A0A087XKU9_POEFO Loading...

Podocin

Plays a role in the regulation of glomerular permeability, acting probably as a linker between the plasma membrane and the cytoskeleton.

AlphaFold DB , UniProt , Accession A0A087XKU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 413 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
1G34.4Very low35.6Very low123 Ų123166.5 Ų166.5100%1.26891%0.91SS**  0107.2000000107.5
2M37.4Very low35.2Very low197 Ų197168.5 Ų168.597%0.9791%0.908SS**  79.48598.7-85.3-178.3160.400112.5
3F37.2Very low34.8Very low214 Ų214173.8 Ų173.894%0.93991%0.907SS**  trans-80.1115.8154.4-86.3-89.7000108.1
4G38.9Very low34.4Very low77 Ų77172.9 Ų172.979%0.79490%0.904SS**  trans-96.2110.3167.500000109.9
5R37.3Very low34.1Very low223 Ų223169.5 Ų169.584%0.84290%0.9SS**  trans-109.6111.9161.5-86.3-175.8174.5174.8-1.4107.9
6S38Very low33.9Very low126 Ų126166.3 Ų166.388%0.88190%0.896SS**PPolyproline II helixtrans-68.6126.3170.4-52.90000109.3
7Y36.2Very low33.7Very low225 Ų225163.8 Ų163.888%0.88289%0.894SS**PPolyproline II helixtrans-85.1126.3173.1-71.9-92.2000109.4
8Q33.8Very low33.5Very low190 Ų190163.8 Ų163.889%0.88889%0.887SS**PPolyproline II helixtrans-94.9120.1176-168.2159-14.700108.8
9L33.5Very low33.2Very low171 Ų171162.1 Ų162.190%0.89587%0.87SS**PPolyproline II helixtrans-73.2129.5178.7-76.8158.4000110.3
10L34.2Very low33Very low163 Ų163158.6 Ų158.685%0.85386%0.855SS**PPolyproline II helixtrans-77.3143.5173.7-75.9162.3000110.7
11P30.3Very low33.1Very low122 Ų122157.1 Ų157.179%0.79285%0.854SS**PPolyproline II helixtrans-72.6133.2-179.628.1-31.7000111.8
12Q30.9Very low32.7Very low191 Ų191154.1 Ų154.189%0.89382%0.823SS**PPolyproline II helixtrans-67.8124.7177.9-164170.8-13.900109.7
13R29.8Very low32.4Very low237 Ų237153 Ų15389%0.89482%0.82SS**PPolyproline II helixtrans-85.1117-176.9-173.2179.9-177.5115.4-2.4109.6
14D29.7Very low32.1Very low161 Ų161151.9 Ų151.986%0.86182%0.815SS**PPolyproline II helixtrans-66.8128.4171.2-73.4-40.6000110.8
15S30.1Very low31.8Very low122 Ų122155 Ų15585%0.85382%0.819SS**  trans-117.195.4176.458.70000110.3
16S31.5Very low31.2Very low118 Ų118151.8 Ų151.883%0.82582%0.818SS**  trans-102.8109.7163.557.70000109.2
17S29.4Very low31Very low125 Ų125150.8 Ų150.887%0.87481%0.811SS**  trans-153.5143.6158-1620000112.3
18Q29.8Very low30.7Very low163 Ų163148 Ų14876%0.76281%0.806SS**  trans-92.2142.1-160.3-68.5166.6-30.100112.8
19K27.9Very low30.4Very low131 Ų131144.3 Ų144.357%0.5780%0.801SS**  trans-84145.7170.6-89.5178.5167-175.30112.1E212K19-E212 PolarHBondContact NZ-O 3.05Å
20T29.5Very low30.2Very low93 Ų93141.9 Ų141.957%0.57178%0.784SS**  trans-120.2166.1164.8-1.40000108.9R382T20-R382 PolarHBondContact OG1-NH2 3.38Å
21P35.5Very low30.3Very low128 Ų128140.2 Ų140.283%0.83179%0.786SS**  -109.2142.4-110.135.2-21.1000113.1
22G25.8Very low30.3Very low60 Ų60140.3 Ų140.362%0.61978%0.776SS**  trans-159.4105.1170.600000111F24G22-F24 PolarHBondContact O-N 3.27Å
23L31Very low30.7Very low174 Ų174138 Ų13891%0.91178%0.777SS**SBendtrans49.540.2152.6-88.7151.4000117.8
24F31.5Very low30.7Very low189 Ų189128.5 Ų128.583%0.82975%0.753SS**SBendtrans-140.2140.2162.1-74.9-81.7000109.8G22 N26G22-F24 PolarHBondContact O-N 3.27Å; F24-N26 PolarHBondContact O-N 3.17Å
25V31.7Very low31.2Very low144 Ų144132.3 Ų132.387%0.87376%0.757SS**  trans-45.9120.6-178.1170.30000110.7S27V25-S27 PolarHBondContact O-N 3.29Å; V25-S27 VanDerWaalsContact O-N 3.12Å
26N24.5Very low31.3Very low154 Ų154134 Ų13482%0.82475%0.751SS**  trans-62.1107.3179.2-108-10.2000110.4F24 H28F24-N26 PolarHBondContact O-N 3.17Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 3.34Å
27S34.3Very low31.7Very low105 Ų105138.8 Ų138.873%0.73476%0.757SS**  trans-94.943.2172.167.10000112.4V25V25-S27 PolarHBondContact O-N 3.29Å; V25-S27 VanDerWaalsContact O-N 3.12Å
28H29.8Very low32Very low166 Ų166135.2 Ų135.277%0.76974%0.74SS**  trans-14784.4170.3-89.3-77000110.9N26N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 3.34Å
29S28.3Very low32.7Very low114 Ų114134.9 Ų134.980%0.79774%0.742SS**  trans-168.375.7155.3-74.20000109.2
30F28.9Very low33.5Very low120 Ų120132.9 Ų132.953%0.52675%0.745SS.*  trans-161.570152.9-137.3-109.9000111.8Q32F30-Q32 HydrophobicContact CD1-CB 3.71Å; F30-Q32 HydrophobicContact CD1-CG 4.01Å; F30-Q32 HydrophobicContact CD2-CG 3.97Å; F30-Q32 HydrophobicContact CE1-CB 3.37Å; F30-Q32 HydrophobicContact CE1-CG 3.66Å; F30-Q32 HydrophobicContact CE2-CB 4.27Å; F30-Q32 HydrophobicContact CE2-CG 3.58Å; F30-Q32 HydrophobicContact CG-CB 4.35Å; F30-Q32 HydrophobicContact CG-CG 4.2Å; F30-Q32 HydrophobicContact CZ-CB 3.69Å; F30-Q32 HydrophobicContact CZ-CG 3.44Å; F30-Q32 VanDerWaalsContact CZ-CG 3.44Å; F30-Q32 PolarHBondContact O-N 3.11Å
31S35.2Very low34.1Very low128 Ų128137.9 Ų137.990%0.89576%0.759SS**  trans-79.680.8141.357.30000107.2
32Q31.2Very low34.4Very low124 Ų124138.8 Ų138.858%0.57976%0.757SS**  trans-117.1141.8150.5-59.7-167.3-8.700108.9F30 G34F30-Q32 HydrophobicContact CD1-CB 3.71Å; F30-Q32 HydrophobicContact CD1-CG 4.01Å; F30-Q32 HydrophobicContact CD2-CG 3.97Å; F30-Q32 HydrophobicContact CE1-CB 3.37Å; F30-Q32 HydrophobicContact CE1-CG 3.66Å; F30-Q32 HydrophobicContact CE2-CB 4.27Å; F30-Q32 HydrophobicContact CE2-CG 3.58Å; F30-Q32 HydrophobicContact CG-CB 4.35Å; F30-Q32 HydrophobicContact CG-CG 4.2Å; F30-Q32 HydrophobicContact CZ-CB 3.69Å; F30-Q32 HydrophobicContact CZ-CG 3.44Å; F30-Q32 VanDerWaalsContact CZ-CG 3.44Å; F30-Q32 PolarHBondContact O-N 3.11Å; Q32-G34 VanDerWaalsContact C-N 3.34Å; Q32-G34 PolarHBondContact O-N 2.77Å; Q32-G34 VanDerWaalsContact O-N 3.11Å
33P39.9Very low35.5Very low142 Ų142140 Ų14092%0.92274%0.744SS**  trans-75.894.8160.632.2-25.7000106.4
34G29Very low36.4Very low38 Ų38138.9 Ų138.939%0.39274%0.737SS.*  trans-156.4105.5-177.800000109.6Q32 H36Q32-G34 VanDerWaalsContact C-N 3.34Å; Q32-G34 PolarHBondContact O-N 2.77Å; Q32-G34 VanDerWaalsContact O-N 3.11Å; G34-H36 PolarHBondContact O-N 2.83Å
35Y39.5Very low37.4Very low241 Ų241131.6 Ų131.695%0.94571%0.708SS**  trans-44.399.5168.6-82.9-99.1000110.7K37Y35-K37 PolarHBondContact O-N 2.86Å
36H34.3Very low38.2Very low156 Ų156129.3 Ų129.372%0.72269%0.691SS**  trans-88.290.7167.2-106.3-84.4000108.8G34 G38G34-H36 PolarHBondContact O-N 2.83Å; H36-G38 PolarHBondContact O-N 3.47Å
37K38.9Very low39.6Very low219 Ų219122.9 Ų122.995%0.95266%0.657SS**  trans-69.178.8148.2-102.5178.5171.3177.90106.9Y35Y35-K37 PolarHBondContact O-N 2.86Å
38G35.5Very low40.4Very low50 Ų50122.6 Ų122.652%0.51566%0.655SS.*  trans-110.9140.5170.100000109.1H36H36-G38 PolarHBondContact O-N 3.47Å
39L44Very low41.5Very low156 Ų156117.9 Ų117.982%0.81765%0.645SS**  trans-55.1140.3-175.3-68.9149.4000111.7F41L39-F41 PolarHBondContact O-N 3.07Å
40S45.4Very low43Very low89 Ų89116.7 Ų116.762%0.62263%0.629SS**THydrogen-bonded Turntrans-51.5-2.6-174.2-173.70000117.4
41F41.3Very low44.6Very low199 Ų199114.5 Ų114.587%0.87362%0.623SS**THydrogen-bonded Turntrans-89.5-17.3-172.1-85.5-83.7000114.6L39L39-F41 PolarHBondContact O-N 3.07Å
42D42.8Very low45.8Very low146 Ų146110.8 Ų110.878%0.78159%0.591SS**SBendtrans-98.76.8-177-63.6-37.7000113.8I44D42-I44 PolarHBondContact O-N 3.44Å
43Y47.6Very low47.1Very low86 Ų86109.2 Ų109.234%0.33759%0.59SS.*  trans-75.198.8178.9-174.9-97.8000110.8P45 T53 D54Y43-P45 HydrophobicContact CE1-CB 3.78Å; Y43-T53 PolarHBondContact OH-O 3.4Å; Y43-D54 HydrophobicContact CD1-CB 4.42Å; Y43-D54 HydrophobicContact CE1-CB 3.82Å; Y43-D54 WeakPolarHBondContact CE2-OD1 3.36Å
44I51Low48Very low151 Ų151104.6 Ų104.677%0.77456%0.558SS**  trans-89113.5162.6-58.6173.6000106.4D42 N46D42-I44 PolarHBondContact O-N 3.44Å; I44-N46 PolarHBondContact O-N 3.41Å
45P51.3Low49.3Very low35 Ų35107.3 Ų107.323%0.22758%0.576CS.*  trans-57.4132.9179.121.5-30.9000109.9Y43 I47Y43-P45 HydrophobicContact CE1-CB 3.78Å; P45-I47 HydrophobicContact CB-CG1 4.15Å; P45-I47 HydrophobicContact CG-CD1 4.31Å; P45-I47 HydrophobicContact CG-CG1 4.12Å; P45-I47 WeakPolarHBondContact O-CG1 3.05Å; P45-I47 PolarHBondContact O-N 3.27Å
46N50Low50.2Low96 Ų9698.8 Ų98.851%0.51355%0.552SS.*  trans-78.479.2174.3-168.6-9.6000109.6I44 S48 A49I44-N46 PolarHBondContact O-N 3.41Å; N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 VanDerWaalsContact O-N 3.15Å; N46-S48 PolarHBondContact OD1-N 2.67Å; N46-S48 PolarHBondContact OD1-OG 2.96Å; N46-A49 PolarHBondContact O-N 3.21Å
47I53Low51.6Low19 Ų1993.1 Ų93.110%0.09753%0.526CS..G310 helixtrans-68.5-14.3-174.5-52152000111.7P45 A49 N50 V162 M163 V166P45-I47 HydrophobicContact CB-CG1 4.15Å; P45-I47 HydrophobicContact CG-CD1 4.31Å; P45-I47 HydrophobicContact CG-CG1 4.12Å; P45-I47 WeakPolarHBondContact O-CG1 3.05Å; P45-I47 PolarHBondContact O-N 3.27Å; I47-A49 PolarHBondContact O-N 3.02Å; I47-N50 PolarHBondContact O-N 3.45Å; I47-N50 VanDerWaalsContact O-N 3.15Å; I47-V162 HydrophobicContact CG2-CG1 4.12Å; I47-M163 HydrophobicContact CB-CE 4.39Å; I47-M163 HydrophobicContact CB-CG 4.43Å; I47-M163 HydrophobicContact CB-SD 3.35Å; I47-M163 WeakPolarHBondContact CB-SD 3.2Å; I47-M163 HydrophobicContact CD1-SD 3.6Å; I47-M163 VanDerWaalsContact CD1-SD 3.6Å; I47-M163 HydrophobicContact CG1-SD 4.07Å; I47-M163 HydrophobicContact CG2-CG 3.66Å; I47-M163 HydrophobicContact CG2-SD 3.18Å; I47-M163 WeakPolarHBondContact CG2-SD 3.36Å; I47-V166 HydrophobicContact CD1-CB 4.09Å; I47-V166 HydrophobicContact CD1-CG1 3.7Å
48S50.3Low53.4Low99 Ų9985.1 Ų85.169%0.69251%0.506SS*.G310 helixtrans-61.9-25.5179.274.10000113.5N46N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 VanDerWaalsContact O-N 3.15Å; N46-S48 PolarHBondContact OD1-N 2.67Å; N46-S48 PolarHBondContact OD1-OG 2.96Å
49A53.4Low55.5Low68 Ų6892.9 Ų92.956%0.56252%0.52SS*.G310 helixtrans-984.3-18000000114N46 I47 D51N46-A49 PolarHBondContact O-N 3.21Å; I47-A49 PolarHBondContact O-N 3.02Å; A49-D51 HydrophobicContact CB-CB 4.22Å; A49-D51 PolarHBondContact O-N 2.88Å; A49-D51 VanDerWaalsContact O-N 3.12Å
50N60.6Low57.3Low88 Ų8891.1 Ų91.147%0.47152%0.515SS..THydrogen-bonded Turntrans50.727.4-163.8-62.2-56.2000112.4I47 F52I47-N50 PolarHBondContact O-N 3.45Å; I47-N50 VanDerWaalsContact O-N 3.15Å; N50-F52 HydrophobicContact CB-CE2 3.8Å; N50-F52 HydrophobicContact CB-CZ 4.04Å; N50-F52 WeakPolarHBondContact O-CD2 3.49Å; N50-F52 WeakPolarHBondContact O-CE2 3.26Å; N50-F52 PolarHBondContact O-N 2.62Å
51D61.3Low59Low74 Ų7489 Ų8940%0.39650%0.5SS..  trans-83.297.9175.7-168.7-1.9000108.4A49 T53A49-D51 HydrophobicContact CB-CB 4.22Å; A49-D51 PolarHBondContact O-N 2.88Å; A49-D51 VanDerWaalsContact O-N 3.12Å; D51-T53 WeakPolarHBondContact OD1-CB 3.44Å; D51-T53 PolarHBondContact OD1-N 2.85Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å
52F61.1Low61Low50 Ų5086.1 Ų86.122%0.21948%0.483CS..  trans-88.77.4177-52.3-73.4000111.7N50 V105 P107 V162N50-F52 HydrophobicContact CB-CE2 3.8Å; N50-F52 HydrophobicContact CB-CZ 4.04Å; N50-F52 WeakPolarHBondContact O-CD2 3.49Å; N50-F52 WeakPolarHBondContact O-CE2 3.26Å; N50-F52 PolarHBondContact O-N 2.62Å; F52-V105 HydrophobicContact CD1-CG1 4.21Å; F52-V105 HydrophobicContact CD1-CG2 4.42Å; F52-P107 HydrophobicContact CD2-CB 3.69Å; F52-P107 HydrophobicContact CD2-CG 4.44Å; F52-P107 HydrophobicContact CE2-CB 3.77Å; F52-P107 HydrophobicContact CG-CB 4.34Å; F52-V162 HydrophobicContact CE1-CB 4.49Å; F52-V162 HydrophobicContact CE1-CG1 4.13Å; F52-V162 HydrophobicContact CE1-CG2 4.09Å; F52-V162 HydrophobicContact CZ-CG2 4.31Å
53T58.9Low63.1Low91 Ų9183 Ų8356%0.55847%0.466SS*.  trans-91.2110.8179.5700000110.5Y43 D51 A55Y43-T53 PolarHBondContact OH-O 3.4Å; D51-T53 WeakPolarHBondContact OD1-CB 3.44Å; D51-T53 PolarHBondContact OD1-N 2.85Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å; T53-A55 PolarHBondContact O-N 2.8Å; T53-A55 VanDerWaalsContact O-N 3.11Å
54D58Low64.9Low46 Ų4682.2 Ų82.225%0.24647%0.472CS..  trans-81.387.2170.9-177.57.9000109.6Y43 S56 Q57Y43-D54 HydrophobicContact CD1-CB 4.42Å; Y43-D54 HydrophobicContact CE1-CB 3.82Å; Y43-D54 WeakPolarHBondContact CE2-OD1 3.36Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.2Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.03Å; D54-Q57 PolarHBondContact OD2-NE2 3.16Å
55A58Low66.6Low94 Ų9476.3 Ų76.378%0.77744%0.442SS*.THydrogen-bonded Turntrans-71.5-3.9177.400000113.6T53 Q57T53-A55 PolarHBondContact O-N 2.8Å; T53-A55 VanDerWaalsContact O-N 3.11Å; A55-Q57 PolarHBondContact O-N 3.4Å
56S57.8Low68.3Low62 Ų6278.3 Ų78.343%0.43445%0.451SS..THydrogen-bonded Turntrans-75.4-10.5-179.276.80000113.4D54D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.2Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.03Å
57Q63.8Low70.2Confident37 Ų3778.6 Ų78.617%0.17345%0.451CS..SBendtrans-84124.3-173.2-72.6179.730.900112.8D54 A55 S61 R104D54-Q57 PolarHBondContact OD2-NE2 3.16Å; A55-Q57 PolarHBondContact O-N 3.4Å; Q57-S61 PolarHBondContact OE1-OG 2.87Å; Q57-R104 VanDerWaalsContact CD-CZ 3.49Å; Q57-R104 VanDerWaalsContact CD-NH2 3.31Å; Q57-R104 VanDerWaalsContact NE2-NE 3.12Å; Q57-R104 VanDerWaalsContact NE2-NH2 3.11Å; Q57-R104 VanDerWaalsContact OE1-NH1 3.09Å
58G75.6Confident71.9Confident52 Ų5280.2 Ų80.254%0.53646%0.462SS..  trans-56.3148.4166.600000111.2V60 S61 W62G58-V60 PolarHBondContact O-N 3.41Å; G58-S61 WeakPolarHBondContact O-CB 3.35Å; G58-S61 PolarHBondContact O-N 3.49Å; G58-W62 PolarHBondContact O-N 3.03Å
59W80.4Confident73.7Confident213 Ų21376.6 Ų76.681%0.80743%0.434SS*.Hα-helixtrans-54.9-29.2-171.6-134.24.9000113.9W62 I63W59-W62 PolarHBondContact O-N 3.41Å; W59-I63 WeakPolarHBondContact O-CD1 3.36Å; W59-I63 VanDerWaalsContact O-CG1 3.24Å; W59-I63 WeakPolarHBondContact O-CG1 3.46Å; W59-I63 PolarHBondContact O-N 3.01Å
60V82.5Confident75.5Confident118 Ų11879.8 Ų79.872%0.71544%0.436SS*.Hα-helixtrans-66-40.4176.2-176.30000112.6G58 W62 I63 C64G58-V60 PolarHBondContact O-N 3.41Å; V60-W62 VanDerWaalsContact C-N 3.31Å; V60-W62 PolarHBondContact O-N 2.89Å; V60-I63 PolarHBondContact O-N 2.95Å; V60-C64 VanDerWaalsContact O-CB 3.3Å; V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-N 2.87Å
61S80.8Confident76.9Confident44 Ų4480.8 Ų80.831%0.30844%0.441SS..Hα-helixtrans-65.1-39.1175.91720000110.9Q57 G58 C64 N65Q57-S61 PolarHBondContact OE1-OG 2.87Å; G58-S61 WeakPolarHBondContact O-CB 3.35Å; G58-S61 PolarHBondContact O-N 3.49Å; S61-C64 PolarHBondContact O-N 3.2Å; S61-N65 WeakPolarHBondContact O-CB 3.47Å; S61-N65 PolarHBondContact O-N 3.39Å
62W82.4Confident78.2Confident139 Ų13978.3 Ų78.353%0.52743%0.428SS..Hα-helixtrans-63.5-47.6176.3-172.881.4000111.6G58 W59 V60 C64 N65 L66G58-W62 PolarHBondContact O-N 3.03Å; W59-W62 PolarHBondContact O-N 3.41Å; V60-W62 VanDerWaalsContact C-N 3.31Å; V60-W62 PolarHBondContact O-N 2.89Å; W62-C64 PolarHBondContact O-N 3.22Å; W62-N65 PolarHBondContact O-N 2.84Å; W62-L66 HydrophobicContact CD2-CD1 4.08Å; W62-L66 HydrophobicContact CD2-CG 4.46Å; W62-L66 HydrophobicContact CE3-CD1 3.87Å; W62-L66 HydrophobicContact CH2-CD1 3.43Å; W62-L66 VanDerWaalsContact CH2-CD1 3.43Å; W62-L66 HydrophobicContact CZ2-CD1 3.65Å; W62-L66 HydrophobicContact CZ2-CG 4.47Å; W62-L66 HydrophobicContact CZ3-CD1 3.54Å; W62-L66 WeakPolarHBondContact O-CG 3.48Å; W62-L66 PolarHBondContact O-N 3.19Å
63I86.5Confident79.5Confident81 Ų8180.6 Ų80.642%0.41544%0.436SS..Hα-helixtrans-62.3-44.4176.7-65.9161.2000111.1W59 V60 N65 L66 I67W59-I63 WeakPolarHBondContact O-CD1 3.36Å; W59-I63 VanDerWaalsContact O-CG1 3.24Å; W59-I63 WeakPolarHBondContact O-CG1 3.46Å; W59-I63 PolarHBondContact O-N 3.01Å; V60-I63 PolarHBondContact O-N 2.95Å; I63-N65 PolarHBondContact O-N 2.54Å; I63-L66 PolarHBondContact O-N 2.99Å; I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.43Å; I63-I67 PolarHBondContact O-N 3.21Å
64C86.2Confident81Confident70 Ų7079.8 Ų79.847%0.47343%0.427SS..Hα-helixtrans-60.1-45.5177.3-176.40000111.7V60 S61 W62 L66 I67 V68V60-C64 VanDerWaalsContact O-CB 3.3Å; V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-N 2.87Å; S61-C64 PolarHBondContact O-N 3.2Å; W62-C64 PolarHBondContact O-N 3.22Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-L66 PolarHBondContact O-N 3.35Å; C64-I67 PolarHBondContact O-N 3.45Å; C64-V68 WeakPolarHBondContact O-CG2 3.36Å; C64-V68 PolarHBondContact O-N 2.86Å
65N85.8Confident82.4Confident27 Ų2781.2 Ų81.214%0.14444%0.44CS..Hα-helixtrans-59.8-43176.1-174.9-94000111.8S61 W62 I63 V68 I69 L102 R104S61-N65 WeakPolarHBondContact O-CB 3.47Å; S61-N65 PolarHBondContact O-N 3.39Å; W62-N65 PolarHBondContact O-N 2.84Å; I63-N65 PolarHBondContact O-N 2.54Å; N65-V68 PolarHBondContact O-N 2.86Å; N65-I69 WeakPolarHBondContact O-CB 3.31Å; N65-I69 VanDerWaalsContact O-CG1 3.23Å; N65-I69 WeakPolarHBondContact O-CG1 3.19Å; N65-I69 PolarHBondContact O-N 3.2Å; N65-I69 WeakPolarHBondContact OD1-CD1 3.17Å; N65-L102 VanDerWaalsContact ND2-CD1 3.26Å; N65-L102 WeakPolarHBondContact ND2-CD1 3.14Å; N65-R104 PolarHBondContact ND2-NH1 3.21Å
66L87Confident83.8Confident76 Ų7677.7 Ų77.740%0.39841%0.409SS..Hα-helixtrans-62.9-42.1175.5-72.6-172.4000112.6W62 I63 C64 I69 F70W62-L66 HydrophobicContact CD2-CD1 4.08Å; W62-L66 HydrophobicContact CD2-CG 4.46Å; W62-L66 HydrophobicContact CE3-CD1 3.87Å; W62-L66 HydrophobicContact CH2-CD1 3.43Å; W62-L66 VanDerWaalsContact CH2-CD1 3.43Å; W62-L66 HydrophobicContact CZ2-CD1 3.65Å; W62-L66 HydrophobicContact CZ2-CG 4.47Å; W62-L66 HydrophobicContact CZ3-CD1 3.54Å; W62-L66 WeakPolarHBondContact O-CG 3.48Å; W62-L66 PolarHBondContact O-N 3.19Å; I63-L66 PolarHBondContact O-N 2.99Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-L66 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 3.24Å; L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.28Å; L66-F70 PolarHBondContact O-N 2.86Å
67I91Very high85.1Confident103 Ų10382.3 Ų82.353%0.52842%0.422SS..Hα-helixtrans-61.7-45.8177.1-68.8166.1000110.5I63 C64 F70 L71I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.43Å; I63-I67 PolarHBondContact O-N 3.21Å; C64-I67 PolarHBondContact O-N 3.45Å; I67-F70 PolarHBondContact O-N 3.48Å; I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 PolarHBondContact O-N 3.38Å
68V89.4Confident86.3Confident53 Ų5387 Ų8732%0.32145%0.446SS..Hα-helixtrans-62.2-46.1178.1173.10000110.9C64 N65 F70 L71 V72 L102C64-V68 WeakPolarHBondContact O-CG2 3.36Å; C64-V68 PolarHBondContact O-N 2.86Å; N65-V68 PolarHBondContact O-N 2.86Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.94Å; V68-L71 PolarHBondContact O-N 2.97Å; V68-V72 WeakPolarHBondContact O-CG2 3.19Å; V68-V72 PolarHBondContact O-N 3.42Å; V68-L102 HydrophobicContact CB-CD1 4.44Å; V68-L102 HydrophobicContact CG1-CD1 3.96Å; V68-L102 HydrophobicContact CG1-CD2 4.26Å
69I87.8Confident86.7Confident22 Ų2286.4 Ų86.411%0.11344%0.437CS..Hα-helixtrans-59.7-46.7177.2-70.9170.8000110.3N65 L66 L71 V72 Y73 L102 I120N65-I69 WeakPolarHBondContact O-CB 3.31Å; N65-I69 VanDerWaalsContact O-CG1 3.23Å; N65-I69 WeakPolarHBondContact O-CG1 3.19Å; N65-I69 PolarHBondContact O-N 3.2Å; N65-I69 WeakPolarHBondContact OD1-CD1 3.17Å; L66-I69 PolarHBondContact O-N 3.24Å; I69-L71 PolarHBondContact O-N 3.48Å; I69-V72 PolarHBondContact O-N 3.44Å; I69-Y73 HydrophobicContact CG2-CD2 3.61Å; I69-Y73 HydrophobicContact CG2-CE2 3.58Å; I69-Y73 VanDerWaalsContact O-CD2 3.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.21Å; I69-Y73 PolarHBondContact O-N 3.04Å; I69-L102 HydrophobicContact CG1-CD1 4.39Å; I69-I120 HydrophobicContact CG1-CD1 4.49Å
70F91.2Very high86.4Confident135 Ų13583.1 Ų83.159%0.59243%0.428SS*.Hα-helixtrans-61.2-44.4179.8-178.2-107.2000112.3L66 I67 V68 V72 Y73 I74L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.28Å; L66-F70 PolarHBondContact O-N 2.86Å; I67-F70 PolarHBondContact O-N 3.48Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.94Å; F70-V72 PolarHBondContact O-N 3.05Å; F70-Y73 WeakPolarHBondContact O-CB 3.43Å; F70-Y73 PolarHBondContact O-N 3.12Å; F70-I74 HydrophobicContact CD1-CD1 3.65Å; F70-I74 HydrophobicContact CE1-CD1 3.19Å; F70-I74 HydrophobicContact CE1-CG1 4.27Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.37Å; F70-I74 HydrophobicContact CZ-CD1 3.55Å; F70-I74 HydrophobicContact CZ-CG1 4.29Å; F70-I74 WeakPolarHBondContact O-CG1 3.18Å; F70-I74 PolarHBondContact O-N 3.46Å
71L90.3Very high86.1Confident110 Ų11083 Ų8358%0.57643%0.43SS*.Hα-helixtrans-61.2-43.4176.8-169.9158.7000111.5I67 V68 I69 Y73 I74 C75I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 PolarHBondContact O-N 3.38Å; V68-L71 PolarHBondContact O-N 2.97Å; I69-L71 PolarHBondContact O-N 3.48Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.49Å
72V88.1Confident85.9Confident22 Ų2286.6 Ų86.613%0.13345%0.45CS..Hα-helixtrans-66.5-37.2177.8173.50000111.7V68 I69 F70 C75 T76 L117 I120V68-V72 WeakPolarHBondContact O-CG2 3.19Å; V68-V72 PolarHBondContact O-N 3.42Å; I69-V72 PolarHBondContact O-N 3.44Å; F70-V72 PolarHBondContact O-N 3.05Å; V72-C75 PolarHBondContact O-N 3.41Å; V72-T76 WeakPolarHBondContact O-CB 3.34Å; V72-T76 PolarHBondContact O-N 3.29Å; V72-T76 PolarHBondContact O-OG1 3.12Å; V72-L117 HydrophobicContact CG1-CB 4.38Å; V72-I120 HydrophobicContact CB-CD1 4.04Å; V72-I120 HydrophobicContact CG1-CD1 3.86Å; V72-I120 HydrophobicContact CG1-CG1 4.05Å; V72-I120 HydrophobicContact CG1-CG2 4.5Å; V72-I120 HydrophobicContact CG2-CD1 4.21Å; V72-I120 HydrophobicContact CG2-CG2 3.82Å
73Y88.8Confident85.8Confident97 Ų9781.1 Ų81.138%0.3843%0.432SS..Hα-helixtrans-61.5-45.5171.7-91.7-71.5000112I69 F70 L71 T76 F77 L115 L117I69-Y73 HydrophobicContact CG2-CD2 3.61Å; I69-Y73 HydrophobicContact CG2-CE2 3.58Å; I69-Y73 VanDerWaalsContact O-CD2 3.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.21Å; I69-Y73 PolarHBondContact O-N 3.04Å; F70-Y73 WeakPolarHBondContact O-CB 3.43Å; F70-Y73 PolarHBondContact O-N 3.12Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; Y73-T76 PolarHBondContact O-N 3.19Å; Y73-F77 WeakPolarHBondContact O-CB 3.47Å; Y73-F77 PolarHBondContact O-N 2.99Å; Y73-L115 HydrophobicContact CE1-CD2 4.02Å; Y73-L117 HydrophobicContact CD1-CD2 4.08Å; Y73-L117 HydrophobicContact CD2-CD1 4.25Å; Y73-L117 HydrophobicContact CE1-CD1 4.41Å; Y73-L117 HydrophobicContact CE1-CD2 3.83Å; Y73-L117 HydrophobicContact CE2-CD1 3.73Å
74I90.1Very high85.3Confident74 Ų7478.7 Ų78.738%0.37943%0.426SS..Hα-helixtrans-59.9-48176-71.7169.8000110.7F70 L71 T76 F77 I78F70-I74 HydrophobicContact CD1-CD1 3.65Å; F70-I74 HydrophobicContact CE1-CD1 3.19Å; F70-I74 HydrophobicContact CE1-CG1 4.27Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.37Å; F70-I74 HydrophobicContact CZ-CD1 3.55Å; F70-I74 HydrophobicContact CZ-CG1 4.29Å; F70-I74 WeakPolarHBondContact O-CG1 3.18Å; F70-I74 PolarHBondContact O-N 3.46Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.2Å; I74-F77 WeakPolarHBondContact O-CB 3.32Å; I74-F77 PolarHBondContact O-N 2.79Å; I74-F77 VanDerWaalsContact O-N 3.14Å; I74-I78 HydrophobicContact CG2-CD1 3.59Å; I74-I78 HydrophobicContact CG2-CG1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.29Å; I74-I78 PolarHBondContact O-N 2.96Å
75C87.3Confident84.9Confident77 Ų7786.2 Ų86.252%0.5245%0.445SS..Hα-helixtrans-60.3-42178.5-171.10000111.6L71 V72 F77 I78 A79L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.49Å; V72-C75 PolarHBondContact O-N 3.41Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.36Å; C75-I78 PolarHBondContact O-N 3.02Å; C75-A79 PolarHBondContact O-N 3.02Å
76T86.6Confident84.5Confident20 Ų2090.6 Ų90.612%0.12346%0.463CS..Hα-helixtrans-61.7-39.2175.9-57.20000111.7V72 Y73 I74 T83 V87V72-T76 WeakPolarHBondContact O-CB 3.34Å; V72-T76 PolarHBondContact O-N 3.29Å; V72-T76 PolarHBondContact O-OG1 3.12Å; Y73-T76 PolarHBondContact O-N 3.19Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.2Å; T76-T83 PolarHBondContact O-OG1 2.98Å; T76-V87 HydrophobicContact CG2-CG2 3.65Å
77F86.7Confident84.3Confident158 Ų15887.3 Ų87.369%0.69345%0.446SS*.Hα-helixtrans-72.3-36.9178.2-175.6-97.4000113Y73 I74 C75 A79 F80Y73-F77 WeakPolarHBondContact O-CB 3.47Å; Y73-F77 PolarHBondContact O-N 2.99Å; I74-F77 WeakPolarHBondContact O-CB 3.32Å; I74-F77 PolarHBondContact O-N 2.79Å; I74-F77 VanDerWaalsContact O-N 3.14Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.36Å; F77-A79 VanDerWaalsContact C-N 3.28Å; F77-A79 PolarHBondContact O-N 3.03Å; F77-F80 WeakPolarHBondContact O-CB 3.29Å; F77-F80 PolarHBondContact O-N 2.93Å
78I87Confident84Confident135 Ų13586.9 Ų86.969%0.69244%0.444SS*.Hα-helixtrans-67-32.4176.8-68.1168000111I74 C75 F80I74-I78 HydrophobicContact CG2-CD1 3.59Å; I74-I78 HydrophobicContact CG2-CG1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.29Å; I74-I78 PolarHBondContact O-N 2.96Å; C75-I78 PolarHBondContact O-N 3.02Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 2.85Å
79A85.9Confident83.9Confident40 Ų4086.9 Ų86.933%0.33144%0.44SS..THydrogen-bonded Turntrans-89.123.9-178.800000114.6C75 F77 P81 V82 T83C75-A79 PolarHBondContact O-N 3.02Å; F77-A79 VanDerWaalsContact C-N 3.28Å; F77-A79 PolarHBondContact O-N 3.03Å; A79-P81 WeakPolarHBondContact O-CD 3.49Å; A79-V82 PolarHBondContact O-N 2.92Å; A79-V82 VanDerWaalsContact O-N 3.12Å; A79-T83 HydrophobicContact CB-CG2 3.51Å; A79-T83 PolarHBondContact O-N 3.34Å; A79-T83 PolarHBondContact O-OG1 3.03Å
80F74.3Confident84Confident145 Ų14590.7 Ų90.764%0.63646%0.464SS*.THydrogen-bonded Turntrans-80.255.3-164.6-175.9-102.9000116.1F77 I78F77-F80 WeakPolarHBondContact O-CB 3.29Å; F77-F80 PolarHBondContact O-N 2.93Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 2.85Å
81P75.3Confident83.9Confident114 Ų11484.4 Ų84.474%0.7444%0.437SS*.THydrogen-bonded Turn-128.8-22.112330.8-25.9000113.1A79A79-P81 WeakPolarHBondContact O-CD 3.49Å
82V77.4Confident83.9Confident121 Ų12181.1 Ų81.173%0.73342%0.423SS*.Hα-helixtrans-78-37.1-174.6-176.30000110.9A79A79-V82 PolarHBondContact O-N 2.92Å; A79-V82 VanDerWaalsContact O-N 3.12Å
83T79.4Confident84Confident24 Ų2486.4 Ų86.415%0.14745%0.45CS..Hα-helixtrans-76.5-30.7-177.552.70000113.3T76 A79 W85 F86 V87T76-T83 PolarHBondContact O-OG1 2.98Å; A79-T83 HydrophobicContact CB-CG2 3.51Å; A79-T83 PolarHBondContact O-N 3.34Å; A79-T83 PolarHBondContact O-OG1 3.03Å; T83-W85 VanDerWaalsContact C-N 3.27Å; T83-W85 PolarHBondContact O-N 3.39Å; T83-F86 PolarHBondContact O-N 2.83Å; T83-V87 WeakPolarHBondContact O-CB 3.36Å; T83-V87 WeakPolarHBondContact O-CG2 3.31Å; T83-V87 PolarHBondContact O-N 2.88Å
84G75.8Confident84Confident29 Ų2986 Ų8630%0.29945%0.448SS..Hα-helixtrans-55.9-39.4-177.300000113.4L88G84-L88 WeakPolarHBondContact O-CB 3.41Å; G84-L88 PolarHBondContact O-N 2.91Å
85W77.6Confident84.1Confident228 Ų22884.3 Ų84.386%0.86444%0.439SS*.Hα-helixtrans-69.2-31176.3-173.8-95.7000113.6T83T83-W85 VanDerWaalsContact C-N 3.27Å; T83-W85 PolarHBondContact O-N 3.39Å
86F77.3Confident84.4Confident119 Ų11983.9 Ų83.952%0.52243%0.426SS..Hα-helixtrans-83.5-37-178.4-165.2-92.6000112.3T83 K89 P118T83-F86 PolarHBondContact O-N 2.83Å; F86-K89 WeakPolarHBondContact O-CE 3.48Å; F86-P118 HydrophobicContact CD1-CB 3.82Å; F86-P118 HydrophobicContact CE1-CB 3.93Å
87V82.4Confident84.6Confident7 Ų783.1 Ų83.14%0.04242%0.421CS..Hα-helixtrans-75.5-33.3-174.5-177.70000111.5T76 T83 K89 L115 V116 P118T76-V87 HydrophobicContact CG2-CG2 3.65Å; T83-V87 WeakPolarHBondContact O-CB 3.36Å; T83-V87 WeakPolarHBondContact O-CG2 3.31Å; T83-V87 PolarHBondContact O-N 2.88Å; V87-K89 PolarHBondContact O-N 3.17Å; V87-L115 HydrophobicContact CB-CD1 4.46Å; V87-L115 HydrophobicContact CG1-CD1 3.29Å; V87-L115 HydrophobicContact CG1-CG 3.55Å; V87-V116 VanDerWaalsContact CA-O 3.29Å; V87-V116 WeakPolarHBondContact CA-O 3.32Å; V87-V116 WeakPolarHBondContact CG1-O 3.5Å; V87-V116 PolarHBondContact O-N 2.86Å; V87-P118 HydrophobicContact CG2-CG 4.15Å
88L86Confident84.9Confident94 Ų9475.6 Ų75.649%0.49239%0.388SS..EExtended strand (participates in β ladder)trans-90.4108.4-175.4-14668.3000110.6G84 V113 L115G84-L88 WeakPolarHBondContact O-CB 3.41Å; G84-L88 PolarHBondContact O-N 2.91Å; L88-V113 HydrophobicContact CD1-CG1 3.18Å; L88-V113 HydrophobicContact CD2-CG1 3.92Å; L88-V113 HydrophobicContact CG-CG1 3.34Å; L88-L115 HydrophobicContact CD1-CD1 4.16Å
89K86.9Confident85.1Confident53 Ų5369.1 Ų69.123%0.2336%0.355CS..EExtended strand (participates in β ladder)trans-115.3122.9177.4-64.7-64.1-177.6-174.90110.6F86 V87 V114F86-K89 WeakPolarHBondContact O-CE 3.48Å; V87-K89 PolarHBondContact O-N 3.17Å; K89-V114 PolarHBondContact N-O 2.85Å; K89-V114 PolarHBondContact O-N 2.97Å
90T89.1Confident85.3Confident102 Ų10268.9 Ų68.963%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-83131.7172.9-49.60000110.3
91V90.1Very high85.9Confident4 Ų464.4 Ų64.42%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-120.1128.4-178.7-175.30000109Q95 V97 G112 V114V91-Q95 HydrophobicContact CG1-CB 3.79Å; V91-V97 HydrophobicContact CB-CG2 4.31Å; V91-V97 HydrophobicContact CG1-CG2 3.91Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; V91-G112 PolarHBondContact N-O 2.91Å; V91-G112 PolarHBondContact O-N 3.3Å; V91-V114 HydrophobicContact CG2-CB 4.2Å; V91-V114 HydrophobicContact CG2-CG2 3.81Å
92P90.3Very high86.4Confident41 Ų4162.3 Ų62.327%0.26631%0.308SS..  trans-72.6160.9178.131.1-35.3000112.3Y94 Q95P92-Y94 HydrophobicContact CB-CD1 3.95Å; P92-Y94 HydrophobicContact CB-CE1 3.48Å; P92-Y94 VanDerWaalsContact CB-CE1 3.48Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CG-CD1 4.44Å; P92-Y94 HydrophobicContact CG-CD2 4.4Å; P92-Y94 HydrophobicContact CG-CE1 3.95Å; P92-Y94 HydrophobicContact CG-CE2 3.88Å; P92-Y94 PolarHBondContact O-N 2.95Å; P92-Y94 VanDerWaalsContact O-N 3.12Å; P92-Q95 VanDerWaalsContact CD-OE1 3.32Å; P92-Q95 HydrophobicContact CG-CB 3.95Å; P92-Q95 HydrophobicContact CG-CG 3.81Å; P92-Q95 PolarHBondContact O-N 3.44Å
93N89.3Confident86.5Confident132 Ų13260 Ų6071%0.70631%0.308SS*.THydrogen-bonded Turntrans-55.1-33.5-175.1-74.2-36.4000115.4Q95 R96 P111N93-Q95 VanDerWaalsContact C-N 3.33Å; N93-R96 PolarHBondContact O-NH1 3.48Å; N93-P111 HydrophobicContact CB-CB 4.46Å; N93-P111 WeakPolarHBondContact OD1-CB 3.36Å; N93-P111 WeakPolarHBondContact OD1-CG 3.26Å
94Y89.9Confident86.6Confident89 Ų8962.9 Ų62.935%0.34932%0.316SS..THydrogen-bonded Turntrans-86.9-1.6-177.455.3-92.1000113.9P92 L128 R129P92-Y94 HydrophobicContact CB-CD1 3.95Å; P92-Y94 HydrophobicContact CB-CE1 3.48Å; P92-Y94 VanDerWaalsContact CB-CE1 3.48Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CG-CD1 4.44Å; P92-Y94 HydrophobicContact CG-CD2 4.4Å; P92-Y94 HydrophobicContact CG-CE1 3.95Å; P92-Y94 HydrophobicContact CG-CE2 3.88Å; P92-Y94 PolarHBondContact O-N 2.95Å; P92-Y94 VanDerWaalsContact O-N 3.12Å; Y94-L128 PolarHBondContact O-N 2.89Å; Y94-R129 VanDerWaalsContact CB-NE 3.34Å; Y94-R129 VanDerWaalsContact CE1-NH2 3.25Å; Y94-R129 VanDerWaalsContact CG-NE 3.29Å
95Q92.6Very high87Confident39 Ų3962.5 Ų62.518%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-111.1155.3175.4-69.1177.4-2.700110.7V91 P92 N93 V126V91-Q95 HydrophobicContact CG1-CB 3.79Å; P92-Q95 VanDerWaalsContact CD-OE1 3.32Å; P92-Q95 HydrophobicContact CG-CB 3.95Å; P92-Q95 HydrophobicContact CG-CG 3.81Å; P92-Q95 PolarHBondContact O-N 3.44Å; N93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-V126 CarbonylContact C-O 3.57Å; Q95-V126 VanDerWaalsContact CA-O 3.31Å; Q95-V126 WeakPolarHBondContact CA-O 3.23Å
96R91.7Very high87.4Confident68 Ų6852.7 Ų52.726%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-125.8149.6167.4-67.6-68.1-178.4-93.71.1108.7N93 V126 L128 P161N93-R96 PolarHBondContact O-NH1 3.48Å; R96-V126 PolarHBondContact N-O 3.47Å; R96-V126 PolarHBondContact O-N 3.41Å; R96-L128 HydrophobicContact CG-CD1 3.55Å; R96-L128 HydrophobicContact CG-CD2 4.19Å; R96-L128 HydrophobicContact CG-CG 4.01Å; R96-P161 HydrophobicContact CB-CB 3.97Å; R96-P161 HydrophobicContact CB-CG 3.86Å; R96-P161 HydrophobicContact CG-CG 4.16Å
97V92.7Very high87.7Confident3 Ų350.6 Ų50.62%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-111.1120.1175.2179.80000108.7V91 V99 K109 W123 Q124 R125V91-V97 HydrophobicContact CB-CG2 4.31Å; V91-V97 HydrophobicContact CG1-CG2 3.91Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; V97-V99 HydrophobicContact CG1-CG2 3.77Å; V97-K109 PolarHBondContact N-O 3Å; V97-K109 PolarHBondContact O-N 3.25Å; V97-W123 HydrophobicContact CG1-CB 3.86Å; V97-W123 HydrophobicContact CG1-CE3 4.4Å; V97-Q124 WeakPolarHBondContact CA-O 3.28Å; V97-R125 HydrophobicContact CG2-CG 3.89Å
98V91.8Very high87.8Confident0 Ų052.4 Ų52.40%029%0.285CS..EExtended strand (participates in β ladder)trans-88.8125.7168-175.60000106.7F100 W123 Q124 V126 P161 V162 V165V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.78Å; V98-W123 WeakPolarHBondContact O-CA 3.43Å; V98-Q124 PolarHBondContact N-O 2.91Å; V98-Q124 PolarHBondContact O-N 2.98Å; V98-V126 HydrophobicContact CG2-CG2 4.15Å; V98-P161 HydrophobicContact CG2-CB 4Å; V98-P161 WeakPolarHBondContact CG2-O 3.48Å; V98-V162 HydrophobicContact CG2-CG2 4.4Å; V98-V165 HydrophobicContact CB-CG2 4.49Å; V98-V165 HydrophobicContact CG2-CG2 4.16Å
99V91.1Very high87.8Confident0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-115.4130180-1780000108.5V97 C106 K109 D121 Q122 W123V97-V99 HydrophobicContact CG1-CG2 3.77Å; V99-C106 HydrophobicContact CB-CB 4.33Å; V99-C106 WeakPolarHBondContact O-CB 3.36Å; V99-C106 PolarHBondContact O-N 3.01Å; V99-K109 HydrophobicContact CG2-CD 4.25Å; V99-D121 HydrophobicContact CG1-CB 3.84Å; V99-Q122 CarbonylContact C-O 3.58Å; V99-Q122 WeakPolarHBondContact CA-O 3.42Å; V99-W123 HydrophobicContact CG2-CB 4.32Å
100F90.1Very high87.5Confident35 Ų3549.7 Ų49.715%0.15428%0.279CS..EExtended strand (participates in β ladder)trans-105.6113.3169.2-59.3-82.4000108.2V98 R104 V105 D121 Q122 V165 V166V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.78Å; F100-R104 CarbonylContact C-O 3.53Å; F100-R104 VanDerWaalsContact CA-O 3.22Å; F100-R104 WeakPolarHBondContact CA-O 3.3Å; F100-V105 HydrophobicContact CD1-CB 4.17Å; F100-V105 HydrophobicContact CE1-CB 4.02Å; F100-V105 HydrophobicContact CE1-CG2 4.1Å; F100-D121 CarbonylContact O-C 3.46Å; F100-D121 WeakPolarHBondContact O-CA 3.19Å; F100-Q122 HydrophobicContact CB-CB 4.31Å; F100-Q122 PolarHBondContact N-O 3.44Å; F100-Q122 PolarHBondContact O-N 3.3Å; F100-V165 HydrophobicContact CE2-CG1 3.73Å; F100-V165 HydrophobicContact CZ-CB 4.41Å; F100-V165 HydrophobicContact CZ-CG1 3.71Å; F100-V166 HydrophobicContact CE1-CG2 3.82Å; F100-V166 HydrophobicContact CZ-CG2 3.9Å
101R87.5Confident87.3Confident51 Ų5147.4 Ų47.419%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-101.3116.7176.8179173.5-64.4160.90.3109.1G103 R104 I120 D121R101-G103 PolarHBondContact O-N 3.47Å; R101-R104 PolarHBondContact N-O 2.97Å; R101-R104 WeakPolarHBondContact O-CB 3.4Å; R101-R104 PolarHBondContact O-N 3.09Å; R101-I120 HydrophobicContact CG-CD1 4.42Å; R101-D121 WeakPolarHBondContact CB-OD1 3.22Å; R101-D121 VanDerWaalsContact CG-OD1 3.27Å; R101-D121 WeakPolarHBondContact CG-OD1 3.21Å; R101-D121 IonicContact CZ-OD1 3.93Å; R101-D121 IonicContact NE-OD1 3.92Å; R101-D121 PolarHBondContact NE-OD1 3.49Å; R101-D121 IonicContact NE-OD2 3.91Å; R101-D121 IonicContact NH2-OD1 2.98Å; R101-D121 IonicContact NH2-OD2 3.96Å
102L85Confident87.2Confident70 Ų7048.6 Ų48.637%0.36628%0.279SS..THydrogen-bonded Turntrans52.239.9-178.3-59.8167.6000111.7N65 V68 I69 R104 I120N65-L102 VanDerWaalsContact ND2-CD1 3.26Å; N65-L102 WeakPolarHBondContact ND2-CD1 3.14Å; V68-L102 HydrophobicContact CB-CD1 4.44Å; V68-L102 HydrophobicContact CG1-CD1 3.96Å; V68-L102 HydrophobicContact CG1-CD2 4.26Å; I69-L102 HydrophobicContact CG1-CD1 4.39Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.49Å; L102-I120 HydrophobicContact CD2-CB 3.89Å; L102-I120 HydrophobicContact CD2-CG2 3.78Å; L102-I120 HydrophobicContact CG-CB 4.23Å; L102-I120 PolarHBondContact N-O 3.44Å
103G79.5Confident87.1Confident71 Ų7151 Ų5173%0.73229%0.293SS*.THydrogen-bonded Turntrans78.9-1-177.500000115.6R101R101-G103 PolarHBondContact O-N 3.47Å
104R82.3Confident87Confident85 Ų8545.1 Ų45.132%0.32126%0.261SS..EExtended strand (participates in β ladder)trans-99.5134.4-179.8-58.9179.8-171.2156.22.7111.5Q57 N65 F100 R101 L102 C106Q57-R104 VanDerWaalsContact CD-CZ 3.49Å; Q57-R104 VanDerWaalsContact CD-NH2 3.31Å; Q57-R104 VanDerWaalsContact NE2-NE 3.12Å; Q57-R104 VanDerWaalsContact NE2-NH2 3.11Å; Q57-R104 VanDerWaalsContact OE1-NH1 3.09Å; N65-R104 PolarHBondContact ND2-NH1 3.21Å; F100-R104 CarbonylContact C-O 3.53Å; F100-R104 VanDerWaalsContact CA-O 3.22Å; F100-R104 WeakPolarHBondContact CA-O 3.3Å; R101-R104 PolarHBondContact N-O 2.97Å; R101-R104 WeakPolarHBondContact O-CB 3.4Å; R101-R104 PolarHBondContact O-N 3.09Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.49Å; R104-C106 PolarHBondContact O-N 3.35Å
105V84.8Confident86.9Confident22 Ų2244.3 Ų44.313%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-68.6126.117764.70000110.5F52 F100 V162 V166F52-V105 HydrophobicContact CD1-CG1 4.21Å; F52-V105 HydrophobicContact CD1-CG2 4.42Å; F100-V105 HydrophobicContact CD1-CB 4.17Å; F100-V105 HydrophobicContact CE1-CB 4.02Å; F100-V105 HydrophobicContact CE1-CG2 4.1Å; V105-V162 HydrophobicContact CG2-CG1 3.44Å; V105-V162 VanDerWaalsContact CG2-CG1 3.44Å; V105-V166 HydrophobicContact CG2-CG2 4.43Å
106C84.4Confident86.8Confident22 Ų2242.8 Ų42.815%0.14926%0.256CS..PPolyproline II helixtrans-95.7157.7171.3-69.20000110.1V99 R104V99-C106 HydrophobicContact CB-CB 4.33Å; V99-C106 WeakPolarHBondContact O-CB 3.36Å; V99-C106 PolarHBondContact O-N 3.01Å; R104-C106 PolarHBondContact O-N 3.35Å
107P83.7Confident86.5Confident74 Ų7439.7 Ų39.748%0.48124%0.244SC..PPolyproline II helixtrans-53.8142.3171.321.4-32.7000110.8F52 K109F52-P107 HydrophobicContact CD2-CB 3.69Å; F52-P107 HydrophobicContact CD2-CG 4.44Å; F52-P107 HydrophobicContact CE2-CB 3.77Å; F52-P107 HydrophobicContact CG-CB 4.34Å; P107-K109 PolarHBondContact O-N 3.33Å
108P86Confident85.9Confident46 Ų4640.4 Ų40.430%0.29925%0.249SC..PPolyproline II helixtrans-63.4128.3-176.326.1-32.1000109.4P161 V162P108-P161 HydrophobicContact CB-CG 3.94Å; P108-V162 HydrophobicContact CB-CG2 3.91Å; P108-V162 HydrophobicContact CG-CG2 3.91Å
109K86.1Confident85.5Confident56 Ų5648.8 Ų48.824%0.24329%0.293CS..BIsolated β-bridgetrans-83.2133.6-179.4-66.1-173.5-179.7170.40109.9V97 V99 P107 V114 L115V97-K109 PolarHBondContact N-O 3Å; V97-K109 PolarHBondContact O-N 3.25Å; V99-K109 HydrophobicContact CG2-CD 4.25Å; P107-K109 PolarHBondContact O-N 3.33Å; K109-V114 HydrophobicContact CB-CG1 4.05Å; K109-V114 HydrophobicContact CB-CG2 3.91Å; K109-V114 HydrophobicContact CD-CB 4.5Å; K109-V114 HydrophobicContact CD-CG1 3.35Å; K109-V114 HydrophobicContact CG-CG1 4.33Å; K109-L115 PolarHBondContact NZ-O 3.32Å
110G79.9Confident85.3Confident34 Ų3449.8 Ų49.835%0.35130%0.298SS..  trans-67.5179.6179.600000113.3
111P85.1Confident85.3Confident53 Ų5348.9 Ų48.934%0.34430%0.295SS..SBendtrans-73.6158.7-179.533.7-31.8000111.3N93N93-P111 HydrophobicContact CB-CB 4.46Å; N93-P111 WeakPolarHBondContact OD1-CB 3.36Å; N93-P111 WeakPolarHBondContact OD1-CG 3.26Å
112G87.7Confident85.4Confident30 Ų3053 Ų5331%0.30932%0.316SS..EExtended strand (participates in β ladder)trans106.8-150.8-174.400000112.2V91 V114V91-G112 PolarHBondContact N-O 2.91Å; V91-G112 PolarHBondContact O-N 3.3Å; G112-V114 PolarHBondContact O-N 3.47Å
113V87.2Confident85.7Confident92 Ų9253.8 Ų53.856%0.55831%0.314SS*.EExtended strand (participates in β ladder)trans-84.8114.6-1751750000109.9L88L88-V113 HydrophobicContact CD1-CG1 3.18Å; L88-V113 HydrophobicContact CD2-CG1 3.92Å; L88-V113 HydrophobicContact CG-CG1 3.34Å
114V88.4Confident86.2Confident8 Ų854.8 Ų54.85%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-107.6122.4179.2174.20000109.4K89 V91 K109 G112 V116K89-V114 PolarHBondContact N-O 2.85Å; K89-V114 PolarHBondContact O-N 2.97Å; V91-V114 HydrophobicContact CG2-CB 4.2Å; V91-V114 HydrophobicContact CG2-CG2 3.81Å; K109-V114 HydrophobicContact CB-CG1 4.05Å; K109-V114 HydrophobicContact CB-CG2 3.91Å; K109-V114 HydrophobicContact CD-CB 4.5Å; K109-V114 HydrophobicContact CD-CG1 3.35Å; K109-V114 HydrophobicContact CG-CG1 4.33Å; G112-V114 PolarHBondContact O-N 3.47Å; V114-V116 HydrophobicContact CG1-CG2 3.85Å
115L87.9Confident86.7Confident71 Ų7156 Ų5637%0.37231%0.305SS..EExtended strand (participates in β ladder)trans-78.1118.6171.9-162.184.3000109.4Y73 V87 L88 K109Y73-L115 HydrophobicContact CE1-CD2 4.02Å; V87-L115 HydrophobicContact CB-CD1 4.46Å; V87-L115 HydrophobicContact CG1-CD1 3.29Å; V87-L115 HydrophobicContact CG1-CG 3.55Å; L88-L115 HydrophobicContact CD1-CD1 4.16Å; K109-L115 PolarHBondContact NZ-O 3.32Å
116V89.4Confident87.1Confident7 Ų755.3 Ų55.34%0.04230%0.301CS..  trans-123.6120.3176.3-175.30000109.1V87 V114 D121 W123V87-V116 VanDerWaalsContact CA-O 3.29Å; V87-V116 WeakPolarHBondContact CA-O 3.32Å; V87-V116 WeakPolarHBondContact CG1-O 3.5Å; V87-V116 PolarHBondContact O-N 2.86Å; V114-V116 HydrophobicContact CG1-CG2 3.85Å; V116-D121 HydrophobicContact CG1-CB 3.6Å; V116-W123 HydrophobicContact CG1-CB 4.14Å; V116-W123 HydrophobicContact CG1-CG 4.01Å; V116-W123 HydrophobicContact CG2-CB 4.45Å; V116-W123 HydrophobicContact CG2-CG 4.42Å
117L86.8Confident87.5Confident3 Ų355.4 Ų55.42%0.01630%0.299CS..  trans-77.5128.1-175-64.8166.5000111.2V72 Y73 I120 D121V72-L117 HydrophobicContact CG1-CB 4.38Å; Y73-L117 HydrophobicContact CD1-CD2 4.08Å; Y73-L117 HydrophobicContact CD2-CD1 4.25Å; Y73-L117 HydrophobicContact CE1-CD1 4.41Å; Y73-L117 HydrophobicContact CE1-CD2 3.83Å; Y73-L117 HydrophobicContact CE2-CD1 3.73Å; L117-I120 HydrophobicContact CB-CD1 4.17Å; L117-I120 HydrophobicContact CB-CG1 3.78Å; L117-I120 HydrophobicContact CD1-CD1 3.79Å; L117-I120 HydrophobicContact CD1-CG1 4.33Å; L117-D121 HydrophobicContact CB-CB 4.39Å; L117-D121 PolarHBondContact N-OD2 3.01Å; L117-D121 WeakPolarHBondContact O-CB 3.4Å; L117-D121 PolarHBondContact O-N 2.88Å
118P80.3Confident87.9Confident19 Ų1954.2 Ų54.212%0.12329%0.289CS..THydrogen-bonded Turntrans-60.7150.2173.425.6-32.9000110.4F86 V87 I120F86-P118 HydrophobicContact CD1-CB 3.82Å; F86-P118 HydrophobicContact CE1-CB 3.93Å; V87-P118 HydrophobicContact CG2-CG 4.15Å; P118-I120 PolarHBondContact O-N 3.46Å
119L81.4Confident88.2Confident175 Ų17558.4 Ų58.492%0.91630%0.298SS*.THydrogen-bonded Turntrans72.8-40.1-179.6-7067.6000116.6
120I88.3Confident88.6Confident22 Ų2259.3 Ų59.311%0.11331%0.309CS..THydrogen-bonded Turntrans-106-24.6-172.965.2169.1000115.2I69 V72 R101 L102 L117 P118I69-I120 HydrophobicContact CG1-CD1 4.49Å; V72-I120 HydrophobicContact CB-CD1 4.04Å; V72-I120 HydrophobicContact CG1-CD1 3.86Å; V72-I120 HydrophobicContact CG1-CG1 4.05Å; V72-I120 HydrophobicContact CG1-CG2 4.5Å; V72-I120 HydrophobicContact CG2-CD1 4.21Å; V72-I120 HydrophobicContact CG2-CG2 3.82Å; R101-I120 HydrophobicContact CG-CD1 4.42Å; L102-I120 HydrophobicContact CD2-CB 3.89Å; L102-I120 HydrophobicContact CD2-CG2 3.78Å; L102-I120 HydrophobicContact CG-CB 4.23Å; L102-I120 PolarHBondContact N-O 3.44Å; L117-I120 HydrophobicContact CB-CD1 4.17Å; L117-I120 HydrophobicContact CB-CG1 3.78Å; L117-I120 HydrophobicContact CD1-CD1 3.79Å; L117-I120 HydrophobicContact CD1-CG1 4.33Å; P118-I120 PolarHBondContact O-N 3.46Å
121D90.3Very high89.3Confident15 Ų1562.6 Ų62.68%0.0831%0.311CS..EExtended strand (participates in β ladder)trans-99.6116.8-179.7-69.2-9.5000109.3V99 F100 R101 V116 L117V99-D121 HydrophobicContact CG1-CB 3.84Å; F100-D121 CarbonylContact O-C 3.46Å; F100-D121 WeakPolarHBondContact O-CA 3.19Å; R101-D121 WeakPolarHBondContact CB-OD1 3.22Å; R101-D121 VanDerWaalsContact CG-OD1 3.27Å; R101-D121 WeakPolarHBondContact CG-OD1 3.21Å; R101-D121 IonicContact CZ-OD1 3.93Å; R101-D121 IonicContact NE-OD1 3.92Å; R101-D121 PolarHBondContact NE-OD1 3.49Å; R101-D121 IonicContact NE-OD2 3.91Å; R101-D121 IonicContact NH2-OD1 2.98Å; R101-D121 IonicContact NH2-OD2 3.96Å; V116-D121 HydrophobicContact CG1-CB 3.6Å; L117-D121 HydrophobicContact CB-CB 4.39Å; L117-D121 PolarHBondContact N-OD2 3.01Å; L117-D121 WeakPolarHBondContact O-CB 3.4Å; L117-D121 PolarHBondContact O-N 2.88Å
122Q89.4Confident89.7Confident138 Ų13863 Ų6365%0.64532%0.319SS*.EExtended strand (participates in β ladder)trans-91.9131.6164.3-178.4176.4-1.300108.2V99 F100V99-Q122 CarbonylContact C-O 3.58Å; V99-Q122 WeakPolarHBondContact CA-O 3.42Å; F100-Q122 HydrophobicContact CB-CB 4.31Å; F100-Q122 PolarHBondContact N-O 3.44Å; F100-Q122 PolarHBondContact O-N 3.3Å
123W90.5Very high89.9Confident87 Ų8762 Ų6233%0.3331%0.306SS..EExtended strand (participates in β ladder)trans-128143.8-176.164.3-82000111.2V97 V98 V99 V116 R125V97-W123 HydrophobicContact CG1-CB 3.86Å; V97-W123 HydrophobicContact CG1-CE3 4.4Å; V98-W123 WeakPolarHBondContact O-CA 3.43Å; V99-W123 HydrophobicContact CG2-CB 4.32Å; V116-W123 HydrophobicContact CG1-CB 4.14Å; V116-W123 HydrophobicContact CG1-CG 4.01Å; V116-W123 HydrophobicContact CG2-CB 4.45Å; V116-W123 HydrophobicContact CG2-CG 4.42Å; W123-R125 HydrophobicContact CE3-CG 4.09Å; W123-R125 HydrophobicContact CZ3-CG 3.65Å
124Q90.9Very high90.2Very high91 Ų9162 Ų6243%0.42530%0.303SS..EExtended strand (participates in β ladder)trans-132.6130.6177-176166-21.900109.8V97 V98 V165V97-Q124 WeakPolarHBondContact CA-O 3.28Å; V98-Q124 PolarHBondContact N-O 2.91Å; V98-Q124 PolarHBondContact O-N 2.98Å; Q124-V165 HydrophobicContact CG-CG2 4.33Å; Q124-V165 VanDerWaalsContact OE1-CG1 3.3Å
125R91.8Very high90.4Very high111 Ų11161.7 Ų61.742%0.41930%0.301SS..EExtended strand (participates in β ladder)trans-85.9128173.6-78.8168-169167.4-0.5109.3V97 W123V97-R125 HydrophobicContact CG2-CG 3.89Å; W123-R125 HydrophobicContact CE3-CG 4.09Å; W123-R125 HydrophobicContact CZ3-CG 3.65Å
126V92.9Very high90.6Very high8 Ų862.1 Ų62.15%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-118.1132.8174-175.40000107.9Q95 R96 V98 I158 P161 V165Q95-V126 CarbonylContact C-O 3.57Å; Q95-V126 VanDerWaalsContact CA-O 3.31Å; Q95-V126 WeakPolarHBondContact CA-O 3.23Å; R96-V126 PolarHBondContact N-O 3.47Å; R96-V126 PolarHBondContact O-N 3.41Å; V98-V126 HydrophobicContact CG2-CG2 4.15Å; V126-I158 HydrophobicContact CG1-CB 4.45Å; V126-I158 HydrophobicContact CG1-CD1 3.54Å; V126-I158 HydrophobicContact CG1-CG2 4Å; V126-P161 HydrophobicContact CB-CB 3.91Å; V126-P161 HydrophobicContact CG1-CB 4.03Å; V126-P161 HydrophobicContact CG2-CB 4.26Å; V126-V165 HydrophobicContact CG2-CG2 3.61Å
127D93.1Very high90.7Very high23 Ų2365.6 Ų65.612%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-94.2133.2177.4-169.4-3.6000109R129 R131D127-R129 WeakPolarHBondContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CG 3.45Å; D127-R129 PolarHBondContact OD1-N 2.85Å; D127-R131 IonicContact OD2-CZ 2.8Å; D127-R131 IonicContact OD2-NE 2.73Å; D127-R131 IonicContact OD2-NH2 2.62Å; D127-R131 PolarHBondContact OD2-NH2 3Å
128L91.9Very high90.8Very high49 Ų4966.5 Ų66.526%0.25734%0.337SS..  trans-94.4-4.4-177.6-58.4-179.3000113Y94 R96 I158 P161Y94-L128 PolarHBondContact O-N 2.89Å; R96-L128 HydrophobicContact CG-CD1 3.55Å; R96-L128 HydrophobicContact CG-CD2 4.19Å; R96-L128 HydrophobicContact CG-CG 4.01Å; L128-I158 HydrophobicContact CD2-CG2 4.35Å; L128-I158 WeakPolarHBondContact CD2-O 3.38Å; L128-P161 HydrophobicContact CD2-CB 4.36Å
129R94Very high91.3Very high134 Ų13472.7 Ų72.751%0.50636%0.364SS..SBendtrans-69.4151.4-180-67.7173172.6178.4-2.9111.3Y94 D127 R131Y94-R129 VanDerWaalsContact CB-NE 3.34Å; Y94-R129 VanDerWaalsContact CE1-NH2 3.25Å; Y94-R129 VanDerWaalsContact CG-NE 3.29Å; D127-R129 WeakPolarHBondContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CG 3.45Å; D127-R129 PolarHBondContact OD1-N 2.85Å; R129-R131 PolarHBondContact O-N 3.01Å
130T93.9Very high91.8Very high75 Ų7564.5 Ų64.546%0.4632%0.322SS..  trans-58.9130.5169.8-55.80000109.7Q155 F156 D222T130-Q155 HydrophobicContact CG2-CB 4.01Å; T130-F156 CarbonylContact C-O 3.59Å; T130-F156 WeakPolarHBondContact CA-O 3.45Å; T130-D222 VanDerWaalsContact CG2-OD2 3.23Å; T130-D222 WeakPolarHBondContact CG2-OD2 3.49Å; T130-D222 PolarHBondContact OG1-OD2 3.11Å
131R93.6Very high91.9Very high103 Ų10367.6 Ų67.639%0.38934%0.341SS..EExtended strand (participates in β ladder)trans-123148.6177.5-69.5175.9174.7-168.6-9.9108.7D127 R129 Q155 F156D127-R131 IonicContact OD2-CZ 2.8Å; D127-R131 IonicContact OD2-NE 2.73Å; D127-R131 IonicContact OD2-NH2 2.62Å; D127-R131 PolarHBondContact OD2-NH2 3Å; R129-R131 PolarHBondContact O-N 3.01Å; R131-Q155 WeakPolarHBondContact O-CA 3.33Å; R131-F156 HydrophobicContact CB-CE1 3.97Å; R131-F156 HydrophobicContact CB-CZ 3.97Å; R131-F156 PolarHBondContact N-O 3.12Å; R131-F156 VanDerWaalsContact O-CD1 3.29Å; R131-F156 WeakPolarHBondContact O-CD1 3.44Å; R131-F156 WeakPolarHBondContact O-CE1 3.12Å; R131-F156 PolarHBondContact O-N 3.19Å
132A93.3Very high92.1Very high63 Ų6367.2 Ų67.252%0.52134%0.339SS..EExtended strand (participates in β ladder)trans-109140.3173.100000109.9I154 Q155A132-I154 VanDerWaalsContact CA-O 3.29Å; A132-I154 WeakPolarHBondContact CA-O 3.48Å; A132-Q155 HydrophobicContact CB-CG 4.15Å
133F93.6Very high92.3Very high8 Ų869.8 Ų69.84%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-129.6146.4159.367.6-106.2000110.2I135 I154 F156 T175 R176F133-I135 HydrophobicContact CD2-CG1 4.11Å; F133-I135 HydrophobicContact CE2-CD1 4.13Å; F133-I135 HydrophobicContact CE2-CG1 3.73Å; F133-I154 HydrophobicContact CE1-CB 4.35Å; F133-I154 HydrophobicContact CE1-CG2 4.41Å; F133-I154 HydrophobicContact CE2-CB 4Å; F133-I154 HydrophobicContact CE2-CD1 4.03Å; F133-I154 HydrophobicContact CE2-CG1 4.25Å; F133-I154 HydrophobicContact CZ-CB 3.84Å; F133-I154 HydrophobicContact CZ-CD1 4Å; F133-I154 HydrophobicContact CZ-CG1 4.37Å; F133-I154 HydrophobicContact CZ-CG2 4.09Å; F133-I154 PolarHBondContact N-O 3.27Å; F133-I154 PolarHBondContact O-N 2.86Å; F133-F156 AromaticContact CD1-CD1 3.76Å; F133-F156 HydrophobicContact CD1-CD1 3.76Å; F133-F156 AromaticContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CZ 4.05Å; F133-F156 AromaticContact CE1-CD1 3.66Å; F133-F156 HydrophobicContact CE1-CD1 3.66Å; F133-F156 AromaticContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CZ 4.35Å; F133-F156 HydrophobicContact CG-CE1 4.4Å; F133-T175 HydrophobicContact CE1-CG2 3.65Å; F133-T175 HydrophobicContact CZ-CG2 3.69Å; F133-R176 HydrophobicContact CD1-CG 4.48Å; F133-R176 HydrophobicContact CD2-CG 3.43Å; F133-R176 VanDerWaalsContact CD2-CG 3.43Å; F133-R176 HydrophobicContact CE2-CB 4.37Å; F133-R176 HydrophobicContact CE2-CG 3.59Å; F133-R176 HydrophobicContact CG-CG 3.97Å; F133-R176 HydrophobicContact CZ-CG 4.25Å
134N93Very high92.4Very high92 Ų9269.7 Ų69.749%0.49235%0.349SS..EExtended strand (participates in β ladder)trans-95.5134.8174.5-172-14000110.1A152N134-A152 PolarHBondContact OD1-O 3.28Å
135I93.3Very high92.2Very high2 Ų267.9 Ų67.91%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-91.4122.2169.9-58.1175.1000108.1F133 G151 A152 I154 A179 Q180F133-I135 HydrophobicContact CD2-CG1 4.11Å; F133-I135 HydrophobicContact CE2-CD1 4.13Å; F133-I135 HydrophobicContact CE2-CG1 3.73Å; I135-G151 WeakPolarHBondContact O-CA 3.4Å; I135-A152 HydrophobicContact CD1-CB 4.35Å; I135-A152 PolarHBondContact N-O 2.86Å; I135-I154 HydrophobicContact CD1-CD1 3.63Å; I135-I154 HydrophobicContact CD1-CG1 4.29Å; I135-A179 HydrophobicContact CD1-CB 3.44Å; I135-A179 VanDerWaalsContact CD1-CB 3.44Å; I135-Q180 HydrophobicContact CG2-CB 4.18Å; I135-Q180 HydrophobicContact CG2-CG 4.44Å
136P91.3Very high92Very high79 Ų7963.3 Ų63.351%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-57.3143.1-179.525.8-34.4000110.8C138P136-C138 PolarHBondContact O-N 3.13Å; P136-C138 PolarHBondContact O-SG 2.85Å
137P90.8Very high91.9Very high80 Ų8066.1 Ų66.152%0.51936%0.359SS..EExtended strand (participates in β ladder)trans-56.3124.1179.3-25.433.8000111.8
138C89.2Confident91.8Very high22 Ų2265.6 Ų65.615%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-111.2144.3178.6-64.10000110.1P136 V140 L149 V150 Q180P136-C138 PolarHBondContact O-N 3.13Å; P136-C138 PolarHBondContact O-SG 2.85Å; C138-V140 PolarHBondContact O-N 3.46Å; C138-L149 WeakPolarHBondContact O-CA 3.37Å; C138-V150 PolarHBondContact N-O 3.18Å; C138-V150 PolarHBondContact O-N 3.39Å; C138-Q180 PolarHBondContact SG-NE2 3.01Å
139Q91.4Very high91.8Very high149 Ų14966 Ų6670%0.69636%0.359SS*.EExtended strand (participates in β ladder)trans-78.3120.1174.1-173.5177.240.900109.1V147 L149Q139-V147 HydrophobicContact CG-CG1 3.46Å; Q139-V147 VanDerWaalsContact CG-CG1 3.46Å; Q139-L149 HydrophobicContact CB-CD2 4.29Å
140V91.2Very high91.7Very high4 Ų459.6 Ų59.62%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-122.3136.1179.3-175.80000109.5C138 L148 T184 L187C138-V140 PolarHBondContact O-N 3.46Å; V140-L148 HydrophobicContact CB-CD1 4.16Å; V140-L148 PolarHBondContact N-O 2.83Å; V140-L148 PolarHBondContact O-N 3Å; V140-T184 HydrophobicContact CG1-CG2 4.33Å; V140-T184 HydrophobicContact CG2-CG2 4.29Å; V140-L187 HydrophobicContact CG1-CB 3.91Å; V140-L187 HydrophobicContact CG2-CD1 4.4Å
141V91.9Very high91.7Very high86 Ų8656.1 Ų56.152%0.52131%0.313SS..EExtended strand (participates in β ladder)trans-94.4124.2173.6-173.20000108.6G146 V147 S188V141-G146 CarbonylContact C-O 3.58Å; V141-G146 WeakPolarHBondContact CA-O 3.28Å; V141-V147 HydrophobicContact CG2-CG2 4.38Å; V141-S188 WeakPolarHBondContact O-CA 3.3Å
142T93.5Very high91.7Very high7 Ų751.2 Ų51.24%0.04330%0.295CS..  trans-86.1171.1179.552.10000112.2D144 G145 G146 L148 K190 I192 I195T142-D144 WeakPolarHBondContact CB-OD1 3.43Å; T142-D144 PolarHBondContact O-N 3.46Å; T142-D144 PolarHBondContact OG1-OD1 3.14Å; T142-G145 PolarHBondContact O-N 2.9Å; T142-G146 PolarHBondContact N-O 3.06Å; T142-G146 VanDerWaalsContact OG1-CA 3.31Å; T142-G146 WeakPolarHBondContact OG1-CA 3.3Å; T142-G146 PolarHBondContact OG1-N 3.27Å; T142-G146 PolarHBondContact OG1-O 2.66Å; T142-L148 HydrophobicContact CG2-CD2 3.32Å; T142-L148 HydrophobicContact CG2-CG 4.08Å; T142-K190 VanDerWaalsContact CB-O 3.28Å; T142-K190 WeakPolarHBondContact CB-O 3.47Å; T142-I192 HydrophobicContact CG2-CG1 4.03Å; T142-I192 WeakPolarHBondContact OG1-CG1 3.34Å; T142-I195 HydrophobicContact CG2-CD1 3.64Å
143R92.9Very high91.8Very high192 Ų19250 Ų5073%0.72528%0.279SS*.THydrogen-bonded Turntrans-58-32.9-178.9-177.9-179.4174.6-171.3-1.3113.5G145 S188 K190R143-G145 VanDerWaalsContact C-N 3.25Å; R143-G145 PolarHBondContact O-N 3.34Å; R143-S188 PolarHBondContact N-O 3.39Å; R143-K190 PolarHBondContact N-O 2.88Å
144D92.9Very high91.9Very high85 Ų8549.6 Ų49.646%0.45528%0.278SS..THydrogen-bonded Turntrans-83.78.1178.556.6-31.1000113.8T142 G146 T191 I192T142-D144 WeakPolarHBondContact CB-OD1 3.43Å; T142-D144 PolarHBondContact O-N 3.46Å; T142-D144 PolarHBondContact OG1-OD1 3.14Å; D144-G146 PolarHBondContact O-N 3.33Å; D144-T191 HydrophobicContact CB-CG2 3.98Å; D144-T191 VanDerWaalsContact CG-CG2 3.49Å; D144-T191 VanDerWaalsContact OD2-CG2 3.26Å; D144-T191 WeakPolarHBondContact OD2-CG2 3.37Å; D144-I192 PolarHBondContact OD1-N 2.83Å
145G87.8Confident92Very high54 Ų5448 Ų4856%0.55727%0.268SS*.SBendtrans758.1-177.600000113.6T142 R143T142-G145 PolarHBondContact O-N 2.9Å; R143-G145 VanDerWaalsContact C-N 3.25Å; R143-G145 PolarHBondContact O-N 3.34Å
146G87.7Confident92.1Very high15 Ų1548.2 Ų48.216%0.15527%0.268CS..  trans-70.1146.317300000111.8V141 T142 D144V141-G146 CarbonylContact C-O 3.58Å; V141-G146 WeakPolarHBondContact CA-O 3.28Å; T142-G146 PolarHBondContact N-O 3.06Å; T142-G146 VanDerWaalsContact OG1-CA 3.31Å; T142-G146 WeakPolarHBondContact OG1-CA 3.3Å; T142-G146 PolarHBondContact OG1-N 3.27Å; T142-G146 PolarHBondContact OG1-O 2.66Å; D144-G146 PolarHBondContact O-N 3.33Å
147V90.3Very high92.3Very high66 Ų6648.8 Ų48.840%0.426%0.26SS..EExtended strand (participates in β ladder)trans-117.4118.9-179.6-178.20000108.6Q139 V141 L231Q139-V147 HydrophobicContact CG-CG1 3.46Å; Q139-V147 VanDerWaalsContact CG-CG1 3.46Å; V141-V147 HydrophobicContact CG2-CG2 4.38Å; V147-L231 WeakPolarHBondContact O-CD2 3.34Å
148L90.2Very high92.5Very high13 Ų1345.4 Ų45.47%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-127.7146-17955.989.5000111.1V140 T142 V150 L187 I192 I195 L231V140-L148 HydrophobicContact CB-CD1 4.16Å; V140-L148 PolarHBondContact N-O 2.83Å; V140-L148 PolarHBondContact O-N 3Å; T142-L148 HydrophobicContact CG2-CD2 3.32Å; T142-L148 HydrophobicContact CG2-CG 4.08Å; L148-V150 HydrophobicContact CD1-CB 3.84Å; L148-V150 HydrophobicContact CD1-CG2 3.18Å; L148-V150 HydrophobicContact CG-CG2 4.43Å; L148-L187 HydrophobicContact CD1-CD1 4.41Å; L148-I192 HydrophobicContact CD2-CG1 4.1Å; L148-I195 HydrophobicContact CD2-CD1 3.9Å; L148-L231 HydrophobicContact CB-CD2 4.43Å
149L92Very high92.5Very high57 Ų5749.9 Ų49.930%0.29825%0.252SS..EExtended strand (participates in β ladder)trans-94.6115.8171.1-80.6155000107.7C138 Q139 G229C138-L149 WeakPolarHBondContact O-CA 3.37Å; Q139-L149 HydrophobicContact CB-CD2 4.29Å; L149-G229 PolarHBondContact O-N 3.49Å
150V92.3Very high92.5Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-129.5131.3178.2170.80000111.1C138 L148 L183 L187 L226 T227 F228C138-V150 PolarHBondContact N-O 3.18Å; C138-V150 PolarHBondContact O-N 3.39Å; L148-V150 HydrophobicContact CD1-CB 3.84Å; L148-V150 HydrophobicContact CD1-CG2 3.18Å; L148-V150 HydrophobicContact CG-CG2 4.43Å; V150-L183 HydrophobicContact CG1-CD1 4.05Å; V150-L183 HydrophobicContact CG1-CD2 4.11Å; V150-L183 HydrophobicContact CG1-CG 4.45Å; V150-L187 HydrophobicContact CB-CD1 3.9Å; V150-L187 HydrophobicContact CG1-CD1 3.71Å; V150-L187 HydrophobicContact CG2-CD1 4.36Å; V150-L226 HydrophobicContact CG1-CD2 4.35Å; V150-T227 WeakPolarHBondContact CA-O 3.27Å; V150-F228 HydrophobicContact CG2-CD1 3.28Å; V150-F228 HydrophobicContact CG2-CE1 3.59Å; V150-F228 HydrophobicContact CG2-CG 4.25Å
151G93.5Very high92.5Very high1 Ų143.5 Ų43.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-112.8179.616400000110.4I135 T227I135-G151 WeakPolarHBondContact O-CA 3.4Å; G151-T227 PolarHBondContact N-O 3.26Å; G151-T227 PolarHBondContact O-N 3.06Å; G151-T227 VanDerWaalsContact O-O 3.12Å
152A94.4Very high92.4Very high0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-150.9147.3173.700000110.8N134 I135 L183 V224 E225 L226N134-A152 PolarHBondContact OD1-O 3.28Å; I135-A152 HydrophobicContact CD1-CB 4.35Å; I135-A152 PolarHBondContact N-O 2.86Å; A152-L183 HydrophobicContact CB-CD1 3.68Å; A152-V224 HydrophobicContact CB-CG1 4.45Å; A152-E225 CarbonylContact C-O 3.33Å; A152-E225 WeakPolarHBondContact CA-O 3.38Å; A152-E225 WeakPolarHBondContact CB-O 3.43Å; A152-L226 HydrophobicContact CB-CD2 4.11Å
153D95.3Very high92.1Very high37 Ų3740.6 Ų40.620%0.19820%0.203CC..EExtended strand (participates in β ladder)trans-101.4127.5166.3-169.362.7000108.9E225D153-E225 HydrophobicContact CB-CB 4.49Å; D153-E225 PolarHBondContact N-O 2.9Å; D153-E225 PolarHBondContact O-N 3.46Å
154I95.7Very high92Very high1 Ų131.9 Ų31.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-119.5122.7-176.9-58.9-173.7000109.2A132 F133 I135 A179 I210 V221 V224A132-I154 VanDerWaalsContact CA-O 3.29Å; A132-I154 WeakPolarHBondContact CA-O 3.48Å; F133-I154 HydrophobicContact CE1-CB 4.35Å; F133-I154 HydrophobicContact CE1-CG2 4.41Å; F133-I154 HydrophobicContact CE2-CB 4Å; F133-I154 HydrophobicContact CE2-CD1 4.03Å; F133-I154 HydrophobicContact CE2-CG1 4.25Å; F133-I154 HydrophobicContact CZ-CB 3.84Å; F133-I154 HydrophobicContact CZ-CD1 4Å; F133-I154 HydrophobicContact CZ-CG1 4.37Å; F133-I154 HydrophobicContact CZ-CG2 4.09Å; F133-I154 PolarHBondContact N-O 3.27Å; F133-I154 PolarHBondContact O-N 2.86Å; I135-I154 HydrophobicContact CD1-CD1 3.63Å; I135-I154 HydrophobicContact CD1-CG1 4.29Å; I154-A179 HydrophobicContact CD1-CB 3.34Å; I154-I210 HydrophobicContact CD1-CD1 3.81Å; I154-V221 HydrophobicContact CG2-CG1 4Å; I154-V224 HydrophobicContact CG1-CG1 4.24Å; I154-V224 HydrophobicContact CG1-CG2 4.29Å; I154-V224 HydrophobicContact CG2-CG2 4.4Å
155Q95.8Very high91.9Very high59 Ų5929 Ų2928%0.27616%0.157SC..EExtended strand (participates in β ladder)trans-99.7124.1173.1-63.2178.311.500109T130 R131 A132 D222 R223T130-Q155 HydrophobicContact CG2-CB 4.01Å; R131-Q155 WeakPolarHBondContact O-CA 3.33Å; A132-Q155 HydrophobicContact CB-CG 4.15Å; Q155-D222 PolarHBondContact O-N 3.44Å; Q155-R223 HydrophobicContact CB-CB 4.27Å; Q155-R223 PolarHBondContact N-O 2.99Å; Q155-R223 PolarHBondContact O-N 3.34Å
156F95.2Very high91.8Very high5 Ų529.2 Ų29.22%0.02215%0.148CC..EExtended strand (participates in β ladder)trans-141.7155.4-178.369.5-78000110.2T130 R131 F133 L219 E220T130-F156 CarbonylContact C-O 3.59Å; T130-F156 WeakPolarHBondContact CA-O 3.45Å; R131-F156 HydrophobicContact CB-CE1 3.97Å; R131-F156 HydrophobicContact CB-CZ 3.97Å; R131-F156 PolarHBondContact N-O 3.12Å; R131-F156 VanDerWaalsContact O-CD1 3.29Å; R131-F156 WeakPolarHBondContact O-CD1 3.44Å; R131-F156 WeakPolarHBondContact O-CE1 3.12Å; R131-F156 PolarHBondContact O-N 3.19Å; F133-F156 AromaticContact CD1-CD1 3.76Å; F133-F156 HydrophobicContact CD1-CD1 3.76Å; F133-F156 AromaticContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CZ 4.05Å; F133-F156 AromaticContact CE1-CD1 3.66Å; F133-F156 HydrophobicContact CE1-CD1 3.66Å; F133-F156 AromaticContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CZ 4.35Å; F133-F156 HydrophobicContact CG-CE1 4.4Å; F156-L219 HydrophobicContact CD2-CD2 3.37Å; F156-L219 HydrophobicContact CD2-CG 4.45Å; F156-L219 HydrophobicContact CE2-CD2 3.59Å; F156-L219 HydrophobicContact CG-CD2 4.31Å; F156-E220 CarbonylContact C-O 3.56Å; F156-E220 VanDerWaalsContact CA-O 3.26Å; F156-E220 WeakPolarHBondContact CA-O 3.36Å; F156-E220 WeakPolarHBondContact CB-O 3.48Å
157R94.7Very high91.8Very high91 Ų9130.9 Ų30.934%0.34316%0.157SC..EExtended strand (participates in β ladder)trans-129.3150.7174.164.4-173.8176.4104.72.2110.6L219 E220 D222R157-L219 WeakPolarHBondContact O-CA 3.5Å; R157-E220 HydrophobicContact CG-CB 4.2Å; R157-E220 IonicContact CZ-OE1 2.85Å; R157-E220 IonicContact CZ-OE2 3.51Å; R157-E220 PolarHBondContact N-O 3.33Å; R157-E220 IonicContact NE-OE2 2.88Å; R157-E220 IonicContact NH1-OE2 3.58Å; R157-E220 IonicContact NH2-OE1 3.79Å; R157-E220 PolarHBondContact NH2-OE1 3.47Å; R157-E220 IonicContact NH2-OE2 3.5Å; R157-E220 PolarHBondContact NH2-OE2 3.19Å; R157-E220 PolarHBondContact O-N 3.23Å; R157-D222 VanDerWaalsContact CD-OD1 3.3Å; R157-D222 WeakPolarHBondContact CD-OD1 3.47Å; R157-D222 WeakPolarHBondContact CD-OD2 3.47Å; R157-D222 IonicContact NE-OD1 3.31Å; R157-D222 PolarHBondContact NE-OD1 2.63Å
158I94.8Very high91.6Very high10 Ų1028.6 Ų28.65%0.05114%0.143CC..EExtended strand (participates in β ladder)trans-88.6117.1176.8-63.3170.2000107.8V126 L128 L171V126-I158 HydrophobicContact CG1-CB 4.45Å; V126-I158 HydrophobicContact CG1-CD1 3.54Å; V126-I158 HydrophobicContact CG1-CG2 4Å; L128-I158 HydrophobicContact CD2-CG2 4.35Å; L128-I158 WeakPolarHBondContact CD2-O 3.38Å; I158-L171 HydrophobicContact CD1-CD2 3.81Å; I158-L171 HydrophobicContact CG1-CD2 4.18Å
159W89.7Confident91.4Very high115 Ų11537.2 Ų37.244%0.43618%0.183SC..SBendtrans-88-38.1176.380.3-98.3000111.3G218W159-G218 PolarHBondContact N-O 3.15Å
160N90.8Very high91.3Very high9 Ų939.9 Ų39.95%0.04820%0.198CC..  trans-119.8106.8178.2-167.2-36.9000111.1V162 M163 S164 G218N160-V162 VanDerWaalsContact C-N 3.28Å; N160-V162 PolarHBondContact O-N 3.47Å; N160-V162 WeakPolarHBondContact OD1-CB 3.3Å; N160-V162 PolarHBondContact OD1-N 2.87Å; N160-M163 HydrophobicContact CB-CB 4.08Å; N160-M163 HydrophobicContact CB-CG 4.19Å; N160-M163 PolarHBondContact O-N 3.45Å; N160-M163 PolarHBondContact OD1-N 2.91Å; N160-S164 PolarHBondContact O-N 2.94Å; N160-G218 PolarHBondContact N-O 2.92Å
161P91.2Very high91.2Very high11 Ų1140.8 Ų40.87%0.07120%0.202CC..Hα-helixtrans-67.7-28.5-178.228.9-36000112.7R96 V98 P108 V126 L128 V165R96-P161 HydrophobicContact CB-CB 3.97Å; R96-P161 HydrophobicContact CB-CG 3.86Å; R96-P161 HydrophobicContact CG-CG 4.16Å; V98-P161 HydrophobicContact CG2-CB 4Å; V98-P161 WeakPolarHBondContact CG2-O 3.48Å; P108-P161 HydrophobicContact CB-CG 3.94Å; V126-P161 HydrophobicContact CB-CB 3.91Å; V126-P161 HydrophobicContact CG1-CB 4.03Å; V126-P161 HydrophobicContact CG2-CB 4.26Å; L128-P161 HydrophobicContact CD2-CB 4.36Å; P161-V165 WeakPolarHBondContact O-CG2 3.42Å
162V89.8Confident91Very high0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-70.3-49.3179.9-179.80000110.4I47 F52 V98 V105 P108 N160 S164 V165 V166I47-V162 HydrophobicContact CG2-CG1 4.12Å; F52-V162 HydrophobicContact CE1-CB 4.49Å; F52-V162 HydrophobicContact CE1-CG1 4.13Å; F52-V162 HydrophobicContact CE1-CG2 4.09Å; F52-V162 HydrophobicContact CZ-CG2 4.31Å; V98-V162 HydrophobicContact CG2-CG2 4.4Å; V105-V162 HydrophobicContact CG2-CG1 3.44Å; V105-V162 VanDerWaalsContact CG2-CG1 3.44Å; P108-V162 HydrophobicContact CB-CG2 3.91Å; P108-V162 HydrophobicContact CG-CG2 3.91Å; N160-V162 VanDerWaalsContact C-N 3.28Å; N160-V162 PolarHBondContact O-N 3.47Å; N160-V162 WeakPolarHBondContact OD1-CB 3.3Å; N160-V162 PolarHBondContact OD1-N 2.87Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.85Å; V162-V165 PolarHBondContact O-N 2.85Å; V162-V165 VanDerWaalsContact O-N 3.13Å; V162-V166 HydrophobicContact CG1-CG2 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 2.92Å
163M88.1Confident90.9Very high31 Ų3147 Ų4715%0.15324%0.244CC..Hα-helixtrans-59.3-40.2178.2-72.8-63.4-94.900111.7I47 N160 V165 V166 S167 P216 W217I47-M163 HydrophobicContact CB-CE 4.39Å; I47-M163 HydrophobicContact CB-CG 4.43Å; I47-M163 HydrophobicContact CB-SD 3.35Å; I47-M163 WeakPolarHBondContact CB-SD 3.2Å; I47-M163 HydrophobicContact CD1-SD 3.6Å; I47-M163 VanDerWaalsContact CD1-SD 3.6Å; I47-M163 HydrophobicContact CG1-SD 4.07Å; I47-M163 HydrophobicContact CG2-CG 3.66Å; I47-M163 HydrophobicContact CG2-SD 3.18Å; I47-M163 WeakPolarHBondContact CG2-SD 3.36Å; N160-M163 HydrophobicContact CB-CB 4.08Å; N160-M163 HydrophobicContact CB-CG 4.19Å; N160-M163 PolarHBondContact O-N 3.45Å; N160-M163 PolarHBondContact OD1-N 2.91Å; M163-V165 PolarHBondContact O-N 3.17Å; M163-V165 VanDerWaalsContact O-N 3.14Å; M163-V166 PolarHBondContact O-N 3.04Å; M163-S167 WeakPolarHBondContact O-CB 3.35Å; M163-S167 PolarHBondContact O-N 2.91Å; M163-S167 PolarHBondContact O-OG 2.97Å; M163-P216 WeakPolarHBondContact CE-O 3.02Å; M163-W217 CarbonylContact C-O 3.5Å
164S90.6Very high90.8Very high10 Ų1047.2 Ų47.27%0.0725%0.247CC..Hα-helixtrans-59.8-25178.6172.50000114.4N160 V162 L171 W217N160-S164 PolarHBondContact O-N 2.94Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.85Å; S164-L171 VanDerWaalsContact OG-CD2 3.3Å; S164-L171 WeakPolarHBondContact OG-CD2 3.35Å; S164-W217 WeakPolarHBondContact CA-O 3.5Å; S164-W217 PolarHBondContact N-O 3.48Å; S164-W217 VanDerWaalsContact N-O 3.11Å
165V89.8Confident90.7Very high24 Ų2447.2 Ų47.215%0.14525%0.247CC..Hα-helixtrans-99.1-34.3-179.3-179.20000111.7V98 F100 Q124 V126 P161 V162 M163V98-V165 HydrophobicContact CB-CG2 4.49Å; V98-V165 HydrophobicContact CG2-CG2 4.16Å; F100-V165 HydrophobicContact CE2-CG1 3.73Å; F100-V165 HydrophobicContact CZ-CB 4.41Å; F100-V165 HydrophobicContact CZ-CG1 3.71Å; Q124-V165 HydrophobicContact CG-CG2 4.33Å; Q124-V165 VanDerWaalsContact OE1-CG1 3.3Å; V126-V165 HydrophobicContact CG2-CG2 3.61Å; P161-V165 WeakPolarHBondContact O-CG2 3.42Å; V162-V165 PolarHBondContact O-N 2.85Å; V162-V165 VanDerWaalsContact O-N 3.13Å; M163-V165 PolarHBondContact O-N 3.17Å; M163-V165 VanDerWaalsContact O-N 3.14Å
166V87.4Confident90.6Very high59 Ų5949.6 Ų49.636%0.35825%0.254SS..Hα-helixtrans-86.6-34.6-174179.50000112.5I47 F100 V105 V162 M163I47-V166 HydrophobicContact CD1-CB 4.09Å; I47-V166 HydrophobicContact CD1-CG1 3.7Å; F100-V166 HydrophobicContact CE1-CG2 3.82Å; F100-V166 HydrophobicContact CZ-CG2 3.9Å; V105-V166 HydrophobicContact CG2-CG2 4.43Å; V162-V166 HydrophobicContact CG1-CG2 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 2.92Å; M163-V166 PolarHBondContact O-N 3.04Å
167S86.2Confident90.5Very high49 Ų4954.6 Ų54.634%0.34328%0.279SS..SBendtrans-77.1-33.3-172.863.80000113.9M163 W217M163-S167 WeakPolarHBondContact O-CB 3.35Å; M163-S167 PolarHBondContact O-N 2.91Å; M163-S167 PolarHBondContact O-OG 2.97Å; S167-W217 VanDerWaalsContact OG-CA 3.3Å; S167-W217 WeakPolarHBondContact OG-CA 3.47Å
168V87.4Confident90.5Very high19 Ų1951.5 Ų51.512%0.11527%0.27CS..  trans-142.5136.8-172.5178.80000109.1S174 W217V168-S174 WeakPolarHBondContact CG1-OG 3.35Å; V168-W217 HydrophobicContact CG2-CB 4.33Å; V168-W217 VanDerWaalsContact CG2-CD1 3.42Å; V168-W217 HydrophobicContact CG2-CD2 3.73Å; V168-W217 HydrophobicContact CG2-CG 3.6Å; V168-W217 HydrophobicContact CG2-CZ2 4.31Å
169Q84.2Confident90.5Very high193 Ų19351 Ų5190%0.90227%0.267SS*.SBendtrans-65.9-61.7176.2-65.4-179.319.900111.3
170D90.3Very high90.7Very high113 Ų11348.4 Ų48.460%0.60426%0.26SS*.  trans-109.188.3179.5-81.4-42.8000111.4N172 A173 S174D170-N172 VanDerWaalsContact C-N 3.33Å; D170-N172 PolarHBondContact O-N 3.36Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 PolarHBondContact O-N 3.48Å; D170-S174 PolarHBondContact O-N 3.37Å; D170-S174 PolarHBondContact O-OG 3.46Å
171L89.7Confident90.9Very high19 Ų1952.6 Ų52.610%0.09928%0.282CS..Hα-helixtrans-49.5-52.1-179.2-162.678.9000112.2I158 S164 A173 S174 T175 W217 L219I158-L171 HydrophobicContact CD1-CD2 3.81Å; I158-L171 HydrophobicContact CG1-CD2 4.18Å; S164-L171 VanDerWaalsContact OG-CD2 3.3Å; S164-L171 WeakPolarHBondContact OG-CD2 3.35Å; L171-A173 PolarHBondContact O-N 3.2Å; L171-S174 PolarHBondContact O-N 2.85Å; L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 3.31Å; L171-T175 PolarHBondContact O-OG1 2.99Å; L171-W217 HydrophobicContact CD1-CB 4.32Å; L171-L219 HydrophobicContact CD1-CD1 3.54Å; L171-L219 HydrophobicContact CD1-CD2 4.13Å; L171-L219 HydrophobicContact CD1-CG 4.09Å; L171-L219 HydrophobicContact CD2-CD1 4.42Å; L171-L219 HydrophobicContact CD2-CD2 3.57Å; L171-L219 HydrophobicContact CD2-CG 4.05Å; L171-L219 HydrophobicContact CG-CD1 4.16Å; L171-L219 HydrophobicContact CG-CD2 3.8Å; L171-L219 HydrophobicContact CG-CG 4.29Å
172N90.9Very high91Very high77 Ų7752.2 Ų52.241%0.41228%0.28SS..Hα-helixtrans-64.3-38.8-175.9-66.8-28.5000112.6D170 R176D170-N172 VanDerWaalsContact C-N 3.33Å; D170-N172 PolarHBondContact O-N 3.36Å; N172-R176 WeakPolarHBondContact O-CB 3.11Å; N172-R176 WeakPolarHBondContact O-CD 3.21Å; N172-R176 WeakPolarHBondContact O-CG 3.3Å; N172-R176 PolarHBondContact O-N 3.07Å; N172-R176 VanDerWaalsContact O-N 3.09Å
173A92.2Very high91.2Very high56 Ų5652.2 Ų52.246%0.46328%0.28SS..Hα-helixtrans-72.4-45-178.700000110.8D170 L171 R176 M177D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 PolarHBondContact O-N 3.48Å; L171-A173 PolarHBondContact O-N 3.2Å; A173-R176 PolarHBondContact O-N 3.39Å; A173-M177 PolarHBondContact O-N 2.91Å
174S92.9Very high91.4Very high40 Ų4053.2 Ų53.228%0.2829%0.288SS..Hα-helixtrans-64.6-43.2177.4-61.90000112.1V168 D170 L171 R176 M177 T178V168-S174 WeakPolarHBondContact CG1-OG 3.35Å; D170-S174 PolarHBondContact O-N 3.37Å; D170-S174 PolarHBondContact O-OG 3.46Å; L171-S174 PolarHBondContact O-N 2.85Å; S174-R176 PolarHBondContact O-N 3.37Å; S174-M177 PolarHBondContact O-N 3.07Å; S174-T178 PolarHBondContact O-N 3.11Å; S174-T178 PolarHBondContact O-OG1 2.8Å
175T92.8Very high91.6Very high1 Ų157.1 Ų57.11%0.00631%0.305CS..Hα-helixtrans-64.3-39.9176-51.60000111.9F133 L171 T178 A179 T214F133-T175 HydrophobicContact CE1-CG2 3.65Å; F133-T175 HydrophobicContact CZ-CG2 3.69Å; L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 3.31Å; L171-T175 PolarHBondContact O-OG1 2.99Å; T175-T178 PolarHBondContact O-N 3.22Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 2.68Å; T175-T214 HydrophobicContact CG2-CG2 4.06Å
176R94.1Very high91.7Very high110 Ų11056.4 Ų56.442%0.41530%0.301SS..Hα-helixtrans-59.8-46.5174-78.4170.6-170.4-140.75.7112.1F133 N172 A173 S174 A179 Q180F133-R176 HydrophobicContact CD1-CG 4.48Å; F133-R176 HydrophobicContact CD2-CG 3.43Å; F133-R176 VanDerWaalsContact CD2-CG 3.43Å; F133-R176 HydrophobicContact CE2-CB 4.37Å; F133-R176 HydrophobicContact CE2-CG 3.59Å; F133-R176 HydrophobicContact CG-CG 3.97Å; F133-R176 HydrophobicContact CZ-CG 4.25Å; N172-R176 WeakPolarHBondContact O-CB 3.11Å; N172-R176 WeakPolarHBondContact O-CD 3.21Å; N172-R176 WeakPolarHBondContact O-CG 3.3Å; N172-R176 PolarHBondContact O-N 3.07Å; N172-R176 VanDerWaalsContact O-N 3.09Å; A173-R176 PolarHBondContact O-N 3.39Å; S174-R176 PolarHBondContact O-N 3.37Å; R176-A179 PolarHBondContact O-N 3.27Å; R176-Q180 VanDerWaalsContact O-CB 3.32Å; R176-Q180 WeakPolarHBondContact O-CB 3.35Å; R176-Q180 PolarHBondContact O-N 3.02Å
177M93.6Very high91.9Very high109 Ų10953.7 Ų53.754%0.53728%0.284SS..Hα-helixtrans-64-46.4179.4-174.764.8120.700111.8A173 S174 A179 Q180 N181A173-M177 PolarHBondContact O-N 2.91Å; S174-M177 PolarHBondContact O-N 3.07Å; M177-A179 PolarHBondContact O-N 3.3Å; M177-Q180 PolarHBondContact O-N 2.91Å; M177-N181 WeakPolarHBondContact O-CB 2.98Å; M177-N181 PolarHBondContact O-N 2.95Å
178T93.8Very high92.2Very high26 Ų2653.5 Ų53.516%0.1628%0.283CS..Hα-helixtrans-61.4-45177.3-680000111.7S174 T175 N181 A182 M213 W217S174-T178 PolarHBondContact O-N 3.11Å; S174-T178 PolarHBondContact O-OG1 2.8Å; T175-T178 PolarHBondContact O-N 3.22Å; T178-N181 PolarHBondContact O-N 2.95Å; T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 3.32Å; T178-M213 HydrophobicContact CG2-CB 3.93Å; T178-M213 HydrophobicContact CG2-CG 4.48Å; T178-M213 HydrophobicContact CG2-SD 3.73Å; T178-W217 VanDerWaalsContact OG1-CH2 3.28Å; T178-W217 WeakPolarHBondContact OG1-CH2 3.43Å
179A94.3Very high92.5Very high0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-65.8-39.1178.300000112.7I135 I154 T175 R176 M177 N181 A182 L183 I210I135-A179 HydrophobicContact CD1-CB 3.44Å; I135-A179 VanDerWaalsContact CD1-CB 3.44Å; I154-A179 HydrophobicContact CD1-CB 3.34Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 2.68Å; R176-A179 PolarHBondContact O-N 3.27Å; M177-A179 PolarHBondContact O-N 3.3Å; A179-N181 VanDerWaalsContact C-N 3.34Å; A179-N181 PolarHBondContact O-N 3.13Å; A179-A182 PolarHBondContact O-N 3.5Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3Å; A179-I210 HydrophobicContact CB-CD1 3.77Å; A179-I210 HydrophobicContact CB-CG1 4.45Å
180Q94.7Very high93Very high61 Ų6151.3 Ų51.329%0.28527%0.269SS..Hα-helixtrans-61.3-42.6174.1-177.3-178.54.200111.6I135 C138 R176 M177 T184I135-Q180 HydrophobicContact CG2-CB 4.18Å; I135-Q180 HydrophobicContact CG2-CG 4.44Å; C138-Q180 PolarHBondContact SG-NE2 3.01Å; R176-Q180 VanDerWaalsContact O-CB 3.32Å; R176-Q180 WeakPolarHBondContact O-CB 3.35Å; R176-Q180 PolarHBondContact O-N 3.02Å; M177-Q180 PolarHBondContact O-N 2.91Å; Q180-T184 WeakPolarHBondContact O-CB 3.25Å; Q180-T184 PolarHBondContact O-N 3.23Å; Q180-T184 PolarHBondContact O-OG1 2.95Å
181N94.2Very high93.1Very high96 Ų9647.5 Ų47.551%0.51325%0.25SS..Hα-helixtrans-65.6-46.8176.6-73.3-13000111.6M177 T178 A179 L183 T184 H185M177-N181 WeakPolarHBondContact O-CB 2.98Å; M177-N181 PolarHBondContact O-N 2.95Å; T178-N181 PolarHBondContact O-N 2.95Å; A179-N181 VanDerWaalsContact C-N 3.34Å; A179-N181 PolarHBondContact O-N 3.13Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 3.14Å; N181-T184 PolarHBondContact O-N 3.34Å; N181-H185 WeakPolarHBondContact O-CB 3.43Å; N181-H185 PolarHBondContact O-N 2.84Å
182A94.1Very high93.2Very high3 Ų348.2 Ų48.23%0.02525%0.254CS..Hα-helixtrans-61.4-41177.500000112T178 A179 S186 L206 I210T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 3.32Å; A179-A182 PolarHBondContact O-N 3.5Å; A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.15Å; A182-S186 PolarHBondContact O-OG 3.29Å; A182-L206 HydrophobicContact CB-CD1 3.72Å; A182-I210 HydrophobicContact CB-CD1 4.43Å; A182-I210 HydrophobicContact CB-CG1 3.8Å
183L93.4Very high93.2Very high1 Ų154 Ų541%0.00527%0.27CS..Hα-helixtrans-62.8-50.6176.1-179.8131.3000111.3V150 A152 A179 N181 H185 S186 L187 L206 L226V150-L183 HydrophobicContact CG1-CD1 4.05Å; V150-L183 HydrophobicContact CG1-CD2 4.11Å; V150-L183 HydrophobicContact CG1-CG 4.45Å; A152-L183 HydrophobicContact CB-CD1 3.68Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 3.14Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-H185 PolarHBondContact O-N 3.2Å; L183-S186 PolarHBondContact O-N 3.41Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.63Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.5Å; L183-L206 HydrophobicContact CB-CD2 4.17Å; L183-L206 HydrophobicContact CD1-CD2 4.01Å; L183-L206 HydrophobicContact CG-CD2 4.42Å; L183-L226 HydrophobicContact CD1-CD2 3.55Å
184T93.1Very high93.2Very high51 Ų5155.2 Ų55.231%0.31327%0.266SS..Hα-helixtrans-61.8-43.5178.9-550000111.3V140 Q180 N181 S188V140-T184 HydrophobicContact CG1-CG2 4.33Å; V140-T184 HydrophobicContact CG2-CG2 4.29Å; Q180-T184 WeakPolarHBondContact O-CB 3.25Å; Q180-T184 PolarHBondContact O-N 3.23Å; Q180-T184 PolarHBondContact O-OG1 2.95Å; N181-T184 PolarHBondContact O-N 3.34Å; T184-S188 WeakPolarHBondContact O-CB 3.29Å; T184-S188 PolarHBondContact O-N 3.35Å; T184-S188 PolarHBondContact O-OG 3.36Å
185H93.6Very high93.1Very high93 Ų9353.4 Ų53.443%0.43125%0.253SS..Hα-helixtrans-64.4-40.6178.4176.1-114.8000112.7N181 L183 S188 K189N181-H185 WeakPolarHBondContact O-CB 3.43Å; N181-H185 PolarHBondContact O-N 2.84Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-H185 PolarHBondContact O-N 3.2Å; H185-S188 PolarHBondContact O-OG 3.02Å; H185-K189 PolarHBondContact CE1-NZ 3.11Å; H185-K189 VanDerWaalsContact NE2-CE 3.28Å; H185-K189 WeakPolarHBondContact NE2-CE 3.42Å; H185-K189 PolarHBondContact NE2-NZ 2.6Å
186S93Very high92.9Very high8 Ų859 Ų596%0.05628%0.279CS..Hα-helixtrans-74.5-38.9178.9-64.70000112.7A182 L183A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.15Å; A182-S186 PolarHBondContact O-OG 3.29Å; L183-S186 PolarHBondContact O-N 3.41Å
187L92.1Very high92.8Very high2 Ų259.5 Ų59.51%0.0130%0.295CS..Hα-helixtrans-72.7-35.6-179.4-70172.5000112.8V140 L148 V150 L183 K189 K190 I195 L202V140-L187 HydrophobicContact CG1-CB 3.91Å; V140-L187 HydrophobicContact CG2-CD1 4.4Å; L148-L187 HydrophobicContact CD1-CD1 4.41Å; V150-L187 HydrophobicContact CB-CD1 3.9Å; V150-L187 HydrophobicContact CG1-CD1 3.71Å; V150-L187 HydrophobicContact CG2-CD1 4.36Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.63Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.5Å; L187-K189 PolarHBondContact O-N 3.21Å; L187-K190 PolarHBondContact O-N 3.36Å; L187-I195 HydrophobicContact CD2-CD1 3.77Å; L187-I195 HydrophobicContact CD2-CG1 3.95Å; L187-I195 HydrophobicContact CD2-CG2 3.82Å; L187-L202 HydrophobicContact CD2-CD2 3.63Å
188S92.8Very high92.7Very high46 Ų4657.7 Ų57.732%0.32229%0.285SS..Hα-helixtrans-63.5-25179.857.10000114V141 R143 T184 H185V141-S188 WeakPolarHBondContact O-CA 3.3Å; R143-S188 PolarHBondContact N-O 3.39Å; T184-S188 WeakPolarHBondContact O-CB 3.29Å; T184-S188 PolarHBondContact O-N 3.35Å; T184-S188 PolarHBondContact O-OG 3.36Å; H185-S188 PolarHBondContact O-OG 3.02Å
189K92.9Very high92.6Very high122 Ų12263 Ų6353%0.5330%0.302SS..THydrogen-bonded Turntrans-84.8-15.9179.3-63.8179.1-173.11790113.9H185 L187H185-K189 PolarHBondContact CE1-NZ 3.11Å; H185-K189 VanDerWaalsContact NE2-CE 3.28Å; H185-K189 WeakPolarHBondContact NE2-CE 3.42Å; H185-K189 PolarHBondContact NE2-NZ 2.6Å; L187-K189 PolarHBondContact O-N 3.21Å
190K93.6Very high92.6Very high44 Ų4468.5 Ų68.519%0.19133%0.331CS..SBendtrans-103.5158.7-176.7-66.6-162.4176.5-162.60111.5T142 R143 L187 I195 L202T142-K190 VanDerWaalsContact CB-O 3.28Å; T142-K190 WeakPolarHBondContact CB-O 3.47Å; R143-K190 PolarHBondContact N-O 2.88Å; L187-K190 PolarHBondContact O-N 3.36Å; K190-I195 HydrophobicContact CB-CD1 4.06Å; K190-I195 HydrophobicContact CB-CG1 3.7Å; K190-I195 HydrophobicContact CD-CG1 4.47Å; K190-L202 HydrophobicContact CD-CD1 4.05Å
191T93.5Very high92.6Very high33 Ų3371.7 Ų71.720%0.20234%0.344CS..  trans-84.7152.4174-51.80000110.1D144 R193 E194 I195D144-T191 HydrophobicContact CB-CG2 3.98Å; D144-T191 VanDerWaalsContact CG-CG2 3.49Å; D144-T191 VanDerWaalsContact OD2-CG2 3.26Å; D144-T191 WeakPolarHBondContact OD2-CG2 3.37Å; T191-R193 VanDerWaalsContact C-N 3.25Å; T191-R193 PolarHBondContact O-N 3.02Å; T191-E194 PolarHBondContact N-OE2 2.73Å; T191-E194 WeakPolarHBondContact O-CB 3.48Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 VanDerWaalsContact O-N 3.08Å; T191-E194 PolarHBondContact OG1-OE2 3.02Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.9Å
192I91.4Very high92.5Very high33 Ų3367.2 Ų67.217%0.16932%0.32CS..Hα-helixtrans-51.1-46176.7-61.3-170.7000112T142 D144 L148 E194 I195 Q196T142-I192 HydrophobicContact CG2-CG1 4.03Å; T142-I192 WeakPolarHBondContact OG1-CG1 3.34Å; D144-I192 PolarHBondContact OD1-N 2.83Å; L148-I192 HydrophobicContact CD2-CG1 4.1Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; I192-I195 PolarHBondContact O-N 3.35Å; I192-Q196 PolarHBondContact O-N 3.47Å
193R90.9Very high92.5Very high199 Ų19968.2 Ų68.275%0.75132%0.324SS*.Hα-helixtrans-61.8-41.2-179.7-74.9-177.2157.3158.1-3.6112.6T191 Q196 T197T191-R193 VanDerWaalsContact C-N 3.25Å; T191-R193 PolarHBondContact O-N 3.02Å; R193-Q196 PolarHBondContact O-N 3.03Å; R193-T197 WeakPolarHBondContact O-CB 3.33Å; R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.9Å
194E91.4Very high92.6Very high82 Ų8275.5 Ų75.538%0.38336%0.358SS..Hα-helixtrans-65.9-42.1177.6-67.8168.5174.500110.7T191 I192 Q196 T197 E198T191-E194 PolarHBondContact N-OE2 2.73Å; T191-E194 WeakPolarHBondContact O-CB 3.48Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 VanDerWaalsContact O-N 3.08Å; T191-E194 PolarHBondContact OG1-OE2 3.02Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; E194-Q196 VanDerWaalsContact C-N 3.31Å; E194-Q196 PolarHBondContact O-N 2.95Å; E194-T197 PolarHBondContact O-N 3.35Å; E194-E198 WeakPolarHBondContact O-CA 3.45Å; E194-E198 VanDerWaalsContact O-CB 3.31Å; E194-E198 WeakPolarHBondContact O-CB 3.46Å; E194-E198 PolarHBondContact O-N 3.27Å
195I91.2Very high92.7Very high1 Ų178.8 Ų78.81%0.00537%0.365CS..Hα-helixtrans-61.5-40.8178.7-65.4162.3000111T142 L148 L187 K190 T191 I192 R199 L202 F228T142-I195 HydrophobicContact CG2-CD1 3.64Å; L148-I195 HydrophobicContact CD2-CD1 3.9Å; L187-I195 HydrophobicContact CD2-CD1 3.77Å; L187-I195 HydrophobicContact CD2-CG1 3.95Å; L187-I195 HydrophobicContact CD2-CG2 3.82Å; K190-I195 HydrophobicContact CB-CD1 4.06Å; K190-I195 HydrophobicContact CB-CG1 3.7Å; K190-I195 HydrophobicContact CD-CG1 4.47Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.9Å; I192-I195 PolarHBondContact O-N 3.35Å; I195-R199 PolarHBondContact O-N 3.22Å; I195-L202 HydrophobicContact CG1-CD2 4.37Å; I195-L202 HydrophobicContact CG2-CD2 4.15Å; I195-F228 HydrophobicContact CG2-CE1 3.41Å; I195-F228 VanDerWaalsContact CG2-CE1 3.41Å; I195-F228 HydrophobicContact CG2-CZ 3.71Å
196Q88.8Confident92.8Very high118 Ų11874.5 Ų74.555%0.55135%0.346SS*.Hα-helixtrans-71.9-41.4177.5-71-179.7-1900112.8I192 R193 E194I192-Q196 PolarHBondContact O-N 3.47Å; R193-Q196 PolarHBondContact O-N 3.03Å; E194-Q196 VanDerWaalsContact C-N 3.31Å; E194-Q196 PolarHBondContact O-N 2.95Å
197T91.7Very high92.9Very high122 Ų12274.8 Ų74.875%0.74835%0.35SS*.Hα-helixtrans-78.3-38-175-45.30000111.8R193 E194R193-T197 WeakPolarHBondContact O-CB 3.33Å; R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.9Å; E194-T197 PolarHBondContact O-N 3.35Å
198E93.1Very high93Very high70 Ų7081 Ų8133%0.32738%0.381SS..THydrogen-bonded Turntrans-10728.1-174.2-55.8-157.7128.600113.6E194 L200 K201 L202E194-E198 WeakPolarHBondContact O-CA 3.45Å; E194-E198 VanDerWaalsContact O-CB 3.31Å; E194-E198 WeakPolarHBondContact O-CB 3.46Å; E194-E198 PolarHBondContact O-N 3.27Å; E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.31Å; E198-L200 VanDerWaalsContact O-N 3.16Å; E198-K201 HydrophobicContact CB-CB 4.48Å; E198-K201 HydrophobicContact CB-CD 4.38Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 2.54Å; E198-L202 PolarHBondContact O-N 3.13Å
199R91.5Very high93.1Very high138 Ų13880.1 Ų80.152%0.52137%0.373SS..Hα-helixtrans-52.4-42.1-174.576.2179.9-173169.81.8113.8I195 L202 E203I195-R199 PolarHBondContact O-N 3.22Å; R199-L202 WeakPolarHBondContact O-CB 3.5Å; R199-L202 PolarHBondContact O-N 3.47Å; R199-E203 WeakPolarHBondContact O-CG 3.47Å; R199-E203 PolarHBondContact O-N 2.98Å
200L93.7Very high93.2Very high116 Ų11674.3 Ų74.361%0.60735%0.347SS*.Hα-helixtrans-67.8-41.6-176.7-66175.1000111.6E198 L202 E203 E204E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.31Å; E198-L200 VanDerWaalsContact O-N 3.16Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L200-E203 PolarHBondContact O-N 2.98Å; L200-E204 PolarHBondContact O-N 3.02Å
201K93.9Very high93.3Very high127 Ų12774.5 Ų74.555%0.55235%0.35SS*.Hα-helixtrans-64.8-35.8175-67179.2-175.6172.60111.1E198 Y205E198-K201 HydrophobicContact CB-CB 4.48Å; E198-K201 HydrophobicContact CB-CD 4.38Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 2.54Å; K201-Y205 WeakPolarHBondContact O-CB 3.38Å; K201-Y205 PolarHBondContact O-N 2.98Å
202L93.3Very high93.3Very high2 Ų277.5 Ų77.51%0.0136%0.362CS..Hα-helixtrans-70.7-41.2177.5-177.762.8000111.8L187 K190 I195 E198 R199 L200 Y205 L206 L226L187-L202 HydrophobicContact CD2-CD2 3.63Å; K190-L202 HydrophobicContact CD-CD1 4.05Å; I195-L202 HydrophobicContact CG1-CD2 4.37Å; I195-L202 HydrophobicContact CG2-CD2 4.15Å; E198-L202 PolarHBondContact O-N 3.13Å; R199-L202 WeakPolarHBondContact O-CB 3.5Å; R199-L202 PolarHBondContact O-N 3.47Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L202-Y205 PolarHBondContact O-N 2.89Å; L202-L206 WeakPolarHBondContact O-CB 3.02Å; L202-L206 PolarHBondContact O-N 3.35Å; L202-L226 HydrophobicContact CB-CD1 4.43Å; L202-L226 HydrophobicContact CD2-CD1 3.69Å; L202-L226 HydrophobicContact CG-CD1 4Å
203E94.8Very high93.2Very high25 Ų2580.1 Ų80.112%0.11738%0.375CS..Hα-helixtrans-59.3-45.6174.1-77.8170.7175.300111.5R199 L200 L206 G207 V224 L226R199-E203 WeakPolarHBondContact O-CG 3.47Å; R199-E203 PolarHBondContact O-N 2.98Å; L200-E203 PolarHBondContact O-N 2.98Å; E203-L206 PolarHBondContact O-N 2.92Å; E203-G207 PolarHBondContact O-N 3.14Å; E203-V224 WeakPolarHBondContact CG-O 3.24Å; E203-L226 HydrophobicContact CG-CB 4.39Å; E203-L226 HydrophobicContact CG-CD1 3.97Å; E203-L226 HydrophobicContact CG-CG 3.76Å; E203-L226 PolarHBondContact OE1-N 3.45Å
204E95.1Very high93.3Very high154 Ų15470.7 Ų70.772%0.7234%0.339SS*.Hα-helixtrans-63.8-47.1176.6-174.6176.3-168.700111.9L200 L206 G207 M208L200-E204 PolarHBondContact O-N 3.02Å; E204-L206 PolarHBondContact O-N 2.92Å; E204-G207 PolarHBondContact O-N 3.27Å; E204-M208 PolarHBondContact O-N 2.7Å
205Y94.6Very high93.3Very high119 Ų11971.6 Ų71.647%0.46734%0.343SS..Hα-helixtrans-60-45.7176.8178.1-100.1000112.2K201 L202 M208 D209K201-Y205 WeakPolarHBondContact O-CB 3.38Å; K201-Y205 PolarHBondContact O-N 2.98Å; L202-Y205 PolarHBondContact O-N 2.89Å; Y205-M208 PolarHBondContact O-N 3.5Å; Y205-D209 PolarHBondContact O-N 3.4Å
206L94.9Very high93.1Very high3 Ų374.2 Ų74.22%0.01636%0.36CS..Hα-helixtrans-66.3-38.7178.7-17761.6000111.4A182 L183 L202 E203 E204 M208 D209 I210 V224 L226A182-L206 HydrophobicContact CB-CD1 3.72Å; L183-L206 HydrophobicContact CB-CD2 4.17Å; L183-L206 HydrophobicContact CD1-CD2 4.01Å; L183-L206 HydrophobicContact CG-CD2 4.42Å; L202-L206 WeakPolarHBondContact O-CB 3.02Å; L202-L206 PolarHBondContact O-N 3.35Å; E203-L206 PolarHBondContact O-N 2.92Å; E204-L206 PolarHBondContact O-N 2.92Å; L206-M208 VanDerWaalsContact C-N 3.32Å; L206-M208 PolarHBondContact O-N 3.44Å; L206-D209 PolarHBondContact O-N 2.87Å; L206-I210 HydrophobicContact CD1-CD1 3.86Å; L206-I210 HydrophobicContact CD1-CG1 4.08Å; L206-I210 HydrophobicContact CD2-CD1 4.44Å; L206-I210 HydrophobicContact CG-CD1 3.75Å; L206-I210 HydrophobicContact CG-CG1 4.36Å; L206-I210 WeakPolarHBondContact O-CB 3.49Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.3Å; L206-V224 HydrophobicContact CD2-CG1 3.99Å; L206-V224 HydrophobicContact CG-CG1 4.45Å; L206-L226 HydrophobicContact CD2-CD2 4.04Å
207G94.9Very high93.2Very high15 Ų1570.9 Ų70.916%0.15534%0.342CS..Hα-helixtrans-58.6-44.1172.500000112E203 E204 N211E203-G207 PolarHBondContact O-N 3.14Å; E204-G207 PolarHBondContact O-N 3.27Å; G207-N211 WeakPolarHBondContact O-CB 3.29Å; G207-N211 PolarHBondContact O-N 2.91Å
208M95Very high93.1Very high133 Ų13365 Ų6566%0.65531%0.307SS*.Hα-helixtrans-66.3-44.3178.8-156.7177.281.600112.4E204 Y205 L206 N211 E212E204-M208 PolarHBondContact O-N 2.7Å; Y205-M208 PolarHBondContact O-N 3.5Å; L206-M208 VanDerWaalsContact C-N 3.32Å; L206-M208 PolarHBondContact O-N 3.44Å; M208-N211 PolarHBondContact O-N 2.91Å; M208-E212 PolarHBondContact O-N 2.75Å
209D95.1Very high93.1Very high27 Ų2761.8 Ų61.814%0.14429%0.291CS..Hα-helixtrans-62.3-48.9177.8-171.737.9000111.6Y205 L206 N211 E212 M213Y205-D209 PolarHBondContact O-N 3.4Å; L206-D209 PolarHBondContact O-N 2.87Å; D209-N211 PolarHBondContact O-N 2.91Å; D209-E212 PolarHBondContact O-N 3.04Å; D209-M213 PolarHBondContact O-N 2.94Å
210I94.8Very high93.2Very high0 Ų058.3 Ų58.30%028%0.281CS..Hα-helixtrans-63.1-44.4177-63.4170.5000110.1I154 A179 A182 L206 E212 M213 T214 V221I154-I210 HydrophobicContact CD1-CD1 3.81Å; A179-I210 HydrophobicContact CB-CD1 3.77Å; A179-I210 HydrophobicContact CB-CG1 4.45Å; A182-I210 HydrophobicContact CB-CD1 4.43Å; A182-I210 HydrophobicContact CB-CG1 3.8Å; L206-I210 HydrophobicContact CD1-CD1 3.86Å; L206-I210 HydrophobicContact CD1-CG1 4.08Å; L206-I210 HydrophobicContact CD2-CD1 4.44Å; L206-I210 HydrophobicContact CG-CD1 3.75Å; L206-I210 HydrophobicContact CG-CG1 4.36Å; L206-I210 WeakPolarHBondContact O-CB 3.49Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.3Å; I210-E212 VanDerWaalsContact C-N 3.29Å; I210-E212 PolarHBondContact O-N 3.01Å; I210-M213 PolarHBondContact O-N 3.12Å; I210-M213 VanDerWaalsContact O-N 3.14Å; I210-T214 HydrophobicContact CG2-CG2 3.87Å; I210-T214 WeakPolarHBondContact O-CG2 3.35Å; I210-T214 PolarHBondContact O-N 3.29Å; I210-T214 PolarHBondContact O-OG1 2.88Å; I210-V221 HydrophobicContact CB-CG2 4.42Å; I210-V221 HydrophobicContact CG2-CG2 3.81Å
211N94.9Very high93.3Very high48 Ų4853.7 Ų53.726%0.25726%0.258SS..Hα-helixtrans-60-39.3-179.9-170.359.9000112.1G207 M208 D209 M213 T214 H215 V221G207-N211 WeakPolarHBondContact O-CB 3.29Å; G207-N211 PolarHBondContact O-N 2.91Å; M208-N211 PolarHBondContact O-N 2.91Å; D209-N211 PolarHBondContact O-N 2.91Å; N211-M213 VanDerWaalsContact C-N 3.34Å; N211-M213 PolarHBondContact O-N 3.35Å; N211-T214 WeakPolarHBondContact CA-OG1 3.48Å; N211-T214 PolarHBondContact O-N 2.96Å; N211-T214 PolarHBondContact O-OG1 3.24Å; N211-H215 WeakPolarHBondContact O-CB 3.14Å; N211-H215 PolarHBondContact O-N 3.06Å; N211-V221 HydrophobicContact CB-CB 4.24Å; N211-V221 HydrophobicContact CB-CG2 4.27Å; N211-V221 PolarHBondContact OD1-N 3.12Å; N211-V221 VanDerWaalsContact OD1-N 3.13Å
212E93.4Very high93.2Very high95 Ų9550.8 Ų50.844%0.44425%0.249SC..Hα-helixtrans-62.5-40.6176.5-175.5173.3-17500112.4K19 M208 D209 I210K19-E212 PolarHBondContact NZ-O 3.05Å; M208-E212 PolarHBondContact O-N 2.75Å; D209-E212 PolarHBondContact O-N 3.04Å; I210-E212 VanDerWaalsContact C-N 3.29Å; I210-E212 PolarHBondContact O-N 3.01Å
213M91.3Very high93.3Very high89 Ų8957 Ų5744%0.43827%0.272SS..Hα-helixtrans-72.8-34.6177.8-63.9-171.2-170.700112.7T178 D209 I210 N211 P216T178-M213 HydrophobicContact CG2-CB 3.93Å; T178-M213 HydrophobicContact CG2-CG 4.48Å; T178-M213 HydrophobicContact CG2-SD 3.73Å; D209-M213 PolarHBondContact O-N 2.94Å; I210-M213 PolarHBondContact O-N 3.12Å; I210-M213 VanDerWaalsContact O-N 3.14Å; N211-M213 VanDerWaalsContact C-N 3.34Å; N211-M213 PolarHBondContact O-N 3.35Å; M213-P216 WeakPolarHBondContact O-CD 3.18Å; M213-P216 WeakPolarHBondContact O-CG 3.33Å
214T91.6Very high93.3Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-91-14.5-17660.50000114.2T175 I210 N211 P216 W217T175-T214 HydrophobicContact CG2-CG2 4.06Å; I210-T214 HydrophobicContact CG2-CG2 3.87Å; I210-T214 WeakPolarHBondContact O-CG2 3.35Å; I210-T214 PolarHBondContact O-N 3.29Å; I210-T214 PolarHBondContact O-OG1 2.88Å; N211-T214 WeakPolarHBondContact CA-OG1 3.48Å; N211-T214 PolarHBondContact O-N 2.96Å; N211-T214 PolarHBondContact O-OG1 3.24Å; T214-P216 VanDerWaalsContact C-CD 3.49Å; T214-W217 HydrophobicContact CG2-CE3 3.85Å; T214-W217 HydrophobicContact CG2-CZ3 3.88Å; T214-W217 WeakPolarHBondContact O-CB 3.35Å; T214-W217 PolarHBondContact O-N 2.78Å
215H90.9Very high93.3Very high101 Ų10151.8 Ų51.847%0.46825%0.248SC..G310 helixtrans-50-48.1176.2-169.9-76.2000114.7N211 W217 G218N211-H215 WeakPolarHBondContact O-CB 3.14Å; N211-H215 PolarHBondContact O-N 3.06Å; H215-W217 PolarHBondContact O-N 3.15Å; H215-W217 VanDerWaalsContact O-N 3.15Å; H215-G218 PolarHBondContact O-N 3.19Å
216P88.5Confident93.3Very high56 Ų5647 Ų4736%0.36423%0.23SC..G310 helixtrans-64.8-16.3178.227.2-36.8000113.4M163 M213 T214 G218M163-P216 WeakPolarHBondContact CE-O 3.02Å; M213-P216 WeakPolarHBondContact O-CD 3.18Å; M213-P216 WeakPolarHBondContact O-CG 3.33Å; T214-P216 VanDerWaalsContact C-CD 3.49Å; P216-G218 VanDerWaalsContact C-N 3.29Å
217W91.1Very high93.1Very high48 Ų4850.3 Ų50.318%0.18225%0.251CS..G310 helixtrans-85.9-2.5176.2-55.4-22.1000112.9M163 S164 S167 V168 L171 T178 T214 H215 L219M163-W217 CarbonylContact C-O 3.5Å; S164-W217 WeakPolarHBondContact CA-O 3.5Å; S164-W217 PolarHBondContact N-O 3.48Å; S164-W217 VanDerWaalsContact N-O 3.11Å; S167-W217 VanDerWaalsContact OG-CA 3.3Å; S167-W217 WeakPolarHBondContact OG-CA 3.47Å; V168-W217 HydrophobicContact CG2-CB 4.33Å; V168-W217 VanDerWaalsContact CG2-CD1 3.42Å; V168-W217 HydrophobicContact CG2-CD2 3.73Å; V168-W217 HydrophobicContact CG2-CG 3.6Å; V168-W217 HydrophobicContact CG2-CZ2 4.31Å; L171-W217 HydrophobicContact CD1-CB 4.32Å; T178-W217 VanDerWaalsContact OG1-CH2 3.28Å; T178-W217 WeakPolarHBondContact OG1-CH2 3.43Å; T214-W217 HydrophobicContact CG2-CE3 3.85Å; T214-W217 HydrophobicContact CG2-CZ3 3.88Å; T214-W217 WeakPolarHBondContact O-CB 3.35Å; T214-W217 PolarHBondContact O-N 2.78Å; H215-W217 PolarHBondContact O-N 3.15Å; H215-W217 VanDerWaalsContact O-N 3.15Å; W217-L219 HydrophobicContact CB-CD1 3.25Å; W217-L219 HydrophobicContact CE3-CD1 4.16Å; W217-L219 HydrophobicContact CG-CD1 4.34Å
218G89.8Confident92.7Very high0 Ų053.4 Ų53.40%026%0.26CS..THydrogen-bonded Turntrans83.415.9-179.700000114.6W159 N160 H215 P216W159-G218 PolarHBondContact N-O 3.15Å; N160-G218 PolarHBondContact N-O 2.92Å; H215-G218 PolarHBondContact O-N 3.19Å; P216-G218 VanDerWaalsContact C-N 3.29Å
219L92.3Very high91.9Very high1 Ų148.5 Ų48.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-106.4155.5174.3-42.485.7000111.7F156 R157 L171 W217F156-L219 HydrophobicContact CD2-CD2 3.37Å; F156-L219 HydrophobicContact CD2-CG 4.45Å; F156-L219 HydrophobicContact CE2-CD2 3.59Å; F156-L219 HydrophobicContact CG-CD2 4.31Å; R157-L219 WeakPolarHBondContact O-CA 3.5Å; L171-L219 HydrophobicContact CD1-CD1 3.54Å; L171-L219 HydrophobicContact CD1-CD2 4.13Å; L171-L219 HydrophobicContact CD1-CG 4.09Å; L171-L219 HydrophobicContact CD2-CD1 4.42Å; L171-L219 HydrophobicContact CD2-CD2 3.57Å; L171-L219 HydrophobicContact CD2-CG 4.05Å; L171-L219 HydrophobicContact CG-CD1 4.16Å; L171-L219 HydrophobicContact CG-CD2 3.8Å; L171-L219 HydrophobicContact CG-CG 4.29Å; W217-L219 HydrophobicContact CB-CD1 3.25Å; W217-L219 HydrophobicContact CE3-CD1 4.16Å; W217-L219 HydrophobicContact CG-CD1 4.34Å
220E93.1Very high90.1Very high65 Ų6552.2 Ų52.230%0.30427%0.271SS..EExtended strand (participates in β ladder)trans-127.2129.4171.5-172.6179.1163.600108.2F156 R157F156-E220 CarbonylContact C-O 3.56Å; F156-E220 VanDerWaalsContact CA-O 3.26Å; F156-E220 WeakPolarHBondContact CA-O 3.36Å; F156-E220 WeakPolarHBondContact CB-O 3.48Å; R157-E220 HydrophobicContact CG-CB 4.2Å; R157-E220 IonicContact CZ-OE1 2.85Å; R157-E220 IonicContact CZ-OE2 3.51Å; R157-E220 PolarHBondContact N-O 3.33Å; R157-E220 IonicContact NE-OE2 2.88Å; R157-E220 IonicContact NH1-OE2 3.58Å; R157-E220 IonicContact NH2-OE1 3.79Å; R157-E220 PolarHBondContact NH2-OE1 3.47Å; R157-E220 IonicContact NH2-OE2 3.5Å; R157-E220 PolarHBondContact NH2-OE2 3.19Å; R157-E220 PolarHBondContact O-N 3.23Å
221V95.4Very high88Confident20 Ų2057 Ų5712%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-86.8116.8177.7-177.80000108.4I154 I210 N211 V224I154-V221 HydrophobicContact CG2-CG1 4Å; I210-V221 HydrophobicContact CB-CG2 4.42Å; I210-V221 HydrophobicContact CG2-CG2 3.81Å; N211-V221 HydrophobicContact CB-CB 4.24Å; N211-V221 HydrophobicContact CB-CG2 4.27Å; N211-V221 PolarHBondContact OD1-N 3.12Å; N211-V221 VanDerWaalsContact OD1-N 3.13Å; V221-V224 HydrophobicContact CG1-CG2 3.83Å
222D93.5Very high85.9Confident66 Ų6662.5 Ų62.535%0.35333%0.325SS..EExtended strand (participates in β ladder)trans-82.9-42.7-179.3-67.2-38.6000110.8T130 Q155 R157T130-D222 VanDerWaalsContact CG2-OD2 3.23Å; T130-D222 WeakPolarHBondContact CG2-OD2 3.49Å; T130-D222 PolarHBondContact OG1-OD2 3.11Å; Q155-D222 PolarHBondContact O-N 3.44Å; R157-D222 VanDerWaalsContact CD-OD1 3.3Å; R157-D222 WeakPolarHBondContact CD-OD1 3.47Å; R157-D222 WeakPolarHBondContact CD-OD2 3.47Å; R157-D222 IonicContact NE-OD1 3.31Å; R157-D222 PolarHBondContact NE-OD1 2.63Å
223R93.9Very high83.5Confident131 Ų13167.1 Ų67.149%0.49434%0.344SS..EExtended strand (participates in β ladder)trans-157.7147.7-177.4-168.6173-179.8-146.3-12.6112.6Q155 E225Q155-R223 HydrophobicContact CB-CB 4.27Å; Q155-R223 PolarHBondContact N-O 2.99Å; Q155-R223 PolarHBondContact O-N 3.34Å; R223-E225 HydrophobicContact CG-CG 4.48Å; R223-E225 IonicContact CZ-OE1 3.07Å; R223-E225 IonicContact NE-OE1 2.83Å; R223-E225 IonicContact NH1-OE1 3.72Å; R223-E225 PolarHBondContact NH1-OE1 3.37Å; R223-E225 IonicContact NH2-OE1 2.66Å; R223-E225 PolarHBondContact NH2-OE1 3.29Å
224V96.1Very high81Confident6 Ų667.1 Ų67.14%0.03636%0.358CS..EExtended strand (participates in β ladder)trans-123.8130171-178.90000108.8A152 I154 E203 L206 V221A152-V224 HydrophobicContact CB-CG1 4.45Å; I154-V224 HydrophobicContact CG1-CG1 4.24Å; I154-V224 HydrophobicContact CG1-CG2 4.29Å; I154-V224 HydrophobicContact CG2-CG2 4.4Å; E203-V224 WeakPolarHBondContact CG-O 3.24Å; L206-V224 HydrophobicContact CD2-CG1 3.99Å; L206-V224 HydrophobicContact CG-CG1 4.45Å; V221-V224 HydrophobicContact CG1-CG2 3.83Å
225E94.6Very high78.5Confident65 Ų6577.1 Ų77.130%0.30441%0.405SS..EExtended strand (participates in β ladder)trans-119.1124.1174.6-65.5-172.5179.600109.9A152 D153 R223A152-E225 CarbonylContact C-O 3.33Å; A152-E225 WeakPolarHBondContact CA-O 3.38Å; A152-E225 WeakPolarHBondContact CB-O 3.43Å; D153-E225 HydrophobicContact CB-CB 4.49Å; D153-E225 PolarHBondContact N-O 2.9Å; D153-E225 PolarHBondContact O-N 3.46Å; R223-E225 HydrophobicContact CG-CG 4.48Å; R223-E225 IonicContact CZ-OE1 3.07Å; R223-E225 IonicContact NE-OE1 2.83Å; R223-E225 IonicContact NH1-OE1 3.72Å; R223-E225 PolarHBondContact NH1-OE1 3.37Å; R223-E225 IonicContact NH2-OE1 2.66Å; R223-E225 PolarHBondContact NH2-OE1 3.29Å
226L93.4Very high76.1Confident17 Ų1775.2 Ų75.29%0.08941%0.412CS..EExtended strand (participates in β ladder)trans-84.8130.8179.1-66.4174.5000111.1V150 A152 L183 L202 E203 L206 F228V150-L226 HydrophobicContact CG1-CD2 4.35Å; A152-L226 HydrophobicContact CB-CD2 4.11Å; L183-L226 HydrophobicContact CD1-CD2 3.55Å; L202-L226 HydrophobicContact CB-CD1 4.43Å; L202-L226 HydrophobicContact CD2-CD1 3.69Å; L202-L226 HydrophobicContact CG-CD1 4Å; E203-L226 HydrophobicContact CG-CB 4.39Å; E203-L226 HydrophobicContact CG-CD1 3.97Å; E203-L226 HydrophobicContact CG-CG 3.76Å; E203-L226 PolarHBondContact OE1-N 3.45Å; L206-L226 HydrophobicContact CD2-CD2 4.04Å; L226-F228 HydrophobicContact CB-CE2 3.95Å; L226-F228 HydrophobicContact CB-CZ 3.94Å; L226-F228 HydrophobicContact CD1-CZ 4.21Å
227T91.1Very high73.6Confident73 Ų7382.2 Ų82.245%0.44844%0.44SS..EExtended strand (participates in β ladder)trans-111.5118.8175.6-58.40000109.9V150 G151V150-T227 WeakPolarHBondContact CA-O 3.27Å; G151-T227 PolarHBondContact N-O 3.26Å; G151-T227 PolarHBondContact O-N 3.06Å; G151-T227 VanDerWaalsContact O-O 3.12Å
228F87.9Confident70.9Confident80 Ų8083.6 Ų83.635%0.35147%0.469SS..EExtended strand (participates in β ladder)trans-95.2122.5178.4-58.1-84.3000110.2V150 I195 L226V150-F228 HydrophobicContact CG2-CD1 3.28Å; V150-F228 HydrophobicContact CG2-CE1 3.59Å; V150-F228 HydrophobicContact CG2-CG 4.25Å; I195-F228 HydrophobicContact CG2-CE1 3.41Å; I195-F228 VanDerWaalsContact CG2-CE1 3.41Å; I195-F228 HydrophobicContact CG2-CZ 3.71Å; L226-F228 HydrophobicContact CB-CE2 3.95Å; L226-F228 HydrophobicContact CB-CZ 3.94Å; L226-F228 HydrophobicContact CD1-CZ 4.21Å
229G77.6Confident68.3Low30 Ų3093.1 Ų93.131%0.30951%0.514SS..EExtended strand (participates in β ladder)trans-76.1147.8168.600000111L149 L231L149-G229 PolarHBondContact O-N 3.49Å; G229-L231 PolarHBondContact O-N 3.49Å
230S57.8Low65.5Low105 Ų10598.1 Ų98.173%0.73456%0.556SS**PPolyproline II helixtrans-59.7125.1175.849.90000110.9L232S230-L232 PolarHBondContact O-N 3.32Å; S230-L232 VanDerWaalsContact O-N 3.11Å
231L50.9Low62.6Low101 Ų10199.5 Ų99.553%0.52958%0.578SS.*  trans-54108.5174.7-75.9157.7000111.1V147 L148 G229 K233V147-L231 WeakPolarHBondContact O-CD2 3.34Å; L148-L231 HydrophobicContact CB-CD2 4.43Å; G229-L231 PolarHBondContact O-N 3.49Å; L231-K233 PolarHBondContact O-N 3.08Å
232L48.9Very low59.7Low163 Ų163104.4 Ų104.485%0.85361%0.61SS**  trans-84.367162.5-81164.4000109.5S230S230-L232 PolarHBondContact O-N 3.32Å; S230-L232 VanDerWaalsContact O-N 3.11Å
233K43Very low56.8Low192 Ų192109 Ų10984%0.83563%0.633SS**SBendtrans-156.9120.1148.8-156.3151.8-178.7172.10110.8L231L231-K233 PolarHBondContact O-N 3.08Å
234A39.2Very low53.8Low90 Ų90108.9 Ų108.974%0.74465%0.648SS**  trans-57.9137-176.800000112.5G236A234-G236 PolarHBondContact O-N 3.35Å
235Q40.1Very low50.6Low210 Ų210115 Ų11598%0.98169%0.685SS**  trans-71.9103.5157.7-173.6170-7700108
236G39.1Very low48Very low60 Ų60117.7 Ų117.762%0.61971%0.709SS**  trans-178.9124.1170.200000105.9A234A234-G236 PolarHBondContact O-N 3.35Å
237E37.7Very low45Very low204 Ų204121.2 Ų121.295%0.95374%0.74SS**SBendcis-144.8149.823.1-70.1158.6111.700108.5
238G34.6Very low42Very low77 Ų77122.6 Ų122.679%0.79475%0.753SS**  trans163.729.2176.200000115.1
239Q34.1Very low39.3Very low199 Ų199126.8 Ų126.893%0.9378%0.778SS**  trans-138.9112.6164.6-115.9151.225.900109.4
240A34.5Very low37.2Very low107 Ų107130.7 Ų130.788%0.88480%0.798SS**  trans-71.4131.5-176.400000111.5
241A31Very low35.9Very low93 Ų93131.5 Ų131.577%0.76980%0.804SS**  trans-150.4126.5152.200000108.4
242P34.8Very low35.1Very low123 Ų123131.1 Ų131.180%0.79982%0.815SS**  trans-98.4121.1-173.933.8-26.7000111.2
243L33.3Very low34.5Very low162 Ų162129.4 Ų129.485%0.84881%0.813SS**  trans-146.9101.4167.1-83.9168.9000111
244T29.7Very low34Very low130 Ų130123.6 Ų123.680%0.79881%0.808SS**  trans42.1112.7138.9430000120.4
245T29.4Very low34.2Very low134 Ų134125.7 Ų125.782%0.82281%0.814SS**  trans-71.2173.3149.741.50000110.9
246P40.8Very low34.4Very low122 Ų122125.3 Ų125.379%0.79281%0.812SS**  cis-144.6166.217.839.5-19000117.7
247A29.6Very low34.6Very low90 Ų90125.6 Ų125.674%0.74482%0.816SS**  trans-178.699.714800000109
248S28.8Very low34.7Very low103 Ų103122.9 Ų122.972%0.7281%0.807SS**  72.2111.993.169.50000116
249L29.7Very low35.3Very low167 Ų167124 Ų12487%0.87480%0.799SS**  trans169.2158.1133.8-92.8153000111.1
250P34.6Very low36.1Very low113 Ų113120.1 Ų120.173%0.73478%0.784SS**  -116.1164.8-11040.1-28.8000115.1
251S30.2Very low37.2Very low122 Ų122118.3 Ų118.385%0.85377%0.765SS**  trans-74.5137.8172.3-48.80000113.3
252A33.3Very low38.4Very low93 Ų93120.2 Ų120.277%0.76976%0.761SS**  trans-174.9170.714300000109.9
253P37.6Very low39.3Very low126 Ų126120.8 Ų120.882%0.81875%0.753SS**  -110.2168.1-8829.8-10.8000112.8
254G32.4Very low40.3Very low70 Ų70120.1 Ų120.172%0.72275%0.745SS**  trans-67.1180-175.400000116.3
255P42.4Very low41.2Very low134 Ų134120.1 Ų120.187%0.8774%0.74SS**  -127.5131.3118.132.3-22.1000112.2
256E44.3Very low42Very low202 Ų202116.4 Ų116.494%0.94472%0.722SS**  trans-64.4145.5168.1-55.1-175.2128.100110.1
257G44.8Very low42.4Very low67 Ų67118 Ų11869%0.69172%0.721SS**  trans154.96.516500000120.1
258L39.8Very low43.2Very low146 Ų146120.9 Ų120.976%0.76472%0.719SS**SBendtrans-133.47.7-178.1-83.2164.2000115.9
259T46.6Very low44Very low102 Ų102124.9 Ų124.963%0.62672%0.724SS**SBendtrans-88.4-25-179.9470000113.9S261 I262 Q263T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 2.87Å; T259-I262 PolarHBondContact O-N 3.05Å; T259-Q263 PolarHBondContact O-N 3Å
260D50.9Low45Very low116 Ų116124.2 Ų124.262%0.6272%0.72SS**Hα-helixtrans-70.3-30.2-175.1-70.4-19.4000113.1I262 Q264D260-I262 VanDerWaalsContact C-N 3.34Å; D260-I262 PolarHBondContact O-N 3.47Å; D260-Q264 PolarHBondContact O-N 2.82Å; D260-Q264 VanDerWaalsContact O-N 3.12Å
261S56.3Low45.5Very low69 Ų69122.6 Ų122.648%0.48371%0.712SS.*Hα-helixtrans-71.5-28.7-179.2-39.60000112.9T259 L265T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 2.87Å; S261-L265 PolarHBondContact O-N 2.87Å
262I56.2Low46.4Very low133 Ų133125 Ų12568%0.68271%0.709SS**Hα-helixtrans-84.5-33.9-178.4-60.8177.4000110.6T259 D260 A266T259-I262 PolarHBondContact O-N 3.05Å; D260-I262 VanDerWaalsContact C-N 3.34Å; D260-I262 PolarHBondContact O-N 3.47Å; I262-A266 PolarHBondContact O-N 2.83Å
263Q54Low46.6Very low135 Ų135126.3 Ų126.363%0.63171%0.712SS**Hα-helixtrans-71.6-33.5172.9-96.6166.2-34.800112.9T259 A266 M267T259-Q263 PolarHBondContact O-N 3Å; Q263-A266 PolarHBondContact O-N 2.83Å; Q263-M267 PolarHBondContact O-N 2.95Å
264Q54.2Low46.3Very low148 Ų148124 Ų12469%0.69271%0.712SS**Hα-helixtrans-67.4-34.5174.3-82.8-179.8-24.200113.3D260D260-Q264 PolarHBondContact O-N 2.82Å; D260-Q264 VanDerWaalsContact O-N 3.12Å
265L48.2Very low46.2Very low131 Ų131126.4 Ų126.469%0.68672%0.717SS**Hα-helixtrans-70.8-35.7175.4-112.688.5000112.5S261 H268S261-L265 PolarHBondContact O-N 2.87Å; L265-H268 PolarHBondContact O-N 3.11Å
266A46.9Very low45.5Very low55 Ų55125.5 Ų125.546%0.45572%0.715SS.*Hα-helixtrans-69.6-31.7178.500000112.7I262 Q263I262-A266 PolarHBondContact O-N 2.83Å; Q263-A266 PolarHBondContact O-N 2.83Å
267M49.7Very low44.9Very low156 Ų156123.7 Ų123.777%0.76871%0.706SS**Hα-helixtrans-73.5-27178.3-141.380.4-17600113Q263Q263-M267 PolarHBondContact O-N 2.95Å
268H47.1Very low44.5Very low151 Ų151126.5 Ų126.570%0.69971%0.712SS**Hα-helixtrans-81.1-22.5-179.7-166.9-92.7000113.3L265L265-H268 PolarHBondContact O-N 3.11Å
269F44.5Very low44.1Very low186 Ų186126.9 Ų126.982%0.81671%0.71SS**Hα-helixtrans-85.5-16.5-179.4-116.4-88.2000114.2
270L51.9Low43.1Very low153 Ų153130.9 Ų130.980%0.80172%0.721SS**SBendtrans-953.1-176-75.4166.2000114.5
271S44Very low42.1Very low80 Ų80133.6 Ų133.656%0.55973%0.728SS**SBendtrans-99.40.3-174.977.90000115.5
272H48.5Very low40.7Very low173 Ų173137.5 Ų137.580%0.80174%0.743SS**SBendtrans-129.772.5-178.1-93.348.6000112.8
273S37.3Very low39.2Very low119 Ų119135.8 Ų135.883%0.83274%0.743SS**  trans-177.685.1148.242.40000111.4
274G32.2Very low38.1Very low79 Ų79136.8 Ų136.881%0.81475%0.752SS**  trans-87.8152143.400000107.1
275S29.9Very low36.8Very low119 Ų119136.4 Ų136.483%0.83276%0.76SS**  cis-166.6151.928.745.20000105.1
276S29.2Very low35.8Very low116 Ų116137.1 Ų137.181%0.81176%0.763SS**  -177.5138.454.146.70000110.3
277H29.8Very low35Very low163 Ų163142.9 Ų142.976%0.75578%0.783SS**  trans-106.6169.6160.7-121.7-29.3000107.5
278P37.9Very low33.9Very low127 Ų127142.1 Ų142.183%0.82578%0.782SS**  -148.4178.950.237.1-13000117.8
279Q31.2Very low33Very low153 Ų153141.3 Ų141.372%0.71578%0.779SS**  trans-97.1152.5-169.9173.3179.5-1.800112.1
280Q25.8Very low32.3Very low187 Ų187140 Ų14087%0.87478%0.779SS**  trans-155.6140.6154.5-158.3141.1-20.700114.5
281K29.9Very low31Very low173 Ų173136.2 Ų136.275%0.75277%0.766SS**  trans-79.3151.1171.5-74.1171.2167.5175.40111.3
282D27.2Very low30.2Very low150 Ų150138.1 Ų138.180%0.80278%0.779SS**  170.9139.6120.8-86.7-22.5000115.4
283S23.2Very low29.3Very low98 Ų98139.2 Ų139.269%0.68579%0.785SS**  trans33.6124.7143.6-136.60000125.3
284L31.6Very low28.9Very low156 Ų156138.3 Ų138.382%0.81779%0.785SS**  trans35.8119.4134-58.1174.1000122.4
285T27.3Very low28.7Very low140 Ų140143.8 Ų143.886%0.85979%0.789SS**  trans-171.2105.5138-20.80000108.7
286L27.1Very low28.8Very low145 Ų145144.5 Ų144.576%0.75979%0.788SS**  49.1105.287-136.8169.2000116.4
287M29Very low28.8Very low176 Ų176142.8 Ų142.887%0.86778%0.781SS**  trans176.2114.6133.6-93.6157168.900108.2
288N28Very low29.1Very low141 Ų141141.7 Ų141.775%0.75479%0.785SS**  53.8135.873.4-127.348.9000111.2
289E28.4Very low28.7Very low133 Ų133140 Ų14062%0.62177%0.773SS**  cis179.5158.3-0.1-119.3-91.4104.400103.5S291E289-S291 PolarHBondContact OE2-OG 2.85Å
290L29.4Very low28.8Very low159 Ų159137.7 Ų137.783%0.83277%0.769SS**  trans150.685.2148.6-85.5148.8000108.7
291S24.5Very low29.1Very low73 Ų73135 Ų13551%0.5177%0.767SS.*  69.9112.681.9-490000112.8E289E289-S291 PolarHBondContact OE2-OG 2.85Å
292S27.7Very low30.2Very low121 Ų121128.6 Ų128.685%0.84675%0.751SS**  trans-147.596.8132.5610000107.8
293E27.7Very low32Very low195 Ų195122.9 Ų122.991%0.91172%0.723SS**  trans-64.4135.3161.6-77.6167.4106.100109.7
294A30Very low34.2Very low101 Ų101118.9 Ų118.984%0.83569%0.694SS**  trans-136.9139.2146.800000107.3
295E27.5Very low36.2Very low193 Ų193114.8 Ų114.890%0.90267%0.671SS**  trans-63.2135.3-154.6-70.6175.811800117.2
296V31.9Very low38.5Very low134 Ų134111.7 Ų111.781%0.81265%0.647SS**  trans2.7109.9141.3-169.40000117.6
297A29.3Very low40.9Very low80 Ų80106.1 Ų106.166%0.66162%0.617SS**  trans-116.4138.413500000107.2V299A297-V299 WeakPolarHBondContact O-CG2 3.49Å; A297-V299 PolarHBondContact O-N 3.19Å
298V37.4Very low43.2Very low141 Ų14199.1 Ų99.186%0.85558%0.584SS**  trans-64.398.1179.1176.60000108.3
299V29.4Very low45.6Very low92 Ų9295.4 Ų95.456%0.55857%0.569SS**  trans-97.3108179.7179.20000108.9A297A297-V299 WeakPolarHBondContact O-CG2 3.49Å; A297-V299 PolarHBondContact O-N 3.19Å
300T31.7Very low48.1Very low103 Ų10395.7 Ų95.763%0.63256%0.564SS**  trans-58.4133.1159.5240000109.7G302T300-G302 PolarHBondContact O-N 3.48Å
301P33.1Very low50.5Low130 Ų13089 Ų8984%0.84453%0.53SS*.THydrogen-bonded Turntrans-63122.1-179.625.2-32000109.9
302G51.9Low53.2Low40 Ų4089.8 Ų89.841%0.41253%0.525SS..THydrogen-bonded Turntrans113.112.3-179.700000116.8T300T300-G302 PolarHBondContact O-N 3.48Å
303S65.1Low55.6Low30 Ų3091.8 Ų91.821%0.2152%0.523CS..  trans-76.2151.3-179-154.10000113.5E305 E306S303-E305 WeakPolarHBondContact CB-OE2 3.05Å; S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.1Å; S303-E305 PolarHBondContact OG-OE2 3.43Å; S303-E306 PolarHBondContact O-N 2.86Å
304V69.9Low57.8Low13 Ų1385.9 Ų85.98%0.07950%0.498CS..Hα-helixtrans-58-26.3-178.2-176.80000112.5L307 L308 Y341 D370 L373V304-L307 WeakPolarHBondContact O-CB 3.35Å; V304-L307 PolarHBondContact O-N 2.94Å; V304-L308 PolarHBondContact O-N 3.04Å; V304-Y341 HydrophobicContact CB-CE2 4.37Å; V304-Y341 HydrophobicContact CG1-CD2 4.15Å; V304-Y341 HydrophobicContact CG1-CE1 4.2Å; V304-Y341 HydrophobicContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CZ 3.49Å; V304-D370 HydrophobicContact CG2-CB 4.38Å; V304-L373 HydrophobicContact CB-CD2 4.46Å; V304-L373 HydrophobicContact CG1-CD2 3.61Å; V304-L373 HydrophobicContact CG2-CD2 4.05Å
305E74.3Confident60.1Low70 Ų7082.3 Ų82.333%0.32746%0.464SS..Hα-helixtrans-65.7-37.6176.7-66.668.5-145.800112.6S303 L307 L308 S309 R339 Y341S303-E305 WeakPolarHBondContact CB-OE2 3.05Å; S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.1Å; S303-E305 PolarHBondContact OG-OE2 3.43Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 2.73Å; E305-L308 WeakPolarHBondContact O-CB 3.34Å; E305-L308 PolarHBondContact O-N 2.84Å; E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 VanDerWaalsContact O-N 3.07Å; E305-S309 PolarHBondContact O-OG 3.4Å; E305-S309 VanDerWaalsContact O-OG 3.08Å; E305-R339 IonicContact OE1-CZ 3.71Å; E305-R339 IonicContact OE1-NH1 3.59Å; E305-R339 PolarHBondContact OE1-NH1 2.82Å; E305-R339 IonicContact OE2-NH1 3.59Å; E305-R339 PolarHBondContact OE2-NH1 3.17Å; E305-Y341 PolarHBondContact OE1-OH 2.89Å
306E75.9Confident62.5Low76 Ų7675 Ų7536%0.35544%0.435SS..Hα-helixtrans-66.6-38.2176.2-168.4-170.2157.500110.8S303 L308 S309 R310S303-E306 PolarHBondContact O-N 2.86Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.01Å; E306-S309 PolarHBondContact O-N 3.41Å; E306-R310 WeakPolarHBondContact O-CG 3.22Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 VanDerWaalsContact O-N 3.08Å; E306-R310 IonicContact OE1-CZ 2.7Å; E306-R310 IonicContact OE1-NE 3.47Å; E306-R310 IonicContact OE1-NH2 2.98Å; E306-R310 PolarHBondContact OE1-NH2 3.45Å
307L76.8Confident64.7Low27 Ų2774.4 Ų74.414%0.14142%0.423CS..Hα-helixtrans-63.1-41175.1-65178.2000111V304 E305 R310 V311 V374 F377V304-L307 WeakPolarHBondContact O-CB 3.35Å; V304-L307 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 2.73Å; L307-R310 PolarHBondContact O-N 3.21Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.96Å; L307-V374 HydrophobicContact CD1-CG2 4.04Å; L307-F377 HydrophobicContact CB-CD1 4.45Å; L307-F377 HydrophobicContact CD1-CB 4.03Å; L307-F377 HydrophobicContact CD1-CD2 4.34Å; L307-F377 HydrophobicContact CD1-CG 4.05Å; L307-F377 HydrophobicContact CD2-CB 3.94Å; L307-F377 HydrophobicContact CD2-CD1 4.23Å; L307-F377 HydrophobicContact CD2-CG 4.26Å
308L78.3Confident67.1Low30 Ų3075 Ų7516%0.15742%0.419CS..Hα-helixtrans-63-42.4176.8-170118.6000111.9V304 E305 E306 R310 V311 Q312 Y341V304-L308 PolarHBondContact O-N 3.04Å; E305-L308 WeakPolarHBondContact O-CB 3.34Å; E305-L308 PolarHBondContact O-N 2.84Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.01Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.38Å; L308-V311 PolarHBondContact O-N 2.61Å; L308-Q312 WeakPolarHBondContact O-CG 3.38Å; L308-Q312 PolarHBondContact O-N 2.91Å; L308-Y341 HydrophobicContact CD1-CD1 3.61Å; L308-Y341 HydrophobicContact CD1-CE1 4.32Å; L308-Y341 HydrophobicContact CD1-CG 4.33Å
309S78.3Confident68.9Low63 Ų6368.8 Ų68.844%0.44138%0.38SS..Hα-helixtrans-61-40.1175.2-49.70000112E305 E306 Q312 M313E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 VanDerWaalsContact O-N 3.07Å; E305-S309 PolarHBondContact O-OG 3.4Å; E305-S309 VanDerWaalsContact O-OG 3.08Å; E306-S309 PolarHBondContact O-N 3.41Å; S309-Q312 PolarHBondContact O-N 2.83Å; S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.22Å; S309-M313 VanDerWaalsContact O-N 3.14Å
310R79.3Confident71.3Confident138 Ų13864.9 Ų64.952%0.52136%0.357SS..Hα-helixtrans-66.5-40.1175.7-69.5-178.3-171.5-155.14.4112.4E306 L307 L308 M313 L314 L411E306-R310 WeakPolarHBondContact O-CG 3.22Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 VanDerWaalsContact O-N 3.08Å; E306-R310 IonicContact OE1-CZ 2.7Å; E306-R310 IonicContact OE1-NE 3.47Å; E306-R310 IonicContact OE1-NH2 2.98Å; E306-R310 PolarHBondContact OE1-NH2 3.45Å; L307-R310 PolarHBondContact O-N 3.21Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.38Å; R310-M313 PolarHBondContact O-N 3.12Å; R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.31Å; R310-L411 HydrophobicContact CB-CD2 4.18Å
311V81.4Confident73.5Confident19 Ų1966 Ų6612%0.11536%0.355CS..Hα-helixtrans-61.3-46.8174.6172.30000110.3L307 L308 M313 L314 L315 L343 A353 F377 L411L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.96Å; L308-V311 PolarHBondContact O-N 2.61Å; V311-M313 VanDerWaalsContact C-N 3.26Å; V311-M313 PolarHBondContact O-N 3.12Å; V311-L314 PolarHBondContact O-N 3.35Å; V311-L315 WeakPolarHBondContact O-CG 3.43Å; V311-L315 PolarHBondContact O-N 3.13Å; V311-L343 HydrophobicContact CG1-CD1 4.02Å; V311-A353 HydrophobicContact CG1-CB 4.12Å; V311-F377 HydrophobicContact CG2-CE1 3.53Å; V311-F377 HydrophobicContact CG2-CZ 4.17Å; V311-L411 HydrophobicContact CG2-CD1 4.06Å; V311-L411 HydrophobicContact CG2-CD2 4.16Å
312Q80.3Confident75.6Confident89 Ų8964.9 Ų64.942%0.41634%0.338SS..Hα-helixtrans-57.6-37.5178.2-75.7176.7-11.500112.8L308 S309 L314 L315 A353L308-Q312 WeakPolarHBondContact O-CG 3.38Å; L308-Q312 PolarHBondContact O-N 2.91Å; S309-Q312 PolarHBondContact O-N 2.83Å; Q312-L314 VanDerWaalsContact C-N 3.27Å; Q312-L314 PolarHBondContact O-N 3.3Å; Q312-L315 WeakPolarHBondContact O-CB 3.37Å; Q312-A353 HydrophobicContact CG-CB 4.03Å; Q312-A353 PolarHBondContact NE2-O 3.21Å
313M77.8Confident76.8Confident163 Ų16363 Ų6380%0.80332%0.319SS*.Hα-helixtrans-70.6-19177.6-71.3-65.9-65.600114.2S309 R310 V311S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.22Å; S309-M313 VanDerWaalsContact O-N 3.14Å; R310-M313 PolarHBondContact O-N 3.12Å; V311-M313 VanDerWaalsContact C-N 3.26Å; V311-M313 PolarHBondContact O-N 3.12Å
314L73.9Confident77.6Confident72 Ų7270.2 Ų70.238%0.37734%0.341SS..Hα-helixtrans-104.9-0.5-177.2-65.3178.4000113.7R310 V311 Q312 S316 L411R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.31Å; V311-L314 PolarHBondContact O-N 3.35Å; Q312-L314 VanDerWaalsContact C-N 3.27Å; Q312-L314 PolarHBondContact O-N 3.3Å; L314-S316 PolarHBondContact O-N 2.96Å; L314-L411 HydrophobicContact CD1-CB 4.2Å; L314-L411 HydrophobicContact CD1-CD2 3.38Å; L314-L411 HydrophobicContact CD1-CG 3.66Å
315L79.3Confident78.2Confident25 Ų2569.7 Ų69.713%0.13134%0.338CS..  trans-59.3117.6172.6-75.6-178.3000109.8V311 Q312 L343 L345 S350 A353V311-L315 WeakPolarHBondContact O-CG 3.43Å; V311-L315 PolarHBondContact O-N 3.13Å; Q312-L315 WeakPolarHBondContact O-CB 3.37Å; L315-L343 HydrophobicContact CD2-CD1 3.9Å; L315-L345 HydrophobicContact CD2-CD2 3.74Å; L315-S350 CarbonylContact C-O 3.32Å; L315-S350 VanDerWaalsContact C-O 3.32Å; L315-S350 WeakPolarHBondContact CA-O 3.35Å; L315-S350 WeakPolarHBondContact CB-O 3.5Å; L315-A353 HydrophobicContact CD1-CB 4.12Å
316S77.5Confident78.7Confident40 Ų4066.8 Ų66.828%0.2833%0.326SS..  trans-144.7154.6-178.168.90000111.3L314 T318 L319 V320 S350L314-S316 PolarHBondContact O-N 2.96Å; S316-T318 PolarHBondContact O-N 3.4Å; S316-T318 VanDerWaalsContact O-N 3.14Å; S316-T318 PolarHBondContact OG-OG1 3.12Å; S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.23Å; S316-V320 PolarHBondContact O-N 3.34Å; S316-S350 PolarHBondContact N-O 3.39Å
317E79.1Confident79.2Confident122 Ų12263.1 Ų63.157%0.5731%0.309SS*.Hα-helixtrans-58-30.3178.3-63.2-173.4168.900112.6L319 V320 Q321E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.25Å; E317-V320 PolarHBondContact O-N 3.1Å; E317-Q321 WeakPolarHBondContact O-CG 3.31Å; E317-Q321 PolarHBondContact O-N 3.39Å
318T78.3Confident79.8Confident93 Ų9362.4 Ų62.457%0.57131%0.305SS*.Hα-helixtrans-65.3-38.9177.566.20000112.3S316 Q321 Q322S316-T318 PolarHBondContact O-N 3.4Å; S316-T318 VanDerWaalsContact O-N 3.14Å; S316-T318 PolarHBondContact OG-OG1 3.12Å; T318-Q321 PolarHBondContact O-N 3.16Å; T318-Q322 WeakPolarHBondContact O-CG 3.39Å; T318-Q322 PolarHBondContact O-N 3.14Å
319L75.4Confident80.3Confident9 Ų961.7 Ų61.75%0.04730%0.3CS..Hα-helixtrans-71.2-40.6179.9-165.368.4000111S316 E317 Q321 Q322 V323 L345 L407 Q410S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.23Å; E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.25Å; L319-Q321 PolarHBondContact O-N 2.92Å; L319-Q322 PolarHBondContact O-N 3.42Å; L319-V323 WeakPolarHBondContact O-CG2 3.39Å; L319-V323 PolarHBondContact O-N 3.08Å; L319-L345 HydrophobicContact CD2-CD2 4.43Å; L319-L407 HydrophobicContact CD1-CD2 3.62Å; L319-L407 HydrophobicContact CD1-CG 4.3Å; L319-L407 HydrophobicContact CD2-CD2 3.23Å; L319-L407 HydrophobicContact CG-CD2 3.52Å; L319-Q410 HydrophobicContact CD1-CG 4.19Å
320V80.3Confident80.8Confident11 Ų1161 Ų617%0.06729%0.29CS..Hα-helixtrans-60-44.4173.3171.70000110.9S316 E317 Q322 R324 L345 Q347 G349S316-V320 PolarHBondContact O-N 3.34Å; E317-V320 PolarHBondContact O-N 3.1Å; V320-Q322 VanDerWaalsContact C-N 3.32Å; V320-Q322 PolarHBondContact O-N 3.25Å; V320-R324 WeakPolarHBondContact O-CG 3.46Å; V320-R324 PolarHBondContact O-N 2.93Å; V320-L345 HydrophobicContact CG2-CB 4.37Å; V320-L345 HydrophobicContact CG2-CD2 3.89Å; V320-Q347 VanDerWaalsContact CG1-O 3.23Å; V320-Q347 WeakPolarHBondContact CG1-O 3.49Å; V320-G349 WeakPolarHBondContact CG2-O 3.37Å
321Q78.4Confident81.3Confident126 Ų12654.5 Ų54.559%0.58927%0.266SS*.Hα-helixtrans-64.7-33.3178.2-74179.913.100113.7E317 T318 L319E317-Q321 WeakPolarHBondContact O-CG 3.31Å; E317-Q321 PolarHBondContact O-N 3.39Å; T318-Q321 PolarHBondContact O-N 3.16Å; L319-Q321 PolarHBondContact O-N 2.92Å
322Q75.4Confident81.5Confident106 Ų10656 Ų5650%0.49528%0.277SS..Hα-helixtrans-79-43.6-179.3-74.1-178.8-18.800112.7T318 L319 V320T318-Q322 WeakPolarHBondContact O-CG 3.39Å; T318-Q322 PolarHBondContact O-N 3.14Å; L319-Q322 PolarHBondContact O-N 3.42Å; V320-Q322 VanDerWaalsContact C-N 3.32Å; V320-Q322 PolarHBondContact O-N 3.25Å
323V78.6Confident81.6Confident1 Ų152.8 Ų52.81%0.00626%0.264CS..Hα-helixtrans-88.4-48.6-171.3-174.90000111.6L319 A325 F327 L345 K403 L407L319-V323 WeakPolarHBondContact O-CG2 3.39Å; L319-V323 PolarHBondContact O-N 3.08Å; V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 HydrophobicContact CG1-CB 4.26Å; V323-A325 PolarHBondContact O-N 3.4Å; V323-F327 HydrophobicContact CG1-CE2 3.45Å; V323-F327 VanDerWaalsContact CG1-CE2 3.45Å; V323-F327 HydrophobicContact CG1-CZ 3.7Å; V323-L345 HydrophobicContact CB-CD1 3.86Å; V323-L345 HydrophobicContact CG1-CD1 3.91Å; V323-L345 HydrophobicContact CG2-CD1 4.15Å; V323-K403 HydrophobicContact CG1-CB 4.09Å; V323-K403 HydrophobicContact CG1-CD 4.33Å; V323-K403 WeakPolarHBondContact O-CD 3.32Å; V323-K403 PolarHBondContact O-NZ 3.34Å; V323-L407 HydrophobicContact CG2-CG 4.27Å
324R81.3Confident81.4Confident181 Ų18149.5 Ų49.568%0.68326%0.262SS*.  trans43.451.6-179.3-66-172.1176165.90.7113.9V320 L345V320-R324 WeakPolarHBondContact O-CG 3.46Å; V320-R324 PolarHBondContact O-N 2.93Å; R324-L345 WeakPolarHBondContact CA-O 3.26Å
325A82.8Confident81.3Confident2 Ų252.5 Ų52.52%0.01728%0.279CS..  trans-151.8156.2-178.300000111.6V323 F327 L345 T400V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 HydrophobicContact CG1-CB 4.26Å; V323-A325 PolarHBondContact O-N 3.4Å; A325-F327 HydrophobicContact CB-CE2 3.82Å; A325-F327 HydrophobicContact CB-CZ 3.95Å; A325-L345 WeakPolarHBondContact O-CB 3.21Å; A325-L345 PolarHBondContact O-N 3.07Å; A325-L345 VanDerWaalsContact O-N 3.16Å; A325-T400 HydrophobicContact CB-CG2 3.3Å
326C84.6Confident80.7Confident9 Ų954.5 Ų54.56%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-106.7126.4174.7-164.70000110.9T346 L358 D363 V364C326-T346 HydrophobicContact CB-CG2 3.94Å; C326-L358 WeakPolarHBondContact SG-CD1 3.39Å; C326-D363 PolarHBondContact N-OD2 2.79Å; C326-D363 PolarHBondContact O-N 3.18Å; C326-V364 PolarHBondContact O-N 3.21Å
327F87.3Confident80.6Confident0 Ų058.2 Ų58.20%032%0.318CS..EExtended strand (participates in β ladder)trans-113.2135.6-178.8-57.4-94.5000111V323 A325 F329 Y342 L343 V364 L366 T400 L407V323-F327 HydrophobicContact CG1-CE2 3.45Å; V323-F327 VanDerWaalsContact CG1-CE2 3.45Å; V323-F327 HydrophobicContact CG1-CZ 3.7Å; A325-F327 HydrophobicContact CB-CE2 3.82Å; A325-F327 HydrophobicContact CB-CZ 3.95Å; F327-F329 HydrophobicContact CB-CD2 4.46Å; F327-F329 HydrophobicContact CB-CE2 3.75Å; F327-F329 HydrophobicContact CB-CZ 4.11Å; F327-Y342 WeakPolarHBondContact O-CA 3.35Å; F327-L343 HydrophobicContact CB-CB 4.33Å; F327-L343 HydrophobicContact CD2-CD2 4.33Å; F327-L343 PolarHBondContact N-O 3.29Å; F327-L343 PolarHBondContact O-N 3.4Å; F327-V364 WeakPolarHBondContact CA-O 3.37Å; F327-V364 HydrophobicContact CD1-CB 4.14Å; F327-V364 HydrophobicContact CD1-CG1 4.49Å; F327-V364 HydrophobicContact CE1-CB 4.47Å; F327-L366 HydrophobicContact CD1-CD1 4.14Å; F327-T400 HydrophobicContact CE1-CG2 4.46Å; F327-T400 WeakPolarHBondContact CE1-O 3.38Å; F327-T400 HydrophobicContact CZ-CG2 4.32Å; F327-L407 HydrophobicContact CE2-CD1 4.47Å
328Q88.9Confident80.6Confident12 Ų1258.8 Ų58.86%0.05632%0.321CS..EExtended strand (participates in β ladder)trans-109.5132.1166.1-174.369.548.500108.9Y341 G356 L358 P362 V364 T365 L366Q328-Y341 PolarHBondContact NE2-O 3.35Å; Q328-G356 PolarHBondContact NE2-O 3.49Å; Q328-L358 HydrophobicContact CB-CD1 4.35Å; Q328-P362 HydrophobicContact CB-CB 3.81Å; Q328-P362 HydrophobicContact CB-CG 3.99Å; Q328-V364 PolarHBondContact N-O 3.32Å; Q328-T365 HydrophobicContact CB-CG2 4.28Å; Q328-T365 HydrophobicContact CG-CG2 4.31Å; Q328-T365 CarbonylContact O-C 3.57Å; Q328-T365 WeakPolarHBondContact O-CA 3.45Å; Q328-L366 PolarHBondContact O-N 3.1Å
329F88.8Confident80.8Confident15 Ų1558.4 Ų58.47%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-110.6129.3175.6-61.7-93000109.7F327 I331 Q340 Y341 L343 L366 L404F327-F329 HydrophobicContact CB-CD2 4.46Å; F327-F329 HydrophobicContact CB-CE2 3.75Å; F327-F329 HydrophobicContact CB-CZ 4.11Å; F329-I331 HydrophobicContact CB-CD1 4.18Å; F329-I331 HydrophobicContact CB-CG1 4.37Å; F329-Q340 VanDerWaalsContact O-CA 3.31Å; F329-Q340 WeakPolarHBondContact O-CA 3.33Å; F329-Y341 PolarHBondContact N-O 3.31Å; F329-Y341 PolarHBondContact O-N 2.86Å; F329-L343 HydrophobicContact CE2-CB 4.02Å; F329-L366 CarbonylContact C-O 3.54Å; F329-L366 WeakPolarHBondContact CA-O 3.31Å; F329-L366 HydrophobicContact CD1-CB 4.02Å; F329-L366 HydrophobicContact CD1-CD1 4.04Å; F329-L366 HydrophobicContact CE1-CB 4.34Å; F329-L366 HydrophobicContact CE1-CD1 3.5Å; F329-L366 HydrophobicContact CE1-CG 4.5Å; F329-L366 HydrophobicContact CZ-CD1 4.04Å; F329-L404 HydrophobicContact CE1-CD1 4.27Å; F329-L404 HydrophobicContact CE1-CD2 3.86Å; F329-L404 HydrophobicContact CZ-CD1 3.82Å; F329-L404 HydrophobicContact CZ-CD2 4.23Å
330E88.8Confident81.3Confident49 Ų4961.9 Ų61.923%0.22933%0.325CS..EExtended strand (participates in β ladder)trans-115.3101173.9-67.8-179.7164.900108.8Q340 T365 L366 S367 M368E330-Q340 HydrophobicContact CG-CG 4.39Å; E330-T365 HydrophobicContact CG-CG2 3.98Å; E330-L366 PolarHBondContact N-O 3.03Å; E330-S367 VanDerWaalsContact O-CA 3.27Å; E330-S367 WeakPolarHBondContact O-CA 3.25Å; E330-S367 PolarHBondContact OE2-OG 3.11Å; E330-M368 PolarHBondContact O-N 2.54Å; E330-M368 VanDerWaalsContact O-N 3.11Å
331I89.3Confident81.6Confident0 Ų062 Ų620%033%0.325CS..EExtended strand (participates in β ladder)trans-102.5124.9-172.7-51.3-57.2000109.2F329 Q338 R339 Y341 M368 D370 L373F329-I331 HydrophobicContact CB-CD1 4.18Å; F329-I331 HydrophobicContact CB-CG1 4.37Å; I331-Q338 CarbonylContact O-C 3.58Å; I331-Q338 WeakPolarHBondContact O-CA 3.46Å; I331-R339 PolarHBondContact N-O 3.1Å; I331-R339 PolarHBondContact O-N 2.94Å; I331-Y341 HydrophobicContact CB-CE2 4.38Å; I331-Y341 HydrophobicContact CG1-CD2 3.94Å; I331-Y341 HydrophobicContact CG1-CE2 4.07Å; I331-M368 WeakPolarHBondContact CA-O 3.48Å; I331-M368 HydrophobicContact CD1-CG 3.6Å; I331-D370 HydrophobicContact CG2-CB 3.94Å; I331-L373 HydrophobicContact CD1-CB 4.4Å; I331-L373 HydrophobicContact CD1-CD1 3.97Å; I331-L373 HydrophobicContact CD1-CD2 3.82Å; I331-L373 HydrophobicContact CD1-CG 4.29Å; I331-L373 HydrophobicContact CG1-CD2 3.95Å; I331-L373 HydrophobicContact CG2-CD2 4.45Å
332S85.6Confident82Confident50 Ų5059.2 Ų59.235%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-96.8113.4175.4-55.20000109.2M368 S369 D370S332-M368 PolarHBondContact N-O 3.12Å; S332-S369 WeakPolarHBondContact O-CA 3.38Å; S332-D370 PolarHBondContact O-N 3.22Å
333T82.9Confident82.5Confident23 Ų2354.6 Ų54.614%0.14129%0.288CS..  trans-81.9154.1176.5-58.10000110.2D335 G336 Q337T333-D335 HydrophobicContact CG2-CB 4.4Å; T333-D335 PolarHBondContact O-N 3.44Å; T333-G336 PolarHBondContact O-N 3.29Å; T333-Q337 PolarHBondContact N-O 3.02Å
334A72.2Confident82.7Confident94 Ų9455.5 Ų55.578%0.77729%0.292SS*.THydrogen-bonded Turntrans-54.3-26.1177.200000114.1G336A334-G336 PolarHBondContact O-N 2.76Å
335D71.9Confident82.7Confident135 Ų13546.9 Ų46.972%0.72226%0.26SS*.THydrogen-bonded Turntrans-76.73.9175.6-60.8-40.5000114.2T333 Q337T333-D335 HydrophobicContact CG2-CB 4.4Å; T333-D335 PolarHBondContact O-N 3.44Å; D335-Q337 PolarHBondContact O-N 2.78Å
336G68.3Low82.2Confident67 Ų6749.3 Ų49.369%0.69128%0.275SS*.SBendtrans77.20.7-179.400000114.7T333 A334T333-G336 PolarHBondContact O-N 3.29Å; A334-G336 PolarHBondContact O-N 2.76Å
337Q75.2Confident81.3Confident118 Ų11855 Ų5555%0.55130%0.3SS*.  trans-77.7134.2173.4-65.3-171.5-5.700110.7T333 D335T333-Q337 PolarHBondContact N-O 3.02Å; D335-Q337 PolarHBondContact O-N 2.78Å
338Q78.7Confident79.7Confident134 Ų13460.4 Ų60.463%0.62635%0.345SS*.EExtended strand (participates in β ladder)trans-96.1124.5170.9-72.5-171.2-23.400109.9I331I331-Q338 CarbonylContact O-C 3.58Å; I331-Q338 WeakPolarHBondContact O-CA 3.46Å
339R82.7Confident78.5Confident85 Ų8561.1 Ų61.132%0.32136%0.355SS..EExtended strand (participates in β ladder)trans-108.1134.7174-64-170.7-178.9173.76.5109.7E305 I331 Y341E305-R339 IonicContact OE1-CZ 3.71Å; E305-R339 IonicContact OE1-NH1 3.59Å; E305-R339 PolarHBondContact OE1-NH1 2.82Å; E305-R339 IonicContact OE2-NH1 3.59Å; E305-R339 PolarHBondContact OE2-NH1 3.17Å; I331-R339 PolarHBondContact N-O 3.1Å; I331-R339 PolarHBondContact O-N 2.94Å; R339-Y341 HydrophobicContact CB-CD2 4.46Å; R339-Y341 HydrophobicContact CB-CE2 3.58Å; R339-Y341 VanDerWaalsContact CD-OH 3.24Å; R339-Y341 WeakPolarHBondContact CD-OH 3.35Å
340Q86.5Confident77.2Confident81 Ų8163.4 Ų63.438%0.37937%0.374SS..EExtended strand (participates in β ladder)trans-107.3131.7179-72.2-177.3-10.200109.6F329 E330 G356F329-Q340 VanDerWaalsContact O-CA 3.31Å; F329-Q340 WeakPolarHBondContact O-CA 3.33Å; E330-Q340 HydrophobicContact CG-CG 4.39Å; Q340-G356 CarbonylContact C-O 3.52Å; Q340-G356 PolarHBondContact O-N 3.26Å
341Y86.4Confident76.6Confident15 Ų1562.4 Ų62.46%0.05938%0.376CS..EExtended strand (participates in β ladder)trans-131.9151.4175.5-54.9-85.8000109.8V304 E305 L308 Q328 F329 I331 R339 G354V304-Y341 HydrophobicContact CB-CE2 4.37Å; V304-Y341 HydrophobicContact CG1-CD2 4.15Å; V304-Y341 HydrophobicContact CG1-CE1 4.2Å; V304-Y341 HydrophobicContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CZ 3.49Å; E305-Y341 PolarHBondContact OE1-OH 2.89Å; L308-Y341 HydrophobicContact CD1-CD1 3.61Å; L308-Y341 HydrophobicContact CD1-CE1 4.32Å; L308-Y341 HydrophobicContact CD1-CG 4.33Å; Q328-Y341 PolarHBondContact NE2-O 3.35Å; F329-Y341 PolarHBondContact N-O 3.31Å; F329-Y341 PolarHBondContact O-N 2.86Å; I331-Y341 HydrophobicContact CB-CE2 4.38Å; I331-Y341 HydrophobicContact CG1-CD2 3.94Å; I331-Y341 HydrophobicContact CG1-CE2 4.07Å; R339-Y341 HydrophobicContact CB-CD2 4.46Å; R339-Y341 HydrophobicContact CB-CE2 3.58Å; R339-Y341 VanDerWaalsContact CD-OH 3.24Å; R339-Y341 WeakPolarHBondContact CD-OH 3.35Å; Y341-G354 WeakPolarHBondContact CA-O 3.5Å
342Y86.8Confident76.1Confident67 Ų6764.4 Ų64.426%0.26339%0.393SS..EExtended strand (participates in β ladder)trans-127153.3178.272.1-92.6000112.6F327 A353 G354 L358F327-Y342 WeakPolarHBondContact O-CA 3.35Å; Y342-A353 WeakPolarHBondContact O-CA 3.23Å; Y342-G354 VanDerWaalsContact CD1-O 3.29Å; Y342-G354 WeakPolarHBondContact CD1-O 3.46Å; Y342-G354 PolarHBondContact N-O 2.95Å; Y342-G354 PolarHBondContact O-N 2.95Å; Y342-G354 VanDerWaalsContact O-N 3.13Å; Y342-L358 VanDerWaalsContact CB-CG 3.44Å; Y342-L358 HydrophobicContact CD2-CD2 3.54Å; Y342-L358 HydrophobicContact CD2-CG 4.31Å; Y342-L358 HydrophobicContact CE2-CD2 4.38Å; Y342-L358 HydrophobicContact CG-CD2 3.71Å; Y342-L358 HydrophobicContact CG-CG 3.96Å
343L85.6Confident75.9Confident9 Ų962.6 Ų62.65%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-139.7104.8174.5178.164.6000109V311 L315 F327 F329 L345 A353 L407V311-L343 HydrophobicContact CG1-CD1 4.02Å; L315-L343 HydrophobicContact CD2-CD1 3.9Å; F327-L343 HydrophobicContact CB-CB 4.33Å; F327-L343 HydrophobicContact CD2-CD2 4.33Å; F327-L343 PolarHBondContact N-O 3.29Å; F327-L343 PolarHBondContact O-N 3.4Å; F329-L343 HydrophobicContact CE2-CB 4.02Å; L343-L345 HydrophobicContact CD1-CD1 4.48Å; L343-L345 HydrophobicContact CD1-CD2 4.18Å; L343-L345 HydrophobicContact CD1-CG 4.19Å; L343-L345 HydrophobicContact CD2-CD1 4.05Å; L343-L345 HydrophobicContact CG-CD1 4.12Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L343-A353 HydrophobicContact CD1-CB 3.8Å; L343-L407 HydrophobicContact CD2-CD1 3.53Å; L343-L407 HydrophobicContact CD2-CD2 4.3Å
344D83.2Confident75.7Confident19 Ų1961.8 Ų61.810%0.10238%0.377CS..EExtended strand (participates in β ladder)trans-97.6111.8176.5-175.22.7000110.1T346 Q347 G351 A352D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.44Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 2.89Å; D344-Q347 PolarHBondContact OD2-NE2 3.3Å; D344-G351 CarbonylContact O-C 3.6Å; D344-G351 WeakPolarHBondContact O-CA 3.08Å; D344-A352 PolarHBondContact N-O 2.88Å; D344-A352 PolarHBondContact O-N 3.42Å
345L79.9Confident76.1Confident0 Ų061.8 Ų61.80%037%0.371CS..  trans-116.630.3174.5-59.1171.1000111.3L315 L319 V320 V323 R324 A325 L343 L407L315-L345 HydrophobicContact CD2-CD2 3.74Å; L319-L345 HydrophobicContact CD2-CD2 4.43Å; V320-L345 HydrophobicContact CG2-CB 4.37Å; V320-L345 HydrophobicContact CG2-CD2 3.89Å; V323-L345 HydrophobicContact CB-CD1 3.86Å; V323-L345 HydrophobicContact CG1-CD1 3.91Å; V323-L345 HydrophobicContact CG2-CD1 4.15Å; R324-L345 WeakPolarHBondContact CA-O 3.26Å; A325-L345 WeakPolarHBondContact O-CB 3.21Å; A325-L345 PolarHBondContact O-N 3.07Å; A325-L345 VanDerWaalsContact O-N 3.16Å; L343-L345 HydrophobicContact CD1-CD1 4.48Å; L343-L345 HydrophobicContact CD1-CD2 4.18Å; L343-L345 HydrophobicContact CD1-CG 4.19Å; L343-L345 HydrophobicContact CD2-CD1 4.05Å; L343-L345 HydrophobicContact CG-CD1 4.12Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L345-L407 HydrophobicContact CD1-CD1 3.84Å; L345-L407 HydrophobicContact CD1-CD2 3.79Å; L345-L407 HydrophobicContact CD1-CG 4.3Å
346T73.4Confident76.1Confident54 Ų5456.7 Ų56.733%0.33135%0.351SS..  trans-99-26.8-17767.30000114.1C326 D344C326-T346 HydrophobicContact CB-CG2 3.94Å; D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.44Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 2.89Å
347Q64.3Low75.8Confident127 Ų12757.4 Ų57.459%0.59335%0.346SS*.SBendtrans-85.4149.7-173.8-58.6-177.931.500112.5V320 D344 G349V320-Q347 VanDerWaalsContact CG1-O 3.23Å; V320-Q347 WeakPolarHBondContact CG1-O 3.49Å; D344-Q347 PolarHBondContact OD2-NE2 3.3Å; Q347-G349 PolarHBondContact O-N 3.05Å
348A54.7Low75Confident115 Ų11553.3 Ų53.395%0.9533%0.327SS*.SBendtrans-68.5102.117300000110.1
349G63.6Low73.6Confident26 Ų2654 Ų5427%0.26835%0.345SS..SBendtrans161.6-160.5-178.300000110.9V320 Q347 G351V320-G349 WeakPolarHBondContact CG2-O 3.37Å; Q347-G349 PolarHBondContact O-N 3.05Å; G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.26Å
350S61.7Low72.6Confident64 Ų6459.2 Ų59.245%0.44837%0.365SS..SBendtrans-74.8-10.7179.2-60.10000114.4L315 S316L315-S350 CarbonylContact C-O 3.32Å; L315-S350 VanDerWaalsContact C-O 3.32Å; L315-S350 WeakPolarHBondContact CA-O 3.35Å; L315-S350 WeakPolarHBondContact CB-O 3.5Å; S316-S350 PolarHBondContact N-O 3.39Å
351G75.1Confident71.7Confident27 Ų2763.8 Ų63.828%0.27839%0.386SS..  trans87.4172-171.500000112.3D344 G349D344-G351 CarbonylContact O-C 3.6Å; D344-G351 WeakPolarHBondContact O-CA 3.08Å; G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.26Å
352A79.4Confident71.3Confident43 Ų4365.3 Ų65.336%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-136138.7179.900000111.3D344D344-A352 PolarHBondContact N-O 2.88Å; D344-A352 PolarHBondContact O-N 3.42Å
353A81.6Confident71Confident11 Ų1166.3 Ų66.39%0.09141%0.408CS..EExtended strand (participates in β ladder)trans-135141.4174.500000109.9V311 Q312 L315 Y342 L343V311-A353 HydrophobicContact CG1-CB 4.12Å; Q312-A353 HydrophobicContact CG-CB 4.03Å; Q312-A353 PolarHBondContact NE2-O 3.21Å; L315-A353 HydrophobicContact CD1-CB 4.12Å; Y342-A353 WeakPolarHBondContact O-CA 3.23Å; L343-A353 HydrophobicContact CD1-CB 3.8Å
354G79.3Confident71.1Confident7 Ų765.9 Ų65.97%0.07241%0.406CS..EExtended strand (participates in β ladder)trans-166.4167.8-177.700000114Y341 Y342Y341-G354 WeakPolarHBondContact CA-O 3.5Å; Y342-G354 VanDerWaalsContact CD1-O 3.29Å; Y342-G354 WeakPolarHBondContact CD1-O 3.46Å; Y342-G354 PolarHBondContact N-O 2.95Å; Y342-G354 PolarHBondContact O-N 2.95Å; Y342-G354 VanDerWaalsContact O-N 3.13Å
355S78.9Confident71.4Confident93 Ų9366 Ų6665%0.6541%0.407SS*.EExtended strand (participates in β ladder)trans-80.7134168.954.40000110.5
356G73.2Confident71.9Confident29 Ų2966 Ų6630%0.29941%0.407SS..SBendtrans128.2-176.2178.400000113.8Q328 Q340Q328-G356 PolarHBondContact NE2-O 3.49Å; Q340-G356 CarbonylContact C-O 3.52Å; Q340-G356 PolarHBondContact O-N 3.26Å
357S61.3Low72.7Confident82 Ų8264.3 Ų64.357%0.57340%0.398SS*.  trans-90.7145.2170.449.50000110.7
358L59.5Low74Confident32 Ų3258.8 Ų58.817%0.16837%0.372CS..  trans-65.4144.2173.9-72.7153000111.4C326 Q328 Y342 R360 P362C326-L358 WeakPolarHBondContact SG-CD1 3.39Å; Q328-L358 HydrophobicContact CB-CD1 4.35Å; Y342-L358 VanDerWaalsContact CB-CG 3.44Å; Y342-L358 HydrophobicContact CD2-CD2 3.54Å; Y342-L358 HydrophobicContact CD2-CG 4.31Å; Y342-L358 HydrophobicContact CE2-CD2 4.38Å; Y342-L358 HydrophobicContact CG-CD2 3.71Å; Y342-L358 HydrophobicContact CG-CG 3.96Å; L358-R360 VanDerWaalsContact CB-O 3.23Å; L358-R360 WeakPolarHBondContact CB-O 3.41Å; L358-R360 PolarHBondContact O-N 2.98Å; L358-P362 HydrophobicContact CD1-CB 3.94Å
359C47.5Very low75.7Confident149 Ų14954.9 Ų54.9100%1.00734%0.338SS*.SBendtrans-72.5-1.2167.6-65.70000113.4
360R62.5Low76.9Confident194 Ų19455.3 Ų55.373%0.73233%0.334SS*.SBendtrans-133151.5-177.9-173.7177.6-178.5-178.40.4109.9L358L358-R360 VanDerWaalsContact CB-O 3.23Å; L358-R360 WeakPolarHBondContact CB-O 3.41Å; L358-R360 PolarHBondContact O-N 2.98Å
361E67.6Low78.1Confident176 Ų17656.1 Ų56.182%0.82234%0.339SS*.  trans-59128.4175.8-65.6-176.2169.700111.3
362P78.2Confident78.7Confident48 Ų4855.9 Ų55.931%0.31233%0.331SS..  trans-76.4145.8179.429.8-33.5000111.8Q328 L358 V364Q328-P362 HydrophobicContact CB-CB 3.81Å; Q328-P362 HydrophobicContact CB-CG 3.99Å; L358-P362 HydrophobicContact CD1-CB 3.94Å; P362-V364 VanDerWaalsContact C-N 3.29Å
363D81.3Confident79.1Confident87 Ų8754.1 Ų54.147%0.46532%0.316SS..SBendtrans-70.6-31.4173.8-61.6-52.1000111.2C326C326-D363 PolarHBondContact N-OD2 2.79Å; C326-D363 PolarHBondContact O-N 3.18Å
364V87.7Confident79.2Confident0 Ų054.9 Ų54.90%032%0.319CS..EExtended strand (participates in β ladder)trans-145.5132.1180-1770000110.4C326 F327 Q328 P362 L366 V394 Q395 T400 A401C326-V364 PolarHBondContact O-N 3.21Å; F327-V364 WeakPolarHBondContact CA-O 3.37Å; F327-V364 HydrophobicContact CD1-CB 4.14Å; F327-V364 HydrophobicContact CD1-CG1 4.49Å; F327-V364 HydrophobicContact CE1-CB 4.47Å; Q328-V364 PolarHBondContact N-O 3.32Å; P362-V364 VanDerWaalsContact C-N 3.29Å; V364-L366 HydrophobicContact CG1-CD2 3.63Å; V364-L366 HydrophobicContact CG1-CG 3.97Å; V364-V394 HydrophobicContact CG1-CG1 3.86Å; V364-Q395 WeakPolarHBondContact CA-O 3.41Å; V364-T400 HydrophobicContact CG2-CG2 3.72Å; V364-A401 HydrophobicContact CG1-CB 3.75Å
365T88.8Confident79.5Confident21 Ų2156.9 Ų56.913%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-108.7128.7168.3-54.30000110.1Q328 E330 Q395Q328-T365 HydrophobicContact CB-CG2 4.28Å; Q328-T365 HydrophobicContact CG-CG2 4.31Å; Q328-T365 CarbonylContact O-C 3.57Å; Q328-T365 WeakPolarHBondContact O-CA 3.45Å; E330-T365 HydrophobicContact CG-CG2 3.98Å; T365-Q395 PolarHBondContact N-O 2.93Å; T365-Q395 PolarHBondContact O-N 3.04Å
366L89.8Confident79.9Confident1 Ų152.4 Ų52.41%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-117.5114.5-175.8-61.4179.2000109.9F327 Q328 F329 E330 V364 M368 L392 K393 V394 A401 L404F327-L366 HydrophobicContact CD1-CD1 4.14Å; Q328-L366 PolarHBondContact O-N 3.1Å; F329-L366 CarbonylContact C-O 3.54Å; F329-L366 WeakPolarHBondContact CA-O 3.31Å; F329-L366 HydrophobicContact CD1-CB 4.02Å; F329-L366 HydrophobicContact CD1-CD1 4.04Å; F329-L366 HydrophobicContact CE1-CB 4.34Å; F329-L366 HydrophobicContact CE1-CD1 3.5Å; F329-L366 HydrophobicContact CE1-CG 4.5Å; F329-L366 HydrophobicContact CZ-CD1 4.04Å; E330-L366 PolarHBondContact N-O 3.03Å; V364-L366 HydrophobicContact CG1-CD2 3.63Å; V364-L366 HydrophobicContact CG1-CG 3.97Å; L366-M368 HydrophobicContact CB-CE 4.46Å; L366-L392 HydrophobicContact CB-CD1 4.02Å; L366-L392 HydrophobicContact CD2-CD1 4.12Å; L366-K393 WeakPolarHBondContact CA-O 3.46Å; L366-V394 HydrophobicContact CD2-CB 4.23Å; L366-V394 HydrophobicContact CD2-CG1 4.06Å; L366-V394 HydrophobicContact CD2-CG2 3.68Å; L366-A401 HydrophobicContact CD2-CB 4.07Å; L366-L404 HydrophobicContact CD1-CD2 3.63Å
367S90.6Very high80.2Confident19 Ų1952.4 Ų52.413%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-109.3125.7178.9-35.80000110.8E330 K393E330-S367 VanDerWaalsContact O-CA 3.27Å; E330-S367 WeakPolarHBondContact O-CA 3.25Å; E330-S367 PolarHBondContact OE2-OG 3.11Å; S367-K393 PolarHBondContact N-O 3.5Å; S367-K393 PolarHBondContact O-N 3.31Å
368M92.6Very high81.1Confident10 Ų1052.7 Ų52.75%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-156175.6179.868.9-177.986.800112.9E330 I331 S332 L366 L373 M376 L392E330-M368 PolarHBondContact O-N 2.54Å; E330-M368 VanDerWaalsContact O-N 3.11Å; I331-M368 WeakPolarHBondContact CA-O 3.48Å; I331-M368 HydrophobicContact CD1-CG 3.6Å; S332-M368 PolarHBondContact N-O 3.12Å; L366-M368 HydrophobicContact CB-CE 4.46Å; M368-L373 HydrophobicContact CE-CD1 4.09Å; M368-L373 HydrophobicContact CG-CB 4.25Å; M368-L373 HydrophobicContact CG-CD1 4.39Å; M368-L373 HydrophobicContact SD-CB 3.82Å; M368-L373 HydrophobicContact SD-CD1 3.57Å; M368-L373 VanDerWaalsContact SD-CD1 3.57Å; M368-L373 HydrophobicContact SD-CG 4.33Å; M368-M376 HydrophobicContact CE-CE 3.39Å; M368-M376 HydrophobicContact CE-SD 4.23Å; M368-M376 HydrophobicContact SD-CE 3.67Å; M368-M376 HydrophobicContact SD-SD 4.49Å; M368-L392 HydrophobicContact CB-CD1 4.29Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.41Å; M368-L392 HydrophobicContact CE-CG 4.35Å; M368-L392 HydrophobicContact SD-CD1 4.49Å
369S90.3Very high82Confident33 Ų3352.4 Ų52.423%0.23129%0.285CS..EExtended strand (participates in β ladder)trans-81156.8172.674.20000112.1S332 D372 L373S332-S369 WeakPolarHBondContact O-CA 3.38Å; S369-D372 PolarHBondContact O-N 3.39Å; S369-D372 VanDerWaalsContact OG-CB 3.31Å; S369-D372 WeakPolarHBondContact OG-CB 3.45Å; S369-D372 PolarHBondContact OG-N 3.03Å; S369-D372 PolarHBondContact OG-OD2 3.3Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.14Å
370D88.7Confident83.7Confident35 Ų3554.1 Ų54.119%0.18727%0.271CS..Hα-helixtrans-59.2-43.5172.959.2-18.1000112.5V304 I331 S332 L373 V374V304-D370 HydrophobicContact CG2-CB 4.38Å; I331-D370 HydrophobicContact CG2-CB 3.94Å; S332-D370 PolarHBondContact O-N 3.22Å; D370-L373 WeakPolarHBondContact O-CB 3.46Å; D370-L373 PolarHBondContact O-N 2.85Å; D370-V374 WeakPolarHBondContact O-CG2 3.47Å; D370-V374 PolarHBondContact O-N 3.13Å
371C85.7Confident84.8Confident82 Ų8246.2 Ų46.255%0.55424%0.243SC*.Hα-helixtrans-59.4-47.3175.4-68.30000112.1L373 V374 D375C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 3.1Å; C371-V374 PolarHBondContact O-N 3.21Å; C371-D375 PolarHBondContact O-N 3.25Å
372D88.9Confident85.7Confident22 Ų2243.3 Ų43.312%0.11822%0.224CC..Hα-helixtrans-68.4-33.9179.9-67.2-50.5000111.4S369 M376 L381 K391S369-D372 PolarHBondContact O-N 3.39Å; S369-D372 VanDerWaalsContact OG-CB 3.31Å; S369-D372 WeakPolarHBondContact OG-CB 3.45Å; S369-D372 PolarHBondContact OG-N 3.03Å; S369-D372 PolarHBondContact OG-OD2 3.3Å; D372-M376 WeakPolarHBondContact O-CB 3.42Å; D372-M376 PolarHBondContact O-N 3.04Å; D372-L381 HydrophobicContact CB-CD2 3.93Å; D372-K391 WeakPolarHBondContact OD1-CD 3.33Å; D372-K391 IonicContact OD1-NZ 3.57Å; D372-K391 PolarHBondContact OD1-NZ 3.35Å
373L86.6Confident86.2Confident6 Ų641.2 Ų41.23%0.03121%0.211CC..Hα-helixtrans-62.5-48.6173.7-174.175.5000110.7V304 I331 M368 S369 D370 C371 D375 M376 F377V304-L373 HydrophobicContact CB-CD2 4.46Å; V304-L373 HydrophobicContact CG1-CD2 3.61Å; V304-L373 HydrophobicContact CG2-CD2 4.05Å; I331-L373 HydrophobicContact CD1-CB 4.4Å; I331-L373 HydrophobicContact CD1-CD1 3.97Å; I331-L373 HydrophobicContact CD1-CD2 3.82Å; I331-L373 HydrophobicContact CD1-CG 4.29Å; I331-L373 HydrophobicContact CG1-CD2 3.95Å; I331-L373 HydrophobicContact CG2-CD2 4.45Å; M368-L373 HydrophobicContact CE-CD1 4.09Å; M368-L373 HydrophobicContact CG-CB 4.25Å; M368-L373 HydrophobicContact CG-CD1 4.39Å; M368-L373 HydrophobicContact SD-CB 3.82Å; M368-L373 HydrophobicContact SD-CD1 3.57Å; M368-L373 VanDerWaalsContact SD-CD1 3.57Å; M368-L373 HydrophobicContact SD-CG 4.33Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.14Å; D370-L373 WeakPolarHBondContact O-CB 3.46Å; D370-L373 PolarHBondContact O-N 2.85Å; C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 3.1Å; L373-D375 PolarHBondContact O-N 3.3Å; L373-M376 HydrophobicContact CD1-CE 3.9Å; L373-M376 WeakPolarHBondContact O-CB 3.36Å; L373-M376 PolarHBondContact O-N 3.02Å; L373-M376 VanDerWaalsContact O-N 3.13Å; L373-F377 HydrophobicContact CD1-CD2 3.93Å; L373-F377 HydrophobicContact CD1-CE2 3.57Å; L373-F377 HydrophobicContact CG-CD2 4.01Å; L373-F377 HydrophobicContact CG-CE2 4.05Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.18Å; L373-F377 PolarHBondContact O-N 3.23Å
374V84.9Confident86.5Confident26 Ų2642.8 Ų42.816%0.15821%0.213CC..Hα-helixtrans-61-45.5178.2173.30000110.8L307 D370 C371 M376 F377 Q378L307-V374 HydrophobicContact CD1-CG2 4.04Å; D370-V374 WeakPolarHBondContact O-CG2 3.47Å; D370-V374 PolarHBondContact O-N 3.13Å; C371-V374 PolarHBondContact O-N 3.21Å; V374-M376 PolarHBondContact O-N 2.8Å; V374-F377 PolarHBondContact O-N 3.26Å; V374-Q378 HydrophobicContact CG1-CG 4.4Å; V374-Q378 WeakPolarHBondContact O-CB 3.33Å; V374-Q378 VanDerWaalsContact O-CG 3.29Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 2.71Å
375D85.6Confident86.5Confident49 Ų4944.9 Ų44.926%0.26223%0.231SC..Hα-helixtrans-63.9-31.5176.3-82.5-22.1000112.5C371 L373 G379 R380 L381C371-D375 PolarHBondContact O-N 3.25Å; L373-D375 PolarHBondContact O-N 3.3Å; D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.46Å; D375-G379 PolarHBondContact O-N 3.18Å; D375-R380 HydrophobicContact CB-CB 4.32Å; D375-R380 PolarHBondContact O-N 2.92Å; D375-R380 WeakPolarHBondContact OD1-CD 3.49Å; D375-R380 IonicContact OD1-NH1 3.01Å; D375-R380 PolarHBondContact OD1-NH1 2.93Å; D375-L381 HydrophobicContact CB-CB 3.98Å; D375-L381 PolarHBondContact O-N 2.82Å
376M85.9Confident86.5Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-71.9-42.2176.3-173.4176.464.600111.8M368 D372 L373 V374 G379 L381 P383 L404 I408M368-M376 HydrophobicContact CE-CE 3.39Å; M368-M376 HydrophobicContact CE-SD 4.23Å; M368-M376 HydrophobicContact SD-CE 3.67Å; M368-M376 HydrophobicContact SD-SD 4.49Å; D372-M376 WeakPolarHBondContact O-CB 3.42Å; D372-M376 PolarHBondContact O-N 3.04Å; L373-M376 HydrophobicContact CD1-CE 3.9Å; L373-M376 WeakPolarHBondContact O-CB 3.36Å; L373-M376 PolarHBondContact O-N 3.02Å; L373-M376 VanDerWaalsContact O-N 3.13Å; V374-M376 PolarHBondContact O-N 2.8Å; M376-G379 VanDerWaalsContact O-CA 3.25Å; M376-G379 WeakPolarHBondContact O-CA 3.42Å; M376-G379 PolarHBondContact O-N 3.37Å; M376-L381 WeakPolarHBondContact CA-O 3.29Å; M376-P383 HydrophobicContact CG-CG 4.14Å; M376-P383 HydrophobicContact SD-CB 4.08Å; M376-P383 HydrophobicContact SD-CG 3.83Å; M376-L404 HydrophobicContact CE-CD2 3.82Å; M376-L404 HydrophobicContact SD-CD2 4.28Å; M376-I408 HydrophobicContact CE-CD1 4.29Å; M376-I408 HydrophobicContact CG-CD1 3.52Å; M376-I408 VanDerWaalsContact O-CG2 3.29Å; M376-I408 WeakPolarHBondContact O-CG2 3.45Å; M376-I408 HydrophobicContact SD-CD1 3.97Å
377F80.6Confident86.5Confident29 Ų2948 Ų4813%0.12724%0.241CC..Hα-helixtrans-70.5-35.9176.3-88-101.6000112.9L307 V311 L373 V374 G379 L411L307-F377 HydrophobicContact CB-CD1 4.45Å; L307-F377 HydrophobicContact CD1-CB 4.03Å; L307-F377 HydrophobicContact CD1-CD2 4.34Å; L307-F377 HydrophobicContact CD1-CG 4.05Å; L307-F377 HydrophobicContact CD2-CB 3.94Å; L307-F377 HydrophobicContact CD2-CD1 4.23Å; L307-F377 HydrophobicContact CD2-CG 4.26Å; V311-F377 HydrophobicContact CG2-CE1 3.53Å; V311-F377 HydrophobicContact CG2-CZ 4.17Å; L373-F377 HydrophobicContact CD1-CD2 3.93Å; L373-F377 HydrophobicContact CD1-CE2 3.57Å; L373-F377 HydrophobicContact CG-CD2 4.01Å; L373-F377 HydrophobicContact CG-CE2 4.05Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.18Å; L373-F377 PolarHBondContact O-N 3.23Å; V374-F377 PolarHBondContact O-N 3.26Å; F377-G379 PolarHBondContact O-N 2.88Å; F377-L411 HydrophobicContact CD1-CD1 3.67Å; F377-L411 HydrophobicContact CE1-CD1 3.47Å; F377-L411 VanDerWaalsContact CE1-CD1 3.47Å
378Q80.2Confident86.5Confident88 Ų8851.4 Ų51.441%0.41126%0.261SS..THydrogen-bonded Turntrans-72.2-10.2168.9-64.9177.412.900111.8V374 R380 K412V374-Q378 HydrophobicContact CG1-CG 4.4Å; V374-Q378 WeakPolarHBondContact O-CB 3.33Å; V374-Q378 VanDerWaalsContact O-CG 3.29Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 2.71Å; Q378-R380 VanDerWaalsContact C-N 3.27Å; Q378-R380 HydrophobicContact CB-CG 4.46Å; Q378-R380 PolarHBondContact O-N 2.96Å; Q378-R380 VanDerWaalsContact OE1-NH1 3.16Å; Q378-K412 WeakPolarHBondContact O-CE 3.23Å; Q378-K412 PolarHBondContact O-NZ 3.47Å
379G78.5Confident86.3Confident25 Ų2554.3 Ų54.326%0.25828%0.283SS..THydrogen-bonded Turntrans53.639.9-177.100000113.9D375 M376 F377 K412D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.46Å; D375-G379 PolarHBondContact O-N 3.18Å; M376-G379 VanDerWaalsContact O-CA 3.25Å; M376-G379 WeakPolarHBondContact O-CA 3.42Å; M376-G379 PolarHBondContact O-N 3.37Å; F377-G379 PolarHBondContact O-N 2.88Å; G379-K412 VanDerWaalsContact CA-CE 3.43Å; G379-K412 VanDerWaalsContact CA-NZ 3.28Å; G379-K412 PolarHBondContact O-NZ 3.05Å
380R83.4Confident86.1Confident186 Ų18655.2 Ų55.270%0.70230%0.297SS*.SBendtrans-76.1-30.2156.9-63.6176.6-176.2159.51.6110.5D375 Q378D375-R380 HydrophobicContact CB-CB 4.32Å; D375-R380 PolarHBondContact O-N 2.92Å; D375-R380 WeakPolarHBondContact OD1-CD 3.49Å; D375-R380 IonicContact OD1-NH1 3.01Å; D375-R380 PolarHBondContact OD1-NH1 2.93Å; Q378-R380 VanDerWaalsContact C-N 3.27Å; Q378-R380 HydrophobicContact CB-CG 4.46Å; Q378-R380 PolarHBondContact O-N 2.96Å; Q378-R380 VanDerWaalsContact OE1-NH1 3.16Å
381L84.3Confident86Confident27 Ų2758.3 Ų58.314%0.14131%0.309CS..SBendtrans-113.9124.2176.8-173.563000110.4D372 D375 M376 A386 K391D372-L381 HydrophobicContact CB-CD2 3.93Å; D375-L381 HydrophobicContact CB-CB 3.98Å; D375-L381 PolarHBondContact O-N 2.82Å; M376-L381 WeakPolarHBondContact CA-O 3.29Å; L381-A386 HydrophobicContact CD1-CB 4.35Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 3.99Å; L381-K391 HydrophobicContact CD2-CD 4.48Å
382R88.1Confident86.2Confident115 Ų11554.6 Ų54.643%0.43428%0.284SS..  trans-83.3141.9175-66.9-167.1-174.1177.71.8110.6T20 F384 A385 A386T20-R382 PolarHBondContact OG1-NH2 3.38Å; R382-F384 VanDerWaalsContact C-N 3.33Å; R382-F384 PolarHBondContact O-N 3.18Å; R382-A385 HydrophobicContact CB-CB 4.22Å; R382-A385 WeakPolarHBondContact O-CB 3.44Å; R382-A385 PolarHBondContact O-N 2.92Å; R382-A386 PolarHBondContact O-N 2.86Å
383P87.6Confident86.3Confident4 Ų460.3 Ų60.33%0.02631%0.307CS..Hα-helixtrans-54.9-42.6-179.5-27.234.1000114.1M376 A385 A386 Y387 E405 I408M376-P383 HydrophobicContact CG-CG 4.14Å; M376-P383 HydrophobicContact SD-CB 4.08Å; M376-P383 HydrophobicContact SD-CG 3.83Å; P383-A385 PolarHBondContact O-N 3.32Å; P383-A386 PolarHBondContact O-N 3.39Å; P383-Y387 PolarHBondContact O-N 3.46Å; P383-E405 HydrophobicContact CG-CB 4.18Å; P383-I408 HydrophobicContact CG-CD1 3.54Å
384F88.4Confident86.5Confident120 Ų12061.1 Ų61.153%0.52631%0.313SS..Hα-helixtrans-65.6-37.4177.2-175.1-99.7000112.7R382 Y387 T388 M402R382-F384 VanDerWaalsContact C-N 3.33Å; R382-F384 PolarHBondContact O-N 3.18Å; F384-Y387 PolarHBondContact O-N 2.76Å; F384-T388 HydrophobicContact CD1-CG2 4.27Å; F384-T388 HydrophobicContact CE1-CG2 3.79Å; F384-T388 HydrophobicContact CE2-CG2 4.25Å; F384-T388 HydrophobicContact CZ-CG2 3.78Å; F384-T388 WeakPolarHBondContact O-CG2 3.39Å; F384-T388 PolarHBondContact O-N 2.92Å; F384-T388 PolarHBondContact O-OG1 3.01Å; F384-M402 HydrophobicContact CB-SD 3.96Å; F384-M402 HydrophobicContact CD2-SD 3.89Å; F384-M402 HydrophobicContact CG-SD 4.45Å
385A87.3Confident86.6Confident44 Ų4465.8 Ų65.836%0.36433%0.333SS..Hα-helixtrans-67.6-41.8176.400000111.1R382 P383 Y387 T388 S389R382-A385 HydrophobicContact CB-CB 4.22Å; R382-A385 WeakPolarHBondContact O-CB 3.44Å; R382-A385 PolarHBondContact O-N 2.92Å; P383-A385 PolarHBondContact O-N 3.32Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.96Å; A385-T388 PolarHBondContact O-N 3.41Å; A385-T388 PolarHBondContact O-OG1 3.23Å; A385-T388 VanDerWaalsContact O-OG1 3.14Å; A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.45Å; A385-S389 PolarHBondContact O-N 2.93Å; A385-S389 PolarHBondContact O-OG 3.47Å; A385-S389 VanDerWaalsContact O-OG 3.11Å
386A89.3Confident86.6Confident2 Ų266 Ų662%0.01735%0.347CS..Hα-helixtrans-62-38.9175.100000112.1L381 R382 P383 S389 G390 K391 L392L381-A386 HydrophobicContact CD1-CB 4.35Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 3.99Å; R382-A386 PolarHBondContact O-N 2.86Å; P383-A386 PolarHBondContact O-N 3.39Å; A386-S389 PolarHBondContact O-OG 2.87Å; A386-G390 PolarHBondContact O-N 2.95Å; A386-K391 HydrophobicContact CB-CB 4.36Å; A386-K391 WeakPolarHBondContact O-CA 3.44Å; A386-K391 PolarHBondContact O-N 3.38Å; A386-L392 HydrophobicContact CB-CB 3.65Å; A386-L392 HydrophobicContact CB-CD2 4.45Å; A386-L392 PolarHBondContact O-N 3.28Å
387Y90.1Very high86.6Confident87 Ų8769.8 Ų69.834%0.34137%0.367SS..Hα-helixtrans-66.7-50.9178.2176.2-110.1000111.9P383 F384 A385 S389 G390 V394 V398 M402P383-Y387 PolarHBondContact O-N 3.46Å; F384-Y387 PolarHBondContact O-N 2.76Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.96Å; Y387-S389 VanDerWaalsContact C-N 3.28Å; Y387-S389 PolarHBondContact O-N 3.33Å; Y387-G390 PolarHBondContact O-N 3.21Å; Y387-V394 HydrophobicContact CD2-CB 4.12Å; Y387-V394 HydrophobicContact CD2-CG2 3.5Å; Y387-V394 HydrophobicContact CE2-CB 3.9Å; Y387-V394 HydrophobicContact CE2-CG2 3.82Å; Y387-V394 HydrophobicContact CG-CG2 4.39Å; Y387-V398 HydrophobicContact CE1-CG1 4.18Å; Y387-M402 HydrophobicContact CG-CE 4.42Å
388T89.4Confident86.8Confident90 Ų9071 Ų7155%0.55238%0.376SS*.Hα-helixtrans-66-29.4-179.850.30000113.1F384 A385 G390F384-T388 HydrophobicContact CD1-CG2 4.27Å; F384-T388 HydrophobicContact CE1-CG2 3.79Å; F384-T388 HydrophobicContact CE2-CG2 4.25Å; F384-T388 HydrophobicContact CZ-CG2 3.78Å; F384-T388 WeakPolarHBondContact O-CG2 3.39Å; F384-T388 PolarHBondContact O-N 2.92Å; F384-T388 PolarHBondContact O-OG1 3.01Å; A385-T388 PolarHBondContact O-N 3.41Å; A385-T388 PolarHBondContact O-OG1 3.23Å; A385-T388 VanDerWaalsContact O-OG1 3.14Å; T388-G390 VanDerWaalsContact C-N 3.28Å
389S87.8Confident87.1Confident71 Ų7174.7 Ų74.750%0.49739%0.391SS..THydrogen-bonded Turntrans-82.1-2.4174.376.20000113.9A385 A386 Y387 K391A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.45Å; A385-S389 PolarHBondContact O-N 2.93Å; A385-S389 PolarHBondContact O-OG 3.47Å; A385-S389 VanDerWaalsContact O-OG 3.11Å; A386-S389 PolarHBondContact O-OG 2.87Å; Y387-S389 VanDerWaalsContact C-N 3.28Å; Y387-S389 PolarHBondContact O-N 3.33Å; S389-K391 VanDerWaalsContact C-N 3.26Å; S389-K391 PolarHBondContact O-N 3.47Å; S389-K391 WeakPolarHBondContact OG-CG 3.25Å
390G87.3Confident87.4Confident52 Ų5274.6 Ų74.654%0.53639%0.386SS..THydrogen-bonded Turntrans74.38.8-177.600000115.4A386 Y387 T388A386-G390 PolarHBondContact O-N 2.95Å; Y387-G390 PolarHBondContact O-N 3.21Å; T388-G390 VanDerWaalsContact C-N 3.28Å
391K86.6Confident87.4Confident99 Ų9965.9 Ų65.943%0.4335%0.353SS..SBendtrans-78.4-27.4176.7-72.7178.3156.6-138.70112.6D372 L381 A386 S389D372-K391 WeakPolarHBondContact OD1-CD 3.33Å; D372-K391 IonicContact OD1-NZ 3.57Å; D372-K391 PolarHBondContact OD1-NZ 3.35Å; L381-K391 HydrophobicContact CD2-CD 4.48Å; A386-K391 HydrophobicContact CB-CB 4.36Å; A386-K391 WeakPolarHBondContact O-CA 3.44Å; A386-K391 PolarHBondContact O-N 3.38Å; S389-K391 VanDerWaalsContact C-N 3.26Å; S389-K391 PolarHBondContact O-N 3.47Å; S389-K391 WeakPolarHBondContact OG-CG 3.25Å
392L90.3Very high87.6Confident5 Ų566.4 Ų66.43%0.02636%0.355CS..SBendtrans-113.3117.817317256.2000108.9L366 M368 A386 V394L366-L392 HydrophobicContact CB-CD1 4.02Å; L366-L392 HydrophobicContact CD2-CD1 4.12Å; M368-L392 HydrophobicContact CB-CD1 4.29Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.41Å; M368-L392 HydrophobicContact CE-CG 4.35Å; M368-L392 HydrophobicContact SD-CD1 4.49Å; A386-L392 HydrophobicContact CB-CB 3.65Å; A386-L392 HydrophobicContact CB-CD2 4.45Å; A386-L392 PolarHBondContact O-N 3.28Å; L392-V394 HydrophobicContact CD2-CG2 4.41Å; L392-V394 HydrophobicContact CG-CG2 4.07Å
393K89.7Confident87.5Confident141 Ų14164.7 Ų64.761%0.61335%0.351SS*.EExtended strand (participates in β ladder)trans-95.4131.3171-63.8-178.1-177.9176.90109L366 S367L366-K393 WeakPolarHBondContact CA-O 3.46Å; S367-K393 PolarHBondContact N-O 3.5Å; S367-K393 PolarHBondContact O-N 3.31Å
394V91.6Very high87.2Confident24 Ų2464.7 Ų64.715%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-116.3125.3-179.6-179.10000108.2V364 L366 Y387 L392 V398 A401V364-V394 HydrophobicContact CG1-CG1 3.86Å; L366-V394 HydrophobicContact CD2-CB 4.23Å; L366-V394 HydrophobicContact CD2-CG1 4.06Å; L366-V394 HydrophobicContact CD2-CG2 3.68Å; Y387-V394 HydrophobicContact CD2-CB 4.12Å; Y387-V394 HydrophobicContact CD2-CG2 3.5Å; Y387-V394 HydrophobicContact CE2-CB 3.9Å; Y387-V394 HydrophobicContact CE2-CG2 3.82Å; Y387-V394 HydrophobicContact CG-CG2 4.39Å; L392-V394 HydrophobicContact CD2-CG2 4.41Å; L392-V394 HydrophobicContact CG-CG2 4.07Å; V394-V398 HydrophobicContact CG1-CG2 4.46Å; V394-A401 HydrophobicContact CB-CB 4.48Å; V394-A401 HydrophobicContact CG1-CB 3.48Å; V394-A401 VanDerWaalsContact CG1-CB 3.48Å; V394-A401 HydrophobicContact CG2-CB 4.13Å
395Q86.5Confident86.9Confident123 Ų12362.9 Ų62.958%0.57534%0.344SS*.EExtended strand (participates in β ladder)trans-114.7122.8168.4-59.1-177.537.800108.2V364 T365V364-Q395 WeakPolarHBondContact CA-O 3.41Å; T365-Q395 PolarHBondContact N-O 2.93Å; T365-Q395 PolarHBondContact O-N 3.04Å
396G85.6Confident86.4Confident54 Ų5463.5 Ų63.556%0.55734%0.339SS*.EExtended strand (participates in β ladder)trans117.8-159-173.100000112.6V398G396-V398 PolarHBondContact O-N 3.21Å
397D85.8Confident85.8Confident80 Ų8063.9 Ų63.943%0.42834%0.341SS..  trans-74.6110.9-179.9176.325000111.6K399 T400 A401D397-K399 PolarHBondContact O-N 3.24Å; D397-K399 WeakPolarHBondContact OD1-CB 3.37Å; D397-K399 PolarHBondContact OD1-N 3.11Å; D397-T400 WeakPolarHBondContact O-CB 3.32Å; D397-T400 PolarHBondContact O-N 2.99Å; D397-T400 PolarHBondContact OD2-N 3.4Å; D397-T400 PolarHBondContact OD2-OG1 3.42Å; D397-A401 PolarHBondContact O-N 3.29Å
398V86Confident85.3Confident54 Ų5460.2 Ų60.233%0.32733%0.327SS..Hα-helixtrans-58.6-33.6178.9-177.50000111.6Y387 V394 G396 T400 A401 M402Y387-V398 HydrophobicContact CE1-CG1 4.18Å; V394-V398 HydrophobicContact CG1-CG2 4.46Å; G396-V398 PolarHBondContact O-N 3.21Å; V398-T400 VanDerWaalsContact C-N 3.3Å; V398-T400 PolarHBondContact O-N 3.14Å; V398-A401 WeakPolarHBondContact O-CB 3.09Å; V398-A401 PolarHBondContact O-N 3.2Å; V398-M402 HydrophobicContact CG1-CE 4.39Å; V398-M402 WeakPolarHBondContact O-CG 3.33Å; V398-M402 PolarHBondContact O-N 3.5Å; V398-M402 VanDerWaalsContact O-N 3.1Å
399K84.8Confident84.8Confident166 Ų16662.1 Ų62.172%0.72233%0.328SS*.Hα-helixtrans-65.7-37.7178.2-173.5-178.9179.1-177.30111.3D397D397-K399 PolarHBondContact O-N 3.24Å; D397-K399 WeakPolarHBondContact OD1-CB 3.37Å; D397-K399 PolarHBondContact OD1-N 3.11Å
400T84.8Confident84Confident23 Ų2361.9 Ų61.914%0.14132%0.319CS..Hα-helixtrans-71.6-38.9175.4-62.20000111.2A325 F327 V364 D397 V398 M402 K403A325-T400 HydrophobicContact CB-CG2 3.3Å; F327-T400 HydrophobicContact CE1-CG2 4.46Å; F327-T400 WeakPolarHBondContact CE1-O 3.38Å; F327-T400 HydrophobicContact CZ-CG2 4.32Å; V364-T400 HydrophobicContact CG2-CG2 3.72Å; D397-T400 WeakPolarHBondContact O-CB 3.32Å; D397-T400 PolarHBondContact O-N 2.99Å; D397-T400 PolarHBondContact OD2-N 3.4Å; D397-T400 PolarHBondContact OD2-OG1 3.42Å; V398-T400 VanDerWaalsContact C-N 3.3Å; V398-T400 PolarHBondContact O-N 3.14Å; T400-M402 VanDerWaalsContact C-N 3.29Å; T400-M402 PolarHBondContact O-N 3.04Å; T400-K403 WeakPolarHBondContact O-CB 3.49Å; T400-K403 PolarHBondContact O-N 3.38Å; T400-K403 VanDerWaalsContact O-N 3.1Å
401A85.1Confident83Confident2 Ų261.3 Ų61.32%0.01730%0.303CS..Hα-helixtrans-56.3-40173.700000113.2V364 L366 V394 D397 V398 K403 L404V364-A401 HydrophobicContact CG1-CB 3.75Å; L366-A401 HydrophobicContact CD2-CB 4.07Å; V394-A401 HydrophobicContact CB-CB 4.48Å; V394-A401 HydrophobicContact CG1-CB 3.48Å; V394-A401 VanDerWaalsContact CG1-CB 3.48Å; V394-A401 HydrophobicContact CG2-CB 4.13Å; D397-A401 PolarHBondContact O-N 3.29Å; V398-A401 WeakPolarHBondContact O-CB 3.09Å; V398-A401 PolarHBondContact O-N 3.2Å; A401-K403 PolarHBondContact O-N 2.84Å; A401-L404 WeakPolarHBondContact O-CB 3.42Å; A401-L404 PolarHBondContact O-N 3.16Å
402M88.4Confident81.9Confident39 Ų3962.5 Ų62.519%0.19231%0.308CS..THydrogen-bonded Turntrans-71-16.8-179.6-65.1-56.5112.700113.7F384 Y387 V398 T400 L404 E405F384-M402 HydrophobicContact CB-SD 3.96Å; F384-M402 HydrophobicContact CD2-SD 3.89Å; F384-M402 HydrophobicContact CG-SD 4.45Å; Y387-M402 HydrophobicContact CG-CE 4.42Å; V398-M402 HydrophobicContact CG1-CE 4.39Å; V398-M402 WeakPolarHBondContact O-CG 3.33Å; V398-M402 PolarHBondContact O-N 3.5Å; V398-M402 VanDerWaalsContact O-N 3.1Å; T400-M402 VanDerWaalsContact C-N 3.29Å; T400-M402 PolarHBondContact O-N 3.04Å; M402-L404 PolarHBondContact O-N 2.89Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 2.61Å; M402-E405 VanDerWaalsContact O-N 3.14Å
403K84.4Confident80.1Confident79 Ų7972.5 Ų72.534%0.34335%0.352SS..THydrogen-bonded Turntrans-65.1-16172.6-62.2-170.1-175.1-178.10113V323 T400 A401 E405 E406V323-K403 HydrophobicContact CG1-CB 4.09Å; V323-K403 HydrophobicContact CG1-CD 4.33Å; V323-K403 WeakPolarHBondContact O-CD 3.32Å; V323-K403 PolarHBondContact O-NZ 3.34Å; T400-K403 WeakPolarHBondContact O-CB 3.49Å; T400-K403 PolarHBondContact O-N 3.38Å; T400-K403 VanDerWaalsContact O-N 3.1Å; A401-K403 PolarHBondContact O-N 2.84Å; K403-E405 PolarHBondContact O-N 2.93Å; K403-E405 VanDerWaalsContact O-N 3.16Å; K403-E406 PolarHBondContact O-N 2.88Å; K403-E406 VanDerWaalsContact O-N 3.1Å
404L81.4Confident79.7Confident3 Ų369.1 Ų69.12%0.01634%0.339CS..Hα-helixtrans-56.2-25.8171.2-175.763.9000112.9F329 L366 M376 A401 M402 E406 L407 I408F329-L404 HydrophobicContact CE1-CD1 4.27Å; F329-L404 HydrophobicContact CE1-CD2 3.86Å; F329-L404 HydrophobicContact CZ-CD1 3.82Å; F329-L404 HydrophobicContact CZ-CD2 4.23Å; L366-L404 HydrophobicContact CD1-CD2 3.63Å; M376-L404 HydrophobicContact CE-CD2 3.82Å; M376-L404 HydrophobicContact SD-CD2 4.28Å; A401-L404 WeakPolarHBondContact O-CB 3.42Å; A401-L404 PolarHBondContact O-N 3.16Å; M402-L404 PolarHBondContact O-N 2.89Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.26Å; L404-L407 HydrophobicContact CD1-CB 4.23Å; L404-L407 HydrophobicContact CD1-CD1 3.72Å; L404-L407 WeakPolarHBondContact O-CB 3.31Å; L404-L407 PolarHBondContact O-N 3.49Å; L404-I408 HydrophobicContact CD2-CD1 4.48Å; L404-I408 HydrophobicContact CG-CD1 4.02Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.5Å; L404-I408 VanDerWaalsContact O-N 3.12Å
405E82.6Confident79Confident82 Ų8271.5 Ų71.538%0.38335%0.349SS..Hα-helixtrans-63.2-34.4176.8-170.6167.9-164.400112.6P383 M402 K403 L407 I408 K409P383-E405 HydrophobicContact CG-CB 4.18Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 2.61Å; M402-E405 VanDerWaalsContact O-N 3.14Å; K403-E405 PolarHBondContact O-N 2.93Å; K403-E405 VanDerWaalsContact O-N 3.16Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-I408 PolarHBondContact O-N 2.8Å; E405-K409 WeakPolarHBondContact O-CB 3.24Å; E405-K409 PolarHBondContact O-N 3.36Å
406E77.3Confident78.6Confident58 Ų5868.6 Ų68.627%0.27134%0.336SS..Hα-helixtrans-68.7-36.7177.1-168.458.2-146.900111K403 L404 K409 Q410K403-E406 PolarHBondContact O-N 2.88Å; K403-E406 VanDerWaalsContact O-N 3.1Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.26Å; E406-K409 PolarHBondContact O-N 3.41Å; E406-K409 IonicContact OE2-NZ 3.66Å; E406-Q410 WeakPolarHBondContact O-CG 3.35Å; E406-Q410 PolarHBondContact O-N 3.04Å; E406-Q410 VanDerWaalsContact O-N 3.12Å; E406-Q410 PolarHBondContact OE1-NE2 2.89Å; E406-Q410 VanDerWaalsContact OE1-NE2 3.1Å
407L76.3Confident78.2Confident10 Ų1069.5 Ų69.55%0.05232%0.324CS..Hα-helixtrans-59.5-50.2173-75.1160.8000111.5L319 V323 F327 L343 L345 L404 E405 K409 Q410 L411L319-L407 HydrophobicContact CD1-CD2 3.62Å; L319-L407 HydrophobicContact CD1-CG 4.3Å; L319-L407 HydrophobicContact CD2-CD2 3.23Å; L319-L407 HydrophobicContact CG-CD2 3.52Å; V323-L407 HydrophobicContact CG2-CG 4.27Å; F327-L407 HydrophobicContact CE2-CD1 4.47Å; L343-L407 HydrophobicContact CD2-CD1 3.53Å; L343-L407 HydrophobicContact CD2-CD2 4.3Å; L345-L407 HydrophobicContact CD1-CD1 3.84Å; L345-L407 HydrophobicContact CD1-CD2 3.79Å; L345-L407 HydrophobicContact CD1-CG 4.3Å; L404-L407 HydrophobicContact CD1-CB 4.23Å; L404-L407 HydrophobicContact CD1-CD1 3.72Å; L404-L407 WeakPolarHBondContact O-CB 3.31Å; L404-L407 PolarHBondContact O-N 3.49Å; E405-L407 VanDerWaalsContact C-N 3.34Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.97Å; L407-Q410 PolarHBondContact O-N 3.29Å; L407-L411 WeakPolarHBondContact O-CD1 3.3Å; L407-L411 PolarHBondContact O-N 3.41Å; L407-L411 VanDerWaalsContact O-N 3.13Å
408I79.4Confident77.7Confident10 Ų1068.8 Ų68.85%0.05132%0.317CS..Hα-helixtrans-63-34.9179.4-66.3158.5000111.3M376 P383 L404 E405 L411 K412M376-I408 HydrophobicContact CE-CD1 4.29Å; M376-I408 HydrophobicContact CG-CD1 3.52Å; M376-I408 VanDerWaalsContact O-CG2 3.29Å; M376-I408 WeakPolarHBondContact O-CG2 3.45Å; M376-I408 HydrophobicContact SD-CD1 3.97Å; P383-I408 HydrophobicContact CG-CD1 3.54Å; L404-I408 HydrophobicContact CD2-CD1 4.48Å; L404-I408 HydrophobicContact CG-CD1 4.02Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.5Å; L404-I408 VanDerWaalsContact O-N 3.12Å; E405-I408 PolarHBondContact O-N 2.8Å; I408-L411 WeakPolarHBondContact O-CB 3.47Å; I408-L411 PolarHBondContact O-N 2.9Å; I408-K412 PolarHBondContact O-N 2.99Å
409K79.3Confident77.2Confident130 Ų13069.8 Ų69.857%0.56532%0.316SS*.Hα-helixtrans-67.3-36.7177.9-172-178.8176.2-169.90112.5E405 E406 L407 K412E405-K409 WeakPolarHBondContact O-CB 3.24Å; E405-K409 PolarHBondContact O-N 3.36Å; E406-K409 PolarHBondContact O-N 3.41Å; E406-K409 IonicContact OE2-NZ 3.66Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.97Å; K409-K412 PolarHBondContact O-N 2.87Å
410Q71.1Confident76.6Confident65 Ų6562.9 Ų62.930%0.30429%0.287SS..Hα-helixtrans-72-32.1174.8-61.7-63.1-19.600111.9L319 E406 L407 K412 K413L319-Q410 HydrophobicContact CD1-CG 4.19Å; E406-Q410 WeakPolarHBondContact O-CG 3.35Å; E406-Q410 PolarHBondContact O-N 3.04Å; E406-Q410 VanDerWaalsContact O-N 3.12Å; E406-Q410 PolarHBondContact OE1-NE2 2.89Å; E406-Q410 VanDerWaalsContact OE1-NE2 3.1Å; L407-Q410 PolarHBondContact O-N 3.29Å; Q410-K412 PolarHBondContact O-N 3.01Å; Q410-K413 PolarHBondContact O-N 3.02Å
411L65.9Low76Confident40 Ų4066 Ų6621%0.20930%0.299CS..Hα-helixtrans-65.8-18.3173.8-80.9151.5000114.7R310 V311 L314 F377 L407 I408R310-L411 HydrophobicContact CB-CD2 4.18Å; V311-L411 HydrophobicContact CG2-CD1 4.06Å; V311-L411 HydrophobicContact CG2-CD2 4.16Å; L314-L411 HydrophobicContact CD1-CB 4.2Å; L314-L411 HydrophobicContact CD1-CD2 3.38Å; L314-L411 HydrophobicContact CD1-CG 3.66Å; F377-L411 HydrophobicContact CD1-CD1 3.67Å; F377-L411 HydrophobicContact CE1-CD1 3.47Å; F377-L411 VanDerWaalsContact CE1-CD1 3.47Å; L407-L411 WeakPolarHBondContact O-CD1 3.3Å; L407-L411 PolarHBondContact O-N 3.41Å; L407-L411 VanDerWaalsContact O-N 3.13Å; I408-L411 WeakPolarHBondContact O-CB 3.47Å; I408-L411 PolarHBondContact O-N 2.9Å
412K63.1Low75.2Confident124 Ų12471.3 Ų71.354%0.53932%0.322SS..THydrogen-bonded Turntrans-88.2-14.4178.2-79-171170.6-169.40114.3Q378 G379 I408 K409 Q410Q378-K412 WeakPolarHBondContact O-CE 3.23Å; Q378-K412 PolarHBondContact O-NZ 3.47Å; G379-K412 VanDerWaalsContact CA-CE 3.43Å; G379-K412 VanDerWaalsContact CA-NZ 3.28Å; G379-K412 PolarHBondContact O-NZ 3.05Å; I408-K412 PolarHBondContact O-N 2.99Å; K409-K412 PolarHBondContact O-N 2.87Å; Q410-K412 PolarHBondContact O-N 3.01Å
413K53.8Low74Confident216 Ų21674.3 Ų74.394%0.93933%0.334SS*.  trans-840173.7-85-177174-179.80109.7Q410Q410-K413 PolarHBondContact O-N 3.02Å

Retrieved 413 of 413 residues in 751.4 ms (Link to these results)