A0A077Z6J3_TRITR Loading...

T-complex protein 1 subunit theta

Molecular chaperone; assists the folding of proteins upon ATP hydrolysis. Known to play a role, in vitro, in the folding of actin and tubulin. Required for correct subcellular localization of pgl-1.

AlphaFold DB , UniProt , Accession A0A077Z6J3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 515 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42Very low65.4Low240 Ų240115.1 Ų115.1100%1.18269%0.686SS**  0103.50-70.2-170.7-114.400107.4T3M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.08Å
2S46Very low66.2Low124 Ų124120.3 Ų120.387%0.86768%0.684SS**  trans-62.9112.7170.454.10000107.6G4S2-G4 PolarHBondContact O-N 2.84Å
3T61Low67.3Low133 Ų133122.1 Ų122.182%0.81669%0.689SS**PPolyproline II helixtrans-51.8122.7172.444.80000108.9M1 I5M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.08Å; T3-I5 PolarHBondContact O-N 3.12Å
4G68.8Low67.9Low68 Ų68116.8 Ų116.870%0.70166%0.658SS**PPolyproline II helixtrans-55.1137.1178.700000110.9S2 P6S2-G4 PolarHBondContact O-N 2.84Å; G4-P6 WeakPolarHBondContact O-CD 3.4Å; G4-P6 VanDerWaalsContact O-N 3.14Å
5I73.8Confident68.7Low163 Ų163120.3 Ų120.384%0.83666%0.664SS**PPolyproline II helixtrans-56.4119.3-179.8-58.7164.9000107.9T3 K7T3-I5 PolarHBondContact O-N 3.12Å; I5-K7 PolarHBondContact O-N 3.5Å
6P70.2Confident68.7Low85 Ų85124.2 Ų124.255%0.55268%0.675SS**PPolyproline II helixtrans-61.6131.5178.324.6-32.4000108.7G4 V8G4-P6 WeakPolarHBondContact O-CD 3.4Å; G4-P6 VanDerWaalsContact O-N 3.14Å; P6-V8 HydrophobicContact CG-CG2 4.49Å; P6-V8 WeakPolarHBondContact O-CG2 3.39Å; P6-V8 PolarHBondContact O-N 3.31Å; P6-V8 VanDerWaalsContact O-N 3.12Å
7K65.4Low68.9Low129 Ų129118.9 Ų118.956%0.56166%0.656SS**PPolyproline II helixtrans-61.6117.3169-65.8179.6-177.5173.80107.3I5 R12I5-K7 PolarHBondContact O-N 3.5Å; K7-R12 HydrophobicContact CB-CG 4.3Å; K7-R12 WeakPolarHBondContact O-CG 3.19Å; K7-R12 PolarHBondContact O-NE 2.88Å; K7-R12 PolarHBondContact O-NH2 3.49Å
8V71.9Confident69.2Low116 Ų116113.7 Ų113.770%0.70363%0.631SS**  trans-108.5142.2176.3-172.40000108.9P6P6-V8 HydrophobicContact CG-CG2 4.49Å; P6-V8 WeakPolarHBondContact O-CG2 3.39Å; P6-V8 PolarHBondContact O-N 3.31Å; P6-V8 VanDerWaalsContact O-N 3.12Å
9G74.5Confident69.4Low48 Ų48115.6 Ų115.650%0.49563%0.628SS.*SBendtrans86.1-156173.200000115.5P11 R12G9-P11 VanDerWaalsContact C-N 3.27Å; G9-P11 WeakPolarHBondContact O-CD 3.3Å; G9-P11 VanDerWaalsContact O-N 3.11Å; G9-R12 WeakPolarHBondContact O-CB 2.98Å; G9-R12 PolarHBondContact O-N 3.3Å
10F73.6Confident69.6Low100 Ų100112.1 Ų112.144%0.43961%0.607SS.*G310 helixtrans-47.6-35.3-177-171.1-102.3000115.4R12 L13 L14 H20F10-R12 PolarHBondContact O-N 2.98Å; F10-L13 HydrophobicContact CD2-CD1 4.11Å; F10-L13 HydrophobicContact CE2-CD1 4.43Å; F10-L13 PolarHBondContact O-N 2.78Å; F10-L14 HydrophobicContact CD1-CD1 4.12Å; F10-L14 HydrophobicContact CD1-CG 4.39Å; F10-L14 HydrophobicContact CE1-CD1 3.95Å; F10-L14 HydrophobicContact CE1-CD2 3.92Å; F10-L14 HydrophobicContact CE1-CG 4.12Å; F10-L14 HydrophobicContact CZ-CD2 4.23Å; F10-H20 HydrophobicContact CD1-CB 4.38Å; F10-H20 AromaticContact CD1-CD2 3.49Å; F10-H20 VanDerWaalsContact CD1-CD2 3.49Å; F10-H20 WeakPolarHBondContact CD1-CD2 3.42Å; F10-H20 AromaticContact CD1-CG 3.79Å; F10-H20 AromaticContact CD1-NE2 3.7Å; F10-H20 AromaticContact CE1-CD2 3.95Å; F10-H20 AromaticContact CE1-CE1 3.85Å; F10-H20 AromaticContact CE1-CG 3.89Å; F10-H20 AromaticContact CE1-ND1 3.84Å; F10-H20 AromaticContact CE1-NE2 3.91Å
11P72.1Confident69.8Low60 Ų60109.3 Ų109.339%0.3959%0.589SS.*G310 helixtrans-58-15.9176-26.836.1000115.9G9G9-P11 VanDerWaalsContact C-N 3.27Å; G9-P11 WeakPolarHBondContact O-CD 3.3Å; G9-P11 VanDerWaalsContact O-N 3.11Å
12R75.7Confident71.3Confident177 Ų177106.4 Ų106.467%0.66857%0.565SS**G310 helixtrans-74.5-24.3173.1-75.3-170.5171.2-172.8-1.2114.1K7 G9 F10 L14K7-R12 HydrophobicContact CB-CG 4.3Å; K7-R12 WeakPolarHBondContact O-CG 3.19Å; K7-R12 PolarHBondContact O-NE 2.88Å; K7-R12 PolarHBondContact O-NH2 3.49Å; G9-R12 WeakPolarHBondContact O-CB 2.98Å; G9-R12 PolarHBondContact O-N 3.3Å; F10-R12 PolarHBondContact O-N 2.98Å; R12-L14 VanDerWaalsContact C-N 3.31Å
13L79.9Confident72.4Confident144 Ų144102 Ų10275%0.75454%0.539SS*.THydrogen-bonded Turntrans-82.7-15.4-179.4-62.8174.7000112.3F10F10-L13 HydrophobicContact CD2-CD1 4.11Å; F10-L13 HydrophobicContact CE2-CD1 4.43Å; F10-L13 PolarHBondContact O-N 2.78Å
14L76.4Confident72.9Confident48 Ų4898.9 Ų98.925%0.25152%0.517SS..SBendtrans-89.8150.4-177.4-56.2175.2000110.6F10 R12 A18 H20F10-L14 HydrophobicContact CD1-CD1 4.12Å; F10-L14 HydrophobicContact CD1-CG 4.39Å; F10-L14 HydrophobicContact CE1-CD1 3.95Å; F10-L14 HydrophobicContact CE1-CD2 3.92Å; F10-L14 HydrophobicContact CE1-CG 4.12Å; F10-L14 HydrophobicContact CZ-CD2 4.23Å; R12-L14 VanDerWaalsContact C-N 3.31Å; L14-A18 HydrophobicContact CB-CB 3.67Å; L14-A18 HydrophobicContact CD1-CB 4.16Å; L14-A18 HydrophobicContact CG-CB 4.46Å; L14-H20 HydrophobicContact CD1-CB 3.76Å
15K78.7Confident73Confident170 Ų170101.2 Ų101.274%0.73951%0.51SS*.PPolyproline II helixtrans-57.1150172.1-69.9-173.5177.8-177.30110.7G17 A18K15-G17 PolarHBondContact O-N 3.35Å; K15-A18 VanDerWaalsContact O-CB 3.25Å; K15-A18 WeakPolarHBondContact O-CB 3.33Å; K15-A18 PolarHBondContact O-N 3.01Å
16E69.7Low73.2Confident182 Ų18298.7 Ų98.785%0.8549%0.494SS*.THydrogen-bonded Turntrans-53.4133.2174.9-63.2-170.2158.400110.8
17G72.1Confident73.7Confident34 Ų3494.8 Ų94.835%0.35147%0.469SS..THydrogen-bonded Turntrans88.6-10-175.900000115.5K15 N487K15-G17 PolarHBondContact O-N 3.35Å; G17-N487 VanDerWaalsContact O-CG 3.29Å; G17-N487 PolarHBondContact O-ND2 3.43Å
18A73.4Confident74.5Confident25 Ų2588.9 Ų88.921%0.20744%0.444CS..  trans-70.5132.7173.200000111.4L14 K15 R485L14-A18 HydrophobicContact CB-CB 3.67Å; L14-A18 HydrophobicContact CD1-CB 4.16Å; L14-A18 HydrophobicContact CG-CB 4.46Å; K15-A18 VanDerWaalsContact O-CB 3.25Å; K15-A18 WeakPolarHBondContact O-CB 3.33Å; K15-A18 PolarHBondContact O-N 3.01Å; A18-R485 CarbonylContact C-O 3.53Å; A18-R485 VanDerWaalsContact CA-O 3.25Å; A18-R485 WeakPolarHBondContact CA-O 3.46Å
19R72.8Confident75.2Confident151 Ų15186 Ų8657%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-107133172.4-64.4-175.8-179.9-179.70.2108.9F21 R485R19-F21 HydrophobicContact CB-CE2 4.2Å; R19-F21 HydrophobicContact CB-CZ 4.05Å; R19-R485 PolarHBondContact N-O 3.21Å; R19-R485 PolarHBondContact O-N 3.34Å
20H74Confident75.8Confident45 Ų4589.1 Ų89.121%0.20842%0.419CS..EExtended strand (participates in β ladder)trans-119.8121.9177179.262.5000108.7F10 L14 Q482F10-H20 HydrophobicContact CD1-CB 4.38Å; F10-H20 AromaticContact CD1-CD2 3.49Å; F10-H20 VanDerWaalsContact CD1-CD2 3.49Å; F10-H20 WeakPolarHBondContact CD1-CD2 3.42Å; F10-H20 AromaticContact CD1-CG 3.79Å; F10-H20 AromaticContact CD1-NE2 3.7Å; F10-H20 AromaticContact CE1-CD2 3.95Å; F10-H20 AromaticContact CE1-CE1 3.85Å; F10-H20 AromaticContact CE1-CG 3.89Å; F10-H20 AromaticContact CE1-ND1 3.84Å; F10-H20 AromaticContact CE1-NE2 3.91Å; L14-H20 HydrophobicContact CD1-CB 3.76Å; H20-Q482 PolarHBondContact CE1-OE1 3.33Å
21F74.2Confident76.5Confident53 Ų5385 Ų8523%0.23240%0.403CS..EExtended strand (participates in β ladder)trans-105.5129.2172-53.5-67.5000107.6R19 V483R19-F21 HydrophobicContact CB-CE2 4.2Å; R19-F21 HydrophobicContact CB-CZ 4.05Å; F21-V483 HydrophobicContact CD2-CB 4.4Å; F21-V483 HydrophobicContact CD2-CG1 4.48Å; F21-V483 PolarHBondContact N-O 3.47Å; F21-V483 PolarHBondContact O-N 2.99Å
22R73.1Confident77.4Confident179 Ų17982.3 Ų82.368%0.67539%0.385SS*.EExtended strand (participates in β ladder)trans-133.1137.2-178.9-177.7177.3178.6-173.91.1109Q482R22-Q482 HydrophobicContact CG-CG 4.31Å
23G69.8Low78.2Confident32 Ų3280.2 Ų80.233%0.3338%0.383SS..SBendtrans118.9133.3178.200000109.5E25 T27G23-E25 VanDerWaalsContact C-N 3.3Å; G23-E25 PolarHBondContact O-N 3.3Å; G23-T27 WeakPolarHBondContact O-CB 3.33Å; G23-T27 PolarHBondContact O-N 3.29Å; G23-T27 PolarHBondContact O-OG1 2.9Å
24I71.1Confident78.7Confident67 Ų6774.8 Ų74.834%0.34436%0.359SS..Hα-helixtrans-59.2-47.5-179.1-62167.5000108.7V28 I118 A124I24-V28 HydrophobicContact CG2-CG2 4.05Å; I24-V28 WeakPolarHBondContact O-CB 3.37Å; I24-V28 WeakPolarHBondContact O-CG2 3.3Å; I24-V28 PolarHBondContact O-N 3.31Å; I24-I118 HydrophobicContact CG2-CG2 4.26Å; I24-A124 HydrophobicContact CG2-CB 4.4Å
25E71.1Confident79.5Confident118 Ų11872.5 Ų72.555%0.55135%0.347SS*.Hα-helixtrans-60-61178.6-65.4-177.5175.400111.5G23 T27 H29G23-E25 VanDerWaalsContact C-N 3.3Å; G23-E25 PolarHBondContact O-N 3.3Å; E25-T27 VanDerWaalsContact C-N 3.33Å; E25-T27 PolarHBondContact O-N 2.79Å; E25-H29 WeakPolarHBondContact O-CB 3.37Å; E25-H29 PolarHBondContact O-CD2 3.33Å; E25-H29 PolarHBondContact O-N 3.45Å
26E76.9Confident80.2Confident109 Ų10965.3 Ų65.351%0.50932%0.316SS..Hα-helixtrans-61.5-39.8-176.2-67.6-166.717500113.5R30E26-R30 WeakPolarHBondContact O-CB 3.17Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.15Å
27T80.6Confident81.2Confident3 Ų358.3 Ų58.32%0.01829%0.293CS..Hα-helixtrans-74.5-45.8-175.8-53.10000111.2G23 E25 S31 D481 V483G23-T27 WeakPolarHBondContact O-CB 3.33Å; G23-T27 PolarHBondContact O-N 3.29Å; G23-T27 PolarHBondContact O-OG1 2.9Å; E25-T27 VanDerWaalsContact C-N 3.33Å; E25-T27 PolarHBondContact O-N 2.79Å; T27-S31 VanDerWaalsContact O-CB 3.28Å; T27-S31 WeakPolarHBondContact O-CB 3.4Å; T27-S31 PolarHBondContact O-N 3.4Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.3Å; T27-D481 PolarHBondContact OG1-O 3.14Å; T27-V483 HydrophobicContact CG2-CB 4.27Å; T27-V483 HydrophobicContact CG2-CG2 3.57Å
28V83.4Confident82.1Confident6 Ų657.9 Ų57.94%0.03628%0.283CS..Hα-helixtrans-69.8-45.4178.5177.90000109.9I24 R30 S31 V32 I118 L478I24-V28 HydrophobicContact CG2-CG2 4.05Å; I24-V28 WeakPolarHBondContact O-CB 3.37Å; I24-V28 WeakPolarHBondContact O-CG2 3.3Å; I24-V28 PolarHBondContact O-N 3.31Å; V28-R30 PolarHBondContact O-N 3.38Å; V28-S31 PolarHBondContact O-N 3.04Å; V28-V32 HydrophobicContact CG1-CG2 3.82Å; V28-V32 WeakPolarHBondContact O-CB 3.29Å; V28-V32 WeakPolarHBondContact O-CG2 3.36Å; V28-V32 PolarHBondContact O-N 3.43Å; V28-I118 HydrophobicContact CG1-CD1 3.9Å; V28-L478 HydrophobicContact CG1-CD2 4.08Å
29H86.3Confident83Confident55 Ų5556.7 Ų56.726%0.25527%0.273SS..Hα-helixtrans-57.7-48.2179.6-73.4-54.7000112.4E25 S31 V32 E33 R115E25-H29 WeakPolarHBondContact O-CB 3.37Å; E25-H29 PolarHBondContact O-CD2 3.33Å; E25-H29 PolarHBondContact O-N 3.45Å; H29-S31 VanDerWaalsContact C-N 3.34Å; H29-S31 PolarHBondContact O-N 3.47Å; H29-V32 PolarHBondContact O-N 3.24Å; H29-E33 WeakPolarHBondContact O-CB 3.1Å; H29-E33 PolarHBondContact O-N 2.75Å; H29-R115 VanDerWaalsContact CE1-CG 3.48Å; H29-R115 WeakPolarHBondContact CE1-CG 3.42Å; H29-R115 WeakPolarHBondContact ND1-CD 3.49Å; H29-R115 VanDerWaalsContact ND1-CG 3.27Å; H29-R115 WeakPolarHBondContact ND1-CG 3.45Å
30R86.6Confident83.9Confident114 Ų11455.6 Ų55.643%0.4327%0.274SS..Hα-helixtrans-66.2-36.8178.3-71.7-179.3-177.6175.18.3112.7E26 V28 E33 A34E26-R30 WeakPolarHBondContact O-CB 3.17Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.15Å; V28-R30 PolarHBondContact O-N 3.38Å; R30-E33 PolarHBondContact O-N 2.9Å; R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.35Å
31S89.1Confident84.7Confident14 Ų1456.1 Ų56.110%0.09828%0.28CS..Hα-helixtrans-65.9-45.1176.8-62.10000111.4T27 V28 H29 A34 C35T27-S31 VanDerWaalsContact O-CB 3.28Å; T27-S31 WeakPolarHBondContact O-CB 3.4Å; T27-S31 PolarHBondContact O-N 3.4Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.3Å; V28-S31 PolarHBondContact O-N 3.04Å; H29-S31 VanDerWaalsContact C-N 3.34Å; H29-S31 PolarHBondContact O-N 3.47Å; S31-A34 PolarHBondContact O-N 2.8Å; S31-C35 WeakPolarHBondContact O-CB 3.32Å; S31-C35 PolarHBondContact O-N 3.02Å; S31-C35 PolarHBondContact O-SG 3.41Å
32V91Very high85.5Confident2 Ų253.7 Ų53.71%0.01227%0.27CS..Hα-helixtrans-63.2-43.6176.4177.10000110.3V28 H29 A34 C35 L36 L111 R115V28-V32 HydrophobicContact CG1-CG2 3.82Å; V28-V32 WeakPolarHBondContact O-CB 3.29Å; V28-V32 WeakPolarHBondContact O-CG2 3.36Å; V28-V32 PolarHBondContact O-N 3.43Å; H29-V32 PolarHBondContact O-N 3.24Å; V32-A34 PolarHBondContact O-N 3.28Å; V32-C35 WeakPolarHBondContact O-CB 3.49Å; V32-C35 PolarHBondContact O-N 3.43Å; V32-L36 HydrophobicContact CG1-CD1 3.84Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.05Å; V32-L36 PolarHBondContact O-N 3.11Å; V32-L111 HydrophobicContact CG1-CB 4.39Å; V32-L111 HydrophobicContact CG2-CB 4.17Å; V32-R115 HydrophobicContact CG1-CB 4.39Å; V32-R115 HydrophobicContact CG2-CB 4.44Å
33E92.1Very high86.4Confident134 Ų13447.4 Ų47.463%0.62625%0.246SC*.Hα-helixtrans-60.9-44.1177.6-172.8178-168.800112.3H29 R30 C35 L36 G37H29-E33 WeakPolarHBondContact O-CB 3.1Å; H29-E33 PolarHBondContact O-N 2.75Å; R30-E33 PolarHBondContact O-N 2.9Å; E33-C35 VanDerWaalsContact C-N 3.34Å; E33-C35 PolarHBondContact O-N 3.33Å; E33-L36 PolarHBondContact O-N 3.32Å; E33-G37 PolarHBondContact O-N 3.43Å
34A90.9Very high87.4Confident29 Ų2947.4 Ų47.424%0.2424%0.241CC..Hα-helixtrans-62.3-41.5174.900000112.2R30 S31 V32 L38 H79R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.35Å; S31-A34 PolarHBondContact O-N 2.8Å; V32-A34 PolarHBondContact O-N 3.28Å; A34-L38 PolarHBondContact O-N 2.88Å; A34-H79 HydrophobicContact CB-CB 4.04Å
35C93Very high88.4Confident0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-66.1-38.9175.8-700000112.3S31 V32 E33 L38 A39 L85 V108 L111S31-C35 WeakPolarHBondContact O-CB 3.32Å; S31-C35 PolarHBondContact O-N 3.02Å; S31-C35 PolarHBondContact O-SG 3.41Å; V32-C35 WeakPolarHBondContact O-CB 3.49Å; V32-C35 PolarHBondContact O-N 3.43Å; E33-C35 VanDerWaalsContact C-N 3.34Å; E33-C35 PolarHBondContact O-N 3.33Å; C35-L38 PolarHBondContact O-N 2.68Å; C35-A39 PolarHBondContact O-N 3.45Å; C35-L85 HydrophobicContact CB-CD1 3.59Å; C35-L85 WeakPolarHBondContact SG-CD1 3.34Å; C35-V108 HydrophobicContact CB-CG2 3.96Å; C35-L111 HydrophobicContact CB-CD1 4.18Å
36L93.2Very high89.4Confident19 Ų1940.1 Ų40.110%0.09921%0.205CC..Hα-helixtrans-62.4-44.1176.1-78.3167.6000111.9V32 E33 L38 A39 Q40 V108 E112V32-L36 HydrophobicContact CG1-CD1 3.84Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 VanDerWaalsContact O-CG 3.28Å; V32-L36 WeakPolarHBondContact O-CG 3.05Å; V32-L36 PolarHBondContact O-N 3.11Å; E33-L36 PolarHBondContact O-N 3.32Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.28Å; L36-A39 PolarHBondContact O-N 3.27Å; L36-Q40 WeakPolarHBondContact O-CG 3.25Å; L36-Q40 PolarHBondContact O-N 3.38Å; L36-V108 HydrophobicContact CD2-CG1 3.54Å; L36-V108 HydrophobicContact CG-CG1 3.98Å; L36-E112 HydrophobicContact CD2-CB 4.36Å; L36-E112 HydrophobicContact CD2-CG 4.44Å
37G90.6Very high89.9Confident35 Ų3535.2 Ų35.236%0.36118%0.183SC..Hα-helixtrans-57.3-43175.400000112.4E33E33-G37 PolarHBondContact O-N 3.43Å
38L91.3Very high90.2Very high25 Ų2537.3 Ų37.313%0.13120%0.197CC..Hα-helixtrans-67.3-44.6174.5-77.4-171.4000112.6A34 C35 L36 Q40 T41 V42 L72 I77 A82A34-L38 PolarHBondContact O-N 2.88Å; C35-L38 PolarHBondContact O-N 2.68Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.28Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 PolarHBondContact O-N 2.99Å; L38-T41 PolarHBondContact O-N 3.43Å; L38-T41 VanDerWaalsContact O-N 3.12Å; L38-T41 PolarHBondContact O-OG1 3.18Å; L38-V42 PolarHBondContact O-N 2.91Å; L38-L72 HydrophobicContact CD1-CD2 4.18Å; L38-L72 HydrophobicContact CD2-CD2 4.06Å; L38-I77 HydrophobicContact CD1-CD1 3.89Å; L38-I77 HydrophobicContact CD1-CG1 4.35Å; L38-I77 HydrophobicContact CD2-CD1 4.39Å; L38-I77 HydrophobicContact CD2-CG1 4.45Å; L38-A82 HydrophobicContact CD1-CB 3.52Å; L38-A82 HydrophobicContact CG-CB 4.44Å
39A92Very high90.4Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-61.4-38179.200000112.3C35 L36 T41 V42 R43 V108C35-A39 PolarHBondContact O-N 3.45Å; L36-A39 PolarHBondContact O-N 3.27Å; A39-T41 PolarHBondContact O-N 3.33Å; A39-V42 PolarHBondContact O-N 3.08Å; A39-R43 WeakPolarHBondContact O-CB 3.46Å; A39-R43 VanDerWaalsContact O-CG 3.25Å; A39-R43 WeakPolarHBondContact O-CG 3.34Å; A39-R43 PolarHBondContact O-N 2.87Å; A39-V108 HydrophobicContact CB-CB 3.79Å; A39-V108 HydrophobicContact CB-CG1 3.67Å; A39-V108 HydrophobicContact CB-CG2 3.83Å
40Q91.3Very high90.5Very high129 Ų12938.2 Ų38.260%0.60321%0.209SC*.Hα-helixtrans-58.1-34.8176.4-75.1174.1-2.900112.5L36 L38L36-Q40 WeakPolarHBondContact O-CG 3.25Å; L36-Q40 PolarHBondContact O-N 3.38Å; L38-Q40 VanDerWaalsContact C-N 3.29Å; L38-Q40 PolarHBondContact O-N 2.99Å
41T90.2Very high90.7Very high55 Ų5539.1 Ų39.134%0.33722%0.22SC..Hα-helixtrans-66.9-39.9175.169.80000112L38 A39 S44 K53L38-T41 PolarHBondContact O-N 3.43Å; L38-T41 VanDerWaalsContact O-N 3.12Å; L38-T41 PolarHBondContact O-OG1 3.18Å; A39-T41 PolarHBondContact O-N 3.33Å; T41-S44 PolarHBondContact O-OG 2.91Å; T41-K53 WeakPolarHBondContact O-CE 3.49Å
42V91.7Very high90.8Very high2 Ų242 Ų421%0.01224%0.235CC..Hα-helixtrans-82.3-32.6-176.4171.80000112.4L38 A39 S44 S45 Y46 A68 N101 I104 I105L38-V42 PolarHBondContact O-N 2.91Å; A39-V42 PolarHBondContact O-N 3.08Å; V42-S44 VanDerWaalsContact C-N 3.3Å; V42-S44 PolarHBondContact O-N 3.46Å; V42-S45 WeakPolarHBondContact O-CA 3.15Å; V42-S45 WeakPolarHBondContact O-CB 3.14Å; V42-S45 PolarHBondContact O-N 3.28Å; V42-Y46 PolarHBondContact O-N 3.49Å; V42-A68 HydrophobicContact CB-CB 4.29Å; V42-A68 HydrophobicContact CG1-CB 3.57Å; V42-A68 HydrophobicContact CG2-CB 3.68Å; V42-N101 HydrophobicContact CG1-CB 4.27Å; V42-I104 HydrophobicContact CG1-CD1 4.47Å; V42-I104 HydrophobicContact CG2-CD1 4.45Å; V42-I105 HydrophobicContact CG1-CG1 4.49Å
43R92.1Very high90.8Very high48 Ų4844.7 Ų44.718%0.18125%0.246CC..Hα-helixtrans-51.9-46.5-176.4-88179.5-171.8179.72.7112.1A39 S45 Y46 I105 E112 Q436 N440A39-R43 WeakPolarHBondContact O-CB 3.46Å; A39-R43 VanDerWaalsContact O-CG 3.25Å; A39-R43 WeakPolarHBondContact O-CG 3.34Å; A39-R43 PolarHBondContact O-N 2.87Å; R43-S45 PolarHBondContact O-N 2.8Å; R43-Y46 WeakPolarHBondContact O-CB 3.31Å; R43-Y46 PolarHBondContact O-N 3.46Å; R43-I105 HydrophobicContact CG-CD1 4.44Å; R43-I105 HydrophobicContact CG-CG1 4.1Å; R43-E112 IonicContact NH2-OE2 2.68Å; R43-E112 PolarHBondContact NH2-OE2 3.46Å; R43-Q436 HydrophobicContact CB-CG 4.38Å; R43-Q436 HydrophobicContact CG-CG 4.46Å; R43-Q436 VanDerWaalsContact CG-OE1 3.25Å; R43-Q436 WeakPolarHBondContact O-CG 3.43Å; R43-Q436 PolarHBondContact O-NE2 3.37Å; R43-Q436 VanDerWaalsContact O-NE2 3.11Å; R43-N440 PolarHBondContact O-ND2 3.47Å
44S91.6Very high90.9Very high31 Ų3143 Ų4322%0.21725%0.245CC..THydrogen-bonded Turntrans-67-13.6177.9580000115.4T41 V42 G50 M51 K53T41-S44 PolarHBondContact O-OG 2.91Å; V42-S44 VanDerWaalsContact C-N 3.3Å; V42-S44 PolarHBondContact O-N 3.46Å; S44-G50 WeakPolarHBondContact O-CA 3.15Å; S44-M51 PolarHBondContact O-N 2.91Å; S44-K53 WeakPolarHBondContact OG-CE 3.49Å; S44-K53 PolarHBondContact OG-NZ 2.92Å
45S91.6Very high90.9Very high3 Ų342.4 Ų42.42%0.02124%0.238CC..THydrogen-bonded Turntrans-97-3.5179.1-59.60000112.6V42 R43 M51 K53V42-S45 WeakPolarHBondContact O-CA 3.15Å; V42-S45 WeakPolarHBondContact O-CB 3.14Å; V42-S45 PolarHBondContact O-N 3.28Å; R43-S45 PolarHBondContact O-N 2.8Å; S45-M51 WeakPolarHBondContact CB-O 3.45Å; S45-M51 PolarHBondContact OG-O 2.84Å; S45-K53 WeakPolarHBondContact OG-CE 3.45Å
46Y91.3Very high90.8Very high30 Ų3046.8 Ų46.812%0.11826%0.264CS..  trans-81.3130.3-177.8-174.8-115.8000112.7V42 R43 N101 I105 L433 Q436 L437 N440V42-Y46 PolarHBondContact O-N 3.49Å; R43-Y46 WeakPolarHBondContact O-CB 3.31Å; R43-Y46 PolarHBondContact O-N 3.46Å; Y46-N101 HydrophobicContact CD2-CB 3.68Å; Y46-N101 HydrophobicContact CE2-CB 4.36Å; Y46-I105 HydrophobicContact CD1-CD1 4.1Å; Y46-I105 HydrophobicContact CD2-CD1 3.94Å; Y46-I105 HydrophobicContact CG-CD1 3.6Å; Y46-L433 HydrophobicContact CE1-CB 4.23Å; Y46-L433 HydrophobicContact CE1-CD2 3.97Å; Y46-L433 HydrophobicContact CE2-CD2 4.41Å; Y46-Q436 HydrophobicContact CD1-CB 4.01Å; Y46-Q436 HydrophobicContact CD1-CG 3.89Å; Y46-Q436 HydrophobicContact CG-CG 4.45Å; Y46-L437 HydrophobicContact CD1-CD2 3.81Å; Y46-L437 HydrophobicContact CD1-CG 4.02Å; Y46-L437 HydrophobicContact CE1-CD1 4.21Å; Y46-L437 HydrophobicContact CE1-CD2 3.71Å; Y46-L437 HydrophobicContact CE1-CG 3.63Å; Y46-N440 PolarHBondContact O-ND2 3.43Å
47G87.7Confident90.6Very high5 Ų548 Ų485%0.05227%0.271CS..SBendtrans93.8174.7177.100000114.3T49 G50 L437G47-T49 VanDerWaalsContact C-N 3.29Å; G47-T49 PolarHBondContact O-N 2.97Å; G47-G50 PolarHBondContact O-N 3.27Å; G47-L437 VanDerWaalsContact CA-CD2 3.46Å
48P87Confident90.6Very high47 Ų4755.1 Ų55.131%0.30529%0.287SS..THydrogen-bonded Turntrans-65.9-28.8-174.326.5-34.9000113.9G50 L162 Y166P48-G50 VanDerWaalsContact C-N 3.29Å; P48-L162 HydrophobicContact CB-CD2 4.48Å; P48-L162 HydrophobicContact CB-CG 4.17Å; P48-Y166 HydrophobicContact CB-CD2 3.77Å; P48-Y166 HydrophobicContact CB-CE2 4.18Å
49T88Confident90.6Very high65 Ų6561.1 Ų61.140%0.39932%0.318SS..THydrogen-bonded Turntrans-919174.254.40000112.5G47 N440G47-T49 VanDerWaalsContact C-N 3.29Å; G47-T49 PolarHBondContact O-N 2.97Å; T49-N440 PolarHBondContact OG1-O 2.98Å
50G87.5Confident90.5Very high15 Ų1569.2 Ų69.216%0.15536%0.356CS..PPolyproline II helixtrans-62.2138.7-18000000112.2S44 G47 P48S44-G50 WeakPolarHBondContact O-CA 3.15Å; G47-G50 PolarHBondContact O-N 3.27Å; P48-G50 VanDerWaalsContact C-N 3.29Å
51M90.6Very high90.4Very high133 Ų13368.4 Ų68.466%0.65535%0.35SS*.PPolyproline II helixtrans-85.2139.4179.6-60.2-175.2-166.500111.6S44 S45S44-M51 PolarHBondContact O-N 2.91Å; S45-M51 WeakPolarHBondContact CB-O 3.45Å; S45-M51 PolarHBondContact OG-O 2.84Å
52N91.5Very high90.4Very high76 Ų7669.1 Ų69.141%0.40635%0.352SS..PPolyproline II helixtrans-67.6147.2172-73.2-30.5000111.8V64 N66N52-V64 HydrophobicContact CB-CG1 3.91Å; N52-N66 VanDerWaalsContact OD1-CB 3.3Å; N52-N66 WeakPolarHBondContact OD1-CB 3.35Å; N52-N66 PolarHBondContact OD1-N 3.32Å
53K92Very high90.4Very high57 Ų5770 Ų7025%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-104.2136.4171.9-58-51.8-175.3-173.30110T41 S44 S45 V64 T65 V71T41-K53 WeakPolarHBondContact O-CE 3.49Å; S44-K53 WeakPolarHBondContact OG-CE 3.49Å; S44-K53 PolarHBondContact OG-NZ 2.92Å; S45-K53 WeakPolarHBondContact OG-CE 3.45Å; K53-V64 WeakPolarHBondContact O-CA 3.26Å; K53-T65 PolarHBondContact N-O 2.89Å; K53-T65 PolarHBondContact O-N 3.44Å; K53-V71 HydrophobicContact CB-CG2 4.16Å; K53-V71 HydrophobicContact CG-CG2 4.39Å
54V92.8Very high90.3Very high100 Ų10069.5 Ų69.561%0.60636%0.358SS*.EExtended strand (participates in β ladder)trans-99.4118.4173.8-176.80000107.8L62 F63 V64V54-L62 HydrophobicContact CG1-CD1 3.32Å; V54-L62 HydrophobicContact CG1-CG 4.32Å; V54-F63 CarbonylContact C-O 3.53Å; V54-F63 WeakPolarHBondContact CA-O 3.31Å; V54-V64 HydrophobicContact CG2-CG2 4.22Å
55I91.8Very high90.3Very high16 Ų1668 Ų688%0.08235%0.347CS..EExtended strand (participates in β ladder)trans-122131.2-178.5-56.3170.8000108.4F63 V71 E74I55-F63 PolarHBondContact N-O 3Å; I55-F63 PolarHBondContact O-N 3.33Å; I55-V71 VanDerWaalsContact CD1-CA 3.43Å; I55-V71 HydrophobicContact CD1-CB 3.77Å; I55-V71 HydrophobicContact CD1-CG1 3.69Å; I55-V71 HydrophobicContact CD1-CG2 3.82Å; I55-E74 HydrophobicContact CG2-CB 3.94Å
56V91.7Very high90.2Very high92 Ų9268.1 Ų68.156%0.55835%0.348SS*.EExtended strand (participates in β ladder)trans-110.3115.5172.3-176.70000107.1L62V56-L62 HydrophobicContact CG2-CD1 3.84Å
57N88.9Confident90.1Very high44 Ų4466.8 Ų66.824%0.23534%0.343CS..  trans-78.2173.5177.5-162.4-6.9000110.6L59 E60 K61 F63 E74N57-L59 PolarHBondContact O-N 3.44Å; N57-E60 PolarHBondContact O-N 3.06Å; N57-K61 PolarHBondContact N-O 3.33Å; N57-K61 VanDerWaalsContact N-O 3.13Å; N57-F63 HydrophobicContact CB-CE2 4.47Å; N57-E74 PolarHBondContact ND2-OE2 3.2Å
58R89.3Confident90.3Very high185 Ų18566.6 Ų66.670%0.69834%0.34SS*.THydrogen-bonded Turntrans-55-24.3176.7-61.5-173.51741632.5114E60 Q76R58-E60 VanDerWaalsContact C-N 3.28Å; R58-Q76 VanDerWaalsContact CZ-CD 3.42Å
59L91.7Very high90.4Very high150 Ų15064.8 Ų64.879%0.78533%0.329SS*.THydrogen-bonded Turntrans-90.712.9178.4-57.8178.6000112.6N57 K61N57-L59 PolarHBondContact O-N 3.44Å; L59-K61 PolarHBondContact O-N 3.24Å
60E89.7Confident90.4Very high171 Ų17162.8 Ų62.880%0.79932%0.317SS*.  trans59.712.9-176.8-57.8-178.9168.400114.4N57 R58 L62N57-E60 PolarHBondContact O-N 3.06Å; R58-E60 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.06Å
61K89.4Confident90.6Very high111 Ų11162.4 Ų62.448%0.48331%0.311SS..  trans-72.1125172.8-173.9171.9175.9-178.40109.8N57 L59 F63N57-K61 PolarHBondContact N-O 3.33Å; N57-K61 VanDerWaalsContact N-O 3.13Å; L59-K61 PolarHBondContact O-N 3.24Å; K61-F63 HydrophobicContact CB-CE2 4.14Å; K61-F63 HydrophobicContact CD-CE1 4.14Å; K61-F63 HydrophobicContact CD-CE2 3.84Å; K61-F63 HydrophobicContact CD-CZ 3.5Å; K61-F63 VanDerWaalsContact CE-CZ 3.49Å; K61-F63 HydrophobicContact CG-CD2 4.35Å; K61-F63 HydrophobicContact CG-CE2 3.81Å; K61-F63 HydrophobicContact CG-CZ 3.97Å
62L91.5Very high90.6Very high71 Ų7156.1 Ų56.137%0.37228%0.281SS..EExtended strand (participates in β ladder)trans-82.7130.9175.8-169.770.7000110.3V54 V56 E60 V64V54-L62 HydrophobicContact CG1-CD1 3.32Å; V54-L62 HydrophobicContact CG1-CG 4.32Å; V56-L62 HydrophobicContact CG2-CD1 3.84Å; E60-L62 PolarHBondContact O-N 3.06Å; L62-V64 HydrophobicContact CD2-CG2 4.44Å; L62-V64 HydrophobicContact CG-CG2 4.36Å
63F90Very high90.5Very high20 Ų2059.1 Ų59.19%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-123.6132.3168.9-66.6-83.1000109.1V54 I55 N57 K61 E74V54-F63 CarbonylContact C-O 3.53Å; V54-F63 WeakPolarHBondContact CA-O 3.31Å; I55-F63 PolarHBondContact N-O 3Å; I55-F63 PolarHBondContact O-N 3.33Å; N57-F63 HydrophobicContact CB-CE2 4.47Å; K61-F63 HydrophobicContact CB-CE2 4.14Å; K61-F63 HydrophobicContact CD-CE1 4.14Å; K61-F63 HydrophobicContact CD-CE2 3.84Å; K61-F63 HydrophobicContact CD-CZ 3.5Å; K61-F63 VanDerWaalsContact CE-CZ 3.49Å; K61-F63 HydrophobicContact CG-CD2 4.35Å; K61-F63 HydrophobicContact CG-CE2 3.81Å; K61-F63 HydrophobicContact CG-CZ 3.97Å; F63-E74 HydrophobicContact CD2-CG 3.97Å; F63-E74 HydrophobicContact CE2-CG 4.02Å; F63-E74 VanDerWaalsContact CE2-OE2 3.27Å; F63-E74 WeakPolarHBondContact CE2-OE2 3.37Å; F63-E74 HydrophobicContact CG-CG 4.42Å
64V91.8Very high90.4Very high38 Ų3858.2 Ų58.223%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-121.4114.9174.7-175.80000107.4N52 K53 V54 L62 N371N52-V64 HydrophobicContact CB-CG1 3.91Å; K53-V64 WeakPolarHBondContact O-CA 3.26Å; V54-V64 HydrophobicContact CG2-CG2 4.22Å; L62-V64 HydrophobicContact CD2-CG2 4.44Å; L62-V64 HydrophobicContact CG-CG2 4.36Å; V64-N371 HydrophobicContact CB-CB 4.3Å; V64-N371 HydrophobicContact CG2-CB 4.17Å
65T90.2Very high90.3Very high0 Ų056.7 Ų56.70%028%0.275CS..EExtended strand (participates in β ladder)trans-163.3158.9-177.7-160.40000112.8K53 T70 V71 D375 R378K53-T65 PolarHBondContact N-O 2.89Å; K53-T65 PolarHBondContact O-N 3.44Å; T65-T70 HydrophobicContact CG2-CG2 4.21Å; T65-V71 HydrophobicContact CG2-CG2 3.82Å; T65-D375 WeakPolarHBondContact CA-OD1 3.48Å; T65-D375 PolarHBondContact OG1-OD1 3.32Å; T65-R378 PolarHBondContact OG1-NH1 2.57Å
66N90.4Very high90Very high5 Ų561.4 Ų61.43%0.02730%0.297CS..  trans-105.4-4.7172.466.9-17000114N52 A68 N101 T163 K164N52-N66 VanDerWaalsContact OD1-CB 3.3Å; N52-N66 WeakPolarHBondContact OD1-CB 3.35Å; N52-N66 PolarHBondContact OD1-N 3.32Å; N66-A68 PolarHBondContact O-N 3.41Å; N66-N101 PolarHBondContact O-ND2 3.09Å; N66-N101 VanDerWaalsContact O-ND2 3.13Å; N66-T163 PolarHBondContact ND2-O 2.88Å; N66-K164 WeakPolarHBondContact ND2-CA 3.25Å
67D89.6Confident89.8Confident2 Ų259.2 Ų59.21%0.01128%0.281CS..  trans-76.9120.3177.3167.845000111.4A69 T70 V71 T100D67-A69 VanDerWaalsContact C-N 3.34Å; D67-A69 PolarHBondContact O-N 3.38Å; D67-A69 PolarHBondContact OD1-N 2.87Å; D67-T70 PolarHBondContact O-N 3.23Å; D67-T70 WeakPolarHBondContact OD2-CB 3.41Å; D67-T70 PolarHBondContact OD2-N 3.17Å; D67-T70 PolarHBondContact OD2-OG1 3.47Å; D67-V71 VanDerWaalsContact O-CG2 3.23Å; D67-V71 WeakPolarHBondContact O-CG2 3.32Å; D67-V71 PolarHBondContact O-N 3.15Å; D67-T100 PolarHBondContact OD1-OG1 2.74Å
68A90.7Very high89.7Confident1 Ų163.9 Ų63.91%0.00830%0.301CS..Hα-helixtrans-67.1-31.7-177.800000113.8V42 N66 T70 V71 L72 N101 I104V42-A68 HydrophobicContact CB-CB 4.29Å; V42-A68 HydrophobicContact CG1-CB 3.57Å; V42-A68 HydrophobicContact CG2-CB 3.68Å; N66-A68 PolarHBondContact O-N 3.41Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.01Å; A68-V71 PolarHBondContact O-N 3.34Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 VanDerWaalsContact O-CG 3.24Å; A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 2.9Å; A68-N101 WeakPolarHBondContact CA-OD1 3.2Å; A68-N101 WeakPolarHBondContact CB-OD1 3.47Å; A68-N101 PolarHBondContact N-OD1 3.39Å; A68-I104 HydrophobicContact CB-CD1 3.34Å
69A89.1Confident89.6Confident8 Ų857.7 Ų57.77%0.06628%0.28CS..Hα-helixtrans-62.4-45.2179.100000109.9D67 K73 E93 T100D67-A69 VanDerWaalsContact C-N 3.34Å; D67-A69 PolarHBondContact O-N 3.38Å; D67-A69 PolarHBondContact OD1-N 2.87Å; A69-K73 VanDerWaalsContact O-CB 3.25Å; A69-K73 WeakPolarHBondContact O-CB 3.42Å; A69-K73 PolarHBondContact O-N 3.28Å; A69-E93 HydrophobicContact CB-CB 4.34Å; A69-E93 HydrophobicContact CB-CG 4.5Å; A69-T100 HydrophobicContact CB-CG2 3.69Å
70T88.2Confident89.4Confident23 Ų2353.1 Ų53.114%0.14126%0.26CS..Hα-helixtrans-65.4-44174.2-50.80000112T65 D67 A68 L72 K73 E74 R378T65-T70 HydrophobicContact CG2-CG2 4.21Å; D67-T70 PolarHBondContact O-N 3.23Å; D67-T70 WeakPolarHBondContact OD2-CB 3.41Å; D67-T70 PolarHBondContact OD2-N 3.17Å; D67-T70 PolarHBondContact OD2-OG1 3.47Å; A68-T70 VanDerWaalsContact C-N 3.3Å; A68-T70 PolarHBondContact O-N 3.01Å; T70-L72 PolarHBondContact O-N 3.48Å; T70-K73 PolarHBondContact O-N 3.23Å; T70-E74 WeakPolarHBondContact O-CG 3.2Å; T70-E74 PolarHBondContact O-N 2.75Å; T70-R378 VanDerWaalsContact CG2-NH1 3.26Å; T70-R378 VanDerWaalsContact CG2-NH2 3.29Å
71V91.8Very high89.3Confident7 Ų745.1 Ų45.14%0.04222%0.223CC..Hα-helixtrans-56.8-50.8178.2165.50000111.2K53 I55 T65 D67 A68 K73 E74 L75K53-V71 HydrophobicContact CB-CG2 4.16Å; K53-V71 HydrophobicContact CG-CG2 4.39Å; I55-V71 VanDerWaalsContact CD1-CA 3.43Å; I55-V71 HydrophobicContact CD1-CB 3.77Å; I55-V71 HydrophobicContact CD1-CG1 3.69Å; I55-V71 HydrophobicContact CD1-CG2 3.82Å; T65-V71 HydrophobicContact CG2-CG2 3.82Å; D67-V71 VanDerWaalsContact O-CG2 3.23Å; D67-V71 WeakPolarHBondContact O-CG2 3.32Å; D67-V71 PolarHBondContact O-N 3.15Å; A68-V71 PolarHBondContact O-N 3.34Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.92Å; V71-E74 PolarHBondContact O-N 3.42Å; V71-L75 HydrophobicContact CG1-CD1 3.91Å; V71-L75 VanDerWaalsContact O-CG 3.28Å; V71-L75 WeakPolarHBondContact O-CG 3.12Å; V71-L75 PolarHBondContact O-N 3.24Å
72L91.4Very high89.4Confident2 Ų240 Ų401%0.0120%0.201CC..Hα-helixtrans-70.7-29.4-175.9-68.7180000113L38 A68 T70 L75 I77 V86 I104L38-L72 HydrophobicContact CD1-CD2 4.18Å; L38-L72 HydrophobicContact CD2-CD2 4.06Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 VanDerWaalsContact O-CG 3.24Å; A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 2.9Å; T70-L72 PolarHBondContact O-N 3.48Å; L72-L75 HydrophobicContact CD2-CD1 4.38Å; L72-L75 PolarHBondContact O-N 2.95Å; L72-I77 HydrophobicContact CD2-CD1 4.23Å; L72-V86 HydrophobicContact CB-CG1 4.17Å; L72-V86 HydrophobicContact CB-CG2 3.89Å; L72-V86 HydrophobicContact CD1-CG2 4.26Å; L72-V86 HydrophobicContact CG-CG2 4.49Å; L72-I104 HydrophobicContact CD1-CD1 3.39Å; L72-I104 HydrophobicContact CD1-CG1 4.1Å; L72-I104 HydrophobicContact CG-CD1 4.48Å
73K89.3Confident89.4Confident139 Ų13939.8 Ų39.860%0.60420%0.198SC*.Hα-helixtrans-68.6-37.3177.3-175.4-179.7-179.6-176.40112.7A69 T70 V71A69-K73 VanDerWaalsContact O-CB 3.25Å; A69-K73 WeakPolarHBondContact O-CB 3.42Å; A69-K73 PolarHBondContact O-N 3.28Å; T70-K73 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.34Å; V71-K73 PolarHBondContact O-N 2.92Å
74E89.6Confident89.4Confident37 Ų3740.9 Ų40.917%0.17320%0.204CC..Hα-helixtrans-81.2-19.7179.4-61.3-60.2142.300112.3I55 N57 F63 T70 V71I55-E74 HydrophobicContact CG2-CB 3.94Å; N57-E74 PolarHBondContact ND2-OE2 3.2Å; F63-E74 HydrophobicContact CD2-CG 3.97Å; F63-E74 HydrophobicContact CE2-CG 4.02Å; F63-E74 VanDerWaalsContact CE2-OE2 3.27Å; F63-E74 WeakPolarHBondContact CE2-OE2 3.37Å; F63-E74 HydrophobicContact CG-CG 4.42Å; T70-E74 WeakPolarHBondContact O-CG 3.2Å; T70-E74 PolarHBondContact O-N 2.75Å; V71-E74 PolarHBondContact O-N 3.42Å
75L89.6Confident89.4Confident68 Ų6839.1 Ų39.136%0.35619%0.193SC..SBendtrans-77.7141.6175.6-71.9172.4000112.6V71 L72 I77V71-L75 HydrophobicContact CG1-CD1 3.91Å; V71-L75 VanDerWaalsContact O-CG 3.28Å; V71-L75 WeakPolarHBondContact O-CG 3.12Å; V71-L75 PolarHBondContact O-N 3.24Å; L72-L75 HydrophobicContact CD2-CD1 4.38Å; L72-L75 PolarHBondContact O-N 2.95Å; L75-I77 HydrophobicContact CB-CG1 4.41Å; L75-I77 PolarHBondContact O-N 2.87Å
76Q87.3Confident89.5Confident116 Ų11639.8 Ų39.854%0.54220%0.197SC..  trans-90.897.8176-66.515849.300110.4R58R58-Q76 VanDerWaalsContact CZ-CD 3.42Å
77I87.3Confident89.6Confident45 Ų4543.2 Ų43.223%0.23121%0.214CC..  trans-95.3121.2-176.2-67.8158.8000110.6L38 L72 L75 A82 V86L38-I77 HydrophobicContact CD1-CD1 3.89Å; L38-I77 HydrophobicContact CD1-CG1 4.35Å; L38-I77 HydrophobicContact CD2-CD1 4.39Å; L38-I77 HydrophobicContact CD2-CG1 4.45Å; L72-I77 HydrophobicContact CD2-CD1 4.23Å; L75-I77 HydrophobicContact CB-CG1 4.41Å; L75-I77 PolarHBondContact O-N 2.87Å; I77-A82 HydrophobicContact CG2-CB 3.35Å; I77-V86 HydrophobicContact CD1-CG2 3.19Å
78E86.1Confident89.7Confident142 Ų14243.7 Ų43.766%0.66422%0.218SC*.  trans-88.2-32.9178.2-65.4-162.1176.700114.1R485E78-R485 IonicContact OE2-CZ 3.36Å; E78-R485 IonicContact OE2-NH1 3.39Å; E78-R485 PolarHBondContact OE2-NH1 3.46Å; E78-R485 IonicContact OE2-NH2 2.72Å; E78-R485 PolarHBondContact OE2-NH2 3.36Å
79H86.7Confident89.7Confident55 Ų5543.6 Ų43.626%0.25522%0.218SC..  trans-77.3131.1-171.5-166.1-77.7000110.9A34 A81 A82 K83A34-H79 HydrophobicContact CB-CB 4.04Å; H79-A81 WeakPolarHBondContact ND1-CB 3.09Å; H79-A81 PolarHBondContact ND1-N 2.8Å; H79-A81 VanDerWaalsContact ND1-N 3.16Å; H79-A81 PolarHBondContact O-N 3.27Å; H79-A82 HydrophobicContact CB-CB 3.96Å; H79-A82 WeakPolarHBondContact O-CB 3.39Å; H79-A82 PolarHBondContact O-N 3.17Å; H79-K83 PolarHBondContact O-N 3.44Å
80P87.8Confident89.8Confident54 Ų5446 Ų4635%0.35123%0.228SC..Hα-helixtrans-63.2-39.8-175.923.3-33000112.9A82 K83 L84 V483P80-A82 VanDerWaalsContact C-N 3.32Å; P80-A82 PolarHBondContact O-N 2.84Å; P80-K83 WeakPolarHBondContact O-CB 3.42Å; P80-K83 PolarHBondContact O-N 3.36Å; P80-L84 PolarHBondContact O-N 2.79Å; P80-L84 VanDerWaalsContact O-N 3.11Å; P80-V483 HydrophobicContact CG-CG1 3.8Å
81A88.5Confident90Very high4 Ų448.4 Ų48.43%0.03324%0.237CC..Hα-helixtrans-62.4-39.217600000112.6H79 K83 L84 L85 L477H79-A81 WeakPolarHBondContact ND1-CB 3.09Å; H79-A81 PolarHBondContact ND1-N 2.8Å; H79-A81 VanDerWaalsContact ND1-N 3.16Å; H79-A81 PolarHBondContact O-N 3.27Å; A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.3Å; A81-L84 WeakPolarHBondContact O-CB 3.29Å; A81-L84 PolarHBondContact O-N 2.86Å; A81-L85 PolarHBondContact O-N 3.23Å; A81-L477 HydrophobicContact CB-CD1 4.47Å; A81-L477 HydrophobicContact CB-CD2 3.56Å
82A90.4Very high90Very high3 Ų348 Ų483%0.02524%0.235CC..Hα-helixtrans-68.4-33.8176.200000111.7L38 I77 H79 P80 L84 L85 V86L38-A82 HydrophobicContact CD1-CB 3.52Å; L38-A82 HydrophobicContact CG-CB 4.44Å; I77-A82 HydrophobicContact CG2-CB 3.35Å; H79-A82 HydrophobicContact CB-CB 3.96Å; H79-A82 WeakPolarHBondContact O-CB 3.39Å; H79-A82 PolarHBondContact O-N 3.17Å; P80-A82 VanDerWaalsContact C-N 3.32Å; P80-A82 PolarHBondContact O-N 2.84Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 2.84Å; A82-L85 WeakPolarHBondContact O-CB 3.18Å; A82-L85 PolarHBondContact O-N 3.37Å; A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3.22Å
83K90.9Very high89.9Confident67 Ų6750.7 Ų50.729%0.29125%0.247SC..Hα-helixtrans-64.5-34.9172.8-160.9-177.6178.1177.20112.1H79 P80 A81 V86 M87 N494H79-K83 PolarHBondContact O-N 3.44Å; P80-K83 WeakPolarHBondContact O-CB 3.42Å; P80-K83 PolarHBondContact O-N 3.36Å; A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.3Å; K83-V86 PolarHBondContact O-N 2.81Å; K83-M87 HydrophobicContact CB-CE 4.39Å; K83-M87 HydrophobicContact CD-CE 4.35Å; K83-M87 HydrophobicContact CG-CE 3.97Å; K83-M87 WeakPolarHBondContact O-CE 3.36Å; K83-M87 WeakPolarHBondContact O-CG 3.48Å; K83-M87 PolarHBondContact O-N 3.08Å; K83-M87 VanDerWaalsContact O-N 3.07Å; K83-N494 PolarHBondContact NZ-OD1 3.25Å
84L91.5Very high90Very high42 Ų4251.4 Ų51.422%0.2225%0.246CC..Hα-helixtrans-64.1-38.5173.3-70.2168.5000112P80 A81 A82 V86 M87 A88 L473 L477P80-L84 PolarHBondContact O-N 2.79Å; P80-L84 VanDerWaalsContact O-N 3.11Å; A81-L84 WeakPolarHBondContact O-CB 3.29Å; A81-L84 PolarHBondContact O-N 2.86Å; A82-L84 VanDerWaalsContact C-N 3.31Å; A82-L84 PolarHBondContact O-N 2.84Å; L84-V86 PolarHBondContact O-N 2.86Å; L84-M87 HydrophobicContact CD2-CE 3.73Å; L84-M87 HydrophobicContact CG-CE 4.29Å; L84-M87 PolarHBondContact O-N 3.05Å; L84-A88 PolarHBondContact O-N 2.8Å; L84-L473 WeakPolarHBondContact O-CD1 3.48Å; L84-L477 HydrophobicContact CB-CD2 4.42Å; L84-L477 HydrophobicContact CD1-CD2 3.51Å; L84-L477 HydrophobicContact CD1-CG 4.42Å
85L91.6Very high89.8Confident2 Ų252.8 Ų52.81%0.0125%0.253CS..Hα-helixtrans-59.7-44.1172-76.8171.3000112.5C35 A81 A82 M87 A88 S89 A107 V108 L473C35-L85 HydrophobicContact CB-CD1 3.59Å; C35-L85 WeakPolarHBondContact SG-CD1 3.34Å; A81-L85 PolarHBondContact O-N 3.23Å; A82-L85 WeakPolarHBondContact O-CB 3.18Å; A82-L85 PolarHBondContact O-N 3.37Å; L85-M87 VanDerWaalsContact C-N 3.35Å; L85-M87 PolarHBondContact O-N 2.99Å; L85-A88 PolarHBondContact O-N 2.93Å; L85-S89 PolarHBondContact O-N 3.02Å; L85-A107 HydrophobicContact CD2-CB 4.05Å; L85-V108 HydrophobicContact CD1-CG2 3.83Å; L85-V108 HydrophobicContact CD2-CG2 4.14Å; L85-L473 HydrophobicContact CB-CD1 4.46Å; L85-L473 HydrophobicContact CD2-CD1 3.74Å; L85-L473 HydrophobicContact CD2-CD2 3.47Å; L85-L473 VanDerWaalsContact CD2-CD2 3.47Å; L85-L473 HydrophobicContact CD2-CG 4.3Å; L85-L473 HydrophobicContact CG-CD1 4.19Å; L85-L473 HydrophobicContact CG-CD2 4.14Å
86V92Very high89.6Confident14 Ų1449.7 Ų49.79%0.08524%0.237CC..Hα-helixtrans-61.2-45.9176.7-176.50000111.1L72 I77 A82 K83 L84 A88 S89 E90L72-V86 HydrophobicContact CB-CG1 4.17Å; L72-V86 HydrophobicContact CB-CG2 3.89Å; L72-V86 HydrophobicContact CD1-CG2 4.26Å; L72-V86 HydrophobicContact CG-CG2 4.49Å; I77-V86 HydrophobicContact CD1-CG2 3.19Å; A82-V86 WeakPolarHBondContact O-CG2 3.33Å; A82-V86 PolarHBondContact O-N 3.22Å; K83-V86 PolarHBondContact O-N 2.81Å; L84-V86 PolarHBondContact O-N 2.86Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 2.8Å; V86-S89 PolarHBondContact O-N 3.01Å; V86-S89 VanDerWaalsContact O-N 3.1Å; V86-S89 PolarHBondContact O-OG 2.73Å; V86-E90 HydrophobicContact CG1-CG 4.46Å; V86-E90 PolarHBondContact O-N 2.84Å
87M91.9Very high89.5Confident76 Ų7644.2 Ų44.237%0.37421%0.211SC..Hα-helixtrans-59.8-38.3178.5-72.2-174.7-95.100112.3K83 L84 L85 E90 E91K83-M87 HydrophobicContact CB-CE 4.39Å; K83-M87 HydrophobicContact CD-CE 4.35Å; K83-M87 HydrophobicContact CG-CE 3.97Å; K83-M87 WeakPolarHBondContact O-CE 3.36Å; K83-M87 WeakPolarHBondContact O-CG 3.48Å; K83-M87 PolarHBondContact O-N 3.08Å; K83-M87 VanDerWaalsContact O-N 3.07Å; L84-M87 HydrophobicContact CD2-CE 3.73Å; L84-M87 HydrophobicContact CG-CE 4.29Å; L84-M87 PolarHBondContact O-N 3.05Å; L85-M87 VanDerWaalsContact C-N 3.35Å; L85-M87 PolarHBondContact O-N 2.99Å; M87-E90 PolarHBondContact O-N 3.4Å; M87-E91 PolarHBondContact O-N 2.9Å
88A91.7Very high89.5Confident12 Ų1243.1 Ų43.110%0.09921%0.206CC..Hα-helixtrans-67.7-38.1174.700000112.8L84 L85 V86 E91 Q92 V103 L473L84-A88 PolarHBondContact O-N 2.8Å; L85-A88 PolarHBondContact O-N 2.93Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 2.8Å; A88-E91 PolarHBondContact O-N 3.05Å; A88-Q92 PolarHBondContact O-N 2.8Å; A88-Q92 VanDerWaalsContact O-N 3.08Å; A88-V103 HydrophobicContact CB-CG1 4.32Å; A88-L473 HydrophobicContact CB-CD1 3.45Å; A88-L473 VanDerWaalsContact CB-CD1 3.45Å
89S91.6Very high89.5Confident0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-65.5-39174.770.10000112.5L85 V86 E91 Q92 E93L85-S89 PolarHBondContact O-N 3.02Å; V86-S89 PolarHBondContact O-N 3.01Å; V86-S89 VanDerWaalsContact O-N 3.1Å; V86-S89 PolarHBondContact O-OG 2.73Å; S89-E91 VanDerWaalsContact C-N 3.32Å; S89-E91 PolarHBondContact O-N 2.89Å; S89-Q92 PolarHBondContact O-N 3.06Å; S89-E93 PolarHBondContact O-N 2.99Å; S89-E93 VanDerWaalsContact O-N 3.08Å
90E91.7Very high89.8Confident58 Ų5834.7 Ų34.727%0.27117%0.171SC..Hα-helixtrans-65.9-34174.4-72.1-172.5-178.200112.5V86 M87 R94V86-E90 HydrophobicContact CG1-CG 4.46Å; V86-E90 PolarHBondContact O-N 2.84Å; M87-E90 PolarHBondContact O-N 3.4Å; E90-R94 WeakPolarHBondContact O-CG 2.9Å; E90-R94 PolarHBondContact O-N 3.23Å; E90-R94 VanDerWaalsContact O-N 3.1Å; E90-R94 IonicContact OE2-NH2 3.14Å; E90-R94 PolarHBondContact OE2-NH2 3.35Å
91E91.6Very high90Very high73 Ų7333 Ų3334%0.34116%0.159SC..Hα-helixtrans-70.4-41.6177.9-165.867.5-178.900111.3M87 A88 S89 E93 R94 E95 L469M87-E91 PolarHBondContact O-N 2.9Å; A88-E91 PolarHBondContact O-N 3.05Å; S89-E91 VanDerWaalsContact C-N 3.32Å; S89-E91 PolarHBondContact O-N 2.89Å; E91-E93 VanDerWaalsContact C-N 3.3Å; E91-E93 PolarHBondContact O-N 3.04Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 IonicContact OE2-NH1 2.8Å; E91-E95 HydrophobicContact CG-CG 4.48Å; E91-E95 PolarHBondContact O-N 2.87Å; E91-L469 HydrophobicContact CB-CD1 4.42Å; E91-L469 HydrophobicContact CG-CD2 4.34Å
92Q91.6Very high90.1Very high0 Ų032.9 Ų32.90%016%0.158CC..Hα-helixtrans-59.3-43173.2-177.267.919.800111.5A88 S89 R94 V96 G97 D98 T100 V103 T462 W465 L469A88-Q92 PolarHBondContact O-N 2.8Å; A88-Q92 VanDerWaalsContact O-N 3.08Å; S89-Q92 PolarHBondContact O-N 3.06Å; Q92-R94 VanDerWaalsContact C-N 3.29Å; Q92-R94 PolarHBondContact O-N 3.41Å; Q92-V96 PolarHBondContact O-N 2.88Å; Q92-G97 PolarHBondContact O-N 2.85Å; Q92-G97 VanDerWaalsContact O-N 3.1Å; Q92-D98 VanDerWaalsContact CG-O 3.31Å; Q92-D98 WeakPolarHBondContact CG-O 3.39Å; Q92-D98 PolarHBondContact NE2-O 3.23Å; Q92-T100 HydrophobicContact CG-CG2 4.44Å; Q92-V103 HydrophobicContact CB-CG2 4.01Å; Q92-V103 HydrophobicContact CG-CG2 3.77Å; Q92-T462 PolarHBondContact NE2-O 3.36Å; Q92-W465 VanDerWaalsContact OE1-CB 3.28Å; Q92-L469 HydrophobicContact CB-CD1 3.87Å
93E90.3Very high90.2Very high58 Ų5832.8 Ų32.827%0.27116%0.157SC..Hα-helixtrans-62.5-35.2176.9-173.465.5-169.300112.2A69 S89 E91 G97 T100A69-E93 HydrophobicContact CB-CB 4.34Å; A69-E93 HydrophobicContact CB-CG 4.5Å; S89-E93 PolarHBondContact O-N 2.99Å; S89-E93 VanDerWaalsContact O-N 3.08Å; E91-E93 VanDerWaalsContact C-N 3.3Å; E91-E93 PolarHBondContact O-N 3.04Å; E93-G97 WeakPolarHBondContact O-CA 3.47Å; E93-G97 PolarHBondContact O-N 3.18Å; E93-T100 HydrophobicContact CB-CG2 4.14Å; E93-T100 WeakPolarHBondContact OE2-CG2 3.29Å
94R89.5Confident90.4Very high153 Ų15329.7 Ų29.758%0.57714%0.143SC*.Hα-helixtrans-77.7-39.4178.9-73.9176.6-168.6144.914.8113.7E90 E91 Q92E90-R94 WeakPolarHBondContact O-CG 2.9Å; E90-R94 PolarHBondContact O-N 3.23Å; E90-R94 VanDerWaalsContact O-N 3.1Å; E90-R94 IonicContact OE2-NH2 3.14Å; E90-R94 PolarHBondContact OE2-NH2 3.35Å; E91-R94 PolarHBondContact O-N 3.3Å; E91-R94 IonicContact OE2-NH1 2.8Å; Q92-R94 VanDerWaalsContact C-N 3.29Å; Q92-R94 PolarHBondContact O-N 3.41Å
95E86.3Confident90.5Very high67 Ų6727.7 Ų27.731%0.31313%0.133SC..Hα-helixtrans-82.5-41.4-174.1-72.4-67.7148.500112.4E91E91-E95 HydrophobicContact CG-CG 4.48Å; E91-E95 PolarHBondContact O-N 2.87Å
96V85.6Confident90.6Very high3 Ų327.6 Ų27.62%0.01813%0.132CC..THydrogen-bonded Turntrans-115.9-40.1-177.2-176.60000111.6Q92 D98 N385 L461 T462 W465Q92-V96 PolarHBondContact O-N 2.88Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 HydrophobicContact CG1-CB 4.34Å; V96-N385 WeakPolarHBondContact O-CB 3.46Å; V96-L461 HydrophobicContact CG2-CG 4.32Å; V96-T462 HydrophobicContact CG1-CG2 4.14Å; V96-T462 VanDerWaalsContact CG1-OG1 3.29Å; V96-T462 WeakPolarHBondContact CG1-OG1 3.38Å; V96-W465 HydrophobicContact CG2-CB 4.1Å; V96-W465 VanDerWaalsContact CG2-CD1 3.46Å; V96-W465 HydrophobicContact CG2-CG 4.05Å
97G84.8Confident90.7Very high1 Ų126.9 Ų26.91%0.0113%0.128CC..SBendtrans76.119.1-174.400000114.2Q92 E93Q92-G97 PolarHBondContact O-N 2.85Å; Q92-G97 VanDerWaalsContact O-N 3.1Å; E93-G97 WeakPolarHBondContact O-CA 3.47Å; E93-G97 PolarHBondContact O-N 3.18Å
98D87.8Confident90.8Very high22 Ų2223.3 Ų23.312%0.11811%0.111CC..SBendtrans-154.2162.1174.5-170.13.2000109.2Q92 V96 N386 T462Q92-D98 VanDerWaalsContact CG-O 3.31Å; Q92-D98 WeakPolarHBondContact CG-O 3.39Å; Q92-D98 PolarHBondContact NE2-O 3.23Å; V96-D98 VanDerWaalsContact C-N 3.32Å; V96-D98 HydrophobicContact CG1-CB 4.34Å; D98-N386 PolarHBondContact OD2-ND2 3.21Å; D98-T462 HydrophobicContact CB-CG2 4.19Å
99G86.7Confident90.9Very high14 Ų1422.8 Ų22.814%0.14411%0.106CC..  trans83.313174.100000115.1N101 G102 V103G99-N101 PolarHBondContact O-N 3.37Å; G99-G102 PolarHBondContact O-N 3.02Å; G99-G102 VanDerWaalsContact O-N 3.13Å; G99-V103 PolarHBondContact O-N 2.85Å
100T91.2Very high91.1Very high5 Ų522.8 Ų22.83%0.03111%0.106CC..Hα-helixtrans-55.6-47.6179.956.50000112.4D67 A69 Q92 E93 G102 V103 I104D67-T100 PolarHBondContact OD1-OG1 2.74Å; A69-T100 HydrophobicContact CB-CG2 3.69Å; Q92-T100 HydrophobicContact CG-CG2 4.44Å; E93-T100 HydrophobicContact CB-CG2 4.14Å; E93-T100 WeakPolarHBondContact OE2-CG2 3.29Å; T100-G102 VanDerWaalsContact C-N 3.3Å; T100-G102 PolarHBondContact O-N 2.83Å; T100-V103 PolarHBondContact O-N 2.68Å; T100-I104 PolarHBondContact O-N 3.49Å
101N92.3Very high91.2Very high20 Ų2020.1 Ų20.111%0.1079%0.094CC..Hα-helixtrans-58.5-41.8177-69.3-11.5000111.7V42 Y46 N66 A68 G99 I104 I105V42-N101 HydrophobicContact CG1-CB 4.27Å; Y46-N101 HydrophobicContact CD2-CB 3.68Å; Y46-N101 HydrophobicContact CE2-CB 4.36Å; N66-N101 PolarHBondContact O-ND2 3.09Å; N66-N101 VanDerWaalsContact O-ND2 3.13Å; A68-N101 WeakPolarHBondContact CA-OD1 3.2Å; A68-N101 WeakPolarHBondContact CB-OD1 3.47Å; A68-N101 PolarHBondContact N-OD1 3.39Å; G99-N101 PolarHBondContact O-N 3.37Å; N101-I104 PolarHBondContact O-N 2.89Å; N101-I105 WeakPolarHBondContact O-CD1 3.43Å; N101-I105 VanDerWaalsContact O-CG1 3.31Å; N101-I105 WeakPolarHBondContact O-CG1 3.41Å; N101-I105 PolarHBondContact O-N 2.67Å; N101-I105 VanDerWaalsContact O-N 3.14Å
102G90.9Very high91.3Very high1 Ų119.3 Ų19.31%0.019%0.09CC..Hα-helixtrans-65.3-39.6-178.400000112.8G99 T100 I104 L106G99-G102 PolarHBondContact O-N 3.02Å; G99-G102 VanDerWaalsContact O-N 3.13Å; T100-G102 VanDerWaalsContact C-N 3.3Å; T100-G102 PolarHBondContact O-N 2.83Å; G102-I104 PolarHBondContact O-N 2.74Å; G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 PolarHBondContact O-N 3.02Å
103V93.2Very high91.3Very high1 Ų120.1 Ų20.11%0.0069%0.094CC..Hα-helixtrans-58.8-48.1176.8173.70000111A88 Q92 G99 T100 A107 M466 L469A88-V103 HydrophobicContact CB-CG1 4.32Å; Q92-V103 HydrophobicContact CB-CG2 4.01Å; Q92-V103 HydrophobicContact CG-CG2 3.77Å; G99-V103 PolarHBondContact O-N 2.85Å; T100-V103 PolarHBondContact O-N 2.68Å; V103-A107 WeakPolarHBondContact O-CB 3.44Å; V103-A107 PolarHBondContact O-N 2.84Å; V103-M466 HydrophobicContact CG2-CB 4.14Å; V103-M466 HydrophobicContact CG2-CG 3.91Å; V103-L469 HydrophobicContact CG1-CB 4.25Å
104I93.9Very high91.4Very high1 Ų117.3 Ų17.31%0.0058%0.081CC..Hα-helixtrans-67.1-47.2-176.4-64.3152.7000110.5V42 A68 L72 T100 N101 G102 L106 A107 V108V42-I104 HydrophobicContact CG1-CD1 4.47Å; V42-I104 HydrophobicContact CG2-CD1 4.45Å; A68-I104 HydrophobicContact CB-CD1 3.34Å; L72-I104 HydrophobicContact CD1-CD1 3.39Å; L72-I104 HydrophobicContact CD1-CG1 4.1Å; L72-I104 HydrophobicContact CG-CD1 4.48Å; T100-I104 PolarHBondContact O-N 3.49Å; N101-I104 PolarHBondContact O-N 2.89Å; G102-I104 PolarHBondContact O-N 2.74Å; I104-L106 PolarHBondContact O-N 3.5Å; I104-A107 PolarHBondContact O-N 3.13Å; I104-V108 WeakPolarHBondContact O-CB 3.22Å; I104-V108 WeakPolarHBondContact O-CG2 3.39Å; I104-V108 PolarHBondContact O-N 2.72Å
105I94.1Very high91.5Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-62.9-45.5-178.5-66.7166.4000110.5V42 R43 Y46 N101 A109 V432 L433 Q436V42-I105 HydrophobicContact CG1-CG1 4.49Å; R43-I105 HydrophobicContact CG-CD1 4.44Å; R43-I105 HydrophobicContact CG-CG1 4.1Å; Y46-I105 HydrophobicContact CD1-CD1 4.1Å; Y46-I105 HydrophobicContact CD2-CD1 3.94Å; Y46-I105 HydrophobicContact CG-CD1 3.6Å; N101-I105 WeakPolarHBondContact O-CD1 3.43Å; N101-I105 VanDerWaalsContact O-CG1 3.31Å; N101-I105 WeakPolarHBondContact O-CG1 3.41Å; N101-I105 PolarHBondContact O-N 2.67Å; N101-I105 VanDerWaalsContact O-N 3.14Å; I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 2.89Å; I105-V432 HydrophobicContact CG2-CG1 3.6Å; I105-L433 HydrophobicContact CB-CD2 4.04Å; I105-L433 HydrophobicContact CG2-CD2 3.84Å; I105-Q436 HydrophobicContact CD1-CG 4.34Å
106L93.5Very high91.8Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-66.9-44.5179.6-177.861.3000111.8G102 I104 V108 A109 L110 M430 M466 I467 A470G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 PolarHBondContact O-N 3.02Å; I104-L106 PolarHBondContact O-N 3.5Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 2.71Å; L106-A109 PolarHBondContact O-N 3.24Å; L106-L110 HydrophobicContact CG-CD1 4.44Å; L106-L110 WeakPolarHBondContact O-CG 3.04Å; L106-L110 PolarHBondContact O-N 2.86Å; L106-M430 HydrophobicContact CD1-CE 4.27Å; L106-M430 HydrophobicContact CD1-SD 3.72Å; L106-M430 HydrophobicContact CD2-CE 4.18Å; L106-M430 HydrophobicContact CD2-SD 4.12Å; L106-M466 HydrophobicContact CD2-CE 4.41Å; L106-I467 HydrophobicContact CD2-CG1 4.3Å; L106-A470 HydrophobicContact CB-CB 4.06Å; L106-A470 HydrophobicContact CD2-CB 3.76Å; L106-A470 HydrophobicContact CG-CB 3.81Å
107A94.3Very high92.1Very high0 Ų014.1 Ų14.10%07%0.07CC..Hα-helixtrans-63.9-40.1-179.400000111.9L85 V103 I104 L110 L111 A470 L473L85-A107 HydrophobicContact CD2-CB 4.05Å; V103-A107 WeakPolarHBondContact O-CB 3.44Å; V103-A107 PolarHBondContact O-N 2.84Å; I104-A107 PolarHBondContact O-N 3.13Å; A107-L110 PolarHBondContact O-N 3.25Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.44Å; A107-L111 PolarHBondContact O-N 3.34Å; A107-L111 VanDerWaalsContact O-N 3.08Å; A107-A470 HydrophobicContact CB-CB 3.98Å; A107-L473 HydrophobicContact CB-CD2 3.84Å
108V94.7Very high92.4Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-71.4-34.81771770000112.2C35 L36 A39 L85 I104 L106 L110 L111 E112C35-V108 HydrophobicContact CB-CG2 3.96Å; L36-V108 HydrophobicContact CD2-CG1 3.54Å; L36-V108 HydrophobicContact CG-CG1 3.98Å; A39-V108 HydrophobicContact CB-CB 3.79Å; A39-V108 HydrophobicContact CB-CG1 3.67Å; A39-V108 HydrophobicContact CB-CG2 3.83Å; L85-V108 HydrophobicContact CD1-CG2 3.83Å; L85-V108 HydrophobicContact CD2-CG2 4.14Å; I104-V108 WeakPolarHBondContact O-CB 3.22Å; I104-V108 WeakPolarHBondContact O-CG2 3.39Å; I104-V108 PolarHBondContact O-N 2.72Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 2.71Å; V108-L110 VanDerWaalsContact C-N 3.33Å; V108-L110 PolarHBondContact O-N 2.83Å; V108-L111 PolarHBondContact O-N 3.27Å; V108-E112 WeakPolarHBondContact O-CB 3.33Å; V108-E112 PolarHBondContact O-N 2.79Å
109A93.9Very high92.4Very high1 Ų120.4 Ų20.41%0.00810%0.098CC..Hα-helixtrans-61.3-41.1171.900000112.4I105 L106 E112 N113 V432I105-A109 WeakPolarHBondContact O-CB 3.46Å; I105-A109 PolarHBondContact O-N 2.89Å; L106-A109 PolarHBondContact O-N 3.24Å; A109-E112 PolarHBondContact O-N 2.8Å; A109-N113 WeakPolarHBondContact O-CB 3.25Å; A109-N113 PolarHBondContact O-N 3.21Å; A109-N113 PolarHBondContact O-ND2 3.48Å; A109-N113 VanDerWaalsContact O-ND2 3.15Å; A109-V432 HydrophobicContact CB-CB 3.97Å; A109-V432 HydrophobicContact CB-CG1 4.18Å; A109-V432 HydrophobicContact CB-CG2 3.6Å
110L94.4Very high92.6Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-62-43.9174.2-71.4170000111.4L106 A107 V108 N113 A114 Y131 F426 A470 T471 A474L106-L110 HydrophobicContact CG-CD1 4.44Å; L106-L110 WeakPolarHBondContact O-CG 3.04Å; L106-L110 PolarHBondContact O-N 2.86Å; A107-L110 PolarHBondContact O-N 3.25Å; V108-L110 VanDerWaalsContact C-N 3.33Å; V108-L110 PolarHBondContact O-N 2.83Å; L110-N113 PolarHBondContact O-N 3.14Å; L110-A114 VanDerWaalsContact O-CB 3.29Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.17Å; L110-Y131 HydrophobicContact CB-CE2 4.29Å; L110-Y131 HydrophobicContact CD2-CE2 4.39Å; L110-Y131 PolarHBondContact O-OH 2.97Å; L110-Y131 VanDerWaalsContact O-OH 3.07Å; L110-F426 HydrophobicContact CD1-CE2 4.13Å; L110-F426 HydrophobicContact CD2-CD2 3.29Å; L110-F426 HydrophobicContact CD2-CE2 3.6Å; L110-F426 HydrophobicContact CD2-CG 4.06Å; L110-A470 HydrophobicContact CD1-CB 4.32Å; L110-T471 HydrophobicContact CD1-CG2 4.49Å; L110-A474 HydrophobicContact CB-CB 3.89Å; L110-A474 HydrophobicContact CD1-CB 4.18Å
111L94Very high92.4Very high3 Ų328.6 Ų28.62%0.01615%0.151CC..Hα-helixtrans-65.3-39.5177.6-70.3172.5000113V32 C35 A107 V108 A114 R115 L473 A474 L477 L478V32-L111 HydrophobicContact CG1-CB 4.39Å; V32-L111 HydrophobicContact CG2-CB 4.17Å; C35-L111 HydrophobicContact CB-CD1 4.18Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.44Å; A107-L111 PolarHBondContact O-N 3.34Å; A107-L111 VanDerWaalsContact O-N 3.08Å; V108-L111 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 3.08Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 PolarHBondContact O-N 2.74Å; L111-L473 HydrophobicContact CD1-CD2 4.37Å; L111-A474 HydrophobicContact CD2-CB 4.36Å; L111-L477 HydrophobicContact CD1-CD1 3.48Å; L111-L477 VanDerWaalsContact CD1-CD1 3.48Å; L111-L477 HydrophobicContact CD2-CB 3.91Å; L111-L477 HydrophobicContact CD2-CD1 4.08Å; L111-L477 HydrophobicContact CG-CD1 4.39Å; L111-L478 HydrophobicContact CD2-CG 4.37Å
112E93.7Very high92.3Very high56 Ų5628.5 Ų28.526%0.26215%0.151SC..Hα-helixtrans-64.5-43.9177.3-176.4166.9-155.300111.3L36 R43 V108 A109 R115 E116L36-E112 HydrophobicContact CD2-CB 4.36Å; L36-E112 HydrophobicContact CD2-CG 4.44Å; R43-E112 IonicContact NH2-OE2 2.68Å; R43-E112 PolarHBondContact NH2-OE2 3.46Å; V108-E112 WeakPolarHBondContact O-CB 3.33Å; V108-E112 PolarHBondContact O-N 2.79Å; A109-E112 PolarHBondContact O-N 2.8Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 3.08Å; E112-E116 PolarHBondContact O-N 2.7Å
113N93.1Very high92.2Very high16 Ų1630.9 Ų30.99%0.08617%0.167CC..Hα-helixtrans-70.3-35175.6-79-50.2000112.6A109 L110 R115 E116 L117 K425 S429A109-N113 WeakPolarHBondContact O-CB 3.25Å; A109-N113 PolarHBondContact O-N 3.21Å; A109-N113 PolarHBondContact O-ND2 3.48Å; A109-N113 VanDerWaalsContact O-ND2 3.15Å; L110-N113 PolarHBondContact O-N 3.14Å; N113-R115 VanDerWaalsContact C-N 3.31Å; N113-R115 PolarHBondContact O-N 3.23Å; N113-E116 PolarHBondContact O-N 3.39Å; N113-L117 WeakPolarHBondContact O-CG 3.5Å; N113-L117 PolarHBondContact O-N 3.19Å; N113-K425 HydrophobicContact CB-CB 4.15Å; N113-K425 HydrophobicContact CB-CD 4.19Å; N113-S429 PolarHBondContact ND2-OG 3.45Å
114A92.6Very high92Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-63.8-38.2173.200000111.9L110 L111 E116 L117 I118 V127 Y131 L478L110-A114 VanDerWaalsContact O-CB 3.29Å; L110-A114 WeakPolarHBondContact O-CB 3.49Å; L110-A114 PolarHBondContact O-N 3.17Å; L111-A114 PolarHBondContact O-N 3.08Å; A114-E116 VanDerWaalsContact C-N 3.29Å; A114-E116 PolarHBondContact O-N 3.15Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.19Å; A114-L117 VanDerWaalsContact O-N 3.17Å; A114-I118 WeakPolarHBondContact O-CG1 3.35Å; A114-I118 PolarHBondContact O-N 2.99Å; A114-V127 HydrophobicContact CB-CG1 3.97Å; A114-Y131 WeakPolarHBondContact CA-OH 3.39Å; A114-Y131 HydrophobicContact CB-CE2 3.92Å; A114-Y131 PolarHBondContact N-OH 3.05Å; A114-Y131 VanDerWaalsContact N-OH 3.17Å; A114-L478 HydrophobicContact CB-CD1 3.75Å; A114-L478 HydrophobicContact CB-CD2 3.79Å; A114-L478 HydrophobicContact CB-CG 4.36Å
115R91.5Very high91.9Very high75 Ų7535.3 Ų35.328%0.28320%0.197SC..Hα-helixtrans-57.3-42.3174.7-176.3-17564.7162.7-2111.7H29 V32 L111 E112 N113 I118 H119H29-R115 VanDerWaalsContact CE1-CG 3.48Å; H29-R115 WeakPolarHBondContact CE1-CG 3.42Å; H29-R115 WeakPolarHBondContact ND1-CD 3.49Å; H29-R115 VanDerWaalsContact ND1-CG 3.27Å; H29-R115 WeakPolarHBondContact ND1-CG 3.45Å; V32-R115 HydrophobicContact CG1-CB 4.39Å; V32-R115 HydrophobicContact CG2-CB 4.44Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 PolarHBondContact O-N 2.74Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 3.08Å; N113-R115 VanDerWaalsContact C-N 3.31Å; N113-R115 PolarHBondContact O-N 3.23Å; R115-I118 PolarHBondContact O-N 3.06Å; R115-H119 PolarHBondContact O-N 3.24Å
116E91.7Very high91.7Very high79 Ų7939.3 Ų39.337%0.36922%0.216SC..Hα-helixtrans-65.5-40.6176.4-65.8-178.8177.400112.1E112 N113 A114 H119 M120 K425E112-E116 PolarHBondContact O-N 2.7Å; N113-E116 PolarHBondContact O-N 3.39Å; A114-E116 VanDerWaalsContact C-N 3.29Å; A114-E116 PolarHBondContact O-N 3.15Å; E116-H119 PolarHBondContact O-N 2.87Å; E116-M120 WeakPolarHBondContact O-CG 3.41Å; E116-M120 PolarHBondContact O-N 3.41Å; E116-K425 IonicContact OE2-NZ 2.61Å; E116-K425 PolarHBondContact OE2-NZ 2.84Å
117L91.8Very high91.7Very high1 Ų139.3 Ų39.31%0.00522%0.216CC..Hα-helixtrans-61.9-44.4176-65.2174.2000112N113 A114 H119 M120 G121 L122 V127 K425N113-L117 WeakPolarHBondContact O-CG 3.5Å; N113-L117 PolarHBondContact O-N 3.19Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.19Å; A114-L117 VanDerWaalsContact O-N 3.17Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.17Å; L117-M120 HydrophobicContact CD2-CE 3.64Å; L117-M120 HydrophobicContact CG-CE 4.43Å; L117-M120 PolarHBondContact O-N 3.39Å; L117-G121 PolarHBondContact O-N 3.17Å; L117-L122 HydrophobicContact CB-CB 4.42Å; L117-L122 HydrophobicContact CB-CD1 3.87Å; L117-L122 HydrophobicContact CD2-CD1 3.65Å; L117-L122 HydrophobicContact CG-CD1 4.26Å; L117-L122 WeakPolarHBondContact O-CB 3.28Å; L117-L122 PolarHBondContact O-N 3.34Å; L117-L122 VanDerWaalsContact O-N 3.14Å; L117-V127 HydrophobicContact CB-CG2 4.02Å; L117-V127 HydrophobicContact CD1-CG1 3.94Å; L117-V127 HydrophobicContact CD1-CG2 4.08Å; L117-K425 HydrophobicContact CD1-CB 4.01Å; L117-K425 HydrophobicContact CD1-CG 4.18Å; L117-K425 HydrophobicContact CD2-CB 4.3Å; L117-K425 HydrophobicContact CD2-CG 3.6Å; L117-K425 HydrophobicContact CG-CB 4.31Å; L117-K425 HydrophobicContact CG-CG 3.93Å
118I90.4Very high91.6Very high12 Ų1240.5 Ų40.56%0.06222%0.222CC..Hα-helixtrans-62.6-41.3177.4-67.7166.5000110.1I24 V28 A114 R115 M120 G121 L478I24-I118 HydrophobicContact CG2-CG2 4.26Å; V28-I118 HydrophobicContact CG1-CD1 3.9Å; A114-I118 WeakPolarHBondContact O-CG1 3.35Å; A114-I118 PolarHBondContact O-N 2.99Å; R115-I118 PolarHBondContact O-N 3.06Å; I118-M120 VanDerWaalsContact C-N 3.28Å; I118-M120 PolarHBondContact O-N 3.44Å; I118-G121 WeakPolarHBondContact O-CA 3.01Å; I118-G121 PolarHBondContact O-N 3.3Å; I118-L478 HydrophobicContact CD1-CD2 3.98Å
119H88.9Confident91.5Very high144 Ų14442 Ų4267%0.66723%0.232SC*.Hα-helixtrans-65.9-30177-162.958.7000113.1R115 E116 L117 G121R115-H119 PolarHBondContact O-N 3.24Å; E116-H119 PolarHBondContact O-N 2.87Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.17Å; H119-G121 PolarHBondContact O-N 3.44Å
120M89.6Confident91.3Very high124 Ų12441.9 Ų41.961%0.61123%0.232SC*.THydrogen-bonded Turntrans-73.2-4.2170.9-70.7-175.4-73.100113.5E116 L117 I118E116-M120 WeakPolarHBondContact O-CG 3.41Å; E116-M120 PolarHBondContact O-N 3.41Å; L117-M120 HydrophobicContact CD2-CE 3.64Å; L117-M120 HydrophobicContact CG-CE 4.43Å; L117-M120 PolarHBondContact O-N 3.39Å; I118-M120 VanDerWaalsContact C-N 3.28Å; I118-M120 PolarHBondContact O-N 3.44Å
121G88.2Confident91.2Very high66 Ų6641.9 Ų41.968%0.6823%0.232SC*.THydrogen-bonded Turntrans96.610176.700000115.2L117 I118 H119L117-G121 PolarHBondContact O-N 3.17Å; I118-G121 WeakPolarHBondContact O-CA 3.01Å; I118-G121 PolarHBondContact O-N 3.3Å; H119-G121 PolarHBondContact O-N 3.44Å
122L90.1Very high91.1Very high18 Ų1846.8 Ų46.89%0.09426%0.255CS..  trans-73.7133.3172.9-75.7154.8000110.7L117 V127 M418 Y421L117-L122 HydrophobicContact CB-CB 4.42Å; L117-L122 HydrophobicContact CB-CD1 3.87Å; L117-L122 HydrophobicContact CD2-CD1 3.65Å; L117-L122 HydrophobicContact CG-CD1 4.26Å; L117-L122 WeakPolarHBondContact O-CB 3.28Å; L117-L122 PolarHBondContact O-N 3.34Å; L117-L122 VanDerWaalsContact O-N 3.14Å; L122-V127 HydrophobicContact CB-CG2 4.25Å; L122-M418 HydrophobicContact CD2-CB 4.4Å; L122-M418 HydrophobicContact CD2-CE 4.09Å; L122-Y421 HydrophobicContact CD1-CG 4.45Å
123S88.9Confident90.9Very high52 Ų5247.2 Ų47.236%0.36426%0.259SS..  trans-68.6142.6176.171.70000111.6P125 M126 V127S123-P125 VanDerWaalsContact C-CD 3.45Å; S123-P125 VanDerWaalsContact C-N 3.34Å; S123-M126 WeakPolarHBondContact O-CB 3.16Å; S123-M126 PolarHBondContact O-N 2.94Å; S123-M126 VanDerWaalsContact OG-CG 3.29Å; S123-M126 WeakPolarHBondContact OG-CG 3.35Å; S123-V127 PolarHBondContact O-N 3.32Å
124A89.4Confident90.7Very high4 Ų446.5 Ų46.53%0.03326%0.255CS..Hα-helixtrans-53.7-40.6-179.700000114.1I24 M126 V127 I128I24-A124 HydrophobicContact CG2-CB 4.4Å; A124-M126 VanDerWaalsContact C-N 3.31Å; A124-M126 PolarHBondContact O-N 2.96Å; A124-V127 PolarHBondContact O-N 3.23Å; A124-V127 VanDerWaalsContact O-N 3.12Å; A124-I128 WeakPolarHBondContact O-CG1 3.02Å; A124-I128 PolarHBondContact O-N 3.12Å
125P90.9Very high90.5Very high91 Ų9146.6 Ų46.659%0.59126%0.256SS*.Hα-helixtrans-60.5-35176-25.436000114.2S123 V127 I128 S129S123-P125 VanDerWaalsContact C-CD 3.45Å; S123-P125 VanDerWaalsContact C-N 3.34Å; P125-V127 VanDerWaalsContact C-N 3.35Å; P125-I128 PolarHBondContact O-N 2.88Å; P125-S129 PolarHBondContact O-N 2.88Å
126M90.4Very high90.3Very high83 Ų8349 Ų4941%0.40927%0.27SS..Hα-helixtrans-72-29.2176.4-69.1177177.500112.5S123 A124 S129 G130 M418 S422S123-M126 WeakPolarHBondContact O-CB 3.16Å; S123-M126 PolarHBondContact O-N 2.94Å; S123-M126 VanDerWaalsContact OG-CG 3.29Å; S123-M126 WeakPolarHBondContact OG-CG 3.35Å; A124-M126 VanDerWaalsContact C-N 3.31Å; A124-M126 PolarHBondContact O-N 2.96Å; M126-S129 PolarHBondContact O-OG 3.44Å; M126-G130 PolarHBondContact O-N 3.36Å; M126-M418 HydrophobicContact SD-CB 4.39Å; M126-S422 PolarHBondContact O-OG 3.27Å
127V92.3Very high90Very high0 Ų048.2 Ų48.20%027%0.266CS..Hα-helixtrans-70.4-43.5172.7-178.20000110.1A114 L117 L122 S123 A124 P125 G130 Y131 S422 L478A114-V127 HydrophobicContact CB-CG1 3.97Å; L117-V127 HydrophobicContact CB-CG2 4.02Å; L117-V127 HydrophobicContact CD1-CG1 3.94Å; L117-V127 HydrophobicContact CD1-CG2 4.08Å; L122-V127 HydrophobicContact CB-CG2 4.25Å; S123-V127 PolarHBondContact O-N 3.32Å; A124-V127 PolarHBondContact O-N 3.23Å; A124-V127 VanDerWaalsContact O-N 3.12Å; P125-V127 VanDerWaalsContact C-N 3.35Å; V127-G130 PolarHBondContact O-N 2.97Å; V127-Y131 HydrophobicContact CG1-CD1 4.47Å; V127-Y131 HydrophobicContact CG1-CD2 4.19Å; V127-Y131 HydrophobicContact CG1-CE1 4.18Å; V127-Y131 HydrophobicContact CG1-CE2 3.88Å; V127-Y131 HydrophobicContact CG1-CG 4.48Å; V127-Y131 PolarHBondContact O-N 2.72Å; V127-S422 WeakPolarHBondContact CA-OG 3.28Å; V127-L478 HydrophobicContact CG1-CD1 3.9Å
128I93.1Very high89.6Confident26 Ų2648.2 Ų48.213%0.13327%0.266CS..Hα-helixtrans-59.3-52.2177.5-69.3164.9000111A124 P125 G130 Y131 E132 V475 L478A124-I128 WeakPolarHBondContact O-CG1 3.02Å; A124-I128 PolarHBondContact O-N 3.12Å; P125-I128 PolarHBondContact O-N 2.88Å; I128-G130 VanDerWaalsContact C-N 3.31Å; I128-G130 PolarHBondContact O-N 3Å; I128-Y131 PolarHBondContact O-N 3.48Å; I128-Y131 VanDerWaalsContact O-N 3.12Å; I128-E132 HydrophobicContact CG2-CG 4.45Å; I128-E132 WeakPolarHBondContact O-CG 3.4Å; I128-E132 PolarHBondContact O-N 3.5Å; I128-V475 HydrophobicContact CG1-CG1 4.45Å; I128-V475 HydrophobicContact CG2-CB 4.45Å; I128-V475 HydrophobicContact CG2-CG1 3.63Å; I128-V475 HydrophobicContact CG2-CG2 4.18Å; I128-L478 HydrophobicContact CD1-CB 4.12Å; I128-L478 HydrophobicContact CG1-CB 3.95Å
129S91.5Very high89.4Confident30 Ų3048.9 Ų48.921%0.2127%0.269CS..Hα-helixtrans-60-41.9-178.967.10000112.2P125 M126 Y131 E132 L133 E419P125-S129 PolarHBondContact O-N 2.88Å; M126-S129 PolarHBondContact O-OG 3.44Å; S129-Y131 PolarHBondContact O-N 3.04Å; S129-E132 PolarHBondContact O-N 3.5Å; S129-L133 WeakPolarHBondContact O-CG 3.48Å; S129-L133 PolarHBondContact O-N 3.27Å; S129-L133 VanDerWaalsContact O-N 3.08Å; S129-E419 VanDerWaalsContact CB-OE1 3.3Å; S129-E419 WeakPolarHBondContact CB-OE1 3.49Å; S129-E419 PolarHBondContact OG-OE1 3.27Å
130G90.7Very high89.1Confident0 Ų048.4 Ų48.40%027%0.267CS..Hα-helixtrans-65.6-35.8176.100000113.9M126 V127 I128 A134M126-G130 PolarHBondContact O-N 3.36Å; V127-G130 PolarHBondContact O-N 2.97Å; I128-G130 VanDerWaalsContact C-N 3.31Å; I128-G130 PolarHBondContact O-N 3Å; G130-A134 VanDerWaalsContact O-CB 3.26Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.49Å
131Y92.6Very high88.7Confident0 Ų045.9 Ų45.90%025%0.252CS..Hα-helixtrans-72.1-36.6175.8-77.72.1000113L110 A114 V127 I128 S129 G135 S422 F426 A474 L478L110-Y131 HydrophobicContact CB-CE2 4.29Å; L110-Y131 HydrophobicContact CD2-CE2 4.39Å; L110-Y131 PolarHBondContact O-OH 2.97Å; L110-Y131 VanDerWaalsContact O-OH 3.07Å; A114-Y131 WeakPolarHBondContact CA-OH 3.39Å; A114-Y131 HydrophobicContact CB-CE2 3.92Å; A114-Y131 PolarHBondContact N-OH 3.05Å; A114-Y131 VanDerWaalsContact N-OH 3.17Å; V127-Y131 HydrophobicContact CG1-CD1 4.47Å; V127-Y131 HydrophobicContact CG1-CD2 4.19Å; V127-Y131 HydrophobicContact CG1-CE1 4.18Å; V127-Y131 HydrophobicContact CG1-CE2 3.88Å; V127-Y131 HydrophobicContact CG1-CG 4.48Å; V127-Y131 PolarHBondContact O-N 2.72Å; I128-Y131 PolarHBondContact O-N 3.48Å; I128-Y131 VanDerWaalsContact O-N 3.12Å; S129-Y131 PolarHBondContact O-N 3.04Å; Y131-G135 PolarHBondContact O-N 3.3Å; Y131-S422 WeakPolarHBondContact CE1-O 3.36Å; Y131-F426 HydrophobicContact CD1-CB 3.94Å; Y131-F426 AromaticContact CD1-CD2 3.85Å; Y131-F426 HydrophobicContact CD1-CD2 3.85Å; Y131-F426 HydrophobicContact CD1-CG 4.38Å; Y131-F426 HydrophobicContact CE1-CB 3.98Å; Y131-F426 HydrophobicContact CE1-CD2 4.34Å; Y131-F426 HydrophobicContact CG-CD2 4.1Å; Y131-A474 HydrophobicContact CD2-CB 4.46Å; Y131-L478 HydrophobicContact CD2-CD1 4.13Å; Y131-L478 HydrophobicContact CE2-CD1 4.02Å
132E92Very high88.1Confident105 Ų10542.8 Ų42.849%0.49122%0.219SC..Hα-helixtrans-62.7-49.6173.8-71.4179.5160.600110.7I128 S129 A134 G135 E136 V475I128-E132 HydrophobicContact CG2-CG 4.45Å; I128-E132 WeakPolarHBondContact O-CG 3.4Å; I128-E132 PolarHBondContact O-N 3.5Å; S129-E132 PolarHBondContact O-N 3.5Å; E132-A134 PolarHBondContact O-N 2.75Å; E132-G135 PolarHBondContact O-N 3.13Å; E132-E136 PolarHBondContact O-N 2.75Å; E132-V475 HydrophobicContact CG-CG2 4.1Å
133L89.2Confident87.5Confident66 Ų6644.7 Ų44.735%0.34623%0.234SC..Hα-helixtrans-61.2-42.2176.9-71.8171.6000112.8S129 K137 E419S129-L133 WeakPolarHBondContact O-CG 3.48Å; S129-L133 PolarHBondContact O-N 3.27Å; S129-L133 VanDerWaalsContact O-N 3.08Å; L133-K137 WeakPolarHBondContact O-CG 3.35Å; L133-K137 PolarHBondContact O-N 2.72Å; L133-E419 WeakPolarHBondContact CD1-OE2 3.42Å
134A88.6Confident86.7Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-67.5-38.6177.500000111.8G130 E132 A138 I423 F426G130-A134 VanDerWaalsContact O-CB 3.26Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.49Å; E132-A134 PolarHBondContact O-N 2.75Å; A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.1Å; A134-A138 PolarHBondContact O-N 2.68Å; A134-I423 HydrophobicContact CB-CB 4.48Å; A134-I423 HydrophobicContact CB-CG1 4.24Å; A134-I423 HydrophobicContact CB-CG2 4.19Å; A134-F426 HydrophobicContact CB-CB 3.83Å; A134-F426 HydrophobicContact CB-CD1 3.44Å; A134-F426 VanDerWaalsContact CB-CD1 3.44Å; A134-F426 HydrophobicContact CB-CD2 4.03Å; A134-F426 HydrophobicContact CB-CE1 3.93Å; A134-F426 HydrophobicContact CB-CE2 4.49Å; A134-F426 HydrophobicContact CB-CG 3.49Å; A134-F426 VanDerWaalsContact CB-CG 3.49Å; A134-F426 HydrophobicContact CB-CZ 4.45Å
135G88.6Confident85.7Confident3 Ų347.7 Ų47.73%0.03126%0.259CS..Hα-helixtrans-61.6-47.4175.800000112.3Y131 E132 A138 L139Y131-G135 PolarHBondContact O-N 3.3Å; E132-G135 PolarHBondContact O-N 3.13Å; G135-A138 PolarHBondContact O-N 3.18Å; G135-L139 VanDerWaalsContact O-CG 3.3Å; G135-L139 WeakPolarHBondContact O-CG 3.38Å; G135-L139 PolarHBondContact O-N 3.28Å
136E88.1Confident84.5Confident124 Ų12446.6 Ų46.658%0.57925%0.248SC*.Hα-helixtrans-60.7-48.5177.4-71-175.9164.500111.9E132 A138 L139 E140E132-E136 PolarHBondContact O-N 2.75Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.69Å; E136-L139 PolarHBondContact O-N 3.19Å; E136-L139 VanDerWaalsContact O-N 3.15Å; E136-E140 WeakPolarHBondContact O-CG 3.45Å; E136-E140 PolarHBondContact O-N 3.4Å
137K84.6Confident83.2Confident64 Ų6445.4 Ų45.428%0.27825%0.245SC..Hα-helixtrans-61.3-37.8176.7-71.7179.4-177.8176.50112.9L133 E140 Y141 C415L133-K137 WeakPolarHBondContact O-CG 3.35Å; L133-K137 PolarHBondContact O-N 2.72Å; K137-E140 PolarHBondContact O-N 2.85Å; K137-Y141 PolarHBondContact O-N 3.05Å; K137-C415 PolarHBondContact NZ-SG 2.98Å
138A84.2Confident81.7Confident0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-65-39.9176.400000111.6A134 G135 E136 Y141 L142 F426A134-A138 VanDerWaalsContact O-CB 3.3Å; A134-A138 WeakPolarHBondContact O-CB 3.1Å; A134-A138 PolarHBondContact O-N 2.68Å; G135-A138 PolarHBondContact O-N 3.18Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.69Å; A138-Y141 PolarHBondContact O-N 2.9Å; A138-L142 WeakPolarHBondContact O-CB 3.41Å; A138-L142 PolarHBondContact O-N 3.41Å; A138-F426 HydrophobicContact CB-CE1 4.27Å
139L85.6Confident80Confident26 Ų2656.5 Ų56.514%0.13630%0.296CS..Hα-helixtrans-70.2-38.2176.4-65.9176.9000112.3G135 E136 Y141 L142 S143 Y464 I467 K468G135-L139 VanDerWaalsContact O-CG 3.3Å; G135-L139 WeakPolarHBondContact O-CG 3.38Å; G135-L139 PolarHBondContact O-N 3.28Å; E136-L139 PolarHBondContact O-N 3.19Å; E136-L139 VanDerWaalsContact O-N 3.15Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-L142 HydrophobicContact CD2-CD2 4.32Å; L139-L142 WeakPolarHBondContact O-CB 3.27Å; L139-L142 PolarHBondContact O-N 2.9Å; L139-S143 PolarHBondContact O-N 3.17Å; L139-S143 VanDerWaalsContact O-N 3.1Å; L139-Y464 HydrophobicContact CB-CE2 4.33Å; L139-Y464 HydrophobicContact CD1-CE2 4.03Å; L139-Y464 HydrophobicContact CD2-CD2 3.64Å; L139-Y464 HydrophobicContact CD2-CE2 3.88Å; L139-Y464 HydrophobicContact CD2-CG 4.25Å; L139-Y464 HydrophobicContact CG-CD2 4.5Å; L139-Y464 HydrophobicContact CG-CE2 4.3Å; L139-I467 HydrophobicContact CD2-CB 4.08Å; L139-I467 HydrophobicContact CD2-CG2 4.02Å; L139-I467 HydrophobicContact CG-CG2 4.42Å; L139-K468 HydrophobicContact CD1-CB 4.41Å
140E83.4Confident78.3Confident135 Ų13560.6 Ų60.663%0.63132%0.324SS*.Hα-helixtrans-60-45172.1-73.5178.8175.700110.9E136 K137 L142 S143 G144E136-E140 WeakPolarHBondContact O-CG 3.45Å; E136-E140 PolarHBondContact O-N 3.4Å; K137-E140 PolarHBondContact O-N 2.85Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 2.82Å; E140-S143 PolarHBondContact O-N 3.21Å; E140-S143 VanDerWaalsContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.49Å; E140-G144 PolarHBondContact O-N 3.04Å
141Y79.6Confident76.8Confident71 Ų7169.9 Ų69.928%0.27837%0.365SS..Hα-helixtrans-65.9-37.2176.8-174.8-122.2000113.1K137 A138 L139 S143 G144 I145 F401 A404 V405 L408K137-Y141 PolarHBondContact O-N 3.05Å; A138-Y141 PolarHBondContact O-N 2.9Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; Y141-S143 PolarHBondContact O-N 3.09Å; Y141-G144 PolarHBondContact O-N 2.93Å; Y141-I145 HydrophobicContact CD1-CD1 3.8Å; Y141-I145 HydrophobicContact CD1-CG1 4.45Å; Y141-I145 HydrophobicContact CD2-CD1 4.48Å; Y141-I145 HydrophobicContact CD2-CG1 4.4Å; Y141-I145 HydrophobicContact CE1-CD1 3.16Å; Y141-I145 HydrophobicContact CE1-CG1 4.06Å; Y141-I145 HydrophobicContact CE2-CD1 3.91Å; Y141-I145 HydrophobicContact CE2-CG1 3.96Å; Y141-I145 HydrophobicContact CG-CD1 4.45Å; Y141-I145 PolarHBondContact O-N 2.84Å; Y141-I145 WeakPolarHBondContact OH-CD1 3.48Å; Y141-F401 HydrophobicContact CD1-CD2 4.19Å; Y141-F401 AromaticContact CD1-CE2 3.49Å; Y141-F401 HydrophobicContact CD1-CE2 3.49Å; Y141-F401 VanDerWaalsContact CD1-CE2 3.49Å; Y141-F401 HydrophobicContact CD1-CZ 4.22Å; Y141-F401 HydrophobicContact CE1-CD2 4.35Å; Y141-F401 HydrophobicContact CE1-CE2 4.09Å; Y141-F401 HydrophobicContact CG-CE2 4.33Å; Y141-A404 HydrophobicContact CE1-CB 3.73Å; Y141-A404 WeakPolarHBondContact OH-CB 3.47Å; Y141-V405 HydrophobicContact CD1-CG2 3.92Å; Y141-V405 HydrophobicContact CE1-CG2 4.4Å; Y141-L408 HydrophobicContact CD1-CD1 3.22Å; Y141-L408 HydrophobicContact CD1-CG 4.48Å; Y141-L408 HydrophobicContact CD2-CD1 3.28Å; Y141-L408 HydrophobicContact CD2-CG 4.5Å; Y141-L408 HydrophobicContact CE1-CD1 3.31Å; Y141-L408 HydrophobicContact CE1-CG 4.2Å; Y141-L408 HydrophobicContact CE2-CD1 3.42Å; Y141-L408 VanDerWaalsContact CE2-CD1 3.42Å; Y141-L408 HydrophobicContact CE2-CD2 4.48Å; Y141-L408 HydrophobicContact CE2-CG 4.28Å; Y141-L408 HydrophobicContact CG-CD1 3.15Å; Y141-L408 VanDerWaalsContact CZ-CD1 3.41Å
142L77.2Confident75.7Confident0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-54.7-41.9173-167.176.9000110.5A138 L139 E140 G144 F396 F401 Y460 K463 Y464A138-L142 WeakPolarHBondContact O-CB 3.41Å; A138-L142 PolarHBondContact O-N 3.41Å; L139-L142 HydrophobicContact CD2-CD2 4.32Å; L139-L142 WeakPolarHBondContact O-CB 3.27Å; L139-L142 PolarHBondContact O-N 2.9Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 2.82Å; L142-G144 PolarHBondContact O-N 2.69Å; L142-F396 HydrophobicContact CB-CZ 4.38Å; L142-F396 HydrophobicContact CD1-CD1 4.41Å; L142-F396 HydrophobicContact CD1-CD2 4.34Å; L142-F396 HydrophobicContact CD1-CE1 3.57Å; L142-F396 HydrophobicContact CD1-CE2 3.42Å; L142-F396 VanDerWaalsContact CD1-CE2 3.42Å; L142-F396 HydrophobicContact CD1-CZ 3.04Å; L142-F396 HydrophobicContact CD2-CE2 4.49Å; L142-F396 HydrophobicContact CD2-CZ 4.48Å; L142-F396 HydrophobicContact CG-CE1 4.26Å; L142-F396 HydrophobicContact CG-CE2 3.83Å; L142-F396 HydrophobicContact CG-CZ 3.39Å; L142-F396 WeakPolarHBondContact O-CZ 3.21Å; L142-F401 HydrophobicContact CB-CE2 3.83Å; L142-F401 HydrophobicContact CB-CZ 3.64Å; L142-F401 HydrophobicContact CD1-CD1 3.7Å; L142-F401 HydrophobicContact CD1-CD2 3.83Å; L142-F401 HydrophobicContact CD1-CE1 3.33Å; L142-F401 HydrophobicContact CD1-CE2 3.52Å; L142-F401 HydrophobicContact CD1-CG 3.95Å; L142-F401 HydrophobicContact CD1-CZ 3.24Å; L142-F401 HydrophobicContact CG-CE1 4.48Å; L142-F401 HydrophobicContact CG-CE2 4.25Å; L142-F401 HydrophobicContact CG-CZ 4.03Å; L142-Y460 HydrophobicContact CB-CE2 4.16Å; L142-Y460 HydrophobicContact CD2-CD2 4.06Å; L142-Y460 HydrophobicContact CD2-CE2 3.67Å; L142-Y460 HydrophobicContact CG-CD2 3.85Å; L142-Y460 HydrophobicContact CG-CE2 3.54Å; L142-K463 HydrophobicContact CD1-CB 4Å; L142-K463 HydrophobicContact CD2-CB 4.38Å; L142-Y464 VanDerWaalsContact CD2-CA 3.42Å; L142-Y464 HydrophobicContact CD2-CD2 4.2Å; L142-Y464 HydrophobicContact CD2-CG 4.43Å
143S76.5Confident75.1Confident58 Ų5866.7 Ų66.741%0.40635%0.353SS..THydrogen-bonded Turntrans-71.6-7.1175.576.70000114.8L139 E140 Y141 I146L139-S143 PolarHBondContact O-N 3.17Å; L139-S143 VanDerWaalsContact O-N 3.1Å; E140-S143 PolarHBondContact O-N 3.21Å; E140-S143 VanDerWaalsContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.49Å; Y141-S143 PolarHBondContact O-N 3.09Å; S143-I146 WeakPolarHBondContact O-CD1 3.49Å; S143-I146 WeakPolarHBondContact O-CG1 3.37Å
144G72.2Confident74.8Confident60 Ų6065.5 Ų65.562%0.61935%0.352SS*.THydrogen-bonded Turntrans-92.4-29.7178.200000114.5E140 Y141 L142 I146E140-G144 PolarHBondContact O-N 3.04Å; Y141-G144 PolarHBondContact O-N 2.93Å; L142-G144 PolarHBondContact O-N 2.69Å; G144-I146 PolarHBondContact O-N 3.08Å; G144-I146 VanDerWaalsContact O-N 3.14Å
145I68.6Low74.5Confident60 Ų6069.2 Ų69.231%0.30837%0.369SS..SBendtrans-91.733.7-171.7-41.4178.1000112.3Y141 T147 F396 F401Y141-I145 HydrophobicContact CD1-CD1 3.8Å; Y141-I145 HydrophobicContact CD1-CG1 4.45Å; Y141-I145 HydrophobicContact CD2-CD1 4.48Å; Y141-I145 HydrophobicContact CD2-CG1 4.4Å; Y141-I145 HydrophobicContact CE1-CD1 3.16Å; Y141-I145 HydrophobicContact CE1-CG1 4.06Å; Y141-I145 HydrophobicContact CE2-CD1 3.91Å; Y141-I145 HydrophobicContact CE2-CG1 3.96Å; Y141-I145 HydrophobicContact CG-CD1 4.45Å; Y141-I145 PolarHBondContact O-N 2.84Å; Y141-I145 WeakPolarHBondContact OH-CD1 3.48Å; I145-T147 PolarHBondContact O-N 3.03Å; I145-F396 HydrophobicContact CB-CE1 4.33Å; I145-F401 HydrophobicContact CD1-CD2 3.51Å; I145-F401 HydrophobicContact CD1-CE2 4.01Å; I145-F401 HydrophobicContact CG1-CD2 4.46Å
146I66.3Low74.3Confident67 Ų6769.1 Ų69.134%0.34437%0.368SS..  trans-73.8127.8-172.1-73.2178.5000110.4S143 G144 L394S143-I146 WeakPolarHBondContact O-CD1 3.49Å; S143-I146 WeakPolarHBondContact O-CG1 3.37Å; G144-I146 PolarHBondContact O-N 3.08Å; G144-I146 VanDerWaalsContact O-N 3.14Å; I146-L394 HydrophobicContact CB-CB 4.02Å; I146-L394 HydrophobicContact CB-CD1 4.3Å; I146-L394 HydrophobicContact CB-CD2 3.71Å; I146-L394 HydrophobicContact CB-CG 4.07Å; I146-L394 HydrophobicContact CD1-CD1 3.16Å; I146-L394 HydrophobicContact CD1-CD2 3.55Å; I146-L394 HydrophobicContact CD1-CG 3.81Å; I146-L394 HydrophobicContact CG1-CB 3.78Å; I146-L394 HydrophobicContact CG1-CD1 3.23Å; I146-L394 HydrophobicContact CG1-CD2 3.53Å; I146-L394 HydrophobicContact CG1-CG 3.52Å; I146-L394 HydrophobicContact CG2-CB 3.94Å; I146-L394 HydrophobicContact CG2-CD2 3.04Å; I146-L394 HydrophobicContact CG2-CG 3.88Å
147T63.4Low74.2Confident58 Ų5863.2 Ų63.236%0.35634%0.341SS..  trans-128127.316455.10000111.6I145 Y149 L394 L395I145-T147 PolarHBondContact O-N 3.03Å; T147-Y149 HydrophobicContact CG2-CE2 4.44Å; T147-Y149 WeakPolarHBondContact OG1-CE2 3.34Å; T147-L394 WeakPolarHBondContact O-CA 3.33Å; T147-L395 PolarHBondContact O-N 3.5Å; T147-L395 PolarHBondContact OG1-O 3.29Å
148L59.2Low74.5Confident137 Ų13763.9 Ų63.972%0.71734%0.342SS*.  trans-87.1115.9176.2-68.2169.3000109.2
149Y58Low74.6Confident123 Ų12364.3 Ų64.348%0.48234%0.344SS..  trans-125106.1174.9-81.5-82.4000110.3T147 K151 L395T147-Y149 HydrophobicContact CG2-CE2 4.44Å; T147-Y149 WeakPolarHBondContact OG1-CE2 3.34Å; Y149-K151 VanDerWaalsContact C-N 3.35Å; Y149-K151 PolarHBondContact O-N 3.22Å; Y149-L395 HydrophobicContact CD2-CD1 4.04Å; Y149-L395 HydrophobicContact CD2-CG 4.5Å; Y149-L395 HydrophobicContact CG-CD1 4.09Å
150S55.8Low74.6Confident115 Ų11563.2 Ų63.280%0.80434%0.339SS*.THydrogen-bonded Turntrans-75.7-18.6-17756.10000114.6
151K59.3Low75Confident196 Ų19656.8 Ų56.885%0.85231%0.309SS*.THydrogen-bonded Turntrans-97-5.2-175-66.3-174.4178.3-178.80114.4Y149Y149-K151 VanDerWaalsContact C-N 3.35Å; Y149-K151 PolarHBondContact O-N 3.22Å
152A68.8Low75.5Confident3 Ų354.8 Ų54.83%0.02530%0.303CS..  trans-97.712.8-166.200000114.3A154 E155 V156 L395 Y457A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.45Å; A152-E155 HydrophobicContact CB-CB 4.34Å; A152-E155 WeakPolarHBondContact CB-OE2 3.39Å; A152-E155 WeakPolarHBondContact O-CA 3.28Å; A152-E155 WeakPolarHBondContact O-CB 3.38Å; A152-E155 PolarHBondContact O-N 3.01Å; A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.3Å; A152-L395 HydrophobicContact CB-CD1 3.55Å; A152-Y457 HydrophobicContact CB-CE2 4.49Å
153V79.2Confident76Confident35 Ų3557.2 Ų57.221%0.21232%0.318CS..Hα-helixtrans-56-45.4-175.3169.60000112.3E155 V156 I157 T177 F387 L390V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.33Å; V153-V156 PolarHBondContact O-N 3.23Å; V153-I157 HydrophobicContact CG1-CD1 3.89Å; V153-I157 WeakPolarHBondContact O-CG1 3.4Å; V153-I157 PolarHBondContact O-N 3.36Å; V153-I157 VanDerWaalsContact O-N 3.11Å; V153-T177 HydrophobicContact CG1-CG2 4.23Å; V153-F387 HydrophobicContact CG1-CD2 3.78Å; V153-F387 HydrophobicContact CG1-CE2 3.74Å; V153-L390 HydrophobicContact CB-CD1 4.17Å; V153-L390 HydrophobicContact CG1-CD1 3.66Å; V153-L390 HydrophobicContact CG2-CB 4.32Å; V153-L390 HydrophobicContact CG2-CD1 4.24Å
154A83.2Confident76.4Confident41 Ų4155.3 Ų55.334%0.33930%0.302SS..Hα-helixtrans-65.1-33.617700000112.2A152 R158 T177A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.45Å; A154-R158 WeakPolarHBondContact O-CB 3.28Å; A154-R158 PolarHBondContact O-N 2.78Å; A154-T177 HydrophobicContact CB-CG2 4.43Å
155E83.3Confident77.1Confident77 Ų7753.8 Ų53.836%0.3628%0.279SS..Hα-helixtrans-70.6-37-179.7-67.6175.1168.600112.1A152 V153 R158 S159 G455 Y457A152-E155 HydrophobicContact CB-CB 4.34Å; A152-E155 WeakPolarHBondContact CB-OE2 3.39Å; A152-E155 WeakPolarHBondContact O-CA 3.28Å; A152-E155 WeakPolarHBondContact O-CB 3.38Å; A152-E155 PolarHBondContact O-N 3.01Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.33Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.39Å; E155-S159 PolarHBondContact O-N 3.06Å; E155-G455 WeakPolarHBondContact CB-O 3.38Å; E155-Y457 HydrophobicContact CB-CD2 4.18Å; E155-Y457 HydrophobicContact CB-CE2 4.49Å; E155-Y457 WeakPolarHBondContact OE2-CE2 3.41Å
156V82.9Confident77.8Confident1 Ų158.4 Ų58.41%0.00629%0.294CS..Hα-helixtrans-73-40.2174.6-170.70000112A152 V153 R158 S159 S160 L390 L395 P459A152-V156 WeakPolarHBondContact O-CG2 3.48Å; A152-V156 PolarHBondContact O-N 3.3Å; V153-V156 PolarHBondContact O-N 3.23Å; V156-R158 VanDerWaalsContact C-N 3.25Å; V156-R158 PolarHBondContact O-N 3.36Å; V156-S159 PolarHBondContact O-N 3.28Å; V156-S159 PolarHBondContact O-OG 3.07Å; V156-S160 PolarHBondContact O-N 3.02Å; V156-S160 PolarHBondContact O-OG 2.83Å; V156-L390 HydrophobicContact CB-CD1 4.42Å; V156-L390 HydrophobicContact CB-CD2 3.69Å; V156-L390 HydrophobicContact CG1-CD2 3.57Å; V156-L390 HydrophobicContact CG2-CD2 3.78Å; V156-L395 HydrophobicContact CG2-CD1 4.25Å; V156-L395 HydrophobicContact CG2-CD2 3.23Å; V156-L395 HydrophobicContact CG2-CG 4.4Å; V156-P459 HydrophobicContact CG1-CG 4.02Å
157I87.9Confident78.7Confident0 Ų058.5 Ų58.50%031%0.311CS..Hα-helixtrans-63.6-41.1174.1-68.2166.8000109.3V153 S159 S160 I161 A173 V176 T177 F387 L390V153-I157 HydrophobicContact CG1-CD1 3.89Å; V153-I157 WeakPolarHBondContact O-CG1 3.4Å; V153-I157 PolarHBondContact O-N 3.36Å; V153-I157 VanDerWaalsContact O-N 3.11Å; I157-S159 PolarHBondContact O-N 3.24Å; I157-S160 PolarHBondContact O-N 3.44Å; I157-S160 PolarHBondContact O-OG 3.44Å; I157-I161 HydrophobicContact CG2-CD1 3.59Å; I157-I161 HydrophobicContact CG2-CG1 4.34Å; I157-I161 VanDerWaalsContact O-CG1 3.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.21Å; I157-I161 PolarHBondContact O-N 3.28Å; I157-A173 HydrophobicContact CG2-CB 4.18Å; I157-V176 HydrophobicContact CD1-CG1 4.3Å; I157-V176 HydrophobicContact CG2-CB 3.99Å; I157-V176 HydrophobicContact CG2-CG1 3.85Å; I157-T177 WeakPolarHBondContact CD1-OG1 3.35Å; I157-F387 HydrophobicContact CD1-CD2 4.06Å; I157-L390 HydrophobicContact CD1-CD1 4.44Å; I157-L390 HydrophobicContact CG1-CD1 4.26Å
158R89.4Confident79.9Confident79 Ų7957.8 Ų57.830%0.29831%0.305SS..Hα-helixtrans-58.5-46.2175.7-179.4-168.9-174.9-136.63.3112.2A154 E155 V156 S160 I161 L162 D170 A173 L454A154-R158 WeakPolarHBondContact O-CB 3.28Å; A154-R158 PolarHBondContact O-N 2.78Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.39Å; V156-R158 VanDerWaalsContact C-N 3.25Å; V156-R158 PolarHBondContact O-N 3.36Å; R158-S160 PolarHBondContact O-N 3.01Å; R158-I161 PolarHBondContact O-N 3Å; R158-L162 WeakPolarHBondContact O-CB 3.35Å; R158-L162 PolarHBondContact O-N 3.47Å; R158-D170 IonicContact CZ-OD1 3.46Å; R158-D170 IonicContact NE-OD1 3.56Å; R158-D170 PolarHBondContact NE-OD1 3.46Å; R158-D170 IonicContact NH2-OD1 2.72Å; R158-D170 PolarHBondContact NH2-OD1 3.46Å; R158-D170 VanDerWaalsContact NH2-OD1 3.14Å; R158-D170 IonicContact NH2-OD2 2.66Å; R158-A173 HydrophobicContact CB-CB 3.78Å; R158-A173 HydrophobicContact CG-CB 4.46Å; R158-L454 PolarHBondContact NH1-O 3.36Å
159S85.9Confident81.3Confident8 Ų851.4 Ų51.46%0.05627%0.272CS..Hα-helixtrans-62.7-41.3-179.260.40000112.6E155 V156 I157 L162 Y457E155-S159 PolarHBondContact O-N 3.06Å; V156-S159 PolarHBondContact O-N 3.28Å; V156-S159 PolarHBondContact O-OG 3.07Å; I157-S159 PolarHBondContact O-N 3.24Å; S159-L162 PolarHBondContact O-N 3.38Å; S159-Y457 VanDerWaalsContact CB-O 3.31Å; S159-Y457 WeakPolarHBondContact CB-O 3.48Å; S159-Y457 PolarHBondContact OG-O 3.32Å
160S87.3Confident82.9Confident3 Ų349.6 Ų49.62%0.02127%0.27CS..Hα-helixtrans-64.4-47.117657.30000112.1V156 I157 R158 L162 T163 N386V156-S160 PolarHBondContact O-N 3.02Å; V156-S160 PolarHBondContact O-OG 2.83Å; I157-S160 PolarHBondContact O-N 3.44Å; I157-S160 PolarHBondContact O-OG 3.44Å; R158-S160 PolarHBondContact O-N 3.01Å; S160-L162 VanDerWaalsContact C-N 3.33Å; S160-L162 PolarHBondContact O-N 3Å; S160-T163 PolarHBondContact O-N 2.71Å; S160-T163 PolarHBondContact O-OG1 3.04Å; S160-N386 WeakPolarHBondContact CB-ND2 3.47Å; S160-N386 PolarHBondContact OG-ND2 2.8Å
161I91.1Very high84.6Confident0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-64.5-37.1177.8-64.2171.4000111.5I157 R158 T163 K164 Q165 A169 L172 A173 V176 A379I157-I161 HydrophobicContact CG2-CD1 3.59Å; I157-I161 HydrophobicContact CG2-CG1 4.34Å; I157-I161 VanDerWaalsContact O-CG1 3.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.21Å; I157-I161 PolarHBondContact O-N 3.28Å; R158-I161 PolarHBondContact O-N 3Å; I161-T163 PolarHBondContact O-N 2.85Å; I161-T163 VanDerWaalsContact O-N 3.15Å; I161-K164 PolarHBondContact O-N 3.32Å; I161-Q165 HydrophobicContact CG2-CB 4.25Å; I161-Q165 PolarHBondContact O-N 3.24Å; I161-A169 HydrophobicContact CG2-CB 4.18Å; I161-L172 HydrophobicContact CD1-CB 4.06Å; I161-L172 HydrophobicContact CG2-CB 4.05Å; I161-L172 HydrophobicContact CG2-CD1 4.06Å; I161-A173 HydrophobicContact CD1-CB 4.23Å; I161-V176 HydrophobicContact CD1-CG2 4.24Å; I161-A379 HydrophobicContact CG2-CB 4.37Å
162L89.9Confident86.3Confident29 Ų2938 Ų3815%0.15221%0.205CC..Hα-helixtrans-57.3-32.1-178.1-172.672.9000112.3P48 R158 S159 S160 K164 Y166 A169P48-L162 HydrophobicContact CB-CD2 4.48Å; P48-L162 HydrophobicContact CB-CG 4.17Å; R158-L162 WeakPolarHBondContact O-CB 3.35Å; R158-L162 PolarHBondContact O-N 3.47Å; S159-L162 PolarHBondContact O-N 3.38Å; S160-L162 VanDerWaalsContact C-N 3.33Å; S160-L162 PolarHBondContact O-N 3Å; L162-K164 VanDerWaalsContact C-N 3.28Å; L162-K164 PolarHBondContact O-N 3.23Å; L162-Y166 HydrophobicContact CD1-CD2 3.72Å; L162-Y166 HydrophobicContact CD1-CE2 4.12Å; L162-Y166 HydrophobicContact CG-CD2 4.22Å; L162-A169 HydrophobicContact CB-CB 4.21Å; L162-A169 HydrophobicContact CD1-CB 3.82Å
163T88Confident87.4Confident51 Ų5138 Ų3831%0.31321%0.206SC..THydrogen-bonded Turntrans-70.1-23.3178.267.10000113.6N66 S160 I161N66-T163 PolarHBondContact ND2-O 2.88Å; S160-T163 PolarHBondContact O-N 2.71Å; S160-T163 PolarHBondContact O-OG1 3.04Å; I161-T163 PolarHBondContact O-N 2.85Å; I161-T163 VanDerWaalsContact O-N 3.15Å
164K85.7Confident88Confident18 Ų1842.7 Ų42.78%0.07823%0.225CC..THydrogen-bonded Turntrans-102.1-44.2179.7-63.6-173.3175.5-1720112.6N66 I161 L162 A379 D382N66-K164 WeakPolarHBondContact ND2-CA 3.25Å; I161-K164 PolarHBondContact O-N 3.32Å; L162-K164 VanDerWaalsContact C-N 3.28Å; L162-K164 PolarHBondContact O-N 3.23Å; K164-A379 HydrophobicContact CB-CB 3.78Å; K164-A379 HydrophobicContact CD-CB 4.11Å; K164-D382 WeakPolarHBondContact CE-OD2 3.35Å; K164-D382 IonicContact NZ-OD1 2.72Å; K164-D382 PolarHBondContact NZ-OD1 2.8Å; K164-D382 IonicContact NZ-OD2 3.49Å; K164-D382 PolarHBondContact NZ-OD2 2.92Å
165Q85.5Confident88.5Confident28 Ų2841.8 Ų41.813%0.13122%0.215CC..  trans-128.778.4-172.8-72-68.1-33.400110.4I161 G167 A169 L172 D375 T376 A379I161-Q165 HydrophobicContact CG2-CB 4.25Å; I161-Q165 PolarHBondContact O-N 3.24Å; Q165-G167 PolarHBondContact O-N 3.03Å; Q165-A169 WeakPolarHBondContact O-CB 3.23Å; Q165-A169 PolarHBondContact O-N 3Å; Q165-L172 HydrophobicContact CB-CD1 4.17Å; Q165-L172 HydrophobicContact CG-CD1 4.4Å; Q165-D375 PolarHBondContact NE2-OD2 3.39Å; Q165-T376 HydrophobicContact CG-CG2 4.15Å; Q165-A379 HydrophobicContact CB-CB 4.49Å; Q165-A379 HydrophobicContact CG-CB 3.88Å
166Y83.8Confident88.9Confident158 Ų15838.1 Ų38.162%0.6220%0.198SC*.THydrogen-bonded Turntrans-56.1-45.3-176.1-175.3-105.9000113.5P48 L162P48-Y166 HydrophobicContact CB-CD2 3.77Å; P48-Y166 HydrophobicContact CB-CE2 4.18Å; L162-Y166 HydrophobicContact CD1-CD2 3.72Å; L162-Y166 HydrophobicContact CD1-CE2 4.12Å; L162-Y166 HydrophobicContact CG-CD2 4.22Å
167G85.7Confident89.3Confident68 Ų6838.6 Ų38.670%0.70120%0.2SC*.THydrogen-bonded Turntrans-76.8-24.9-172.400000115.9Q165Q165-G167 PolarHBondContact O-N 3.03Å
168N88Confident89.4Confident44 Ų4440.3 Ų40.324%0.23521%0.213CC..THydrogen-bonded Turntrans-117.112.4-173.4-64.6-49.8000113.2D170 F171 L172 V206N168-D170 PolarHBondContact O-N 3.18Å; N168-F171 PolarHBondContact O-N 3.38Å; N168-L172 HydrophobicContact CB-CD1 4.19Å; N168-L172 HydrophobicContact CB-CG 4.39Å; N168-L172 WeakPolarHBondContact O-CG 3.3Å; N168-L172 PolarHBondContact O-N 3.3Å; N168-V206 HydrophobicContact CB-CG1 4.38Å
169A88.3Confident89.5Confident2 Ų236.6 Ų36.62%0.01720%0.199CC..Hα-helixtrans-59-44.2-17100000113.1I161 L162 Q165 F171 L172 A173I161-A169 HydrophobicContact CG2-CB 4.18Å; L162-A169 HydrophobicContact CB-CB 4.21Å; L162-A169 HydrophobicContact CD1-CB 3.82Å; Q165-A169 WeakPolarHBondContact O-CB 3.23Å; Q165-A169 PolarHBondContact O-N 3Å; A169-F171 PolarHBondContact O-N 3.3Å; A169-L172 PolarHBondContact O-N 2.92Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 2.86Å
170D91.3Very high89.6Confident86 Ų8636.2 Ų36.246%0.4620%0.196SC..Hα-helixtrans-63.5-44.1-176.3-64.4-12.5000111.9R158 N168 Q174R158-D170 IonicContact CZ-OD1 3.46Å; R158-D170 IonicContact NE-OD1 3.56Å; R158-D170 PolarHBondContact NE-OD1 3.46Å; R158-D170 IonicContact NH2-OD1 2.72Å; R158-D170 PolarHBondContact NH2-OD1 3.46Å; R158-D170 VanDerWaalsContact NH2-OD1 3.14Å; R158-D170 IonicContact NH2-OD2 2.66Å; N168-D170 PolarHBondContact O-N 3.18Å; D170-Q174 WeakPolarHBondContact O-CG 3.25Å; D170-Q174 PolarHBondContact O-N 2.74Å
171F93Very high89.5Confident63 Ų6342 Ų4228%0.27622%0.223SC..Hα-helixtrans-65.9-48.8178.3174.8-104.7000111.6N168 A169 A173 Q174 L175 V206 T207 S209N168-F171 PolarHBondContact O-N 3.38Å; A169-F171 PolarHBondContact O-N 3.3Å; F171-A173 VanDerWaalsContact C-N 3.33Å; F171-A173 PolarHBondContact O-N 2.71Å; F171-Q174 PolarHBondContact O-N 2.91Å; F171-L175 HydrophobicContact CD1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CD1 3.3Å; F171-L175 HydrophobicContact CE1-CG 4.25Å; F171-L175 HydrophobicContact CE2-CD1 4.23Å; F171-L175 HydrophobicContact CE2-CG 4.42Å; F171-L175 HydrophobicContact CZ-CD1 3.51Å; F171-L175 HydrophobicContact CZ-CG 4.15Å; F171-L175 PolarHBondContact O-N 3.06Å; F171-L175 VanDerWaalsContact O-N 3.08Å; F171-V206 WeakPolarHBondContact CE1-O 3.42Å; F171-T207 WeakPolarHBondContact CZ-O 3.49Å; F171-S209 WeakPolarHBondContact CZ-O 3.37Å
172L93.4Very high89.2Confident3 Ų346.1 Ų46.12%0.01624%0.243CC..Hα-helixtrans-64.3-38.5179-69.1175.4000111.6I161 Q165 N168 A169 Q174 L175 V176 V206 V380I161-L172 HydrophobicContact CD1-CB 4.06Å; I161-L172 HydrophobicContact CG2-CB 4.05Å; I161-L172 HydrophobicContact CG2-CD1 4.06Å; Q165-L172 HydrophobicContact CB-CD1 4.17Å; Q165-L172 HydrophobicContact CG-CD1 4.4Å; N168-L172 HydrophobicContact CB-CD1 4.19Å; N168-L172 HydrophobicContact CB-CG 4.39Å; N168-L172 WeakPolarHBondContact O-CG 3.3Å; N168-L172 PolarHBondContact O-N 3.3Å; A169-L172 PolarHBondContact O-N 2.92Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.4Å; L172-L175 PolarHBondContact O-N 3.43Å; L172-V176 WeakPolarHBondContact O-CB 3.32Å; L172-V176 VanDerWaalsContact O-CG2 3.31Å; L172-V176 WeakPolarHBondContact O-CG2 3.25Å; L172-V176 PolarHBondContact O-N 3.32Å; L172-V206 HydrophobicContact CD1-CG1 4.35Å; L172-V206 HydrophobicContact CD2-CG1 4.08Å; L172-V206 HydrophobicContact CG-CG1 4.47Å; L172-V380 HydrophobicContact CD2-CG2 4.24Å
173A92Very high89Confident4 Ų444.9 Ų44.93%0.03324%0.237CC..Hα-helixtrans-62.9-40.4177.700000112.2I157 R158 I161 A169 F171 T177I157-A173 HydrophobicContact CG2-CB 4.18Å; R158-A173 HydrophobicContact CB-CB 3.78Å; R158-A173 HydrophobicContact CG-CB 4.46Å; I161-A173 HydrophobicContact CD1-CB 4.23Å; A169-A173 WeakPolarHBondContact O-CB 3.15Å; A169-A173 PolarHBondContact O-N 2.86Å; F171-A173 VanDerWaalsContact C-N 3.33Å; F171-A173 PolarHBondContact O-N 2.71Å; A173-T177 VanDerWaalsContact O-CB 3.23Å; A173-T177 WeakPolarHBondContact O-CB 3.16Å; A173-T177 PolarHBondContact O-N 3.04Å; A173-T177 PolarHBondContact O-OG1 2.71Å
174Q92.4Very high88.8Confident133 Ų13345.2 Ų45.262%0.62124%0.236SC*.Hα-helixtrans-66.1-42.3174.9-70.7175.510.700112D170 F171 L172 T177 S178D170-Q174 WeakPolarHBondContact O-CG 3.25Å; D170-Q174 PolarHBondContact O-N 2.74Å; F171-Q174 PolarHBondContact O-N 2.91Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.4Å; Q174-T177 PolarHBondContact O-N 3Å; Q174-S178 WeakPolarHBondContact O-CB 3.25Å; Q174-S178 PolarHBondContact O-N 2.86Å; Q174-S178 PolarHBondContact O-OG 3.17Å
175L93.3Very high88.5Confident22 Ų2245.9 Ų45.912%0.11524%0.242CC..Hα-helixtrans-62-47.3175.7-74.7178.8000112.3F171 L172 S178 A179 L211F171-L175 HydrophobicContact CD1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CD1 3.3Å; F171-L175 HydrophobicContact CE1-CG 4.25Å; F171-L175 HydrophobicContact CE2-CD1 4.23Å; F171-L175 HydrophobicContact CE2-CG 4.42Å; F171-L175 HydrophobicContact CZ-CD1 3.51Å; F171-L175 HydrophobicContact CZ-CG 4.15Å; F171-L175 PolarHBondContact O-N 3.06Å; F171-L175 VanDerWaalsContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 3.43Å; L175-S178 WeakPolarHBondContact CA-OG 3.4Å; L175-S178 PolarHBondContact O-N 3.39Å; L175-S178 PolarHBondContact O-OG 3.36Å; L175-A179 WeakPolarHBondContact O-CB 3.3Å; L175-A179 PolarHBondContact O-N 2.98Å; L175-L211 HydrophobicContact CD2-CB 4.14Å
176V93Very high88Confident0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-65.1-44178.71730000110.8I157 I161 L172 S178 A179 C180 I363 V380 I384I157-V176 HydrophobicContact CD1-CG1 4.3Å; I157-V176 HydrophobicContact CG2-CB 3.99Å; I157-V176 HydrophobicContact CG2-CG1 3.85Å; I161-V176 HydrophobicContact CD1-CG2 4.24Å; L172-V176 WeakPolarHBondContact O-CB 3.32Å; L172-V176 VanDerWaalsContact O-CG2 3.31Å; L172-V176 WeakPolarHBondContact O-CG2 3.25Å; L172-V176 PolarHBondContact O-N 3.32Å; V176-S178 PolarHBondContact O-N 3.41Å; V176-A179 PolarHBondContact O-N 2.68Å; V176-C180 WeakPolarHBondContact O-CB 3.05Å; V176-C180 PolarHBondContact O-N 2.98Å; V176-C180 PolarHBondContact O-SG 3.18Å; V176-I363 HydrophobicContact CG2-CD1 4.21Å; V176-V380 HydrophobicContact CG2-CB 4.34Å; V176-V380 HydrophobicContact CG2-CG1 3.96Å; V176-V380 HydrophobicContact CG2-CG2 4.18Å; V176-I384 HydrophobicContact CG1-CG1 3.83Å
177T90.6Very high87.5Confident11 Ų1152 Ų527%0.06728%0.277CS..Hα-helixtrans-60.8-45178.7-59.30000111.4V153 A154 I157 A173 Q174 C180 Q181V153-T177 HydrophobicContact CG1-CG2 4.23Å; A154-T177 HydrophobicContact CB-CG2 4.43Å; I157-T177 WeakPolarHBondContact CD1-OG1 3.35Å; A173-T177 VanDerWaalsContact O-CB 3.23Å; A173-T177 WeakPolarHBondContact O-CB 3.16Å; A173-T177 PolarHBondContact O-N 3.04Å; A173-T177 PolarHBondContact O-OG1 2.71Å; Q174-T177 PolarHBondContact O-N 3Å; T177-C180 PolarHBondContact O-N 3.43Å; T177-Q181 WeakPolarHBondContact O-CB 3.45Å; T177-Q181 VanDerWaalsContact O-CG 3.26Å; T177-Q181 WeakPolarHBondContact O-CG 3.25Å; T177-Q181 PolarHBondContact O-N 3.12Å
178S90.3Very high86.7Confident37 Ų3751.4 Ų51.426%0.25926%0.26SS..Hα-helixtrans-66.1-39177.749.80000112.1Q174 L175 V176 Q181 M182 L211Q174-S178 WeakPolarHBondContact O-CB 3.25Å; Q174-S178 PolarHBondContact O-N 2.86Å; Q174-S178 PolarHBondContact O-OG 3.17Å; L175-S178 WeakPolarHBondContact CA-OG 3.4Å; L175-S178 PolarHBondContact O-N 3.39Å; L175-S178 PolarHBondContact O-OG 3.36Å; V176-S178 PolarHBondContact O-N 3.41Å; S178-Q181 PolarHBondContact O-N 2.86Å; S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 3.16Å; S178-M182 VanDerWaalsContact O-N 3.1Å; S178-L211 VanDerWaalsContact OG-CD2 3.27Å; S178-L211 WeakPolarHBondContact OG-CD2 3.42Å
179A90.7Very high85.8Confident0 Ų055.6 Ų55.60%028%0.28CS..Hα-helixtrans-60.7-47.4174.200000112.1L175 V176 Q181 M182 V183 V196 L211 A361 I363L175-A179 WeakPolarHBondContact O-CB 3.3Å; L175-A179 PolarHBondContact O-N 2.98Å; V176-A179 PolarHBondContact O-N 2.68Å; A179-Q181 VanDerWaalsContact C-N 3.32Å; A179-Q181 PolarHBondContact O-N 3.5Å; A179-M182 PolarHBondContact O-N 3.11Å; A179-V183 PolarHBondContact O-N 3.39Å; A179-V196 HydrophobicContact CB-CG1 4.02Å; A179-L211 HydrophobicContact CB-CD1 3.51Å; A179-L211 HydrophobicContact CB-CD2 4.23Å; A179-A361 HydrophobicContact CB-CB 4.43Å; A179-I363 HydrophobicContact CB-CD1 3.87Å; A179-I363 HydrophobicContact CB-CG1 4.01Å
180C88.1Confident85.2Confident0 Ų060.9 Ų60.90%031%0.308CS..Hα-helixtrans-65.6-34.5179.3-69.40000112.5V176 T177 L184 F191 F387V176-C180 WeakPolarHBondContact O-CB 3.05Å; V176-C180 PolarHBondContact O-N 2.98Å; V176-C180 PolarHBondContact O-SG 3.18Å; T177-C180 PolarHBondContact O-N 3.43Å; C180-L184 PolarHBondContact O-N 3.07Å; C180-F191 HydrophobicContact CB-CE2 4.49Å; C180-F191 HydrophobicContact CB-CZ 4.38Å; C180-F387 HydrophobicContact CB-CB 4.44Å; C180-F387 HydrophobicContact CB-CD1 3.71Å; C180-F387 HydrophobicContact CB-CD2 3.59Å; C180-F387 HydrophobicContact CB-CE1 3.68Å; C180-F387 HydrophobicContact CB-CE2 3.54Å; C180-F387 HydrophobicContact CB-CG 3.65Å; C180-F387 HydrophobicContact CB-CZ 3.59Å
181Q85.4Confident84.8Confident126 Ų12657.8 Ų57.859%0.58929%0.291SS*.Hα-helixtrans-66.7-39174.6-75.71751.800112.5T177 S178 A179 V183 L184T177-Q181 WeakPolarHBondContact O-CB 3.45Å; T177-Q181 VanDerWaalsContact O-CG 3.26Å; T177-Q181 WeakPolarHBondContact O-CG 3.25Å; T177-Q181 PolarHBondContact O-N 3.12Å; S178-Q181 PolarHBondContact O-N 2.86Å; A179-Q181 VanDerWaalsContact C-N 3.32Å; A179-Q181 PolarHBondContact O-N 3.5Å; Q181-V183 VanDerWaalsContact C-N 3.34Å; Q181-L184 PolarHBondContact O-N 3.31Å
182M85.5Confident84.4Confident85 Ų8557.2 Ų57.242%0.41929%0.29SS..Hα-helixtrans-64.1-38.9176.9-70.6179.7-175.800112.4S178 A179 L184 L211 N213S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 3.16Å; S178-M182 VanDerWaalsContact O-N 3.1Å; A179-M182 PolarHBondContact O-N 3.11Å; M182-L184 VanDerWaalsContact C-N 3.33Å; M182-L211 HydrophobicContact CE-CD2 3.57Å; M182-L211 HydrophobicContact CE-CG 4.26Å; M182-L211 HydrophobicContact SD-CD2 3.75Å; M182-L211 HydrophobicContact SD-CG 4.17Å; M182-N213 HydrophobicContact SD-CB 4.05Å
183V85.8Confident84Confident3 Ų359.3 Ų59.32%0.01830%0.303CS..Hα-helixtrans-79.1-16.7-176.9167.60000113A179 Q181 P185 F191 H195 V196 A361A179-V183 PolarHBondContact O-N 3.39Å; Q181-V183 VanDerWaalsContact C-N 3.34Å; V183-P185 WeakPolarHBondContact O-CD 3.44Å; V183-P185 VanDerWaalsContact O-N 3.14Å; V183-F191 HydrophobicContact CB-CE2 4.15Å; V183-F191 HydrophobicContact CG1-CD2 4.17Å; V183-F191 HydrophobicContact CG1-CE2 3.7Å; V183-F191 HydrophobicContact CG1-CZ 4.5Å; V183-H195 HydrophobicContact CG1-CB 3.38Å; V183-H195 HydrophobicContact CG2-CB 4.36Å; V183-V196 HydrophobicContact CB-CG2 4.37Å; V183-V196 HydrophobicContact CG2-CG2 3.96Å; V183-A361 HydrophobicContact CG2-CB 3.7Å
184L83Confident83.7Confident59 Ų5963.2 Ų63.231%0.30932%0.324SS..  trans-60115.6-168.2-169.4100.4000112.7C180 Q181 M182 F387 K391C180-L184 PolarHBondContact O-N 3.07Å; Q181-L184 PolarHBondContact O-N 3.31Å; M182-L184 VanDerWaalsContact C-N 3.33Å; L184-F387 HydrophobicContact CD1-CE1 3.77Å; L184-F387 HydrophobicContact CD1-CZ 3.88Å; L184-K391 HydrophobicContact CD1-CD 4.4Å
185P79.1Confident83.6Confident31 Ų3158.2 Ų58.220%0.20130%0.3CS..  trans-70.2160.4171.526.2-29.8000111.6V183 N187 N190V183-P185 WeakPolarHBondContact O-CD 3.44Å; V183-P185 VanDerWaalsContact O-N 3.14Å; P185-N187 WeakPolarHBondContact CG-O 3.28Å; P185-N187 PolarHBondContact O-N 3.48Å; P185-N187 VanDerWaalsContact O-N 3.17Å; P185-N190 HydrophobicContact CG-CB 4.27Å
186K75Confident83.5Confident209 Ų20957.8 Ų57.891%0.90930%0.298SS*.SBendtrans-51.4-39.9173.9-67.9-176.9179.8178.40111.9P188K186-P188 WeakPolarHBondContact O-CD 3.24Å
187N73.5Confident83.4Confident106 Ų10660 Ų6057%0.56731%0.307SS*.SBendtrans-95.3106.9173.8-70.7-5.6000109.7P185 M189 N190P185-N187 WeakPolarHBondContact CG-O 3.28Å; P185-N187 PolarHBondContact O-N 3.48Å; P185-N187 VanDerWaalsContact O-N 3.17Å; N187-M189 PolarHBondContact O-N 3.33Å; N187-N190 PolarHBondContact O-N 3.04Å; N187-N190 VanDerWaalsContact O-N 3.12Å
188P68.8Low83.6Confident55 Ų5560.7 Ų60.736%0.35731%0.311SS..G310 helixtrans-63-25.7-174.224.2-34000114.5K186 N190 F191 K391K186-P188 WeakPolarHBondContact O-CD 3.24Å; P188-N190 PolarHBondContact O-N 3.24Å; P188-F191 WeakPolarHBondContact O-CB 3.45Å; P188-F191 PolarHBondContact O-N 3.2Å; P188-F191 VanDerWaalsContact O-N 3.14Å; P188-K391 HydrophobicContact CB-CD 3.28Å; P188-K391 HydrophobicContact CG-CD 4.07Å
189M69.5Low83.7Confident132 Ų13259.6 Ų59.665%0.6530%0.303SS*.G310 helixtrans-64-21.8177.8-65.7-61.5-74.600113.3N187 F191N187-M189 PolarHBondContact O-N 3.33Å; M189-F191 VanDerWaalsContact C-N 3.27Å; M189-F191 PolarHBondContact O-N 2.92Å
190N76.3Confident83.8Confident113 Ų11363.4 Ų63.460%0.60432%0.319SS*.G310 helixtrans-91.412.4179.2-67.40.3000112.3P185 N187 P188 N192P185-N190 HydrophobicContact CG-CB 4.27Å; N187-N190 PolarHBondContact O-N 3.04Å; N187-N190 VanDerWaalsContact O-N 3.12Å; P188-N190 PolarHBondContact O-N 3.24Å; N190-N192 PolarHBondContact O-N 2.69Å
191F81.3Confident84.1Confident22 Ų2263.5 Ų63.510%0.09632%0.32CS..  trans-63.8124175.1-178.1-93.2000109.6C180 V183 P188 M189 V193 V196 F387 P388C180-F191 HydrophobicContact CB-CE2 4.49Å; C180-F191 HydrophobicContact CB-CZ 4.38Å; V183-F191 HydrophobicContact CB-CE2 4.15Å; V183-F191 HydrophobicContact CG1-CD2 4.17Å; V183-F191 HydrophobicContact CG1-CE2 3.7Å; V183-F191 HydrophobicContact CG1-CZ 4.5Å; P188-F191 WeakPolarHBondContact O-CB 3.45Å; P188-F191 PolarHBondContact O-N 3.2Å; P188-F191 VanDerWaalsContact O-N 3.14Å; M189-F191 VanDerWaalsContact C-N 3.27Å; M189-F191 PolarHBondContact O-N 2.92Å; F191-V193 HydrophobicContact CE1-CG2 4.49Å; F191-V196 HydrophobicContact CZ-CG2 4.33Å; F191-F387 HydrophobicContact CD1-CD1 4.19Å; F191-F387 HydrophobicContact CD2-CD1 4.23Å; F191-F387 AromaticContact CD2-CE1 3.99Å; F191-F387 HydrophobicContact CD2-CE1 3.99Å; F191-F387 AromaticContact CE1-CD1 3.84Å; F191-F387 HydrophobicContact CE1-CD1 3.84Å; F191-F387 AromaticContact CE2-CD1 3.87Å; F191-F387 HydrophobicContact CE2-CD1 3.87Å; F191-F387 AromaticContact CE2-CE1 3.79Å; F191-F387 HydrophobicContact CE2-CE1 3.79Å; F191-F387 HydrophobicContact CG-CD1 4.37Å; F191-F387 HydrophobicContact CG-CE1 4.44Å; F191-F387 AromaticContact CZ-CD1 3.66Å; F191-F387 HydrophobicContact CZ-CD1 3.66Å; F191-F387 HydrophobicContact CZ-CE1 4.09Å; F191-P388 HydrophobicContact CD1-CB 4.16Å; F191-P388 HydrophobicContact CD1-CG 3.78Å; F191-P388 HydrophobicContact CE1-CG 4.03Å
192N85Confident84.4Confident50 Ų5061.6 Ų61.627%0.26731%0.313SS..  trans-110123.2178.1-173.82000109.1N190 D194 H195N190-N192 PolarHBondContact O-N 2.69Å; N192-D194 PolarHBondContact O-N 3.1Å; N192-D194 WeakPolarHBondContact OD1-CB 3.47Å; N192-D194 PolarHBondContact OD1-N 3.21Å; N192-D194 VanDerWaalsContact OD1-N 3.15Å; N192-H195 WeakPolarHBondContact O-CB 3.27Å; N192-H195 PolarHBondContact O-N 3.02Å; N192-H195 VanDerWaalsContact O-N 3.12Å
193V85.6Confident84.7Confident47 Ų4758.8 Ų58.829%0.28531%0.306SS..G310 helixtrans-55.9-35.6176.6176.60000111.1F191 H195 V196 I384 N385 P388F191-V193 HydrophobicContact CE1-CG2 4.49Å; V193-H195 PolarHBondContact O-N 3.12Å; V193-V196 PolarHBondContact O-N 3.1Å; V193-V196 VanDerWaalsContact O-N 3.12Å; V193-I384 HydrophobicContact CG1-CG2 3.85Å; V193-N385 WeakPolarHBondContact CG1-OD1 3.23Å; V193-P388 HydrophobicContact CG2-CG 4.08Å
194D86.2Confident84.9Confident87 Ų8761.4 Ų61.447%0.46533%0.328SS..G310 helixtrans-62.6-14-179.7-81-41.7000115N192 V196 R317N192-D194 PolarHBondContact O-N 3.1Å; N192-D194 WeakPolarHBondContact OD1-CB 3.47Å; N192-D194 PolarHBondContact OD1-N 3.21Å; N192-D194 VanDerWaalsContact OD1-N 3.15Å; D194-V196 VanDerWaalsContact C-N 3.35Å; D194-R317 PolarHBondContact O-NE 3.39Å; D194-R317 IonicContact OD1-NH2 2.67Å; D194-R317 PolarHBondContact OD1-NH2 2.98Å
195H88.9Confident85.3Confident28 Ų2861.7 Ų61.713%0.1334%0.335CS..G310 helixtrans-81.8-15.5179.4-69.9-175000112.7V183 N192 V193 R320 H359 I360 A361V183-H195 HydrophobicContact CG1-CB 3.38Å; V183-H195 HydrophobicContact CG2-CB 4.36Å; N192-H195 WeakPolarHBondContact O-CB 3.27Å; N192-H195 PolarHBondContact O-N 3.02Å; N192-H195 VanDerWaalsContact O-N 3.12Å; V193-H195 PolarHBondContact O-N 3.12Å; H195-R320 PolarHBondContact NE2-NH1 3.04Å; H195-H359 WeakPolarHBondContact CB-O 3.34Å; H195-H359 PolarHBondContact ND1-O 3.15Å; H195-I360 HydrophobicContact CB-CG1 4.42Å; H195-I360 VanDerWaalsContact O-CA 3.27Å; H195-I360 WeakPolarHBondContact O-CA 3.15Å; H195-I360 VanDerWaalsContact O-CG2 3.3Å; H195-I360 WeakPolarHBondContact O-CG2 3.29Å; H195-A361 PolarHBondContact O-N 3.08Å
196V91.4Very high85.9Confident12 Ų1260.7 Ų60.77%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-98.7114.5168.6-174.70000107.7A179 V183 F191 V193 D194 A361 I363 I384A179-V196 HydrophobicContact CB-CG1 4.02Å; V183-V196 HydrophobicContact CB-CG2 4.37Å; V183-V196 HydrophobicContact CG2-CG2 3.96Å; F191-V196 HydrophobicContact CZ-CG2 4.33Å; V193-V196 PolarHBondContact O-N 3.1Å; V193-V196 VanDerWaalsContact O-N 3.12Å; D194-V196 VanDerWaalsContact C-N 3.35Å; V196-A361 WeakPolarHBondContact CA-O 3.38Å; V196-I363 HydrophobicContact CG1-CD1 3.89Å; V196-I363 HydrophobicContact CG1-CG1 4.3Å; V196-I384 HydrophobicContact CB-CD1 3.91Å; V196-I384 HydrophobicContact CB-CG1 4.34Å; V196-I384 HydrophobicContact CB-CG2 4.06Å; V196-I384 HydrophobicContact CG1-CD1 3.43Å; V196-I384 VanDerWaalsContact CG1-CD1 3.43Å; V196-I384 HydrophobicContact CG1-CG1 4Å; V196-I384 HydrophobicContact CG2-CG2 4.24Å
197R92.1Very high86.8Confident48 Ų4854.3 Ų54.318%0.18131%0.307CS..EExtended strand (participates in β ladder)trans-103.8145-178.3179.1178.7-178.6142.25.4111V199 M215 D314 A361 T362 I363R197-V199 HydrophobicContact CG-CG2 4.42Å; R197-M215 VanDerWaalsContact NH1-CE 3.34Å; R197-D314 IonicContact CZ-OD1 3.73Å; R197-D314 IonicContact CZ-OD2 3.78Å; R197-D314 IonicContact NH1-OD1 3.34Å; R197-D314 PolarHBondContact NH1-OD1 2.82Å; R197-D314 IonicContact NH1-OD2 2.69Å; R197-D314 PolarHBondContact NH1-OD2 3.38Å; R197-D314 VanDerWaalsContact NH1-OD2 3.09Å; R197-D314 VanDerWaalsContact NH2-CG 3.34Å; R197-D314 IonicContact NH2-OD1 2.73Å; R197-D314 PolarHBondContact NH2-OD1 3.37Å; R197-D314 IonicContact NH2-OD2 2.58Å; R197-D314 PolarHBondContact NH2-OD2 3.11Å; R197-A361 PolarHBondContact N-O 3.24Å; R197-T362 HydrophobicContact CB-CG2 4.37Å; R197-T362 HydrophobicContact CG-CG2 4.33Å; R197-T362 CarbonylContact O-C 3.45Å; R197-T362 VanDerWaalsContact O-CA 3.28Å; R197-T362 WeakPolarHBondContact O-CA 3.21Å; R197-I363 PolarHBondContact O-N 3.12Å
198T93.5Very high87.7Confident25 Ų2551.3 Ų51.315%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-103.3138.9166.549.20000110.7I363 I365 E377 V380T198-I363 CarbonylContact C-O 3.53Å; T198-I363 WeakPolarHBondContact CA-O 3.41Å; T198-I365 HydrophobicContact CG2-CD1 3.94Å; T198-E377 HydrophobicContact CG2-CG 4.37Å; T198-E377 PolarHBondContact OG1-OE1 2.82Å; T198-V380 HydrophobicContact CG2-CB 4.46Å; T198-V380 HydrophobicContact CG2-CG1 3.69Å
199V93Very high88.9Confident14 Ų1449 Ų499%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-128.1127.6169.6173.30000107.8R197 V201 V216 T362 I363 I364 I365R197-V199 HydrophobicContact CG-CG2 4.42Å; V199-V201 HydrophobicContact CG1-CG2 4.1Å; V199-V216 HydrophobicContact CG2-CB 4.38Å; V199-T362 HydrophobicContact CB-CG2 4.12Å; V199-T362 HydrophobicContact CG2-CG2 3.57Å; V199-I363 PolarHBondContact N-O 3.23Å; V199-I364 CarbonylContact O-C 3.57Å; V199-I364 WeakPolarHBondContact O-CA 3.3Å; V199-I365 PolarHBondContact O-N 3.04Å
200K93.3Very high90Very high80 Ų8046 Ų4635%0.34827%0.271SS..EExtended strand (participates in β ladder)trans-96.8130.6-179.8-66.2179.3-68.2-155.80109.6M373 D374 E377K200-M373 HydrophobicContact CB-CE 4.1Å; K200-M373 HydrophobicContact CB-SD 4.14Å; K200-M373 HydrophobicContact CD-CB 4Å; K200-M373 HydrophobicContact CG-CB 4.27Å; K200-D374 IonicContact NZ-OD1 2.74Å; K200-D374 PolarHBondContact NZ-OD1 3.35Å; K200-E377 HydrophobicContact CD-CB 4.42Å; K200-E377 WeakPolarHBondContact CD-OE2 3.45Å; K200-E377 VanDerWaalsContact CE-OE2 3.25Å; K200-E377 WeakPolarHBondContact CE-OE2 3.4Å; K200-E377 IonicContact NZ-OE2 3.37Å; K200-E377 PolarHBondContact NZ-OE2 2.9Å
201V93.1Very high90.9Very high2 Ų242.5 Ų42.51%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-134.9125.5176.4-162.60000108.8V199 I343 D346 L348 I364 I365 R366 M373V199-V201 HydrophobicContact CG1-CG2 4.1Å; V201-I343 WeakPolarHBondContact CG1-O 3.46Å; V201-D346 HydrophobicContact CG1-CB 4.4Å; V201-L348 HydrophobicContact CG1-CD1 4.36Å; V201-L348 HydrophobicContact CG2-CD1 3.75Å; V201-I364 HydrophobicContact CG2-CG2 3.77Å; V201-I365 PolarHBondContact N-O 3.21Å; V201-R366 VanDerWaalsContact CB-NH1 3.33Å; V201-M373 VanDerWaalsContact O-SD 3.39Å
202L93.3Very high91.3Very high86 Ų8642.3 Ų42.345%0.4525%0.251SS..EExtended strand (participates in β ladder)trans-67.4141.8-176.4-73.9166.1000111.4R366 M373L202-R366 PolarHBondContact O-NH1 3.32Å; L202-R366 PolarHBondContact O-NH2 3.39Å; L202-M373 HydrophobicContact CD2-CE 3.26Å; L202-M373 HydrophobicContact CD2-SD 4.17Å; L202-M373 HydrophobicContact CG-CE 3.69Å
203G90.4Very high91.5Very high25 Ų2541.1 Ų41.126%0.25825%0.245SC..BIsolated β-bridgetrans110.1162.5175.900000114R366 G367G203-R366 PolarHBondContact O-NE 3.42Å; G203-G367 PolarHBondContact N-O 2.68Å; G203-G367 PolarHBondContact O-N 3Å; G203-G367 VanDerWaalsContact O-N 3.17Å
204A90.5Very high91.6Very high58 Ų5838.9 Ų38.948%0.47923%0.231SC..SBendtrans58.9-175.7-173.200000114.2A208 R366 G367 S368A204-A208 HydrophobicContact CB-CB 3.83Å; A204-R366 HydrophobicContact CB-CB 4.47Å; A204-G367 CarbonylContact O-C 3.6Å; A204-G367 VanDerWaalsContact O-C 3.27Å; A204-G367 WeakPolarHBondContact O-CA 3.37Å; A204-S368 PolarHBondContact O-N 3.27Å; A204-S368 VanDerWaalsContact O-N 3.15Å
205S91.8Very high91.8Very high65 Ų6534.8 Ų34.846%0.45521%0.209SC..  trans-89.5164.4174.852.30000111.4T207 A208S205-T207 PolarHBondContact O-N 3.42Å; S205-T207 PolarHBondContact OG-OG1 3.4Å; S205-A208 WeakPolarHBondContact O-CB 3.27Å; S205-A208 PolarHBondContact O-N 3.25Å
206V91.9Very high92Very high11 Ų1133.4 Ų33.47%0.06720%0.203CC..G310 helixtrans-57.4-31.4175.3-177.90000112N168 F171 L172 A208 S209 R366 V372 T376N168-V206 HydrophobicContact CB-CG1 4.38Å; F171-V206 WeakPolarHBondContact CE1-O 3.42Å; L172-V206 HydrophobicContact CD1-CG1 4.35Å; L172-V206 HydrophobicContact CD2-CG1 4.08Å; L172-V206 HydrophobicContact CG-CG1 4.47Å; V206-A208 PolarHBondContact O-N 2.85Å; V206-S209 VanDerWaalsContact O-CB 3.25Å; V206-S209 WeakPolarHBondContact O-CB 3.43Å; V206-S209 PolarHBondContact O-N 3.28Å; V206-S209 VanDerWaalsContact O-N 3.08Å; V206-S209 PolarHBondContact O-OG 3.14Å; V206-R366 WeakPolarHBondContact CA-O 3.44Å; V206-V372 HydrophobicContact CG2-CG1 3.92Å; V206-T376 HydrophobicContact CG1-CG2 3.87Å; V206-T376 HydrophobicContact CG2-CG2 3.85Å
207T92.4Very high92Very high75 Ų7533.3 Ų33.346%0.4620%0.201SC..G310 helixtrans-65.5-14.9176.2540000114.4F171 S205 S209F171-T207 WeakPolarHBondContact CZ-O 3.49Å; S205-T207 PolarHBondContact O-N 3.42Å; S205-T207 PolarHBondContact OG-OG1 3.4Å; T207-S209 VanDerWaalsContact C-N 3.3Å
208A93.2Very high91.6Very high43 Ų4333.4 Ų33.436%0.35521%0.213SC..G310 helixtrans-88.75.2174.100000112.9A204 S205 V206 R366A204-A208 HydrophobicContact CB-CB 3.83Å; S205-A208 WeakPolarHBondContact O-CB 3.27Å; S205-A208 PolarHBondContact O-N 3.25Å; V206-A208 PolarHBondContact O-N 2.85Å; A208-R366 HydrophobicContact CB-CB 4.29Å; A208-R366 HydrophobicContact CB-CG 4.37Å
209S93.9Very high90.6Very high5 Ų538.6 Ų38.64%0.03524%0.235CC..  trans-66.2141176.9-56.40000110.6F171 V206 T207 I364 R366F171-S209 WeakPolarHBondContact CZ-O 3.37Å; V206-S209 VanDerWaalsContact O-CB 3.25Å; V206-S209 WeakPolarHBondContact O-CB 3.43Å; V206-S209 PolarHBondContact O-N 3.28Å; V206-S209 VanDerWaalsContact O-N 3.08Å; V206-S209 PolarHBondContact O-OG 3.14Å; T207-S209 VanDerWaalsContact C-N 3.3Å; S209-I364 CarbonylContact C-O 3.56Å; S209-I364 WeakPolarHBondContact CA-O 3.43Å; S209-I364 WeakPolarHBondContact CB-O 3.43Å; S209-R366 PolarHBondContact OG-N 3.17Å; S209-R366 VanDerWaalsContact OG-N 3.08Å
210T93.5Very high89.4Confident69 Ų6938 Ų3842%0.42323%0.232SC..EExtended strand (participates in β ladder)trans-125.1150-174.356.10000111.4I364T210-I364 PolarHBondContact N-O 3.17Å; T210-I364 PolarHBondContact O-N 3.12Å
211L93.6Very high88.5Confident41 Ų4136.3 Ų36.322%0.21523%0.226CC..EExtended strand (participates in β ladder)trans-93.5128.3169.217660.5000109L175 S178 A179 M182 A361 I363L175-L211 HydrophobicContact CD2-CB 4.14Å; S178-L211 VanDerWaalsContact OG-CD2 3.27Å; S178-L211 WeakPolarHBondContact OG-CD2 3.42Å; A179-L211 HydrophobicContact CB-CD1 3.51Å; A179-L211 HydrophobicContact CB-CD2 4.23Å; M182-L211 HydrophobicContact CE-CD2 3.57Å; M182-L211 HydrophobicContact CE-CG 4.26Å; M182-L211 HydrophobicContact SD-CD2 3.75Å; M182-L211 HydrophobicContact SD-CG 4.17Å; L211-A361 HydrophobicContact CD1-CB 4.2Å; L211-I363 HydrophobicContact CD1-CG1 4.03Å
212F91Very high87.6Confident17 Ų1738.1 Ų38.18%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-118.3128.4176.6-177.5-101.4000110.5G214 V216 Y339 F350 F351 K352 T362 I364F212-G214 PolarHBondContact O-N 3.39Å; F212-V216 HydrophobicContact CB-CG2 4.29Å; F212-V216 HydrophobicContact CD1-CG2 3.5Å; F212-V216 VanDerWaalsContact CD1-CG2 3.5Å; F212-V216 HydrophobicContact CE1-CG2 3.96Å; F212-V216 HydrophobicContact CG-CG2 3.97Å; F212-Y339 HydrophobicContact CE2-CE1 4.33Å; F212-F350 HydrophobicContact CD1-CD1 4.36Å; F212-F350 AromaticContact CD2-CD1 3.9Å; F212-F350 HydrophobicContact CD2-CD1 3.9Å; F212-F350 HydrophobicContact CE1-CB 4.35Å; F212-F350 HydrophobicContact CE1-CD1 4.15Å; F212-F350 HydrophobicContact CE2-CB 4.08Å; F212-F350 AromaticContact CE2-CD1 3.68Å; F212-F350 HydrophobicContact CE2-CD1 3.68Å; F212-F350 HydrophobicContact CE2-CG 4.29Å; F212-F350 HydrophobicContact CG-CD1 4.23Å; F212-F350 HydrophobicContact CZ-CB 3.67Å; F212-F350 AromaticContact CZ-CD1 3.8Å; F212-F350 HydrophobicContact CZ-CD1 3.8Å; F212-F350 HydrophobicContact CZ-CG 4.22Å; F212-F351 VanDerWaalsContact CE1-O 3.3Å; F212-F351 WeakPolarHBondContact CE1-O 3.2Å; F212-K352 HydrophobicContact CE2-CB 3.94Å; F212-K352 HydrophobicContact CE2-CD 4.3Å; F212-K352 HydrophobicContact CE2-CG 4.12Å; F212-K352 HydrophobicContact CZ-CB 3.55Å; F212-K352 HydrophobicContact CZ-CG 4.14Å; F212-T362 PolarHBondContact N-O 3.29Å; F212-T362 PolarHBondContact O-N 2.79Å; F212-I364 HydrophobicContact CB-CD1 4.27Å
213N88.9Confident86.8Confident26 Ų2634.4 Ų34.414%0.13922%0.222CC..EExtended strand (participates in β ladder)trans-84.998.6176.8-167.417.4000110.2M182 Q353M182-N213 HydrophobicContact SD-CB 4.05Å; N213-Q353 PolarHBondContact ND2-O 2.92Å; N213-Q353 PolarHBondContact O-N 3.47Å
214G88.7Confident86.4Confident0 Ų040.9 Ų40.90%025%0.245CC..EExtended strand (participates in β ladder)trans129.4-154-174.200000112.3F212 F351 I360 T362F212-G214 PolarHBondContact O-N 3.39Å; G214-F351 VanDerWaalsContact CA-O 3.28Å; G214-F351 WeakPolarHBondContact CA-O 3.17Å; G214-I360 WeakPolarHBondContact CA-O 3.44Å; G214-I360 PolarHBondContact N-O 3.23Å; G214-T362 WeakPolarHBondContact O-CB 3.29Å; G214-T362 PolarHBondContact O-N 2.63Å; G214-T362 PolarHBondContact O-OG1 3.4Å
215M90.5Very high86Confident0 Ų040.6 Ų40.60%024%0.236CC..EExtended strand (participates in β ladder)trans-115.4144.4-175.2-69-163.673.600113R197 F217 R317 L318 F351 I360R197-M215 VanDerWaalsContact NH1-CE 3.34Å; M215-F217 HydrophobicContact CB-CE2 3.95Å; M215-F217 HydrophobicContact CB-CZ 3.84Å; M215-F217 HydrophobicContact CE-CE1 3.66Å; M215-F217 HydrophobicContact CE-CZ 3.56Å; M215-F217 HydrophobicContact SD-CZ 3.98Å; M215-R317 HydrophobicContact CE-CB 3.62Å; M215-R317 HydrophobicContact SD-CB 3.69Å; M215-L318 WeakPolarHBondContact SD-CA 3.46Å; M215-L318 HydrophobicContact SD-CB 3.79Å; M215-L318 PolarHBondContact SD-N 3.46Å; M215-F351 PolarHBondContact N-O 3.43Å; M215-F351 VanDerWaalsContact N-O 3.13Å; M215-F351 PolarHBondContact O-N 3Å; M215-I360 HydrophobicContact CG-CG2 3.94Å; M215-I360 HydrophobicContact SD-CD1 4.44Å; M215-I360 HydrophobicContact SD-CG2 4.49Å
216V91.8Very high85.6Confident0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-123.1136.1175.9-172.70000109.3V199 F212 L348 A349 F350 T362 I364V199-V216 HydrophobicContact CG2-CB 4.38Å; F212-V216 HydrophobicContact CB-CG2 4.29Å; F212-V216 HydrophobicContact CD1-CG2 3.5Å; F212-V216 VanDerWaalsContact CD1-CG2 3.5Å; F212-V216 HydrophobicContact CE1-CG2 3.96Å; F212-V216 HydrophobicContact CG-CG2 3.97Å; V216-L348 HydrophobicContact CG1-CB 3.99Å; V216-L348 HydrophobicContact CG1-CD1 4.16Å; V216-A349 WeakPolarHBondContact CA-O 3.41Å; V216-F350 HydrophobicContact CB-CD1 4.45Å; V216-F350 HydrophobicContact CB-CE1 4.36Å; V216-F350 HydrophobicContact CG1-CD1 4.12Å; V216-F350 HydrophobicContact CG1-CE1 3.74Å; V216-F350 HydrophobicContact CG1-CZ 4Å; V216-F350 HydrophobicContact CG2-CD1 3.59Å; V216-F350 HydrophobicContact CG2-CE1 3.64Å; V216-T362 HydrophobicContact CB-CG2 4.17Å; V216-T362 HydrophobicContact CG2-CG2 4.05Å; V216-I364 HydrophobicContact CG2-CD1 4.07Å; V216-I364 HydrophobicContact CG2-CG1 4.34Å
217F90.9Very high85.4Confident9 Ų947.4 Ų47.44%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-125.9136.3174.9-54-75.2000110.7M215 V309 D314 L318 L348 A349 F351M215-F217 HydrophobicContact CB-CE2 3.95Å; M215-F217 HydrophobicContact CB-CZ 3.84Å; M215-F217 HydrophobicContact CE-CE1 3.66Å; M215-F217 HydrophobicContact CE-CZ 3.56Å; M215-F217 HydrophobicContact SD-CZ 3.98Å; F217-V309 HydrophobicContact CD1-CG1 4.14Å; F217-V309 HydrophobicContact CD1-CG2 4.12Å; F217-V309 HydrophobicContact CD2-CG2 4.26Å; F217-V309 HydrophobicContact CE1-CG1 3.97Å; F217-V309 HydrophobicContact CE1-CG2 4.18Å; F217-V309 HydrophobicContact CE2-CG2 4.3Å; F217-V309 HydrophobicContact CG-CG2 4.16Å; F217-V309 HydrophobicContact CZ-CG2 4.25Å; F217-D314 HydrophobicContact CE1-CB 3.92Å; F217-L318 HydrophobicContact CE2-CD1 3.39Å; F217-L318 HydrophobicContact CZ-CB 4.17Å; F217-L318 HydrophobicContact CZ-CD1 3.58Å; F217-L348 WeakPolarHBondContact O-CA 3.45Å; F217-A349 PolarHBondContact N-O 3.29Å; F217-A349 PolarHBondContact O-N 3.1Å; F217-F351 AromaticContact CD2-CD2 3.83Å; F217-F351 HydrophobicContact CD2-CD2 3.83Å; F217-F351 AromaticContact CD2-CE2 3.7Å; F217-F351 HydrophobicContact CD2-CE2 3.7Å; F217-F351 AromaticContact CE2-CD2 3.61Å; F217-F351 HydrophobicContact CE2-CD2 3.61Å; F217-F351 AromaticContact CE2-CE2 3.69Å; F217-F351 HydrophobicContact CE2-CE2 3.69Å
218A84.4Confident85.2Confident51 Ų5144.6 Ų44.642%0.42124%0.244SC..EExtended strand (participates in β ladder)trans-87.6138.7172.200000111.1S220 L348A218-S220 PolarHBondContact O-N 3.26Å; A218-L348 VanDerWaalsContact CA-CD2 3.5Å; A218-L348 HydrophobicContact CB-CD2 3.6Å
219H71.8Confident84.9Confident133 Ų13348.4 Ų48.462%0.61625%0.254SS*.SBendtrans56.445.6169.4-52.7-63.3000115.3D346 E347H219-D346 IonicContact CE1-OD1 3.99Å; H219-D346 IonicContact NE2-OD1 2.68Å; H219-E347 PolarHBondContact N-O 3.12Å
220S69.6Low84.6Confident3 Ų356.3 Ų56.32%0.02129%0.288CS..  trans-113.95.5-173.254.90000114.8A218 V307 K308 A349A218-S220 PolarHBondContact O-N 3.26Å; S220-V307 CarbonylContact O-C 3.55Å; S220-V307 VanDerWaalsContact O-CA 3.32Å; S220-V307 WeakPolarHBondContact O-CA 3.46Å; S220-K308 WeakPolarHBondContact CA-O 3.33Å; S220-K308 WeakPolarHBondContact CB-O 3.35Å; S220-K308 PolarHBondContact O-N 2.82Å; S220-A349 WeakPolarHBondContact OG-CB 3.41Å
221I72.8Confident84.4Confident44 Ų4453.1 Ų53.123%0.22627%0.268CS..BIsolated β-bridgetrans-95.5135.7-168.1-59.1146.6000110.6T223 I340 E347 A349I221-T223 WeakPolarHBondContact CG2-O 3.18Å; I221-I340 HydrophobicContact CB-CD1 4.18Å; I221-I340 HydrophobicContact CD1-CB 4.1Å; I221-I340 HydrophobicContact CD1-CD1 3.71Å; I221-I340 HydrophobicContact CD1-CG1 3.64Å; I221-I340 HydrophobicContact CD1-CG2 3.38Å; I221-I340 HydrophobicContact CG1-CD1 3.62Å; I221-I340 HydrophobicContact CG1-CG1 3.84Å; I221-I340 HydrophobicContact CG1-CG2 4.46Å; I221-I340 HydrophobicContact CG2-CD1 3.46Å; I221-I340 VanDerWaalsContact CG2-CD1 3.46Å; I221-E347 HydrophobicContact CD1-CB 3.91Å; I221-A349 HydrophobicContact CG1-CB 4.36Å
222A74.9Confident84.2Confident40 Ų4055.2 Ų55.233%0.33128%0.276SS..  trans-120.5-16.8172.500000114L291 V296 G306A222-L291 HydrophobicContact CB-CD1 3.47Å; A222-L291 VanDerWaalsContact CB-CD1 3.47Å; A222-V296 HydrophobicContact CB-CG1 4.35Å; A222-V296 HydrophobicContact CB-CG2 3.87Å; A222-V296 WeakPolarHBondContact O-CG1 3.38Å; A222-G306 PolarHBondContact N-O 3.13Å
223T77.3Confident84.2Confident8 Ų854.4 Ų54.45%0.04927%0.273CS..SBendtrans-113157.2-170.252.10000112.5I221 L225 V296 L299 N300 L305 G306I221-T223 WeakPolarHBondContact CG2-O 3.18Å; T223-L225 VanDerWaalsContact C-N 3.29Å; T223-L225 PolarHBondContact O-N 3.35Å; T223-V296 HydrophobicContact CG2-CG1 4.32Å; T223-L299 HydrophobicContact CG2-CB 4.04Å; T223-L299 HydrophobicContact CG2-CD1 4.4Å; T223-N300 VanDerWaalsContact CA-OD1 3.31Å; T223-N300 WeakPolarHBondContact CA-OD1 3.45Å; T223-N300 WeakPolarHBondContact CB-OD1 3.41Å; T223-N300 WeakPolarHBondContact CG2-OD1 3.34Å; T223-L305 WeakPolarHBondContact OG1-CA 3.41Å; T223-L305 WeakPolarHBondContact OG1-CD1 3.18Å; T223-G306 VanDerWaalsContact CG2-N 3.29Å; T223-G306 PolarHBondContact OG1-N 3.19Å
224E81.3Confident84.3Confident160 Ų16053.3 Ų53.375%0.74827%0.267SS*.SBendtrans-76.2-9-174.7-64.3172.8-169.700114.7N226 N300E224-N226 PolarHBondContact O-OD1 2.93Å; E224-N300 PolarHBondContact N-OD1 3.45Å
225L81.1Confident84.4Confident52 Ų5253.4 Ų53.427%0.27227%0.267SS..  trans-83.7121.9-175.9-72.3-179.4000112.8T223 K303 L305 I340T223-L225 VanDerWaalsContact C-N 3.29Å; T223-L225 PolarHBondContact O-N 3.35Å; L225-K303 HydrophobicContact CD1-CB 3.9Å; L225-K303 WeakPolarHBondContact CD1-O 3.43Å; L225-L305 WeakPolarHBondContact O-CD1 3.35Å; L225-I340 WeakPolarHBondContact O-CD1 3.26Å
226N83.4Confident84.3Confident105 Ų10554.2 Ų54.256%0.56127%0.271SS*.  trans-89.6-25.8-175.6-64.1-8.3000114.7E224 Y339 I340E224-N226 PolarHBondContact O-OD1 2.93Å; N226-Y339 CarbonylContact O-C 3.49Å; N226-Y339 WeakPolarHBondContact O-CA 3.35Å; N226-I340 PolarHBondContact O-N 3.38Å
227K87.5Confident84.2Confident114 Ų11457.1 Ų57.150%0.49629%0.291SS..EExtended strand (participates in β ladder)trans-145.6132.9-174.9-169.3-179.3-170.5-152.40112E229K227-E229 IonicContact NZ-OE1 3.04Å; K227-E229 PolarHBondContact NZ-OE1 2.88Å
228V88.8Confident83.9Confident17 Ų1759.8 Ų59.810%0.10331%0.31CS..EExtended strand (participates in β ladder)trans-132.3122.3173.6-1780000108.8A231 N283 V284 L305 V338V228-A231 HydrophobicContact CB-CB 4.43Å; V228-A231 HydrophobicContact CG1-CB 3.78Å; V228-N283 HydrophobicContact CG1-CB 3.74Å; V228-V284 HydrophobicContact CB-CG2 4.42Å; V228-V284 HydrophobicContact CG1-CG2 4.34Å; V228-V284 HydrophobicContact CG2-CG2 4.5Å; V228-L305 HydrophobicContact CG2-CB 4.27Å; V228-V338 PolarHBondContact N-O 3.33Å; V228-V338 PolarHBondContact O-N 2.78Å
229E88.1Confident84Confident123 Ų12361.2 Ų61.258%0.57532%0.315SS*.EExtended strand (participates in β ladder)trans-95.8144.2172.5-63.8178.7-176.100109.8K227 A231 D336K227-E229 IonicContact NZ-OE1 3.04Å; K227-E229 PolarHBondContact NZ-OE1 2.88Å; E229-A231 PolarHBondContact O-N 3.23Å; E229-D336 CarbonylContact C-O 3.56Å
230K87.5Confident84.6Confident171 Ų17155.2 Ų55.274%0.74329%0.287SS*.EExtended strand (participates in β ladder)trans45.862-174.9-63.3-177.1-179.5179.90112.1K232 C335 D336K230-K232 PolarHBondContact O-N 3.29Å; K230-C335 CarbonylContact C-O 3.52Å; K230-C335 WeakPolarHBondContact CA-O 3.27Å; K230-D336 WeakPolarHBondContact CA-O 3.42Å; K230-D336 PolarHBondContact N-O 3.38Å
231A87.8Confident85.4Confident1 Ų157.9 Ų57.91%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-77.1122.1-174.500000111.3V228 E229 V233 V284 C335 V338V228-A231 HydrophobicContact CB-CB 4.43Å; V228-A231 HydrophobicContact CG1-CB 3.78Å; E229-A231 PolarHBondContact O-N 3.23Å; A231-V233 HydrophobicContact CB-CG2 4.29Å; A231-V284 HydrophobicContact CB-CG2 3.59Å; A231-C335 HydrophobicContact CB-CB 4.33Å; A231-C335 PolarHBondContact N-O 3.48Å; A231-C335 PolarHBondContact O-N 3.06Å; A231-V338 HydrophobicContact CB-CB 4.48Å; A231-V338 HydrophobicContact CB-CG2 3.81Å
232K90.6Very high85.8Confident86 Ų8659 Ų5937%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-81.4118.5161-76.4-175.2-179.9-179.60108.6K230 G281 N283 V284 V332K230-K232 PolarHBondContact O-N 3.29Å; K232-G281 WeakPolarHBondContact CB-O 3.35Å; K232-G281 WeakPolarHBondContact CD-O 3.48Å; K232-N283 PolarHBondContact O-N 3.39Å; K232-V284 PolarHBondContact O-N 2.81Å; K232-V284 VanDerWaalsContact O-N 3.08Å; K232-V332 HydrophobicContact CB-CG1 3.7Å; K232-V332 HydrophobicContact CD-CG1 4.31Å; K232-V332 HydrophobicContact CG-CG1 4.07Å
233V90.1Very high85.9Confident0 Ų064.1 Ų64.10%033%0.334CS..EExtended strand (participates in β ladder)trans-111.3130.9-171.4-172.60000109.7A231 V235 V284 V286 V322 G333 C335A231-V233 HydrophobicContact CB-CG2 4.29Å; V233-V235 HydrophobicContact CG1-CG2 4.27Å; V233-V284 WeakPolarHBondContact CA-O 3.49Å; V233-V284 HydrophobicContact CG1-CB 4.41Å; V233-V284 HydrophobicContact CG1-CG1 4.26Å; V233-V284 HydrophobicContact CG2-CB 4.13Å; V233-V286 HydrophobicContact CG1-CG2 3.73Å; V233-V322 HydrophobicContact CB-CG1 3.71Å; V233-V322 HydrophobicContact CG1-CG1 4.27Å; V233-V322 HydrophobicContact CG2-CG1 3.81Å; V233-G333 PolarHBondContact N-O 3.33Å; V233-G333 PolarHBondContact O-N 3.13Å; V233-C335 HydrophobicContact CG2-CB 3.81Å
234V91.4Very high86Confident3 Ų371.5 Ų71.52%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-114.4138.3166.9172.30000109.5F236 I282 V284 V286 L330 V332V234-F236 HydrophobicContact CB-CE2 4.42Å; V234-F236 HydrophobicContact CG1-CD1 4.48Å; V234-F236 HydrophobicContact CG1-CD2 4.16Å; V234-F236 HydrophobicContact CG1-CE1 3.97Å; V234-F236 HydrophobicContact CG1-CE2 3.62Å; V234-F236 HydrophobicContact CG1-CZ 3.51Å; V234-I282 HydrophobicContact CB-CD1 4.35Å; V234-I282 HydrophobicContact CB-CG2 4.25Å; V234-I282 HydrophobicContact CG2-CD1 3.39Å; V234-I282 HydrophobicContact CG2-CG1 3.77Å; V234-I282 HydrophobicContact CG2-CG2 4Å; V234-V284 PolarHBondContact N-O 2.9Å; V234-V286 PolarHBondContact O-N 3.46Å; V234-L330 HydrophobicContact CG1-CD2 4.22Å; V234-V332 HydrophobicContact CG2-CB 4.4Å; V234-V332 HydrophobicContact CG2-CG1 4.44Å; V234-V332 HydrophobicContact CG2-CG2 3.87Å
235V91Very high86Confident1 Ų166.2 Ų66.21%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-116.4110.4-176.4-172.50000109.9V233 V286 L315 L318 A324V233-V235 HydrophobicContact CG1-CG2 4.27Å; V235-V286 CarbonylContact C-O 3.47Å; V235-V286 WeakPolarHBondContact CA-O 3.33Å; V235-V286 HydrophobicContact CG1-CB 4.4Å; V235-V286 HydrophobicContact CG1-CG1 4.36Å; V235-V286 HydrophobicContact CG2-CB 4.26Å; V235-L315 HydrophobicContact CG1-CD1 4.07Å; V235-L315 HydrophobicContact CG1-CD2 3.48Å; V235-L315 VanDerWaalsContact CG1-CD2 3.48Å; V235-L315 HydrophobicContact CG1-CG 3.57Å; V235-L318 HydrophobicContact CG2-CD2 3.44Å; V235-L318 VanDerWaalsContact CG2-CD2 3.44Å; V235-A324 HydrophobicContact CG2-CB 3.79Å
236F89.2Confident86.3Confident18 Ų1873.6 Ų73.68%0.07938%0.384CS..EExtended strand (participates in β ladder)trans-94.2126.4174.8-63.4-72.5000110.9V234 C238 F240 F273 L277 V285 V286 T287 G288 L330V234-F236 HydrophobicContact CB-CE2 4.42Å; V234-F236 HydrophobicContact CG1-CD1 4.48Å; V234-F236 HydrophobicContact CG1-CD2 4.16Å; V234-F236 HydrophobicContact CG1-CE1 3.97Å; V234-F236 HydrophobicContact CG1-CE2 3.62Å; V234-F236 HydrophobicContact CG1-CZ 3.51Å; F236-C238 VanDerWaalsContact C-N 3.35Å; F236-F240 AromaticContact CD2-CD2 3.88Å; F236-F240 HydrophobicContact CD2-CD2 3.88Å; F236-F240 HydrophobicContact CD2-CE2 4.09Å; F236-F240 AromaticContact CE2-CD2 3.97Å; F236-F240 HydrophobicContact CE2-CD2 3.97Å; F236-F240 AromaticContact CE2-CE2 3.7Å; F236-F240 HydrophobicContact CE2-CE2 3.7Å; F236-F240 HydrophobicContact CZ-CE2 4.28Å; F236-F273 HydrophobicContact CZ-CZ 4.46Å; F236-L277 HydrophobicContact CE2-CD1 4.42Å; F236-L277 HydrophobicContact CZ-CD1 4.48Å; F236-L277 HydrophobicContact CZ-CD2 4.23Å; F236-V285 HydrophobicContact CD2-CG1 3.74Å; F236-V285 HydrophobicContact CE2-CG1 3.74Å; F236-V286 PolarHBondContact N-O 3.48Å; F236-T287 HydrophobicContact CB-CG2 4.25Å; F236-T287 HydrophobicContact CD2-CG2 4.24Å; F236-T287 CarbonylContact O-C 3.59Å; F236-T287 WeakPolarHBondContact O-CA 3.24Å; F236-G288 PolarHBondContact O-N 3.22Å; F236-L330 HydrophobicContact CE1-CD2 4.13Å; F236-L330 HydrophobicContact CZ-CD2 3.98Å
237S88.1Confident86.6Confident60 Ų6073.9 Ų73.942%0.4239%0.39SS..SBendtrans-76.5-26169.256.10000112.4
238C84.7Confident86.4Confident66 Ų6678.5 Ų78.545%0.44641%0.41SS..SBendtrans-78.5157174.9-63.20000111.9F236F236-C238 VanDerWaalsContact C-N 3.35Å
239P86.8Confident85.9Confident80 Ų8081.5 Ų81.552%0.51943%0.432SS..  trans-60.9145.3164.529.2-34.7000110.2D241P239-D241 PolarHBondContact O-N 2.58Å
240F84.9Confident85.7Confident8 Ų881.6 Ų81.64%0.03544%0.441CS..BIsolated β-bridgetrans-10073.1176.1-162.9-99.5000107.7F236 F273 V274 L277 V285 T287 K290 L291 G292 H295 L299F236-F240 AromaticContact CD2-CD2 3.88Å; F236-F240 HydrophobicContact CD2-CD2 3.88Å; F236-F240 HydrophobicContact CD2-CE2 4.09Å; F236-F240 AromaticContact CE2-CD2 3.97Å; F236-F240 HydrophobicContact CE2-CD2 3.97Å; F236-F240 AromaticContact CE2-CE2 3.7Å; F236-F240 HydrophobicContact CE2-CE2 3.7Å; F236-F240 HydrophobicContact CZ-CE2 4.28Å; F240-F273 HydrophobicContact CD2-CE1 4.15Å; F240-F273 HydrophobicContact CE2-CD1 4.24Å; F240-F273 AromaticContact CE2-CE1 3.36Å; F240-F273 HydrophobicContact CE2-CE1 3.36Å; F240-F273 HydrophobicContact CE2-CZ 4.15Å; F240-F273 HydrophobicContact CZ-CD1 4.13Å; F240-F273 AromaticContact CZ-CE1 3.69Å; F240-F273 HydrophobicContact CZ-CE1 3.69Å; F240-V274 HydrophobicContact CE1-CG2 4.43Å; F240-V274 HydrophobicContact CZ-CG2 4.37Å; F240-L277 HydrophobicContact CE2-CD1 3.95Å; F240-L277 HydrophobicContact CZ-CD1 3.84Å; F240-V285 HydrophobicContact CD2-CG1 4.3Å; F240-V285 HydrophobicContact CE2-CG1 4.11Å; F240-V285 HydrophobicContact CZ-CG1 4.41Å; F240-T287 HydrophobicContact CB-CG2 3.55Å; F240-T287 HydrophobicContact CD2-CG2 4.32Å; F240-T287 HydrophobicContact CG-CG2 4.13Å; F240-K290 PolarHBondContact N-O 3.42Å; F240-L291 HydrophobicContact CB-CD2 3.76Å; F240-L291 HydrophobicContact CD1-CD2 4.19Å; F240-L291 HydrophobicContact CG-CD2 4.29Å; F240-G292 PolarHBondContact O-N 3.48Å; F240-H295 HydrophobicContact CD1-CB 3.56Å; F240-H295 AromaticContact CD1-CD2 3.59Å; F240-H295 AromaticContact CD1-CG 3.77Å; F240-H295 HydrophobicContact CE1-CB 3.67Å; F240-H295 AromaticContact CE1-CD2 3.54Å; F240-H295 AromaticContact CE1-CG 3.94Å; F240-L299 HydrophobicContact CE1-CD1 4.11Å; F240-L299 HydrophobicContact CE1-CD2 4.41Å; F240-L299 HydrophobicContact CE1-CG 4.35Å
241D86.5Confident85.5Confident58 Ų5877.7 Ų77.731%0.3143%0.431SS..SBendtrans-149.8171.1-174.9-161.25000109P239 V243P239-D241 PolarHBondContact O-N 2.58Å; D241-V243 PolarHBondContact O-N 2.69Å
242L80.9Confident85.4Confident69 Ų6981.9 Ų81.936%0.36146%0.461SS..  trans-54.2122.6170.9-70.1168000109.3Q244 I270L242-Q244 PolarHBondContact O-N 3.18Å; L242-I270 HydrophobicContact CD2-CD1 4.03Å; L242-I270 HydrophobicContact CD2-CG1 4.37Å; L242-I270 HydrophobicContact CG-CD1 4.43Å
243V77.6Confident85.3Confident146 Ų14681 Ų8189%0.88546%0.46SS*.  trans-69.598.6-178.1-177.80000108.6D241D241-V243 PolarHBondContact O-N 2.69Å
244Q77.9Confident85.4Confident164 Ų16487.7 Ų87.777%0.76650%0.495SS*.  trans-75.7132.5170.9-65.7-176.2-4.400109.2L242L242-Q244 PolarHBondContact O-N 3.18Å
245A82.5Confident85.5Confident48 Ų4890.7 Ų90.740%0.39751%0.514SS..  trans-64.8142.9170.100000109.6T247A245-T247 CarbonylContact C-O 3.47Å; A245-T247 PolarHBondContact O-N 2.98Å
246E86.6Confident85.5Confident207 Ų20794 Ų9497%0.96754%0.542SS*.SBendtrans-63.9-29.4175.7-64.6-174.7163.400111.8
247T90.2Very high85.7Confident111 Ų111100.4 Ų100.468%0.68157%0.569SS**SBendtrans-83.1151.3169.852.40000110.2A245 S249A245-T247 CarbonylContact C-O 3.47Å; A245-T247 PolarHBondContact O-N 2.98Å; T247-S249 VanDerWaalsContact C-N 3.34Å; T247-S249 PolarHBondContact O-N 3.41Å
248K83.8Confident85.9Confident212 Ų212100.9 Ų100.992%0.92257%0.565SS**  trans-5896.1176.1-73.7-176.9176.2-178.70110.2
249S78.4Confident86.1Confident79 Ų79102.6 Ų102.655%0.55257%0.569SS**  trans-90.4106.2170.756.40000108.6T247T247-S249 VanDerWaalsContact C-N 3.34Å; T247-S249 PolarHBondContact O-N 3.41Å
250T83.2Confident86.1Confident126 Ų126105.3 Ų105.377%0.77358%0.576SS**  trans-93.4127.3168.951.40000109S252T250-S252 PolarHBondContact O-N 3.25Å
251V83.3Confident86.4Confident88 Ų88111.6 Ų111.653%0.53361%0.606SS.*  trans-74.6112.2170.2-173.10000107.6L253 F262V251-L253 HydrophobicContact CG1-CD1 4.38Å; V251-L253 HydrophobicContact CG1-CD2 3.85Å; V251-L253 HydrophobicContact CG1-CG 3.9Å; V251-F262 HydrophobicContact CB-CE2 4.49Å; V251-F262 HydrophobicContact CB-CZ 4.35Å; V251-F262 HydrophobicContact CG1-CD2 3.97Å; V251-F262 HydrophobicContact CG1-CE1 4.43Å; V251-F262 HydrophobicContact CG1-CE2 3.63Å; V251-F262 HydrophobicContact CG1-CG 4.5Å; V251-F262 HydrophobicContact CG1-CZ 3.89Å; V251-F262 HydrophobicContact CG2-CE2 4.07Å; V251-F262 HydrophobicContact CG2-CZ 3.74Å
252S85.6Confident86.5Confident90 Ų90112.4 Ų112.463%0.62961%0.607SS**  trans-88.6111.1175.3-171.70000109.1T250T250-S252 PolarHBondContact O-N 3.25Å
253L89.5Confident86.8Confident67 Ų67111.5 Ų111.535%0.35161%0.609SS.*  trans-112.7114.2176.1-59170.6000108.1V251 E258 L259 F262V251-L253 HydrophobicContact CG1-CD1 4.38Å; V251-L253 HydrophobicContact CG1-CD2 3.85Å; V251-L253 HydrophobicContact CG1-CG 3.9Å; L253-E258 HydrophobicContact CD2-CB 4.01Å; L253-L259 HydrophobicContact CD1-CB 4.17Å; L253-L259 HydrophobicContact CD1-CG 4.19Å; L253-F262 HydrophobicContact CD2-CB 4.14Å; L253-F262 HydrophobicContact CD2-CG 4.34Å
254N92.2Very high87.3Confident140 Ų140105.8 Ų105.875%0.74958%0.58SS**  trans-96.5-28.4-177.6-67.6-28.1000111.7E258N254-E258 PolarHBondContact N-OE2 3.29Å
255T92.6Very high87.9Confident67 Ų6799 Ų9941%0.41155%0.554SS.*SBendtrans-115.3140.7-173.8-450000111.2K257 E258 L259T255-K257 HydrophobicContact CG2-CB 4.17Å; T255-K257 HydrophobicContact CG2-CG 4.48Å; T255-K257 PolarHBondContact O-N 2.97Å; T255-K257 VanDerWaalsContact O-N 3.12Å; T255-E258 WeakPolarHBondContact CB-OE1 3.29Å; T255-E258 PolarHBondContact N-OE2 3.43Å; T255-E258 WeakPolarHBondContact O-CB 2.84Å; T255-E258 PolarHBondContact O-N 2.94Å; T255-E258 PolarHBondContact OG1-OE1 3.43Å; T255-L259 PolarHBondContact O-N 3.26Å
256A92.1Very high88.1Confident71 Ų7199.7 Ų99.759%0.58755%0.549SS*.Hα-helixtrans-57.4-28.617500000113.6L259 M260A256-L259 PolarHBondContact O-N 3.43Å; A256-M260 PolarHBondContact O-N 3.27Å
257K92.4Very high88.3Confident151 Ų15194.8 Ų94.866%0.65753%0.526SS*.Hα-helixtrans-67.9-39.1174.3-67.4-176.5178.7179.80112.5T255 L259 M260 Q261T255-K257 HydrophobicContact CG2-CB 4.17Å; T255-K257 HydrophobicContact CG2-CG 4.48Å; T255-K257 PolarHBondContact O-N 2.97Å; T255-K257 VanDerWaalsContact O-N 3.12Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 2.87Å; K257-M260 PolarHBondContact O-N 3.35Å; K257-Q261 WeakPolarHBondContact O-CB 3.37Å; K257-Q261 VanDerWaalsContact O-CG 3.3Å; K257-Q261 WeakPolarHBondContact O-CG 3.17Å; K257-Q261 PolarHBondContact O-N 3.1Å
258E91.5Very high88.4Confident70 Ų7095.6 Ų95.633%0.32752%0.52SS..Hα-helixtrans-64.2-38.9177-68.2158.9-155.900110.3L253 N254 T255 Q261 F262L253-E258 HydrophobicContact CD2-CB 4.01Å; N254-E258 PolarHBondContact N-OE2 3.29Å; T255-E258 WeakPolarHBondContact CB-OE1 3.29Å; T255-E258 PolarHBondContact N-OE2 3.43Å; T255-E258 WeakPolarHBondContact O-CB 2.84Å; T255-E258 PolarHBondContact O-N 2.94Å; T255-E258 PolarHBondContact OG1-OE1 3.43Å; E258-Q261 PolarHBondContact O-N 3Å; E258-F262 WeakPolarHBondContact O-CB 3.45Å; E258-F262 PolarHBondContact O-N 3.19Å
259L88.7Confident88.7Confident102 Ų10290.6 Ų90.653%0.53450%0.503SS..Hα-helixtrans-61.5-48.7176.9-170.5160.3000112.1L253 T255 A256 K257 Q261 F262 A263L253-L259 HydrophobicContact CD1-CB 4.17Å; L253-L259 HydrophobicContact CD1-CG 4.19Å; T255-L259 PolarHBondContact O-N 3.26Å; A256-L259 PolarHBondContact O-N 3.43Å; K257-L259 VanDerWaalsContact C-N 3.3Å; K257-L259 PolarHBondContact O-N 2.87Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.43Å; L259-F262 PolarHBondContact O-N 2.77Å; L259-A263 PolarHBondContact O-N 2.82Å
260M87.5Confident89.3Confident137 Ų13787.1 Ų87.168%0.67548%0.479SS*.Hα-helixtrans-64.3-38.6177.4-71-173.3-11300112.3A256 K257 G264A256-M260 PolarHBondContact O-N 3.27Å; K257-M260 PolarHBondContact O-N 3.35Å; M260-G264 PolarHBondContact O-N 3.21Å
261Q90.5Very high89.8Confident141 Ų14183.8 Ų83.866%0.65945%0.454SS*.Hα-helixtrans-70.4-33.8177.1-73.9176.8-6.700112.6K257 E258 L259 G265K257-Q261 WeakPolarHBondContact O-CB 3.37Å; K257-Q261 VanDerWaalsContact O-CG 3.3Å; K257-Q261 WeakPolarHBondContact O-CG 3.17Å; K257-Q261 PolarHBondContact O-N 3.1Å; E258-Q261 PolarHBondContact O-N 3Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.43Å; Q261-G265 WeakPolarHBondContact O-CA 3.48Å; Q261-G265 PolarHBondContact O-N 2.97Å
262F89Confident90.3Very high75 Ų7585.9 Ų85.933%0.32946%0.458SS..Hα-helixtrans-65.3-52.5178.8-177.8-97.3000110.8V251 L253 E258 L259 G264 G265 E266V251-F262 HydrophobicContact CB-CE2 4.49Å; V251-F262 HydrophobicContact CB-CZ 4.35Å; V251-F262 HydrophobicContact CG1-CD2 3.97Å; V251-F262 HydrophobicContact CG1-CE1 4.43Å; V251-F262 HydrophobicContact CG1-CE2 3.63Å; V251-F262 HydrophobicContact CG1-CG 4.5Å; V251-F262 HydrophobicContact CG1-CZ 3.89Å; V251-F262 HydrophobicContact CG2-CE2 4.07Å; V251-F262 HydrophobicContact CG2-CZ 3.74Å; L253-F262 HydrophobicContact CD2-CB 4.14Å; L253-F262 HydrophobicContact CD2-CG 4.34Å; E258-F262 WeakPolarHBondContact O-CB 3.45Å; E258-F262 PolarHBondContact O-N 3.19Å; L259-F262 PolarHBondContact O-N 2.77Å; F262-G264 PolarHBondContact O-N 3.36Å; F262-G265 PolarHBondContact O-N 3.15Å; F262-G265 VanDerWaalsContact O-N 3.15Å; F262-E266 HydrophobicContact CE1-CG 4.13Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.41Å; F262-E266 WeakPolarHBondContact CE1-OE2 3.47Å; F262-E266 HydrophobicContact CE2-CG 4.36Å; F262-E266 VanDerWaalsContact CZ-CD 3.41Å; F262-E266 HydrophobicContact CZ-CG 4.04Å; F262-E266 WeakPolarHBondContact CZ-OE1 2.97Å; F262-E266 PolarHBondContact O-N 3.06Å
263A86.8Confident90.5Very high50 Ų5086.2 Ų86.241%0.41345%0.449SS..Hα-helixtrans-58.8-49.5178.600000112.1L259 G265 E267L259-A263 PolarHBondContact O-N 2.82Å; A263-G265 VanDerWaalsContact C-N 3.3Å; A263-G265 PolarHBondContact O-N 3.44Å; A263-E267 PolarHBondContact O-N 2.92Å
264G89.8Confident90.6Very high26 Ų2683 Ų8327%0.26843%0.432SS..Hα-helixtrans-71-23.5177.800000114M260 F262 K268M260-G264 PolarHBondContact O-N 3.21Å; F262-G264 PolarHBondContact O-N 3.36Å; G264-K268 WeakPolarHBondContact O-CB 2.89Å; G264-K268 WeakPolarHBondContact O-CD 3.41Å; G264-K268 WeakPolarHBondContact O-CG 3.49Å; G264-K268 PolarHBondContact O-N 3.4Å
265G89.7Confident90.7Very high22 Ų2281 Ų8123%0.22742%0.417CS..Hα-helixtrans-75.4-42.6176.400000112Q261 F262 A263 K268 N269Q261-G265 WeakPolarHBondContact O-CA 3.48Å; Q261-G265 PolarHBondContact O-N 2.97Å; F262-G265 PolarHBondContact O-N 3.15Å; F262-G265 VanDerWaalsContact O-N 3.15Å; A263-G265 VanDerWaalsContact C-N 3.3Å; A263-G265 PolarHBondContact O-N 3.44Å; G265-K268 PolarHBondContact O-N 2.84Å; G265-N269 WeakPolarHBondContact O-CB 3.38Å; G265-N269 PolarHBondContact O-N 3.39Å; G265-N269 PolarHBondContact O-ND2 3.45Å; G265-N269 PolarHBondContact O-OD1 3.27Å
266E87.2Confident90.6Very high61 Ų6179.1 Ų79.129%0.28541%0.41SS..Hα-helixtrans-59.5-47.8174.2-74-169.7143.400111.5F262 K268 N269 I270F262-E266 HydrophobicContact CE1-CG 4.13Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.41Å; F262-E266 WeakPolarHBondContact CE1-OE2 3.47Å; F262-E266 HydrophobicContact CE2-CG 4.36Å; F262-E266 VanDerWaalsContact CZ-CD 3.41Å; F262-E266 HydrophobicContact CZ-CG 4.04Å; F262-E266 WeakPolarHBondContact CZ-OE1 2.97Å; F262-E266 PolarHBondContact O-N 3.06Å; E266-K268 PolarHBondContact O-N 2.82Å; E266-N269 PolarHBondContact O-N 3.45Å; E266-I270 VanDerWaalsContact O-CG1 3.29Å; E266-I270 WeakPolarHBondContact O-CG1 3.26Å; E266-I270 PolarHBondContact O-N 3.08Å
267E90.2Very high90.6Very high104 Ų10475.9 Ų75.949%0.48638%0.383SS..Hα-helixtrans-59.5-44.9177.2-71.8-179175.300112.2A263 I270 E271A263-E267 PolarHBondContact O-N 2.92Å; E267-I270 PolarHBondContact O-N 2.68Å; E267-E271 WeakPolarHBondContact O-CB 3.25Å; E267-E271 PolarHBondContact O-N 3.49Å
268K92.3Very high90.6Very high129 Ų12972.7 Ų72.756%0.56137%0.37SS*.Hα-helixtrans-64.3-41.9177.6-75.1171.9-173.8179.20112.5G264 G265 E266 I270 E271 E272G264-K268 WeakPolarHBondContact O-CB 2.89Å; G264-K268 WeakPolarHBondContact O-CD 3.41Å; G264-K268 WeakPolarHBondContact O-CG 3.49Å; G264-K268 PolarHBondContact O-N 3.4Å; G265-K268 PolarHBondContact O-N 2.84Å; E266-K268 PolarHBondContact O-N 2.82Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 3.44Å; K268-E271 PolarHBondContact O-N 2.88Å; K268-E272 WeakPolarHBondContact O-CB 3.31Å; K268-E272 VanDerWaalsContact O-CG 3.3Å; K268-E272 WeakPolarHBondContact O-CG 3.47Å; K268-E272 PolarHBondContact O-N 2.91Å
269N90.1Very high90.6Very high106 Ų10676.3 Ų76.357%0.56739%0.387SS*.Hα-helixtrans-62.7-42.2178.8-70.1-14.9000111.1G265 E266 F273G265-N269 WeakPolarHBondContact O-CB 3.38Å; G265-N269 PolarHBondContact O-N 3.39Å; G265-N269 PolarHBondContact O-ND2 3.45Å; G265-N269 PolarHBondContact O-OD1 3.27Å; E266-N269 PolarHBondContact O-N 3.45Å; N269-F273 WeakPolarHBondContact O-CB 3.42Å; N269-F273 PolarHBondContact O-N 3.28Å; N269-F273 VanDerWaalsContact O-N 3.08Å
270I91.1Very high90.6Very high6 Ų675.8 Ų75.83%0.03138%0.384CS..Hα-helixtrans-66.3-45.5175.6-62.3167.1000110L242 E266 E267 K268 E272 F273 V274 L294 F298L242-I270 HydrophobicContact CD2-CD1 4.03Å; L242-I270 HydrophobicContact CD2-CG1 4.37Å; L242-I270 HydrophobicContact CG-CD1 4.43Å; E266-I270 VanDerWaalsContact O-CG1 3.29Å; E266-I270 WeakPolarHBondContact O-CG1 3.26Å; E266-I270 PolarHBondContact O-N 3.08Å; E267-I270 PolarHBondContact O-N 2.68Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 3.44Å; I270-E272 PolarHBondContact O-N 2.99Å; I270-F273 PolarHBondContact O-N 3.46Å; I270-V274 HydrophobicContact CG2-CG2 4.29Å; I270-V274 VanDerWaalsContact O-CG2 3.32Å; I270-V274 WeakPolarHBondContact O-CG2 3.32Å; I270-V274 PolarHBondContact O-N 3.37Å; I270-L294 HydrophobicContact CD1-CB 3.95Å; I270-L294 HydrophobicContact CD1-CD1 3.87Å; I270-F298 HydrophobicContact CB-CD2 4.22Å; I270-F298 HydrophobicContact CB-CE2 4.16Å; I270-F298 HydrophobicContact CG2-CD2 3.53Å; I270-F298 HydrophobicContact CG2-CE2 3.96Å
271E93Very high90.7Very high56 Ų5670.6 Ų70.626%0.26237%0.366SS..Hα-helixtrans-60.6-45178.5-173.6172.2-158.600111.7E267 K268 F273 V274 K275 F298 K301 Y302E267-E271 WeakPolarHBondContact O-CB 3.25Å; E267-E271 PolarHBondContact O-N 3.49Å; K268-E271 PolarHBondContact O-N 2.88Å; E271-F273 VanDerWaalsContact C-N 3.34Å; E271-F273 PolarHBondContact O-N 3.19Å; E271-V274 PolarHBondContact O-N 3.25Å; E271-K275 WeakPolarHBondContact O-CB 3.49Å; E271-K275 PolarHBondContact O-N 3.22Å; E271-F298 HydrophobicContact CB-CD1 4.08Å; E271-F298 HydrophobicContact CB-CE1 3.75Å; E271-F298 HydrophobicContact CB-CE2 4.39Å; E271-F298 HydrophobicContact CB-CZ 3.92Å; E271-F298 HydrophobicContact CG-CD1 4.03Å; E271-F298 HydrophobicContact CG-CE1 3.87Å; E271-K301 IonicContact OE1-NZ 3.28Å; E271-K301 PolarHBondContact OE1-NZ 2.78Å; E271-Y302 HydrophobicContact CG-CE2 4.41Å; E271-Y302 WeakPolarHBondContact CG-OH 3.4Å; E271-Y302 PolarHBondContact OE1-OH 2.96Å
272E93.5Very high90.7Very high132 Ų13263.9 Ų63.962%0.61733%0.334SS*.Hα-helixtrans-60.9-41.9176.7-76.7178.8-171.500111.9K268 I270 K275 G276K268-E272 WeakPolarHBondContact O-CB 3.31Å; K268-E272 VanDerWaalsContact O-CG 3.3Å; K268-E272 WeakPolarHBondContact O-CG 3.47Å; K268-E272 PolarHBondContact O-N 2.91Å; I270-E272 PolarHBondContact O-N 2.99Å; E272-K275 PolarHBondContact O-N 3.35Å; E272-G276 PolarHBondContact O-N 3.34Å
273F90.6Very high90.8Very high97 Ų9762.9 Ų62.943%0.42533%0.332SS..Hα-helixtrans-64.2-49.7177.4-179.5-111.6000112F236 F240 N269 I270 E271 K275 G276 L277F236-F273 HydrophobicContact CZ-CZ 4.46Å; F240-F273 HydrophobicContact CD2-CE1 4.15Å; F240-F273 HydrophobicContact CE2-CD1 4.24Å; F240-F273 AromaticContact CE2-CE1 3.36Å; F240-F273 HydrophobicContact CE2-CE1 3.36Å; F240-F273 HydrophobicContact CE2-CZ 4.15Å; F240-F273 HydrophobicContact CZ-CD1 4.13Å; F240-F273 AromaticContact CZ-CE1 3.69Å; F240-F273 HydrophobicContact CZ-CE1 3.69Å; N269-F273 WeakPolarHBondContact O-CB 3.42Å; N269-F273 PolarHBondContact O-N 3.28Å; N269-F273 VanDerWaalsContact O-N 3.08Å; I270-F273 PolarHBondContact O-N 3.46Å; E271-F273 VanDerWaalsContact C-N 3.34Å; E271-F273 PolarHBondContact O-N 3.19Å; F273-K275 VanDerWaalsContact C-N 3.33Å; F273-K275 PolarHBondContact O-N 2.73Å; F273-G276 PolarHBondContact O-N 3.14Å; F273-G276 VanDerWaalsContact O-N 3.15Å; F273-L277 HydrophobicContact CE1-CD1 4.32Å; F273-L277 PolarHBondContact O-N 3.47Å; F273-L277 VanDerWaalsContact O-N 3.17Å
274V91.8Very high91Very high0 Ų060.5 Ų60.50%031%0.313CS..Hα-helixtrans-65.8-37.8178.8-179.80000110.9F240 I270 E271 G276 L277 H278 F298 L299 Y302 M304F240-V274 HydrophobicContact CE1-CG2 4.43Å; F240-V274 HydrophobicContact CZ-CG2 4.37Å; I270-V274 HydrophobicContact CG2-CG2 4.29Å; I270-V274 VanDerWaalsContact O-CG2 3.32Å; I270-V274 WeakPolarHBondContact O-CG2 3.32Å; I270-V274 PolarHBondContact O-N 3.37Å; E271-V274 PolarHBondContact O-N 3.25Å; V274-G276 VanDerWaalsContact C-N 3.32Å; V274-G276 PolarHBondContact O-N 2.99Å; V274-L277 WeakPolarHBondContact O-CB 3.48Å; V274-L277 PolarHBondContact O-N 3.28Å; V274-H278 PolarHBondContact O-N 3.24Å; V274-F298 HydrophobicContact CB-CB 4.15Å; V274-F298 HydrophobicContact CG1-CB 4.04Å; V274-F298 HydrophobicContact CG2-CB 4.07Å; V274-L299 HydrophobicContact CG1-CD2 4.11Å; V274-Y302 HydrophobicContact CB-CD2 4.32Å; V274-Y302 HydrophobicContact CB-CE2 4.37Å; V274-Y302 HydrophobicContact CG1-CD2 3.52Å; V274-Y302 HydrophobicContact CG1-CE2 4.05Å; V274-Y302 HydrophobicContact CG1-CG 4.49Å; V274-M304 HydrophobicContact CG1-CE 3.26Å
275K93.9Very high91.1Very high99 Ų9959.2 Ų59.243%0.4330%0.3SS..Hα-helixtrans-63.4-37173.2-174.3179.3179.1-177.70111.9E271 E272 F273 H278 Q279 Y302E271-K275 WeakPolarHBondContact O-CB 3.49Å; E271-K275 PolarHBondContact O-N 3.22Å; E272-K275 PolarHBondContact O-N 3.35Å; F273-K275 VanDerWaalsContact C-N 3.33Å; F273-K275 PolarHBondContact O-N 2.73Å; K275-H278 PolarHBondContact O-N 3.33Å; K275-Q279 VanDerWaalsContact O-CG 3.31Å; K275-Q279 WeakPolarHBondContact O-CG 3.23Å; K275-Q279 PolarHBondContact O-N 3.45Å; K275-Y302 HydrophobicContact CB-CE2 4.31Å; K275-Y302 HydrophobicContact CG-CE1 4.49Å
276G91.8Very high91.1Very high26 Ų2658.2 Ų58.227%0.26829%0.289SS..Hα-helixtrans-60.3-42.8172.800000112.3E272 F273 V274 Q279 L280E272-G276 PolarHBondContact O-N 3.34Å; F273-G276 PolarHBondContact O-N 3.14Å; F273-G276 VanDerWaalsContact O-N 3.15Å; V274-G276 VanDerWaalsContact C-N 3.32Å; V274-G276 PolarHBondContact O-N 2.99Å; G276-Q279 PolarHBondContact O-N 3.05Å; G276-L280 WeakPolarHBondContact O-CG 3.42Å; G276-L280 PolarHBondContact O-N 3.22Å
277L90.9Very high91.3Very high3 Ų355.3 Ų55.32%0.01628%0.276CS..Hα-helixtrans-63.7-42.1174.5-60.3176.8000111.9F236 F240 F273 V274 Q279 L280 G281 I282 V285 M304 L330F236-L277 HydrophobicContact CE2-CD1 4.42Å; F236-L277 HydrophobicContact CZ-CD1 4.48Å; F236-L277 HydrophobicContact CZ-CD2 4.23Å; F240-L277 HydrophobicContact CE2-CD1 3.95Å; F240-L277 HydrophobicContact CZ-CD1 3.84Å; F273-L277 HydrophobicContact CE1-CD1 4.32Å; F273-L277 PolarHBondContact O-N 3.47Å; F273-L277 VanDerWaalsContact O-N 3.17Å; V274-L277 WeakPolarHBondContact O-CB 3.48Å; V274-L277 PolarHBondContact O-N 3.28Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 3.48Å; L277-L280 PolarHBondContact O-N 3.49Å; L277-G281 PolarHBondContact O-N 3.5Å; L277-I282 HydrophobicContact CB-CD1 4.09Å; L277-I282 HydrophobicContact CD2-CD1 3.71Å; L277-I282 HydrophobicContact CG-CD1 4.5Å; L277-I282 PolarHBondContact O-N 3.04Å; L277-V285 HydrophobicContact CD1-CG2 4.27Å; L277-M304 HydrophobicContact CB-SD 4.44Å; L277-L330 HydrophobicContact CD2-CD2 3.73Å
278H91.8Very high91.1Very high85 Ų8551.4 Ų51.439%0.39426%0.263SS..Hα-helixtrans-63.1-39.7176.7-174.770.5000112.2V274 K275 L280 G281 Y302 M304V274-H278 PolarHBondContact O-N 3.24Å; K275-H278 PolarHBondContact O-N 3.33Å; H278-L280 VanDerWaalsContact C-N 3.27Å; H278-L280 PolarHBondContact O-N 3.01Å; H278-G281 WeakPolarHBondContact O-CA 3.16Å; H278-G281 PolarHBondContact O-N 3.28Å; H278-Y302 HydrophobicContact CB-CD1 4.3Å; H278-Y302 HydrophobicContact CB-CG 4.36Å; H278-M304 HydrophobicContact CB-CE 4.26Å
279Q92.6Very high90.8Very high145 Ų14546.2 Ų46.268%0.67825%0.246SC*.Hα-helixtrans-63.8-30.3176.1-75.1174.2-4.500113.1K275 G276 L277 G281K275-Q279 VanDerWaalsContact O-CG 3.31Å; K275-Q279 WeakPolarHBondContact O-CG 3.23Å; K275-Q279 PolarHBondContact O-N 3.45Å; G276-Q279 PolarHBondContact O-N 3.05Å; L277-Q279 VanDerWaalsContact C-N 3.35Å; L277-Q279 PolarHBondContact O-N 3.48Å; Q279-G281 PolarHBondContact O-N 3.19Å
280L89Confident90.7Very high91 Ų9148.1 Ų48.148%0.47625%0.25SC..THydrogen-bonded Turntrans-73.7-8.2171.9-64.9170.2000112.9G276 L277 H278 I282 L330G276-L280 WeakPolarHBondContact O-CG 3.42Å; G276-L280 PolarHBondContact O-N 3.22Å; L277-L280 PolarHBondContact O-N 3.49Å; H278-L280 VanDerWaalsContact C-N 3.27Å; H278-L280 PolarHBondContact O-N 3.01Å; L280-I282 HydrophobicContact CB-CD1 3.97Å; L280-I282 HydrophobicContact CB-CG1 4.12Å; L280-I282 HydrophobicContact CD1-CD1 4.07Å; L280-L330 HydrophobicContact CD1-CD1 3.68Å
281G88.9Confident90.6Very high28 Ų2848.9 Ų48.929%0.28925%0.254SS..THydrogen-bonded Turntrans76.424.8-177.700000113.5K232 L277 H278 Q279K232-G281 WeakPolarHBondContact CB-O 3.35Å; K232-G281 WeakPolarHBondContact CD-O 3.48Å; L277-G281 PolarHBondContact O-N 3.5Å; H278-G281 WeakPolarHBondContact O-CA 3.16Å; H278-G281 PolarHBondContact O-N 3.28Å; Q279-G281 PolarHBondContact O-N 3.19Å
282I90.6Very high90.4Very high0 Ų046.5 Ų46.50%024%0.244CC..  trans-74.5129.9176.2-61.5160.1000108.3V234 L277 L280 V284 V285 V332V234-I282 HydrophobicContact CB-CD1 4.35Å; V234-I282 HydrophobicContact CB-CG2 4.25Å; V234-I282 HydrophobicContact CG2-CD1 3.39Å; V234-I282 HydrophobicContact CG2-CG1 3.77Å; V234-I282 HydrophobicContact CG2-CG2 4Å; L277-I282 HydrophobicContact CB-CD1 4.09Å; L277-I282 HydrophobicContact CD2-CD1 3.71Å; L277-I282 HydrophobicContact CG-CD1 4.5Å; L277-I282 PolarHBondContact O-N 3.04Å; L280-I282 HydrophobicContact CB-CD1 3.97Å; L280-I282 HydrophobicContact CB-CG1 4.12Å; L280-I282 HydrophobicContact CD1-CD1 4.07Å; I282-V284 WeakPolarHBondContact CG2-O 3.49Å; I282-V285 HydrophobicContact CG2-CG2 4.22Å; I282-V332 HydrophobicContact CD1-CG2 4.44Å; I282-V332 HydrophobicContact CG1-CG2 4.28Å
283N90.9Very high90.2Very high54 Ų5447.1 Ų47.129%0.28925%0.252SS..  trans-108.7-24.8-179.1-64.1-21.2000112.1V228 K232 M304 L305V228-N283 HydrophobicContact CG1-CB 3.74Å; K232-N283 PolarHBondContact O-N 3.39Å; N283-M304 CarbonylContact O-C 3.5Å; N283-M304 WeakPolarHBondContact O-CA 3.37Å; N283-L305 PolarHBondContact O-N 3.37Å
284V91.2Very high90.2Very high0 Ų045.8 Ų45.80%025%0.249CC..EExtended strand (participates in β ladder)trans-129.4128.7-177-1780000109.9V228 A231 K232 V233 V234 I282 V286 L305 V338 F351V228-V284 HydrophobicContact CB-CG2 4.42Å; V228-V284 HydrophobicContact CG1-CG2 4.34Å; V228-V284 HydrophobicContact CG2-CG2 4.5Å; A231-V284 HydrophobicContact CB-CG2 3.59Å; K232-V284 PolarHBondContact O-N 2.81Å; K232-V284 VanDerWaalsContact O-N 3.08Å; V233-V284 WeakPolarHBondContact CA-O 3.49Å; V233-V284 HydrophobicContact CG1-CB 4.41Å; V233-V284 HydrophobicContact CG1-CG1 4.26Å; V233-V284 HydrophobicContact CG2-CB 4.13Å; V234-V284 PolarHBondContact N-O 2.9Å; I282-V284 WeakPolarHBondContact CG2-O 3.49Å; V284-V286 HydrophobicContact CG1-CG2 4.19Å; V284-L305 CarbonylContact C-O 3.59Å; V284-L305 WeakPolarHBondContact CA-O 3.12Å; V284-L305 HydrophobicContact CG1-CB 4.46Å; V284-L305 HydrophobicContact CG1-CD2 4.22Å; V284-L305 HydrophobicContact CG2-CB 4.13Å; V284-L305 HydrophobicContact CG2-CD2 4.2Å; V284-V338 HydrophobicContact CG2-CB 4.26Å; V284-V338 HydrophobicContact CG2-CG2 4.18Å; V284-F351 HydrophobicContact CG1-CE1 4.11Å; V284-F351 HydrophobicContact CG1-CZ 4.38Å
285V91.1Very high90.1Very high0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-115115.7177.4177.40000108.4F236 F240 L277 I282 T287 L299 L305 G306 V307F236-V285 HydrophobicContact CD2-CG1 3.74Å; F236-V285 HydrophobicContact CE2-CG1 3.74Å; F240-V285 HydrophobicContact CD2-CG1 4.3Å; F240-V285 HydrophobicContact CE2-CG1 4.11Å; F240-V285 HydrophobicContact CZ-CG1 4.41Å; L277-V285 HydrophobicContact CD1-CG2 4.27Å; I282-V285 HydrophobicContact CG2-CG2 4.22Å; V285-T287 HydrophobicContact CG1-CG2 3.95Å; V285-L299 HydrophobicContact CG2-CD2 4.1Å; V285-L305 PolarHBondContact N-O 3.39Å; V285-G306 WeakPolarHBondContact O-CA 3.28Å; V285-V307 PolarHBondContact O-N 3.03Å
286V91.4Very high90.1Very high0 Ų042.6 Ų42.60%024%0.236CC..EExtended strand (participates in β ladder)trans-104132.4176.1-177.40000109V233 V234 V235 F236 V284 V307 V309 L318 F351V233-V286 HydrophobicContact CG1-CG2 3.73Å; V234-V286 PolarHBondContact O-N 3.46Å; V235-V286 CarbonylContact C-O 3.47Å; V235-V286 WeakPolarHBondContact CA-O 3.33Å; V235-V286 HydrophobicContact CG1-CB 4.4Å; V235-V286 HydrophobicContact CG1-CG1 4.36Å; V235-V286 HydrophobicContact CG2-CB 4.26Å; F236-V286 PolarHBondContact N-O 3.48Å; V284-V286 HydrophobicContact CG1-CG2 4.19Å; V286-V307 CarbonylContact C-O 3.47Å; V286-V307 VanDerWaalsContact CA-O 3.29Å; V286-V307 WeakPolarHBondContact CA-O 3.25Å; V286-V307 HydrophobicContact CG2-CB 4.37Å; V286-V309 HydrophobicContact CG1-CB 4.38Å; V286-V309 HydrophobicContact CG1-CG2 3.73Å; V286-L318 HydrophobicContact CG1-CD1 4.48Å; V286-L318 HydrophobicContact CG1-CD2 4.39Å; V286-L318 HydrophobicContact CG2-CD1 4.44Å; V286-L318 HydrophobicContact CG2-CD2 4.29Å; V286-F351 HydrophobicContact CG2-CE1 4.04Å; V286-F351 HydrophobicContact CG2-CZ 3.87Å
287T90.3Very high90.1Very high0 Ų047 Ų470%025%0.25CC..EExtended strand (participates in β ladder)trans-129.3138.6-177.163.50000111.3F236 F240 V285 G289 L291 V307 V309F236-T287 HydrophobicContact CB-CG2 4.25Å; F236-T287 HydrophobicContact CD2-CG2 4.24Å; F236-T287 CarbonylContact O-C 3.59Å; F236-T287 WeakPolarHBondContact O-CA 3.24Å; F240-T287 HydrophobicContact CB-CG2 3.55Å; F240-T287 HydrophobicContact CD2-CG2 4.32Å; F240-T287 HydrophobicContact CG-CG2 4.13Å; V285-T287 HydrophobicContact CG1-CG2 3.95Å; T287-G289 VanDerWaalsContact C-N 3.32Å; T287-L291 HydrophobicContact CG2-CD2 3.52Å; T287-L291 WeakPolarHBondContact OG1-CD2 3.38Å; T287-L291 WeakPolarHBondContact OG1-CG 3.43Å; T287-V307 PolarHBondContact N-O 3.42Å; T287-V309 PolarHBondContact O-N 3.14Å
288G87.1Confident90.2Very high22 Ų2247.5 Ų47.523%0.22725%0.252CS..SBendtrans-78.6-16.9174.800000114.1F236 V309F236-G288 PolarHBondContact O-N 3.22Å; G288-V309 WeakPolarHBondContact CA-O 3.4Å
289G85.2Confident90.2Very high20 Ų2043.4 Ų43.421%0.20623%0.233CC..SBendtrans-110.4-147-172.400000113.9T287 K308T287-G289 VanDerWaalsContact C-N 3.32Å; G289-K308 WeakPolarHBondContact O-CD 3.31Å; G289-K308 VanDerWaalsContact O-CE 3.26Å; G289-K308 WeakPolarHBondContact O-CE 3.12Å; G289-K308 WeakPolarHBondContact O-CG 3.48Å
290K87.9Confident90.2Very high147 Ų14738.3 Ų38.364%0.63921%0.211SC*.PPolyproline II helixtrans-83.4149.2172.1-64.7-178.4179.2-179.70109.9F240F240-K290 PolarHBondContact N-O 3.42Å
291L88Confident90.4Very high22 Ų2239.6 Ų39.612%0.11521%0.212CC..BIsolated β-bridgetrans-101.3119.7166.4-69.5174.8000106.6A222 F240 T287 V296 K308A222-L291 HydrophobicContact CB-CD1 3.47Å; A222-L291 VanDerWaalsContact CB-CD1 3.47Å; F240-L291 HydrophobicContact CB-CD2 3.76Å; F240-L291 HydrophobicContact CD1-CD2 4.19Å; F240-L291 HydrophobicContact CG-CD2 4.29Å; T287-L291 HydrophobicContact CG2-CD2 3.52Å; T287-L291 WeakPolarHBondContact OG1-CD2 3.38Å; T287-L291 WeakPolarHBondContact OG1-CG 3.43Å; L291-V296 HydrophobicContact CB-CG2 3.97Å; L291-K308 HydrophobicContact CD1-CB 4.16Å
292G89.3Confident90.6Very high6 Ų640.1 Ų40.16%0.06221%0.206CC..PPolyproline II helixtrans-75.1145.4177.400000112.1F240 L294 H295 V296F240-G292 PolarHBondContact O-N 3.48Å; G292-L294 PolarHBondContact O-N 3.03Å; G292-H295 WeakPolarHBondContact O-CA 3.45Å; G292-H295 VanDerWaalsContact O-CB 3.32Å; G292-H295 WeakPolarHBondContact O-CB 3.48Å; G292-H295 PolarHBondContact O-N 3.47Å; G292-V296 WeakPolarHBondContact O-CG2 3.33Å; G292-V296 PolarHBondContact O-N 3.32Å
293D89.7Confident90.6Very high144 Ų14447.7 Ų47.777%0.7724%0.239SC*.Hα-helixtrans-61-39.9-173.3-60.9-31.2000113.2H295 V296 H297D293-H295 VanDerWaalsContact C-N 3.3Å; D293-H295 PolarHBondContact O-N 3.08Å; D293-V296 PolarHBondContact O-N 2.83Å; D293-H297 PolarHBondContact O-N 3.16Å
294L90.3Very high90.6Very high69 Ų6945.1 Ų45.136%0.36123%0.225SC..Hα-helixtrans-62.1-39.8174.8-68.7176.8000111.6I270 G292 H297 F298I270-L294 HydrophobicContact CD1-CB 3.95Å; I270-L294 HydrophobicContact CD1-CD1 3.87Å; G292-L294 PolarHBondContact O-N 3.03Å; L294-H297 WeakPolarHBondContact O-CB 3.36Å; L294-H297 PolarHBondContact O-N 3.08Å; L294-F298 WeakPolarHBondContact O-CD2 3.2Å; L294-F298 PolarHBondContact O-N 3.43Å; L294-F298 VanDerWaalsContact O-N 3.11Å
295H91.1Very high90.6Very high13 Ų1345.1 Ų45.16%0.0623%0.225CC..Hα-helixtrans-65.6-43.8177.3-67.580.9000110.7F240 G292 D293 H297 F298 L299F240-H295 HydrophobicContact CD1-CB 3.56Å; F240-H295 AromaticContact CD1-CD2 3.59Å; F240-H295 AromaticContact CD1-CG 3.77Å; F240-H295 HydrophobicContact CE1-CB 3.67Å; F240-H295 AromaticContact CE1-CD2 3.54Å; F240-H295 AromaticContact CE1-CG 3.94Å; G292-H295 WeakPolarHBondContact O-CA 3.45Å; G292-H295 VanDerWaalsContact O-CB 3.32Å; G292-H295 WeakPolarHBondContact O-CB 3.48Å; G292-H295 PolarHBondContact O-N 3.47Å; D293-H295 VanDerWaalsContact C-N 3.3Å; D293-H295 PolarHBondContact O-N 3.08Å; H295-H297 VanDerWaalsContact C-N 3.31Å; H295-H297 PolarHBondContact O-N 3.17Å; H295-F298 PolarHBondContact O-N 3Å; H295-L299 WeakPolarHBondContact O-CB 3.32Å; H295-L299 VanDerWaalsContact O-CG 3.25Å; H295-L299 WeakPolarHBondContact O-CG 3.28Å; H295-L299 PolarHBondContact O-N 3.14Å
296V92Very high90.6Very high19 Ų1945.1 Ų45.112%0.11523%0.225CC..Hα-helixtrans-59.5-42.1175175.30000111.1A222 T223 L291 G292 D293 F298 L299 N300A222-V296 HydrophobicContact CB-CG1 4.35Å; A222-V296 HydrophobicContact CB-CG2 3.87Å; A222-V296 WeakPolarHBondContact O-CG1 3.38Å; T223-V296 HydrophobicContact CG2-CG1 4.32Å; L291-V296 HydrophobicContact CB-CG2 3.97Å; G292-V296 WeakPolarHBondContact O-CG2 3.33Å; G292-V296 PolarHBondContact O-N 3.32Å; D293-V296 PolarHBondContact O-N 2.83Å; V296-F298 PolarHBondContact O-N 2.97Å; V296-L299 PolarHBondContact O-N 3.29Å; V296-N300 PolarHBondContact O-N 3.42Å
297H92.5Very high90.5Very high118 Ų11845.1 Ų45.155%0.54623%0.225SC..Hα-helixtrans-57.9-47.8175.9179.869.2000112.2D293 L294 H295 N300 K301D293-H297 PolarHBondContact O-N 3.16Å; L294-H297 WeakPolarHBondContact O-CB 3.36Å; L294-H297 PolarHBondContact O-N 3.08Å; H295-H297 VanDerWaalsContact C-N 3.31Å; H295-H297 PolarHBondContact O-N 3.17Å; H297-N300 PolarHBondContact O-N 3.43Å; H297-K301 PolarHBondContact O-N 3.1Å
298F92.7Very high90.6Very high14 Ų1449.7 Ų49.76%0.06125%0.245CC..Hα-helixtrans-70.2-35.6177.2-69.4-64.8000112.7I270 E271 V274 L294 H295 V296 N300 K301 Y302I270-F298 HydrophobicContact CB-CD2 4.22Å; I270-F298 HydrophobicContact CB-CE2 4.16Å; I270-F298 HydrophobicContact CG2-CD2 3.53Å; I270-F298 HydrophobicContact CG2-CE2 3.96Å; E271-F298 HydrophobicContact CB-CD1 4.08Å; E271-F298 HydrophobicContact CB-CE1 3.75Å; E271-F298 HydrophobicContact CB-CE2 4.39Å; E271-F298 HydrophobicContact CB-CZ 3.92Å; E271-F298 HydrophobicContact CG-CD1 4.03Å; E271-F298 HydrophobicContact CG-CE1 3.87Å; V274-F298 HydrophobicContact CB-CB 4.15Å; V274-F298 HydrophobicContact CG1-CB 4.04Å; V274-F298 HydrophobicContact CG2-CB 4.07Å; L294-F298 WeakPolarHBondContact O-CD2 3.2Å; L294-F298 PolarHBondContact O-N 3.43Å; L294-F298 VanDerWaalsContact O-N 3.11Å; H295-F298 PolarHBondContact O-N 3Å; V296-F298 PolarHBondContact O-N 2.97Å; F298-N300 VanDerWaalsContact C-N 3.31Å; F298-N300 PolarHBondContact O-N 3.28Å; F298-K301 HydrophobicContact CD1-CD 4.12Å; F298-K301 WeakPolarHBondContact O-CB 3.49Å; F298-K301 PolarHBondContact O-N 3.5Å; F298-Y302 WeakPolarHBondContact O-CD2 3.31Å; F298-Y302 PolarHBondContact O-N 3.48Å
299L92.8Very high90.7Very high0 Ų048.8 Ų48.80%024%0.235CC..Hα-helixtrans-58.3-44.4172.5-71.7173.2000110.9T223 F240 V274 V285 H295 V296 Y302 K303 M304T223-L299 HydrophobicContact CG2-CB 4.04Å; T223-L299 HydrophobicContact CG2-CD1 4.4Å; F240-L299 HydrophobicContact CE1-CD1 4.11Å; F240-L299 HydrophobicContact CE1-CD2 4.41Å; F240-L299 HydrophobicContact CE1-CG 4.35Å; V274-L299 HydrophobicContact CG1-CD2 4.11Å; V285-L299 HydrophobicContact CG2-CD2 4.1Å; H295-L299 WeakPolarHBondContact O-CB 3.32Å; H295-L299 VanDerWaalsContact O-CG 3.25Å; H295-L299 WeakPolarHBondContact O-CG 3.28Å; H295-L299 PolarHBondContact O-N 3.14Å; V296-L299 PolarHBondContact O-N 3.29Å; L299-Y302 CarbonylContact O-C 3.52Å; L299-Y302 PolarHBondContact O-N 3.02Å; L299-K303 PolarHBondContact O-N 3.44Å; L299-M304 HydrophobicContact CB-CB 4.49Å; L299-M304 HydrophobicContact CD2-CB 3.91Å; L299-M304 HydrophobicContact CD2-CE 3.69Å; L299-M304 HydrophobicContact CD2-SD 4.27Å; L299-M304 PolarHBondContact O-N 2.79Å
300N92.8Very high90.6Very high38 Ų3851.1 Ų51.120%0.20326%0.259CS..Hα-helixtrans-63.1-43174.9-72.2-17000111.6T223 E224 V296 H297 F298 Y302 K303T223-N300 VanDerWaalsContact CA-OD1 3.31Å; T223-N300 WeakPolarHBondContact CA-OD1 3.45Å; T223-N300 WeakPolarHBondContact CB-OD1 3.41Å; T223-N300 WeakPolarHBondContact CG2-OD1 3.34Å; E224-N300 PolarHBondContact N-OD1 3.45Å; V296-N300 PolarHBondContact O-N 3.42Å; H297-N300 PolarHBondContact O-N 3.43Å; F298-N300 VanDerWaalsContact C-N 3.31Å; F298-N300 PolarHBondContact O-N 3.28Å; N300-Y302 VanDerWaalsContact C-N 3.29Å; N300-Y302 PolarHBondContact O-N 3.43Å; N300-K303 PolarHBondContact O-N 3.33Å
301K93.2Very high90.7Very high117 Ų11745.9 Ų45.951%0.50924%0.241SC..Hα-helixtrans-56.9-40.8176.1-173.3-175.9-179.1-177.70112.4E271 H297 F298 K303E271-K301 IonicContact OE1-NZ 3.28Å; E271-K301 PolarHBondContact OE1-NZ 2.78Å; H297-K301 PolarHBondContact O-N 3.1Å; F298-K301 HydrophobicContact CD1-CD 4.12Å; F298-K301 WeakPolarHBondContact O-CB 3.49Å; F298-K301 PolarHBondContact O-N 3.5Å; K301-K303 VanDerWaalsContact C-N 3.34Å
302Y92.1Very high90.7Very high39 Ų3951.6 Ų51.615%0.15327%0.265CS..THydrogen-bonded Turntrans-90.57.7178.4-67.7-67.6000114.3E271 V274 K275 H278 F298 L299 N300 M304E271-Y302 HydrophobicContact CG-CE2 4.41Å; E271-Y302 WeakPolarHBondContact CG-OH 3.4Å; E271-Y302 PolarHBondContact OE1-OH 2.96Å; V274-Y302 HydrophobicContact CB-CD2 4.32Å; V274-Y302 HydrophobicContact CB-CE2 4.37Å; V274-Y302 HydrophobicContact CG1-CD2 3.52Å; V274-Y302 HydrophobicContact CG1-CE2 4.05Å; V274-Y302 HydrophobicContact CG1-CG 4.49Å; K275-Y302 HydrophobicContact CB-CE2 4.31Å; K275-Y302 HydrophobicContact CG-CE1 4.49Å; H278-Y302 HydrophobicContact CB-CD1 4.3Å; H278-Y302 HydrophobicContact CB-CG 4.36Å; F298-Y302 WeakPolarHBondContact O-CD2 3.31Å; F298-Y302 PolarHBondContact O-N 3.48Å; L299-Y302 CarbonylContact O-C 3.52Å; L299-Y302 PolarHBondContact O-N 3.02Å; N300-Y302 VanDerWaalsContact C-N 3.29Å; N300-Y302 PolarHBondContact O-N 3.43Å; Y302-M304 HydrophobicContact CD2-CE 4.45Å; Y302-M304 HydrophobicContact CG-CE 4.42Å; Y302-M304 PolarHBondContact O-N 3.48Å
303K90.4Very high90.7Very high160 Ų16057.8 Ų57.870%0.69629%0.29SS*.THydrogen-bonded Turntrans53.250-178.7-60.8-176.6-179.4-177.70112.6L225 L299 N300 K301L225-K303 HydrophobicContact CD1-CB 3.9Å; L225-K303 WeakPolarHBondContact CD1-O 3.43Å; L299-K303 PolarHBondContact O-N 3.44Å; N300-K303 PolarHBondContact O-N 3.33Å; K301-K303 VanDerWaalsContact C-N 3.34Å
304M91.2Very high90.7Very high0 Ų052 Ų520%026%0.259CS..  trans-109.4146171.8-68-171.8-81.200111.2V274 L277 H278 N283 L299 Y302V274-M304 HydrophobicContact CG1-CE 3.26Å; L277-M304 HydrophobicContact CB-SD 4.44Å; H278-M304 HydrophobicContact CB-CE 4.26Å; N283-M304 CarbonylContact O-C 3.5Å; N283-M304 WeakPolarHBondContact O-CA 3.37Å; L299-M304 HydrophobicContact CB-CB 4.49Å; L299-M304 HydrophobicContact CD2-CB 3.91Å; L299-M304 HydrophobicContact CD2-CE 3.69Å; L299-M304 HydrophobicContact CD2-SD 4.27Å; L299-M304 PolarHBondContact O-N 2.79Å; Y302-M304 HydrophobicContact CD2-CE 4.45Å; Y302-M304 HydrophobicContact CG-CE 4.42Å; Y302-M304 PolarHBondContact O-N 3.48Å
305L90.9Very high90.7Very high0 Ų049.2 Ų49.20%025%0.245CC..EExtended strand (participates in β ladder)trans-89.4124.6177.3-179.370.6000110.5T223 L225 V228 N283 V284 V285 V307 V338 I340T223-L305 WeakPolarHBondContact OG1-CA 3.41Å; T223-L305 WeakPolarHBondContact OG1-CD1 3.18Å; L225-L305 WeakPolarHBondContact O-CD1 3.35Å; V228-L305 HydrophobicContact CG2-CB 4.27Å; N283-L305 PolarHBondContact O-N 3.37Å; V284-L305 CarbonylContact C-O 3.59Å; V284-L305 WeakPolarHBondContact CA-O 3.12Å; V284-L305 HydrophobicContact CG1-CB 4.46Å; V284-L305 HydrophobicContact CG1-CD2 4.22Å; V284-L305 HydrophobicContact CG2-CB 4.13Å; V284-L305 HydrophobicContact CG2-CD2 4.2Å; V285-L305 PolarHBondContact N-O 3.39Å; L305-V307 HydrophobicContact CD2-CG2 3.97Å; L305-V307 HydrophobicContact CG-CG2 3.97Å; L305-V338 HydrophobicContact CD2-CB 4.25Å; L305-V338 HydrophobicContact CD2-CG1 3.4Å; L305-I340 HydrophobicContact CD1-CD1 3.81Å
306G90.8Very high90.6Very high0 Ų055 Ų550%027%0.266CS..EExtended strand (participates in β ladder)trans-104.3116.9175.700000111.6A222 T223 V285A222-G306 PolarHBondContact N-O 3.13Å; T223-G306 VanDerWaalsContact CG2-N 3.29Å; T223-G306 PolarHBondContact OG1-N 3.19Å; V285-G306 WeakPolarHBondContact O-CA 3.28Å
307V91.1Very high90.4Very high0 Ų056.5 Ų56.50%027%0.269CS..EExtended strand (participates in β ladder)trans-117.7130179.3-175.20000110.8S220 V285 V286 T287 L305 V309 A349 F351S220-V307 CarbonylContact O-C 3.55Å; S220-V307 VanDerWaalsContact O-CA 3.32Å; S220-V307 WeakPolarHBondContact O-CA 3.46Å; V285-V307 PolarHBondContact O-N 3.03Å; V286-V307 CarbonylContact C-O 3.47Å; V286-V307 VanDerWaalsContact CA-O 3.29Å; V286-V307 WeakPolarHBondContact CA-O 3.25Å; V286-V307 HydrophobicContact CG2-CB 4.37Å; T287-V307 PolarHBondContact N-O 3.42Å; L305-V307 HydrophobicContact CD2-CG2 3.97Å; L305-V307 HydrophobicContact CG-CG2 3.97Å; V307-V309 HydrophobicContact CG1-CG2 4.3Å; V307-A349 HydrophobicContact CG1-CB 4.37Å; V307-F351 HydrophobicContact CB-CZ 4.27Å; V307-F351 HydrophobicContact CG1-CE2 4.17Å; V307-F351 HydrophobicContact CG1-CZ 4.21Å; V307-F351 HydrophobicContact CG2-CE2 4.43Å; V307-F351 HydrophobicContact CG2-CZ 3.99Å
308K90.8Very high90.3Very high95 Ų9550.9 Ų50.941%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-102.5119177.5177.1178174.6-168.70111.3S220 G289 L291S220-K308 WeakPolarHBondContact CA-O 3.33Å; S220-K308 WeakPolarHBondContact CB-O 3.35Å; S220-K308 PolarHBondContact O-N 2.82Å; G289-K308 WeakPolarHBondContact O-CD 3.31Å; G289-K308 VanDerWaalsContact O-CE 3.26Å; G289-K308 WeakPolarHBondContact O-CE 3.12Å; G289-K308 WeakPolarHBondContact O-CG 3.48Å; L291-K308 HydrophobicContact CD1-CB 4.16Å
309V89.7Confident90.1Very high3 Ų350.9 Ų50.92%0.01825%0.245CC..  trans-115.1101.8177.2-179.50000109.6F217 V286 T287 G288 V307 S311 D314 L315F217-V309 HydrophobicContact CD1-CG1 4.14Å; F217-V309 HydrophobicContact CD1-CG2 4.12Å; F217-V309 HydrophobicContact CD2-CG2 4.26Å; F217-V309 HydrophobicContact CE1-CG1 3.97Å; F217-V309 HydrophobicContact CE1-CG2 4.18Å; F217-V309 HydrophobicContact CE2-CG2 4.3Å; F217-V309 HydrophobicContact CG-CG2 4.16Å; F217-V309 HydrophobicContact CZ-CG2 4.25Å; V286-V309 HydrophobicContact CG1-CB 4.38Å; V286-V309 HydrophobicContact CG1-CG2 3.73Å; T287-V309 PolarHBondContact O-N 3.14Å; G288-V309 WeakPolarHBondContact CA-O 3.4Å; V307-V309 HydrophobicContact CG1-CG2 4.3Å; V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.46Å; V309-D314 HydrophobicContact CG1-CB 3.58Å; V309-L315 HydrophobicContact CG1-CB 4.44Å
310G84.4Confident89.8Confident69 Ų6957.2 Ų57.271%0.71127%0.269SS*.  trans-70.9-18.3-175.300000115.3
311S88Confident89.5Confident38 Ų3855.5 Ų55.527%0.26626%0.26SS..  trans-93.9125.1-178.4163.30000111.7V309 F313 D314 L315V309-S311 VanDerWaalsContact C-N 3.28Å; V309-S311 PolarHBondContact O-N 3.46Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.33Å; S311-F313 PolarHBondContact OG-N 3.45Å; S311-D314 WeakPolarHBondContact CB-OD2 3.37Å; S311-D314 WeakPolarHBondContact O-CB 3.43Å; S311-D314 PolarHBondContact O-N 3Å; S311-D314 PolarHBondContact OG-N 3.24Å; S311-D314 PolarHBondContact OG-OD1 3.14Å; S311-L315 PolarHBondContact O-N 3.07Å
312K89Confident89.2Confident141 Ų14150.3 Ų50.361%0.61324%0.238SC*.Hα-helixtrans-61.8-34.2173.1-176.8176.5-178.8174.90112.6D314 R316K312-D314 VanDerWaalsContact C-N 3.32Å; K312-R316 WeakPolarHBondContact O-CG 3.4Å; K312-R316 PolarHBondContact O-N 3.34Å
313F89.7Confident88.8Confident137 Ų13751.3 Ų51.360%0.60126%0.26SS*.Hα-helixtrans-69.4-37.1178.6-60.9-77.7000111.1S311 R316 R317S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.33Å; S311-F313 PolarHBondContact OG-N 3.45Å; F313-R316 PolarHBondContact O-N 2.87Å; F313-R317 WeakPolarHBondContact O-CG 3.49Å; F313-R317 PolarHBondContact O-N 3.42Å
314D89.8Confident88.5Confident22 Ų2243.9 Ų43.912%0.11823%0.228CC..Hα-helixtrans-70.6-42.6-180-71.8-2.5000111.8R197 F217 V309 S311 K312 R316 R317 L318R197-D314 IonicContact CZ-OD1 3.73Å; R197-D314 IonicContact CZ-OD2 3.78Å; R197-D314 IonicContact NH1-OD1 3.34Å; R197-D314 PolarHBondContact NH1-OD1 2.82Å; R197-D314 IonicContact NH1-OD2 2.69Å; R197-D314 PolarHBondContact NH1-OD2 3.38Å; R197-D314 VanDerWaalsContact NH1-OD2 3.09Å; R197-D314 VanDerWaalsContact NH2-CG 3.34Å; R197-D314 IonicContact NH2-OD1 2.73Å; R197-D314 PolarHBondContact NH2-OD1 3.37Å; R197-D314 IonicContact NH2-OD2 2.58Å; R197-D314 PolarHBondContact NH2-OD2 3.11Å; F217-D314 HydrophobicContact CE1-CB 3.92Å; V309-D314 HydrophobicContact CG1-CB 3.58Å; S311-D314 WeakPolarHBondContact CB-OD2 3.37Å; S311-D314 WeakPolarHBondContact O-CB 3.43Å; S311-D314 PolarHBondContact O-N 3Å; S311-D314 PolarHBondContact OG-N 3.24Å; S311-D314 PolarHBondContact OG-OD1 3.14Å; K312-D314 VanDerWaalsContact C-N 3.32Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 PolarHBondContact O-N 3.49Å; D314-R317 PolarHBondContact O-N 2.74Å; D314-R317 IonicContact OD1-NH1 3.09Å; D314-R317 PolarHBondContact OD1-NH1 3.26Å; D314-L318 PolarHBondContact O-N 3.37Å
315L89.6Confident88.3Confident10 Ų1046.5 Ų46.55%0.05224%0.244CC..Hα-helixtrans-59.4-44.8174.1-168.5160.6000110.9V235 V309 S311 R317 L318 C319 A326V235-L315 HydrophobicContact CG1-CD1 4.07Å; V235-L315 HydrophobicContact CG1-CD2 3.48Å; V235-L315 VanDerWaalsContact CG1-CD2 3.48Å; V235-L315 HydrophobicContact CG1-CG 3.57Å; V309-L315 HydrophobicContact CG1-CB 4.44Å; S311-L315 PolarHBondContact O-N 3.07Å; L315-R317 VanDerWaalsContact C-N 3.33Å; L315-R317 PolarHBondContact O-N 2.79Å; L315-L318 PolarHBondContact O-N 3.45Å; L315-C319 PolarHBondContact O-N 2.96Å; L315-C319 PolarHBondContact O-SG 3.37Å; L315-C319 VanDerWaalsContact O-SG 3.34Å; L315-A326 HydrophobicContact CD2-CB 3.29Å
316R89.2Confident87.7Confident134 Ų13448 Ų4851%0.50626%0.257SS..Hα-helixtrans-62.4-37.3175.6-75.1174.2173.5-173.9-5.2113.1K312 F313 D314 C319 R320K312-R316 WeakPolarHBondContact O-CG 3.4Å; K312-R316 PolarHBondContact O-N 3.34Å; F313-R316 PolarHBondContact O-N 2.87Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 PolarHBondContact O-N 3.49Å; R316-C319 WeakPolarHBondContact O-CB 3.09Å; R316-R320 WeakPolarHBondContact O-CG 3.42Å; R316-R320 PolarHBondContact O-N 2.83Å
317R88.7Confident86.9Confident51 Ų5151.6 Ų51.619%0.19228%0.276CS..Hα-helixtrans-67-44.2175-75.6-179.5-173.6108.10.1110.4D194 M215 F313 D314 L315 C319 R320 S321 I360D194-R317 PolarHBondContact O-NE 3.39Å; D194-R317 IonicContact OD1-NH2 2.67Å; D194-R317 PolarHBondContact OD1-NH2 2.98Å; M215-R317 HydrophobicContact CE-CB 3.62Å; M215-R317 HydrophobicContact SD-CB 3.69Å; F313-R317 WeakPolarHBondContact O-CG 3.49Å; F313-R317 PolarHBondContact O-N 3.42Å; D314-R317 PolarHBondContact O-N 2.74Å; D314-R317 IonicContact OD1-NH1 3.09Å; D314-R317 PolarHBondContact OD1-NH1 3.26Å; L315-R317 VanDerWaalsContact C-N 3.33Å; L315-R317 PolarHBondContact O-N 2.79Å; R317-C319 VanDerWaalsContact C-N 3.31Å; R317-C319 PolarHBondContact O-N 2.77Å; R317-R320 WeakPolarHBondContact O-CA 3.4Å; R317-R320 WeakPolarHBondContact O-CB 3.22Å; R317-R320 PolarHBondContact O-N 3.1Å; R317-S321 PolarHBondContact O-N 3.47Å; R317-I360 HydrophobicContact CB-CD1 3.62Å; R317-I360 HydrophobicContact CG-CD1 4.1Å; R317-I360 WeakPolarHBondContact O-CD1 3.38Å
318L90Very high85.7Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-61.3-41.1177.9-177.5139.2000111.9M215 F217 V235 V286 D314 L315 R320 S321 V322 F351M215-L318 WeakPolarHBondContact SD-CA 3.46Å; M215-L318 HydrophobicContact SD-CB 3.79Å; M215-L318 PolarHBondContact SD-N 3.46Å; F217-L318 HydrophobicContact CE2-CD1 3.39Å; F217-L318 HydrophobicContact CZ-CB 4.17Å; F217-L318 HydrophobicContact CZ-CD1 3.58Å; V235-L318 HydrophobicContact CG2-CD2 3.44Å; V235-L318 VanDerWaalsContact CG2-CD2 3.44Å; V286-L318 HydrophobicContact CG1-CD1 4.48Å; V286-L318 HydrophobicContact CG1-CD2 4.39Å; V286-L318 HydrophobicContact CG2-CD1 4.44Å; V286-L318 HydrophobicContact CG2-CD2 4.29Å; D314-L318 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.45Å; L318-R320 PolarHBondContact O-N 2.72Å; L318-S321 PolarHBondContact O-N 2.84Å; L318-S321 PolarHBondContact O-OG 3.46Å; L318-V322 HydrophobicContact CD2-CG2 4.15Å; L318-V322 HydrophobicContact CG-CG2 4.06Å; L318-V322 WeakPolarHBondContact O-CB 3.12Å; L318-V322 WeakPolarHBondContact O-CG2 3.13Å; L318-V322 PolarHBondContact O-N 3.11Å; L318-F351 HydrophobicContact CD1-CD1 4.12Å; L318-F351 HydrophobicContact CD1-CD2 4.18Å; L318-F351 HydrophobicContact CD1-CE1 4.04Å; L318-F351 HydrophobicContact CD1-CE2 4.11Å; L318-F351 HydrophobicContact CD1-CG 4.18Å; L318-F351 HydrophobicContact CD1-CZ 4.04Å
319C88.9Confident84.4Confident14 Ų1455.2 Ų55.210%0.09531%0.307CS..Hα-helixtrans-54.8-40.9171.5-77.40000112.6L315 R316 R317 G323 A324L315-C319 PolarHBondContact O-N 2.96Å; L315-C319 PolarHBondContact O-SG 3.37Å; L315-C319 VanDerWaalsContact O-SG 3.34Å; R316-C319 WeakPolarHBondContact O-CB 3.09Å; R317-C319 VanDerWaalsContact C-N 3.31Å; R317-C319 PolarHBondContact O-N 2.77Å; C319-G323 CarbonylContact O-C 3.57Å; C319-G323 VanDerWaalsContact O-CA 3.28Å; C319-G323 WeakPolarHBondContact O-CA 3.28Å; C319-G323 PolarHBondContact O-N 3.4Å; C319-A324 CarbonylContact C-O 3.56Å; C319-A324 VanDerWaalsContact CA-O 3.28Å; C319-A324 WeakPolarHBondContact CA-O 3.48Å; C319-A324 WeakPolarHBondContact CB-O 3.4Å; C319-A324 PolarHBondContact O-N 3.04Å; C319-A324 VanDerWaalsContact O-N 3.12Å; C319-A324 PolarHBondContact SG-O 3.42Å; C319-A324 VanDerWaalsContact SG-O 3.39Å
320R86.3Confident83.4Confident133 Ų13358.9 Ų58.950%0.50233%0.327SS..Hα-helixtrans-72.3-35.9177.9-69.5178-177.9176.22.6113.5H195 R316 R317 L318 I360H195-R320 PolarHBondContact NE2-NH1 3.04Å; R316-R320 WeakPolarHBondContact O-CG 3.42Å; R316-R320 PolarHBondContact O-N 2.83Å; R317-R320 WeakPolarHBondContact O-CA 3.4Å; R317-R320 WeakPolarHBondContact O-CB 3.22Å; R317-R320 PolarHBondContact O-N 3.1Å; L318-R320 PolarHBondContact O-N 2.72Å; R320-I360 HydrophobicContact CB-CD1 4.2Å
321S86Confident83.2Confident3 Ų360.3 Ų60.32%0.02131%0.314CS..Hα-helixtrans-70.4-49.3176.261.30000110.2R317 L318 G323 Q353R317-S321 PolarHBondContact O-N 3.47Å; L318-S321 PolarHBondContact O-N 2.84Å; L318-S321 PolarHBondContact O-OG 3.46Å; S321-G323 PolarHBondContact O-N 3.05Å; S321-Q353 VanDerWaalsContact O-CD 3.29Å; S321-Q353 PolarHBondContact O-NE2 2.85Å; S321-Q353 PolarHBondContact O-OE1 3.35Å
322V86.6Confident82.9Confident8 Ų861.3 Ų61.35%0.04832%0.319CS..Hα-helixtrans-81.5-14.6-172.9-176.40000113V233 L318 A324 G333 E334 C335 Q353V233-V322 HydrophobicContact CB-CG1 3.71Å; V233-V322 HydrophobicContact CG1-CG1 4.27Å; V233-V322 HydrophobicContact CG2-CG1 3.81Å; L318-V322 HydrophobicContact CD2-CG2 4.15Å; L318-V322 HydrophobicContact CG-CG2 4.06Å; L318-V322 WeakPolarHBondContact O-CB 3.12Å; L318-V322 WeakPolarHBondContact O-CG2 3.13Å; L318-V322 PolarHBondContact O-N 3.11Å; V322-A324 VanDerWaalsContact C-N 3.25Å; V322-A324 HydrophobicContact CG1-CB 4.45Å; V322-A324 PolarHBondContact O-N 3.21Å; V322-G333 WeakPolarHBondContact O-CA 3.07Å; V322-E334 WeakPolarHBondContact CG1-O 3.11Å; V322-E334 PolarHBondContact O-N 2.66Å; V322-C335 HydrophobicContact CG1-CB 4.47Å; V322-Q353 VanDerWaalsContact CA-NE2 3.35Å
323G83.7Confident82.8Confident59 Ų5954.8 Ų54.861%0.60829%0.291SS*.THydrogen-bonded Turntrans74.315-174.600000113.7C319 S321C319-G323 CarbonylContact O-C 3.57Å; C319-G323 VanDerWaalsContact O-CA 3.28Å; C319-G323 WeakPolarHBondContact O-CA 3.28Å; C319-G323 PolarHBondContact O-N 3.4Å; S321-G323 PolarHBondContact O-N 3.05Å
324A85.2Confident82.7Confident4 Ų455.1 Ų55.13%0.03330%0.295CS..  trans-87.2154.617700000111.2V235 C319 V322V235-A324 HydrophobicContact CG2-CB 3.79Å; C319-A324 CarbonylContact C-O 3.56Å; C319-A324 VanDerWaalsContact CA-O 3.28Å; C319-A324 WeakPolarHBondContact CA-O 3.48Å; C319-A324 WeakPolarHBondContact CB-O 3.4Å; C319-A324 PolarHBondContact O-N 3.04Å; C319-A324 VanDerWaalsContact O-N 3.12Å; C319-A324 PolarHBondContact SG-O 3.42Å; C319-A324 VanDerWaalsContact SG-O 3.39Å; V322-A324 VanDerWaalsContact C-N 3.25Å; V322-A324 HydrophobicContact CG1-CB 4.45Å; V322-A324 PolarHBondContact O-N 3.21Å
325V85.4Confident82.6Confident55 Ų5554.3 Ų54.333%0.33329%0.291SS..  trans-111.1128.7174.9175.60000110.1I327 E331V325-I327 HydrophobicContact CG1-CB 4.22Å; V325-I327 HydrophobicContact CG1-CD1 3.29Å; V325-I327 HydrophobicContact CG1-CG1 3.52Å; V325-I327 PolarHBondContact O-N 3.33Å; V325-E331 HydrophobicContact CB-CB 4.28Å; V325-E331 WeakPolarHBondContact CB-OE2 3.46Å; V325-E331 WeakPolarHBondContact CG2-OE2 3.48Å
326A79Confident82.6Confident33 Ų3356.8 Ų56.827%0.27330%0.304SS..  trans-76.861.9-179.900000112.5L315L315-A326 HydrophobicContact CD2-CB 3.29Å
327I73.1Confident82.6Confident75 Ų7552.3 Ų52.339%0.38529%0.289SS..SBendtrans-119.4153.2175.4-64.3168.4000107V325 T329V325-I327 HydrophobicContact CG1-CB 4.22Å; V325-I327 HydrophobicContact CG1-CD1 3.29Å; V325-I327 HydrophobicContact CG1-CG1 3.52Å; V325-I327 PolarHBondContact O-N 3.33Å; I327-T329 WeakPolarHBondContact CB-OG1 3.33Å; I327-T329 HydrophobicContact CG2-CG2 4.16Å; I327-T329 WeakPolarHBondContact CG2-OG1 3.23Å; I327-T329 PolarHBondContact O-N 3.47Å; I327-T329 VanDerWaalsContact O-O 3.14Å
328P66.5Low82.7Confident92 Ų9249.9 Ų49.960%0.59728%0.28SS*.SBendtrans-56-14.2169.621.6-35.8000114.3
329T63.9Low82.7Confident78 Ų7852.5 Ų52.548%0.47929%0.29SS..SBendtrans-78141.3173.550.10000111.1I327 E331I327-T329 WeakPolarHBondContact CB-OG1 3.33Å; I327-T329 HydrophobicContact CG2-CG2 4.16Å; I327-T329 WeakPolarHBondContact CG2-OG1 3.23Å; I327-T329 PolarHBondContact O-N 3.47Å; I327-T329 VanDerWaalsContact O-O 3.14Å; T329-E331 VanDerWaalsContact C-N 3.26Å; T329-E331 PolarHBondContact O-N 3.1Å
330L69.1Low82.8Confident81 Ų8153 Ų5342%0.42429%0.292SS..  trans-76.968.1-173.1-60.3169.2000112.2V234 F236 L277 L280V234-L330 HydrophobicContact CG1-CD2 4.22Å; F236-L330 HydrophobicContact CE1-CD2 4.13Å; F236-L330 HydrophobicContact CZ-CD2 3.98Å; L277-L330 HydrophobicContact CD2-CD2 3.73Å; L280-L330 HydrophobicContact CD1-CD1 3.68Å
331E78.4Confident83Confident98 Ų9850.5 Ų50.546%0.45829%0.288SS..  trans-85.9113.3164.7-70.8-170.6-172.800109.2V325 T329V325-E331 HydrophobicContact CB-CB 4.28Å; V325-E331 WeakPolarHBondContact CB-OE2 3.46Å; V325-E331 WeakPolarHBondContact CG2-OE2 3.48Å; T329-E331 VanDerWaalsContact C-N 3.26Å; T329-E331 PolarHBondContact O-N 3.1Å
332V83.8Confident83.1Confident60 Ų6056.7 Ų56.736%0.36432%0.317SS..  trans-88.7128.9-175.9-173.80000109K232 V234 I282K232-V332 HydrophobicContact CB-CG1 3.7Å; K232-V332 HydrophobicContact CD-CG1 4.31Å; K232-V332 HydrophobicContact CG-CG1 4.07Å; V234-V332 HydrophobicContact CG2-CB 4.4Å; V234-V332 HydrophobicContact CG2-CG1 4.44Å; V234-V332 HydrophobicContact CG2-CG2 3.87Å; I282-V332 HydrophobicContact CD1-CG2 4.44Å; I282-V332 HydrophobicContact CG1-CG2 4.28Å
333G86.7Confident83.1Confident3 Ų358.1 Ų58.13%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-101.8171.3168.400000112.2V233 V322V233-G333 PolarHBondContact N-O 3.33Å; V233-G333 PolarHBondContact O-N 3.13Å; V322-G333 WeakPolarHBondContact O-CA 3.07Å
334E87.4Confident83.1Confident145 Ų14557.9 Ų57.968%0.67832%0.321SS*.EExtended strand (participates in β ladder)trans-122.2135.5-173.2-63-174.4162.200110.9V322V322-E334 WeakPolarHBondContact CG1-O 3.11Å; V322-E334 PolarHBondContact O-N 2.66Å
335C87.8Confident83.1Confident5 Ų562.5 Ų62.53%0.03435%0.353CS..EExtended strand (participates in β ladder)trans-135.8137.6176.5-163.60000109.8K230 A231 V233 V322 V338 K352K230-C335 CarbonylContact C-O 3.52Å; K230-C335 WeakPolarHBondContact CA-O 3.27Å; A231-C335 HydrophobicContact CB-CB 4.33Å; A231-C335 PolarHBondContact N-O 3.48Å; A231-C335 PolarHBondContact O-N 3.06Å; V233-C335 HydrophobicContact CG2-CB 3.81Å; V322-C335 HydrophobicContact CG1-CB 4.47Å; C335-V338 HydrophobicContact CB-CG2 4.01Å; C335-K352 PolarHBondContact SG-O 3.18Å; C335-K352 VanDerWaalsContact SG-O 3.34Å
336D87.8Confident83.2Confident62 Ų6261.4 Ų61.433%0.33235%0.345SS..EExtended strand (participates in β ladder)trans-72.6-48.5-174.2-67.7-53.9000112.4E229 K230 K352 Q353 N354E229-D336 CarbonylContact C-O 3.56Å; K230-D336 WeakPolarHBondContact CA-O 3.42Å; K230-D336 PolarHBondContact N-O 3.38Å; D336-K352 PolarHBondContact N-O 3.4Å; D336-Q353 WeakPolarHBondContact OD2-CA 3.38Å; D336-N354 HydrophobicContact CB-CB 4.49Å; D336-N354 PolarHBondContact OD2-N 3.45Å
337E90Very high83.6Confident39 Ų3964.4 Ų64.418%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-139.7127.8178.1-59.6179.4136.400108.6Y339 K352E337-Y339 HydrophobicContact CB-CD1 4.5Å; E337-K352 HydrophobicContact CB-CB 4.23Å; E337-K352 PolarHBondContact N-O 3.49Å; E337-K352 PolarHBondContact O-N 3.35Å; E337-K352 WeakPolarHBondContact OE2-CD 3.09Å; E337-K352 IonicContact OE2-NZ 3.81Å; E337-K352 PolarHBondContact OE2-NZ 3.46Å
338V90.8Very high84.5Confident0 Ų060.8 Ų60.80%034%0.336CS..EExtended strand (participates in β ladder)trans-116.8120.1167.1-174.60000107.1V228 A231 V284 L305 C335 F350 F351V228-V338 PolarHBondContact N-O 3.33Å; V228-V338 PolarHBondContact O-N 2.78Å; A231-V338 HydrophobicContact CB-CB 4.48Å; A231-V338 HydrophobicContact CB-CG2 3.81Å; V284-V338 HydrophobicContact CG2-CB 4.26Å; V284-V338 HydrophobicContact CG2-CG2 4.18Å; L305-V338 HydrophobicContact CD2-CB 4.25Å; L305-V338 HydrophobicContact CD2-CG1 3.4Å; C335-V338 HydrophobicContact CB-CG2 4.01Å; V338-F350 VanDerWaalsContact CA-O 3.29Å; V338-F350 WeakPolarHBondContact CA-O 3.42Å; V338-F351 HydrophobicContact CG1-CD1 4.11Å; V338-F351 HydrophobicContact CG1-CE1 3.9Å; V338-F351 HydrophobicContact CG1-CE2 4.34Å; V338-F351 HydrophobicContact CG1-CG 4.44Å; V338-F351 HydrophobicContact CG1-CZ 4.02Å; V338-F351 HydrophobicContact CG2-CD1 3.61Å; V338-F351 HydrophobicContact CG2-CE1 3.85Å; V338-F351 HydrophobicContact CG2-CG 4.36Å
339Y91.1Very high85.7Confident55 Ų5556.5 Ų56.522%0.21631%0.307CS..EExtended strand (participates in β ladder)trans-141156.6179.967.4-88.9000111.6F212 N226 E337 D341 F350 K352F212-Y339 HydrophobicContact CE2-CE1 4.33Å; N226-Y339 CarbonylContact O-C 3.49Å; N226-Y339 WeakPolarHBondContact O-CA 3.35Å; E337-Y339 HydrophobicContact CB-CD1 4.5Å; Y339-D341 HydrophobicContact CD2-CB 3.9Å; Y339-D341 HydrophobicContact CE2-CB 3.75Å; Y339-F350 HydrophobicContact CD1-CB 4.01Å; Y339-F350 HydrophobicContact CD2-CB 4.08Å; Y339-F350 AromaticContact CD2-CD2 3.97Å; Y339-F350 HydrophobicContact CD2-CD2 3.97Å; Y339-F350 HydrophobicContact CD2-CG 4.27Å; Y339-F350 HydrophobicContact CE1-CB 3.67Å; Y339-F350 HydrophobicContact CE1-CG 4.33Å; Y339-F350 HydrophobicContact CE2-CB 3.75Å; Y339-F350 HydrophobicContact CE2-CD1 4.45Å; Y339-F350 AromaticContact CE2-CD2 3.53Å; Y339-F350 HydrophobicContact CE2-CD2 3.53Å; Y339-F350 HydrophobicContact CE2-CE2 4.32Å; Y339-F350 AromaticContact CE2-CG 3.64Å; Y339-F350 HydrophobicContact CE2-CG 3.64Å; Y339-F350 HydrophobicContact CG-CB 4.19Å; Y339-F350 AromaticContact CZ-CG 3.68Å; Y339-F350 PolarHBondContact N-O 3.47Å; Y339-F350 WeakPolarHBondContact O-CB 3.29Å; Y339-F350 PolarHBondContact O-N 3.47Å; Y339-K352 HydrophobicContact CE1-CB 4.38Å; Y339-K352 HydrophobicContact CE1-CD 4.38Å
340I89.9Confident87Confident26 Ų2653 Ų5313%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-103.8128174.9-64.9166.8000106.4I221 L225 N226 L305 L348I221-I340 HydrophobicContact CB-CD1 4.18Å; I221-I340 HydrophobicContact CD1-CB 4.1Å; I221-I340 HydrophobicContact CD1-CD1 3.71Å; I221-I340 HydrophobicContact CD1-CG1 3.64Å; I221-I340 HydrophobicContact CD1-CG2 3.38Å; I221-I340 HydrophobicContact CG1-CD1 3.62Å; I221-I340 HydrophobicContact CG1-CG1 3.84Å; I221-I340 HydrophobicContact CG1-CG2 4.46Å; I221-I340 HydrophobicContact CG2-CD1 3.46Å; I221-I340 VanDerWaalsContact CG2-CD1 3.46Å; L225-I340 WeakPolarHBondContact O-CD1 3.26Å; N226-I340 PolarHBondContact O-N 3.38Å; L305-I340 HydrophobicContact CD1-CD1 3.81Å; I340-L348 WeakPolarHBondContact CA-O 3.36Å
341D89.7Confident88.1Confident79 Ų7949.1 Ų49.142%0.42227%0.266SS..EExtended strand (participates in β ladder)trans-137.5146.4175-166.716.2000109.5Y339 L348 F350Y339-D341 HydrophobicContact CD2-CB 3.9Å; Y339-D341 HydrophobicContact CE2-CB 3.75Å; D341-L348 PolarHBondContact N-O 2.88Å; D341-L348 PolarHBondContact O-N 2.93Å; D341-F350 HydrophobicContact CB-CD2 3.88Å; D341-F350 HydrophobicContact CB-CE2 3.6Å
342E88.4Confident88.6Confident134 Ų13447.5 Ų47.563%0.62626%0.257SS*.EExtended strand (participates in β ladder)trans-96113.3-178-73.7175.2-158.800108.5E347E342-E347 HydrophobicContact CG-CG 3.87Å
343I87.8Confident88.6Confident38 Ų3845 Ų4520%0.19524%0.241CC..EExtended strand (participates in β ladder)trans-111.395.1174.3-46.3-171000109.6V201 D346 L348 F350 I364 R366V201-I343 WeakPolarHBondContact CG1-O 3.46Å; I343-D346 PolarHBondContact N-O 2.78Å; I343-D346 VanDerWaalsContact N-O 3.17Å; I343-L348 HydrophobicContact CB-CD1 4.02Å; I343-L348 HydrophobicContact CD1-CD1 4Å; I343-L348 HydrophobicContact CG1-CD1 3.97Å; I343-F350 HydrophobicContact CD1-CE1 4.23Å; I343-F350 HydrophobicContact CD1-CE2 4.4Å; I343-F350 HydrophobicContact CD1-CZ 3.5Å; I343-F350 HydrophobicContact CG1-CZ 4.06Å; I343-I364 HydrophobicContact CD1-CD1 4.25Å; I343-R366 PolarHBondContact O-NH1 2.88Å
344G83.3Confident87.6Confident54 Ų5448.9 Ų48.956%0.55726%0.261SS*.THydrogen-bonded Turntrans88.1-120.4-175.600000110.8
345S85.7Confident86.2Confident100 Ų10048.5 Ų48.570%0.69926%0.263SS*.THydrogen-bonded Turntrans-96-11.6174.553.70000113.7
346D86.3Confident84.9Confident32 Ų3255.5 Ų55.517%0.17131%0.306CS..EExtended strand (participates in β ladder)trans-105.3128.1-166.6-57.1-15.7000109.9V201 H219 I343 L348V201-D346 HydrophobicContact CG1-CB 4.4Å; H219-D346 IonicContact CE1-OD1 3.99Å; H219-D346 IonicContact NE2-OD1 2.68Å; I343-D346 PolarHBondContact N-O 2.78Å; I343-D346 VanDerWaalsContact N-O 3.17Å; D346-L348 HydrophobicContact CB-CD2 4.32Å
347E88.7Confident83.3Confident96 Ų9655.5 Ų55.545%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-76.2122.3168.7-69.1173.8-161.900109.7H219 I221 E342H219-E347 PolarHBondContact N-O 3.12Å; I221-E347 HydrophobicContact CD1-CB 3.91Å; E342-E347 HydrophobicContact CG-CG 3.87Å
348L91.1Very high81.8Confident0 Ų054.1 Ų54.10%031%0.311CS..EExtended strand (participates in β ladder)trans-117.5137.3-178.2-56.6178.3000110.1V201 V216 F217 A218 I340 D341 I343 D346 F350V201-L348 HydrophobicContact CG1-CD1 4.36Å; V201-L348 HydrophobicContact CG2-CD1 3.75Å; V216-L348 HydrophobicContact CG1-CB 3.99Å; V216-L348 HydrophobicContact CG1-CD1 4.16Å; F217-L348 WeakPolarHBondContact O-CA 3.45Å; A218-L348 VanDerWaalsContact CA-CD2 3.5Å; A218-L348 HydrophobicContact CB-CD2 3.6Å; I340-L348 WeakPolarHBondContact CA-O 3.36Å; D341-L348 PolarHBondContact N-O 2.88Å; D341-L348 PolarHBondContact O-N 2.93Å; I343-L348 HydrophobicContact CB-CD1 4.02Å; I343-L348 HydrophobicContact CD1-CD1 4Å; I343-L348 HydrophobicContact CG1-CD1 3.97Å; D346-L348 HydrophobicContact CB-CD2 4.32Å; L348-F350 HydrophobicContact CB-CD2 4.37Å; L348-F350 HydrophobicContact CB-CE2 3.53Å; L348-F350 HydrophobicContact CB-CZ 3.77Å; L348-F350 HydrophobicContact CD1-CZ 3.99Å; L348-F350 WeakPolarHBondContact O-CD2 3.3Å; L348-F350 WeakPolarHBondContact O-CE2 3.39Å
349A91.5Very high81Confident1 Ų158.7 Ų58.71%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-94.3121.317200000110.1V216 F217 S220 I221 V307 F351V216-A349 WeakPolarHBondContact CA-O 3.41Å; F217-A349 PolarHBondContact N-O 3.29Å; F217-A349 PolarHBondContact O-N 3.1Å; S220-A349 WeakPolarHBondContact OG-CB 3.41Å; I221-A349 HydrophobicContact CG1-CB 4.36Å; V307-A349 HydrophobicContact CG1-CB 4.37Å; A349-F351 HydrophobicContact CB-CE2 4.34Å
350F92.1Very high80.9Confident4 Ų456 Ų562%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-103.2124.7-179.2-67.1-88.5000110.8F212 V216 V338 Y339 D341 I343 L348 I364F212-F350 HydrophobicContact CD1-CD1 4.36Å; F212-F350 AromaticContact CD2-CD1 3.9Å; F212-F350 HydrophobicContact CD2-CD1 3.9Å; F212-F350 HydrophobicContact CE1-CB 4.35Å; F212-F350 HydrophobicContact CE1-CD1 4.15Å; F212-F350 HydrophobicContact CE2-CB 4.08Å; F212-F350 AromaticContact CE2-CD1 3.68Å; F212-F350 HydrophobicContact CE2-CD1 3.68Å; F212-F350 HydrophobicContact CE2-CG 4.29Å; F212-F350 HydrophobicContact CG-CD1 4.23Å; F212-F350 HydrophobicContact CZ-CB 3.67Å; F212-F350 AromaticContact CZ-CD1 3.8Å; F212-F350 HydrophobicContact CZ-CD1 3.8Å; F212-F350 HydrophobicContact CZ-CG 4.22Å; V216-F350 HydrophobicContact CB-CD1 4.45Å; V216-F350 HydrophobicContact CB-CE1 4.36Å; V216-F350 HydrophobicContact CG1-CD1 4.12Å; V216-F350 HydrophobicContact CG1-CE1 3.74Å; V216-F350 HydrophobicContact CG1-CZ 4Å; V216-F350 HydrophobicContact CG2-CD1 3.59Å; V216-F350 HydrophobicContact CG2-CE1 3.64Å; V338-F350 VanDerWaalsContact CA-O 3.29Å; V338-F350 WeakPolarHBondContact CA-O 3.42Å; Y339-F350 HydrophobicContact CD1-CB 4.01Å; Y339-F350 HydrophobicContact CD2-CB 4.08Å; Y339-F350 AromaticContact CD2-CD2 3.97Å; Y339-F350 HydrophobicContact CD2-CD2 3.97Å; Y339-F350 HydrophobicContact CD2-CG 4.27Å; Y339-F350 HydrophobicContact CE1-CB 3.67Å; Y339-F350 HydrophobicContact CE1-CG 4.33Å; Y339-F350 HydrophobicContact CE2-CB 3.75Å; Y339-F350 HydrophobicContact CE2-CD1 4.45Å; Y339-F350 AromaticContact CE2-CD2 3.53Å; Y339-F350 HydrophobicContact CE2-CD2 3.53Å; Y339-F350 HydrophobicContact CE2-CE2 4.32Å; Y339-F350 AromaticContact CE2-CG 3.64Å; Y339-F350 HydrophobicContact CE2-CG 3.64Å; Y339-F350 HydrophobicContact CG-CB 4.19Å; Y339-F350 AromaticContact CZ-CG 3.68Å; Y339-F350 PolarHBondContact N-O 3.47Å; Y339-F350 WeakPolarHBondContact O-CB 3.29Å; Y339-F350 PolarHBondContact O-N 3.47Å; D341-F350 HydrophobicContact CB-CD2 3.88Å; D341-F350 HydrophobicContact CB-CE2 3.6Å; I343-F350 HydrophobicContact CD1-CE1 4.23Å; I343-F350 HydrophobicContact CD1-CE2 4.4Å; I343-F350 HydrophobicContact CD1-CZ 3.5Å; I343-F350 HydrophobicContact CG1-CZ 4.06Å; L348-F350 HydrophobicContact CB-CD2 4.37Å; L348-F350 HydrophobicContact CB-CE2 3.53Å; L348-F350 HydrophobicContact CB-CZ 3.77Å; L348-F350 HydrophobicContact CD1-CZ 3.99Å; L348-F350 WeakPolarHBondContact O-CD2 3.3Å; L348-F350 WeakPolarHBondContact O-CE2 3.39Å; F350-I364 HydrophobicContact CE1-CD1 3.64Å; F350-I364 HydrophobicContact CZ-CD1 4.31Å
351F91.3Very high80.9Confident1 Ų154.8 Ų54.80%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-109.493.7171.7-72.3-99.8000108.6F212 G214 M215 F217 V284 V286 V307 L318 V338 A349F212-F351 VanDerWaalsContact CE1-O 3.3Å; F212-F351 WeakPolarHBondContact CE1-O 3.2Å; G214-F351 VanDerWaalsContact CA-O 3.28Å; G214-F351 WeakPolarHBondContact CA-O 3.17Å; M215-F351 PolarHBondContact N-O 3.43Å; M215-F351 VanDerWaalsContact N-O 3.13Å; M215-F351 PolarHBondContact O-N 3Å; F217-F351 AromaticContact CD2-CD2 3.83Å; F217-F351 HydrophobicContact CD2-CD2 3.83Å; F217-F351 AromaticContact CD2-CE2 3.7Å; F217-F351 HydrophobicContact CD2-CE2 3.7Å; F217-F351 AromaticContact CE2-CD2 3.61Å; F217-F351 HydrophobicContact CE2-CD2 3.61Å; F217-F351 AromaticContact CE2-CE2 3.69Å; F217-F351 HydrophobicContact CE2-CE2 3.69Å; V284-F351 HydrophobicContact CG1-CE1 4.11Å; V284-F351 HydrophobicContact CG1-CZ 4.38Å; V286-F351 HydrophobicContact CG2-CE1 4.04Å; V286-F351 HydrophobicContact CG2-CZ 3.87Å; V307-F351 HydrophobicContact CB-CZ 4.27Å; V307-F351 HydrophobicContact CG1-CE2 4.17Å; V307-F351 HydrophobicContact CG1-CZ 4.21Å; V307-F351 HydrophobicContact CG2-CE2 4.43Å; V307-F351 HydrophobicContact CG2-CZ 3.99Å; L318-F351 HydrophobicContact CD1-CD1 4.12Å; L318-F351 HydrophobicContact CD1-CD2 4.18Å; L318-F351 HydrophobicContact CD1-CE1 4.04Å; L318-F351 HydrophobicContact CD1-CE2 4.11Å; L318-F351 HydrophobicContact CD1-CG 4.18Å; L318-F351 HydrophobicContact CD1-CZ 4.04Å; V338-F351 HydrophobicContact CG1-CD1 4.11Å; V338-F351 HydrophobicContact CG1-CE1 3.9Å; V338-F351 HydrophobicContact CG1-CE2 4.34Å; V338-F351 HydrophobicContact CG1-CG 4.44Å; V338-F351 HydrophobicContact CG1-CZ 4.02Å; V338-F351 HydrophobicContact CG2-CD1 3.61Å; V338-F351 HydrophobicContact CG2-CE1 3.85Å; V338-F351 HydrophobicContact CG2-CG 4.36Å; A349-F351 HydrophobicContact CB-CE2 4.34Å
352K89.6Confident81.1Confident63 Ų6351 Ų5127%0.27430%0.295SS..EExtended strand (participates in β ladder)trans-93.3138.5-175.2-171.7175160.9-1550111F212 C335 D336 E337 Y339 N354F212-K352 HydrophobicContact CE2-CB 3.94Å; F212-K352 HydrophobicContact CE2-CD 4.3Å; F212-K352 HydrophobicContact CE2-CG 4.12Å; F212-K352 HydrophobicContact CZ-CB 3.55Å; F212-K352 HydrophobicContact CZ-CG 4.14Å; C335-K352 PolarHBondContact SG-O 3.18Å; C335-K352 VanDerWaalsContact SG-O 3.34Å; D336-K352 PolarHBondContact N-O 3.4Å; E337-K352 HydrophobicContact CB-CB 4.23Å; E337-K352 PolarHBondContact N-O 3.49Å; E337-K352 PolarHBondContact O-N 3.35Å; E337-K352 WeakPolarHBondContact OE2-CD 3.09Å; E337-K352 IonicContact OE2-NZ 3.81Å; E337-K352 PolarHBondContact OE2-NZ 3.46Å; Y339-K352 HydrophobicContact CE1-CB 4.38Å; Y339-K352 HydrophobicContact CE1-CD 4.38Å; K352-N354 VanDerWaalsContact CE-OD1 3.25Å; K352-N354 WeakPolarHBondContact CE-OD1 3.2Å
353Q83.1Confident81.4Confident9 Ų944.7 Ų44.74%0.04227%0.266CS..  trans-128124.6175.2-65.6-176.9-19.700110.7N213 S321 V322 D336 L355N213-Q353 PolarHBondContact ND2-O 2.92Å; N213-Q353 PolarHBondContact O-N 3.47Å; S321-Q353 VanDerWaalsContact O-CD 3.29Å; S321-Q353 PolarHBondContact O-NE2 2.85Å; S321-Q353 PolarHBondContact O-OE1 3.35Å; V322-Q353 VanDerWaalsContact CA-NE2 3.35Å; D336-Q353 WeakPolarHBondContact OD2-CA 3.38Å; Q353-L355 PolarHBondContact O-N 2.9Å
354N65.8Low81.7Confident84 Ų8443 Ų4345%0.44926%0.257SS..  trans-95.177.1179.3-67.6-31.5000109.5D336 K352D336-N354 HydrophobicContact CB-CB 4.49Å; D336-N354 PolarHBondContact OD2-N 3.45Å; K352-N354 VanDerWaalsContact CE-OD1 3.25Å; K352-N354 WeakPolarHBondContact CE-OD1 3.2Å
355L59.3Low82.3Confident136 Ų13640.5 Ų40.571%0.71223%0.231SC*.SBendtrans47.791.6157.4-69137000116.7Q353Q353-L355 PolarHBondContact O-N 2.9Å
356T59.4Low82.6Confident152 Ų15236.7 Ų36.793%0.93320%0.201SC*.SBend-154.8-3.999.128.90000112.4
357A54.9Low82.9Confident62 Ų6235.2 Ų35.251%0.51219%0.193SC..SBendtrans-114.8-6.7-172.700000114.4H359A357-H359 PolarHBondContact O-CD2 2.85Å; A357-H359 PolarHBondContact O-N 2.84Å
358G57.4Low83.1Confident11 Ų1135.4 Ų35.411%0.11321%0.205CC..  trans-77.691.6-176.200000112.9I360G358-I360 PolarHBondContact O-N 3.33Å
359H74.6Confident83.1Confident95 Ų9537.4 Ų37.444%0.4422%0.219SC..  trans-75.7-3178.5-66.4-57000114.4H195 A357H195-H359 WeakPolarHBondContact CB-O 3.34Å; H195-H359 PolarHBondContact ND1-O 3.15Å; A357-H359 PolarHBondContact O-CD2 2.85Å; A357-H359 PolarHBondContact O-N 2.84Å
360I88.3Confident83.1Confident0 Ų039.7 Ų39.70%024%0.238CC..  trans-131.7130.6-170.1-58.4-174.1000110.3H195 G214 M215 R317 R320 G358H195-I360 HydrophobicContact CB-CG1 4.42Å; H195-I360 VanDerWaalsContact O-CA 3.27Å; H195-I360 WeakPolarHBondContact O-CA 3.15Å; H195-I360 VanDerWaalsContact O-CG2 3.3Å; H195-I360 WeakPolarHBondContact O-CG2 3.29Å; G214-I360 WeakPolarHBondContact CA-O 3.44Å; G214-I360 PolarHBondContact N-O 3.23Å; M215-I360 HydrophobicContact CG-CG2 3.94Å; M215-I360 HydrophobicContact SD-CD1 4.44Å; M215-I360 HydrophobicContact SD-CG2 4.49Å; R317-I360 HydrophobicContact CB-CD1 3.62Å; R317-I360 HydrophobicContact CG-CD1 4.1Å; R317-I360 WeakPolarHBondContact O-CD1 3.38Å; R320-I360 HydrophobicContact CB-CD1 4.2Å; G358-I360 PolarHBondContact O-N 3.33Å
361A91Very high83Confident0 Ų041.8 Ų41.80%025%0.249CC..EExtended strand (participates in β ladder)trans-116.8145.6173.700000110A179 V183 H195 V196 R197 L211A179-A361 HydrophobicContact CB-CB 4.43Å; V183-A361 HydrophobicContact CG2-CB 3.7Å; H195-A361 PolarHBondContact O-N 3.08Å; V196-A361 WeakPolarHBondContact CA-O 3.38Å; R197-A361 PolarHBondContact N-O 3.24Å; L211-A361 HydrophobicContact CD1-CB 4.2Å
362T93.2Very high83Confident0 Ų044.2 Ų44.20%026%0.264CS..EExtended strand (participates in β ladder)trans-118.8125.2177-57.60000110.3R197 V199 F212 G214 V216R197-T362 HydrophobicContact CB-CG2 4.37Å; R197-T362 HydrophobicContact CG-CG2 4.33Å; R197-T362 CarbonylContact O-C 3.45Å; R197-T362 VanDerWaalsContact O-CA 3.28Å; R197-T362 WeakPolarHBondContact O-CA 3.21Å; V199-T362 HydrophobicContact CB-CG2 4.12Å; V199-T362 HydrophobicContact CG2-CG2 3.57Å; F212-T362 PolarHBondContact N-O 3.29Å; F212-T362 PolarHBondContact O-N 2.79Å; G214-T362 WeakPolarHBondContact O-CB 3.29Å; G214-T362 PolarHBondContact O-N 2.63Å; G214-T362 PolarHBondContact O-OG1 3.4Å; V216-T362 HydrophobicContact CB-CG2 4.17Å; V216-T362 HydrophobicContact CG2-CG2 4.05Å
363I94.8Very high83.1Confident1 Ų141.7 Ų41.71%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-93118.4171.1-59.6172.4000107.7V176 A179 V196 R197 T198 V199 L211 I365 V380 I384V176-I363 HydrophobicContact CG2-CD1 4.21Å; A179-I363 HydrophobicContact CB-CD1 3.87Å; A179-I363 HydrophobicContact CB-CG1 4.01Å; V196-I363 HydrophobicContact CG1-CD1 3.89Å; V196-I363 HydrophobicContact CG1-CG1 4.3Å; R197-I363 PolarHBondContact O-N 3.12Å; T198-I363 CarbonylContact C-O 3.53Å; T198-I363 WeakPolarHBondContact CA-O 3.41Å; V199-I363 PolarHBondContact N-O 3.23Å; L211-I363 HydrophobicContact CD1-CG1 4.03Å; I363-I365 HydrophobicContact CG2-CG1 4.09Å; I363-V380 HydrophobicContact CD1-CG1 3.73Å; I363-I384 HydrophobicContact CD1-CD1 4.46Å
364I94.9Very high83.6Confident2 Ų242.7 Ų42.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-91.7109.3176.5-53.9174.2000107.5V199 V201 S209 T210 F212 V216 I343 F350V199-I364 CarbonylContact O-C 3.57Å; V199-I364 WeakPolarHBondContact O-CA 3.3Å; V201-I364 HydrophobicContact CG2-CG2 3.77Å; S209-I364 CarbonylContact C-O 3.56Å; S209-I364 WeakPolarHBondContact CA-O 3.43Å; S209-I364 WeakPolarHBondContact CB-O 3.43Å; T210-I364 PolarHBondContact N-O 3.17Å; T210-I364 PolarHBondContact O-N 3.12Å; F212-I364 HydrophobicContact CB-CD1 4.27Å; V216-I364 HydrophobicContact CG2-CD1 4.07Å; V216-I364 HydrophobicContact CG2-CG1 4.34Å; I343-I364 HydrophobicContact CD1-CD1 4.25Å; F350-I364 HydrophobicContact CE1-CD1 3.64Å; F350-I364 HydrophobicContact CZ-CD1 4.31Å
365I94.8Very high84.7Confident1 Ų138.9 Ų38.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-90.8121.1-179.6-60.6178.2000108.6T198 V199 V201 I363 T376 E377 V380T198-I365 HydrophobicContact CG2-CD1 3.94Å; V199-I365 PolarHBondContact O-N 3.04Å; V201-I365 PolarHBondContact N-O 3.21Å; I363-I365 HydrophobicContact CG2-CG1 4.09Å; I365-T376 VanDerWaalsContact CG2-OG1 3.23Å; I365-T376 WeakPolarHBondContact CG2-OG1 3.24Å; I365-E377 HydrophobicContact CD1-CB 3.85Å; I365-E377 HydrophobicContact CD1-CG 4.45Å; I365-V380 HydrophobicContact CD1-CB 4.48Å; I365-V380 HydrophobicContact CD1-CG2 4.24Å
366R93.3Very high86.3Confident21 Ų2132.4 Ų32.48%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-100146.2173.8-64.4-62.2-66.6-167.6-8.4110V201 L202 G203 A204 V206 A208 S209 I343V201-R366 VanDerWaalsContact CB-NH1 3.33Å; L202-R366 PolarHBondContact O-NH1 3.32Å; L202-R366 PolarHBondContact O-NH2 3.39Å; G203-R366 PolarHBondContact O-NE 3.42Å; A204-R366 HydrophobicContact CB-CB 4.47Å; V206-R366 WeakPolarHBondContact CA-O 3.44Å; A208-R366 HydrophobicContact CB-CB 4.29Å; A208-R366 HydrophobicContact CB-CG 4.37Å; S209-R366 PolarHBondContact OG-N 3.17Å; S209-R366 VanDerWaalsContact OG-N 3.08Å; I343-R366 PolarHBondContact O-NH1 2.88Å
367G92.2Very high87.9Confident0 Ų026.9 Ų26.90%017%0.168CC..EExtended strand (participates in β ladder)trans-171.415117800000113.2G203 A204 S369G203-G367 PolarHBondContact N-O 2.68Å; G203-G367 PolarHBondContact O-N 3Å; G203-G367 VanDerWaalsContact O-N 3.17Å; A204-G367 CarbonylContact O-C 3.6Å; A204-G367 VanDerWaalsContact O-C 3.27Å; A204-G367 WeakPolarHBondContact O-CA 3.37Å; G367-S369 VanDerWaalsContact C-N 3.35Å
368S92.1Very high89.6Confident101 Ų10126 Ų2671%0.70615%0.152SC*.SBendtrans-72.6-27.3-177.656.10000113.4A204A204-S368 PolarHBondContact O-N 3.27Å; A204-S368 VanDerWaalsContact O-N 3.15Å
369S91.4Very high91.3Very high42 Ų4225.4 Ų25.429%0.29415%0.146SC..SBendtrans-137.3148.9179.567.20000110.9G367 N371 V372 M373G367-S369 VanDerWaalsContact C-N 3.35Å; S369-N371 PolarHBondContact O-N 3.08Å; S369-V372 PolarHBondContact O-N 3.39Å; S369-V372 VanDerWaalsContact OG-CG2 3.28Å; S369-V372 WeakPolarHBondContact OG-CG2 3.26Å; S369-V372 PolarHBondContact OG-N 2.91Å; S369-M373 PolarHBondContact O-N 2.99Å; S369-M373 VanDerWaalsContact O-N 3.14Å
370A91.5Very high92.2Very high48 Ų4821 Ų2140%0.39713%0.126SC..Hα-helixtrans-56.7-37.3177.600000112.7V372 M373 D374A370-V372 PolarHBondContact O-N 3.26Å; A370-M373 HydrophobicContact CB-CE 4.49Å; A370-M373 PolarHBondContact O-N 3.49Å; A370-D374 PolarHBondContact O-N 3.42Å
371N91.1Very high92.4Very high49 Ų4923.7 Ų23.726%0.26214%0.14SC..Hα-helixtrans-64.4-41.9179.8-59.8-27.8000112.3V64 S369 M373 D374 D375V64-N371 HydrophobicContact CB-CB 4.3Å; V64-N371 HydrophobicContact CG2-CB 4.17Å; S369-N371 PolarHBondContact O-N 3.08Å; N371-M373 VanDerWaalsContact C-N 3.34Å; N371-D374 PolarHBondContact O-N 3.36Å; N371-D375 PolarHBondContact O-N 3.32Å; N371-D375 VanDerWaalsContact O-N 3.17Å
372V90.6Very high92.4Very high52 Ų5223.8 Ų23.832%0.31514%0.14SC..Hα-helixtrans-67.3-38.9176.6173.80000110.3V206 S369 A370 D375 T376V206-V372 HydrophobicContact CG2-CG1 3.92Å; S369-V372 PolarHBondContact O-N 3.39Å; S369-V372 VanDerWaalsContact OG-CG2 3.28Å; S369-V372 WeakPolarHBondContact OG-CG2 3.26Å; S369-V372 PolarHBondContact OG-N 2.91Å; A370-V372 PolarHBondContact O-N 3.26Å; V372-D375 PolarHBondContact O-N 3.46Å; V372-T376 HydrophobicContact CG1-CG2 4.3Å; V372-T376 VanDerWaalsContact O-CG2 3.3Å; V372-T376 WeakPolarHBondContact O-CG2 3.33Å; V372-T376 PolarHBondContact O-N 3.08Å; V372-T376 PolarHBondContact O-OG1 3.46Å; V372-T376 VanDerWaalsContact O-OG1 3.09Å
373M92.2Very high92.2Very high9 Ų923.8 Ų23.84%0.04414%0.14CC..Hα-helixtrans-66.4-39.1176.9-65.9-168.1-52.900113.3K200 V201 L202 S369 A370 N371 D375 T376 E377K200-M373 HydrophobicContact CB-CE 4.1Å; K200-M373 HydrophobicContact CB-SD 4.14Å; K200-M373 HydrophobicContact CD-CB 4Å; K200-M373 HydrophobicContact CG-CB 4.27Å; V201-M373 VanDerWaalsContact O-SD 3.39Å; L202-M373 HydrophobicContact CD2-CE 3.26Å; L202-M373 HydrophobicContact CD2-SD 4.17Å; L202-M373 HydrophobicContact CG-CE 3.69Å; S369-M373 PolarHBondContact O-N 2.99Å; S369-M373 VanDerWaalsContact O-N 3.14Å; A370-M373 HydrophobicContact CB-CE 4.49Å; A370-M373 PolarHBondContact O-N 3.49Å; N371-M373 VanDerWaalsContact C-N 3.34Å; M373-D375 VanDerWaalsContact C-N 3.31Å; M373-T376 WeakPolarHBondContact CA-OG1 3.2Å; M373-T376 PolarHBondContact O-OG1 2.97Å; M373-E377 WeakPolarHBondContact O-CB 3.31Å; M373-E377 PolarHBondContact O-N 2.96Å
374D92.2Very high92.1Very high30 Ų3024 Ų2416%0.1614%0.141CC..Hα-helixtrans-65.5-37.2177.1-77-2.3000111.1K200 A370 N371 R378K200-D374 IonicContact NZ-OD1 2.74Å; K200-D374 PolarHBondContact NZ-OD1 3.35Å; A370-D374 PolarHBondContact O-N 3.42Å; N371-D374 PolarHBondContact O-N 3.36Å; D374-R378 WeakPolarHBondContact O-CG 3.49Å; D374-R378 PolarHBondContact O-N 3.49Å
375D89.8Confident91.8Very high4 Ų425.2 Ų25.22%0.02115%0.148CC..Hα-helixtrans-75.4-39.1178-164.567.4000112.5T65 Q165 N371 V372 M373 R378 A379T65-D375 WeakPolarHBondContact CA-OD1 3.48Å; T65-D375 PolarHBondContact OG1-OD1 3.32Å; Q165-D375 PolarHBondContact NE2-OD2 3.39Å; N371-D375 PolarHBondContact O-N 3.32Å; N371-D375 VanDerWaalsContact O-N 3.17Å; V372-D375 PolarHBondContact O-N 3.46Å; M373-D375 VanDerWaalsContact C-N 3.31Å; D375-R378 PolarHBondContact O-N 3.49Å; D375-A379 PolarHBondContact O-N 3.44Å
376T92.9Very high91.3Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-67.5-36.717355.60000112.2Q165 V206 I365 V372 M373 R378 A379 V380Q165-T376 HydrophobicContact CG-CG2 4.15Å; V206-T376 HydrophobicContact CG1-CG2 3.87Å; V206-T376 HydrophobicContact CG2-CG2 3.85Å; I365-T376 VanDerWaalsContact CG2-OG1 3.23Å; I365-T376 WeakPolarHBondContact CG2-OG1 3.24Å; V372-T376 HydrophobicContact CG1-CG2 4.3Å; V372-T376 VanDerWaalsContact O-CG2 3.3Å; V372-T376 WeakPolarHBondContact O-CG2 3.33Å; V372-T376 PolarHBondContact O-N 3.08Å; V372-T376 PolarHBondContact O-OG1 3.46Å; V372-T376 VanDerWaalsContact O-OG1 3.09Å; M373-T376 WeakPolarHBondContact CA-OG1 3.2Å; M373-T376 PolarHBondContact O-OG1 2.97Å; T376-R378 VanDerWaalsContact C-N 3.31Å; T376-R378 PolarHBondContact O-N 3.47Å; T376-A379 PolarHBondContact O-N 3.01Å; T376-V380 WeakPolarHBondContact O-CG2 3.19Å; T376-V380 PolarHBondContact O-N 3.11Å
377E93.3Very high90.9Very high37 Ų3724.8 Ų24.817%0.17315%0.147CC..Hα-helixtrans-58.1-44.3172.2175172.2-135.900111.2T198 K200 I365 M373 V380 I381T198-E377 HydrophobicContact CG2-CG 4.37Å; T198-E377 PolarHBondContact OG1-OE1 2.82Å; K200-E377 HydrophobicContact CD-CB 4.42Å; K200-E377 WeakPolarHBondContact CD-OE2 3.45Å; K200-E377 VanDerWaalsContact CE-OE2 3.25Å; K200-E377 WeakPolarHBondContact CE-OE2 3.4Å; K200-E377 IonicContact NZ-OE2 3.37Å; K200-E377 PolarHBondContact NZ-OE2 2.9Å; I365-E377 HydrophobicContact CD1-CB 3.85Å; I365-E377 HydrophobicContact CD1-CG 4.45Å; M373-E377 WeakPolarHBondContact O-CB 3.31Å; M373-E377 PolarHBondContact O-N 2.96Å; E377-V380 PolarHBondContact O-N 2.72Å; E377-I381 HydrophobicContact CG-CD1 3.78Å; E377-I381 HydrophobicContact CG-CG1 4.49Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.47Å; E377-I381 PolarHBondContact O-N 3.27Å
378R90.9Very high90.1Very high42 Ų4226.5 Ų26.516%0.15816%0.158CC..Hα-helixtrans-62.6-44.4175.1-70.9171.7-169.1165.23.9112.1T65 T70 D374 D375 T376 V380 I381 D382T65-R378 PolarHBondContact OG1-NH1 2.57Å; T70-R378 VanDerWaalsContact CG2-NH1 3.26Å; T70-R378 VanDerWaalsContact CG2-NH2 3.29Å; D374-R378 WeakPolarHBondContact O-CG 3.49Å; D374-R378 PolarHBondContact O-N 3.49Å; D375-R378 PolarHBondContact O-N 3.49Å; T376-R378 VanDerWaalsContact C-N 3.31Å; T376-R378 PolarHBondContact O-N 3.47Å; R378-V380 VanDerWaalsContact C-N 3.28Å; R378-V380 PolarHBondContact O-N 3.06Å; R378-I381 PolarHBondContact O-N 3.38Å; R378-D382 PolarHBondContact O-N 3.49Å
379A92.2Very high89.1Confident0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-60-39.7176.600000112.7I161 K164 Q165 D375 T376 G383I161-A379 HydrophobicContact CG2-CB 4.37Å; K164-A379 HydrophobicContact CB-CB 3.78Å; K164-A379 HydrophobicContact CD-CB 4.11Å; Q165-A379 HydrophobicContact CB-CB 4.49Å; Q165-A379 HydrophobicContact CG-CB 3.88Å; D375-A379 PolarHBondContact O-N 3.44Å; T376-A379 PolarHBondContact O-N 3.01Å; A379-G383 PolarHBondContact O-N 3.27Å
380V93.8Very high87.9Confident1 Ų124.3 Ų24.31%0.00613%0.129CC..Hα-helixtrans-64.7-44.1174.7165.50000111.1L172 V176 T198 I363 I365 T376 E377 R378 G383 I384L172-V380 HydrophobicContact CD2-CG2 4.24Å; V176-V380 HydrophobicContact CG2-CB 4.34Å; V176-V380 HydrophobicContact CG2-CG1 3.96Å; V176-V380 HydrophobicContact CG2-CG2 4.18Å; T198-V380 HydrophobicContact CG2-CB 4.46Å; T198-V380 HydrophobicContact CG2-CG1 3.69Å; I363-V380 HydrophobicContact CD1-CG1 3.73Å; I365-V380 HydrophobicContact CD1-CB 4.48Å; I365-V380 HydrophobicContact CD1-CG2 4.24Å; T376-V380 WeakPolarHBondContact O-CG2 3.19Å; T376-V380 PolarHBondContact O-N 3.11Å; E377-V380 PolarHBondContact O-N 2.72Å; R378-V380 VanDerWaalsContact C-N 3.28Å; R378-V380 PolarHBondContact O-N 3.06Å; V380-G383 PolarHBondContact O-N 2.87Å; V380-I384 HydrophobicContact CG1-CD1 3.69Å; V380-I384 HydrophobicContact CG1-CG1 4.43Å; V380-I384 WeakPolarHBondContact O-CD1 3.46Å; V380-I384 VanDerWaalsContact O-CG1 3.25Å; V380-I384 WeakPolarHBondContact O-CG1 3.45Å; V380-I384 PolarHBondContact O-N 3.15Å
381I92.6Very high86.1Confident58 Ų5827.3 Ų27.330%0.29713%0.134SC..Hα-helixtrans-61.9-45.7179.3-70.6165.4000111.5E377 R378 G383 I384 N385E377-I381 HydrophobicContact CG-CD1 3.78Å; E377-I381 HydrophobicContact CG-CG1 4.49Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.47Å; E377-I381 PolarHBondContact O-N 3.27Å; R378-I381 PolarHBondContact O-N 3.38Å; I381-G383 VanDerWaalsContact C-N 3.3Å; I381-G383 PolarHBondContact O-N 3.42Å; I381-I384 PolarHBondContact O-N 2.96Å; I381-I384 VanDerWaalsContact O-N 3.14Å; I381-N385 WeakPolarHBondContact O-CB 3.36Å; I381-N385 VanDerWaalsContact O-CG 3.27Å; I381-N385 PolarHBondContact O-N 3.4Å; I381-N385 PolarHBondContact O-ND2 3.41Å
382D90.9Very high83.8Confident2 Ų227.7 Ų27.71%0.01114%0.14CC..Hα-helixtrans-58.7-43.2175-74.845.3000111.9K164 R378 I384 N385 N386K164-D382 WeakPolarHBondContact CE-OD2 3.35Å; K164-D382 IonicContact NZ-OD1 2.72Å; K164-D382 PolarHBondContact NZ-OD1 2.8Å; K164-D382 IonicContact NZ-OD2 3.49Å; K164-D382 PolarHBondContact NZ-OD2 2.92Å; R378-D382 PolarHBondContact O-N 3.49Å; D382-I384 VanDerWaalsContact C-N 3.32Å; D382-I384 PolarHBondContact O-N 3.01Å; D382-N385 PolarHBondContact O-N 3.33Å; D382-N386 PolarHBondContact O-N 3.08Å; D382-N386 PolarHBondContact O-ND2 3.13Å
383G89.7Confident81.8Confident0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-60.4-40.2175.800000112.7A379 V380 I381 F387A379-G383 PolarHBondContact O-N 3.27Å; V380-G383 PolarHBondContact O-N 2.87Å; I381-G383 VanDerWaalsContact C-N 3.3Å; I381-G383 PolarHBondContact O-N 3.42Å; G383-F387 PolarHBondContact O-N 2.78Å
384I91.4Very high79.8Confident4 Ų428.4 Ų28.42%0.02114%0.144CC..Hα-helixtrans-69.4-42.7176.5-61.5158.9000110.6V176 V193 V196 I363 V380 I381 D382 N386 F387 P388V176-I384 HydrophobicContact CG1-CG1 3.83Å; V193-I384 HydrophobicContact CG1-CG2 3.85Å; V196-I384 HydrophobicContact CB-CD1 3.91Å; V196-I384 HydrophobicContact CB-CG1 4.34Å; V196-I384 HydrophobicContact CB-CG2 4.06Å; V196-I384 HydrophobicContact CG1-CD1 3.43Å; V196-I384 VanDerWaalsContact CG1-CD1 3.43Å; V196-I384 HydrophobicContact CG1-CG1 4Å; V196-I384 HydrophobicContact CG2-CG2 4.24Å; I363-I384 HydrophobicContact CD1-CD1 4.46Å; V380-I384 HydrophobicContact CG1-CD1 3.69Å; V380-I384 HydrophobicContact CG1-CG1 4.43Å; V380-I384 WeakPolarHBondContact O-CD1 3.46Å; V380-I384 VanDerWaalsContact O-CG1 3.25Å; V380-I384 WeakPolarHBondContact O-CG1 3.45Å; V380-I384 PolarHBondContact O-N 3.15Å; I381-I384 PolarHBondContact O-N 2.96Å; I381-I384 VanDerWaalsContact O-N 3.14Å; D382-I384 VanDerWaalsContact C-N 3.32Å; D382-I384 PolarHBondContact O-N 3.01Å; I384-N386 PolarHBondContact O-N 3.45Å; I384-F387 WeakPolarHBondContact O-CB 3.42Å; I384-F387 PolarHBondContact O-N 3.46Å; I384-F387 VanDerWaalsContact O-N 3.14Å; I384-P388 WeakPolarHBondContact O-CD 3.18Å
385N88.9Confident77.7Confident28 Ų2827.6 Ų27.615%0.1514%0.14CC..Hα-helixtrans-62.5-31.6179.3-74.4-22.9000112.4V96 V193 I381 D382 P388 W389V96-N385 WeakPolarHBondContact O-CB 3.46Å; V193-N385 WeakPolarHBondContact CG1-OD1 3.23Å; I381-N385 WeakPolarHBondContact O-CB 3.36Å; I381-N385 VanDerWaalsContact O-CG 3.27Å; I381-N385 PolarHBondContact O-N 3.4Å; I381-N385 PolarHBondContact O-ND2 3.41Å; D382-N385 PolarHBondContact O-N 3.33Å; N385-P388 WeakPolarHBondContact O-CD 3.34Å; N385-W389 PolarHBondContact O-NE1 3.4Å; N385-W389 VanDerWaalsContact O-NE1 3.07Å
386N85.4Confident76Confident0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-74.6-26.2176.2-79-29.7000113.5D98 S160 D382 I384 W389 L390 P459D98-N386 PolarHBondContact OD2-ND2 3.21Å; S160-N386 WeakPolarHBondContact CB-ND2 3.47Å; S160-N386 PolarHBondContact OG-ND2 2.8Å; D382-N386 PolarHBondContact O-N 3.08Å; D382-N386 PolarHBondContact O-ND2 3.13Å; I384-N386 PolarHBondContact O-N 3.45Å; N386-W389 PolarHBondContact O-N 3.2Å; N386-L390 WeakPolarHBondContact O-CG 3.46Å; N386-P459 HydrophobicContact CB-CG 4.43Å
387F83.6Confident74.2Confident14 Ų1433.9 Ų33.96%0.06116%0.164CC..G310 helixtrans-60.3-45.5-175.9-179.1-94.9000116.3V153 I157 C180 L184 F191 G383 I384 W389 L390V153-F387 HydrophobicContact CG1-CD2 3.78Å; V153-F387 HydrophobicContact CG1-CE2 3.74Å; I157-F387 HydrophobicContact CD1-CD2 4.06Å; C180-F387 HydrophobicContact CB-CB 4.44Å; C180-F387 HydrophobicContact CB-CD1 3.71Å; C180-F387 HydrophobicContact CB-CD2 3.59Å; C180-F387 HydrophobicContact CB-CE1 3.68Å; C180-F387 HydrophobicContact CB-CE2 3.54Å; C180-F387 HydrophobicContact CB-CG 3.65Å; C180-F387 HydrophobicContact CB-CZ 3.59Å; L184-F387 HydrophobicContact CD1-CE1 3.77Å; L184-F387 HydrophobicContact CD1-CZ 3.88Å; F191-F387 HydrophobicContact CD1-CD1 4.19Å; F191-F387 HydrophobicContact CD2-CD1 4.23Å; F191-F387 AromaticContact CD2-CE1 3.99Å; F191-F387 HydrophobicContact CD2-CE1 3.99Å; F191-F387 AromaticContact CE1-CD1 3.84Å; F191-F387 HydrophobicContact CE1-CD1 3.84Å; F191-F387 AromaticContact CE2-CD1 3.87Å; F191-F387 HydrophobicContact CE2-CD1 3.87Å; F191-F387 AromaticContact CE2-CE1 3.79Å; F191-F387 HydrophobicContact CE2-CE1 3.79Å; F191-F387 HydrophobicContact CG-CD1 4.37Å; F191-F387 HydrophobicContact CG-CE1 4.44Å; F191-F387 AromaticContact CZ-CD1 3.66Å; F191-F387 HydrophobicContact CZ-CD1 3.66Å; F191-F387 HydrophobicContact CZ-CE1 4.09Å; G383-F387 PolarHBondContact O-N 2.78Å; I384-F387 WeakPolarHBondContact O-CB 3.42Å; I384-F387 PolarHBondContact O-N 3.46Å; I384-F387 VanDerWaalsContact O-N 3.14Å; F387-W389 PolarHBondContact O-N 2.97Å; F387-W389 VanDerWaalsContact O-N 3.11Å; F387-L390 HydrophobicContact CD2-CD1 4.22Å; F387-L390 WeakPolarHBondContact O-CB 3.4Å; F387-L390 PolarHBondContact O-N 2.99Å; F387-L390 VanDerWaalsContact O-N 3.08Å
388P76.5Confident72.4Confident36 Ų3632.7 Ų32.723%0.23416%0.158CC..G310 helixtrans-53.8-33.2178.5-11.89.7000113.1F191 V193 I384 N385 L390F191-P388 HydrophobicContact CD1-CB 4.16Å; F191-P388 HydrophobicContact CD1-CG 3.78Å; F191-P388 HydrophobicContact CE1-CG 4.03Å; V193-P388 HydrophobicContact CG2-CG 4.08Å; I384-P388 WeakPolarHBondContact O-CD 3.18Å; N385-P388 WeakPolarHBondContact O-CD 3.34Å; P388-L390 VanDerWaalsContact C-N 3.29Å; P388-L390 PolarHBondContact O-N 3.45Å
389W70.6Confident70.8Confident66 Ų6632 Ų3225%0.2516%0.159CC..G310 helixtrans-84.55-175.8-44.6117.5000114.1N385 N386 F387 S392 L461N385-W389 PolarHBondContact O-NE1 3.4Å; N385-W389 VanDerWaalsContact O-NE1 3.07Å; N386-W389 PolarHBondContact O-N 3.2Å; F387-W389 PolarHBondContact O-N 2.97Å; F387-W389 VanDerWaalsContact O-N 3.11Å; W389-S392 CarbonylContact C-O 3.56Å; W389-L461 HydrophobicContact CD2-CD2 3.34Å; W389-L461 HydrophobicContact CE3-CD2 3.36Å; W389-L461 HydrophobicContact CG-CD2 3.96Å; W389-L461 HydrophobicContact CH2-CD2 3.7Å; W389-L461 HydrophobicContact CZ2-CD2 3.7Å; W389-L461 HydrophobicContact CZ3-CD2 3.53Å
390L65.6Low69.1Low30 Ų3034.1 Ų34.116%0.15718%0.176CC..G310 helixtrans-91.6-19.2-177.7-61.2176000113.6V153 V156 I157 N386 F387 P388V153-L390 HydrophobicContact CB-CD1 4.17Å; V153-L390 HydrophobicContact CG1-CD1 3.66Å; V153-L390 HydrophobicContact CG2-CB 4.32Å; V153-L390 HydrophobicContact CG2-CD1 4.24Å; V156-L390 HydrophobicContact CB-CD1 4.42Å; V156-L390 HydrophobicContact CB-CD2 3.69Å; V156-L390 HydrophobicContact CG1-CD2 3.57Å; V156-L390 HydrophobicContact CG2-CD2 3.78Å; I157-L390 HydrophobicContact CD1-CD1 4.44Å; I157-L390 HydrophobicContact CG1-CD1 4.26Å; N386-L390 WeakPolarHBondContact O-CG 3.46Å; F387-L390 HydrophobicContact CD2-CD1 4.22Å; F387-L390 WeakPolarHBondContact O-CB 3.4Å; F387-L390 PolarHBondContact O-N 2.99Å; F387-L390 VanDerWaalsContact O-N 3.08Å; P388-L390 VanDerWaalsContact C-N 3.29Å; P388-L390 PolarHBondContact O-N 3.45Å
391K54Low67.7Low112 Ų11234.4 Ų34.449%0.48718%0.178SC..SBendtrans-87-32-174.2-79.2-171.4170.6-163.10113.9L184 P188L184-K391 HydrophobicContact CD1-CD 4.4Å; P188-K391 HydrophobicContact CB-CD 3.28Å; P188-K391 HydrophobicContact CG-CD 4.07Å
392S42.9Very low66.3Low57 Ų5731.7 Ų31.740%0.39916%0.164SC..SBendtrans-99.5137.1157.742.60000105.2W389W389-S392 CarbonylContact C-O 3.56Å
393V48.1Very low64.9Low60 Ų6035.3 Ų35.336%0.36418%0.183SC..SBendtrans88.793.3142174.80000117.8Y460V393-Y460 HydrophobicContact CG1-CD1 3.65Å; V393-Y460 HydrophobicContact CG1-CE1 4.35Å; V393-Y460 HydrophobicContact CG1-CG 4.03Å
394L49.7Very low63.5Low16 Ų1636 Ų368%0.08419%0.188CC..  trans63.3102.8132-1.3155.6000118.5I146 T147 Y460I146-L394 HydrophobicContact CB-CB 4.02Å; I146-L394 HydrophobicContact CB-CD1 4.3Å; I146-L394 HydrophobicContact CB-CD2 3.71Å; I146-L394 HydrophobicContact CB-CG 4.07Å; I146-L394 HydrophobicContact CD1-CD1 3.16Å; I146-L394 HydrophobicContact CD1-CD2 3.55Å; I146-L394 HydrophobicContact CD1-CG 3.81Å; I146-L394 HydrophobicContact CG1-CB 3.78Å; I146-L394 HydrophobicContact CG1-CD1 3.23Å; I146-L394 HydrophobicContact CG1-CD2 3.53Å; I146-L394 HydrophobicContact CG1-CG 3.52Å; I146-L394 HydrophobicContact CG2-CB 3.94Å; I146-L394 HydrophobicContact CG2-CD2 3.04Å; I146-L394 HydrophobicContact CG2-CG 3.88Å; T147-L394 WeakPolarHBondContact O-CA 3.33Å; L394-Y460 HydrophobicContact CB-CG 4.48Å; L394-Y460 HydrophobicContact CD1-CD1 3.83Å; L394-Y460 HydrophobicContact CD1-CD2 3.21Å; L394-Y460 HydrophobicContact CD1-CE1 4.2Å; L394-Y460 HydrophobicContact CD1-CE2 3.65Å; L394-Y460 HydrophobicContact CD1-CG 3.35Å; L394-Y460 HydrophobicContact CG-CD2 4.26Å; L394-Y460 HydrophobicContact CG-CG 4.17Å; L394-Y460 WeakPolarHBondContact O-CB 3.3Å; L394-Y460 PolarHBondContact O-N 3.12Å
395L49.1Very low62Low13 Ų1335.8 Ų35.87%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-79.7129.4166.4-60.2-171000111.3T147 Y149 A152 V156 Y457T147-L395 PolarHBondContact O-N 3.5Å; T147-L395 PolarHBondContact OG1-O 3.29Å; Y149-L395 HydrophobicContact CD2-CD1 4.04Å; Y149-L395 HydrophobicContact CD2-CG 4.5Å; Y149-L395 HydrophobicContact CG-CD1 4.09Å; A152-L395 HydrophobicContact CB-CD1 3.55Å; V156-L395 HydrophobicContact CG2-CD1 4.25Å; V156-L395 HydrophobicContact CG2-CD2 3.23Å; V156-L395 HydrophobicContact CG2-CG 4.4Å; L395-Y457 HydrophobicContact CB-CD1 3.66Å; L395-Y457 HydrophobicContact CB-CE1 4.35Å; L395-Y457 HydrophobicContact CB-CG 4.04Å; L395-Y457 HydrophobicContact CD1-CD1 3.76Å; L395-Y457 HydrophobicContact CD1-CD2 3.81Å; L395-Y457 HydrophobicContact CD1-CE1 4.12Å; L395-Y457 HydrophobicContact CD1-CE2 4.18Å; L395-Y457 HydrophobicContact CD1-CG 3.58Å; L395-Y457 HydrophobicContact CG-CD1 4.29Å; L395-Y457 HydrophobicContact CG-CG 4.26Å
396F54.8Low60.8Low2 Ų235.7 Ų35.71%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-86.6141.7166.2-81.4-68.5000111.9L142 I145 T398 F401 Y457 D458 Y460 K463L142-F396 HydrophobicContact CB-CZ 4.38Å; L142-F396 HydrophobicContact CD1-CD1 4.41Å; L142-F396 HydrophobicContact CD1-CD2 4.34Å; L142-F396 HydrophobicContact CD1-CE1 3.57Å; L142-F396 HydrophobicContact CD1-CE2 3.42Å; L142-F396 VanDerWaalsContact CD1-CE2 3.42Å; L142-F396 HydrophobicContact CD1-CZ 3.04Å; L142-F396 HydrophobicContact CD2-CE2 4.49Å; L142-F396 HydrophobicContact CD2-CZ 4.48Å; L142-F396 HydrophobicContact CG-CE1 4.26Å; L142-F396 HydrophobicContact CG-CE2 3.83Å; L142-F396 HydrophobicContact CG-CZ 3.39Å; L142-F396 WeakPolarHBondContact O-CZ 3.21Å; I145-F396 HydrophobicContact CB-CE1 4.33Å; F396-T398 PolarHBondContact O-N 3.35Å; F396-T398 VanDerWaalsContact O-N 3.16Å; F396-F401 HydrophobicContact CD1-CB 3.78Å; F396-F401 HydrophobicContact CD1-CD2 4.14Å; F396-F401 HydrophobicContact CD1-CG 4.03Å; F396-F401 HydrophobicContact CE1-CB 4.18Å; F396-F401 AromaticContact CE1-CD2 3.66Å; F396-F401 HydrophobicContact CE1-CD2 3.66Å; F396-F401 HydrophobicContact CE1-CE2 4.35Å; F396-F401 AromaticContact CE1-CG 3.95Å; F396-F401 HydrophobicContact CE1-CG 3.95Å; F396-F401 HydrophobicContact CZ-CD2 4.49Å; F396-Y457 WeakPolarHBondContact O-CA 3.45Å; F396-D458 HydrophobicContact CB-CB 4.25Å; F396-D458 PolarHBondContact N-O 3.5Å; F396-D458 PolarHBondContact O-N 3.37Å; F396-Y460 VanDerWaalsContact CE2-CA 3.43Å; F396-Y460 AromaticContact CE2-CD2 3.36Å; F396-Y460 HydrophobicContact CE2-CD2 3.36Å; F396-Y460 HydrophobicContact CE2-CE2 4.39Å; F396-Y460 AromaticContact CE2-CG 3.87Å; F396-Y460 HydrophobicContact CE2-CG 3.87Å; F396-Y460 AromaticContact CZ-CD2 3.57Å; F396-Y460 HydrophobicContact CZ-CD2 3.57Å; F396-Y460 HydrophobicContact CZ-CE2 4.3Å; F396-Y460 HydrophobicContact CZ-CG 4.49Å; F396-K463 HydrophobicContact CD2-CB 4.48Å; F396-K463 HydrophobicContact CD2-CG 4.18Å; F396-K463 HydrophobicContact CE2-CB 4.48Å
397R53.9Low59.8Low134 Ų13444.5 Ų44.551%0.50622%0.221SC..EExtended strand (participates in β ladder)trans-67.8103.6151-67.8-178.3-178.9-146.54.1106.8T399 A400 F401 V452R397-T399 PolarHBondContact O-N 2.95Å; R397-A400 HydrophobicContact CB-CB 3.65Å; R397-A400 PolarHBondContact O-N 3.4Å; R397-F401 PolarHBondContact O-N 3.03Å; R397-V452 HydrophobicContact CG-CG2 4.5Å
398T56.6Low58.7Low11 Ų1145.6 Ų45.67%0.06723%0.227CC..THydrogen-bonded Turntrans-44.7-35.1-162.146.60000116.6F396 I456 D458F396-T398 PolarHBondContact O-N 3.35Å; F396-T398 VanDerWaalsContact O-N 3.16Å; T398-I456 HydrophobicContact CG2-CG2 3.73Å; T398-D458 WeakPolarHBondContact CA-OD2 3.49Å; T398-D458 WeakPolarHBondContact CB-OD2 3.29Å; T398-D458 HydrophobicContact CG2-CB 3.77Å; T398-D458 VanDerWaalsContact CG2-N 3.3Å; T398-D458 WeakPolarHBondContact CG2-OD1 3.18Å; T398-D458 VanDerWaalsContact CG2-OD2 3.24Å; T398-D458 WeakPolarHBondContact CG2-OD2 3.38Å
399T56.2Low58Low29 Ų2944.4 Ų44.418%0.17822%0.22CC..THydrogen-bonded Turntrans-117.8-17.2176.845.40000114.7R397 F401 L402 L403 L437 M451R397-T399 PolarHBondContact O-N 2.95Å; T399-F401 VanDerWaalsContact C-N 3.27Å; T399-F401 PolarHBondContact O-N 2.91Å; T399-L402 PolarHBondContact O-N 3.27Å; T399-L403 PolarHBondContact O-N 3.31Å; T399-L437 HydrophobicContact CG2-CD1 3.78Å; T399-M451 HydrophobicContact CG2-CE 4.47Å; T399-M451 VanDerWaalsContact OG1-CE 3.28Å; T399-M451 WeakPolarHBondContact OG1-CE 3.39Å
400A57.8Low57.5Low43 Ų4346.7 Ų46.736%0.35524%0.236SC..Hα-helixtrans-67.9-30.5-178.100000111.9R397 A404R397-A400 HydrophobicContact CB-CB 3.65Å; R397-A400 PolarHBondContact O-N 3.4Å; A400-A404 WeakPolarHBondContact O-CB 3.31Å; A400-A404 PolarHBondContact O-N 2.94Å
401F63.3Low57.4Low7 Ų750 Ų503%0.03125%0.254CS..Hα-helixtrans-59.2-48.7174173.8-99.5000111.7Y141 L142 I145 F396 R397 T399 L403 A404 V405 I467Y141-F401 HydrophobicContact CD1-CD2 4.19Å; Y141-F401 AromaticContact CD1-CE2 3.49Å; Y141-F401 HydrophobicContact CD1-CE2 3.49Å; Y141-F401 VanDerWaalsContact CD1-CE2 3.49Å; Y141-F401 HydrophobicContact CD1-CZ 4.22Å; Y141-F401 HydrophobicContact CE1-CD2 4.35Å; Y141-F401 HydrophobicContact CE1-CE2 4.09Å; Y141-F401 HydrophobicContact CG-CE2 4.33Å; L142-F401 HydrophobicContact CB-CE2 3.83Å; L142-F401 HydrophobicContact CB-CZ 3.64Å; L142-F401 HydrophobicContact CD1-CD1 3.7Å; L142-F401 HydrophobicContact CD1-CD2 3.83Å; L142-F401 HydrophobicContact CD1-CE1 3.33Å; L142-F401 HydrophobicContact CD1-CE2 3.52Å; L142-F401 HydrophobicContact CD1-CG 3.95Å; L142-F401 HydrophobicContact CD1-CZ 3.24Å; L142-F401 HydrophobicContact CG-CE1 4.48Å; L142-F401 HydrophobicContact CG-CE2 4.25Å; L142-F401 HydrophobicContact CG-CZ 4.03Å; I145-F401 HydrophobicContact CD1-CD2 3.51Å; I145-F401 HydrophobicContact CD1-CE2 4.01Å; I145-F401 HydrophobicContact CG1-CD2 4.46Å; F396-F401 HydrophobicContact CD1-CB 3.78Å; F396-F401 HydrophobicContact CD1-CD2 4.14Å; F396-F401 HydrophobicContact CD1-CG 4.03Å; F396-F401 HydrophobicContact CE1-CB 4.18Å; F396-F401 AromaticContact CE1-CD2 3.66Å; F396-F401 HydrophobicContact CE1-CD2 3.66Å; F396-F401 HydrophobicContact CE1-CE2 4.35Å; F396-F401 AromaticContact CE1-CG 3.95Å; F396-F401 HydrophobicContact CE1-CG 3.95Å; F396-F401 HydrophobicContact CZ-CD2 4.49Å; R397-F401 PolarHBondContact O-N 3.03Å; T399-F401 VanDerWaalsContact C-N 3.27Å; T399-F401 PolarHBondContact O-N 2.91Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 2.95Å; F401-A404 CarbonylContact O-C 3.27Å; F401-A404 WeakPolarHBondContact O-CA 3.44Å; F401-A404 WeakPolarHBondContact O-CB 3.35Å; F401-A404 PolarHBondContact O-N 3.12Å; F401-V405 HydrophobicContact CD1-CG2 4.03Å; F401-V405 HydrophobicContact CD2-CG2 4.32Å; F401-V405 HydrophobicContact CE1-CG2 3.42Å; F401-V405 VanDerWaalsContact CE1-CG2 3.42Å; F401-V405 HydrophobicContact CE2-CG2 3.73Å; F401-V405 HydrophobicContact CG-CG2 4.44Å; F401-V405 HydrophobicContact CZ-CG2 3.24Å; F401-V405 VanDerWaalsContact O-CG2 3.31Å; F401-V405 WeakPolarHBondContact O-CG2 3.48Å; F401-V405 PolarHBondContact O-N 3.16Å; F401-I467 HydrophobicContact CE1-CD1 3.83Å; F401-I467 HydrophobicContact CZ-CD1 4.44Å
402L62.4Low57.9Low2 Ų245.7 Ų45.71%0.0124%0.235CC..Hα-helixtrans-65-40-176.9-65.1169.7000111.5T399 A404 V405 V406 M430 L433T399-L402 PolarHBondContact O-N 3.27Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.44Å; L402-V405 WeakPolarHBondContact O-CB 3.29Å; L402-V405 PolarHBondContact O-N 3.1Å; L402-V406 WeakPolarHBondContact O-CG2 3.31Å; L402-V406 PolarHBondContact O-N 3Å; L402-V406 VanDerWaalsContact O-N 3.12Å; L402-M430 HydrophobicContact CD2-SD 4.03Å; L402-L433 HydrophobicContact CD1-CB 3.81Å; L402-L433 HydrophobicContact CD1-CD1 3.63Å; L402-L433 HydrophobicContact CD1-CG 4.33Å; L402-L433 HydrophobicContact CD2-CD1 4.37Å
403L63Low58.8Low77 Ų7746 Ų4640%0.40323%0.231SC..Hα-helixtrans-68.5-32173.4-68.1172000112.3T399 F401 V406 R407 P434T399-L403 PolarHBondContact O-N 3.31Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 2.95Å; L403-V406 WeakPolarHBondContact O-CB 3.19Å; L403-V406 PolarHBondContact O-N 3.39Å; L403-R407 WeakPolarHBondContact O-CG 3.33Å; L403-R407 PolarHBondContact O-N 3.11Å; L403-P434 HydrophobicContact CD2-CG 4.45Å
404A59.4Low59.7Low15 Ų1549.8 Ų49.812%0.12425%0.249CC..Hα-helixtrans-71.9-35.2175.200000112.1Y141 A400 F401 L402 V406 R407 L408Y141-A404 HydrophobicContact CE1-CB 3.73Å; Y141-A404 WeakPolarHBondContact OH-CB 3.47Å; A400-A404 WeakPolarHBondContact O-CB 3.31Å; A400-A404 PolarHBondContact O-N 2.94Å; F401-A404 CarbonylContact O-C 3.27Å; F401-A404 WeakPolarHBondContact O-CA 3.44Å; F401-A404 WeakPolarHBondContact O-CB 3.35Å; F401-A404 PolarHBondContact O-N 3.12Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.44Å; A404-V406 VanDerWaalsContact C-N 3.29Å; A404-V406 PolarHBondContact O-N 3.21Å; A404-R407 PolarHBondContact O-N 2.88Å; A404-R407 VanDerWaalsContact O-N 3.14Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 2.99Å
405V61.1Low60.6Low0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-59.4-41.1169.3168.90000110.5Y141 F401 L402 L408 S409 W412 M430Y141-V405 HydrophobicContact CD1-CG2 3.92Å; Y141-V405 HydrophobicContact CE1-CG2 4.4Å; F401-V405 HydrophobicContact CD1-CG2 4.03Å; F401-V405 HydrophobicContact CD2-CG2 4.32Å; F401-V405 HydrophobicContact CE1-CG2 3.42Å; F401-V405 VanDerWaalsContact CE1-CG2 3.42Å; F401-V405 HydrophobicContact CE2-CG2 3.73Å; F401-V405 HydrophobicContact CG-CG2 4.44Å; F401-V405 HydrophobicContact CZ-CG2 3.24Å; F401-V405 VanDerWaalsContact O-CG2 3.31Å; F401-V405 WeakPolarHBondContact O-CG2 3.48Å; F401-V405 PolarHBondContact O-N 3.16Å; L402-V405 WeakPolarHBondContact O-CB 3.29Å; L402-V405 PolarHBondContact O-N 3.1Å; V405-L408 PolarHBondContact O-N 3.17Å; V405-S409 PolarHBondContact O-N 3.21Å; V405-W412 HydrophobicContact CG1-CH2 3.7Å; V405-W412 HydrophobicContact CG1-CZ3 4.32Å; V405-W412 VanDerWaalsContact O-CH2 3.31Å; V405-W412 WeakPolarHBondContact O-CH2 3.28Å; V405-M430 HydrophobicContact CG1-CB 4.33Å; V405-M430 HydrophobicContact CG1-CG 3.94Å
406V62.1Low61.9Low25 Ų2556.1 Ų56.115%0.15229%0.292CS..Hα-helixtrans-64-42.9172.7175.10000111.4L402 L403 A404 L408 S409 E431L402-V406 WeakPolarHBondContact O-CG2 3.31Å; L402-V406 PolarHBondContact O-N 3Å; L402-V406 VanDerWaalsContact O-N 3.12Å; L403-V406 WeakPolarHBondContact O-CB 3.19Å; L403-V406 PolarHBondContact O-N 3.39Å; A404-V406 VanDerWaalsContact C-N 3.29Å; A404-V406 PolarHBondContact O-N 3.21Å; V406-L408 PolarHBondContact O-N 2.97Å; V406-S409 WeakPolarHBondContact O-CB 3.36Å; V406-S409 PolarHBondContact O-N 3.49Å; V406-S409 VanDerWaalsContact O-N 3.07Å; V406-S409 PolarHBondContact O-OG 3.09Å; V406-E431 HydrophobicContact CG1-CG 4.36Å; V406-E431 VanDerWaalsContact CG1-OE1 3.31Å; V406-E431 WeakPolarHBondContact CG1-OE1 3.47Å; V406-E431 HydrophobicContact CG2-CG 3.48Å; V406-E431 VanDerWaalsContact CG2-CG 3.48Å
407R64.2Low63.2Low186 Ų18658.1 Ų58.170%0.70231%0.314SS*.Hα-helixtrans-63.5-33.7176.6-72.1176.3-175.8170.21.8112.5L403 A404 S409 L410L403-R407 WeakPolarHBondContact O-CG 3.33Å; L403-R407 PolarHBondContact O-N 3.11Å; A404-R407 PolarHBondContact O-N 2.88Å; A404-R407 VanDerWaalsContact O-N 3.14Å; R407-S409 VanDerWaalsContact C-N 3.31Å; R407-L410 WeakPolarHBondContact O-CB 3.48Å; R407-L410 PolarHBondContact O-N 2.99Å
408L61.1Low64.6Low37 Ų3756.8 Ų56.819%0.19431%0.314CS..Hα-helixtrans-72.8-23.1174.4-74.4176.6000113.8Y141 A404 V405 V406 L410 N411 W412Y141-L408 HydrophobicContact CD1-CD1 3.22Å; Y141-L408 HydrophobicContact CD1-CG 4.48Å; Y141-L408 HydrophobicContact CD2-CD1 3.28Å; Y141-L408 HydrophobicContact CD2-CG 4.5Å; Y141-L408 HydrophobicContact CE1-CD1 3.31Å; Y141-L408 HydrophobicContact CE1-CG 4.2Å; Y141-L408 HydrophobicContact CE2-CD1 3.42Å; Y141-L408 VanDerWaalsContact CE2-CD1 3.42Å; Y141-L408 HydrophobicContact CE2-CD2 4.48Å; Y141-L408 HydrophobicContact CE2-CG 4.28Å; Y141-L408 HydrophobicContact CG-CD1 3.15Å; Y141-L408 VanDerWaalsContact CZ-CD1 3.41Å; A404-L408 WeakPolarHBondContact O-CG 3.47Å; A404-L408 PolarHBondContact O-N 2.99Å; V405-L408 PolarHBondContact O-N 3.17Å; V406-L408 PolarHBondContact O-N 2.97Å; L408-L410 PolarHBondContact O-N 3.3Å; L408-N411 WeakPolarHBondContact O-CA 3.46Å; L408-N411 VanDerWaalsContact O-CB 3.31Å; L408-N411 WeakPolarHBondContact O-CB 3.45Å; L408-N411 PolarHBondContact O-N 3.37Å; L408-W412 HydrophobicContact CB-CH2 4.24Å; L408-W412 HydrophobicContact CB-CZ2 3.58Å; L408-W412 HydrophobicContact CD1-CZ2 4.29Å; L408-W412 PolarHBondContact O-N 2.95Å; L408-W412 VanDerWaalsContact O-N 3.16Å; L408-W412 PolarHBondContact O-NE1 3.46Å
409S61.3Low65.9Low11 Ų1159.5 Ų59.58%0.07733%0.326CS..Hα-helixtrans-61.3-26.7174.784.20000112.8V405 V406 R407 N411 W412 L413 A427V405-S409 PolarHBondContact O-N 3.21Å; V406-S409 WeakPolarHBondContact O-CB 3.36Å; V406-S409 PolarHBondContact O-N 3.49Å; V406-S409 VanDerWaalsContact O-N 3.07Å; V406-S409 PolarHBondContact O-OG 3.09Å; R407-S409 VanDerWaalsContact C-N 3.31Å; S409-N411 PolarHBondContact O-N 3.36Å; S409-W412 VanDerWaalsContact CB-CE3 3.49Å; S409-W412 CarbonylContact O-C 3.57Å; S409-W412 WeakPolarHBondContact O-CA 3.47Å; S409-W412 WeakPolarHBondContact O-CB 3.42Å; S409-W412 PolarHBondContact O-N 3.49Å; S409-L413 PolarHBondContact O-N 3.03Å; S409-A427 WeakPolarHBondContact OG-CB 3.46Å
410L61.2Low67.4Low113 Ų11361.2 Ų61.259%0.59233%0.332SS*.Hα-helixtrans-59.3-36.3169.9-60.2175.1000112R407 L408 W412 L413R407-L410 WeakPolarHBondContact O-CB 3.48Å; R407-L410 PolarHBondContact O-N 2.99Å; L408-L410 PolarHBondContact O-N 3.3Å; L410-W412 VanDerWaalsContact C-N 3.35Å; L410-L413 HydrophobicContact CD2-CD1 4.14Å; L410-L413 WeakPolarHBondContact O-CB 2.85Å
411N63.5Low68.9Low100 Ų10065 Ų6554%0.53534%0.338SS..Hα-helixtrans-74.7-27.1173-65.6-19.8000111.8L408 S409 L413 L414L408-N411 WeakPolarHBondContact O-CA 3.46Å; L408-N411 VanDerWaalsContact O-CB 3.31Å; L408-N411 WeakPolarHBondContact O-CB 3.45Å; L408-N411 PolarHBondContact O-N 3.37Å; S409-N411 PolarHBondContact O-N 3.36Å; N411-L413 VanDerWaalsContact C-N 3.31Å; N411-L414 WeakPolarHBondContact O-CB 3.21Å; N411-L414 PolarHBondContact O-N 3.07Å
412W64.7Low70.2Confident22 Ų2264.7 Ų64.78%0.08334%0.337CS..Hα-helixtrans-77.3-17.8178.3-49.8-26.5000113.4V405 L408 S409 L410 L414 C415 I423 A427V405-W412 HydrophobicContact CG1-CH2 3.7Å; V405-W412 HydrophobicContact CG1-CZ3 4.32Å; V405-W412 VanDerWaalsContact O-CH2 3.31Å; V405-W412 WeakPolarHBondContact O-CH2 3.28Å; L408-W412 HydrophobicContact CB-CH2 4.24Å; L408-W412 HydrophobicContact CB-CZ2 3.58Å; L408-W412 HydrophobicContact CD1-CZ2 4.29Å; L408-W412 PolarHBondContact O-N 2.95Å; L408-W412 VanDerWaalsContact O-N 3.16Å; L408-W412 PolarHBondContact O-NE1 3.46Å; S409-W412 VanDerWaalsContact CB-CE3 3.49Å; S409-W412 CarbonylContact O-C 3.57Å; S409-W412 WeakPolarHBondContact O-CA 3.47Å; S409-W412 WeakPolarHBondContact O-CB 3.42Å; S409-W412 PolarHBondContact O-N 3.49Å; L410-W412 VanDerWaalsContact C-N 3.35Å; W412-L414 PolarHBondContact O-N 3.41Å; W412-L414 VanDerWaalsContact O-N 3.11Å; W412-C415 WeakPolarHBondContact O-CB 3.45Å; W412-C415 PolarHBondContact O-N 3.17Å; W412-C415 PolarHBondContact O-SG 2.86Å; W412-C415 VanDerWaalsContact O-SG 3.36Å; W412-I423 HydrophobicContact CB-CG2 3.58Å; W412-I423 HydrophobicContact CD2-CG2 4.17Å; W412-I423 HydrophobicContact CE3-CG2 3.72Å; W412-I423 HydrophobicContact CG-CG2 4.16Å; W412-A427 HydrophobicContact CE3-CB 4.48Å; W412-A427 HydrophobicContact CZ3-CB 4.08Å
413L61Low71.5Confident62 Ų6264.8 Ų64.833%0.32534%0.337SS..THydrogen-bonded Turntrans-59.4-17168.6-66.8170.1000112.7S409 L410 N411 C415 Q420 N424S409-L413 PolarHBondContact O-N 3.03Å; L410-L413 HydrophobicContact CD2-CD1 4.14Å; L410-L413 WeakPolarHBondContact O-CB 2.85Å; N411-L413 VanDerWaalsContact C-N 3.31Å; L413-C415 VanDerWaalsContact C-N 3.28Å; L413-C415 PolarHBondContact O-N 3.15Å; L413-Q420 HydrophobicContact CD2-CG 4.27Å; L413-Q420 PolarHBondContact O-NE2 2.79Å; L413-N424 HydrophobicContact CD2-CB 4.32Å
414L66.9Low72.6Confident141 Ų14164.3 Ų64.374%0.73834%0.335SS*.THydrogen-bonded Turntrans-78.3-8.9176.3-63.3165.4000113.4N411 W412 P416N411-L414 WeakPolarHBondContact O-CB 3.21Å; N411-L414 PolarHBondContact O-N 3.07Å; W412-L414 PolarHBondContact O-N 3.41Å; W412-L414 VanDerWaalsContact O-N 3.11Å; L414-P416 WeakPolarHBondContact O-CD 3.26Å
415C69.8Low74.1Confident33 Ų3366 Ų6622%0.22334%0.34CS..SBendtrans-70119.8178.4-63.80000109.9K137 W412 L413 I423K137-C415 PolarHBondContact NZ-SG 2.98Å; W412-C415 WeakPolarHBondContact O-CB 3.45Å; W412-C415 PolarHBondContact O-N 3.17Å; W412-C415 PolarHBondContact O-SG 2.86Å; W412-C415 VanDerWaalsContact O-SG 3.36Å; L413-C415 VanDerWaalsContact C-N 3.28Å; L413-C415 PolarHBondContact O-N 3.15Å; C415-I423 HydrophobicContact CB-CD1 4.38Å
416P74.7Confident75.5Confident128 Ų12866 Ų6683%0.83134%0.34SS*.  trans-71.5134.7178.429.2-33.5000110.6L414L414-P416 WeakPolarHBondContact O-CD 3.26Å
417G82.3Confident76.7Confident45 Ų4564.8 Ų64.846%0.46433%0.333SS..SBendtrans126.8174.1170.500000114.5E419 Q420G417-E419 PolarHBondContact O-N 3.47Å; G417-Q420 WeakPolarHBondContact O-CB 3.25Å; G417-Q420 PolarHBondContact O-N 3.02Å
418M84.5Confident77.9Confident105 Ų10558.2 Ų58.252%0.51731%0.313SS..THydrogen-bonded Turntrans-66.2-19-179.9-60.9-58.9-70.100112.9L122 M126 Q420 Y421L122-M418 HydrophobicContact CD2-CB 4.4Å; L122-M418 HydrophobicContact CD2-CE 4.09Å; M126-M418 HydrophobicContact SD-CB 4.39Å; M418-Q420 PolarHBondContact O-N 3.34Å; M418-Y421 HydrophobicContact CE-CD2 4.42Å; M418-Y421 HydrophobicContact CE-CE2 4.11Å; M418-Y421 WeakPolarHBondContact O-CD2 3.4Å; M418-Y421 PolarHBondContact O-N 2.93Å; M418-Y421 HydrophobicContact SD-CE2 4.32Å
419E84.3Confident79.3Confident68 Ų6856.5 Ų56.532%0.31830%0.304SS..Hα-helixtrans-65.8-20.3177.7-59.6-178.4154.300112.6S129 L133 G417 Y421 S422 I423S129-E419 VanDerWaalsContact CB-OE1 3.3Å; S129-E419 WeakPolarHBondContact CB-OE1 3.49Å; S129-E419 PolarHBondContact OG-OE1 3.27Å; L133-E419 WeakPolarHBondContact CD1-OE2 3.42Å; G417-E419 PolarHBondContact O-N 3.47Å; E419-Y421 PolarHBondContact O-N 3.18Å; E419-S422 WeakPolarHBondContact O-CB 3.22Å; E419-S422 PolarHBondContact O-N 3.44Å; E419-I423 HydrophobicContact CB-CD1 4.46Å; E419-I423 WeakPolarHBondContact O-CG1 3.34Å; E419-I423 PolarHBondContact O-N 2.76Å
420Q87.5Confident80.6Confident65 Ų6556 Ų5630%0.30430%0.3SS..Hα-helixtrans-54.8-39.1177-173.4-173-6.500112.1L413 G417 M418 I423 N424L413-Q420 HydrophobicContact CD2-CG 4.27Å; L413-Q420 PolarHBondContact O-NE2 2.79Å; G417-Q420 WeakPolarHBondContact O-CB 3.25Å; G417-Q420 PolarHBondContact O-N 3.02Å; M418-Q420 PolarHBondContact O-N 3.34Å; Q420-I423 PolarHBondContact O-N 3.39Å; Q420-N424 WeakPolarHBondContact O-CB 3.28Å; Q420-N424 PolarHBondContact O-N 3.03Å
421Y89.2Confident81.8Confident123 Ų12352.9 Ų52.948%0.48228%0.283SS..Hα-helixtrans-63.7-43.6178-63.6-73.6000111.6L122 M418 E419 N424 K425L122-Y421 HydrophobicContact CD1-CG 4.45Å; M418-Y421 HydrophobicContact CE-CD2 4.42Å; M418-Y421 HydrophobicContact CE-CE2 4.11Å; M418-Y421 WeakPolarHBondContact O-CD2 3.4Å; M418-Y421 PolarHBondContact O-N 2.93Å; M418-Y421 HydrophobicContact SD-CE2 4.32Å; E419-Y421 PolarHBondContact O-N 3.18Å; Y421-N424 PolarHBondContact O-N 3.07Å; Y421-K425 PolarHBondContact O-N 3.41Å
422S90.5Very high83Confident0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-63.2-45.7176.3-50.70000111.4M126 V127 Y131 E419 N424 K425 F426M126-S422 PolarHBondContact O-OG 3.27Å; V127-S422 WeakPolarHBondContact CA-OG 3.28Å; Y131-S422 WeakPolarHBondContact CE1-O 3.36Å; E419-S422 WeakPolarHBondContact O-CB 3.22Å; E419-S422 PolarHBondContact O-N 3.44Å; S422-N424 PolarHBondContact O-N 2.98Å; S422-K425 PolarHBondContact O-N 3.32Å; S422-F426 WeakPolarHBondContact O-CB 3.48Å; S422-F426 PolarHBondContact O-N 2.68Å
423I88.8Confident84.2Confident4 Ų448.4 Ų48.42%0.02126%0.262CS..Hα-helixtrans-64.5-40.8179-63.2163.6000111.4A134 W412 C415 E419 Q420 F426 A427A134-I423 HydrophobicContact CB-CB 4.48Å; A134-I423 HydrophobicContact CB-CG1 4.24Å; A134-I423 HydrophobicContact CB-CG2 4.19Å; W412-I423 HydrophobicContact CB-CG2 3.58Å; W412-I423 HydrophobicContact CD2-CG2 4.17Å; W412-I423 HydrophobicContact CE3-CG2 3.72Å; W412-I423 HydrophobicContact CG-CG2 4.16Å; C415-I423 HydrophobicContact CB-CD1 4.38Å; E419-I423 HydrophobicContact CB-CD1 4.46Å; E419-I423 WeakPolarHBondContact O-CG1 3.34Å; E419-I423 PolarHBondContact O-N 2.76Å; Q420-I423 PolarHBondContact O-N 3.39Å; I423-F426 WeakPolarHBondContact O-CB 3.37Å; I423-F426 PolarHBondContact O-N 3.35Å; I423-A427 PolarHBondContact O-N 3.37Å; I423-A427 VanDerWaalsContact O-N 3.07Å
424N87.3Confident85.4Confident68 Ų6846.8 Ų46.836%0.36426%0.255SS..Hα-helixtrans-62.7-47.8176.8-173.38.6000111.1L413 Q420 Y421 S422 F426 A427 V428L413-N424 HydrophobicContact CD2-CB 4.32Å; Q420-N424 WeakPolarHBondContact O-CB 3.28Å; Q420-N424 PolarHBondContact O-N 3.03Å; Y421-N424 PolarHBondContact O-N 3.07Å; S422-N424 PolarHBondContact O-N 2.98Å; N424-F426 VanDerWaalsContact C-N 3.3Å; N424-F426 PolarHBondContact O-N 3.11Å; N424-A427 WeakPolarHBondContact O-CB 3.25Å; N424-A427 PolarHBondContact O-N 2.97Å; N424-A427 VanDerWaalsContact O-N 3.11Å; N424-V428 WeakPolarHBondContact O-CG2 3.43Å; N424-V428 PolarHBondContact O-N 3.16Å
425K90.5Very high86.4Confident49 Ų4944.9 Ų44.921%0.21324%0.241CC..Hα-helixtrans-64.8-32.2176.4-79.7-65-177.7173.70113.4N113 E116 L117 Y421 S422 A427 V428 S429N113-K425 HydrophobicContact CB-CB 4.15Å; N113-K425 HydrophobicContact CB-CD 4.19Å; E116-K425 IonicContact OE2-NZ 2.61Å; E116-K425 PolarHBondContact OE2-NZ 2.84Å; L117-K425 HydrophobicContact CD1-CB 4.01Å; L117-K425 HydrophobicContact CD1-CG 4.18Å; L117-K425 HydrophobicContact CD2-CB 4.3Å; L117-K425 HydrophobicContact CD2-CG 3.6Å; L117-K425 HydrophobicContact CG-CB 4.31Å; L117-K425 HydrophobicContact CG-CG 3.93Å; Y421-K425 PolarHBondContact O-N 3.41Å; S422-K425 PolarHBondContact O-N 3.32Å; K425-A427 VanDerWaalsContact C-N 3.34Å; K425-V428 PolarHBondContact O-N 3.43Å; K425-S429 PolarHBondContact O-N 3.24Å; K425-S429 PolarHBondContact O-OG 3.45Å
426F90.8Very high87.3Confident0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-60.2-45.1170.8-174.9-88000111.2L110 Y131 A134 A138 S422 I423 N424 S429 M430 T471L110-F426 HydrophobicContact CD1-CE2 4.13Å; L110-F426 HydrophobicContact CD2-CD2 3.29Å; L110-F426 HydrophobicContact CD2-CE2 3.6Å; L110-F426 HydrophobicContact CD2-CG 4.06Å; Y131-F426 HydrophobicContact CD1-CB 3.94Å; Y131-F426 AromaticContact CD1-CD2 3.85Å; Y131-F426 HydrophobicContact CD1-CD2 3.85Å; Y131-F426 HydrophobicContact CD1-CG 4.38Å; Y131-F426 HydrophobicContact CE1-CB 3.98Å; Y131-F426 HydrophobicContact CE1-CD2 4.34Å; Y131-F426 HydrophobicContact CG-CD2 4.1Å; A134-F426 HydrophobicContact CB-CB 3.83Å; A134-F426 HydrophobicContact CB-CD1 3.44Å; A134-F426 VanDerWaalsContact CB-CD1 3.44Å; A134-F426 HydrophobicContact CB-CD2 4.03Å; A134-F426 HydrophobicContact CB-CE1 3.93Å; A134-F426 HydrophobicContact CB-CE2 4.49Å; A134-F426 HydrophobicContact CB-CG 3.49Å; A134-F426 VanDerWaalsContact CB-CG 3.49Å; A134-F426 HydrophobicContact CB-CZ 4.45Å; A138-F426 HydrophobicContact CB-CE1 4.27Å; S422-F426 WeakPolarHBondContact O-CB 3.48Å; S422-F426 PolarHBondContact O-N 2.68Å; I423-F426 WeakPolarHBondContact O-CB 3.37Å; I423-F426 PolarHBondContact O-N 3.35Å; N424-F426 VanDerWaalsContact C-N 3.3Å; N424-F426 PolarHBondContact O-N 3.11Å; F426-S429 VanDerWaalsContact O-CB 3.28Å; F426-S429 WeakPolarHBondContact O-CB 3.48Å; F426-S429 PolarHBondContact O-N 3.49Å; F426-M430 HydrophobicContact CD1-CE 4.31Å; F426-M430 HydrophobicContact CE1-CE 3.35Å; F426-M430 HydrophobicContact CE2-CE 4.44Å; F426-M430 HydrophobicContact CZ-CE 3.43Å; F426-M430 VanDerWaalsContact CZ-CE 3.43Å; F426-M430 PolarHBondContact O-N 3.37Å; F426-T471 HydrophobicContact CE2-CG2 3.47Å; F426-T471 VanDerWaalsContact CE2-CG2 3.47Å; F426-T471 HydrophobicContact CZ-CG2 3.61Å
427A87.7Confident87.9Confident1 Ų139.9 Ų39.91%0.00820%0.204CC..Hα-helixtrans-64.5-41.917700000113S409 W412 I423 N424 K425 S429 M430S409-A427 WeakPolarHBondContact OG-CB 3.46Å; W412-A427 HydrophobicContact CE3-CB 4.48Å; W412-A427 HydrophobicContact CZ3-CB 4.08Å; I423-A427 PolarHBondContact O-N 3.37Å; I423-A427 VanDerWaalsContact O-N 3.07Å; N424-A427 WeakPolarHBondContact O-CB 3.25Å; N424-A427 PolarHBondContact O-N 2.97Å; N424-A427 VanDerWaalsContact O-N 3.11Å; K425-A427 VanDerWaalsContact C-N 3.34Å; A427-S429 PolarHBondContact O-N 3.35Å; A427-M430 WeakPolarHBondContact O-CB 3.3Å; A427-M430 PolarHBondContact O-N 3.05Å; A427-M430 VanDerWaalsContact O-N 3.07Å
428V88.8Confident88.2Confident48 Ų4839 Ų3929%0.29119%0.193SC..Hα-helixtrans-59.1-35.3174.1175.70000111.2N424 K425 M430 E431N424-V428 WeakPolarHBondContact O-CG2 3.43Å; N424-V428 PolarHBondContact O-N 3.16Å; K425-V428 PolarHBondContact O-N 3.43Å; V428-M430 PolarHBondContact O-N 3.28Å; V428-E431 WeakPolarHBondContact O-CB 3.47Å; V428-E431 PolarHBondContact O-N 3.06Å
429S91.2Very high88.5Confident0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-63.5-29.8177.3-52.60000112.9N113 K425 F426 A427 E431 V432N113-S429 PolarHBondContact ND2-OG 3.45Å; K425-S429 PolarHBondContact O-N 3.24Å; K425-S429 PolarHBondContact O-OG 3.45Å; F426-S429 VanDerWaalsContact O-CB 3.28Å; F426-S429 WeakPolarHBondContact O-CB 3.48Å; F426-S429 PolarHBondContact O-N 3.49Å; A427-S429 PolarHBondContact O-N 3.35Å; S429-E431 VanDerWaalsContact C-N 3.26Å; S429-E431 PolarHBondContact O-N 3.3Å; S429-V432 WeakPolarHBondContact O-CB 3.42Å; S429-V432 WeakPolarHBondContact O-CG2 3.33Å; S429-V432 PolarHBondContact O-N 3.24Å
430M87.3Confident88.7Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-70.8-21.3179.1-67.4-73.8-179.800112.9L106 L402 V405 F426 A427 V428 V432 I467L106-M430 HydrophobicContact CD1-CE 4.27Å; L106-M430 HydrophobicContact CD1-SD 3.72Å; L106-M430 HydrophobicContact CD2-CE 4.18Å; L106-M430 HydrophobicContact CD2-SD 4.12Å; L402-M430 HydrophobicContact CD2-SD 4.03Å; V405-M430 HydrophobicContact CG1-CB 4.33Å; V405-M430 HydrophobicContact CG1-CG 3.94Å; F426-M430 HydrophobicContact CD1-CE 4.31Å; F426-M430 HydrophobicContact CE1-CE 3.35Å; F426-M430 HydrophobicContact CE2-CE 4.44Å; F426-M430 HydrophobicContact CZ-CE 3.43Å; F426-M430 VanDerWaalsContact CZ-CE 3.43Å; F426-M430 PolarHBondContact O-N 3.37Å; A427-M430 WeakPolarHBondContact O-CB 3.3Å; A427-M430 PolarHBondContact O-N 3.05Å; A427-M430 VanDerWaalsContact O-N 3.07Å; V428-M430 PolarHBondContact O-N 3.28Å; M430-V432 PolarHBondContact O-N 3.33Å; M430-I467 HydrophobicContact CE-CG1 4.15Å; M430-I467 HydrophobicContact CE-CG2 4.03Å
431E86.5Confident88.7Confident49 Ų4937.3 Ų37.323%0.22919%0.193CC..THydrogen-bonded Turntrans-71.4-14.5174.9-63.4-179.5176.700113.3V406 V428 S429 L433 P434 K435V406-E431 HydrophobicContact CG1-CG 4.36Å; V406-E431 VanDerWaalsContact CG1-OE1 3.31Å; V406-E431 WeakPolarHBondContact CG1-OE1 3.47Å; V406-E431 HydrophobicContact CG2-CG 3.48Å; V406-E431 VanDerWaalsContact CG2-CG 3.48Å; V428-E431 WeakPolarHBondContact O-CB 3.47Å; V428-E431 PolarHBondContact O-N 3.06Å; S429-E431 VanDerWaalsContact C-N 3.26Å; S429-E431 PolarHBondContact O-N 3.3Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.35Å; E431-P434 WeakPolarHBondContact O-CD 3.32Å; E431-P434 VanDerWaalsContact O-CG 3.26Å; E431-P434 WeakPolarHBondContact O-CG 3.44Å; E431-K435 HydrophobicContact CB-CD 4.27Å; E431-K435 WeakPolarHBondContact O-CB 3.48Å; E431-K435 VanDerWaalsContact O-CG 3.25Å; E431-K435 WeakPolarHBondContact O-CG 3.42Å; E431-K435 PolarHBondContact O-N 3.12Å; E431-K435 VanDerWaalsContact O-N 3.11Å; E431-K435 WeakPolarHBondContact OE2-CE 3.38Å; E431-K435 IonicContact OE2-NZ 2.78Å; E431-K435 PolarHBondContact OE2-NZ 3.41Å
432V89.3Confident88.4Confident27 Ų2733.3 Ų33.316%0.16419%0.19CC..Hα-helixtrans-66.2-34.1-174.1176.10000112.1I105 A109 S429 M430 K435 Q436I105-V432 HydrophobicContact CG2-CG1 3.6Å; A109-V432 HydrophobicContact CB-CB 3.97Å; A109-V432 HydrophobicContact CB-CG1 4.18Å; A109-V432 HydrophobicContact CB-CG2 3.6Å; S429-V432 WeakPolarHBondContact O-CB 3.42Å; S429-V432 WeakPolarHBondContact O-CG2 3.33Å; S429-V432 PolarHBondContact O-N 3.24Å; M430-V432 PolarHBondContact O-N 3.33Å; V432-K435 PolarHBondContact O-N 2.99Å; V432-Q436 VanDerWaalsContact O-CB 3.26Å; V432-Q436 WeakPolarHBondContact O-CB 3.46Å; V432-Q436 PolarHBondContact O-N 3.14Å
433L88.6Confident87.8Confident1 Ų139.4 Ų39.41%0.00523%0.229CC..Hα-helixtrans-65.5-52179-63174.3000113Y46 I105 L402 E431 K435 Q436 L437 M466Y46-L433 HydrophobicContact CE1-CB 4.23Å; Y46-L433 HydrophobicContact CE1-CD2 3.97Å; Y46-L433 HydrophobicContact CE2-CD2 4.41Å; I105-L433 HydrophobicContact CB-CD2 4.04Å; I105-L433 HydrophobicContact CG2-CD2 3.84Å; L402-L433 HydrophobicContact CD1-CB 3.81Å; L402-L433 HydrophobicContact CD1-CD1 3.63Å; L402-L433 HydrophobicContact CD1-CG 4.33Å; L402-L433 HydrophobicContact CD2-CD1 4.37Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.35Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 3.12Å; L433-Q436 PolarHBondContact O-N 2.95Å; L433-L437 WeakPolarHBondContact O-CG 3.3Å; L433-L437 PolarHBondContact O-N 2.95Å; L433-M466 HydrophobicContact CD1-CE 3.7Å; L433-M466 HydrophobicContact CD1-SD 4.03Å
434P86.7Confident86.9Confident27 Ų2746.4 Ų46.418%0.17526%0.262CS..Hα-helixtrans-65-35.6175.223.4-32.3000112.5L403 E431 Q436 L437 A438L403-P434 HydrophobicContact CD2-CG 4.45Å; E431-P434 WeakPolarHBondContact O-CD 3.32Å; E431-P434 VanDerWaalsContact O-CG 3.26Å; E431-P434 WeakPolarHBondContact O-CG 3.44Å; P434-Q436 VanDerWaalsContact C-N 3.35Å; P434-Q436 PolarHBondContact O-N 3.32Å; P434-L437 PolarHBondContact O-N 3.47Å; P434-A438 PolarHBondContact O-N 3.18Å
435K87.7Confident85.9Confident102 Ų10244 Ų4444%0.44325%0.254SS..Hα-helixtrans-59.4-45.5172.6-74.2174-175.8166.90111.4E431 V432 L433 L437 A438 D439E431-K435 HydrophobicContact CB-CD 4.27Å; E431-K435 WeakPolarHBondContact O-CB 3.48Å; E431-K435 VanDerWaalsContact O-CG 3.25Å; E431-K435 WeakPolarHBondContact O-CG 3.42Å; E431-K435 PolarHBondContact O-N 3.12Å; E431-K435 VanDerWaalsContact O-N 3.11Å; E431-K435 WeakPolarHBondContact OE2-CE 3.38Å; E431-K435 IonicContact OE2-NZ 2.78Å; E431-K435 PolarHBondContact OE2-NZ 3.41Å; V432-K435 PolarHBondContact O-N 2.99Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 3.12Å; K435-L437 VanDerWaalsContact C-N 3.34Å; K435-L437 PolarHBondContact O-N 3.38Å; K435-A438 WeakPolarHBondContact O-CB 3.31Å; K435-A438 PolarHBondContact O-N 2.98Å; K435-A438 VanDerWaalsContact O-N 3.15Å; K435-D439 VanDerWaalsContact O-CG 3.24Å; K435-D439 PolarHBondContact O-N 3.43Å
436Q89.7Confident85.1Confident17 Ų1747.7 Ų47.78%0.07928%0.28CS..Hα-helixtrans-64.7-36.8179.1-169.962.354.800112.7R43 Y46 I105 V432 L433 P434 N440R43-Q436 HydrophobicContact CB-CG 4.38Å; R43-Q436 HydrophobicContact CG-CG 4.46Å; R43-Q436 VanDerWaalsContact CG-OE1 3.25Å; R43-Q436 WeakPolarHBondContact O-CG 3.43Å; R43-Q436 PolarHBondContact O-NE2 3.37Å; R43-Q436 VanDerWaalsContact O-NE2 3.11Å; Y46-Q436 HydrophobicContact CD1-CB 4.01Å; Y46-Q436 HydrophobicContact CD1-CG 3.89Å; Y46-Q436 HydrophobicContact CG-CG 4.45Å; I105-Q436 HydrophobicContact CD1-CG 4.34Å; V432-Q436 VanDerWaalsContact O-CB 3.26Å; V432-Q436 WeakPolarHBondContact O-CB 3.46Å; V432-Q436 PolarHBondContact O-N 3.14Å; L433-Q436 PolarHBondContact O-N 2.95Å; P434-Q436 VanDerWaalsContact C-N 3.35Å; P434-Q436 PolarHBondContact O-N 3.32Å; Q436-N440 PolarHBondContact NE2-ND2 3.3Å; Q436-N440 PolarHBondContact NE2-OD1 3.04Å; Q436-N440 WeakPolarHBondContact O-CB 3.4Å; Q436-N440 VanDerWaalsContact O-CG 3.24Å; Q436-N440 PolarHBondContact O-N 2.87Å; Q436-N440 PolarHBondContact O-ND2 3.31Å
437L87.5Confident84.4Confident38 Ų3852.9 Ų52.920%0.19931%0.312CS..Hα-helixtrans-63.9-42173.2-70.2171.7000111.6Y46 G47 T399 L433 P434 K435 S441Y46-L437 HydrophobicContact CD1-CD2 3.81Å; Y46-L437 HydrophobicContact CD1-CG 4.02Å; Y46-L437 HydrophobicContact CE1-CD1 4.21Å; Y46-L437 HydrophobicContact CE1-CD2 3.71Å; Y46-L437 HydrophobicContact CE1-CG 3.63Å; G47-L437 VanDerWaalsContact CA-CD2 3.46Å; T399-L437 HydrophobicContact CG2-CD1 3.78Å; L433-L437 WeakPolarHBondContact O-CG 3.3Å; L433-L437 PolarHBondContact O-N 2.95Å; P434-L437 PolarHBondContact O-N 3.47Å; K435-L437 VanDerWaalsContact C-N 3.34Å; K435-L437 PolarHBondContact O-N 3.38Å; L437-S441 WeakPolarHBondContact O-CB 3.39Å; L437-S441 PolarHBondContact O-N 3.48Å; L437-S441 VanDerWaalsContact O-N 3.1Å; L437-S441 PolarHBondContact O-OG 3.14Å
438A88.4Confident83.9Confident28 Ų2859.4 Ų59.423%0.23135%0.351CS..Hα-helixtrans-63.2-47.5176.200000111.2P434 K435 N440 S441 G442 G445P434-A438 PolarHBondContact O-N 3.18Å; K435-A438 WeakPolarHBondContact O-CB 3.31Å; K435-A438 PolarHBondContact O-N 2.98Å; K435-A438 VanDerWaalsContact O-N 3.15Å; A438-N440 VanDerWaalsContact C-N 3.32Å; A438-N440 PolarHBondContact O-N 3.23Å; A438-S441 PolarHBondContact O-N 3.03Å; A438-S441 VanDerWaalsContact O-N 3.1Å; A438-G442 PolarHBondContact O-N 3.2Å; A438-G445 WeakPolarHBondContact CB-O 3.43Å
439D89.5Confident83.3Confident116 Ų11659.9 Ų59.962%0.6236%0.36SS*.Hα-helixtrans-59.4-42.5179.6-68.4-20.3000111.8K435 S441 G442K435-D439 VanDerWaalsContact O-CG 3.24Å; K435-D439 PolarHBondContact O-N 3.43Å; D439-S441 VanDerWaalsContact C-N 3.31Å; D439-S441 PolarHBondContact O-N 3.01Å; D439-G442 PolarHBondContact O-N 3.33Å
440N89.9Confident82.5Confident36 Ų3665.4 Ų65.419%0.19339%0.39CS..Hα-helixtrans-74.8-19.7179-68.1-13.8000113.3R43 Y46 T49 Q436 A438 G442R43-N440 PolarHBondContact O-ND2 3.47Å; Y46-N440 PolarHBondContact O-ND2 3.43Å; T49-N440 PolarHBondContact OG1-O 2.98Å; Q436-N440 PolarHBondContact NE2-ND2 3.3Å; Q436-N440 PolarHBondContact NE2-OD1 3.04Å; Q436-N440 WeakPolarHBondContact O-CB 3.4Å; Q436-N440 VanDerWaalsContact O-CG 3.24Å; Q436-N440 PolarHBondContact O-N 2.87Å; Q436-N440 PolarHBondContact O-ND2 3.31Å; A438-N440 VanDerWaalsContact C-N 3.32Å; A438-N440 PolarHBondContact O-N 3.23Å; N440-G442 VanDerWaalsContact C-N 3.34Å
441S86.2Confident81.8Confident49 Ų4967.4 Ų67.434%0.34340%0.4SS..Hα-helixtrans-85.5-8.3177.2-56.20000112.8L437 A438 D439L437-S441 WeakPolarHBondContact O-CB 3.39Å; L437-S441 PolarHBondContact O-N 3.48Å; L437-S441 VanDerWaalsContact O-N 3.1Å; L437-S441 PolarHBondContact O-OG 3.14Å; A438-S441 PolarHBondContact O-N 3.03Å; A438-S441 VanDerWaalsContact O-N 3.1Å; D439-S441 VanDerWaalsContact C-N 3.31Å; D439-S441 PolarHBondContact O-N 3.01Å
442G84.4Confident81Confident40 Ų4067.6 Ų67.641%0.41240%0.404SS..G310 helixtrans69.7-141.3-179.300000112.6A438 D439 N440 E444 G445A438-G442 PolarHBondContact O-N 3.2Å; D439-G442 PolarHBondContact O-N 3.33Å; N440-G442 VanDerWaalsContact C-N 3.34Å; G442-E444 VanDerWaalsContact C-N 3.26Å; G442-E444 PolarHBondContact O-N 2.87Å; G442-G445 PolarHBondContact O-N 3.38Å
443P76.8Confident80.4Confident127 Ų12771.3 Ų71.383%0.82543%0.429SS*.G310 helixtrans-63.3-28.5-169.926.3-34.3000113.8G445P443-G445 VanDerWaalsContact C-N 3.28Å; P443-G445 PolarHBondContact O-N 3.44Å
444E70.2Confident79.9Confident152 Ų15275.3 Ų75.371%0.7145%0.45SS*.G310 helixtrans-76.9-12.3178.4-63.3-172.4168.100113.4G442 T446 T447G442-E444 VanDerWaalsContact C-N 3.26Å; G442-E444 PolarHBondContact O-N 2.87Å; E444-T446 PolarHBondContact O-N 2.61Å; E444-T446 VanDerWaalsContact O-N 3.08Å; E444-T447 PolarHBondContact O-N 2.95Å; E444-T447 VanDerWaalsContact O-N 3.13Å; E444-T447 PolarHBondContact O-OG1 3.04Å
445G66.8Low79.4Confident18 Ų1874.3 Ų74.319%0.18644%0.444CS..G310 helixtrans-65.2-14.7-174.200000115.5A438 G442 P443 T447A438-G445 WeakPolarHBondContact CB-O 3.43Å; G442-G445 PolarHBondContact O-N 3.38Å; P443-G445 VanDerWaalsContact C-N 3.28Å; P443-G445 PolarHBondContact O-N 3.44Å; G445-T447 VanDerWaalsContact C-N 3.34Å
446T72.9Confident79.1Confident126 Ų12671.3 Ų71.377%0.77343%0.433SS*.G310 helixtrans-80.8-15.8177.456.30000113.5E444E444-T446 PolarHBondContact O-N 2.61Å; E444-T446 VanDerWaalsContact O-N 3.08Å
447T77.2Confident78.5Confident108 Ų10871.3 Ų71.366%0.66343%0.432SS*.  trans-78.9136.4-179.463.10000111.1E444 G445E444-T447 PolarHBondContact O-N 2.95Å; E444-T447 VanDerWaalsContact O-N 3.13Å; E444-T447 PolarHBondContact O-OG1 3.04Å; G445-T447 VanDerWaalsContact C-N 3.34Å
448V76.7Confident78.1Confident138 Ų13870.9 Ų70.984%0.83643%0.43SS*.  trans-100.6125.4177-176.30000108.5
449A75.4Confident77.7Confident58 Ų5869.7 Ų69.748%0.47942%0.42SS..  trans-108.8145.7174.600000111.1M451 L454A449-M451 PolarHBondContact O-N 3.29Å; A449-L454 HydrophobicContact CB-CD1 4.05Å
450D74.8Confident77.3Confident117 Ų11765.8 Ų65.863%0.62640%0.397SS*.  trans-71.9119.2169.6-84-28.9000109.8V452 P453D450-V452 VanDerWaalsContact C-N 3.34Å; D450-V452 PolarHBondContact O-N 3.18Å; D450-P453 HydrophobicContact CB-CG 3.96Å; D450-P453 WeakPolarHBondContact O-CD 3.31Å; D450-P453 VanDerWaalsContact O-CG 3.25Å; D450-P453 WeakPolarHBondContact O-CG 3.36Å
451M72.8Confident76.9Confident42 Ų4265.7 Ų65.721%0.20740%0.396CS..Hα-helixtrans-72.9-24.5-175.9-66.4-63.8-166.200113.9T399 A449 L454 G455 I456T399-M451 HydrophobicContact CG2-CE 4.47Å; T399-M451 VanDerWaalsContact OG1-CE 3.28Å; T399-M451 WeakPolarHBondContact OG1-CE 3.39Å; A449-M451 PolarHBondContact O-N 3.29Å; M451-L454 PolarHBondContact O-N 3.22Å; M451-G455 PolarHBondContact O-N 3.02Å; M451-I456 PolarHBondContact O-N 3.45Å; M451-I456 HydrophobicContact SD-CB 4.25Å; M451-I456 HydrophobicContact SD-CD1 4.27Å
452V70.2Confident77Confident52 Ų5263.7 Ų63.732%0.31538%0.382SS..Hα-helixtrans-63.3-52.1-177.7-179.10000112.7R397 D450 L454 G455R397-V452 HydrophobicContact CG-CG2 4.5Å; D450-V452 VanDerWaalsContact C-N 3.34Å; D450-V452 PolarHBondContact O-N 3.18Å; V452-L454 PolarHBondContact O-N 3.42Å; V452-G455 PolarHBondContact O-N 3.11Å
453P76.7Confident77Confident105 Ų10562.5 Ų62.568%0.68237%0.366SS*.Hα-helixtrans-64.8-22.4177.126.3-36.5000113.2D450D450-P453 HydrophobicContact CB-CG 3.96Å; D450-P453 WeakPolarHBondContact O-CD 3.31Å; D450-P453 VanDerWaalsContact O-CG 3.25Å; D450-P453 WeakPolarHBondContact O-CG 3.36Å
454L77.9Confident77.6Confident85 Ų8558.1 Ų58.145%0.44533%0.333SS..Hα-helixtrans-83.6-10.7179.2-64.7174.6000113.5R158 A449 M451 V452 I456R158-L454 PolarHBondContact NH1-O 3.36Å; A449-L454 HydrophobicContact CB-CD1 4.05Å; M451-L454 PolarHBondContact O-N 3.22Å; V452-L454 PolarHBondContact O-N 3.42Å; L454-I456 VanDerWaalsContact C-N 3.28Å; L454-I456 HydrophobicContact CB-CD1 3.95Å; L454-I456 HydrophobicContact CB-CG1 3.95Å; L454-I456 HydrophobicContact CD1-CD1 4.33Å; L454-I456 PolarHBondContact O-N 3.42Å
455G76.3Confident78.5Confident6 Ų651.7 Ų51.76%0.06230%0.302CS..THydrogen-bonded Turntrans61.835-178.700000112.8E155 M451 V452E155-G455 WeakPolarHBondContact CB-O 3.38Å; M451-G455 PolarHBondContact O-N 3.02Å; V452-G455 PolarHBondContact O-N 3.11Å
456I80.4Confident79.7Confident40 Ų4051 Ų5121%0.20529%0.294CS..  trans-102.2114.9-179.8-56.4175.5000108.4T398 M451 L454T398-I456 HydrophobicContact CG2-CG2 3.73Å; M451-I456 PolarHBondContact O-N 3.45Å; M451-I456 HydrophobicContact SD-CB 4.25Å; M451-I456 HydrophobicContact SD-CD1 4.27Å; L454-I456 VanDerWaalsContact C-N 3.28Å; L454-I456 HydrophobicContact CB-CD1 3.95Å; L454-I456 HydrophobicContact CB-CG1 3.95Å; L454-I456 HydrophobicContact CD1-CD1 4.33Å; L454-I456 PolarHBondContact O-N 3.42Å
457Y78.3Confident80.5Confident16 Ų1645 Ų456%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-134.5146.1-175.9-60.5-76.2000111.8A152 E155 S159 L395 F396A152-Y457 HydrophobicContact CB-CE2 4.49Å; E155-Y457 HydrophobicContact CB-CD2 4.18Å; E155-Y457 HydrophobicContact CB-CE2 4.49Å; E155-Y457 WeakPolarHBondContact OE2-CE2 3.41Å; S159-Y457 VanDerWaalsContact CB-O 3.31Å; S159-Y457 WeakPolarHBondContact CB-O 3.48Å; S159-Y457 PolarHBondContact OG-O 3.32Å; L395-Y457 HydrophobicContact CB-CD1 3.66Å; L395-Y457 HydrophobicContact CB-CE1 4.35Å; L395-Y457 HydrophobicContact CB-CG 4.04Å; L395-Y457 HydrophobicContact CD1-CD1 3.76Å; L395-Y457 HydrophobicContact CD1-CD2 3.81Å; L395-Y457 HydrophobicContact CD1-CE1 4.12Å; L395-Y457 HydrophobicContact CD1-CE2 4.18Å; L395-Y457 HydrophobicContact CD1-CG 3.58Å; L395-Y457 HydrophobicContact CG-CD1 4.29Å; L395-Y457 HydrophobicContact CG-CG 4.26Å; F396-Y457 WeakPolarHBondContact O-CA 3.45Å
458D79.3Confident81.3Confident29 Ų2941.4 Ų41.416%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-111.9143.5176-75.8-24000109F396 T398 K463F396-D458 HydrophobicContact CB-CB 4.25Å; F396-D458 PolarHBondContact N-O 3.5Å; F396-D458 PolarHBondContact O-N 3.37Å; T398-D458 WeakPolarHBondContact CA-OD2 3.49Å; T398-D458 WeakPolarHBondContact CB-OD2 3.29Å; T398-D458 HydrophobicContact CG2-CB 3.77Å; T398-D458 VanDerWaalsContact CG2-N 3.3Å; T398-D458 WeakPolarHBondContact CG2-OD1 3.18Å; T398-D458 VanDerWaalsContact CG2-OD2 3.24Å; T398-D458 WeakPolarHBondContact CG2-OD2 3.38Å; D458-K463 WeakPolarHBondContact OD2-CE 3.4Å; D458-K463 IonicContact OD2-NZ 3.36Å; D458-K463 PolarHBondContact OD2-NZ 3Å
459P78.7Confident82.1Confident4 Ų435.6 Ų35.63%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-66.6144175-7.320.2000110.7V156 N386 L461 T462V156-P459 HydrophobicContact CG1-CG 4.02Å; N386-P459 HydrophobicContact CB-CG 4.43Å; P459-L461 VanDerWaalsContact C-N 3.34Å; P459-L461 PolarHBondContact O-N 3.28Å; P459-T462 WeakPolarHBondContact CB-OG1 3.35Å; P459-T462 VanDerWaalsContact CG-OG1 3.29Å; P459-T462 WeakPolarHBondContact CG-OG1 3.26Å; P459-T462 PolarHBondContact O-N 2.83Å
460Y80.6Confident83Confident33 Ų3332.9 Ų32.913%0.12917%0.174CC..Hα-helixtrans-61.9-43.9178.4164.6-87.4000113.6L142 V393 L394 F396 T462 K463 Y464L142-Y460 HydrophobicContact CB-CE2 4.16Å; L142-Y460 HydrophobicContact CD2-CD2 4.06Å; L142-Y460 HydrophobicContact CD2-CE2 3.67Å; L142-Y460 HydrophobicContact CG-CD2 3.85Å; L142-Y460 HydrophobicContact CG-CE2 3.54Å; V393-Y460 HydrophobicContact CG1-CD1 3.65Å; V393-Y460 HydrophobicContact CG1-CE1 4.35Å; V393-Y460 HydrophobicContact CG1-CG 4.03Å; L394-Y460 HydrophobicContact CB-CG 4.48Å; L394-Y460 HydrophobicContact CD1-CD1 3.83Å; L394-Y460 HydrophobicContact CD1-CD2 3.21Å; L394-Y460 HydrophobicContact CD1-CE1 4.2Å; L394-Y460 HydrophobicContact CD1-CE2 3.65Å; L394-Y460 HydrophobicContact CD1-CG 3.35Å; L394-Y460 HydrophobicContact CG-CD2 4.26Å; L394-Y460 HydrophobicContact CG-CG 4.17Å; L394-Y460 WeakPolarHBondContact O-CB 3.3Å; L394-Y460 PolarHBondContact O-N 3.12Å; F396-Y460 VanDerWaalsContact CE2-CA 3.43Å; F396-Y460 AromaticContact CE2-CD2 3.36Å; F396-Y460 HydrophobicContact CE2-CD2 3.36Å; F396-Y460 HydrophobicContact CE2-CE2 4.39Å; F396-Y460 AromaticContact CE2-CG 3.87Å; F396-Y460 HydrophobicContact CE2-CG 3.87Å; F396-Y460 AromaticContact CZ-CD2 3.57Å; F396-Y460 HydrophobicContact CZ-CD2 3.57Å; F396-Y460 HydrophobicContact CZ-CE2 4.3Å; F396-Y460 HydrophobicContact CZ-CG 4.49Å; Y460-T462 VanDerWaalsContact C-N 3.26Å; Y460-T462 PolarHBondContact O-N 3.07Å; Y460-K463 PolarHBondContact O-N 2.88Å; Y460-Y464 HydrophobicContact CE1-CD2 4.26Å; Y460-Y464 HydrophobicContact CE1-CG 4.31Å; Y460-Y464 WeakPolarHBondContact O-CB 3.46Å; Y460-Y464 PolarHBondContact O-N 2.66Å; Y460-Y464 WeakPolarHBondContact OH-CD2 3.34Å
461L83.3Confident83.8Confident35 Ų3527.8 Ų27.818%0.18315%0.147CC..Hα-helixtrans-62.6-37.1-174.9-166.363.2000111.5V96 W389 P459 K463 Y464 W465V96-L461 HydrophobicContact CG2-CG 4.32Å; W389-L461 HydrophobicContact CD2-CD2 3.34Å; W389-L461 HydrophobicContact CE3-CD2 3.36Å; W389-L461 HydrophobicContact CG-CD2 3.96Å; W389-L461 HydrophobicContact CH2-CD2 3.7Å; W389-L461 HydrophobicContact CZ2-CD2 3.7Å; W389-L461 HydrophobicContact CZ3-CD2 3.53Å; P459-L461 VanDerWaalsContact C-N 3.34Å; P459-L461 PolarHBondContact O-N 3.28Å; L461-K463 PolarHBondContact O-N 3.19Å; L461-Y464 PolarHBondContact O-N 3.26Å; L461-W465 VanDerWaalsContact O-CD1 3.27Å; L461-W465 PolarHBondContact O-N 3.48Å
462T86.6Confident84.8Confident7 Ų728.3 Ų28.34%0.04315%0.151CC..Hα-helixtrans-57.3-49.3175.3-46.30000111.5Q92 V96 D98 P459 Y460 M466Q92-T462 PolarHBondContact NE2-O 3.36Å; V96-T462 HydrophobicContact CG1-CG2 4.14Å; V96-T462 VanDerWaalsContact CG1-OG1 3.29Å; V96-T462 WeakPolarHBondContact CG1-OG1 3.38Å; D98-T462 HydrophobicContact CB-CG2 4.19Å; P459-T462 WeakPolarHBondContact CB-OG1 3.35Å; P459-T462 VanDerWaalsContact CG-OG1 3.29Å; P459-T462 WeakPolarHBondContact CG-OG1 3.26Å; P459-T462 PolarHBondContact O-N 2.83Å; Y460-T462 VanDerWaalsContact C-N 3.26Å; Y460-T462 PolarHBondContact O-N 3.07Å; T462-M466 WeakPolarHBondContact O-CB 2.84Å; T462-M466 PolarHBondContact O-N 3.32Å
463K85.8Confident85.9Confident15 Ų1526.2 Ų26.27%0.06514%0.138CC..Hα-helixtrans-71-37.9179.1-62.2-62.7-176.6-174.20112.5L142 F396 D458 Y460 L461 M466 I467L142-K463 HydrophobicContact CD1-CB 4Å; L142-K463 HydrophobicContact CD2-CB 4.38Å; F396-K463 HydrophobicContact CD2-CB 4.48Å; F396-K463 HydrophobicContact CD2-CG 4.18Å; F396-K463 HydrophobicContact CE2-CB 4.48Å; D458-K463 WeakPolarHBondContact OD2-CE 3.4Å; D458-K463 IonicContact OD2-NZ 3.36Å; D458-K463 PolarHBondContact OD2-NZ 3Å; Y460-K463 PolarHBondContact O-N 2.88Å; L461-K463 PolarHBondContact O-N 3.19Å; K463-M466 HydrophobicContact CD-CE 3.72Å; K463-M466 HydrophobicContact CD-SD 4.43Å; K463-M466 PolarHBondContact O-N 2.92Å; K463-I467 WeakPolarHBondContact O-CG1 3.4Å; K463-I467 PolarHBondContact O-N 3.23Å
464Y88Confident86.7Confident34 Ų3421.2 Ų21.213%0.13311%0.105CC..Hα-helixtrans-58.1-53.8177.8176.2-88.5000110.9L139 L142 Y460 L461 K468L139-Y464 HydrophobicContact CB-CE2 4.33Å; L139-Y464 HydrophobicContact CD1-CE2 4.03Å; L139-Y464 HydrophobicContact CD2-CD2 3.64Å; L139-Y464 HydrophobicContact CD2-CE2 3.88Å; L139-Y464 HydrophobicContact CD2-CG 4.25Å; L139-Y464 HydrophobicContact CG-CD2 4.5Å; L139-Y464 HydrophobicContact CG-CE2 4.3Å; L142-Y464 VanDerWaalsContact CD2-CA 3.42Å; L142-Y464 HydrophobicContact CD2-CD2 4.2Å; L142-Y464 HydrophobicContact CD2-CG 4.43Å; Y460-Y464 HydrophobicContact CE1-CD2 4.26Å; Y460-Y464 HydrophobicContact CE1-CG 4.31Å; Y460-Y464 WeakPolarHBondContact O-CB 3.46Å; Y460-Y464 PolarHBondContact O-N 2.66Å; Y460-Y464 WeakPolarHBondContact OH-CD2 3.34Å; L461-Y464 PolarHBondContact O-N 3.26Å; Y464-K468 HydrophobicContact CE1-CD 3.72Å; Y464-K468 VanDerWaalsContact O-CB 3.31Å; Y464-K468 WeakPolarHBondContact O-CB 3.44Å; Y464-K468 PolarHBondContact O-N 3.06Å; Y464-K468 VanDerWaalsContact O-N 3.09Å; Y464-K468 PolarHBondContact OH-NZ 3Å; Y464-K468 VanDerWaalsContact OH-NZ 3.16Å
465W90.8Very high87.4Confident17 Ų1718 Ų186%0.0649%0.089CC..Hα-helixtrans-68.3-36.2178.4-74.7114.2000112.4Q92 V96 L461 I467 K468 L469 L505 C509Q92-W465 VanDerWaalsContact OE1-CB 3.28Å; V96-W465 HydrophobicContact CG2-CB 4.1Å; V96-W465 VanDerWaalsContact CG2-CD1 3.46Å; V96-W465 HydrophobicContact CG2-CG 4.05Å; L461-W465 VanDerWaalsContact O-CD1 3.27Å; L461-W465 PolarHBondContact O-N 3.48Å; W465-I467 PolarHBondContact O-N 3.08Å; W465-K468 HydrophobicContact CE3-CD 4.21Å; W465-K468 HydrophobicContact CZ3-CD 4.22Å; W465-K468 PolarHBondContact O-N 3.42Å; W465-L469 HydrophobicContact CE3-CG 4.45Å; W465-L469 VanDerWaalsContact O-CB 3.3Å; W465-L469 WeakPolarHBondContact O-CB 3.31Å; W465-L469 WeakPolarHBondContact O-CG 3.37Å; W465-L469 PolarHBondContact O-N 3.26Å; W465-L505 HydrophobicContact CH2-CD2 4.25Å; W465-L505 HydrophobicContact CZ3-CD2 4.19Å; W465-C509 WeakPolarHBondContact CZ2-SG 3.36Å
466M91.7Very high88.1Confident3 Ų319.8 Ų19.82%0.01510%0.099CC..Hα-helixtrans-56.6-49.8177-179.4-171.473.900111.8V103 L106 L433 T462 K463 A470V103-M466 HydrophobicContact CG2-CB 4.14Å; V103-M466 HydrophobicContact CG2-CG 3.91Å; L106-M466 HydrophobicContact CD2-CE 4.41Å; L433-M466 HydrophobicContact CD1-CE 3.7Å; L433-M466 HydrophobicContact CD1-SD 4.03Å; T462-M466 WeakPolarHBondContact O-CB 2.84Å; T462-M466 PolarHBondContact O-N 3.32Å; K463-M466 HydrophobicContact CD-CE 3.72Å; K463-M466 HydrophobicContact CD-SD 4.43Å; K463-M466 PolarHBondContact O-N 2.92Å; M466-A470 WeakPolarHBondContact O-CB 3.46Å; M466-A470 PolarHBondContact O-N 3.19Å; M466-A470 VanDerWaalsContact O-N 3.08Å
467I90.2Very high88.6Confident1 Ų118.5 Ų18.51%0.0059%0.093CC..Hα-helixtrans-64.7-48.4179-66.4168.1000109.9L106 L139 F401 M430 K463 W465 L469 A470 T471L106-I467 HydrophobicContact CD2-CG1 4.3Å; L139-I467 HydrophobicContact CD2-CB 4.08Å; L139-I467 HydrophobicContact CD2-CG2 4.02Å; L139-I467 HydrophobicContact CG-CG2 4.42Å; F401-I467 HydrophobicContact CE1-CD1 3.83Å; F401-I467 HydrophobicContact CZ-CD1 4.44Å; M430-I467 HydrophobicContact CE-CG1 4.15Å; M430-I467 HydrophobicContact CE-CG2 4.03Å; K463-I467 WeakPolarHBondContact O-CG1 3.4Å; K463-I467 PolarHBondContact O-N 3.23Å; W465-I467 PolarHBondContact O-N 3.08Å; I467-L469 PolarHBondContact O-N 3.43Å; I467-A470 PolarHBondContact O-N 2.98Å; I467-T471 HydrophobicContact CG2-CG2 4.17Å; I467-T471 WeakPolarHBondContact O-CG2 3.45Å; I467-T471 PolarHBondContact O-N 3.36Å; I467-T471 PolarHBondContact O-OG1 3.15Å
468K92.6Very high89.1Confident33 Ų3317.8 Ų17.814%0.1439%0.09CC..Hα-helixtrans-64.9-40.6-175.8-172.3176.6-176.2179.60113.5L139 Y464 W465 T471 N472L139-K468 HydrophobicContact CD1-CB 4.41Å; Y464-K468 HydrophobicContact CE1-CD 3.72Å; Y464-K468 VanDerWaalsContact O-CB 3.31Å; Y464-K468 WeakPolarHBondContact O-CB 3.44Å; Y464-K468 PolarHBondContact O-N 3.06Å; Y464-K468 VanDerWaalsContact O-N 3.09Å; Y464-K468 PolarHBondContact OH-NZ 3Å; Y464-K468 VanDerWaalsContact OH-NZ 3.16Å; W465-K468 HydrophobicContact CE3-CD 4.21Å; W465-K468 HydrophobicContact CZ3-CD 4.22Å; W465-K468 PolarHBondContact O-N 3.42Å; K468-T471 PolarHBondContact O-OG1 2.9Å; K468-N472 VanDerWaalsContact O-CB 3.31Å; K468-N472 WeakPolarHBondContact O-CB 3.45Å; K468-N472 PolarHBondContact O-N 3.05Å; K468-N472 VanDerWaalsContact O-N 3.11Å; K468-N472 PolarHBondContact O-ND2 3.46Å; K468-N472 VanDerWaalsContact O-ND2 3.12Å
469L93.5Very high89.5Confident16 Ų1619.7 Ų19.78%0.08411%0.105CC..Hα-helixtrans-70.9-40.7176.6-71.2177.7000110.8E91 Q92 V103 W465 I467 L473E91-L469 HydrophobicContact CB-CD1 4.42Å; E91-L469 HydrophobicContact CG-CD2 4.34Å; Q92-L469 HydrophobicContact CB-CD1 3.87Å; V103-L469 HydrophobicContact CG1-CB 4.25Å; W465-L469 HydrophobicContact CE3-CG 4.45Å; W465-L469 VanDerWaalsContact O-CB 3.3Å; W465-L469 WeakPolarHBondContact O-CB 3.31Å; W465-L469 WeakPolarHBondContact O-CG 3.37Å; W465-L469 PolarHBondContact O-N 3.26Å; I467-L469 PolarHBondContact O-N 3.43Å; L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.45Å; L469-L473 PolarHBondContact O-N 3.47Å
470A93.8Very high89.8Confident0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-64.2-42.9177.200000112.4L106 A107 L110 M466 I467 L473 A474L106-A470 HydrophobicContact CB-CB 4.06Å; L106-A470 HydrophobicContact CD2-CB 3.76Å; L106-A470 HydrophobicContact CG-CB 3.81Å; A107-A470 HydrophobicContact CB-CB 3.98Å; L110-A470 HydrophobicContact CD1-CB 4.32Å; M466-A470 WeakPolarHBondContact O-CB 3.46Å; M466-A470 PolarHBondContact O-N 3.19Å; M466-A470 VanDerWaalsContact O-N 3.08Å; I467-A470 PolarHBondContact O-N 2.98Å; A470-L473 PolarHBondContact O-N 2.92Å; A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3Å
471T93.2Very high89.8Confident11 Ų1124.2 Ų24.27%0.06713%0.133CC..Hα-helixtrans-64.4-48.6176.659.20000111.4L110 F426 I467 K468 L473 A474 V475L110-T471 HydrophobicContact CD1-CG2 4.49Å; F426-T471 HydrophobicContact CE2-CG2 3.47Å; F426-T471 VanDerWaalsContact CE2-CG2 3.47Å; F426-T471 HydrophobicContact CZ-CG2 3.61Å; I467-T471 HydrophobicContact CG2-CG2 4.17Å; I467-T471 WeakPolarHBondContact O-CG2 3.45Å; I467-T471 PolarHBondContact O-N 3.36Å; I467-T471 PolarHBondContact O-OG1 3.15Å; K468-T471 PolarHBondContact O-OG1 2.9Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 3.07Å; T471-A474 PolarHBondContact O-N 3.47Å; T471-V475 WeakPolarHBondContact O-CG2 3.12Å; T471-V475 PolarHBondContact O-N 3.46Å
472N93.9Very high89.5Confident53 Ų5327.4 Ų27.428%0.28315%0.147SC..Hα-helixtrans-61.1-38.8178.3-71.8-18.3000111.7K468 T476K468-N472 VanDerWaalsContact O-CB 3.31Å; K468-N472 WeakPolarHBondContact O-CB 3.45Å; K468-N472 PolarHBondContact O-N 3.05Å; K468-N472 VanDerWaalsContact O-N 3.11Å; K468-N472 PolarHBondContact O-ND2 3.46Å; K468-N472 VanDerWaalsContact O-ND2 3.12Å; N472-T476 WeakPolarHBondContact O-CB 3.38Å; N472-T476 VanDerWaalsContact O-CG2 3.23Å; N472-T476 WeakPolarHBondContact O-CG2 3.47Å; N472-T476 PolarHBondContact O-N 3.29Å; N472-T476 PolarHBondContact O-OG1 3.37Å
473L93.1Very high89Confident7 Ų728.1 Ų28.14%0.03715%0.152CC..Hα-helixtrans-66.3-44.2176.2-173.3142.4000112L84 L85 A88 A107 L111 L469 A470 T471 V475 T476 L477L84-L473 WeakPolarHBondContact O-CD1 3.48Å; L85-L473 HydrophobicContact CB-CD1 4.46Å; L85-L473 HydrophobicContact CD2-CD1 3.74Å; L85-L473 HydrophobicContact CD2-CD2 3.47Å; L85-L473 VanDerWaalsContact CD2-CD2 3.47Å; L85-L473 HydrophobicContact CD2-CG 4.3Å; L85-L473 HydrophobicContact CG-CD1 4.19Å; L85-L473 HydrophobicContact CG-CD2 4.14Å; A88-L473 HydrophobicContact CB-CD1 3.45Å; A88-L473 VanDerWaalsContact CB-CD1 3.45Å; A107-L473 HydrophobicContact CB-CD2 3.84Å; L111-L473 HydrophobicContact CD1-CD2 4.37Å; L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.45Å; L469-L473 PolarHBondContact O-N 3.47Å; A470-L473 PolarHBondContact O-N 2.92Å; T471-L473 VanDerWaalsContact C-N 3.29Å; T471-L473 PolarHBondContact O-N 3.07Å; L473-V475 VanDerWaalsContact C-N 3.34Å; L473-V475 PolarHBondContact O-N 3.41Å; L473-T476 WeakPolarHBondContact CA-OG1 3.43Å; L473-T476 PolarHBondContact O-N 3.36Å; L473-T476 PolarHBondContact O-OG1 2.94Å; L473-L477 HydrophobicContact CD2-CD1 3.51Å; L473-L477 HydrophobicContact CD2-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 4.32Å; L473-L477 WeakPolarHBondContact O-CG 3.5Å; L473-L477 PolarHBondContact O-N 2.63Å
474A92.4Very high88.5Confident0 Ų030.4 Ų30.40%017%0.173CC..Hα-helixtrans-60.4-45.6176.500000111.2L110 L111 Y131 A470 T471 L477 L478L110-A474 HydrophobicContact CB-CB 3.89Å; L110-A474 HydrophobicContact CD1-CB 4.18Å; L111-A474 HydrophobicContact CD2-CB 4.36Å; Y131-A474 HydrophobicContact CD2-CB 4.46Å; A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3Å; T471-A474 PolarHBondContact O-N 3.47Å; A474-L477 PolarHBondContact O-N 3.16Å; A474-L478 WeakPolarHBondContact O-CB 3.31Å; A474-L478 WeakPolarHBondContact O-CG 3.37Å; A474-L478 PolarHBondContact O-N 2.89Å
475V92.4Very high87.7Confident19 Ų1933.1 Ų33.112%0.11518%0.183CC..Hα-helixtrans-62.3-45.3177.7168.60000112I128 E132 T471 L473 L477 L478 S479I128-V475 HydrophobicContact CG1-CG1 4.45Å; I128-V475 HydrophobicContact CG2-CB 4.45Å; I128-V475 HydrophobicContact CG2-CG1 3.63Å; I128-V475 HydrophobicContact CG2-CG2 4.18Å; E132-V475 HydrophobicContact CG-CG2 4.1Å; T471-V475 WeakPolarHBondContact O-CG2 3.12Å; T471-V475 PolarHBondContact O-N 3.46Å; L473-V475 VanDerWaalsContact C-N 3.34Å; L473-V475 PolarHBondContact O-N 3.41Å; V475-L477 VanDerWaalsContact C-N 3.33Å; V475-L477 PolarHBondContact O-N 3.1Å; V475-L478 PolarHBondContact O-N 3.31Å; V475-S479 WeakPolarHBondContact O-CB 3.41Å; V475-S479 PolarHBondContact O-N 2.76Å; V475-S479 PolarHBondContact O-OG 3.06Å
476T91.7Very high86.8Confident43 Ų4336.3 Ų36.326%0.26420%0.201SC..Hα-helixtrans-65.7-33.3178.550.50000113N472 L473 S479 V480 W501N472-T476 WeakPolarHBondContact O-CB 3.38Å; N472-T476 VanDerWaalsContact O-CG2 3.23Å; N472-T476 WeakPolarHBondContact O-CG2 3.47Å; N472-T476 PolarHBondContact O-N 3.29Å; N472-T476 PolarHBondContact O-OG1 3.37Å; L473-T476 WeakPolarHBondContact CA-OG1 3.43Å; L473-T476 PolarHBondContact O-N 3.36Å; L473-T476 PolarHBondContact O-OG1 2.94Å; T476-S479 WeakPolarHBondContact CA-OG 3.4Å; T476-S479 PolarHBondContact O-OG 3.07Å; T476-V480 WeakPolarHBondContact O-CG2 3.36Å; T476-W501 HydrophobicContact CG2-CH2 4.06Å; T476-W501 HydrophobicContact CG2-CZ3 3.98Å
477L90.1Very high85.2Confident13 Ų1340.5 Ų40.57%0.06822%0.223CC..Hα-helixtrans-75.8-37.2174.3-74.3178.5000112.9A81 L84 L111 L473 A474 V475 S479 V480A81-L477 HydrophobicContact CB-CD1 4.47Å; A81-L477 HydrophobicContact CB-CD2 3.56Å; L84-L477 HydrophobicContact CB-CD2 4.42Å; L84-L477 HydrophobicContact CD1-CD2 3.51Å; L84-L477 HydrophobicContact CD1-CG 4.42Å; L111-L477 HydrophobicContact CD1-CD1 3.48Å; L111-L477 VanDerWaalsContact CD1-CD1 3.48Å; L111-L477 HydrophobicContact CD2-CB 3.91Å; L111-L477 HydrophobicContact CD2-CD1 4.08Å; L111-L477 HydrophobicContact CG-CD1 4.39Å; L473-L477 HydrophobicContact CD2-CD1 3.51Å; L473-L477 HydrophobicContact CD2-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 4.32Å; L473-L477 WeakPolarHBondContact O-CG 3.5Å; L473-L477 PolarHBondContact O-N 2.63Å; A474-L477 PolarHBondContact O-N 3.16Å; V475-L477 VanDerWaalsContact C-N 3.33Å; V475-L477 PolarHBondContact O-N 3.1Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.27Å; L477-V480 PolarHBondContact O-N 3.31Å
478L89.3Confident83.3Confident1 Ų145.4 Ų45.41%0.00525%0.249CC..Hα-helixtrans-71.8-23.1179-70.6172.4000113.3V28 L111 A114 I118 V127 I128 Y131 A474 V475 V480V28-L478 HydrophobicContact CG1-CD2 4.08Å; L111-L478 HydrophobicContact CD2-CG 4.37Å; A114-L478 HydrophobicContact CB-CD1 3.75Å; A114-L478 HydrophobicContact CB-CD2 3.79Å; A114-L478 HydrophobicContact CB-CG 4.36Å; I118-L478 HydrophobicContact CD1-CD2 3.98Å; V127-L478 HydrophobicContact CG1-CD1 3.9Å; I128-L478 HydrophobicContact CD1-CB 4.12Å; I128-L478 HydrophobicContact CG1-CB 3.95Å; Y131-L478 HydrophobicContact CD2-CD1 4.13Å; Y131-L478 HydrophobicContact CE2-CD1 4.02Å; A474-L478 WeakPolarHBondContact O-CB 3.31Å; A474-L478 WeakPolarHBondContact O-CG 3.37Å; A474-L478 PolarHBondContact O-N 2.89Å; V475-L478 PolarHBondContact O-N 3.31Å; L478-V480 VanDerWaalsContact C-N 3.25Å; L478-V480 PolarHBondContact O-N 3.49Å
479S88Confident80.7Confident69 Ų6949.4 Ų49.448%0.48328%0.28SS..THydrogen-bonded Turntrans-79.3-4.2175.652.20000113.9V475 T476 L477 D481V475-S479 WeakPolarHBondContact O-CB 3.41Å; V475-S479 PolarHBondContact O-N 2.76Å; V475-S479 PolarHBondContact O-OG 3.06Å; T476-S479 WeakPolarHBondContact CA-OG 3.4Å; T476-S479 PolarHBondContact O-OG 3.07Å; L477-S479 VanDerWaalsContact C-N 3.29Å; L477-S479 PolarHBondContact O-N 3.27Å; S479-D481 PolarHBondContact O-N 3.14Å
480V85.8Confident77.9Confident51 Ų5154.3 Ų54.331%0.30932%0.315SS..  trans-93.1100.9180179.20000110.8T476 L477 L478 Q482 V483T476-V480 WeakPolarHBondContact O-CG2 3.36Å; L477-V480 PolarHBondContact O-N 3.31Å; L478-V480 VanDerWaalsContact C-N 3.25Å; L478-V480 PolarHBondContact O-N 3.49Å; V480-Q482 WeakPolarHBondContact CG1-O 3.37Å; V480-V483 HydrophobicContact CG1-CG2 3.74Å
481D79.2Confident75Confident81 Ų8159.8 Ų59.843%0.43335%0.352SS..  trans-83.8-21.7177.3-70.2-16000114T27 S479T27-D481 PolarHBondContact OG1-O 3.14Å; S479-D481 PolarHBondContact O-N 3.14Å
482Q77.2Confident72.1Confident101 Ų10164.1 Ų64.147%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-140.3132-174.6-65.5-1767.100111.2H20 R22 V480H20-Q482 PolarHBondContact CE1-OE1 3.33Å; R22-Q482 HydrophobicContact CG-CG 4.31Å; V480-Q482 WeakPolarHBondContact CG1-O 3.37Å
483V77Confident69.3Low23 Ų2367.7 Ų67.714%0.13939%0.392CS..EExtended strand (participates in β ladder)trans-118.3119.6173.9176.60000109F21 T27 P80 V480F21-V483 HydrophobicContact CD2-CB 4.4Å; F21-V483 HydrophobicContact CD2-CG1 4.48Å; F21-V483 PolarHBondContact N-O 3.47Å; F21-V483 PolarHBondContact O-N 2.99Å; T27-V483 HydrophobicContact CG2-CB 4.27Å; T27-V483 HydrophobicContact CG2-CG2 3.57Å; P80-V483 HydrophobicContact CG-CG1 3.8Å; V480-V483 HydrophobicContact CG1-CG2 3.74Å
484A74.2Confident66.6Low63 Ų6373.8 Ų73.852%0.52143%0.425SS..EExtended strand (participates in β ladder)trans-105115171.500000109.4
485R71Confident63.7Low90 Ų9082.9 Ų82.934%0.3447%0.465SS..EExtended strand (participates in β ladder)trans-101117.6173.5-172.3174.2-180178.2-2.9108.4A18 R19 E78A18-R485 CarbonylContact C-O 3.53Å; A18-R485 VanDerWaalsContact CA-O 3.25Å; A18-R485 WeakPolarHBondContact CA-O 3.46Å; R19-R485 PolarHBondContact N-O 3.21Å; R19-R485 PolarHBondContact O-N 3.34Å; E78-R485 IonicContact OE2-CZ 3.36Å; E78-R485 IonicContact OE2-NH1 3.39Å; E78-R485 PolarHBondContact OE2-NH1 3.46Å; E78-R485 IonicContact OE2-NH2 2.72Å; E78-R485 PolarHBondContact OE2-NH2 3.36Å
486I71.6Confident60.8Low84 Ų8485.7 Ų85.743%0.43149%0.49SS..  trans-94.6120.9171.3-52.3174.9000106.7L488I486-L488 HydrophobicContact CB-CD1 4.25Å; I486-L488 HydrophobicContact CG2-CD1 3.85Å; I486-L488 HydrophobicContact CG2-CG 3.78Å; I486-L488 PolarHBondContact O-N 2.88Å
487N58.3Low58Low91 Ų9190.1 Ų90.149%0.48751%0.506SS..  trans-70.182168.6-76.8-5.1000108.4G17G17-N487 VanDerWaalsContact O-CG 3.29Å; G17-N487 PolarHBondContact O-ND2 3.43Å
488L49.9Very low55.1Low105 Ų10599.9 Ų99.955%0.5554%0.541SS..  trans-94.2138165.3-80.8155.1000107.9I486 S490I486-L488 HydrophobicContact CB-CD1 4.25Å; I486-L488 HydrophobicContact CG2-CD1 3.85Å; I486-L488 HydrophobicContact CG2-CG 3.78Å; I486-L488 PolarHBondContact O-N 2.88Å; L488-S490 PolarHBondContact O-N 3.22Å
489C38.7Very low52.2Low116 Ų116107.2 Ų107.278%0.78458%0.58SS**  trans-40.8136165.2-128.90000109.4C491C489-C491 PolarHBondContact O-N 3.41Å
490S35.8Very low49.5Very low119 Ų119110.8 Ų110.883%0.83259%0.593SS**THydrogen-bonded Turntrans-49.517.9-161.932.90000120L488L488-S490 PolarHBondContact O-N 3.22Å
491C32.2Very low46.8Very low115 Ų115114.7 Ų114.778%0.77760%0.602SS**THydrogen-bonded Turntrans-119.5-8.6-163.1-67.60000118.1C489C489-C491 PolarHBondContact O-N 3.41Å
492T31.6Very low44.6Very low103 Ų103114.6 Ų114.663%0.63261%0.606SS**  trans-130.223.7-164.142.80000118.5
493F35.7Very low42.5Very low128 Ų128115 Ų11556%0.56162%0.62SS**  trans-89.93.1-177.8-128.2-89.9000116.4
494N36.1Very low40.3Very low134 Ų134123.8 Ų123.872%0.71765%0.65SS**SBendtrans-94.3-1.4-170.4-86.4-6.4000116.2K83K83-N494 PolarHBondContact NZ-OD1 3.25Å
495F32Very low38.4Very low192 Ų192123.2 Ų123.284%0.84264%0.638SS**SBendtrans-105.1-18.8-169.2-134.3-96.9000116.4
496A31.5Very low36.5Very low77 Ų77126.7 Ų126.764%0.63666%0.656SS**SBendtrans-101.9-18.4-167.300000116.4
497F32Very low34.6Very low137 Ų137128.4 Ų128.460%0.60167%0.666SS**G310 helixtrans-89.5-10.1-176.6-107.5-90.3000114.7L499F497-L499 PolarHBondContact O-N 3.25Å
498R30.1Very low33.2Very low217 Ų217133 Ų13382%0.81968%0.677SS**G310 helixtrans-75.7-5.6-176.8-142.6173.8-171.2-179.22.1114.1
499L28.7Very low32.5Very low156 Ų156129.5 Ų129.582%0.81766%0.66SS**G310 helixtrans-104.3-6.7-174.7-82.5157.8000114.5F497F497-L499 PolarHBondContact O-N 3.25Å
500L30.7Very low32.2Very low143 Ų143128.9 Ų128.975%0.74965%0.649SS**SBendtrans-1041.5-175.7-99.1147000114.4
501W30.4Very low32.2Very low134 Ų134130 Ų13051%0.50864%0.639SS.*SBendtrans-94.2119.3170.7-150-92.1000109.7T476 S503T476-W501 HydrophobicContact CG2-CH2 4.06Å; T476-W501 HydrophobicContact CG2-CZ3 3.98Å; W501-S503 PolarHBondContact O-N 3.18Å
502P31.4Very low32.4Very low78 Ų78129.3 Ų129.351%0.50663%0.626SS.*  trans-65.1123.9-179.818.3-20.4000109.6R504P502-R504 HydrophobicContact CB-CB 4.31Å; P502-R504 HydrophobicContact CB-CG 4.23Å; P502-R504 PolarHBondContact O-N 3.11Å
503S34.1Very low32.5Very low110 Ų110129.2 Ų129.277%0.76962%0.619SS**THydrogen-bonded Turntrans-56.515.3165.141.80000114.6W501 L505W501-S503 PolarHBondContact O-N 3.18Å; S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 3.05Å
504R31.2Very low32.3Very low207 Ų207130.5 Ų130.578%0.78163%0.627SS**Hα-helixtrans-78.9-6.8179.1-72.7-175177.2178.9-0.2114.3P502P502-R504 HydrophobicContact CB-CB 4.31Å; P502-R504 HydrophobicContact CB-CG 4.23Å; P502-R504 PolarHBondContact O-N 3.11Å
505L33.7Very low32.1Very low51 Ų51136.7 Ų136.727%0.26764%0.64SS.*Hα-helixtrans-81.7-33.4-180-86.7153.5000113.4W465 S503 D507 C509W465-L505 HydrophobicContact CH2-CD2 4.25Å; W465-L505 HydrophobicContact CZ3-CD2 4.19Å; S503-L505 VanDerWaalsContact C-N 3.32Å; S503-L505 PolarHBondContact O-N 3.05Å; L505-D507 PolarHBondContact O-N 3.03Å; L505-C509 PolarHBondContact O-N 3.36Å; L505-C509 PolarHBondContact O-SG 3.48Å
506K31.9Very low32.1Very low164 Ų164133.9 Ų133.971%0.71363%0.63SS**Hα-helixtrans-64.9-37.7179.7-101-178.5174.5-179.90113.8C509K506-C509 PolarHBondContact O-N 2.98Å
507D30.1Very low32.1Very low119 Ų119136.9 Ų136.964%0.63663%0.63SS**Hα-helixtrans-80.2-20.3-176.4-68.7-17.7000114.1L505L505-D507 PolarHBondContact O-N 3.03Å
508R30.5Very low32.1Very low189 Ų189136.9 Ų136.971%0.71363%0.631SS**Hα-helixtrans-82.5-26.2172.4-88.8-171.1-178.5-167.41.7112.6K511 L512R508-K511 PolarHBondContact O-N 3.49Å; R508-L512 PolarHBondContact O-N 2.94Å; R508-L512 VanDerWaalsContact O-N 3.14Å
509C34.5Very low32.3Very low31 Ų31132.2 Ų132.221%0.20962%0.62CS.*Hα-helixtrans-70.1-37.5178.8-71.60000112.6W465 L505 K506 K511 L512 Q513W465-C509 WeakPolarHBondContact CZ2-SG 3.36Å; L505-C509 PolarHBondContact O-N 3.36Å; L505-C509 PolarHBondContact O-SG 3.48Å; K506-C509 PolarHBondContact O-N 2.98Å; C509-K511 VanDerWaalsContact C-N 3.33Å; C509-K511 PolarHBondContact O-N 3.35Å; C509-L512 PolarHBondContact O-N 3.16Å; C509-Q513 PolarHBondContact O-N 3.35Å
510L32.7Very low32.5Very low103 Ų103130.7 Ų130.754%0.53961%0.608SS.*Hα-helixtrans-61.1-40.4171.3-93.5148.3000112.2L512 Q513 E514L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 2.86Å; L510-Q513 PolarHBondContact O-N 3.2Å; L510-E514 WeakPolarHBondContact O-CG 3.39Å; L510-E514 PolarHBondContact O-N 3.44Å; L510-E514 VanDerWaalsContact O-N 3.1Å
511K35.3Very low32.6Very low143 Ų143129.9 Ų129.962%0.62260%0.598SS**Hα-helixtrans-74-20.4178.8-74.8-175.8176.2179.90114.9R508 C509R508-K511 PolarHBondContact O-N 3.49Å; C509-K511 VanDerWaalsContact C-N 3.33Å; C509-K511 PolarHBondContact O-N 3.35Å
512L35.6Very low32.8Very low99 Ų99129.6 Ų129.652%0.51861%0.605SS.*Hα-helixtrans-89.9-17.2172-79.9164.8000112.4R508 C509 L510 R515R508-L512 PolarHBondContact O-N 2.94Å; R508-L512 VanDerWaalsContact O-N 3.14Å; C509-L512 PolarHBondContact O-N 3.16Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 2.86Å; L512-R515 VanDerWaalsContact O-OXT 3.1Å
513Q34.1Very low32.9Very low102 Ų102133.5 Ų133.548%0.47761%0.612SS.*Hα-helixtrans-80.7-23.1166.7-77.8179.6-48.300112.5C509 L510C509-Q513 PolarHBondContact O-N 3.35Å; L510-Q513 PolarHBondContact O-N 3.2Å
514E33Very low32.8Very low154 Ų154135.5 Ų135.572%0.7260%0.599SS**  trans-83.1-14.6174.5-75.4177.2165.500114.3L510L510-E514 WeakPolarHBondContact O-CG 3.39Å; L510-E514 PolarHBondContact O-N 3.44Å; L510-E514 VanDerWaalsContact O-N 3.1Å
515R30.7Very low32.9Very low264 Ų264129 Ų129100%0.99658%0.583SS**  trans-104.40174.5-78.5-174.8174.2-171-2.2110.2L512L512-R515 VanDerWaalsContact O-OXT 3.1Å

Retrieved 515 of 515 residues in 578.2 ms (Link to these results)

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