A0A077Z6H3_TRITR Loading...

ATP synthase-coupling factor 6, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z6H3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 aa.

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

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
1M43.1Very low59.8Low230 Ų230161.5 Ų161.5100%1.13385%0.854SS**  077.50-166.8-178.2-166.900109.2
2F53.8Low60Low222 Ų222155.3 Ų155.397%0.97483%0.834SS**  trans-157108.9165.6-78.9-71.1000107.9
3G58.5Low59.9Low75 Ų75159.8 Ų159.877%0.77384%0.841SS**  trans-109.9123.8-178.800000111
4V63.3Low59.8Low137 Ų137159 Ų15983%0.8384%0.837SS**  trans-80.6113.9177.11780000109.1
5K67.7Low59.3Low192 Ų192154.9 Ų154.984%0.83584%0.835SS**  trans-87.7114.6171.3-62.8-176.2-179.8-1760108.8
6R60.4Low59Low230 Ų230155.4 Ų155.487%0.86884%0.836SS**PPolyproline II helixtrans-79.7117.9170.8-71.2179.3176.5122.1-2.2108.8
7N63.5Low58.8Low155 Ų155152.9 Ų152.983%0.82983%0.833SS**PPolyproline II helixtrans-79.8125.3170.9-75.2-40.9000109.4
8V63.5Low58.6Low138 Ų138150.1 Ų150.184%0.83682%0.822SS**PPolyproline II helixtrans-90.3119171.1175.40000107.9A10V8-A10 PolarHBondContact O-N 3.44Å
9I59.5Low58.2Low152 Ų152147.2 Ų147.278%0.77981%0.813SS**  trans-81.4108173.3-64.2169.5000107.4I11I9-I11 PolarHBondContact O-N 3.49Å
10A58.6Low57.8Low89 Ų89145.2 Ų145.274%0.73681%0.81SS**  trans-78.2112.8167.900000108.8V8 S12V8-A10 PolarHBondContact O-N 3.44Å; A10-S12 PolarHBondContact O-N 3.44Å
11I66Low57.5Low157 Ų157143.9 Ų143.981%0.80581%0.81SS**  trans-76.7103.7171.4-62174.1000107.5I9I9-I11 PolarHBondContact O-N 3.49Å
12S62.2Low58Low87 Ų87136.2 Ų136.261%0.60878%0.778SS**  trans-68.4127.5171.335.10000110A10 L14A10-S12 PolarHBondContact O-N 3.44Å; S12-L14 VanDerWaalsContact C-N 3.3Å; S12-L14 PolarHBondContact O-N 3.27Å
13K58.7Low58Low213 Ų213134.9 Ų134.993%0.92677%0.767SS**  trans-69.482.8173.8-62.5176.3-176.7178.10109.4
14L58.2Low57.7Low149 Ų149138.8 Ų138.878%0.7877%0.765SS**  trans-124.5131.3173.8-84.8151.1000109.5S12S12-L14 VanDerWaalsContact C-N 3.3Å; S12-L14 PolarHBondContact O-N 3.27Å
15A53Low57.3Low98 Ų98135 Ų13581%0.8175%0.748SS**  trans79.359.7175.400000118.3S17A15-S17 PolarHBondContact O-N 3.15Å; A15-S17 VanDerWaalsContact O-N 3.15Å
16L54.3Low56.7Low163 Ų163133.9 Ų133.985%0.85374%0.739SS**  trans-75.884.9141.9-87.7133.3000107.9T18L16-T18 PolarHBondContact O-N 3.3Å
17S55.4Low56.5Low113 Ų113132 Ų13279%0.7974%0.737SS**  trans-61.491.7155.9-177.60000106.5A15 S19A15-S17 PolarHBondContact O-N 3.15Å; A15-S17 VanDerWaalsContact O-N 3.15Å; S17-S19 VanDerWaalsContact C-N 3.28Å; S17-S19 PolarHBondContact O-N 2.96Å
18T54.9Low56.3Low102 Ų102130.3 Ų130.363%0.62673%0.732SS**  trans-72.293172.241.80000106.3L16 S20L16-T18 PolarHBondContact O-N 3.3Å; T18-S20 VanDerWaalsContact C-N 3.31Å; T18-S20 PolarHBondContact O-N 2.87Å
19S51.5Low56.5Low94 Ų94125 Ų12566%0.65770%0.703SS**  trans-49.5105.7155.444.80000106.9S17 C21S17-S19 VanDerWaalsContact C-N 3.28Å; S17-S19 PolarHBondContact O-N 2.96Å; S19-C21 PolarHBondContact O-N 2.95Å
20S50.6Low57.8Low107 Ų107121.2 Ų121.275%0.74868%0.684SS**SBendtrans-68.19.9-179.3450000112.9T18 S22T18-S20 VanDerWaalsContact C-N 3.31Å; T18-S20 PolarHBondContact O-N 2.87Å; S20-S22 PolarHBondContact O-N 2.99Å
21C51.5Low59.3Low119 Ų119121.3 Ų121.380%0.80468%0.678SS**THydrogen-bonded Turntrans-93.748.3-178.1-1600000113.1S19S19-C21 PolarHBondContact O-N 2.95Å
22S53.6Low60.5Low68 Ų68119.2 Ų119.248%0.47667%0.667SS.*THydrogen-bonded Turntrans-148.6217067.50000115.7S20 R26S20-S22 PolarHBondContact O-N 2.99Å; S22-R26 PolarHBondContact O-NE 2.95Å
23R53.6Low61.9Low195 Ų195120.6 Ų120.674%0.73666%0.663SS**SBendtrans-97.7-27.8173.2-64.1-173.6-149.9-134.63.8113.2
24Q52.6Low63.4Low156 Ų156114.2 Ų114.273%0.72964%0.637SS**SBendtrans-77.4-31.8173-105.281.119.900113.8R26 K27Q24-R26 PolarHBondContact O-N 3.02Å; Q24-R26 VanDerWaalsContact O-N 3.15Å; Q24-K27 PolarHBondContact O-N 3.4Å
25A53.2Low65Low58 Ų58113.1 Ų113.148%0.47963%0.628SS.*G310 helixtrans-67.9-13.4-177.900000114.5K27 T28 A29A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 2.89Å; A25-T28 PolarHBondContact O-N 3.07Å; A25-A29 PolarHBondContact O-N 2.84Å
26R55.9Low67Low169 Ų169115 Ų11564%0.63862%0.618SS**G310 helixtrans-73.8-18177.4-59.5-176.5-159.8178.5-0113.3S22 Q24S22-R26 PolarHBondContact O-NE 2.95Å; Q24-R26 PolarHBondContact O-N 3.02Å; Q24-R26 VanDerWaalsContact O-N 3.15Å
27K57Low68.8Low189 Ų189110.2 Ų110.282%0.82260%0.595SS**G310 helixtrans-88.4-14.1178.3-65.8-170.6178-173.60113.1Q24 A25Q24-K27 PolarHBondContact O-N 3.4Å; A25-K27 VanDerWaalsContact C-N 3.27Å; A25-K27 PolarHBondContact O-N 2.89Å
28T58.5Low70.7Confident121 Ų121108.5 Ų108.574%0.74258%0.577SS**SBendtrans-122.122.4-177.355.10000112.4A25A25-T28 PolarHBondContact O-N 3.07Å
29A67.8Low72.6Confident27 Ų27110.7 Ų110.722%0.22358%0.578CS.*SBendtrans-75.9136.3169.600000108.7A25 Q34A25-A29 PolarHBondContact O-N 2.84Å; A29-Q34 HydrophobicContact CB-CG 3.92Å; A29-Q34 PolarHBondContact O-NE2 3.43Å
30D87.6Confident74.7Confident72 Ų72109.3 Ų109.339%0.38556%0.563SS.*  trans-42.4131.3173.5170.63000110.3I32 Q33 Q34D30-I32 PolarHBondContact O-N 3.4Å; D30-I32 PolarHBondContact OD1-N 3.5Å; D30-Q33 HydrophobicContact CB-CB 4.35Å; D30-Q33 HydrophobicContact CB-CG 3.99Å; D30-Q33 WeakPolarHBondContact O-CB 3.32Å; D30-Q33 PolarHBondContact O-N 3.39Å; D30-Q34 PolarHBondContact O-N 2.87Å
31P89.5Confident76.9Confident91 Ų91111.3 Ų111.359%0.59155%0.554SS**Hα-helixtrans-43.2-37.7174.7-30.434.2000113.8Q34 Q35P31-Q34 PolarHBondContact O-N 3.15Å; P31-Q35 WeakPolarHBondContact O-CG 3.44Å; P31-Q35 PolarHBondContact O-N 2.95Å
32I89.9Confident78.9Confident113 Ų113109.8 Ų109.858%0.57954%0.537SS*.Hα-helixtrans-65.8-44.4178.6-63.4172.3000111.1D30 Q34 Q35 F36D30-I32 PolarHBondContact O-N 3.4Å; D30-I32 PolarHBondContact OD1-N 3.5Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 3.25Å; I32-Q35 WeakPolarHBondContact O-CB 3.34Å; I32-Q35 PolarHBondContact O-N 3.45Å; I32-F36 PolarHBondContact O-N 2.88Å
33Q91.8Very high80.8Confident115 Ų115113.3 Ų113.354%0.53754%0.541SS..Hα-helixtrans-64.4-39.4178-66.3179.2-4.400111.5D30 F36 V37D30-Q33 HydrophobicContact CB-CB 4.35Å; D30-Q33 HydrophobicContact CB-CG 3.99Å; D30-Q33 WeakPolarHBondContact O-CB 3.32Å; D30-Q33 PolarHBondContact O-N 3.39Å; Q33-F36 PolarHBondContact O-N 3.25Å; Q33-V37 WeakPolarHBondContact O-CG2 3.4Å; Q33-V37 PolarHBondContact O-N 3.3Å
34Q90Very high82.6Confident80 Ų80109.6 Ų109.637%0.37453%0.531SS..Hα-helixtrans-64.1-42.8174.9-62.2-173.52100111.5A29 D30 P31 I32 F36 V37 N38A29-Q34 HydrophobicContact CB-CG 3.92Å; A29-Q34 PolarHBondContact O-NE2 3.43Å; D30-Q34 PolarHBondContact O-N 2.87Å; P31-Q34 PolarHBondContact O-N 3.15Å; I32-Q34 VanDerWaalsContact C-N 3.33Å; I32-Q34 PolarHBondContact O-N 3.25Å; Q34-F36 PolarHBondContact O-N 3.13Å; Q34-V37 PolarHBondContact O-N 3.21Å; Q34-N38 WeakPolarHBondContact O-CB 3.49Å; Q34-N38 PolarHBondContact O-N 2.92Å; Q34-N38 PolarHBondContact O-ND2 3.21Å
35Q92.9Very high84.4Confident126 Ų126107.7 Ų107.759%0.58952%0.522SS*.Hα-helixtrans-59.6-46.2175.5-76.8-179.7-24.100111.5P31 I32 N38 K39P31-Q35 WeakPolarHBondContact O-CG 3.44Å; P31-Q35 PolarHBondContact O-N 2.95Å; I32-Q35 WeakPolarHBondContact O-CB 3.34Å; I32-Q35 PolarHBondContact O-N 3.45Å; Q35-N38 PolarHBondContact O-N 3.04Å; Q35-K39 VanDerWaalsContact O-CG 3.3Å; Q35-K39 WeakPolarHBondContact O-CG 3.37Å; Q35-K39 PolarHBondContact O-N 2.91Å
36F94.2Very high86.1Confident137 Ų137110 Ų11060%0.60152%0.521SS*.Hα-helixtrans-59.2-49.7177.5177.7-108.2000112.3I32 Q33 Q34 N38 K39 I40I32-F36 PolarHBondContact O-N 2.88Å; Q33-F36 PolarHBondContact O-N 3.25Å; Q34-F36 PolarHBondContact O-N 3.13Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 2.97Å; F36-K39 PolarHBondContact O-N 3.46Å; F36-K39 VanDerWaalsContact O-N 3.13Å; F36-I40 HydrophobicContact CD1-CD1 3.86Å; F36-I40 HydrophobicContact CE1-CD1 3.28Å; F36-I40 HydrophobicContact CE1-CG1 4.34Å; F36-I40 HydrophobicContact CE2-CD1 4.09Å; F36-I40 HydrophobicContact CE2-CG1 4.41Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.43Å; F36-I40 VanDerWaalsContact CZ-CD1 3.43Å; F36-I40 HydrophobicContact CZ-CG1 4.22Å; F36-I40 PolarHBondContact O-N 2.97Å
37V93.4Very high87.6Confident62 Ų62106.8 Ų106.838%0.37651%0.513SS..Hα-helixtrans-60.9-39.5177.2172.40000111.4Q33 Q34 I40 R41Q33-V37 WeakPolarHBondContact O-CG2 3.4Å; Q33-V37 PolarHBondContact O-N 3.3Å; Q34-V37 PolarHBondContact O-N 3.21Å; V37-I40 PolarHBondContact O-N 2.92Å; V37-R41 WeakPolarHBondContact O-CG 3.33Å; V37-R41 PolarHBondContact O-N 3.36Å
38N94.8Very high89Confident77 Ų77101.8 Ų101.841%0.41251%0.507SS..Hα-helixtrans-64.5-40.7175.7-71.7-22.4000111.7Q34 Q35 F36 R41 L42Q34-N38 WeakPolarHBondContact O-CB 3.49Å; Q34-N38 PolarHBondContact O-N 2.92Å; Q34-N38 PolarHBondContact O-ND2 3.21Å; Q35-N38 PolarHBondContact O-N 3.04Å; F36-N38 VanDerWaalsContact C-N 3.29Å; F36-N38 PolarHBondContact O-N 2.97Å; N38-R41 PolarHBondContact O-N 3.41Å; N38-L42 WeakPolarHBondContact O-CG 3.49Å; N38-L42 PolarHBondContact O-N 3.03Å
39K95.5Very high90.2Very high148 Ų148103 Ų10364%0.64351%0.509SS*.Hα-helixtrans-63.3-42175.4-69-67-175.9-1800112Q35 F36 R41 L42 Y43Q35-K39 VanDerWaalsContact O-CG 3.3Å; Q35-K39 WeakPolarHBondContact O-CG 3.37Å; Q35-K39 PolarHBondContact O-N 2.91Å; F36-K39 PolarHBondContact O-N 3.46Å; F36-K39 VanDerWaalsContact O-N 3.13Å; K39-R41 PolarHBondContact O-N 3.49Å; K39-L42 PolarHBondContact O-N 3.34Å; K39-Y43 WeakPolarHBondContact O-CB 3.3Å; K39-Y43 PolarHBondContact O-N 3Å
40I95.7Very high90.5Very high66 Ų66102.6 Ų102.634%0.33850%0.504SS..Hα-helixtrans-59.5-46.1174.1-71.2176.8000111F36 V37 L42 Y43 F44F36-I40 HydrophobicContact CD1-CD1 3.86Å; F36-I40 HydrophobicContact CE1-CD1 3.28Å; F36-I40 HydrophobicContact CE1-CG1 4.34Å; F36-I40 HydrophobicContact CE2-CD1 4.09Å; F36-I40 HydrophobicContact CE2-CG1 4.41Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.43Å; F36-I40 VanDerWaalsContact CZ-CD1 3.43Å; F36-I40 HydrophobicContact CZ-CG1 4.22Å; F36-I40 PolarHBondContact O-N 2.97Å; V37-I40 PolarHBondContact O-N 2.92Å; I40-L42 PolarHBondContact O-N 2.96Å; I40-Y43 WeakPolarHBondContact O-CB 3.21Å; I40-Y43 PolarHBondContact O-N 3.41Å; I40-F44 HydrophobicContact CG2-CD2 3.58Å; I40-F44 HydrophobicContact CG2-CE2 3.29Å; I40-F44 HydrophobicContact CG2-CZ 4.41Å; I40-F44 WeakPolarHBondContact O-CD2 3.41Å; I40-F44 PolarHBondContact O-N 3.27Å
41R95.5Very high89.9Confident148 Ų148101.1 Ų101.156%0.55851%0.506SS*.Hα-helixtrans-61.8-44.3178.3-72.4174179.91721.6112.2V37 N38 K39 Y43 F44 Q45V37-R41 WeakPolarHBondContact O-CG 3.33Å; V37-R41 PolarHBondContact O-N 3.36Å; N38-R41 PolarHBondContact O-N 3.41Å; K39-R41 PolarHBondContact O-N 3.49Å; R41-Y43 VanDerWaalsContact C-N 3.32Å; R41-Y43 PolarHBondContact O-N 2.84Å; R41-F44 PolarHBondContact O-N 3.35Å; R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.49Å
42L93.8Very high89.2Confident87 Ų87106.7 Ų106.746%0.45552%0.524SS..Hα-helixtrans-62.1-40.3176.3-71.5171.8000111.6N38 K39 I40 Q45 K46N38-L42 WeakPolarHBondContact O-CG 3.49Å; N38-L42 PolarHBondContact O-N 3.03Å; K39-L42 PolarHBondContact O-N 3.34Å; I40-L42 PolarHBondContact O-N 2.96Å; L42-Q45 PolarHBondContact O-N 3.48Å; L42-K46 WeakPolarHBondContact O-CG 3.37Å; L42-K46 PolarHBondContact O-N 3.35Å
43Y93.2Very high88.5Confident143 Ų143105.4 Ų105.456%0.56154%0.539SS*.Hα-helixtrans-59.7-50.7174.3172.6-94.2000111.5K39 I40 R41 Q45 K46 Q47K39-Y43 WeakPolarHBondContact O-CB 3.3Å; K39-Y43 PolarHBondContact O-N 3Å; I40-Y43 WeakPolarHBondContact O-CB 3.21Å; I40-Y43 PolarHBondContact O-N 3.41Å; R41-Y43 VanDerWaalsContact C-N 3.32Å; R41-Y43 PolarHBondContact O-N 2.84Å; Y43-Q45 VanDerWaalsContact C-N 3.3Å; Y43-Q45 PolarHBondContact O-N 3.46Å; Y43-K46 PolarHBondContact O-N 3.39Å; Y43-Q47 WeakPolarHBondContact O-CB 3.46Å; Y43-Q47 PolarHBondContact O-N 3.22Å
44F91Very high87.8Confident117 Ų117104.1 Ų104.151%0.51354%0.539SS..Hα-helixtrans-63.1-34.6178.3-74.9-57.9000113.2I40 R41 A48I40-F44 HydrophobicContact CG2-CD2 3.58Å; I40-F44 HydrophobicContact CG2-CE2 3.29Å; I40-F44 HydrophobicContact CG2-CZ 4.41Å; I40-F44 WeakPolarHBondContact O-CD2 3.41Å; I40-F44 PolarHBondContact O-N 3.27Å; R41-F44 PolarHBondContact O-N 3.35Å; F44-A48 WeakPolarHBondContact O-CB 3.31Å; F44-A48 PolarHBondContact O-N 3.22Å
45Q90.6Very high87.5Confident116 Ų116105 Ų10554%0.54255%0.545SS..Hα-helixtrans-64.4-47.7173-74.4173.3-3.100111.4R41 L42 Y43 Q47 A48 L49R41-Q45 WeakPolarHBondContact O-CG 3.33Å; R41-Q45 PolarHBondContact O-N 3.49Å; L42-Q45 PolarHBondContact O-N 3.48Å; Y43-Q45 VanDerWaalsContact C-N 3.3Å; Y43-Q45 PolarHBondContact O-N 3.46Å; Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.35Å; Q45-A48 PolarHBondContact O-N 3.18Å; Q45-L49 VanDerWaalsContact O-CG 3.31Å; Q45-L49 WeakPolarHBondContact O-CG 3.34Å; Q45-L49 PolarHBondContact O-N 2.96Å
46K90.2Very high87.1Confident107 Ų107101.8 Ų101.847%0.46554%0.535SS..Hα-helixtrans-61.9-41.1176.4-75-172.4172.2-145.20112.4L42 Y43 A48 L49 S50 V56 D57L42-K46 WeakPolarHBondContact O-CG 3.37Å; L42-K46 PolarHBondContact O-N 3.35Å; Y43-K46 PolarHBondContact O-N 3.39Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-L49 PolarHBondContact O-N 3.04Å; K46-S50 WeakPolarHBondContact O-CB 3.3Å; K46-S50 PolarHBondContact O-N 3.03Å; K46-V56 HydrophobicContact CB-CG1 4.1Å; K46-V56 HydrophobicContact CD-CG1 4.3Å; K46-V56 HydrophobicContact CG-CG1 4.31Å; K46-D57 IonicContact NZ-OD2 3.87Å
47Q87.1Confident86.6Confident100 Ų100101.2 Ų101.247%0.46754%0.538SS..Hα-helixtrans-64-37.2175.4-173.4-172.95.500112.1Y43 Q45Y43-Q47 WeakPolarHBondContact O-CB 3.46Å; Y43-Q47 PolarHBondContact O-N 3.22Å; Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.35Å
48A85.7Confident86.1Confident85 Ų8599.5 Ų99.570%0.70253%0.53SS*.Hα-helixtrans-73.7-31.8178.300000112.9F44 Q45 K46F44-A48 WeakPolarHBondContact O-CB 3.31Å; F44-A48 PolarHBondContact O-N 3.22Å; Q45-A48 PolarHBondContact O-N 3.18Å; K46-A48 VanDerWaalsContact C-N 3.34Å
49L83.2Confident85.8Confident147 Ų14797.9 Ų97.977%0.7753%0.525SS*.Hα-helixtrans-74.4-37.6176.9-68.3171.2000112.1Q45 K46 G51Q45-L49 VanDerWaalsContact O-CG 3.31Å; Q45-L49 WeakPolarHBondContact O-CG 3.34Å; Q45-L49 PolarHBondContact O-N 2.96Å; K46-L49 PolarHBondContact O-N 3.04Å; L49-G51 PolarHBondContact O-N 3.39Å
50S75.5Confident85.5Confident18 Ų1895.3 Ų95.313%0.12652%0.523CS..SBendtrans-94.296179.1-152.50000108.9K46 T54 V56K46-S50 WeakPolarHBondContact O-CB 3.3Å; K46-S50 PolarHBondContact O-N 3.03Å; S50-T54 PolarHBondContact OG-O 3.29Å; S50-T54 PolarHBondContact OG-OG1 3.16Å; S50-V56 VanDerWaalsContact OG-CA 3.3Å; S50-V56 WeakPolarHBondContact OG-CA 3.43Å; S50-V56 WeakPolarHBondContact OG-CG2 3.32Å; S50-V56 PolarHBondContact OG-N 3.09Å; S50-V56 VanDerWaalsContact OG-N 3.15Å
51G74.3Confident85.3Confident41 Ų4197.9 Ų97.942%0.42353%0.534SS..  trans-52.1158.5174.600000112.2L49 G53 T54L49-G51 PolarHBondContact O-N 3.39Å; G51-G53 PolarHBondContact O-N 2.94Å; G51-T54 PolarHBondContact N-OG1 3.22Å; G51-T54 PolarHBondContact O-N 2.63Å; G51-T54 PolarHBondContact O-OG1 3.06Å
52E75.3Confident85.2Confident207 Ų20794.4 Ų94.497%0.96753%0.526SS*.THydrogen-bonded Turntrans-51.4124.8179.7-169.2171.4-174.400110.9
53G73.8Confident85Confident87 Ų8794.8 Ų94.890%0.89753%0.525SS*.THydrogen-bonded Turntrans86.1-0.4-179.900000116.3G51G51-G53 PolarHBondContact O-N 2.94Å
54T78.7Confident85.1Confident88 Ų8890.4 Ų90.454%0.5452%0.515SS..PPolyproline II helixtrans-102.5142.6175.1610000111.8S50 G51S50-T54 PolarHBondContact OG-O 3.29Å; S50-T54 PolarHBondContact OG-OG1 3.16Å; G51-T54 PolarHBondContact N-OG1 3.22Å; G51-T54 PolarHBondContact O-N 2.63Å; G51-T54 PolarHBondContact O-OG1 3.06Å
55L83.7Confident85.2Confident97 Ų9790.8 Ų90.851%0.50852%0.519SS..PPolyproline II helixtrans-77.7123.8178.6-178.465.3000110.1D57 A58 I62L55-D57 PolarHBondContact O-N 2.79Å; L55-A58 HydrophobicContact CB-CB 3.86Å; L55-A58 HydrophobicContact CD2-CB 3.58Å; L55-A58 HydrophobicContact CG-CB 3.75Å; L55-I62 HydrophobicContact CD2-CB 4.38Å; L55-I62 HydrophobicContact CD2-CG2 3.52Å
56V84.8Confident85.4Confident60 Ų6089.8 Ų89.836%0.36452%0.517SS..THydrogen-bonded Turntrans-62.8124.5179.9-176.20000109.2K46 S50 A58K46-V56 HydrophobicContact CB-CG1 4.1Å; K46-V56 HydrophobicContact CD-CG1 4.3Å; K46-V56 HydrophobicContact CG-CG1 4.31Å; S50-V56 VanDerWaalsContact OG-CA 3.3Å; S50-V56 WeakPolarHBondContact OG-CA 3.43Å; S50-V56 WeakPolarHBondContact OG-CG2 3.32Å; S50-V56 PolarHBondContact OG-N 3.09Å; S50-V56 VanDerWaalsContact OG-N 3.15Å; V56-A58 VanDerWaalsContact C-N 3.26Å; V56-A58 PolarHBondContact O-N 3.15Å
57D82.5Confident85.5Confident125 Ų12591 Ų9167%0.66852%0.522SS*.THydrogen-bonded Turntrans53.136.7175.4-55.1-36000114.4K46 L55 S59K46-D57 IonicContact NZ-OD2 3.87Å; L55-D57 PolarHBondContact O-N 2.79Å; D57-S59 PolarHBondContact O-N 3.18Å; D57-S59 VanDerWaalsContact O-N 3.09Å
58A83.9Confident85.9Confident26 Ų2691.9 Ų91.922%0.21553%0.526CS..  trans-63.2109-17800000112.8L55 V56 Q63L55-A58 HydrophobicContact CB-CB 3.86Å; L55-A58 HydrophobicContact CD2-CB 3.58Å; L55-A58 HydrophobicContact CG-CB 3.75Å; V56-A58 VanDerWaalsContact C-N 3.26Å; V56-A58 PolarHBondContact O-N 3.15Å; A58-Q63 HydrophobicContact CB-CG 4.04Å
59S87.6Confident86.3Confident43 Ų4392.6 Ų92.630%0.30152%0.515SS..  trans-69.3156.8168.3108.30000110.4D57 Q61 I62 Q63D57-S59 PolarHBondContact O-N 3.18Å; D57-S59 VanDerWaalsContact O-N 3.09Å; S59-Q61 PolarHBondContact O-N 3.25Å; S59-Q61 VanDerWaalsContact O-N 3.16Å; S59-Q61 PolarHBondContact OG-N 3.01Å; S59-Q61 PolarHBondContact OG-OE1 3.44Å; S59-I62 PolarHBondContact O-N 2.75Å; S59-Q63 PolarHBondContact O-N 3.48Å
60P89.6Confident86.8Confident94 Ų9490.4 Ų90.461%0.6150%0.503SS*.Hα-helixtrans-59.7-27.7-179.723-31.9000112.9Q63 S64P60-Q63 PolarHBondContact O-N 3.2Å; P60-S64 PolarHBondContact O-N 2.77Å; P60-S64 PolarHBondContact O-OG 3.39Å
61Q92Very high87.6Confident119 Ų11994.9 Ų94.956%0.55652%0.522SS*.Hα-helixtrans-65.6-42.7174.3-6682.4-200112.5S59 Q63 S64 E65S59-Q61 PolarHBondContact O-N 3.25Å; S59-Q61 VanDerWaalsContact O-N 3.16Å; S59-Q61 PolarHBondContact OG-N 3.01Å; S59-Q61 PolarHBondContact OG-OE1 3.44Å; Q61-Q63 VanDerWaalsContact C-N 3.28Å; Q61-Q63 PolarHBondContact O-N 3.43Å; Q61-S64 WeakPolarHBondContact CA-OG 3.29Å; Q61-S64 PolarHBondContact O-N 2.96Å; Q61-S64 PolarHBondContact O-OG 2.96Å; Q61-E65 PolarHBondContact O-N 3.22Å
62I92.3Very high88.6Confident76 Ų7699.3 Ų99.339%0.3953%0.526SS..Hα-helixtrans-68.1-35.7179-55.8173.9000110.2L55 S59 S64 L66L55-I62 HydrophobicContact CD2-CB 4.38Å; L55-I62 HydrophobicContact CD2-CG2 3.52Å; S59-I62 PolarHBondContact O-N 2.75Å; I62-S64 VanDerWaalsContact C-N 3.34Å; I62-L66 WeakPolarHBondContact O-CB 3.44Å; I62-L66 PolarHBondContact O-N 3.22Å
63Q91.2Very high89.5Confident95 Ų9593.1 Ų93.144%0.44450%0.499SS..Hα-helixtrans-67.8-33.6175.1-63.7-175.911.800112.5A58 S59 P60 Q61 K67A58-Q63 HydrophobicContact CB-CG 4.04Å; S59-Q63 PolarHBondContact O-N 3.48Å; P60-Q63 PolarHBondContact O-N 3.2Å; Q61-Q63 VanDerWaalsContact C-N 3.28Å; Q61-Q63 PolarHBondContact O-N 3.43Å; Q63-K67 VanDerWaalsContact O-CG 3.29Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.03Å
64S93.6Very high90.3Very high51 Ų5191 Ų9136%0.35747%0.471SS..Hα-helixtrans-71.3-45.2174.157.40000111.8P60 Q61 I62 L66 K67 E68P60-S64 PolarHBondContact O-N 2.77Å; P60-S64 PolarHBondContact O-OG 3.39Å; Q61-S64 WeakPolarHBondContact CA-OG 3.29Å; Q61-S64 PolarHBondContact O-N 2.96Å; Q61-S64 PolarHBondContact O-OG 2.96Å; I62-S64 VanDerWaalsContact C-N 3.34Å; S64-L66 VanDerWaalsContact C-N 3.32Å; S64-L66 PolarHBondContact O-N 2.88Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.46Å; S64-K67 VanDerWaalsContact O-N 3.1Å; S64-E68 WeakPolarHBondContact O-CG 3.32Å; S64-E68 PolarHBondContact O-N 3.1Å
65E94.7Very high91Very high124 Ų12495.5 Ų95.558%0.57948%0.478SS*.Hα-helixtrans-57.5-44.9174.7-81.2-179.4163.500111.6Q61 K67 E68 E69Q61-E65 PolarHBondContact O-N 3.22Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.21Å; E65-E68 PolarHBondContact O-N 3.34Å; E65-E69 WeakPolarHBondContact O-CG 3.36Å; E65-E69 PolarHBondContact O-N 2.89Å
66L93.4Very high91.5Very high96 Ų9695.9 Ų95.950%0.50348%0.48SS..Hα-helixtrans-58.7-41.7176.5179.462.9000111.7I62 S64 L70I62-L66 WeakPolarHBondContact O-CB 3.44Å; I62-L66 PolarHBondContact O-N 3.22Å; S64-L66 VanDerWaalsContact C-N 3.32Å; S64-L66 PolarHBondContact O-N 2.88Å; L66-L70 HydrophobicContact CD1-CD1 4.34Å; L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.19Å; L66-L70 WeakPolarHBondContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 3.42Å
67K92.5Very high91.9Very high131 Ų131101.2 Ų101.257%0.5749%0.494SS*.Hα-helixtrans-67.3-42.1177.3-74.6172.8-178.1177.20111.9Q63 S64 E65 L70 Q71Q63-K67 VanDerWaalsContact O-CG 3.29Å; Q63-K67 WeakPolarHBondContact O-CG 3.47Å; Q63-K67 PolarHBondContact O-N 3.03Å; S64-K67 WeakPolarHBondContact O-CB 3.47Å; S64-K67 PolarHBondContact O-N 3.46Å; S64-K67 VanDerWaalsContact O-N 3.1Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.21Å; K67-L70 PolarHBondContact O-N 3.34Å; K67-Q71 WeakPolarHBondContact O-CB 3.42Å; K67-Q71 VanDerWaalsContact O-CG 3.3Å; K67-Q71 WeakPolarHBondContact O-CG 3.42Å; K67-Q71 PolarHBondContact O-N 2.99Å
68E95.6Very high92.1Very high119 Ų11997.7 Ų97.756%0.55649%0.488SS*.Hα-helixtrans-63.5-43.2178.2-73.8175.8-163.800111.6S64 E65 Q71 R72S64-E68 WeakPolarHBondContact O-CG 3.32Å; S64-E68 PolarHBondContact O-N 3.1Å; E65-E68 PolarHBondContact O-N 3.34Å; E68-Q71 PolarHBondContact O-N 3.17Å; E68-R72 WeakPolarHBondContact O-CB 3.21Å; E68-R72 PolarHBondContact O-N 3.08Å
69E94.8Very high92.2Very high100 Ų10099.7 Ų99.747%0.46750%0.497SS..Hα-helixtrans-66.4-41.8175.8-71.9-60.2158.200111.8E65 Q71 R72 L73E65-E69 WeakPolarHBondContact O-CG 3.36Å; E65-E69 PolarHBondContact O-N 2.89Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 2.85Å; E69-R72 WeakPolarHBondContact O-CB 3.36Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-R72 VanDerWaalsContact O-N 3.17Å; E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 2.89Å
70L92.8Very high91.9Very high101 Ų101101.6 Ų101.653%0.52951%0.507SS..Hα-helixtrans-61.8-40.1173.9-73.8173.8000112.2L66 K67 L73 S74L66-L70 HydrophobicContact CD1-CD1 4.34Å; L66-L70 HydrophobicContact CD1-CG 4.41Å; L66-L70 HydrophobicContact CG-CD1 4.19Å; L66-L70 WeakPolarHBondContact O-CB 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 3.42Å; K67-L70 PolarHBondContact O-N 3.34Å; L70-L73 PolarHBondContact O-N 3.19Å; L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 3.41Å
71Q93.2Very high91.4Very high112 Ų112104.6 Ų104.652%0.52352%0.518SS..Hα-helixtrans-67.4-35.3174.1-75.5-179.8-700112.5K67 E68 E69 S74 R75K67-Q71 WeakPolarHBondContact O-CB 3.42Å; K67-Q71 VanDerWaalsContact O-CG 3.3Å; K67-Q71 WeakPolarHBondContact O-CG 3.42Å; K67-Q71 PolarHBondContact O-N 2.99Å; E68-Q71 PolarHBondContact O-N 3.17Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 2.85Å; Q71-S74 WeakPolarHBondContact CA-OG 3.45Å; Q71-S74 PolarHBondContact O-OG 3.41Å; Q71-R75 WeakPolarHBondContact O-CG 3.46Å; Q71-R75 PolarHBondContact O-N 3.33Å
72R95.5Very high90.8Very high134 Ų134105.1 Ų105.151%0.50653%0.525SS..Hα-helixtrans-64.1-46.8173.8-177.4-176.4-175.7159.73.2110.6E68 E69 R75 I76E68-R72 WeakPolarHBondContact O-CB 3.21Å; E68-R72 PolarHBondContact O-N 3.08Å; E69-R72 WeakPolarHBondContact O-CB 3.36Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-R72 VanDerWaalsContact O-N 3.17Å; R72-R75 PolarHBondContact O-N 2.92Å; R72-I76 HydrophobicContact CG-CD1 3.9Å; R72-I76 WeakPolarHBondContact O-CG1 3.19Å; R72-I76 PolarHBondContact O-N 3.45Å; R72-I76 VanDerWaalsContact O-N 3.08Å
73L93.3Very high90.3Very high77 Ų77105.1 Ų105.140%0.40353%0.528SS..Hα-helixtrans-63.8-41.2178.2-69174.1000112E69 L70 R75 I76 Y77E69-L73 WeakPolarHBondContact O-CG 3.4Å; E69-L73 PolarHBondContact O-N 2.89Å; L70-L73 PolarHBondContact O-N 3.19Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 3.15Å; L73-I76 PolarHBondContact O-N 2.97Å; L73-Y77 HydrophobicContact CD2-CD2 4.16Å; L73-Y77 HydrophobicContact CD2-CE2 3.92Å; L73-Y77 PolarHBondContact O-N 2.95Å
74S91.6Very high90Very high44 Ų44107.3 Ų107.331%0.30855%0.548SS..Hα-helixtrans-62-3717769.20000112.7L70 Q71 G78 V79L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 3.41Å; Q71-S74 WeakPolarHBondContact CA-OG 3.45Å; Q71-S74 PolarHBondContact O-OG 3.41Å; S74-G78 CarbonylContact O-C 3.53Å; S74-G78 WeakPolarHBondContact O-CA 3.34Å; S74-G78 PolarHBondContact O-N 3.28Å; S74-V79 VanDerWaalsContact CB-O 3.29Å; S74-V79 WeakPolarHBondContact CB-O 3.29Å; S74-V79 PolarHBondContact O-N 3.38Å; S74-V79 VanDerWaalsContact O-N 3.15Å
75R92Very high89.7Confident182 Ų182114.9 Ų114.969%0.68757%0.568SS**Hα-helixtrans-67.8-44.7173.8-71.1-175.1-61.3-124.51113.1Q71 R72 L73Q71-R75 WeakPolarHBondContact O-CG 3.46Å; Q71-R75 PolarHBondContact O-N 3.33Å; R72-R75 PolarHBondContact O-N 2.92Å; L73-R75 VanDerWaalsContact C-N 3.29Å; L73-R75 PolarHBondContact O-N 3.15Å
76I95.1Very high89.5Confident105 Ų105117.2 Ų117.254%0.53858%0.577SS.*Hα-helixtrans-69.4-44.3-175.4-68169.5000111.3R72 L73R72-I76 HydrophobicContact CG-CD1 3.9Å; R72-I76 WeakPolarHBondContact O-CG1 3.19Å; R72-I76 PolarHBondContact O-N 3.45Å; R72-I76 VanDerWaalsContact O-N 3.08Å; L73-I76 PolarHBondContact O-N 2.97Å
77Y92.3Very high89.3Confident171 Ų171116.3 Ų116.367%0.67158%0.577SS**Hα-helixtrans-102.9-0.7-171.6-67.9-71.6000113.6L73 V79L73-Y77 HydrophobicContact CD2-CD2 4.16Å; L73-Y77 HydrophobicContact CD2-CE2 3.92Å; L73-Y77 PolarHBondContact O-N 2.95Å; Y77-V79 PolarHBondContact O-N 3.39Å
78G87.6Confident89.1Confident51 Ų51115.4 Ų115.453%0.52659%0.587SS.*THydrogen-bonded Turntrans62.832-174.100000112.4S74 T80S74-G78 CarbonylContact O-C 3.53Å; S74-G78 WeakPolarHBondContact O-CA 3.34Å; S74-G78 PolarHBondContact O-N 3.28Å; G78-T80 PolarHBondContact O-N 2.98Å
79V84.8Confident88.9Confident68 Ų68115 Ų11541%0.41259%0.588SS.*  trans-72.2101.2-178.9177.30000108.9S74 Y77 T83S74-V79 VanDerWaalsContact CB-O 3.29Å; S74-V79 WeakPolarHBondContact CB-O 3.29Å; S74-V79 PolarHBondContact O-N 3.38Å; S74-V79 VanDerWaalsContact O-N 3.15Å; Y77-V79 PolarHBondContact O-N 3.39Å; V79-T83 HydrophobicContact CB-CG2 3.99Å; V79-T83 HydrophobicContact CG1-CG2 3.74Å; V79-T83 WeakPolarHBondContact CG1-OG1 3.38Å; V79-T83 HydrophobicContact CG2-CG2 4.21Å
80T81.2Confident88.8Confident83 Ų83116.3 Ų116.351%0.50960%0.603SS.*  trans-95.8171.9167.859.70000110.4G78 D82 T83G78-T80 PolarHBondContact O-N 2.98Å; T80-D82 PolarHBondContact O-N 2.7Å; T80-T83 WeakPolarHBondContact O-CB 3.37Å; T80-T83 WeakPolarHBondContact O-CG2 3.38Å; T80-T83 PolarHBondContact O-N 3.04Å; T80-T83 PolarHBondContact O-OG1 3.29Å
81D79.3Confident88.8Confident158 Ų158119.3 Ų119.385%0.84561%0.612SS**G310 helixtrans-55.3-24.1175.3-62.5-22.9000112.6T83D81-T83 VanDerWaalsContact C-N 3.26Å; D81-T83 PolarHBondContact O-N 2.99Å
82D81.1Confident88.6Confident130 Ų130119.8 Ų119.870%0.69563%0.625SS**G310 helixtrans-73.6-11.8178.4-68.8-21.5000113.9T80 V84 R85T80-D82 PolarHBondContact O-N 2.7Å; D82-V84 PolarHBondContact O-N 2.92Å; D82-V84 VanDerWaalsContact O-N 3.11Å; D82-R85 PolarHBondContact O-N 3.11Å; D82-R85 VanDerWaalsContact O-O 3.1Å
83T80Confident88.2Confident76 Ų76122.1 Ų122.147%0.46664%0.642SS.*G310 helixtrans-62.5-18.6-178.749.60000115V79 T80 D81 R85V79-T83 HydrophobicContact CB-CG2 3.99Å; V79-T83 HydrophobicContact CG1-CG2 3.74Å; V79-T83 WeakPolarHBondContact CG1-OG1 3.38Å; V79-T83 HydrophobicContact CG2-CG2 4.21Å; T80-T83 WeakPolarHBondContact O-CB 3.37Å; T80-T83 WeakPolarHBondContact O-CG2 3.38Å; T80-T83 PolarHBondContact O-N 3.04Å; T80-T83 PolarHBondContact O-OG1 3.29Å; D81-T83 VanDerWaalsContact C-N 3.26Å; D81-T83 PolarHBondContact O-N 2.99Å; T83-R85 PolarHBondContact O-N 3.33Å
84V85.8Confident87.9Confident140 Ų140121.8 Ų121.885%0.84865%0.65SS**G310 helixtrans-63.3-25.7172.3-175.10000110.9D82D82-V84 PolarHBondContact O-N 2.92Å; D82-V84 VanDerWaalsContact O-N 3.11Å
85R87.7Confident87.6Confident210 Ų210129.3 Ų129.379%0.79268%0.677SS**SBendtrans-103.6132.2177.5-170.7177.4177.7-153.7-1.9110.6D82 T83D82-R85 PolarHBondContact O-N 3.11Å; D82-R85 VanDerWaalsContact O-O 3.1Å; T83-R85 PolarHBondContact O-N 3.33Å
86F89.4Confident87.2Confident173 Ų173128.9 Ų128.976%0.75968%0.68SS**PPolyproline II helixtrans-59.2135.4172.4-173.6-94.4000111.1
87P89.5Confident86.5Confident78 Ų78131 Ų13151%0.50669%0.693SS.*PPolyproline II helixtrans-68.9142.6-176.927.8-35000112L89P87-L89 HydrophobicContact CB-CD2 4.36Å; P87-L89 HydrophobicContact CG-CD2 4.33Å; P87-L89 PolarHBondContact O-N 2.75Å
88S89.5Confident85.6Confident112 Ų112129.8 Ų129.878%0.78370%0.696SS**  trans-82.7108.4167.2-174.70000108.7
89L91.1Very high84.9Confident111 Ų111133.1 Ų133.158%0.58171%0.706SS**  trans-85.8120.2179-58177000109.9P87 F91P87-L89 HydrophobicContact CB-CD2 4.36Å; P87-L89 HydrophobicContact CG-CD2 4.33Å; P87-L89 PolarHBondContact O-N 2.75Å; L89-F91 HydrophobicContact CB-CE2 3.87Å; L89-F91 HydrophobicContact CB-CZ 3.99Å; L89-F91 HydrophobicContact CD1-CZ 4.13Å
90T91.8Very high83.6Confident126 Ų126133 Ų13377%0.77371%0.705SS**  trans-114.7119.7169.9-53.70000108
91F92.4Very high82.7Confident165 Ų165135.9 Ų135.972%0.72472%0.715SS**PPolyproline II helixtrans-96126.8177.7-60.4-80.7000108.9L89L89-F91 HydrophobicContact CB-CE2 3.87Å; L89-F91 HydrophobicContact CB-CZ 3.99Å; L89-F91 HydrophobicContact CD1-CZ 4.13Å
92P89.8Confident81.7Confident122 Ų122133.9 Ų133.979%0.79271%0.708SS**PPolyproline II helixtrans-64141.9169.228.2-32.4000108.9A94P92-A94 PolarHBondContact O-N 3.02Å
93E87.3Confident80.6Confident183 Ų183132.8 Ų132.886%0.85570%0.703SS**PPolyproline II helixtrans-58.9137173.9-70-175.2173.700110.1K95E93-K95 PolarHBondContact O-N 3.41Å
94A87.3Confident79.6Confident69 Ų69133.5 Ų133.557%0.5770%0.7SS**PPolyproline II helixtrans-64119.4178.700000109.5P92 F96P92-A94 PolarHBondContact O-N 3.02Å; A94-F96 HydrophobicContact CB-CD2 4.27Å; A94-F96 HydrophobicContact CB-CE1 4.36Å; A94-F96 HydrophobicContact CB-CE2 3.57Å; A94-F96 HydrophobicContact CB-CZ 3.62Å; A94-F96 WeakPolarHBondContact O-CD2 3.26Å; A94-F96 PolarHBondContact O-N 3.35Å
95K85.1Confident78.6Confident203 Ų203129.3 Ų129.388%0.88368%0.681SS**  trans-79.7102.6173.8-66.1-179.9177.1178.10108.6E93E93-K95 PolarHBondContact O-N 3.41Å
96F82.7Confident77.6Confident172 Ų172122 Ų12275%0.75467%0.665SS**  trans-90.4120.7170.9-59.7-76.5000109.1A94 I98A94-F96 HydrophobicContact CB-CD2 4.27Å; A94-F96 HydrophobicContact CB-CE1 4.36Å; A94-F96 HydrophobicContact CB-CE2 3.57Å; A94-F96 HydrophobicContact CB-CZ 3.62Å; A94-F96 WeakPolarHBondContact O-CD2 3.26Å; A94-F96 PolarHBondContact O-N 3.35Å; F96-I98 PolarHBondContact O-N 3.21Å
97N81.6Confident76.5Confident150 Ų150116.3 Ų116.380%0.80265%0.65SS**  trans-85.7108.5165.3-65.8-37.4000107.1V99N97-V99 PolarHBondContact O-N 3.14Å
98I73.8Confident75.6Confident145 Ų145117.7 Ų117.774%0.74465%0.65SS**  trans-73.7106.3172.7-56.4174.3000106.5F96 T100F96-I98 PolarHBondContact O-N 3.21Å; I98-T100 HydrophobicContact CG2-CG2 3.8Å; I98-T100 PolarHBondContact O-N 3.07Å
99V70.9Confident74.9Confident121 Ų121121.1 Ų121.173%0.73365%0.646SS**  trans-78.3100.2169-177.40000106.8N97N97-V99 PolarHBondContact O-N 3.14Å
100T59.4Low74.1Confident65 Ų65122 Ų12240%0.39965%0.647SS.*  trans-86.7126.6171.648.10000109.1I98 V102I98-T100 HydrophobicContact CG2-CG2 3.8Å; I98-T100 PolarHBondContact O-N 3.07Å; T100-V102 PolarHBondContact O-N 3.32Å
101M60.6Low73.5Confident144 Ų144124.4 Ų124.471%0.70964%0.642SS**THydrogen-bonded Turntrans-68.321.7172.5-54.6-72.9-69.300113
102V59.8Low72.5Confident116 Ų116121.2 Ų121.270%0.70363%0.632SS**THydrogen-bonded Turntrans-120.2-24.5-170.2-178.10000112T100 E104T100-V102 PolarHBondContact O-N 3.32Å; V102-E104 VanDerWaalsContact C-N 3.29Å
103D57Low71.8Confident108 Ų108121 Ų12158%0.57862%0.62SS**THydrogen-bonded Turntrans-84-8.8171.4-69.2-26.7000112.6A105 A106 A107D103-A105 PolarHBondContact O-N 3.41Å; D103-A106 PolarHBondContact O-N 2.92Å; D103-A107 VanDerWaalsContact O-CB 3.27Å; D103-A107 WeakPolarHBondContact O-CB 3.23Å; D103-A107 PolarHBondContact O-N 3.24Å
104E59Low70.8Confident90 Ų90118.4 Ų118.442%0.42161%0.608SS.*Hα-helixtrans-59.1-33.7173.5-71.7178.3170.500111.4V102 E108V102-E104 VanDerWaalsContact C-N 3.29Å; E104-E108 WeakPolarHBondContact O-CA 3.39Å; E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 VanDerWaalsContact O-CG 3.23Å; E104-E108 WeakPolarHBondContact O-CG 3.47Å; E104-E108 PolarHBondContact O-N 3.12Å
105A64.6Low69.6Low53 Ų53118.6 Ų118.644%0.43860%0.602SS.*Hα-helixtrans-72.5-32.3-179.700000113.7D103 R109D103-A105 PolarHBondContact O-N 3.41Å; A105-R109 WeakPolarHBondContact O-CB 3.4Å; A105-R109 WeakPolarHBondContact O-CD 3.2Å; A105-R109 WeakPolarHBondContact O-CG 3.38Å; A105-R109 PolarHBondContact O-N 3.11Å; A105-R109 VanDerWaalsContact O-N 3.11Å
106A67.6Low68.6Low55 Ų55113.4 Ų113.446%0.45558%0.584SS.*Hα-helixtrans-82.6-39.4176.800000111.1D103 R109 Q110D103-A106 PolarHBondContact O-N 2.92Å; A106-R109 PolarHBondContact O-N 3.4Å; A106-Q110 WeakPolarHBondContact O-CG 3.3Å; A106-Q110 PolarHBondContact O-N 3.2Å
107A66.3Low67.7Low55 Ų55110.9 Ų110.946%0.45557%0.574SS.*Hα-helixtrans-68.1-35.4172.900000111.9D103 R111D103-A107 VanDerWaalsContact O-CB 3.27Å; D103-A107 WeakPolarHBondContact O-CB 3.23Å; D103-A107 PolarHBondContact O-N 3.24Å; A107-R111 WeakPolarHBondContact O-CB 3.12Å; A107-R111 PolarHBondContact O-N 2.81Å
108E70.2Confident66.5Low107 Ų107105.9 Ų105.950%0.555%0.551SS.*Hα-helixtrans-69.6-37.4171.6-87-176.1132.100111.4E104 R111 L112E104-E108 WeakPolarHBondContact O-CA 3.39Å; E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 VanDerWaalsContact O-CG 3.23Å; E104-E108 WeakPolarHBondContact O-CG 3.47Å; E104-E108 PolarHBondContact O-N 3.12Å; E108-R111 CarbonylContact O-C 3.4Å; E108-R111 PolarHBondContact O-N 3.31Å; E108-L112 WeakPolarHBondContact O-CA 3.23Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.26Å; E108-L112 PolarHBondContact O-N 3.19Å
109R74.9Confident65.6Low184 Ų184100.9 Ų100.969%0.69453%0.529SS*.Hα-helixtrans-63.9-45.6173.6-80.7172-173175.43.7111.5A105 A106 R111 L112 E113A105-R109 WeakPolarHBondContact O-CB 3.4Å; A105-R109 WeakPolarHBondContact O-CD 3.2Å; A105-R109 WeakPolarHBondContact O-CG 3.38Å; A105-R109 PolarHBondContact O-N 3.11Å; A105-R109 VanDerWaalsContact O-N 3.11Å; A106-R109 PolarHBondContact O-N 3.4Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 2.9Å; R109-L112 PolarHBondContact O-N 3.24Å; R109-E113 WeakPolarHBondContact O-CB 3.04Å; R109-E113 PolarHBondContact O-N 3.42Å
110Q74.8Confident64.7Low130 Ų130101.8 Ų101.861%0.60753%0.527SS*.Hα-helixtrans-65.9-35.8175-72.7177.7-600111.9A106 Q114A106-Q110 WeakPolarHBondContact O-CG 3.3Å; A106-Q110 PolarHBondContact O-N 3.2Å; Q110-Q114 WeakPolarHBondContact O-CB 3.2Å; Q110-Q114 VanDerWaalsContact O-CG 3.22Å; Q110-Q114 WeakPolarHBondContact O-CG 3.31Å; Q110-Q114 PolarHBondContact O-N 3.05Å
111R78.2Confident64.4Low176 Ų176106.6 Ų106.666%0.66455%0.545SS*.Hα-helixtrans-71.6-38175.1-172.4-179.3175.4-154.5-2.1112.1A107 E108 R109 V115A107-R111 WeakPolarHBondContact O-CB 3.12Å; A107-R111 PolarHBondContact O-N 2.81Å; E108-R111 CarbonylContact O-C 3.4Å; E108-R111 PolarHBondContact O-N 3.31Å; R109-R111 VanDerWaalsContact C-N 3.31Å; R109-R111 PolarHBondContact O-N 2.9Å; R111-V115 HydrophobicContact CG-CG2 4.49Å; R111-V115 WeakPolarHBondContact O-CB 3.04Å; R111-V115 WeakPolarHBondContact O-CG2 3.49Å; R111-V115 PolarHBondContact O-N 3.06Å
112L72.3Confident63.8Low98 Ų98104.2 Ų104.251%0.51353%0.532SS..Hα-helixtrans-70-39.6174.5-86.4159000110.8E108 R109 V115 D116E108-L112 WeakPolarHBondContact O-CA 3.23Å; E108-L112 WeakPolarHBondContact O-CB 3.31Å; E108-L112 WeakPolarHBondContact O-CG 3.26Å; E108-L112 PolarHBondContact O-N 3.19Å; R109-L112 PolarHBondContact O-N 3.24Å; L112-V115 CarbonylContact O-C 3.45Å; L112-V115 PolarHBondContact O-N 3.2Å; L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.17Å; L112-D116 VanDerWaalsContact O-CG 3.22Å; L112-D116 PolarHBondContact O-N 3.1Å
113E75.1Confident63Low117 Ų117102.4 Ų102.455%0.54752%0.521SS..Hα-helixtrans-69.5-40.6174.7-169.4168-149.100110.5R109 V115 D116 E117R109-E113 WeakPolarHBondContact O-CB 3.04Å; R109-E113 PolarHBondContact O-N 3.42Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-D116 PolarHBondContact O-N 3.02Å; E113-E117 VanDerWaalsContact O-CB 3.26Å; E113-E117 WeakPolarHBondContact O-CB 3.47Å; E113-E117 VanDerWaalsContact O-CG 3.28Å; E113-E117 WeakPolarHBondContact O-CG 3.48Å; E113-E117 PolarHBondContact O-N 2.71Å
114Q66.4Low62.4Low129 Ų129101.8 Ų101.860%0.60353%0.531SS*.Hα-helixtrans-66.1-34.3169-79-178-19.200112.3Q110 S118Q110-Q114 WeakPolarHBondContact O-CB 3.2Å; Q110-Q114 VanDerWaalsContact O-CG 3.22Å; Q110-Q114 WeakPolarHBondContact O-CG 3.31Å; Q110-Q114 PolarHBondContact O-N 3.05Å; Q114-S118 WeakPolarHBondContact O-CA 3.43Å; Q114-S118 WeakPolarHBondContact O-CB 3.21Å; Q114-S118 PolarHBondContact O-N 3.01Å; Q114-S118 PolarHBondContact O-OG 3.13Å
115V61.8Low61.9Low72 Ų72100.6 Ų100.644%0.43654%0.543SS..Hα-helixtrans-73.1-30.51741650000111R111 L112 E113 S118 S119R111-V115 HydrophobicContact CG-CG2 4.49Å; R111-V115 WeakPolarHBondContact O-CB 3.04Å; R111-V115 WeakPolarHBondContact O-CG2 3.49Å; R111-V115 PolarHBondContact O-N 3.06Å; L112-V115 CarbonylContact O-C 3.45Å; L112-V115 PolarHBondContact O-N 3.2Å; E113-V115 VanDerWaalsContact C-N 3.34Å; V115-S118 VanDerWaalsContact CA-OG 3.31Å; V115-S118 WeakPolarHBondContact CA-OG 3.4Å; V115-S118 PolarHBondContact O-OG 3.5Å; V115-S119 WeakPolarHBondContact O-CA 3.18Å; V115-S119 WeakPolarHBondContact O-CB 3.16Å; V115-S119 PolarHBondContact O-N 2.79Å; V115-S119 PolarHBondContact O-OG 3.43Å
116D63.4Low61.2Low94 Ų94100.8 Ų100.850%0.50354%0.539SS..Hα-helixtrans-77.4-42.7174.7-77.1-17.6000110L112 E113 S119 M120L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.17Å; L112-D116 VanDerWaalsContact O-CG 3.22Å; L112-D116 PolarHBondContact O-N 3.1Å; E113-D116 PolarHBondContact O-N 3.02Å; D116-S119 VanDerWaalsContact CA-OG 3.32Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 CarbonylContact O-C 3.32Å; D116-S119 PolarHBondContact O-N 3.03Å; D116-S119 PolarHBondContact O-OG 2.8Å; D116-M120 WeakPolarHBondContact O-CB 3.17Å; D116-M120 WeakPolarHBondContact O-CG 3.29Å; D116-M120 PolarHBondContact O-N 3.36Å
117E64.5Low60.3Low120 Ų120108.1 Ų108.156%0.56156%0.555SS**Hα-helixtrans-69.4-45.3175.6-74.8-178.316400112.1E113 M120 E121E113-E117 VanDerWaalsContact O-CB 3.26Å; E113-E117 WeakPolarHBondContact O-CB 3.47Å; E113-E117 VanDerWaalsContact O-CG 3.28Å; E113-E117 WeakPolarHBondContact O-CG 3.48Å; E113-E117 PolarHBondContact O-N 2.71Å; E117-M120 PolarHBondContact O-N 3.45Å; E117-E121 PolarHBondContact O-N 2.71Å
118S55.5Low59.3Low44 Ų44113.3 Ų113.331%0.30857%0.574SS.*Hα-helixtrans-60.7-56.1166.355.40000107.6Q114 V115 M120 E121 E122Q114-S118 WeakPolarHBondContact O-CA 3.43Å; Q114-S118 WeakPolarHBondContact O-CB 3.21Å; Q114-S118 PolarHBondContact O-N 3.01Å; Q114-S118 PolarHBondContact O-OG 3.13Å; V115-S118 VanDerWaalsContact CA-OG 3.31Å; V115-S118 WeakPolarHBondContact CA-OG 3.4Å; V115-S118 PolarHBondContact O-OG 3.5Å; S118-M120 PolarHBondContact O-N 3.11Å; S118-E121 CarbonylContact O-C 3.56Å; S118-E121 PolarHBondContact O-N 3.43Å; S118-E122 VanDerWaalsContact O-CA 3.25Å; S118-E122 WeakPolarHBondContact O-CA 3.35Å; S118-E122 WeakPolarHBondContact O-CB 3.47Å; S118-E122 PolarHBondContact O-N 3.23Å
119S56.4Low58.6Low40 Ų40114.1 Ų114.128%0.2858%0.581SS.*Hα-helixtrans-58.9-10.4175.880.50000115.6V115 D116 T123V115-S119 WeakPolarHBondContact O-CA 3.18Å; V115-S119 WeakPolarHBondContact O-CB 3.16Å; V115-S119 PolarHBondContact O-N 2.79Å; V115-S119 PolarHBondContact O-OG 3.43Å; D116-S119 VanDerWaalsContact CA-OG 3.32Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 CarbonylContact O-C 3.32Å; D116-S119 PolarHBondContact O-N 3.03Å; D116-S119 PolarHBondContact O-OG 2.8Å; S119-T123 VanDerWaalsContact O-CA 3.31Å; S119-T123 WeakPolarHBondContact O-CA 3.37Å; S119-T123 WeakPolarHBondContact O-CB 2.99Å; S119-T123 WeakPolarHBondContact O-CG2 2.93Å; S119-T123 PolarHBondContact O-N 2.56Å; S119-T123 PolarHBondContact O-OG1 2.87Å
120M50.7Low58.2Low140 Ų140108.7 Ų108.769%0.6957%0.566SS**Hα-helixtrans-89.6-34.9168.8-65.5-126.981.200112.4D116 E117 S118 T123D116-M120 WeakPolarHBondContact O-CB 3.17Å; D116-M120 WeakPolarHBondContact O-CG 3.29Å; D116-M120 PolarHBondContact O-N 3.36Å; E117-M120 PolarHBondContact O-N 3.45Å; S118-M120 PolarHBondContact O-N 3.11Å; M120-T123 VanDerWaalsContact CA-OG1 3.32Å; M120-T123 WeakPolarHBondContact CA-OG1 3.42Å; M120-T123 PolarHBondContact O-OG1 3.23Å
121E53.1Low57.6Low167 Ų167110.7 Ų110.778%0.7857%0.568SS**Hα-helixtrans-81.7-25.2172-67.7-165.5156.400112.8E117 S118E117-E121 PolarHBondContact O-N 2.71Å; S118-E121 CarbonylContact O-C 3.56Å; S118-E121 PolarHBondContact O-N 3.43Å
122E47.7Very low57.2Low93 Ų93104.7 Ų104.744%0.43555%0.548SS..THydrogen-bonded Turntrans-101-20.9-177.7-119.6-162.5-147.100107.1S118 A124 G125 T126 R127S118-E122 VanDerWaalsContact O-CA 3.25Å; S118-E122 WeakPolarHBondContact O-CA 3.35Å; S118-E122 WeakPolarHBondContact O-CB 3.47Å; S118-E122 PolarHBondContact O-N 3.23Å; E122-A124 PolarHBondContact O-N 3.38Å; E122-G125 CarbonylContact O-C 2.84Å; E122-G125 WeakPolarHBondContact O-CA 3.34Å; E122-G125 PolarHBondContact O-N 3.44Å; E122-T126 WeakPolarHBondContact CA-OG1 2.99Å; E122-T126 HydrophobicContact CB-CG2 4.39Å; E122-T126 WeakPolarHBondContact CB-OG1 3.33Å; E122-T126 HydrophobicContact CG-CG2 3.5Å; E122-T126 WeakPolarHBondContact CG-OG1 3.44Å; E122-T126 CarbonylContact O-C 3.51Å; E122-T126 WeakPolarHBondContact O-CA 3.45Å; E122-T126 PolarHBondContact O-N 2.58Å; E122-T126 PolarHBondContact O-OG1 3.18Å; E122-T126 WeakPolarHBondContact OE2-CB 3.27Å; E122-T126 WeakPolarHBondContact OE2-CG2 3.23Å; E122-T126 PolarHBondContact OE2-OG1 3.49Å; E122-R127 PolarHBondContact O-N 2.77Å
123T43.2Very low57.2Low78 Ų78106.2 Ų106.248%0.47955%0.552SS.*THydrogen-bonded Turntrans-64.5-12.5159.942.10000113.3S119 M120S119-T123 VanDerWaalsContact O-CA 3.31Å; S119-T123 WeakPolarHBondContact O-CA 3.37Å; S119-T123 WeakPolarHBondContact O-CB 2.99Å; S119-T123 WeakPolarHBondContact O-CG2 2.93Å; S119-T123 PolarHBondContact O-N 2.56Å; S119-T123 PolarHBondContact O-OG1 2.87Å; M120-T123 VanDerWaalsContact CA-OG1 3.32Å; M120-T123 WeakPolarHBondContact CA-OG1 3.42Å; M120-T123 PolarHBondContact O-OG1 3.23Å
124A44.5Very low57.1Low95 Ų95105 Ų10579%0.78555%0.545SS*.THydrogen-bonded Turntrans-90.4-14.816400000114.4E122E122-A124 PolarHBondContact O-N 3.38Å
125G48.7Very low57.3Low66 Ų66102 Ų10268%0.6854%0.537SS*.THydrogen-bonded Turntrans-136.3-29.5-172.800000118.2E122E122-G125 CarbonylContact O-C 2.84Å; E122-G125 WeakPolarHBondContact O-CA 3.34Å; E122-G125 PolarHBondContact O-N 3.44Å
126T49.9Very low57.7Low57 Ų57100 Ų10035%0.3552%0.524SS..  trans-117.779.8158.960.20000110.6E122 L128E122-T126 WeakPolarHBondContact CA-OG1 2.99Å; E122-T126 HydrophobicContact CB-CG2 4.39Å; E122-T126 WeakPolarHBondContact CB-OG1 3.33Å; E122-T126 HydrophobicContact CG-CG2 3.5Å; E122-T126 WeakPolarHBondContact CG-OG1 3.44Å; E122-T126 CarbonylContact O-C 3.51Å; E122-T126 WeakPolarHBondContact O-CA 3.45Å; E122-T126 PolarHBondContact O-N 2.58Å; E122-T126 PolarHBondContact O-OG1 3.18Å; E122-T126 WeakPolarHBondContact OE2-CB 3.27Å; E122-T126 WeakPolarHBondContact OE2-CG2 3.23Å; E122-T126 PolarHBondContact OE2-OG1 3.49Å; T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 3.25Å
127R49.1Very low57.9Low208 Ų208102.1 Ų102.179%0.78553%0.531SS*.  trans-58116.8138.9-71.2-179.8-167.6151.45103.4E122 I129E122-R127 PolarHBondContact O-N 2.77Å; R127-I129 PolarHBondContact O-N 3.44Å
128L45.1Very low57.7Low164 Ų16497.8 Ų97.886%0.85951%0.512SS*.  trans-38.4104.7161.5-127.2166.3000103.5T126 D130T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 3.25Å; L128-D130 VanDerWaalsContact C-N 3.25Å; L128-D130 PolarHBondContact O-N 3.05Å
129I55.6Low58Low124 Ų124101.9 Ų101.964%0.63653%0.527SS*.  trans-56.5109.1-179.3-64.8164.9000101R127 W131 K134R127-I129 PolarHBondContact O-N 3.44Å; I129-W131 PolarHBondContact O-N 2.77Å; I129-K134 HydrophobicContact CG2-CB 4.24Å
130D65.5Low58Low71 Ų71100.9 Ų100.938%0.3852%0.523SS..  trans-55.4118.5178.8-166.28000102.5L128 M132 E133 K134L128-D130 VanDerWaalsContact C-N 3.25Å; L128-D130 PolarHBondContact O-N 3.05Å; D130-M132 PolarHBondContact O-N 2.92Å; D130-E133 HydrophobicContact CB-CB 4.23Å; D130-E133 HydrophobicContact CB-CG 4.11Å; D130-E133 WeakPolarHBondContact O-CA 3.43Å; D130-E133 PolarHBondContact O-N 2.95Å; D130-K134 PolarHBondContact O-N 3.03Å
131W62.6Low58.3Low171 Ų17199.4 Ų99.465%0.64851%0.51SS*.THydrogen-bonded Turntrans-58.6-18.1-172.554.8-88.4000109.8I129 Y157I129-W131 PolarHBondContact O-N 2.77Å; W131-Y157 WeakPolarHBondContact O-CD2 3.4Å
132M70.6Confident58.5Low50 Ų5095.3 Ų95.325%0.24651%0.505CS..THydrogen-bonded Turntrans-71.6-24.1169.9-64.7-178.662.200115.6D130 T156 Y157 K158D130-M132 PolarHBondContact O-N 2.92Å; M132-T156 WeakPolarHBondContact O-CG2 3.14Å; M132-Y157 PolarHBondContact O-N 3.03Å; M132-K158 HydrophobicContact CB-CB 4.37Å; M132-K158 HydrophobicContact CE-CB 4.27Å; M132-K158 HydrophobicContact CE-CD 4.48Å; M132-K158 HydrophobicContact CE-CG 4.14Å; M132-K158 PolarHBondContact O-N 3.45Å
133E72Confident59.1Low130 Ų13092.7 Ų92.761%0.60749%0.494SS*.THydrogen-bonded Turntrans-94.8-7.4178.6-74.2-172.9175.500113.9D130 T156D130-E133 HydrophobicContact CB-CB 4.23Å; D130-E133 HydrophobicContact CB-CG 4.11Å; D130-E133 WeakPolarHBondContact O-CA 3.43Å; D130-E133 PolarHBondContact O-N 2.95Å; E133-T156 WeakPolarHBondContact O-CG2 3.46Å
134K72.7Confident59.9Low91 Ų9192.3 Ų92.340%0.39649%0.487SS..SBendtrans-69.7128.5175.1-166.1-178.7176-162.60109.1I129 D130 L136 E137 Y157I129-K134 HydrophobicContact CG2-CB 4.24Å; D130-K134 PolarHBondContact O-N 3.03Å; K134-L136 PolarHBondContact O-N 3.5Å; K134-E137 VanDerWaalsContact CE-OE1 3.29Å; K134-E137 WeakPolarHBondContact CE-OE1 3.44Å; K134-E137 IonicContact NZ-OE1 3.87Å; K134-E137 PolarHBondContact NZ-OE1 3.33Å; K134-Y157 HydrophobicContact CB-CD2 4.4Å; K134-Y157 HydrophobicContact CB-CE2 4.26Å; K134-Y157 WeakPolarHBondContact O-CD2 3.45Å
135P70.7Confident60.7Low67 Ų6790.8 Ų90.844%0.43547%0.465SS..BIsolated β-bridgetrans-58.4138.7172.125.3-33000108.8E137P135-E137 PolarHBondContact O-N 3.04Å
136L69.8Low61.2Low31 Ų3193.9 Ų93.916%0.16246%0.46CS..PPolyproline II helixtrans-67.3121.9172.1-75.3104.1000108K134 T138 P155 T156 Y157 V160K134-L136 PolarHBondContact O-N 3.5Å; L136-T138 HydrophobicContact CB-CG2 4.1Å; L136-T138 PolarHBondContact O-N 2.85Å; L136-P155 WeakPolarHBondContact CD1-O 3.41Å; L136-P155 PolarHBondContact N-O 3.11Å; L136-T156 VanDerWaalsContact CD1-C 3.41Å; L136-Y157 HydrophobicContact CD1-CD1 4.16Å; L136-Y157 HydrophobicContact CD1-CD2 4.44Å; L136-Y157 HydrophobicContact CD1-CG 4.13Å; L136-Y157 HydrophobicContact CD2-CD1 3.94Å; L136-Y157 HydrophobicContact CD2-CE1 3.64Å; L136-Y157 HydrophobicContact CG-CD1 3.92Å; L136-Y157 HydrophobicContact CG-CD2 4.25Å; L136-Y157 HydrophobicContact CG-CE1 3.77Å; L136-Y157 HydrophobicContact CG-CE2 4.09Å; L136-Y157 HydrophobicContact CG-CG 4.16Å; L136-V160 HydrophobicContact CD1-CB 4.47Å; L136-V160 HydrophobicContact CD1-CG2 3.56Å
137E67.7Low61.9Low138 Ų13893.8 Ų93.865%0.64546%0.461SS*.  trans-72.260.2169.5-66.2167.5-148.700108.9K134 P135 E139K134-E137 VanDerWaalsContact CE-OE1 3.29Å; K134-E137 WeakPolarHBondContact CE-OE1 3.44Å; K134-E137 IonicContact NZ-OE1 3.87Å; K134-E137 PolarHBondContact NZ-OE1 3.33Å; P135-E137 PolarHBondContact O-N 3.04Å; E137-E139 PolarHBondContact O-N 3.23Å
138T61.6Low63Low29 Ų2992 Ų9218%0.17847%0.467CS..  trans-76.899.5163.852.10000104.3L136 G140L136-T138 HydrophobicContact CB-CG2 4.1Å; L136-T138 PolarHBondContact O-N 2.85Å; T138-G140 PolarHBondContact O-N 3.4Å
139E61.8Low64.3Low129 Ų12991.2 Ų91.260%0.60346%0.464SS*.  trans-60.256.2179.8-60.6179.4160.900112E137 Y141 H186E137-E139 PolarHBondContact O-N 3.23Å; E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 HydrophobicContact CB-CD2 3.76Å; E139-Y141 HydrophobicContact CB-CE2 3.73Å; E139-Y141 WeakPolarHBondContact O-CD2 3.03Å; E139-Y141 WeakPolarHBondContact O-CE2 3.16Å; E139-Y141 PolarHBondContact O-N 3.5Å; E139-H186 PolarHBondContact O-CD2 3.47Å; E139-H186 PolarHBondContact O-NE2 2.98Å
140G56.4Low65Low20 Ų2087.9 Ų87.921%0.20646%0.461CS..SBendtrans70.66.8-171.100000116.6T138 H186T138-G140 PolarHBondContact O-N 3.4Å; G140-H186 VanDerWaalsContact C-CE1 3.47Å; G140-H186 VanDerWaalsContact CA-NE2 3.26Å; G140-H186 WeakPolarHBondContact CA-NE2 3.15Å; G140-H186 PolarHBondContact O-CE1 2.75Å; G140-H186 PolarHBondContact O-NE2 3.19Å; G140-H186 VanDerWaalsContact O-NE2 3.13Å
141Y57.2Low65.2Low108 Ų10890 Ų9042%0.42447%0.472SS..SBendtrans-85.1-17.8-162-77.5-75.7000118.2E139 H186 L187 P188E139-Y141 VanDerWaalsContact C-N 3.33Å; E139-Y141 HydrophobicContact CB-CD2 3.76Å; E139-Y141 HydrophobicContact CB-CE2 3.73Å; E139-Y141 WeakPolarHBondContact O-CD2 3.03Å; E139-Y141 WeakPolarHBondContact O-CE2 3.16Å; E139-Y141 PolarHBondContact O-N 3.5Å; Y141-H186 AromaticContact CD1-NE2 3.92Å; Y141-H186 AromaticContact CD2-NE2 3.99Å; Y141-H186 AromaticContact CE1-NE2 3.98Å; Y141-H186 AromaticContact CE2-CD2 3.84Å; Y141-H186 AromaticContact CG-NE2 3.93Å; Y141-H186 AromaticContact CZ-CD2 3.73Å; Y141-H186 VanDerWaalsContact OH-C 3.29Å; Y141-H186 PolarHBondContact OH-O 2.75Å; Y141-L187 WeakPolarHBondContact OH-CA 3.46Å; Y141-L187 PolarHBondContact OH-N 2.61Å; Y141-P188 VanDerWaalsContact OH-CD 3.23Å; Y141-P188 WeakPolarHBondContact OH-CD 2.95Å
142A55.8Low65.3Low82 Ų8288.8 Ų88.868%0.67847%0.468SS*.SBendtrans-165.4-12.7-176.400000118.8
143L61.6Low65.3Low37 Ų3791.9 Ų91.919%0.19448%0.48CS..  trans-138.5102.8-175.6-85.790.6000111P155 V160 L166L143-P155 HydrophobicContact CB-CG 3.7Å; L143-P155 HydrophobicContact CD2-CG 3.81Å; L143-P155 HydrophobicContact CG-CG 4.44Å; L143-P155 WeakPolarHBondContact O-CD 3.31Å; L143-V160 HydrophobicContact CD2-CG1 4.33Å; L143-V160 HydrophobicContact CD2-CG2 3.74Å; L143-L166 HydrophobicContact CD2-CB 3.76Å; L143-L166 HydrophobicContact CD2-CD2 4.11Å; L143-L166 HydrophobicContact CD2-CG 4.33Å
144E60.1Low65.3Low71 Ų7189.5 Ų89.533%0.33247%0.469SS..  trans-122124.6172.2-65.9-178.5173.600108.6Y184E144-Y184 WeakPolarHBondContact OE1-CE2 3.2Å; E144-Y184 PolarHBondContact OE1-OH 2.87Å; E144-Y184 PolarHBondContact OE2-OH 2.53Å
145I61.2Low65.4Low62 Ų6285.2 Ų85.232%0.31845%0.451SS..EExtended strand (participates in β ladder)trans-102.5127171-42.9175.8000108S147 K153 P155 L166I145-S147 PolarHBondContact O-N 2.88Å; I145-K153 PolarHBondContact N-O 2.9Å; I145-P155 HydrophobicContact CD1-CB 3.69Å; I145-P155 HydrophobicContact CD1-CG 4.41Å; I145-P155 HydrophobicContact CG1-CB 4.19Å; I145-P155 HydrophobicContact CG1-CG 4.41Å; I145-L166 HydrophobicContact CD1-CD1 3.9Å; I145-L166 HydrophobicContact CG1-CD2 4.42Å
146F59.3Low65.7Low132 Ų13282.9 Ų82.958%0.57944%0.435SS*.EExtended strand (participates in β ladder)trans-76.1115.9169.3-67.7-86.1000109.3Y152F146-Y152 HydrophobicContact CD1-CD1 4.39Å; F146-Y152 HydrophobicContact CD1-CE1 4.03Å; F146-Y152 AromaticContact CE1-CD1 3.99Å; F146-Y152 HydrophobicContact CE1-CD1 3.99Å; F146-Y152 AromaticContact CE1-CE1 3.25Å; F146-Y152 HydrophobicContact CE1-CE1 3.25Å; F146-Y152 AromaticContact CE1-CZ 3.78Å; F146-Y152 AromaticContact CZ-CE1 3.8Å; F146-Y152 HydrophobicContact CZ-CE1 3.8Å
147S63.8Low66.1Low54 Ų5485.7 Ų85.738%0.37844%0.444SS..  trans-64.9153.7167.2-1770000110.1I145 D149 G150 N151I145-S147 PolarHBondContact O-N 2.88Å; S147-D149 PolarHBondContact O-N 2.8Å; S147-G150 PolarHBondContact O-N 3.34Å; S147-N151 WeakPolarHBondContact CB-O 3.35Å; S147-N151 PolarHBondContact N-O 3Å
148N71.4Confident66.7Low171 Ų17183.4 Ų83.491%0.91443%0.432SS*.THydrogen-bonded Turntrans-53.9-22.5173.5-74.9-21.1000113G150N148-G150 VanDerWaalsContact C-N 3.29Å
149D73.1Confident67.5Low147 Ų14785 Ų8579%0.78644%0.437SS*.THydrogen-bonded Turntrans-85.52.4179.3-56.1-26.9000113.2S147 N151S147-D149 PolarHBondContact O-N 2.8Å; D149-N151 PolarHBondContact O-N 3.42Å
150G69.6Low68.3Low55 Ų5579.5 Ų79.557%0.56741%0.413SS*.SBendtrans72.412.1-178.300000114.4S147 N148S147-G150 PolarHBondContact O-N 3.34Å; N148-G150 VanDerWaalsContact C-N 3.29Å
151N70.5Confident69.4Low115 Ų11583.3 Ų83.362%0.61543%0.427SS*.  trans-94.4139.7177.5-15710.5000110.6S147 D149S147-N151 WeakPolarHBondContact CB-O 3.35Å; S147-N151 PolarHBondContact N-O 3Å; D149-N151 PolarHBondContact O-N 3.42Å
152Y63.5Low70.5Confident145 Ų14584.1 Ų84.157%0.56944%0.435SS*.EExtended strand (participates in β ladder)trans-79.5133.4-179.5-61.2-89.4000110.3F146F146-Y152 HydrophobicContact CD1-CD1 4.39Å; F146-Y152 HydrophobicContact CD1-CE1 4.03Å; F146-Y152 AromaticContact CE1-CD1 3.99Å; F146-Y152 HydrophobicContact CE1-CD1 3.99Å; F146-Y152 AromaticContact CE1-CE1 3.25Å; F146-Y152 HydrophobicContact CE1-CE1 3.25Å; F146-Y152 AromaticContact CE1-CZ 3.78Å; F146-Y152 AromaticContact CZ-CE1 3.8Å; F146-Y152 HydrophobicContact CZ-CE1 3.8Å
153K70.6Confident71.4Confident116 Ų11684.4 Ų84.450%0.50443%0.425SS..EExtended strand (participates in β ladder)trans-140.7128.9174.9-167.7-167167.3-1490109.5I145 E159I145-K153 PolarHBondContact N-O 2.9Å; K153-E159 IonicContact NZ-OE1 2.77Å; K153-E159 PolarHBondContact NZ-OE1 3.09Å; K153-E159 IonicContact NZ-OE2 3.25Å
154E72.4Confident72Confident80 Ų8088.9 Ų88.937%0.37445%0.449SS..PPolyproline II helixtrans-65.1133.5168.5-70.7172.6173.200109.1
155P74.6Confident72.5Confident1 Ų193.3 Ų93.31%0.00646%0.464CS..PPolyproline II helixtrans-66.7157.6177.723.4-27.8000111.8L136 L143 I145 E159 V160 L166L136-P155 WeakPolarHBondContact CD1-O 3.41Å; L136-P155 PolarHBondContact N-O 3.11Å; L143-P155 HydrophobicContact CB-CG 3.7Å; L143-P155 HydrophobicContact CD2-CG 3.81Å; L143-P155 HydrophobicContact CG-CG 4.44Å; L143-P155 WeakPolarHBondContact O-CD 3.31Å; I145-P155 HydrophobicContact CD1-CB 3.69Å; I145-P155 HydrophobicContact CD1-CG 4.41Å; I145-P155 HydrophobicContact CG1-CB 4.19Å; I145-P155 HydrophobicContact CG1-CG 4.41Å; P155-E159 WeakPolarHBondContact CA-OE2 3.5Å; P155-E159 HydrophobicContact CB-CB 4.42Å; P155-V160 HydrophobicContact CB-CG2 3.85Å; P155-V160 HydrophobicContact CG-CG2 3.99Å; P155-L166 HydrophobicContact CB-CD1 4.34Å
156T78.3Confident72.9Confident17 Ų1792.2 Ų92.210%0.10446%0.459CS..BIsolated β-bridgetrans-93.7152.2177.1-39.80000109.4M132 E133 L136 K158 E159 V160M132-T156 WeakPolarHBondContact O-CG2 3.14Å; E133-T156 WeakPolarHBondContact O-CG2 3.46Å; L136-T156 VanDerWaalsContact CD1-C 3.41Å; T156-K158 PolarHBondContact O-N 2.71Å; T156-K158 VanDerWaalsContact O-N 3.09Å; T156-E159 WeakPolarHBondContact CB-OE2 3.31Å; T156-E159 PolarHBondContact N-OE2 2.93Å; T156-E159 WeakPolarHBondContact O-CB 3.13Å; T156-E159 PolarHBondContact O-N 2.89Å; T156-E159 PolarHBondContact OG1-OE2 3.28Å; T156-V160 PolarHBondContact O-N 3.26Å
157Y77Confident73.4Confident91 Ų9191 Ų9136%0.35746%0.458SS..Hα-helixtrans-52.1-37.7178.3-72.1-81.8000112.8W131 M132 K134 L136 V160 I161W131-Y157 WeakPolarHBondContact O-CD2 3.4Å; M132-Y157 PolarHBondContact O-N 3.03Å; K134-Y157 HydrophobicContact CB-CD2 4.4Å; K134-Y157 HydrophobicContact CB-CE2 4.26Å; K134-Y157 WeakPolarHBondContact O-CD2 3.45Å; L136-Y157 HydrophobicContact CD1-CD1 4.16Å; L136-Y157 HydrophobicContact CD1-CD2 4.44Å; L136-Y157 HydrophobicContact CD1-CG 4.13Å; L136-Y157 HydrophobicContact CD2-CD1 3.94Å; L136-Y157 HydrophobicContact CD2-CE1 3.64Å; L136-Y157 HydrophobicContact CG-CD1 3.92Å; L136-Y157 HydrophobicContact CG-CD2 4.25Å; L136-Y157 HydrophobicContact CG-CE1 3.77Å; L136-Y157 HydrophobicContact CG-CE2 4.09Å; L136-Y157 HydrophobicContact CG-CG 4.16Å; Y157-V160 PolarHBondContact O-N 3.35Å; Y157-I161 WeakPolarHBondContact O-CD1 3.16Å; Y157-I161 WeakPolarHBondContact O-CG1 3.09Å; Y157-I161 PolarHBondContact O-N 3.48Å; Y157-I161 VanDerWaalsContact O-N 3.11Å
158K81Confident73.4Confident90 Ų9091.4 Ų91.439%0.39146%0.46SS..Hα-helixtrans-62.2-44.4174.4-173.3174.6177.1-177.70113.3M132 T156 I161 E162M132-K158 HydrophobicContact CB-CB 4.37Å; M132-K158 HydrophobicContact CE-CB 4.27Å; M132-K158 HydrophobicContact CE-CD 4.48Å; M132-K158 HydrophobicContact CE-CG 4.14Å; M132-K158 PolarHBondContact O-N 3.45Å; T156-K158 PolarHBondContact O-N 2.71Å; T156-K158 VanDerWaalsContact O-N 3.09Å; K158-I161 PolarHBondContact O-N 2.97Å; K158-E162 WeakPolarHBondContact CE-OE1 2.88Å; K158-E162 WeakPolarHBondContact CG-OE1 3.39Å; K158-E162 WeakPolarHBondContact O-CB 2.84Å; K158-E162 WeakPolarHBondContact O-CG 2.83Å; K158-E162 PolarHBondContact O-N 3.25Å
159E79.1Confident73.1Confident61 Ų6189.4 Ų89.429%0.28545%0.445SS..Hα-helixtrans-64.8-41.7179.6-66166.4163.200110.2K153 P155 T156 I161 E162 D163K153-E159 IonicContact NZ-OE1 2.77Å; K153-E159 PolarHBondContact NZ-OE1 3.09Å; K153-E159 IonicContact NZ-OE2 3.25Å; P155-E159 WeakPolarHBondContact CA-OE2 3.5Å; P155-E159 HydrophobicContact CB-CB 4.42Å; T156-E159 WeakPolarHBondContact CB-OE2 3.31Å; T156-E159 PolarHBondContact N-OE2 2.93Å; T156-E159 WeakPolarHBondContact O-CB 3.13Å; T156-E159 PolarHBondContact O-N 2.89Å; T156-E159 PolarHBondContact OG1-OE2 3.28Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 2.9Å; E159-E162 PolarHBondContact O-N 2.67Å; E159-D163 WeakPolarHBondContact O-CB 3.25Å; E159-D163 PolarHBondContact O-N 3.29Å
160V77.1Confident72.6Confident14 Ų1486.9 Ų86.99%0.08544%0.444CS..Hα-helixtrans-64.5-35.6176.6179.90000112.9L136 L143 P155 T156 Y157 L166 L167L136-V160 HydrophobicContact CD1-CB 4.47Å; L136-V160 HydrophobicContact CD1-CG2 3.56Å; L143-V160 HydrophobicContact CD2-CG1 4.33Å; L143-V160 HydrophobicContact CD2-CG2 3.74Å; P155-V160 HydrophobicContact CB-CG2 3.85Å; P155-V160 HydrophobicContact CG-CG2 3.99Å; T156-V160 PolarHBondContact O-N 3.26Å; Y157-V160 PolarHBondContact O-N 3.35Å; V160-L166 HydrophobicContact CG1-CB 4.24Å; V160-L166 HydrophobicContact CG2-CD1 4.28Å; V160-L167 HydrophobicContact CG1-CD2 3.72Å; V160-L167 HydrophobicContact CG1-CG 4.15Å
161I79.3Confident72.3Confident100 Ų10093 Ų9351%0.51346%0.458SS..Hα-helixtrans-77-31.1179.4-67.6167.3000111.8Y157 K158 E159Y157-I161 WeakPolarHBondContact O-CD1 3.16Å; Y157-I161 WeakPolarHBondContact O-CG1 3.09Å; Y157-I161 PolarHBondContact O-N 3.48Å; Y157-I161 VanDerWaalsContact O-N 3.11Å; K158-I161 PolarHBondContact O-N 2.97Å; E159-I161 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 2.9Å
162E82.2Confident72Confident125 Ų12594.1 Ų94.158%0.58446%0.46SS*.Hα-helixtrans-81.9-32.1-178.9-72.9175-178.600112.5K158 E159K158-E162 WeakPolarHBondContact CE-OE1 2.88Å; K158-E162 WeakPolarHBondContact CG-OE1 3.39Å; K158-E162 WeakPolarHBondContact O-CB 2.84Å; K158-E162 WeakPolarHBondContact O-CG 2.83Å; K158-E162 PolarHBondContact O-N 3.25Å; E159-E162 PolarHBondContact O-N 2.67Å
163D73.8Confident72.1Confident88 Ų8891.5 Ų91.547%0.47145%0.453SS..  trans-10098.8179.2-69.7-28.3000111.3E159 Y165 L166E159-D163 WeakPolarHBondContact O-CB 3.25Å; E159-D163 PolarHBondContact O-N 3.29Å; D163-Y165 PolarHBondContact O-N 2.72Å; D163-L166 HydrophobicContact CB-CD1 3.91Å; D163-L166 HydrophobicContact CB-CG 3.96Å; D163-L166 WeakPolarHBondContact O-CB 3.14Å; D163-L166 PolarHBondContact O-N 3.01Å
164D74Confident71.8Confident131 Ų13193.5 Ų93.570%0.70146%0.464SS*.G310 helixtrans-49.8-29.1176.6-80-13000113.2L166 L167D164-L166 VanDerWaalsContact C-N 3.27Å; D164-L166 PolarHBondContact O-N 2.75Å; D164-L167 PolarHBondContact O-N 2.6Å
165Y70Confident71.6Confident164 Ų16494.2 Ų94.264%0.64347%0.47SS*.G310 helixtrans-66.2-27.2-180-141.3-86.6000113.1D163 L167 E173D163-Y165 PolarHBondContact O-N 2.72Å; Y165-L167 VanDerWaalsContact C-N 3.29Å; Y165-E173 WeakPolarHBondContact CE1-OE1 2.85Å; Y165-E173 VanDerWaalsContact CZ-OE1 3.23Å; Y165-E173 PolarHBondContact OH-OE1 3.36Å
166L70.3Confident71.4Confident39 Ų39101.4 Ų101.420%0.20450%0.498CS..G310 helixtrans-81.6-9.8178.9-63.9-178.9000112.8L143 I145 P155 V160 D163 D164L143-L166 HydrophobicContact CD2-CB 3.76Å; L143-L166 HydrophobicContact CD2-CD2 4.11Å; L143-L166 HydrophobicContact CD2-CG 4.33Å; I145-L166 HydrophobicContact CD1-CD1 3.9Å; I145-L166 HydrophobicContact CG1-CD2 4.42Å; P155-L166 HydrophobicContact CB-CD1 4.34Å; V160-L166 HydrophobicContact CG1-CB 4.24Å; V160-L166 HydrophobicContact CG2-CD1 4.28Å; D163-L166 HydrophobicContact CB-CD1 3.91Å; D163-L166 HydrophobicContact CB-CG 3.96Å; D163-L166 WeakPolarHBondContact O-CB 3.14Å; D163-L166 PolarHBondContact O-N 3.01Å; D164-L166 VanDerWaalsContact C-N 3.27Å; D164-L166 PolarHBondContact O-N 2.75Å
167L69.6Low71.3Confident107 Ų107109.3 Ų109.356%0.5654%0.539SS*.G310 helixtrans-100.1-3177.6-69.7170.8000113.2V160 D164 Y165V160-L167 HydrophobicContact CG1-CD2 3.72Å; V160-L167 HydrophobicContact CG1-CG 4.15Å; D164-L167 PolarHBondContact O-N 2.6Å; Y165-L167 VanDerWaalsContact C-N 3.29Å
168C64.3Low71.4Confident62 Ų62111.1 Ų111.142%0.41956%0.555SS.*  trans-71.8130.1179.5-67.60000111.1
169E64.7Low71Confident130 Ų130110.2 Ų110.261%0.60756%0.555SS**  trans-72.4144.4167.4-62.4-142.9169.400109.4E171 Q172E169-E171 PolarHBondContact O-N 2.67Å; E169-Q172 HydrophobicContact CB-CG 4.39Å; E169-Q172 WeakPolarHBondContact O-CB 3.43Å; E169-Q172 PolarHBondContact O-N 3.38Å
170A63.1Low70.4Confident93 Ų93116.5 Ų116.577%0.76958%0.581SS**THydrogen-bonded Turntrans-55.1-19.9-178.700000113.8Q172A170-Q172 VanDerWaalsContact C-N 3.32Å
171E63.7Low69.4Low185 Ų185122.2 Ų122.286%0.86461%0.605SS**THydrogen-bonded Turntrans-79-11.5176-58.4-172.1175.100113.9E169E169-E171 PolarHBondContact O-N 2.67Å
172Q64.3Low68.5Low138 Ų138122.2 Ų122.265%0.64561%0.609SS**SBendtrans-102.3-8.3-175.8-62.1170.3-13.300113.2E169 A170E169-Q172 HydrophobicContact CB-CG 4.39Å; E169-Q172 WeakPolarHBondContact O-CB 3.43Å; E169-Q172 PolarHBondContact O-N 3.38Å; A170-Q172 VanDerWaalsContact C-N 3.32Å
173E63.7Low67.1Low89 Ų89124.7 Ų124.742%0.41662%0.619SS.*SBendtrans-85.5121-179.9-134.8-179.1173.500110.8Y165 L175Y165-E173 WeakPolarHBondContact CE1-OE1 2.85Å; Y165-E173 VanDerWaalsContact CZ-OE1 3.23Å; Y165-E173 PolarHBondContact OH-OE1 3.36Å; E173-L175 PolarHBondContact O-N 2.81Å
174E66.3Low65.9Low159 Ų159125.6 Ų125.674%0.74362%0.616SS**  trans-71.597.9170-73.2-172.7169.200108.8Y176E174-Y176 WeakPolarHBondContact O-CD2 3.32Å; E174-Y176 WeakPolarHBondContact O-CE2 3.32Å; E174-Y176 PolarHBondContact O-N 3.49Å
175L67.1Low65Low95 Ų95128.9 Ų128.950%0.49763%0.627SS.*  trans-65.5126.5-179.8-156.884000111.5E173 D179 F181E173-L175 PolarHBondContact O-N 2.81Å; L175-D179 WeakPolarHBondContact CA-OD2 2.93Å; L175-D179 HydrophobicContact CD1-CB 3.6Å; L175-D179 HydrophobicContact CG-CB 3.84Å; L175-F181 HydrophobicContact CD1-CE1 4.1Å; L175-F181 HydrophobicContact CD1-CE2 3.88Å; L175-F181 HydrophobicContact CD1-CZ 3.43Å; L175-F181 VanDerWaalsContact CD1-CZ 3.43Å; L175-F181 HydrophobicContact CD2-CE2 3.46Å; L175-F181 VanDerWaalsContact CD2-CE2 3.46Å; L175-F181 HydrophobicContact CD2-CZ 3.68Å; L175-F181 HydrophobicContact CG-CE2 4.33Å; L175-F181 HydrophobicContact CG-CZ 4.2Å
176Y70.1Confident64.3Low151 Ų151124.2 Ų124.259%0.59261%0.611SS**  trans-91.1159.4171.8-66.6-85.4000111.1E174 D178 D179E174-Y176 WeakPolarHBondContact O-CD2 3.32Å; E174-Y176 WeakPolarHBondContact O-CE2 3.32Å; E174-Y176 PolarHBondContact O-N 3.49Å; Y176-D178 VanDerWaalsContact CB-OD1 3.31Å; Y176-D178 WeakPolarHBondContact CB-OD1 2.98Å; Y176-D178 PolarHBondContact O-N 2.82Å; Y176-D179 PolarHBondContact N-OD2 3.37Å; Y176-D179 PolarHBondContact O-N 2.98Å; Y176-D179 VanDerWaalsContact O-N 3.11Å
177D76.8Confident63.7Low183 Ų183129.4 Ų129.498%0.97964%0.638SS**THydrogen-bonded Turntrans-60.4-15.2-175.6-76.5-25.3000114.1
178D80Confident63.2Low130 Ų130128.4 Ų128.470%0.69564%0.639SS**THydrogen-bonded Turntrans-97.8-4.9179.656.1-34.4000115.1Y176Y176-D178 VanDerWaalsContact CB-OD1 3.31Å; Y176-D178 WeakPolarHBondContact CB-OD1 2.98Å; Y176-D178 PolarHBondContact O-N 2.82Å
179D71.7Confident63.2Low71 Ų71133.9 Ų133.938%0.3866%0.658SS.*  trans-71.6132.8-178.9-64.9-29.5000112L175 Y176L175-D179 WeakPolarHBondContact CA-OD2 2.93Å; L175-D179 HydrophobicContact CD1-CB 3.6Å; L175-D179 HydrophobicContact CG-CB 3.84Å; Y176-D179 PolarHBondContact N-OD2 3.37Å; Y176-D179 PolarHBondContact O-N 2.98Å; Y176-D179 VanDerWaalsContact O-N 3.11Å
180K67.2Low63.1Low193 Ų193133.4 Ų133.484%0.83967%0.666SS**  trans-111.9113.3177.8-66.6-178.4-175.3-179.20110V182K180-V182 PolarHBondContact O-N 3.11Å
181F56.1Low62.9Low133 Ų133138.1 Ų138.158%0.58367%0.672SS**  trans-67.9126.5168.4-65.9-80.2000110.8L175 F183L175-F181 HydrophobicContact CD1-CE1 4.1Å; L175-F181 HydrophobicContact CD1-CE2 3.88Å; L175-F181 HydrophobicContact CD1-CZ 3.43Å; L175-F181 VanDerWaalsContact CD1-CZ 3.43Å; L175-F181 HydrophobicContact CD2-CE2 3.46Å; L175-F181 VanDerWaalsContact CD2-CE2 3.46Å; L175-F181 HydrophobicContact CD2-CZ 3.68Å; L175-F181 HydrophobicContact CG-CE2 4.33Å; L175-F181 HydrophobicContact CG-CZ 4.2Å; F181-F183 HydrophobicContact CB-CD2 4.23Å; F181-F183 HydrophobicContact CB-CE2 3.69Å; F181-F183 HydrophobicContact CB-CZ 3.99Å; F181-F183 HydrophobicContact CG-CE2 4.42Å; F181-F183 HydrophobicContact CG-CZ 4.31Å
182V59.7Low63.3Low100 Ų100135.7 Ų135.761%0.60667%0.67SS**  trans-101.9103.9164.2-176.90000106.9K180 Y184K180-V182 PolarHBondContact O-N 3.11Å; V182-Y184 HydrophobicContact CG1-CD1 4.14Å; V182-Y184 HydrophobicContact CG1-CD2 4.37Å; V182-Y184 HydrophobicContact CG1-CE1 3.72Å; V182-Y184 HydrophobicContact CG1-CE2 3.99Å; V182-Y184 HydrophobicContact CG1-CG 4.43Å
183F51.9Low63.7Low177 Ų177136.2 Ų136.278%0.77668%0.676SS**  trans-82.1121.7170.9-63.6-81.7000108.4F181F181-F183 HydrophobicContact CB-CD2 4.23Å; F181-F183 HydrophobicContact CB-CE2 3.69Å; F181-F183 HydrophobicContact CB-CZ 3.99Å; F181-F183 HydrophobicContact CG-CE2 4.42Å; F181-F183 HydrophobicContact CG-CZ 4.31Å
184Y49.9Very low63.9Low108 Ų108137.2 Ų137.242%0.42469%0.69SS.*  trans-97.9133.1172.6-64.3-71.3000111.1E144 V182 H186E144-Y184 WeakPolarHBondContact OE1-CE2 3.2Å; E144-Y184 PolarHBondContact OE1-OH 2.87Å; E144-Y184 PolarHBondContact OE2-OH 2.53Å; V182-Y184 HydrophobicContact CG1-CD1 4.14Å; V182-Y184 HydrophobicContact CG1-CD2 4.37Å; V182-Y184 HydrophobicContact CG1-CE1 3.72Å; V182-Y184 HydrophobicContact CG1-CE2 3.99Å; V182-Y184 HydrophobicContact CG1-CG 4.43Å; Y184-H186 WeakPolarHBondContact CB-CE1 3.22Å; Y184-H186 WeakPolarHBondContact CB-ND1 3.38Å; Y184-H186 AromaticContact CG-CE1 3.9Å
185E54.7Low64.2Low200 Ų200138.7 Ų138.794%0.93570%0.697SS**  trans-100.237.5-172.8-68.7-170.1153.200114.5
186H54.4Low64.5Low65 Ų65140.3 Ų140.330%0.30171%0.71SS.*  trans-107.752.6-16853.8-89.5000115.3E139 G140 Y141 Y184 P188E139-H186 PolarHBondContact O-CD2 3.47Å; E139-H186 PolarHBondContact O-NE2 2.98Å; G140-H186 VanDerWaalsContact C-CE1 3.47Å; G140-H186 VanDerWaalsContact CA-NE2 3.26Å; G140-H186 WeakPolarHBondContact CA-NE2 3.15Å; G140-H186 PolarHBondContact O-CE1 2.75Å; G140-H186 PolarHBondContact O-NE2 3.19Å; G140-H186 VanDerWaalsContact O-NE2 3.13Å; Y141-H186 AromaticContact CD1-NE2 3.92Å; Y141-H186 AromaticContact CD2-NE2 3.99Å; Y141-H186 AromaticContact CE1-NE2 3.98Å; Y141-H186 AromaticContact CE2-CD2 3.84Å; Y141-H186 AromaticContact CG-NE2 3.93Å; Y141-H186 AromaticContact CZ-CD2 3.73Å; Y141-H186 VanDerWaalsContact OH-C 3.29Å; Y141-H186 PolarHBondContact OH-O 2.75Å; Y184-H186 WeakPolarHBondContact CB-CE1 3.22Å; Y184-H186 WeakPolarHBondContact CB-ND1 3.38Å; Y184-H186 AromaticContact CG-CE1 3.9Å; H186-P188 VanDerWaalsContact O-CD 3.31Å; H186-P188 WeakPolarHBondContact O-CD 3.27Å
187L57.7Low64.3Low148 Ų148141.5 Ų141.578%0.77572%0.722SS**PPolyproline II helixtrans-59.5117.5158.5-88153.6000109.5Y141 Q189Y141-L187 WeakPolarHBondContact OH-CA 3.46Å; Y141-L187 PolarHBondContact OH-N 2.61Å; L187-Q189 PolarHBondContact O-N 2.91Å; L187-Q189 VanDerWaalsContact O-N 3.11Å
188P60Low63.9Low87 Ų87139.8 Ų139.857%0.56571%0.712SS**PPolyproline II helixtrans-62.8120.2178.424.4-31.7000108.4Y141 H186Y141-P188 VanDerWaalsContact OH-CD 3.23Å; Y141-P188 WeakPolarHBondContact OH-CD 2.95Å; H186-P188 VanDerWaalsContact O-CD 3.31Å; H186-P188 WeakPolarHBondContact O-CD 3.27Å
189Q64.8Low63.2Low177 Ų177141 Ų14183%0.82772%0.717SS**PPolyproline II helixtrans-59.1137.8171.6-66-175.25.700108.6L187 Q191L187-Q189 PolarHBondContact O-N 2.91Å; L187-Q189 VanDerWaalsContact O-N 3.11Å; Q189-Q191 PolarHBondContact O-N 2.83Å
190P61.4Low62.9Low120 Ų120143.5 Ų143.578%0.77974%0.735SS**PPolyproline II helixtrans-56.8126.4-17822.4-32.2000109.9T192P190-T192 PolarHBondContact O-N 3.03Å; P190-T192 VanDerWaalsContact O-N 3.12Å
191Q59.3Low63.1Low192 Ų192138.6 Ų138.690%0.89772%0.722SS**PPolyproline II helixtrans-55.6117.7-177.8-65.7-173.90.200110.6Q189 I193Q189-Q191 PolarHBondContact O-N 2.83Å; Q191-I193 PolarHBondContact O-N 2.93Å
192T71.6Confident64Low134 Ų134141.7 Ų141.782%0.82274%0.735SS**PPolyproline II helixtrans-66.1118.9174.4-540000109.7P190P190-T192 PolarHBondContact O-N 3.03Å; P190-T192 VanDerWaalsContact O-N 3.12Å
193I72.2Confident64.4Low148 Ų148142.6 Ų142.676%0.75974%0.736SS**PPolyproline II helixtrans-62.5126.9174.6-54.9172.6000108.2Q191 E195Q191-I193 PolarHBondContact O-N 2.93Å; I193-E195 PolarHBondContact O-N 2.55Å
194P68.6Low65Low110 Ų110136.2 Ų136.271%0.71472%0.716SS**PPolyproline II helixtrans-63.4137.5176.525.8-32.8000110.6V196P194-V196 PolarHBondContact O-N 2.7Å
195E72.7Confident65.6Low190 Ų190139.7 Ų139.789%0.88873%0.734SS**PPolyproline II helixtrans-59.3131.2177.3-70.6-177171.200110.6I193 E197I193-E195 PolarHBondContact O-N 2.55Å; E195-E197 PolarHBondContact O-N 3.38Å
196V73.3Confident66.2Low129 Ų129138.8 Ų138.878%0.78273%0.726SS**  trans-69.9111.8178179.80000108.9P194 N198P194-V196 PolarHBondContact O-N 2.7Å; V196-N198 PolarHBondContact O-N 2.72Å
197E67.2Low66.7Low177 Ų177142.9 Ų142.983%0.82774%0.744SS**  trans-62.6120170.6-67.6-174.1173.300110E195 I199E195-E197 PolarHBondContact O-N 3.38Å; E197-I199 PolarHBondContact O-N 2.68Å; E197-I199 VanDerWaalsContact O-N 3.1Å
198N66.4Low67Low146 Ų146142.4 Ų142.478%0.78174%0.742SS**  trans-65.2109.3174.8-78.5-29.6000110.1V196 T200V196-N198 PolarHBondContact O-N 2.72Å; N198-T200 PolarHBondContact O-N 3.29Å
199I65.5Low67.2Low155 Ų155145.2 Ų145.280%0.79575%0.752SS**  trans-66.3104.1175.5-53.8169.8000108.9E197 T201E197-I199 PolarHBondContact O-N 2.68Å; E197-I199 VanDerWaalsContact O-N 3.1Å; I199-T201 PolarHBondContact O-N 3.47Å
200T66.9Low67.4Low125 Ų125144.7 Ų144.777%0.76775%0.753SS**  trans-87.396.6174.962.80000110.8N198N198-T200 PolarHBondContact O-N 3.29Å
201T71.7Confident67.1Low90 Ų90151.5 Ų151.555%0.55277%0.77SS**  trans-78.2155.2166.38.40000110.8I199 D203 A204I199-T201 PolarHBondContact O-N 3.47Å; T201-D203 PolarHBondContact O-N 2.52Å; T201-A204 VanDerWaalsContact O-CB 3.3Å; T201-A204 WeakPolarHBondContact O-CB 3.32Å; T201-A204 PolarHBondContact O-N 2.77Å
202K73.9Confident67.5Low198 Ų198149.5 Ų149.586%0.86176%0.764SS**THydrogen-bonded Turntrans-54.7-29.3178.9-68.2-177.9-178.3176.10112.9
203D67.6Low67.3Low118 Ų118150.3 Ų150.363%0.63176%0.761SS**THydrogen-bonded Turntrans-75.7-25.1178.2-62.6-30.9000113.2T201 K205 K206 F207T201-D203 PolarHBondContact O-N 2.52Å; D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 2.75Å; D203-K206 WeakPolarHBondContact O-CB 3.28Å; D203-K206 PolarHBondContact O-N 3.27Å; D203-F207 VanDerWaalsContact O-CD2 3.26Å; D203-F207 WeakPolarHBondContact O-CD2 3.26Å
204A64.8Low67Low44 Ų44150.4 Ų150.436%0.36476%0.761SS.*G310 helixtrans-63.8-32.5-179.800000112.2T201 K206 F207T201-A204 VanDerWaalsContact O-CB 3.3Å; T201-A204 WeakPolarHBondContact O-CB 3.32Å; T201-A204 PolarHBondContact O-N 2.77Å; A204-K206 PolarHBondContact O-N 2.75Å; A204-K206 VanDerWaalsContact O-N 3.14Å; A204-F207 PolarHBondContact O-N 2.78Å
205K62.9Low66.9Low181 Ų181152.8 Ų152.879%0.78776%0.764SS**G310 helixtrans-64.4-14.5174.7-85.8-175.6175.3179.70114.4D203 F207D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 2.75Å; K205-F207 VanDerWaalsContact C-N 3.35Å
206K67.9Low66.6Low180 Ų180150.4 Ų150.478%0.78376%0.756SS**G310 helixtrans-84.8-12179.5-164.4170.4178.6-179.60112.7D203 A204D203-K206 WeakPolarHBondContact O-CB 3.28Å; D203-K206 PolarHBondContact O-N 3.27Å; A204-K206 PolarHBondContact O-N 2.75Å; A204-K206 VanDerWaalsContact O-N 3.14Å
207F63.5Low66.1Low151 Ų151151.9 Ų151.966%0.66275%0.754SS**  trans-11222.3-172.4-63.1-76.4000114.3D203 A204 K205 L209D203-F207 VanDerWaalsContact O-CD2 3.26Å; D203-F207 WeakPolarHBondContact O-CD2 3.26Å; A204-F207 PolarHBondContact O-N 2.78Å; K205-F207 VanDerWaalsContact C-N 3.35Å; F207-L209 PolarHBondContact O-N 2.97Å
208D65.8Low66Low139 Ų139150.1 Ų150.174%0.74375%0.749SS**  trans-66.187.3169-76.2-13.5000109.6I210D208-I210 PolarHBondContact O-N 3.24Å
209L62.8Low66Low146 Ų146150.4 Ų150.476%0.76475%0.747SS**  trans-70.4108.3166.5-82.2151.8000107.6F207 F211F207-L209 PolarHBondContact O-N 2.97Å; L209-F211 PolarHBondContact O-N 3.19Å
210I69.1Low66.1Low166 Ų166150 Ų15085%0.85174%0.743SS**  trans-74.9116165.7-56.3172.8000106.5D208D208-I210 PolarHBondContact O-N 3.24Å
211F56Low66Low262 Ų262152.3 Ų152.3100%1.14974%0.741SS**  trans-74.70166.1-72.7-79.2000111.1L209L209-F211 PolarHBondContact O-N 3.19Å

Retrieved 211 of 211 residues in 75.3 ms (Link to these results)