ų122.981%0.81379%0.793SS**  trans91.6136.1141.5-126.9-96.4000122.1
298P50.2Low37.4Very low99 Ų99122.5 Ų122.564%0.64380%0.798SS**  trans-108.2148.1-17337.3-24000113.8
299S30.3Very low38.3Very low116 Ų116122.1 Ų122.181%0.81180%0.796SS**  trans179.8123.6147-82.10000113.9
300S35.4Very low39.3Very low119 Ų119122.4 Ų122.483%0.83280%0.8SS**  trans65106.9137.7-51.50000122
301G41.1Very low39.9Very low80 Ų80122 Ų12283%0.82580%0.795SS**  84.2103.4125.600000120.2
302S32.1Very low40.9Very low117 Ų117120 Ų12082%0.81879%0.785SS**  175.2138.4127.364.20000111.1
303A44.8Very low42.2Very low93 Ų93119.4 Ų119.477%0.76978%0.777SS**  trans-70155.7164.200000111.1
304P37.3Very low43.8Very low125 Ų125119.7 Ų119.781%0.81277%0.77SS**  -141.4162.3117.726.3-6.3000116.5
305M40.8Very low45.5Very low182 Ų182119.1 Ų119.190%0.89776%0.756SS**  trans-41.6169.7-179.5-73.3-69.6-163.300120.1
306P60.5Low47.1Very low115 Ų115117.3 Ų117.375%0.74775%0.746SS**  trans-96.8177.7-162.139.8-33.8000114.1
307A33.5Very low48.8Very low96 Ų96111.9 Ų111.979%0.79372%0.724SS**  trans110.585.4160.100000115.8
308G38.3Very low50.5Low84 Ų84110.5 Ų110.587%0.86671%0.712SS**  trans-94.2104.1152.500000109.3
309T54.9Low51.2Low124 Ų124108 Ų10876%0.76170%0.701SS**  trans-88.3131.6159.230.30000108.6V311T309-V311 PolarHBondContact O-N 2.85Å
310P55.1Low53.2Low122 Ų122107.2 Ų107.279%0.79269%0.686SS**  trans-68.5129.2177.727.4-32.4000110S312P310-S312 PolarHBondContact O-N 3.08Å; P310-S312 VanDerWaalsContact O-N 3.12Å
311V54.3Low54.7Low118 Ų118107.7 Ų107.772%0.71568%0.676SS**  trans-66.3108.5172.4-1800000107.8T309 L315T309-V311 PolarHBondContact O-N 2.85Å; V311-L315 HydrophobicContact CG1-CB 4.41Å; V311-L315 HydrophobicContact CG1-CD2 4.45Å
312S56.8Low55.9Low75 Ų75110.1 Ų110.152%0.52467%0.665SS.*  trans-71.7148.3178.3-166.20000111P310 D314 L315 F316P310-S312 PolarHBondContact O-N 3.08Å; P310-S312 VanDerWaalsContact O-N 3.12Å; S312-D314 PolarHBondContact O-N 2.76Å; S312-D314 VanDerWaalsContact O-N 3.11Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 3.02Å; S312-F316 PolarHBondContact O-N 3.32Å
313N58.8Low57Low125 Ų125106.7 Ų106.767%0.66865%0.645SS**Hα-helixtrans-55.3-28.3178.9-156.6-12.4000112.3F316 S317N313-F316 PolarHBondContact O-N 3.42Å; N313-S317 PolarHBondContact O-N 3.4Å; N313-S317 PolarHBondContact O-OG 2.89Å
314D62.7Low57.7Low117 Ų117108.3 Ų108.363%0.62664%0.64SS**Hα-helixtrans-66.4-34.4173.3-83-79.7000114.3S312 F316 S317 Q318S312-D314 PolarHBondContact O-N 2.76Å; S312-D314 VanDerWaalsContact O-N 3.11Å; D314-F316 VanDerWaalsContact C-N 3.3Å; D314-S317 WeakPolarHBondContact CA-OG 3.22Å; D314-S317 PolarHBondContact O-OG 3.23Å; D314-Q318 WeakPolarHBondContact O-CB 3.47Å; D314-Q318 PolarHBondContact O-N 3.28Å; D314-Q318 VanDerWaalsContact O-N 3.1Å
315L68.7Low58.9Low114 Ų114108.5 Ų108.560%0.59763%0.629SS**Hα-helixtrans-72.5-32.9176.5-149.686.1000110.5V311 S312 A319V311-L315 HydrophobicContact CG1-CB 4.41Å; V311-L315 HydrophobicContact CG1-CD2 4.45Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 3.02Å; L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.35Å
316F67.9Low59.5Low131 Ų131102.2 Ų102.258%0.57561%0.607SS**Hα-helixtrans-73.2-41.9177-178.6-102.6000112.3S312 N313 D314 Q318 A319 L320S312-F316 PolarHBondContact O-N 3.32Å; N313-F316 PolarHBondContact O-N 3.42Å; D314-F316 VanDerWaalsContact C-N 3.3Å; F316-Q318 VanDerWaalsContact C-N 3.33Å; F316-A319 PolarHBondContact O-N 3.28Å; F316-L320 VanDerWaalsContact O-CB 3.27Å; F316-L320 WeakPolarHBondContact O-CB 3.16Å; F316-L320 PolarHBondContact O-N 3Å
317S68Low59.3Low45 Ų45101.3 Ų101.332%0.31560%0.599SS.*Hα-helixtrans-64.9-39.3175.667.50000111.6N313 D314 L320 Q321N313-S317 PolarHBondContact O-N 3.4Å; N313-S317 PolarHBondContact O-OG 2.89Å; D314-S317 WeakPolarHBondContact CA-OG 3.22Å; D314-S317 PolarHBondContact O-OG 3.23Å; S317-L320 PolarHBondContact O-N 3.11Å; S317-Q321 PolarHBondContact O-N 2.87Å
318Q69.7Low60.7Low123 Ų123100.8 Ų100.858%0.57558%0.583SS**Hα-helixtrans-70.1-40.8177-162.7153.883.800111.7D314 F316 Q321 Q322D314-Q318 WeakPolarHBondContact O-CB 3.47Å; D314-Q318 PolarHBondContact O-N 3.28Å; D314-Q318 VanDerWaalsContact O-N 3.1Å; F316-Q318 VanDerWaalsContact C-N 3.33Å; Q318-Q321 PolarHBondContact O-N 3.05Å; Q318-Q322 WeakPolarHBondContact O-CB 3.27Å; Q318-Q322 WeakPolarHBondContact O-CG 3.31Å; Q318-Q322 PolarHBondContact O-N 3.28Å
319A65.2Low61.6Low48 Ų48100 Ų10040%0.39756%0.558SS.*Hα-helixtrans-66-35.4172.500000112.5L315 F316 Q322 A323L315-A319 WeakPolarHBondContact O-CB 3.38Å; L315-A319 PolarHBondContact O-N 3.35Å; F316-A319 PolarHBondContact O-N 3.28Å; A319-Q322 PolarHBondContact O-N 3.5Å; A319-A323 WeakPolarHBondContact O-CB 3.38Å; A319-A323 PolarHBondContact O-N 3.49Å
320L70.8Confident62Low98 Ų9897.6 Ų97.651%0.51355%0.546SS..Hα-helixtrans-70.1-37.9176.8-17564.7000111.7F316 S317 A323 L324F316-L320 VanDerWaalsContact O-CB 3.27Å; F316-L320 WeakPolarHBondContact O-CB 3.16Å; F316-L320 PolarHBondContact O-N 3Å; S317-L320 PolarHBondContact O-N 3.11Å; L320-A323 PolarHBondContact O-N 3.04Å; L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 PolarHBondContact O-N 2.84Å
321Q68.2Low62.4Low130 Ų13094.9 Ų94.961%0.60753%0.533SS*.Hα-helixtrans-68.1-37.6172.2-98.8147.343.600112.5S317 Q318 Q325S317-Q321 PolarHBondContact O-N 2.87Å; Q318-Q321 PolarHBondContact O-N 3.05Å; Q321-Q325 WeakPolarHBondContact O-CB 3.45Å; Q321-Q325 VanDerWaalsContact O-CG 3.26Å; Q321-Q325 WeakPolarHBondContact O-CG 3.44Å; Q321-Q325 PolarHBondContact O-N 3.4Å; Q321-Q325 PolarHBondContact O-NE2 3.46Å
322Q65.3Low62.9Low130 Ų13090.5 Ų90.561%0.60751%0.506SS*.Hα-helixtrans-68-37.4172.1-74.9178.8-35.600111.8Q318 A319 Q325 A326Q318-Q322 WeakPolarHBondContact O-CB 3.27Å; Q318-Q322 WeakPolarHBondContact O-CG 3.31Å; Q318-Q322 PolarHBondContact O-N 3.28Å; A319-Q322 PolarHBondContact O-N 3.5Å; Q322-Q325 PolarHBondContact O-N 3.09Å; Q322-A326 WeakPolarHBondContact O-CB 3.37Å; Q322-A326 PolarHBondContact O-N 3.39Å
323A56Low63.2Low46 Ų4689.8 Ų89.838%0.3849%0.494SS..Hα-helixtrans-70.8-36.5177.300000112.3A319 L320 A326 T327A319-A323 WeakPolarHBondContact O-CB 3.38Å; A319-A323 PolarHBondContact O-N 3.49Å; L320-A323 PolarHBondContact O-N 3.04Å; A323-A326 PolarHBondContact O-N 3.02Å; A323-T327 VanDerWaalsContact O-CB 3.3Å; A323-T327 WeakPolarHBondContact O-CB 3.47Å; A323-T327 PolarHBondContact O-N 2.84Å; A323-T327 PolarHBondContact O-OG1 3.04Å
324L59.7Low63.6Low127 Ų12786.1 Ų86.167%0.66549%0.486SS*.Hα-helixtrans-70.6-38.3175.6-143.392.2000111.2L320 N328L320-L324 WeakPolarHBondContact O-CB 3.23Å; L320-L324 PolarHBondContact O-N 2.84Å; L324-N328 VanDerWaalsContact O-CB 3.23Å; L324-N328 WeakPolarHBondContact O-CB 3.23Å; L324-N328 PolarHBondContact O-N 3.05Å
325Q60.9Low64.2Low128 Ų12886.2 Ų86.260%0.59848%0.478SS*.Hα-helixtrans-66.4-41.4172.1-73.7179.360.800111.7Q321 Q322 N328 M329Q321-Q325 WeakPolarHBondContact O-CB 3.45Å; Q321-Q325 VanDerWaalsContact O-CG 3.26Å; Q321-Q325 WeakPolarHBondContact O-CG 3.44Å; Q321-Q325 PolarHBondContact O-N 3.4Å; Q321-Q325 PolarHBondContact O-NE2 3.46Å; Q322-Q325 PolarHBondContact O-N 3.09Å; Q325-N328 PolarHBondContact O-N 3.29Å; Q325-M329 WeakPolarHBondContact O-CB 3.34Å; Q325-M329 WeakPolarHBondContact O-CG 3.49Å; Q325-M329 PolarHBondContact O-N 3.3Å
326A54.5Low64.6Low51 Ų5181.1 Ų81.142%0.42145%0.451SS..Hα-helixtrans-65.6-41.2175.300000112Q322 A323 M329 S330Q322-A326 WeakPolarHBondContact O-CB 3.37Å; Q322-A326 PolarHBondContact O-N 3.39Å; A323-A326 PolarHBondContact O-N 3.02Å; A326-M329 PolarHBondContact O-N 2.88Å; A326-S330 WeakPolarHBondContact O-CB 3.34Å; A326-S330 PolarHBondContact O-N 3.24Å; A326-S330 PolarHBondContact O-OG 3.36Å; A326-S330 VanDerWaalsContact O-OG 3.06Å
327T56.3Low65.1Low95 Ų9581.3 Ų81.358%0.58345%0.454SS*.Hα-helixtrans-67.3-39.1176.4-55.30000111.1A323 S330 A331A323-T327 VanDerWaalsContact O-CB 3.3Å; A323-T327 WeakPolarHBondContact O-CB 3.47Å; A323-T327 PolarHBondContact O-N 2.84Å; A323-T327 PolarHBondContact O-OG1 3.04Å; T327-S330 PolarHBondContact O-N 3.24Å; T327-A331 WeakPolarHBondContact O-CB 3.35Å; T327-A331 PolarHBondContact O-N 3.43Å
328N62.1Low65.7Low85 Ų8583.5 Ų83.546%0.45547%0.469SS..Hα-helixtrans-65.1-45.8173.6-163.343000110.4L324 Q325 S330 A331 L332L324-N328 VanDerWaalsContact O-CB 3.23Å; L324-N328 WeakPolarHBondContact O-CB 3.23Å; L324-N328 PolarHBondContact O-N 3.05Å; Q325-N328 PolarHBondContact O-N 3.29Å; N328-S330 VanDerWaalsContact C-N 3.34Å; N328-S330 PolarHBondContact O-N 3.14Å; N328-A331 PolarHBondContact O-N 2.89Å; N328-L332 WeakPolarHBondContact O-CB 3.44Å; N328-L332 WeakPolarHBondContact O-CD1 3.23Å; N328-L332 WeakPolarHBondContact O-CG 3.39Å; N328-L332 PolarHBondContact O-N 3.31Å
329M58.3Low66.2Low69 Ų6980 Ų8034%0.3445%0.452SS..Hα-helixtrans-58.3-42174.3-74.3-75.6109.100112.3Q325 A326 L332 Q333Q325-M329 WeakPolarHBondContact O-CB 3.34Å; Q325-M329 WeakPolarHBondContact O-CG 3.49Å; Q325-M329 PolarHBondContact O-N 3.3Å; A326-M329 PolarHBondContact O-N 2.88Å; M329-L332 HydrophobicContact CE-CD1 4.02Å; M329-L332 PolarHBondContact O-N 3.26Å; M329-Q333 WeakPolarHBondContact O-CB 3.22Å; M329-Q333 VanDerWaalsContact O-CG 3.31Å; M329-Q333 WeakPolarHBondContact O-CG 3.2Å; M329-Q333 PolarHBondContact O-N 2.89Å
330S62.6Low66.9Low72 Ų7278.1 Ų78.150%0.50344%0.436SS..Hα-helixtrans-71.2-38177.4-61.70000113.4A326 T327 N328 L332 Q333 G334A326-S330 WeakPolarHBondContact O-CB 3.34Å; A326-S330 PolarHBondContact O-N 3.24Å; A326-S330 PolarHBondContact O-OG 3.36Å; A326-S330 VanDerWaalsContact O-OG 3.06Å; T327-S330 PolarHBondContact O-N 3.24Å; N328-S330 VanDerWaalsContact C-N 3.34Å; N328-S330 PolarHBondContact O-N 3.14Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-Q333 PolarHBondContact O-N 3.04Å; S330-G334 PolarHBondContact O-N 3.42Å; S330-G334 VanDerWaalsContact O-N 3.17Å
331A64.5Low67.4Low65 Ų6578.4 Ų78.454%0.53743%0.434SS..Hα-helixtrans-66.6-38.4174.200000111.6T327 N328 G334 R335T327-A331 WeakPolarHBondContact O-CB 3.35Å; T327-A331 PolarHBondContact O-N 3.43Å; N328-A331 PolarHBondContact O-N 2.89Å; A331-G334 PolarHBondContact O-N 3.4Å; A331-R335 PolarHBondContact O-N 3.42Å
332L64.1Low68Low27 Ų2777.1 Ų77.114%0.14143%0.428CS..Hα-helixtrans-68.7-40.8175.8-75.7176.6000112.2N328 M329 S330 G334 R335 W336N328-L332 WeakPolarHBondContact O-CB 3.44Å; N328-L332 WeakPolarHBondContact O-CD1 3.23Å; N328-L332 WeakPolarHBondContact O-CG 3.39Å; N328-L332 PolarHBondContact O-N 3.31Å; M329-L332 HydrophobicContact CE-CD1 4.02Å; M329-L332 PolarHBondContact O-N 3.26Å; S330-L332 VanDerWaalsContact C-N 3.33Å; L332-G334 PolarHBondContact O-N 2.68Å; L332-R335 PolarHBondContact O-N 2.92Å; L332-R335 VanDerWaalsContact O-N 3.14Å; L332-W336 HydrophobicContact CB-CE3 3.58Å; L332-W336 HydrophobicContact CB-CH2 4.34Å; L332-W336 HydrophobicContact CB-CZ3 3.3Å; L332-W336 HydrophobicContact CD1-CH2 4.32Å; L332-W336 HydrophobicContact CD1-CZ3 3.79Å; L332-W336 HydrophobicContact CD2-CE3 4Å; L332-W336 HydrophobicContact CD2-CH2 3.22Å; L332-W336 HydrophobicContact CD2-CZ2 4.29Å; L332-W336 HydrophobicContact CD2-CZ3 3.1Å; L332-W336 HydrophobicContact CG-CE3 4.24Å; L332-W336 HydrophobicContact CG-CH2 4.08Å; L332-W336 HydrophobicContact CG-CZ3 3.47Å; L332-W336 VanDerWaalsContact CG-CZ3 3.47Å; L332-W336 PolarHBondContact O-N 3.26Å
333Q63.3Low68.6Low59 Ų5970.9 Ų70.928%0.27640%0.399SS..Hα-helixtrans-56.7-36169.5-84.1174.5-28.900111.9M329 S330 Q337 E351 L355M329-Q333 WeakPolarHBondContact O-CB 3.22Å; M329-Q333 VanDerWaalsContact O-CG 3.31Å; M329-Q333 WeakPolarHBondContact O-CG 3.2Å; M329-Q333 PolarHBondContact O-N 2.89Å; S330-Q333 PolarHBondContact O-N 3.04Å; Q333-Q337 WeakPolarHBondContact O-CA 3.35Å; Q333-Q337 WeakPolarHBondContact O-CB 3.23Å; Q333-Q337 PolarHBondContact O-N 2.78Å; Q333-E351 PolarHBondContact NE2-OE1 3.23Å; Q333-L355 HydrophobicContact CG-CD1 3.8Å; Q333-L355 HydrophobicContact CG-CD2 3.91Å; Q333-L355 HydrophobicContact CG-CG 4.45Å
334G67.9Low69.8Low49 Ų4974.3 Ų74.351%0.50540%0.402SS..Hα-helixtrans-67.4-40.6174.800000113.7S330 A331 L332S330-G334 PolarHBondContact O-N 3.42Å; S330-G334 VanDerWaalsContact O-N 3.17Å; A331-G334 PolarHBondContact O-N 3.4Å; L332-G334 PolarHBondContact O-N 2.68Å
335R74.6Confident70.9Confident118 Ų11874.9 Ų74.945%0.44541%0.406SS..Hα-helixtrans-65.4-39.5175.9174.7-163.6-170-66.819.4112.1A331 L332 D362A331-R335 PolarHBondContact O-N 3.42Å; L332-R335 PolarHBondContact O-N 2.92Å; L332-R335 VanDerWaalsContact O-N 3.14Å; R335-D362 PolarHBondContact NH1-O 3.23Å; R335-D362 PolarHBondContact NH2-O 3.49Å; R335-D362 IonicContact NH2-OD1 3.48Å; R335-D362 IonicContact NH2-OD2 3.76Å; R335-D362 PolarHBondContact NH2-OD2 2.75Å
336W77.4Confident71.4Confident8 Ų873.5 Ų73.53%0.0340%0.401CS..THydrogen-bonded Turntrans-103.811.7-171.5-69.5-63.4000114.2L332 S338 Q339 L340 L355 L358 Q359 G363L332-W336 HydrophobicContact CB-CE3 3.58Å; L332-W336 HydrophobicContact CB-CH2 4.34Å; L332-W336 HydrophobicContact CB-CZ3 3.3Å; L332-W336 HydrophobicContact CD1-CH2 4.32Å; L332-W336 HydrophobicContact CD1-CZ3 3.79Å; L332-W336 HydrophobicContact CD2-CE3 4Å; L332-W336 HydrophobicContact CD2-CH2 3.22Å; L332-W336 HydrophobicContact CD2-CZ2 4.29Å; L332-W336 HydrophobicContact CD2-CZ3 3.1Å; L332-W336 HydrophobicContact CG-CE3 4.24Å; L332-W336 HydrophobicContact CG-CH2 4.08Å; L332-W336 HydrophobicContact CG-CZ3 3.47Å; L332-W336 VanDerWaalsContact CG-CZ3 3.47Å; L332-W336 PolarHBondContact O-N 3.26Å; W336-S338 VanDerWaalsContact C-N 3.3Å; W336-S338 PolarHBondContact O-N 3.12Å; W336-Q339 PolarHBondContact O-N 3.49Å; W336-Q339 VanDerWaalsContact O-N 3.11Å; W336-L340 HydrophobicContact CB-CD1 4.43Å; W336-L340 HydrophobicContact CB-CG 4.38Å; W336-L340 WeakPolarHBondContact O-CB 3.39Å; W336-L340 VanDerWaalsContact O-CG 3.32Å; W336-L340 WeakPolarHBondContact O-CG 3.1Å; W336-L340 PolarHBondContact O-N 2.91Å; W336-L355 HydrophobicContact CE3-CD2 4.38Å; W336-L358 HydrophobicContact CB-CD1 4.18Å; W336-L358 HydrophobicContact CD2-CB 4.48Å; W336-L358 HydrophobicContact CG-CB 4.39Å; W336-L358 HydrophobicContact CG-CD1 4.4Å; W336-Q359 HydrophobicContact CH2-CB 4.46Å; W336-G363 VanDerWaalsContact NE1-CA 3.27Å
337Q77.8Confident72.2Confident135 Ų13573.4 Ų73.463%0.63141%0.405SS*.Hα-helixtrans-58.3-40.4-174.8-165.3157.181.700112.7Q333 Q341Q333-Q337 WeakPolarHBondContact O-CA 3.35Å; Q333-Q337 WeakPolarHBondContact O-CB 3.23Å; Q333-Q337 PolarHBondContact O-N 2.78Å; Q337-Q341 WeakPolarHBondContact O-CB 3.37Å; Q337-Q341 PolarHBondContact O-N 3.49Å
338S80.3Confident72.8Confident90 Ų9069.6 Ų69.663%0.62938%0.381SS*.Hα-helixtrans-67.4-39.6177.4-54.10000112.2W336 Q341 Q342W336-S338 VanDerWaalsContact C-N 3.3Å; W336-S338 PolarHBondContact O-N 3.12Å; S338-Q341 PolarHBondContact O-N 3.04Å; S338-Q342 WeakPolarHBondContact O-CB 3.49Å; S338-Q342 PolarHBondContact O-N 3.06Å
339Q81.5Confident73.3Confident49 Ų4972.6 Ų72.623%0.22939%0.392CS..Hα-helixtrans-72.2-41.2-179.5-67.779.4-8.500111.1W336 Q341 Q342 L343 L358 I365W336-Q339 PolarHBondContact O-N 3.49Å; W336-Q339 VanDerWaalsContact O-N 3.11Å; Q339-Q341 VanDerWaalsContact C-N 3.35Å; Q339-Q342 PolarHBondContact O-N 2.75Å; Q339-L343 WeakPolarHBondContact O-CG 3.38Å; Q339-L343 PolarHBondContact O-N 3.07Å; Q339-L358 HydrophobicContact CB-CD1 4.01Å; Q339-L358 HydrophobicContact CB-CD2 4.09Å; Q339-I365 HydrophobicContact CB-CD1 4.3Å; Q339-I365 HydrophobicContact CB-CG1 4.1Å; Q339-I365 HydrophobicContact CG-CD1 3.88Å; Q339-I365 HydrophobicContact CG-CG1 3.79Å
340L79.7Confident74.3Confident10 Ų1074.2 Ų74.25%0.05240%0.402CS..Hα-helixtrans-63.7-40.1172.9-71171.5000111.6W336 Q342 L343 R344 E351 M354 L355 L358W336-L340 HydrophobicContact CB-CD1 4.43Å; W336-L340 HydrophobicContact CB-CG 4.38Å; W336-L340 WeakPolarHBondContact O-CB 3.39Å; W336-L340 VanDerWaalsContact O-CG 3.32Å; W336-L340 WeakPolarHBondContact O-CG 3.1Å; W336-L340 PolarHBondContact O-N 2.91Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.49Å; L340-L343 PolarHBondContact O-N 3.29Å; L340-R344 VanDerWaalsContact O-CB 3.28Å; L340-R344 WeakPolarHBondContact O-CB 3.09Å; L340-R344 PolarHBondContact O-N 3.43Å; L340-E351 HydrophobicContact CD1-CG 4.47Å; L340-E351 HydrophobicContact CD2-CG 4.45Å; L340-M354 HydrophobicContact CD2-CB 3.38Å; L340-M354 HydrophobicContact CD2-CE 4.29Å; L340-M354 HydrophobicContact CD2-CG 4.46Å; L340-M354 HydrophobicContact CD2-SD 4.4Å; L340-L355 HydrophobicContact CD1-CD2 3.81Å; L340-L355 HydrophobicContact CD1-CG 4.18Å; L340-L355 HydrophobicContact CD2-CD2 4.42Å; L340-L355 HydrophobicContact CD2-CG 4.22Å; L340-L358 HydrophobicContact CD2-CD1 3.71Å; L340-L358 HydrophobicContact CG-CD1 4Å
341Q79.9Confident74.9Confident104 Ų10474 Ų7449%0.48639%0.393SS..Hα-helixtrans-65-37.2175.7-171.462.349.200111.5Q337 S338 Q339 R344 D345Q337-Q341 WeakPolarHBondContact O-CB 3.37Å; Q337-Q341 PolarHBondContact O-N 3.49Å; S338-Q341 PolarHBondContact O-N 3.04Å; Q339-Q341 VanDerWaalsContact C-N 3.35Å; Q341-R344 PolarHBondContact O-N 3.22Å; Q341-D345 WeakPolarHBondContact O-CB 3.49Å; Q341-D345 PolarHBondContact O-N 2.76Å
342Q81.6Confident75.5Confident102 Ų10277.7 Ų77.748%0.47740%0.399SS..Hα-helixtrans-70.2-39.3176.3-172.2175.1-33.800112.5S338 Q339 L340 R344 D345 M346S338-Q342 WeakPolarHBondContact O-CB 3.49Å; S338-Q342 PolarHBondContact O-N 3.06Å; Q339-Q342 PolarHBondContact O-N 2.75Å; L340-Q342 VanDerWaalsContact C-N 3.31Å; L340-Q342 PolarHBondContact O-N 3.49Å; Q342-R344 VanDerWaalsContact C-N 3.33Å; Q342-D345 PolarHBondContact O-N 3.33Å; Q342-M346 PolarHBondContact O-N 3.19Å
343L77.5Confident76.2Confident0 Ų078.9 Ų78.90%041%0.405CS..Hα-helixtrans-67.4-35173.2-69170.4000111.8Q339 L340 M346 G347 I348 M354 L358 I365 L369Q339-L343 WeakPolarHBondContact O-CG 3.38Å; Q339-L343 PolarHBondContact O-N 3.07Å; L340-L343 PolarHBondContact O-N 3.29Å; L343-M346 HydrophobicContact CD2-CE 4.38Å; L343-M346 PolarHBondContact O-N 2.81Å; L343-G347 PolarHBondContact O-N 2.7Å; L343-I348 HydrophobicContact CD2-CD1 4.11Å; L343-I348 PolarHBondContact O-N 3.44Å; L343-I348 VanDerWaalsContact O-N 3.09Å; L343-M354 HydrophobicContact CB-CG 4.17Å; L343-M354 HydrophobicContact CB-SD 3.28Å; L343-M354 WeakPolarHBondContact CB-SD 3.39Å; L343-M354 HydrophobicContact CD1-CB 3.92Å; L343-M354 HydrophobicContact CD1-CG 3.93Å; L343-M354 HydrophobicContact CD1-SD 4.06Å; L343-M354 HydrophobicContact CG-SD 4.3Å; L343-L358 HydrophobicContact CD1-CD1 3.79Å; L343-L358 HydrophobicContact CD1-CD2 4.36Å; L343-L358 HydrophobicContact CD1-CG 4.07Å; L343-I365 HydrophobicContact CD2-CG2 3.87Å; L343-I365 HydrophobicContact CG-CG2 4.3Å; L343-L369 HydrophobicContact CD2-CD1 4.15Å; L343-L369 HydrophobicContact CD2-CD2 3.48Å; L343-L369 VanDerWaalsContact CD2-CD2 3.48Å; L343-L369 HydrophobicContact CD2-CG 3.56Å
344R81.1Confident76.8Confident117 Ų11776.1 Ų76.144%0.44239%0.392SS..Hα-helixtrans-65-42.8172.9-174.5-171.9-64.4-159.7-1.4112.1L340 Q341 Q342 M346 G347 I348 E351L340-R344 VanDerWaalsContact O-CB 3.28Å; L340-R344 WeakPolarHBondContact O-CB 3.09Å; L340-R344 PolarHBondContact O-N 3.43Å; Q341-R344 PolarHBondContact O-N 3.22Å; Q342-R344 VanDerWaalsContact C-N 3.33Å; R344-M346 PolarHBondContact O-N 3.42Å; R344-G347 PolarHBondContact O-N 2.87Å; R344-I348 WeakPolarHBondContact CA-O 3.23Å; R344-E351 IonicContact NH2-OE2 3.26Å; R344-E351 PolarHBondContact NH2-OE2 3.12Å; R344-E351 VanDerWaalsContact NH2-OE2 3.16Å
345D82.4Confident77.3Confident140 Ų14074.3 Ų74.375%0.74937%0.371SS*.Hα-helixtrans-63.1-30.8176.9-162.9-109.4000111.9Q341 Q342 G347Q341-D345 WeakPolarHBondContact O-CB 3.49Å; Q341-D345 PolarHBondContact O-N 2.76Å; Q342-D345 PolarHBondContact O-N 3.33Å; D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.44Å
346M72.3Confident77.4Confident99 Ų9974.7 Ų74.749%0.48837%0.373SS..THydrogen-bonded Turntrans-833.8173.1-67.5-159.5-6300114.7Q342 L343 R344 L369Q342-M346 PolarHBondContact O-N 3.19Å; L343-M346 HydrophobicContact CD2-CE 4.38Å; L343-M346 PolarHBondContact O-N 2.81Å; R344-M346 PolarHBondContact O-N 3.42Å; M346-L369 HydrophobicContact CE-CD1 3.35Å; M346-L369 HydrophobicContact CE-CD2 3.86Å; M346-L369 HydrophobicContact CE-CG 4.17Å
347G71.5Confident77.6Confident49 Ų4974.7 Ų74.751%0.50537%0.374SS..THydrogen-bonded Turntrans97.38.6170.200000116L343 R344 D345L343-G347 PolarHBondContact O-N 2.7Å; R344-G347 PolarHBondContact O-N 2.87Å; D345-G347 VanDerWaalsContact C-N 3.27Å; D345-G347 PolarHBondContact O-N 3.44Å
348I69.1Low77.7Confident14 Ų1468.2 Ų68.27%0.07234%0.344CS..  trans-87.7112.6174.4-57.5166.9000108.6L343 R344 M354 L369 I372 F373L343-I348 HydrophobicContact CD2-CD1 4.11Å; L343-I348 PolarHBondContact O-N 3.44Å; L343-I348 VanDerWaalsContact O-N 3.09Å; R344-I348 WeakPolarHBondContact CA-O 3.23Å; I348-M354 HydrophobicContact CB-CG 4.29Å; I348-M354 HydrophobicContact CB-SD 3.88Å; I348-M354 HydrophobicContact CG2-CG 3.52Å; I348-M354 HydrophobicContact CG2-SD 3.7Å; I348-M354 WeakPolarHBondContact O-CE 3.49Å; I348-L369 HydrophobicContact CD1-CD2 3.47Å; I348-L369 VanDerWaalsContact CD1-CD2 3.47Å; I348-I372 HydrophobicContact CD1-CD1 4.08Å; I348-I372 HydrophobicContact CD1-CG2 4.07Å; I348-I372 HydrophobicContact CG2-CG2 4.4Å; I348-F373 HydrophobicContact CD1-CE2 3.92Å; I348-F373 HydrophobicContact CD1-CZ 4.28Å; I348-F373 HydrophobicContact CG1-CE2 4.45Å; I348-F373 HydrophobicContact CG1-CZ 4.31Å
349Q73.1Confident77.7Confident149 Ų14968.8 Ų68.870%0.69634%0.337SS*.  trans-91-18.9-178-102.88994.200113.9E351Q349-E351 PolarHBondContact O-N 3.35Å; Q349-E351 VanDerWaalsContact O-N 3.09Å
350D78.3Confident77.6Confident103 Ų10370.1 Ų70.155%0.55136%0.356SS*.  trans-8192.1-174.1-71.3-62.7000112.3E352 L353 M354D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.09Å; D350-L353 HydrophobicContact CB-CB 3.93Å; D350-L353 HydrophobicContact CB-CD1 3.9Å; D350-L353 HydrophobicContact CB-CG 4.09Å; D350-L353 PolarHBondContact O-N 3.41Å; D350-M354 WeakPolarHBondContact O-CG 3.5Å; D350-M354 PolarHBondContact O-N 3.44Å
351E74.8Confident77.7Confident66 Ų6670.9 Ų70.931%0.30836%0.361SS..Hα-helixtrans-61.2-33.2-177.6-162.9170.2122.500113.2Q333 L340 R344 Q349 M354 L355Q333-E351 PolarHBondContact NE2-OE1 3.23Å; L340-E351 HydrophobicContact CD1-CG 4.47Å; L340-E351 HydrophobicContact CD2-CG 4.45Å; R344-E351 IonicContact NH2-OE2 3.26Å; R344-E351 PolarHBondContact NH2-OE2 3.12Å; R344-E351 VanDerWaalsContact NH2-OE2 3.16Å; Q349-E351 PolarHBondContact O-N 3.35Å; Q349-E351 VanDerWaalsContact O-N 3.09Å; E351-M354 VanDerWaalsContact CA-CE 3.49Å; E351-M354 HydrophobicContact CB-CE 4.15Å; E351-M354 HydrophobicContact CG-CE 4.43Å; E351-M354 PolarHBondContact O-N 3.1Å; E351-L355 HydrophobicContact CG-CD1 4.22Å; E351-L355 VanDerWaalsContact O-CB 3.3Å; E351-L355 WeakPolarHBondContact O-CB 3.46Å; E351-L355 VanDerWaalsContact O-CG 3.25Å; E351-L355 WeakPolarHBondContact O-CG 3.47Å; E351-L355 PolarHBondContact O-N 2.93Å
352E77.3Confident77.6Confident144 Ų14471.6 Ų71.667%0.67337%0.368SS*.Hα-helixtrans-69-39.3177.4-163.5180122.500112.2D350 R356D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.09Å; E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 PolarHBondContact O-N 3.18Å
353L78.6Confident77.2Confident51 Ų5167.6 Ų67.627%0.26735%0.354SS..Hα-helixtrans-67.9-43.2174.5-78.3-179.9000111.5D350 L355 R356 A357 L379D350-L353 HydrophobicContact CB-CB 3.93Å; D350-L353 HydrophobicContact CB-CD1 3.9Å; D350-L353 HydrophobicContact CB-CG 4.09Å; D350-L353 PolarHBondContact O-N 3.41Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 PolarHBondContact O-N 3.47Å; L353-R356 PolarHBondContact O-N 3.29Å; L353-A357 VanDerWaalsContact O-CB 3.25Å; L353-A357 WeakPolarHBondContact O-CB 3.4Å; L353-A357 PolarHBondContact O-N 2.78Å; L353-L379 HydrophobicContact CD1-CD1 4.47Å; L353-L379 HydrophobicContact CD2-CD1 3.4Å; L353-L379 VanDerWaalsContact CD2-CD1 3.4Å; L353-L379 HydrophobicContact CD2-CD2 3.18Å; L353-L379 HydrophobicContact CD2-CG 3.9Å
354M76.4Confident77.4Confident1 Ų171.8 Ų71.81%0.00538%0.376CS..Hα-helixtrans-63.2-41.8176.9-64.8-175-70.400111.5L340 L343 I348 D350 E351 A357 L358 I372L340-M354 HydrophobicContact CD2-CB 3.38Å; L340-M354 HydrophobicContact CD2-CE 4.29Å; L340-M354 HydrophobicContact CD2-CG 4.46Å; L340-M354 HydrophobicContact CD2-SD 4.4Å; L343-M354 HydrophobicContact CB-CG 4.17Å; L343-M354 HydrophobicContact CB-SD 3.28Å; L343-M354 WeakPolarHBondContact CB-SD 3.39Å; L343-M354 HydrophobicContact CD1-CB 3.92Å; L343-M354 HydrophobicContact CD1-CG 3.93Å; L343-M354 HydrophobicContact CD1-SD 4.06Å; L343-M354 HydrophobicContact CG-SD 4.3Å; I348-M354 HydrophobicContact CB-CG 4.29Å; I348-M354 HydrophobicContact CB-SD 3.88Å; I348-M354 HydrophobicContact CG2-CG 3.52Å; I348-M354 HydrophobicContact CG2-SD 3.7Å; I348-M354 WeakPolarHBondContact O-CE 3.49Å; D350-M354 WeakPolarHBondContact O-CG 3.5Å; D350-M354 PolarHBondContact O-N 3.44Å; E351-M354 VanDerWaalsContact CA-CE 3.49Å; E351-M354 HydrophobicContact CB-CE 4.15Å; E351-M354 HydrophobicContact CG-CE 4.43Å; E351-M354 PolarHBondContact O-N 3.1Å; M354-A357 PolarHBondContact O-N 3.27Å; M354-L358 WeakPolarHBondContact O-CB 3.48Å; M354-L358 WeakPolarHBondContact O-CD1 3.16Å; M354-L358 WeakPolarHBondContact O-CG 2.93Å; M354-L358 PolarHBondContact O-N 3.29Å; M354-I372 HydrophobicContact CG-CD1 4.21Å
355L77.8Confident77.4Confident12 Ų1267.8 Ų67.86%0.06336%0.364CS..Hα-helixtrans-63.8-44.3175.3-79.7167.6000111.9Q333 W336 L340 E351 L353 Q359Q333-L355 HydrophobicContact CG-CD1 3.8Å; Q333-L355 HydrophobicContact CG-CD2 3.91Å; Q333-L355 HydrophobicContact CG-CG 4.45Å; W336-L355 HydrophobicContact CE3-CD2 4.38Å; L340-L355 HydrophobicContact CD1-CD2 3.81Å; L340-L355 HydrophobicContact CD1-CG 4.18Å; L340-L355 HydrophobicContact CD2-CD2 4.42Å; L340-L355 HydrophobicContact CD2-CG 4.22Å; E351-L355 HydrophobicContact CG-CD1 4.22Å; E351-L355 VanDerWaalsContact O-CB 3.3Å; E351-L355 WeakPolarHBondContact O-CB 3.46Å; E351-L355 VanDerWaalsContact O-CG 3.25Å; E351-L355 WeakPolarHBondContact O-CG 3.47Å; E351-L355 PolarHBondContact O-N 2.93Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 PolarHBondContact O-N 3.47Å; L355-Q359 WeakPolarHBondContact O-CB 3.36Å; L355-Q359 PolarHBondContact O-N 3.29Å
356R78Confident77.1Confident126 Ų12667.7 Ų67.748%0.47536%0.358SS..Hα-helixtrans-65.4-41.6177.6-179.4168.6-76.7146.14.3111.9E352 L353 Q359 A360E352-R356 WeakPolarHBondContact O-CB 3.45Å; E352-R356 PolarHBondContact O-N 3.18Å; L353-R356 PolarHBondContact O-N 3.29Å; R356-Q359 PolarHBondContact O-N 3.05Å; R356-A360 WeakPolarHBondContact O-CB 3.27Å; R356-A360 PolarHBondContact O-N 3.45Å
357A81.1Confident77.5Confident7 Ų764.5 Ų64.56%0.05835%0.348CS..Hα-helixtrans-67-46.5176.700000111.4L353 M354 Q359 A360 T361 A368 I372L353-A357 VanDerWaalsContact O-CB 3.25Å; L353-A357 WeakPolarHBondContact O-CB 3.4Å; L353-A357 PolarHBondContact O-N 2.78Å; M354-A357 PolarHBondContact O-N 3.27Å; A357-Q359 VanDerWaalsContact C-N 3.28Å; A357-Q359 PolarHBondContact O-N 3Å; A357-A360 WeakPolarHBondContact O-CB 3.4Å; A357-A360 PolarHBondContact O-N 3.48Å; A357-A360 VanDerWaalsContact O-N 3.13Å; A357-T361 WeakPolarHBondContact O-CG2 3.42Å; A357-T361 PolarHBondContact O-N 3.48Å; A357-T361 PolarHBondContact O-OG1 2.91Å; A357-T361 VanDerWaalsContact O-OG1 3.05Å; A357-A368 HydrophobicContact CB-CB 3.88Å; A357-I372 HydrophobicContact CB-CD1 3.84Å; A357-I372 HydrophobicContact CB-CG1 3.75Å
358L80.4Confident77.9Confident0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-65.9-30.5176.6-73.9166.9000112.7W336 Q339 L340 L343 M354 D362 G363 A368W336-L358 HydrophobicContact CB-CD1 4.18Å; W336-L358 HydrophobicContact CD2-CB 4.48Å; W336-L358 HydrophobicContact CG-CB 4.39Å; W336-L358 HydrophobicContact CG-CD1 4.4Å; Q339-L358 HydrophobicContact CB-CD1 4.01Å; Q339-L358 HydrophobicContact CB-CD2 4.09Å; L340-L358 HydrophobicContact CD2-CD1 3.71Å; L340-L358 HydrophobicContact CG-CD1 4Å; L343-L358 HydrophobicContact CD1-CD1 3.79Å; L343-L358 HydrophobicContact CD1-CD2 4.36Å; L343-L358 HydrophobicContact CD1-CG 4.07Å; M354-L358 WeakPolarHBondContact O-CB 3.48Å; M354-L358 WeakPolarHBondContact O-CD1 3.16Å; M354-L358 WeakPolarHBondContact O-CG 2.93Å; M354-L358 PolarHBondContact O-N 3.29Å; L358-D362 CarbonylContact O-C 3.55Å; L358-D362 WeakPolarHBondContact O-CA 3.2Å; L358-D362 PolarHBondContact O-N 3.44Å; L358-G363 PolarHBondContact O-N 2.57Å; L358-A368 HydrophobicContact CD2-CB 4.02Å; L358-A368 HydrophobicContact CG-CB 4.23Å
359Q79.9Confident78.3Confident102 Ų10262.4 Ų62.448%0.47733%0.326SS..Hα-helixtrans-69.8-41.6171.2-178.3179.5-13.100111.2W336 L355 R356 A357 T361 D362W336-Q359 HydrophobicContact CH2-CB 4.46Å; L355-Q359 WeakPolarHBondContact O-CB 3.36Å; L355-Q359 PolarHBondContact O-N 3.29Å; R356-Q359 PolarHBondContact O-N 3.05Å; A357-Q359 VanDerWaalsContact C-N 3.28Å; A357-Q359 PolarHBondContact O-N 3Å; Q359-T361 VanDerWaalsContact C-N 3.26Å; Q359-T361 PolarHBondContact O-N 2.89Å; Q359-D362 PolarHBondContact O-N 3.36Å
360A79.9Confident78.7Confident76 Ų7661.9 Ų61.963%0.62832%0.323SS*.Hα-helixtrans-66.3-29.1176.800000112.5R356 A357 L371R356-A360 WeakPolarHBondContact O-CB 3.27Å; R356-A360 PolarHBondContact O-N 3.45Å; A357-A360 WeakPolarHBondContact O-CB 3.4Å; A357-A360 PolarHBondContact O-N 3.48Å; A357-A360 VanDerWaalsContact O-N 3.13Å; A360-L371 HydrophobicContact CB-CD1 4.06Å
361T81.1Confident78.6Confident27 Ų2760.7 Ų60.717%0.16632%0.316CS..THydrogen-bonded Turntrans-105.310.7-177.966.80000113.8A357 Q359 G363 D364 A367 A368 L371A357-T361 WeakPolarHBondContact O-CG2 3.42Å; A357-T361 PolarHBondContact O-N 3.48Å; A357-T361 PolarHBondContact O-OG1 2.91Å; A357-T361 VanDerWaalsContact O-OG1 3.05Å; Q359-T361 VanDerWaalsContact C-N 3.26Å; Q359-T361 PolarHBondContact O-N 2.89Å; T361-G363 PolarHBondContact O-N 2.75Å; T361-D364 PolarHBondContact O-N 3.05Å; T361-D364 PolarHBondContact OG1-N 2.93Å; T361-D364 PolarHBondContact OG1-O 3.34Å; T361-A367 HydrophobicContact CG2-CB 3.56Å; T361-A368 HydrophobicContact CG2-CB 4.42Å; T361-L371 HydrophobicContact CG2-CD1 3.52Å
362D78Confident78.8Confident119 Ų11959.4 Ų59.464%0.63631%0.311SS*.THydrogen-bonded Turntrans51.324.5-177.6-163-124.6000114.9R335 L358 Q359R335-D362 PolarHBondContact NH1-O 3.23Å; R335-D362 PolarHBondContact NH2-O 3.49Å; R335-D362 IonicContact NH2-OD1 3.48Å; R335-D362 IonicContact NH2-OD2 3.76Å; R335-D362 PolarHBondContact NH2-OD2 2.75Å; L358-D362 CarbonylContact O-C 3.55Å; L358-D362 WeakPolarHBondContact O-CA 3.2Å; L358-D362 PolarHBondContact O-N 3.44Å; Q359-D362 PolarHBondContact O-N 3.36Å
363G72.4Confident78.6Confident17 Ų1759.7 Ų59.718%0.17531%0.31CS..THydrogen-bonded Turntrans99.911.9-179.600000116W336 L358 T361 I365W336-G363 VanDerWaalsContact NE1-CA 3.27Å; L358-G363 PolarHBondContact O-N 2.57Å; T361-G363 PolarHBondContact O-N 2.75Å; G363-I365 PolarHBondContact O-N 3.21Å
364D82Confident78.2Confident88 Ų8860.7 Ų60.747%0.47133%0.326SS..  trans-77.6115.4167.8-168.1-32.9000110.6T361 Q366 A367 A368T361-D364 PolarHBondContact O-N 3.05Å; T361-D364 PolarHBondContact OG1-N 2.93Å; T361-D364 PolarHBondContact OG1-O 3.34Å; D364-Q366 PolarHBondContact OD1-N 2.79Å; D364-A367 HydrophobicContact CB-CB 4.11Å; D364-A367 PolarHBondContact OD1-N 3.17Å; D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 3.37Å
365I80.6Confident77.5Confident34 Ų3463.7 Ų63.717%0.17436%0.357CS..Hα-helixtrans-67.4-38.6-178.6-54.7175.2000110.9Q339 L343 G363 A368 L369Q339-I365 HydrophobicContact CB-CD1 4.3Å; Q339-I365 HydrophobicContact CB-CG1 4.1Å; Q339-I365 HydrophobicContact CG-CD1 3.88Å; Q339-I365 HydrophobicContact CG-CG1 3.79Å; L343-I365 HydrophobicContact CD2-CG2 3.87Å; L343-I365 HydrophobicContact CG-CG2 4.3Å; G363-I365 PolarHBondContact O-N 3.21Å; I365-A368 PolarHBondContact O-N 3.42Å; I365-L369 HydrophobicContact CG2-CD1 3.97Å; I365-L369 WeakPolarHBondContact O-CD1 3.44Å; I365-L369 VanDerWaalsContact O-CG 3.22Å; I365-L369 WeakPolarHBondContact O-CG 3.25Å; I365-L369 PolarHBondContact O-N 3.03Å
366Q77.8Confident76Confident137 Ų13764.4 Ų64.464%0.6437%0.367SS*.Hα-helixtrans-73.5-43.7-174.2-170.866.812.600110.8D364 A368 L369 E370D364-Q366 PolarHBondContact OD1-N 2.79Å; Q366-A368 VanDerWaalsContact C-N 3.3Å; Q366-A368 PolarHBondContact O-N 3.15Å; Q366-L369 PolarHBondContact O-N 2.72Å; Q366-E370 PolarHBondContact O-N 2.92Å
367A78.9Confident74.5Confident33 Ų3365.3 Ų65.327%0.27339%0.39SS..Hα-helixtrans-66.6-34.7173.400000111.6T361 D364 E370 L371T361-A367 HydrophobicContact CG2-CB 3.56Å; D364-A367 HydrophobicContact CB-CB 4.11Å; D364-A367 PolarHBondContact OD1-N 3.17Å; A367-E370 PolarHBondContact O-N 3.46Å; A367-L371 PolarHBondContact O-N 2.9Å
368A80.1Confident73.4Confident0 Ų068.1 Ų68.10%042%0.419CS..Hα-helixtrans-66.2-41.1176.600000111.1A357 L358 T361 D364 I365 Q366 L371 I372A357-A368 HydrophobicContact CB-CB 3.88Å; L358-A368 HydrophobicContact CD2-CB 4.02Å; L358-A368 HydrophobicContact CG-CB 4.23Å; T361-A368 HydrophobicContact CG2-CB 4.42Å; D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 3.37Å; I365-A368 PolarHBondContact O-N 3.42Å; Q366-A368 VanDerWaalsContact C-N 3.3Å; Q366-A368 PolarHBondContact O-N 3.15Å; A368-L371 PolarHBondContact O-N 2.89Å; A368-I372 WeakPolarHBondContact O-CB 3.48Å; A368-I372 WeakPolarHBondContact O-CD1 3.37Å; A368-I372 WeakPolarHBondContact O-CG1 3.2Å; A368-I372 PolarHBondContact O-N 3.36Å
369L78.8Confident71.6Confident19 Ų1975.8 Ų75.810%0.09946%0.459CS..Hα-helixtrans-62.1-43.7173.1-74.4159.4000111.8L343 M346 I348 I365 Q366 L371 I372 F373L343-L369 HydrophobicContact CD2-CD1 4.15Å; L343-L369 HydrophobicContact CD2-CD2 3.48Å; L343-L369 VanDerWaalsContact CD2-CD2 3.48Å; L343-L369 HydrophobicContact CD2-CG 3.56Å; M346-L369 HydrophobicContact CE-CD1 3.35Å; M346-L369 HydrophobicContact CE-CD2 3.86Å; M346-L369 HydrophobicContact CE-CG 4.17Å; I348-L369 HydrophobicContact CD1-CD2 3.47Å; I348-L369 VanDerWaalsContact CD1-CD2 3.47Å; I365-L369 HydrophobicContact CG2-CD1 3.97Å; I365-L369 WeakPolarHBondContact O-CD1 3.44Å; I365-L369 VanDerWaalsContact O-CG 3.22Å; I365-L369 WeakPolarHBondContact O-CG 3.25Å; I365-L369 PolarHBondContact O-N 3.03Å; Q366-L369 PolarHBondContact O-N 2.72Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 3.1Å; L369-I372 PolarHBondContact O-N 3.07Å; L369-F373 HydrophobicContact CB-CD2 4.36Å; L369-F373 HydrophobicContact CD2-CD2 4.1Å; L369-F373 HydrophobicContact CD2-CE2 3.66Å; L369-F373 WeakPolarHBondContact O-CB 3.04Å; L369-F373 VanDerWaalsContact O-CD2 3.29Å; L369-F373 WeakPolarHBondContact O-CD2 3.22Å; L369-F373 PolarHBondContact O-N 2.84Å
370E80.1Confident71.2Confident137 Ų13774.5 Ų74.564%0.6446%0.458SS*.Hα-helixtrans-61.3-42176.8-164.6176.1156.900110.9Q366 A367 I372 A374Q366-E370 PolarHBondContact O-N 2.92Å; A367-E370 PolarHBondContact O-N 3.46Å; E370-I372 PolarHBondContact O-N 2.79Å; E370-A374 HydrophobicContact CG-CB 4.46Å; E370-A374 WeakPolarHBondContact O-CA 3.36Å; E370-A374 WeakPolarHBondContact O-CB 3.01Å; E370-A374 PolarHBondContact O-N 2.84Å
371L76.6Confident70.7Confident79 Ų7974.4 Ų74.441%0.41445%0.449SS..Hα-helixtrans-64.2-40.4174.1-77.6170000113.4A360 T361 A367 A368 L369A360-L371 HydrophobicContact CB-CD1 4.06Å; T361-L371 HydrophobicContact CG2-CD1 3.52Å; A367-L371 PolarHBondContact O-N 2.9Å; A368-L371 PolarHBondContact O-N 2.89Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 3.1Å
372I78.8Confident70.2Confident38 Ų3877 Ų7720%0.19547%0.465CS..Hα-helixtrans-70.2-40.9-179.6-66.1161.9000111.1I348 M354 A357 A368 L369 E370I348-I372 HydrophobicContact CD1-CD1 4.08Å; I348-I372 HydrophobicContact CD1-CG2 4.07Å; I348-I372 HydrophobicContact CG2-CG2 4.4Å; M354-I372 HydrophobicContact CG-CD1 4.21Å; A357-I372 HydrophobicContact CB-CD1 3.84Å; A357-I372 HydrophobicContact CB-CG1 3.75Å; A368-I372 WeakPolarHBondContact O-CB 3.48Å; A368-I372 WeakPolarHBondContact O-CD1 3.37Å; A368-I372 WeakPolarHBondContact O-CG1 3.2Å; A368-I372 PolarHBondContact O-N 3.36Å; L369-I372 PolarHBondContact O-N 3.07Å; E370-I372 PolarHBondContact O-N 2.79Å
373F74.2Confident69.7Low151 Ų15174.5 Ų74.566%0.66246%0.455SS*.Hα-helixtrans-90.2-30.1-176.7-76.6-69.7000114.3I348 L369 G375I348-F373 HydrophobicContact CD1-CE2 3.92Å; I348-F373 HydrophobicContact CD1-CZ 4.28Å; I348-F373 HydrophobicContact CG1-CE2 4.45Å; I348-F373 HydrophobicContact CG1-CZ 4.31Å; L369-F373 HydrophobicContact CB-CD2 4.36Å; L369-F373 HydrophobicContact CD2-CD2 4.1Å; L369-F373 HydrophobicContact CD2-CE2 3.66Å; L369-F373 WeakPolarHBondContact O-CB 3.04Å; L369-F373 VanDerWaalsContact O-CD2 3.29Å; L369-F373 WeakPolarHBondContact O-CD2 3.22Å; L369-F373 PolarHBondContact O-N 2.84Å; F373-G375 PolarHBondContact O-N 3.26Å
374A69.7Low69.5Low71 Ų7178.1 Ų78.159%0.58747%0.472SS*.THydrogen-bonded Turntrans-75.7-6.9-179.300000113.1E370 G376E370-A374 HydrophobicContact CG-CB 4.46Å; E370-A374 WeakPolarHBondContact O-CA 3.36Å; E370-A374 WeakPolarHBondContact O-CB 3.01Å; E370-A374 PolarHBondContact O-N 2.84Å; A374-G376 PolarHBondContact O-N 3.37Å
375G62.2Low68.7Low65 Ų6577.5 Ų77.567%0.6747%0.473SS*.THydrogen-bonded Turntrans54.938.5-178.600000112.1F373F373-G375 PolarHBondContact O-N 3.26Å
376G45.8Very low67.8Low26 Ų2680.6 Ų80.627%0.26849%0.494SS..  trans-69.7149.3-17500000112.6A374 G378A374-G376 PolarHBondContact O-N 3.37Å; G376-G378 PolarHBondContact O-N 3.26Å
377P47.1Very low67.1Low146 Ų14676.2 Ų76.295%0.94848%0.483SS*.SBendtrans-70.298.8-163.231.1-34.1000110.6
378G56.2Low66.1Low66 Ų6679.8 Ų79.868%0.6850%0.5SS*.  trans16817.7179.500000115.6G376G376-G378 PolarHBondContact O-N 3.26Å
379L43.8Very low64.8Low160 Ų16087.1 Ų87.184%0.83855%0.546SS*.  trans-107.70164.2-68.2177000110L353L353-L379 HydrophobicContact CD1-CD1 4.47Å; L353-L379 HydrophobicContact CD2-CD1 3.4Å; L353-L379 VanDerWaalsContact CD2-CD1 3.4Å; L353-L379 HydrophobicContact CD2-CD2 3.18Å; L353-L379 HydrophobicContact CD2-CG 3.9Å

Retrieved 379 of 379 residues in 175.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).