A0A087WRK8_MOUSE Loading...

GRAM domain containing 1A

AlphaFold DB , UniProt , Accession A0A087WRK8, Species MOUSE (Mus musculus, Mouse), Gene Gramd1a, Length 161 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
1M40.7Very low31.6Very low235 Ų235133.4 Ų133.4100%1.15877%0.768SS**  0138.20-164.7165.9-176.600106
2V37.3Very low31.6Very low132 Ų132136.2 Ų136.280%0.876%0.764SS**  trans70.8117.5-153.5-169.70000108.8
3E27.8Very low31.2Very low148 Ų148134.6 Ų134.669%0.69277%0.768SS**  cis74145.536.6-58.5-150.1102.100113.7
4K30.7Very low30.9Very low176 Ų176129.6 Ų129.677%0.76576%0.76SS**  cis-160.5178-0.1-131.8171.7-179.5129.70110.1
5G30.3Very low31Very low61 Ų61130.5 Ų130.563%0.62977%0.767SS**  trans106127.9173.600000112.8
6S31.1Very low30.9Very low106 Ų106129.8 Ų129.874%0.74177%0.772SS**  cis64.3135.213.117.50000116.1
7D28.9Very low30.8Very low151 Ų151126.4 Ų126.481%0.80777%0.77SS**  cis-156.3-179.98.5-123.8-44.3000115.5
8S31.1Very low30.7Very low99 Ų99126.9 Ų126.969%0.69277%0.773SS**  trans-23.1173.3165.7920000120.6
9S29.6Very low30.5Very low103 Ų103127.8 Ų127.872%0.7277%0.773SS**  cis179.7168-10.844.40000111
10S30.4Very low30.4Very low106 Ų106126.9 Ų126.974%0.74177%0.772SS**  trans176.3119.9150.7-81.70000111.5
11E29.4Very low30.7Very low150 Ų150126.9 Ų126.970%0.70177%0.772SS**  76.8146.488.9-68.5-147.6127.500115.8
12K31.9Very low30.3Very low167 Ų167125 Ų12573%0.72676%0.761SS**  cis-153.5-177.54.3-122.2163.4179.11330108.2
13S26.9Very low30.5Very low116 Ų116123.8 Ų123.881%0.81176%0.758SS**  cis-133-135.29.256.70000110.4
14G27.1Very low30.7Very low64 Ų64125.6 Ų125.666%0.6677%0.771SS**  cis138.5132.39.100000109
15V32.1Very low30.8Very low143 Ų143119.9 Ų119.987%0.86776%0.762SS**  cis-150.7160.616.9173.40000112
16S29Very low31.4Very low120 Ų120122.9 Ų122.984%0.83977%0.774SS**  trans-35.1157.7-179.2-43.10000122.9
17G29.3Very low32Very low72 Ų72128.4 Ų128.474%0.74278%0.778SS**  trans-176.6147161.800000114.7
18T29.8Very low33Very low135 Ų135128.1 Ų128.183%0.82878%0.777SS**  trans-153.5175.6-173.7570000110.5
19L27.2Very low33.6Very low145 Ų145133 Ų13376%0.75979%0.786SS**  cis-159.2162.614.3-163.666.9000111.5
20S27.6Very low34.9Very low109 Ų109135.3 Ų135.376%0.76279%0.788SS**  trans75.3162.2151.9720000121.4
21T37.6Very low35.9Very low126 Ų126141.5 Ų141.577%0.77380%0.796SS**  trans-98147-167.1-39.50000113.3
22Q30.6Very low37.1Very low197 Ų197139.4 Ų139.492%0.92179%0.789SS**  trans-164.8155.4143.7-111.2148.5102.500112.2
23S41.8Very low38.2Very low106 Ų106135.5 Ų135.574%0.74178%0.783SS**  trans-112.3152.9174.166.20000110.7
24L32.5Very low39.6Very low186 Ų186138.3 Ų138.397%0.97478%0.78SS**  trans178.2152.9151.7-102.1156.9000110.6
25G32.2Very low40.9Very low55 Ų55141.6 Ų141.657%0.56778%0.776SS**  trans11749.616000000118.6R27G25-R27 PolarHBondContact O-N 3.05Å
26S42.7Very low41.8Very low125 Ų125141.5 Ų141.587%0.87477%0.768SS**  trans-6191.6165.8-58.90000111.6
27R45.4Very low43.1Very low222 Ų222141.8 Ų141.884%0.83876%0.756SS**  trans-86117.7177.7-71.6-176177.7174.11.1110.9G25 F29G25-R27 PolarHBondContact O-N 3.05Å; R27-F29 PolarHBondContact O-N 2.98Å
28N49.7Very low44.4Very low145 Ų145140.7 Ų140.778%0.77574%0.738SS**  trans-60.5100.6-174.5-70.5-39000113.7I30N28-I30 PolarHBondContact O-N 2.96Å; N28-I30 VanDerWaalsContact O-N 3.14Å
29F44.1Very low45.9Very low202 Ų202142.5 Ų142.589%0.88673%0.729SS**  trans-83.436.9170.4-104.7-86.8000113.6R27 R31R27-F29 PolarHBondContact O-N 2.98Å; F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.45Å
30I55.2Low47.4Very low150 Ų150143.6 Ų143.677%0.76972%0.724SS**  trans-80.273.7173.6-51179.3000109.3N28N28-I30 PolarHBondContact O-N 2.96Å; N28-I30 VanDerWaalsContact O-N 3.14Å
31R52.6Low48.8Very low237 Ų237140.3 Ų140.389%0.89470%0.702SS**  trans-145.7121.5168-106.6169.9-169.8-173.51.9113.3F29F29-R31 VanDerWaalsContact C-N 3.26Å; F29-R31 PolarHBondContact O-N 3.45Å
32N54.5Low49.6Very low106 Ų106141 Ų14157%0.56770%0.698SS**  trans82.331149.6-15228.8000121.3K34 K35N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.14Å; N32-K35 WeakPolarHBondContact ND2-CB 3.44Å; N32-K35 PolarHBondContact O-N 3.22Å; N32-K35 WeakPolarHBondContact OD1-CB 3.16Å
33S54.8Low51.1Low84 Ų84138.4 Ų138.459%0.58769%0.689SS**Hα-helixtrans-50.1-41.6168.3168.10000113.9K35 M36 Q37S33-K35 VanDerWaalsContact C-N 3.26Å; S33-K35 PolarHBondContact O-N 3.02Å; S33-K35 VanDerWaalsContact O-N 3.14Å; S33-M36 PolarHBondContact O-N 3.38Å; S33-M36 VanDerWaalsContact O-N 3.13Å; S33-Q37 PolarHBondContact O-N 3.29Å
34K55.9Low51.7Low175 Ų175136.4 Ų136.476%0.76168%0.675SS**Hα-helixtrans-56.2-33.1-176.7-66.6-173.2177.5-176.20114.2N32N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.14Å
35K53.8Low53.3Low133 Ų133130.5 Ų130.558%0.57865%0.648SS**Hα-helixtrans-78.4-29.1-177.9-152173.6-172.1-177.60112.5N32 S33N32-K35 WeakPolarHBondContact ND2-CB 3.44Å; N32-K35 PolarHBondContact O-N 3.22Å; N32-K35 WeakPolarHBondContact OD1-CB 3.16Å; S33-K35 VanDerWaalsContact C-N 3.26Å; S33-K35 PolarHBondContact O-N 3.02Å; S33-K35 VanDerWaalsContact O-N 3.14Å
36M51.2Low55.6Low142 Ų142131.1 Ų131.170%0.764%0.641SS**Hα-helixtrans-69.5-41.1172.5-74.1-178.968.600112S33 S38 W39 Y40S33-M36 PolarHBondContact O-N 3.38Å; S33-M36 VanDerWaalsContact O-N 3.13Å; M36-S38 PolarHBondContact O-N 3.34Å; M36-W39 PolarHBondContact O-N 2.85Å; M36-Y40 PolarHBondContact O-N 3.37Å
37Q56.5Low57.3Low125 Ų125129.1 Ų129.158%0.58461%0.614SS**Hα-helixtrans-56.8-39.4177.1-69.9-179.5-37.500112.4S33 Y40 S41S33-Q37 PolarHBondContact O-N 3.29Å; Q37-Y40 PolarHBondContact O-N 3.19Å; Q37-S41 WeakPolarHBondContact O-CB 3.33Å; Q37-S41 PolarHBondContact O-N 3.29Å; Q37-S41 PolarHBondContact O-OG 3.41Å
38S57Low59Low50 Ų50125.9 Ų125.935%0.3561%0.606SS.*Hα-helixtrans-61.3-48.2177.4178.90000112.8M36 S41 M42M36-S38 PolarHBondContact O-N 3.34Å; S38-S41 PolarHBondContact O-N 3.36Å; S38-S41 PolarHBondContact O-OG 3.03Å; S38-M42 WeakPolarHBondContact O-CG 3.3Å; S38-M42 PolarHBondContact O-N 3.13Å
39W61.5Low60.6Low173 Ų173122 Ų12266%0.65558%0.583SS**Hα-helixtrans-70.5-37.3179.3-75.165.1000111.9M36 S41 M42 L43M36-W39 PolarHBondContact O-N 2.85Å; W39-S41 PolarHBondContact O-N 3.41Å; W39-M42 PolarHBondContact O-N 2.84Å; W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.19Å
40Y57.6Low62.5Low167 Ų167116.4 Ų116.466%0.65556%0.556SS**Hα-helixtrans-63.8-40.5176.4-128.7-96.5000112M36 Q37 M42 L43 C44M36-Y40 PolarHBondContact O-N 3.37Å; Q37-Y40 PolarHBondContact O-N 3.19Å; Y40-M42 VanDerWaalsContact C-N 3.29Å; Y40-M42 PolarHBondContact O-N 2.87Å; Y40-L43 PolarHBondContact O-N 2.84Å; Y40-C44 PolarHBondContact O-N 2.99Å; Y40-C44 PolarHBondContact O-SG 3.04Å
41S57.1Low64Low41 Ų41110.4 Ų110.429%0.28753%0.526SS..Hα-helixtrans-71.1-21.8177.9690000114.1Q37 S38 W39Q37-S41 WeakPolarHBondContact O-CB 3.33Å; Q37-S41 PolarHBondContact O-N 3.29Å; Q37-S41 PolarHBondContact O-OG 3.41Å; S38-S41 PolarHBondContact O-N 3.36Å; S38-S41 PolarHBondContact O-OG 3.03Å; W39-S41 PolarHBondContact O-N 3.41Å
42M55.7Low65.6Low141 Ų141104 Ų10470%0.69551%0.506SS*.Hα-helixtrans-77.4-34.5169.6-68.5175.3178.600112.7S38 W39 Y40S38-M42 WeakPolarHBondContact O-CG 3.3Å; S38-M42 PolarHBondContact O-N 3.13Å; W39-M42 PolarHBondContact O-N 2.84Å; Y40-M42 VanDerWaalsContact C-N 3.29Å; Y40-M42 PolarHBondContact O-N 2.87Å
43L61.8Low67.1Low141 Ų141102.1 Ų102.174%0.73850%0.496SS*.Hα-helixtrans-82.1-34.1-178.8-68.6169.5000113.1W39 Y40W39-L43 WeakPolarHBondContact O-CG 3.44Å; W39-L43 PolarHBondContact O-N 3.19Å; Y40-L43 PolarHBondContact O-N 2.84Å
44C54.8Low68.7Low64 Ų6498.2 Ų98.243%0.43247%0.469SS..SBendtrans-131.194.317158.40000110.5Y40 T46Y40-C44 PolarHBondContact O-N 2.99Å; Y40-C44 PolarHBondContact O-SG 3.04Å; C44-T46 PolarHBondContact O-N 3.18Å
45P65.7Low70.3Confident63 Ų6395.1 Ų95.141%0.40945%0.452SS..  trans-62.3123.2177.225-33.7000109.8R50P45-R50 HydrophobicContact CB-CG 4.32Å; P45-R50 HydrophobicContact CG-CG 4.43Å; P45-R50 PolarHBondContact O-NE 2.99Å
46T79.9Confident71.9Confident68 Ų6895 Ų9542%0.41745%0.452SS..  trans-61.5155.5-176.165.10000110.7C44 K48 Q49 R50C44-T46 PolarHBondContact O-N 3.18Å; T46-K48 PolarHBondContact O-N 3.2Å; T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.1Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.3Å; T46-Q49 PolarHBondContact OG1-N 2.88Å; T46-Q49 PolarHBondContact OG1-OE1 2.76Å; T46-R50 PolarHBondContact O-N 3.39Å
47Y78.8Confident73.6Confident82 Ų8290.7 Ų90.732%0.32243%0.431SS..Hα-helixtrans-54.2-35.8175.3172.8-86000112.4R50 N51 R66 L67Y47-R50 PolarHBondContact O-N 2.93Å; Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 3.31Å; Y47-R66 WeakPolarHBondContact OH-CG 3.43Å; Y47-R66 PolarHBondContact OH-NE 3.43Å; Y47-L67 WeakPolarHBondContact CE2-O 3.39Å; Y47-L67 PolarHBondContact OH-O 2.67Å
48K79.9Confident75.1Confident154 Ų15485.3 Ų85.367%0.6741%0.406SS*.Hα-helixtrans-60.7-51.3174.6-70.7-169.7175.3-171.90111.9T46 R50 N51 E52T46-K48 PolarHBondContact O-N 3.2Å; K48-R50 PolarHBondContact O-N 2.93Å; K48-N51 PolarHBondContact O-N 2.78Å; K48-N51 VanDerWaalsContact O-N 3.16Å; K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 2.81Å
49Q83.3Confident76.3Confident63 Ų6387.5 Ų87.529%0.29442%0.421SS..Hα-helixtrans-59.3-46.2178.4-70.4161.6-63.800111.5T46 N51 E52 D53T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.1Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.3Å; T46-Q49 PolarHBondContact OG1-N 2.88Å; T46-Q49 PolarHBondContact OG1-OE1 2.76Å; Q49-N51 VanDerWaalsContact C-N 3.3Å; Q49-N51 PolarHBondContact O-N 2.98Å; Q49-E52 PolarHBondContact O-N 3.01Å; Q49-E52 VanDerWaalsContact O-N 3.17Å; Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 3.47Å
50R84Confident77.2Confident85 Ų8589.2 Ų89.232%0.32143%0.433SS..Hα-helixtrans-61.2-36.4176.3-75.5-170.7-80.1147.7-3.6113.2P45 T46 Y47 K48 F54 L67 D70P45-R50 HydrophobicContact CB-CG 4.32Å; P45-R50 HydrophobicContact CG-CG 4.43Å; P45-R50 PolarHBondContact O-NE 2.99Å; T46-R50 PolarHBondContact O-N 3.39Å; Y47-R50 PolarHBondContact O-N 2.93Å; K48-R50 PolarHBondContact O-N 2.93Å; R50-F54 WeakPolarHBondContact O-CB 3.16Å; R50-F54 PolarHBondContact O-N 2.85Å; R50-L67 HydrophobicContact CB-CD2 3.91Å; R50-L67 WeakPolarHBondContact O-CD2 3.44Å; R50-D70 WeakPolarHBondContact CD-OD1 3.49Å; R50-D70 IonicContact CZ-OD1 3.43Å; R50-D70 IonicContact NE-OD1 2.68Å; R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 PolarHBondContact NH1-OD1 2.86Å
51N86.7Confident78.5Confident24 Ų2482.6 Ų82.613%0.12841%0.409CS..Hα-helixtrans-70.8-39.2174.5-173.195.6000112.2Y47 K48 Q49 F54 R55 L67Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 3.31Å; K48-N51 PolarHBondContact O-N 2.78Å; K48-N51 VanDerWaalsContact O-N 3.16Å; Q49-N51 VanDerWaalsContact C-N 3.3Å; Q49-N51 PolarHBondContact O-N 2.98Å; N51-F54 PolarHBondContact O-N 3.41Å; N51-R55 WeakPolarHBondContact O-CG 3.23Å; N51-R55 PolarHBondContact O-N 2.91Å; N51-L67 HydrophobicContact CB-CB 4.22Å; N51-L67 WeakPolarHBondContact OD1-CB 3.4Å; N51-L67 PolarHBondContact OD1-N 3.16Å
52E86.9Confident79.9Confident102 Ų10283.8 Ų83.848%0.47742%0.416SS..Hα-helixtrans-63.2-43173.4-73165.7-148.800111.7K48 Q49 R55 K56K48-E52 WeakPolarHBondContact O-CG 3.47Å; K48-E52 PolarHBondContact O-N 2.81Å; Q49-E52 PolarHBondContact O-N 3.01Å; Q49-E52 VanDerWaalsContact O-N 3.17Å; E52-R55 PolarHBondContact O-N 3.09Å; E52-K56 WeakPolarHBondContact O-CE 3.35Å; E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 2.71Å
53D87.3Confident80.9Confident67 Ų6784 Ų8436%0.35842%0.415SS..Hα-helixtrans-67.2-40.5176.9-65.2-28.5000111.4Q49 R55 K56 L57Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 3.47Å; D53-R55 VanDerWaalsContact C-N 3.34Å; D53-R55 PolarHBondContact O-N 2.95Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.42Å; D53-K56 VanDerWaalsContact O-N 3.13Å; D53-K56 IonicContact OD1-NZ 2.76Å; D53-K56 PolarHBondContact OD1-NZ 2.76Å; D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.13Å
54F88.4Confident81.9Confident2 Ų281.4 Ų81.41%0.00941%0.414CS..Hα-helixtrans-55.5-45.8169.5170.3-105.9000112.1R50 N51 K56 L57 F58 L61 L67 Y86 C93R50-F54 WeakPolarHBondContact O-CB 3.16Å; R50-F54 PolarHBondContact O-N 2.85Å; N51-F54 PolarHBondContact O-N 3.41Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.83Å; F54-L57 PolarHBondContact O-N 2.82Å; F54-F58 AromaticContact CD2-CD2 3.47Å; F54-F58 HydrophobicContact CD2-CD2 3.47Å; F54-F58 VanDerWaalsContact CD2-CD2 3.47Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE2-CB 4.37Å; F54-F58 AromaticContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CE2 4.15Å; F54-F58 HydrophobicContact CE2-CG 4.14Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 PolarHBondContact O-N 2.97Å; F54-L61 HydrophobicContact CE1-CD1 4.14Å; F54-L61 HydrophobicContact CE2-CD1 4.14Å; F54-L61 HydrophobicContact CZ-CD1 3.48Å; F54-L61 VanDerWaalsContact CZ-CD1 3.48Å; F54-L67 HydrophobicContact CB-CB 4.29Å; F54-L67 HydrophobicContact CB-CD2 4.14Å; F54-L67 HydrophobicContact CD1-CB 3.96Å; F54-L67 HydrophobicContact CD2-CD1 4.3Å; F54-L67 HydrophobicContact CG-CB 4.14Å; F54-L67 HydrophobicContact CG-CD1 4.33Å; F54-Y86 HydrophobicContact CB-CD1 4.16Å; F54-Y86 HydrophobicContact CB-CE1 4.41Å; F54-Y86 AromaticContact CD2-CD1 3.7Å; F54-Y86 HydrophobicContact CD2-CD1 3.7Å; F54-Y86 AromaticContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CE2-CG 4.29Å; F54-Y86 HydrophobicContact CG-CD1 4.33Å; F54-C93 HydrophobicContact CE2-CB 4.06Å
55R87.6Confident83.4Confident110 Ų11079 Ų7942%0.41540%0.396SS..Hα-helixtrans-68.5-23.8177-64.9-141.4-68.7147.7-17.6114N51 E52 D53 S59 E63N51-R55 WeakPolarHBondContact O-CG 3.23Å; N51-R55 PolarHBondContact O-N 2.91Å; E52-R55 PolarHBondContact O-N 3.09Å; D53-R55 VanDerWaalsContact C-N 3.34Å; D53-R55 PolarHBondContact O-N 2.95Å; R55-S59 WeakPolarHBondContact O-CA 3.39Å; R55-S59 PolarHBondContact O-N 3.27Å; R55-E63 IonicContact CZ-OE1 3.7Å; R55-E63 VanDerWaalsContact CZ-OE1 3.27Å; R55-E63 VanDerWaalsContact NH1-CD 3.3Å; R55-E63 IonicContact NH1-OE1 2.68Å; R55-E63 PolarHBondContact NH1-OE1 3.06Å; R55-E63 IonicContact NH2-OE1 3.18Å; R55-E63 PolarHBondContact NH2-OE1 3.29Å
56K87.9Confident84.4Confident131 Ų13182.2 Ų82.257%0.5740%0.4SS*.Hα-helixtrans-72.9-47.1170.4-65.9162.7-151.8161.90111.3E52 D53 F54E52-K56 WeakPolarHBondContact O-CE 3.35Å; E52-K56 WeakPolarHBondContact O-CG 3.39Å; E52-K56 PolarHBondContact O-N 2.71Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 3.42Å; D53-K56 VanDerWaalsContact O-N 3.13Å; D53-K56 IonicContact OD1-NZ 2.76Å; D53-K56 PolarHBondContact OD1-NZ 2.76Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.83Å
57L88Confident84.9Confident52 Ų5279 Ų7927%0.27238%0.38SS..Hα-helixtrans-67.2-37.8-179.4-65.3-180000112.5D53 F54 Y86 Y95D53-L57 WeakPolarHBondContact O-CG 3.31Å; D53-L57 PolarHBondContact O-N 3.13Å; F54-L57 PolarHBondContact O-N 2.82Å; L57-Y86 HydrophobicContact CD1-CE2 4.31Å; L57-Y86 WeakPolarHBondContact CD1-OH 3.43Å; L57-Y95 HydrophobicContact CB-CD2 4.4Å; L57-Y95 HydrophobicContact CD1-CD1 4.36Å; L57-Y95 HydrophobicContact CD1-CD2 4.09Å; L57-Y95 HydrophobicContact CD1-CG 4.01Å; L57-Y95 HydrophobicContact CD2-CD2 3.89Å; L57-Y95 HydrophobicContact CD2-CE2 3.59Å; L57-Y95 HydrophobicContact CD2-CG 4.5Å; L57-Y95 HydrophobicContact CG-CD2 4.35Å
58F87.1Confident85.5Confident11 Ų1177.9 Ų77.95%0.04838%0.379CS..THydrogen-bonded Turntrans-116.946.8-175.6-59.3-81.2000111.8F54 K60 L61 Y86 C93 T104F54-F58 AromaticContact CD2-CD2 3.47Å; F54-F58 HydrophobicContact CD2-CD2 3.47Å; F54-F58 VanDerWaalsContact CD2-CD2 3.47Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CG 4.39Å; F54-F58 HydrophobicContact CE2-CB 4.37Å; F54-F58 AromaticContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CD2 3.57Å; F54-F58 HydrophobicContact CE2-CE2 4.15Å; F54-F58 HydrophobicContact CE2-CG 4.14Å; F54-F58 HydrophobicContact CG-CD2 4.42Å; F54-F58 PolarHBondContact O-N 2.97Å; F58-K60 PolarHBondContact O-N 2.98Å; F58-L61 HydrophobicContact CB-CD1 3.54Å; F58-L61 HydrophobicContact CB-CG 3.91Å; F58-L61 HydrophobicContact CG-CD1 4.29Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.47Å; F58-Y86 AromaticContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CE2 4.11Å; F58-Y86 HydrophobicContact CE2-CG 4.24Å; F58-Y86 HydrophobicContact CZ-CD2 4.29Å; F58-C93 HydrophobicContact CD1-CB 3.98Å; F58-C93 HydrophobicContact CD2-CB 4.27Å; F58-C93 HydrophobicContact CE1-CB 3.66Å; F58-C93 HydrophobicContact CE2-CB 3.98Å; F58-C93 HydrophobicContact CG-CB 4.27Å; F58-C93 HydrophobicContact CZ-CB 3.66Å; F58-T104 HydrophobicContact CE1-CG2 3.94Å; F58-T104 HydrophobicContact CZ-CG2 4.39Å
59S82Confident86.1Confident96 Ų9672.2 Ų72.267%0.67136%0.357SS*.THydrogen-bonded Turntrans-59.5-6.1179.957.10000115.8R55R55-S59 WeakPolarHBondContact O-CA 3.39Å; R55-S59 PolarHBondContact O-N 3.27Å
60K81.3Confident86.5Confident210 Ų21069.8 Ų69.891%0.91335%0.347SS*.THydrogen-bonded Turntrans-90.2-7.5173.8-60.9-179.8-178.5176.40113.9F58F58-K60 PolarHBondContact O-N 2.98Å
61L85Confident86.9Confident27 Ų2767.9 Ų67.914%0.14134%0.34CS..SBendtrans-80.6156.1178-65.7177.5000111.8F54 F58 W91F54-L61 HydrophobicContact CE1-CD1 4.14Å; F54-L61 HydrophobicContact CE2-CD1 4.14Å; F54-L61 HydrophobicContact CZ-CD1 3.48Å; F54-L61 VanDerWaalsContact CZ-CD1 3.48Å; F58-L61 HydrophobicContact CB-CD1 3.54Å; F58-L61 HydrophobicContact CB-CG 3.91Å; F58-L61 HydrophobicContact CG-CD1 4.29Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.47Å; L61-W91 HydrophobicContact CD2-CD2 3.49Å; L61-W91 VanDerWaalsContact CD2-CD2 3.49Å; L61-W91 HydrophobicContact CD2-CE3 3.71Å; L61-W91 HydrophobicContact CD2-CG 3.92Å; L61-W91 HydrophobicContact CD2-CH2 4.15Å; L61-W91 HydrophobicContact CD2-CZ2 3.98Å; L61-W91 HydrophobicContact CD2-CZ3 4.04Å
62P85.6Confident87.2Confident66 Ų6670 Ų7043%0.42936%0.357SS..  trans-57.7141.8172.3-21.832.6000112.3A64 E65P62-A64 PolarHBondContact O-N 3.41Å; P62-A64 VanDerWaalsContact O-N 3.13Å; P62-E65 HydrophobicContact CB-CG 4.33Å; P62-E65 HydrophobicContact CG-CG 4.35Å; P62-E65 WeakPolarHBondContact O-CB 3.48Å; P62-E65 PolarHBondContact O-N 3.42Å
63E78.1Confident87.4Confident147 Ų14765.4 Ų65.469%0.68734%0.336SS*.THydrogen-bonded Turntrans-64-18.8179.4173.8150.3-132.300113.7R55 E65R55-E63 IonicContact CZ-OE1 3.7Å; R55-E63 VanDerWaalsContact CZ-OE1 3.27Å; R55-E63 VanDerWaalsContact NH1-CD 3.3Å; R55-E63 IonicContact NH1-OE1 2.68Å; R55-E63 PolarHBondContact NH1-OE1 3.06Å; R55-E63 IonicContact NH2-OE1 3.18Å; R55-E63 PolarHBondContact NH2-OE1 3.29Å; E63-E65 VanDerWaalsContact C-N 3.26Å; E63-E65 PolarHBondContact O-N 2.82Å
64A82.6Confident87.7Confident85 Ų8562.6 Ų62.670%0.70232%0.321SS*.THydrogen-bonded Turntrans-67-23.317100000113.5P62 R66P62-A64 PolarHBondContact O-N 3.41Å; P62-A64 VanDerWaalsContact O-N 3.13Å; A64-R66 PolarHBondContact O-N 3.42Å
65E85.8Confident87.8Confident14 Ų1462.5 Ų62.57%0.06532%0.321CS..  trans-71.2126.5-177.1-67.9-57.5137.100112P62 E63 S88 E89 N90 W91P62-E65 HydrophobicContact CB-CG 4.33Å; P62-E65 HydrophobicContact CG-CG 4.35Å; P62-E65 WeakPolarHBondContact O-CB 3.48Å; P62-E65 PolarHBondContact O-N 3.42Å; E63-E65 VanDerWaalsContact C-N 3.26Å; E63-E65 PolarHBondContact O-N 2.82Å; E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 2.9Å; E65-E89 PolarHBondContact OE2-N 3.25Å; E65-N90 WeakPolarHBondContact OE1-CB 3.44Å; E65-N90 PolarHBondContact OE1-ND2 2.61Å; E65-N90 PolarHBondContact OE2-N 3.11Å; E65-W91 VanDerWaalsContact CD-CD1 3.4Å
66R86.3Confident87.9Confident130 Ų13060.8 Ų60.849%0.49132%0.318SS..  trans-118.5133.3-175.2-175-177.7-179.293-6.2110.6Y47 A64 I68 S88Y47-R66 WeakPolarHBondContact OH-CG 3.43Å; Y47-R66 PolarHBondContact OH-NE 3.43Å; A64-R66 PolarHBondContact O-N 3.42Å; R66-I68 PolarHBondContact O-N 3.48Å; R66-I68 VanDerWaalsContact O-N 3.16Å; R66-S88 VanDerWaalsContact C-OG 3.26Å; R66-S88 PolarHBondContact N-OG 3.12Å; R66-S88 VanDerWaalsContact O-CA 3.32Å; R66-S88 WeakPolarHBondContact O-CA 3.36Å; R66-S88 WeakPolarHBondContact O-CB 3.41Å; R66-S88 PolarHBondContact O-OG 2.79Å
67L90.6Very high87.8Confident1 Ų159.4 Ų59.41%0.00531%0.309CS..  trans-65.9114.6175.6178.563.3000110Y47 R50 N51 F54 V69 Y86Y47-L67 WeakPolarHBondContact CE2-O 3.39Å; Y47-L67 PolarHBondContact OH-O 2.67Å; R50-L67 HydrophobicContact CB-CD2 3.91Å; R50-L67 WeakPolarHBondContact O-CD2 3.44Å; N51-L67 HydrophobicContact CB-CB 4.22Å; N51-L67 WeakPolarHBondContact OD1-CB 3.4Å; N51-L67 PolarHBondContact OD1-N 3.16Å; F54-L67 HydrophobicContact CB-CB 4.29Å; F54-L67 HydrophobicContact CB-CD2 4.14Å; F54-L67 HydrophobicContact CD1-CB 3.96Å; F54-L67 HydrophobicContact CD2-CD1 4.3Å; F54-L67 HydrophobicContact CG-CB 4.14Å; F54-L67 HydrophobicContact CG-CD1 4.33Å; L67-V69 WeakPolarHBondContact CD1-O 3.47Å; L67-Y86 HydrophobicContact CD1-CD1 3.73Å; L67-Y86 HydrophobicContact CD1-CG 4.27Å; L67-Y86 HydrophobicContact CD2-CD1 4.18Å
68I91.5Very high87.7Confident58 Ų5866.3 Ų66.330%0.29734%0.34SS..  trans-78.4-52.3173.4-60.1-179.6000109.3R66 L87 S88 E89 L151 L155R66-I68 PolarHBondContact O-N 3.48Å; R66-I68 VanDerWaalsContact O-N 3.16Å; I68-L87 WeakPolarHBondContact CB-O 3.28Å; I68-L87 PolarHBondContact N-O 2.77Å; I68-S88 WeakPolarHBondContact CD1-O 3.42Å; I68-E89 HydrophobicContact CD1-CG 3.89Å; I68-E89 HydrophobicContact CG1-CG 4.24Å; I68-L151 HydrophobicContact CG2-CD2 4.43Å; I68-L155 HydrophobicContact CD1-CD1 3.94Å; I68-L155 HydrophobicContact CD1-CD2 3.4Å; I68-L155 VanDerWaalsContact CD1-CD2 3.4Å; I68-L155 HydrophobicContact CD1-CG 4.33Å
69V91.5Very high87.7Confident35 Ų3570.6 Ų70.621%0.21236%0.362CS..EExtended strand (participates in β ladder)trans-160.2156.8178.771.30000110.8L67 Y71 L87 L151L67-V69 WeakPolarHBondContact CD1-O 3.47Å; V69-Y71 HydrophobicContact CG1-CD2 4.1Å; V69-Y71 HydrophobicContact CG1-CE2 3.43Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.43Å; V69-Y71 HydrophobicContact CG2-CE2 4.47Å; V69-L87 HydrophobicContact CG1-CB 4.32Å; V69-L87 HydrophobicContact CG1-CD1 4.05Å; V69-L87 HydrophobicContact CG1-CG 4.39Å; V69-L87 PolarHBondContact N-O 3.45Å; V69-L87 PolarHBondContact O-N 3.09Å; V69-L151 HydrophobicContact CB-CD2 4.46Å; V69-L151 HydrophobicContact CG1-CD2 3.38Å
70D92.1Very high88Confident13 Ų1370 Ų707%0.0735%0.351CS..EExtended strand (participates in β ladder)trans-119.5145.9168.968.2-64.1000112.1R50 R84 L85 Y86R50-D70 WeakPolarHBondContact CD-OD1 3.49Å; R50-D70 IonicContact CZ-OD1 3.43Å; R50-D70 IonicContact NE-OD1 2.68Å; R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 PolarHBondContact NH1-OD1 2.86Å; D70-R84 IonicContact OD2-CZ 2.71Å; D70-R84 IonicContact OD2-NE 3.96Å; D70-R84 PolarHBondContact OD2-NE 3.23Å; D70-R84 IonicContact OD2-NH2 2.86Å; D70-R84 PolarHBondContact OD2-NH2 3.36Å; D70-L85 CarbonylContact C-O 3.48Å; D70-L85 WeakPolarHBondContact CA-O 3.42Å; D70-Y86 HydrophobicContact CB-CD1 3.77Å; D70-Y86 HydrophobicContact CB-CE1 4.02Å; D70-Y86 HydrophobicContact CB-CG 4.31Å
71Y92.6Very high88.5Confident45 Ų4561 Ų6118%0.17631%0.313CS..EExtended strand (participates in β ladder)trans-129.2130.1179.4-66-72.6000110.5V69 C73 R84 L85 L87 C148 L151V69-Y71 HydrophobicContact CG1-CD2 4.1Å; V69-Y71 HydrophobicContact CG1-CE2 3.43Å; V69-Y71 VanDerWaalsContact CG1-CE2 3.43Å; V69-Y71 HydrophobicContact CG2-CE2 4.47Å; Y71-C73 PolarHBondContact O-N 2.88Å; Y71-R84 CarbonylContact O-C 3.5Å; Y71-R84 WeakPolarHBondContact O-CA 3.42Å; Y71-L85 PolarHBondContact N-O 2.94Å; Y71-L85 PolarHBondContact O-N 2.92Å; Y71-L87 HydrophobicContact CD2-CD1 4.21Å; Y71-L87 HydrophobicContact CE2-CD1 3.82Å; Y71-C148 HydrophobicContact CD1-CB 4.41Å; Y71-C148 HydrophobicContact CD2-CB 4Å; Y71-C148 WeakPolarHBondContact CD2-SG 3.14Å; Y71-C148 HydrophobicContact CE1-CB 4.28Å; Y71-C148 HydrophobicContact CE2-CB 3.82Å; Y71-C148 HydrophobicContact CG-CB 4.28Å; Y71-L151 HydrophobicContact CE2-CD2 4.43Å
72S92.4Very high88.8Confident69 Ų6966.5 Ų66.548%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-66130.6166-53.40000110.2R84S72-R84 PolarHBondContact OG-NH1 2.82Å
73C92.6Very high89.2Confident5 Ų564 Ų643%0.03433%0.325CS..EExtended strand (participates in β ladder)trans-157.8175.4177.366.40000110.3Y71 G83 T140 F142Y71-C73 PolarHBondContact O-N 2.88Å; C73-G83 PolarHBondContact N-O 2.87Å; C73-G83 CarbonylContact O-C 3.47Å; C73-G83 PolarHBondContact O-N 2.87Å; C73-T140 WeakPolarHBondContact CA-O 3.47Å; C73-T140 VanDerWaalsContact CB-O 3.32Å; C73-T140 WeakPolarHBondContact CB-O 3.4Å; C73-F142 HydrophobicContact CB-CD1 3.77Å; C73-F142 HydrophobicContact CB-CE1 3.58Å; C73-F142 HydrophobicContact CB-CE2 4.47Å; C73-F142 HydrophobicContact CB-CG 4.3Å; C73-F142 HydrophobicContact CB-CZ 3.98Å
74A92.2Very high90Very high7 Ų761.8 Ų61.86%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-122.3135.9168.700000110.5L80 L81 F139 T140A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; A74-L81 CarbonylContact C-O 3.44Å; A74-L81 VanDerWaalsContact CA-O 3.24Å; A74-L81 WeakPolarHBondContact CA-O 3.2Å; A74-F139 CarbonylContact O-C 3.6Å; A74-F139 WeakPolarHBondContact O-CA 3.24Å; A74-T140 PolarHBondContact N-O 3.25Å; A74-T140 PolarHBondContact O-N 2.9Å; A74-T140 PolarHBondContact O-OG1 2.87Å; A74-T140 VanDerWaalsContact O-OG1 3.07Å
75L92Very high90.6Very high1 Ų157.7 Ų57.71%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-85.5124.3171.2174.266.9000109R77 L81 F94 I105 H137 F139L75-R77 HydrophobicContact CD2-CG 4.12Å; L75-R77 HydrophobicContact CG-CG 4.2Å; L75-R77 PolarHBondContact O-N 3.06Å; L75-L81 HydrophobicContact CB-CB 4.36Å; L75-L81 PolarHBondContact N-O 2.81Å; L75-L81 PolarHBondContact O-N 2.85Å; L75-F94 HydrophobicContact CB-CD1 4.24Å; L75-F94 HydrophobicContact CB-CE1 3.62Å; L75-F94 HydrophobicContact CB-CE2 4.36Å; L75-F94 HydrophobicContact CB-CZ 3.7Å; L75-F94 HydrophobicContact CD2-CD1 4.15Å; L75-F94 HydrophobicContact CD2-CE1 4.06Å; L75-I105 HydrophobicContact CD2-CD1 3.42Å; L75-I105 VanDerWaalsContact CD2-CD1 3.42Å; L75-H137 HydrophobicContact CD1-CB 4.12Å; L75-F139 HydrophobicContact CB-CD1 4.18Å; L75-F139 HydrophobicContact CB-CE1 4.2Å; L75-F139 HydrophobicContact CD1-CD1 3.98Å; L75-F139 HydrophobicContact CD1-CE1 3.8Å; L75-F139 HydrophobicContact CD1-CG 4.48Å; L75-F139 HydrophobicContact CD1-CZ 4.15Å; L75-F139 HydrophobicContact CG-CE1 4.44Å
76Q89.6Confident91Very high73 Ų7358 Ų5834%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-82.4105.1170.2-177.372.772.200109.1L80 F138 T140Q76-L80 HydrophobicContact CB-CD2 4.13Å; Q76-L80 VanDerWaalsContact OE1-CD2 3.31Å; Q76-F138 HydrophobicContact CB-CB 4.02Å; Q76-F138 WeakPolarHBondContact CB-O 3.39Å; Q76-F138 PolarHBondContact N-O 3.1Å; Q76-T140 HydrophobicContact CB-CG2 4.16Å
77R85.9Confident91.3Very high103 Ų10351.9 Ų51.939%0.38925%0.254SS..SBendtrans-109.7-137155.4-68.3-170.1179.7-86.14.6107.1L75 I79 E135L75-R77 HydrophobicContact CD2-CG 4.12Å; L75-R77 HydrophobicContact CG-CG 4.2Å; L75-R77 PolarHBondContact O-N 3.06Å; R77-I79 PolarHBondContact N-O 2.92Å; R77-I79 VanDerWaalsContact N-O 3.09Å; R77-I79 PolarHBondContact O-N 2.69Å; R77-E135 IonicContact CZ-OE1 2.69Å; R77-E135 IonicContact CZ-OE2 3.58Å; R77-E135 IonicContact NH1-OE1 2.7Å; R77-E135 IonicContact NH1-OE2 3.27Å; R77-E135 PolarHBondContact NH1-OE2 3.16Å; R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.34Å; R77-E135 IonicContact NH2-OE2 3.65Å; R77-E135 PolarHBondContact NH2-OE2 3.45Å
78E85.4Confident91.4Very high196 Ų19651.9 Ų51.992%0.91625%0.254SS*.SBendtrans-56.5-36.7171.7-62.7173.5-178.900112.2
79I86.5Confident91.4Very high101 Ų10153.7 Ų53.752%0.51826%0.261SS..SBendtrans-121.9165.617162172.2000110.7R77 L81R77-I79 PolarHBondContact N-O 2.92Å; R77-I79 VanDerWaalsContact N-O 3.09Å; R77-I79 PolarHBondContact O-N 2.69Å; I79-L81 HydrophobicContact CD1-CD2 3.81Å; I79-L81 HydrophobicContact CG1-CD2 3.83Å; I79-L81 HydrophobicContact CG1-CG 4.28Å; I79-L81 PolarHBondContact O-N 3.35Å
80L87.7Confident91.4Very high83 Ų8354.9 Ų54.944%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-79.9102170.4-78.1168.8000110.1A74 Q76 Q82 T140A74-L80 HydrophobicContact CB-CB 4.49Å; A74-L80 HydrophobicContact CB-CD2 4.11Å; Q76-L80 HydrophobicContact CB-CD2 4.13Å; Q76-L80 VanDerWaalsContact OE1-CD2 3.31Å; L80-Q82 PolarHBondContact O-N 2.93Å; L80-T140 WeakPolarHBondContact CD2-OG1 3.5Å
81L92.4Very high91.5Very high22 Ų2256.5 Ų56.512%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-81.898.8175.4-63.6175.8000109.3A74 L75 I79 F94 T103A74-L81 CarbonylContact C-O 3.44Å; A74-L81 VanDerWaalsContact CA-O 3.24Å; A74-L81 WeakPolarHBondContact CA-O 3.2Å; L75-L81 HydrophobicContact CB-CB 4.36Å; L75-L81 PolarHBondContact N-O 2.81Å; L75-L81 PolarHBondContact O-N 2.85Å; I79-L81 HydrophobicContact CD1-CD2 3.81Å; I79-L81 HydrophobicContact CG1-CD2 3.83Å; I79-L81 HydrophobicContact CG1-CG 4.28Å; I79-L81 PolarHBondContact O-N 3.35Å; L81-F94 WeakPolarHBondContact O-CZ 3.32Å; L81-T103 HydrophobicContact CD1-CG2 4.2Å
82Q92.3Very high91.6Very high142 Ų14254.4 Ų54.466%0.66426%0.263SS*.EExtended strand (participates in β ladder)trans-70.9128.8177.5178179.6-56.400111L80 S96 I98L80-Q82 PolarHBondContact O-N 2.93Å; Q82-S96 PolarHBondContact O-OG 2.98Å; Q82-I98 HydrophobicContact CB-CD1 4.05Å
83G93.9Very high91.7Very high15 Ų1551.2 Ų51.216%0.15524%0.241CC..EExtended strand (participates in β ladder)trans-163.1-153.3-174.500000114.2C73 Y95C73-G83 PolarHBondContact N-O 2.87Å; C73-G83 CarbonylContact O-C 3.47Å; C73-G83 PolarHBondContact O-N 2.87Å; G83-Y95 CarbonylContact C-O 3.49Å; G83-Y95 WeakPolarHBondContact CA-O 3.43Å
84R93.9Very high91.8Very high99 Ų9951 Ų5137%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-133.4134.8175.3-56.5-176.487.685.2-1.7110.3D70 Y71 S72 Y86 F94 Y95D70-R84 IonicContact OD2-CZ 2.71Å; D70-R84 IonicContact OD2-NE 3.96Å; D70-R84 PolarHBondContact OD2-NE 3.23Å; D70-R84 IonicContact OD2-NH2 2.86Å; D70-R84 PolarHBondContact OD2-NH2 3.36Å; Y71-R84 CarbonylContact O-C 3.5Å; Y71-R84 WeakPolarHBondContact O-CA 3.42Å; S72-R84 PolarHBondContact OG-NH1 2.82Å; R84-Y86 HydrophobicContact CB-CD2 4.28Å; R84-Y86 HydrophobicContact CB-CE2 3.61Å; R84-Y86 WeakPolarHBondContact O-CD2 3.29Å; R84-F94 WeakPolarHBondContact O-CA 3.47Å; R84-F94 WeakPolarHBondContact O-CD2 3.43Å; R84-Y95 PolarHBondContact N-O 3.09Å; R84-Y95 PolarHBondContact O-N 3.4Å
85L94.6Very high92Very high0 Ų052.4 Ų52.40%024%0.244CC..EExtended strand (participates in β ladder)trans-90.3127.5166.8-164.573.5000108.4D70 Y71 L87 I92 C93 F94 F139 F142 I152D70-L85 CarbonylContact C-O 3.48Å; D70-L85 WeakPolarHBondContact CA-O 3.42Å; Y71-L85 PolarHBondContact N-O 2.94Å; Y71-L85 PolarHBondContact O-N 2.92Å; L85-L87 HydrophobicContact CD2-CD2 3.99Å; L85-L87 HydrophobicContact CG-CD2 4.11Å; L85-I92 HydrophobicContact CD1-CG2 3.66Å; L85-I92 HydrophobicContact CD2-CG2 4.37Å; L85-I92 HydrophobicContact CG-CG2 4.17Å; L85-C93 CarbonylContact C-O 3.6Å; L85-C93 WeakPolarHBondContact CA-O 3.32Å; L85-F94 HydrophobicContact CD1-CB 4.03Å; L85-F94 HydrophobicContact CD1-CD2 4.4Å; L85-F139 HydrophobicContact CD1-CD1 4.22Å; L85-F139 HydrophobicContact CD1-CE1 3.85Å; L85-F139 HydrophobicContact CD1-CE2 4.39Å; L85-F139 HydrophobicContact CD1-CZ 3.94Å; L85-F142 HydrophobicContact CD2-CE1 4.06Å; L85-F142 HydrophobicContact CD2-CZ 4.16Å; L85-I152 HydrophobicContact CD2-CD1 3.88Å
86Y94.6Very high92.1Very high21 Ų2152.4 Ų52.48%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-111.3128.1175.9-62.1-99.8000107.8F54 L57 F58 L67 D70 R84 C93F54-Y86 HydrophobicContact CB-CD1 4.16Å; F54-Y86 HydrophobicContact CB-CE1 4.41Å; F54-Y86 AromaticContact CD2-CD1 3.7Å; F54-Y86 HydrophobicContact CD2-CD1 3.7Å; F54-Y86 AromaticContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CD2-CG 3.76Å; F54-Y86 HydrophobicContact CE2-CG 4.29Å; F54-Y86 HydrophobicContact CG-CD1 4.33Å; L57-Y86 HydrophobicContact CD1-CE2 4.31Å; L57-Y86 WeakPolarHBondContact CD1-OH 3.43Å; F58-Y86 AromaticContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CD2 3.77Å; F58-Y86 HydrophobicContact CE2-CE2 4.11Å; F58-Y86 HydrophobicContact CE2-CG 4.24Å; F58-Y86 HydrophobicContact CZ-CD2 4.29Å; L67-Y86 HydrophobicContact CD1-CD1 3.73Å; L67-Y86 HydrophobicContact CD1-CG 4.27Å; L67-Y86 HydrophobicContact CD2-CD1 4.18Å; D70-Y86 HydrophobicContact CB-CD1 3.77Å; D70-Y86 HydrophobicContact CB-CE1 4.02Å; D70-Y86 HydrophobicContact CB-CG 4.31Å; R84-Y86 HydrophobicContact CB-CD2 4.28Å; R84-Y86 HydrophobicContact CB-CE2 3.61Å; R84-Y86 WeakPolarHBondContact O-CD2 3.29Å; Y86-C93 PolarHBondContact N-O 3.33Å; Y86-C93 PolarHBondContact O-N 3.45Å
87L93.7Very high92.1Very high1 Ų152.7 Ų52.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-108.1126.7177.6-55.7-177000109.2I68 V69 Y71 L85 I92 L151 I152 L155I68-L87 WeakPolarHBondContact CB-O 3.28Å; I68-L87 PolarHBondContact N-O 2.77Å; V69-L87 HydrophobicContact CG1-CB 4.32Å; V69-L87 HydrophobicContact CG1-CD1 4.05Å; V69-L87 HydrophobicContact CG1-CG 4.39Å; V69-L87 PolarHBondContact N-O 3.45Å; V69-L87 PolarHBondContact O-N 3.09Å; Y71-L87 HydrophobicContact CD2-CD1 4.21Å; Y71-L87 HydrophobicContact CE2-CD1 3.82Å; L85-L87 HydrophobicContact CD2-CD2 3.99Å; L85-L87 HydrophobicContact CG-CD2 4.11Å; L87-I92 HydrophobicContact CD2-CB 4.39Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.92Å; L87-L151 HydrophobicContact CD1-CD2 4.01Å; L87-L151 HydrophobicContact CD1-CG 4.12Å; L87-I152 HydrophobicContact CD1-CD1 4.39Å; L87-I152 HydrophobicContact CD1-CG1 3.55Å; L87-I152 HydrophobicContact CD2-CD1 4.21Å; L87-I152 HydrophobicContact CD2-CG1 3.73Å; L87-I152 HydrophobicContact CG-CG1 4.32Å; L87-L155 HydrophobicContact CB-CD1 4.13Å; L87-L155 HydrophobicContact CD1-CD1 4.39Å
88S92.3Very high92.2Very high0 Ų050 Ų500%024%0.24CC..  trans-111.1-171172.4-156.50000110.9E65 R66 I68 W91E65-S88 WeakPolarHBondContact OE2-CB 3.38Å; E65-S88 PolarHBondContact OE2-OG 2.9Å; R66-S88 VanDerWaalsContact C-OG 3.26Å; R66-S88 PolarHBondContact N-OG 3.12Å; R66-S88 VanDerWaalsContact O-CA 3.32Å; R66-S88 WeakPolarHBondContact O-CA 3.36Å; R66-S88 WeakPolarHBondContact O-CB 3.41Å; R66-S88 PolarHBondContact O-OG 2.79Å; I68-S88 WeakPolarHBondContact CD1-O 3.42Å; S88-W91 PolarHBondContact N-O 2.9Å
89E90.4Very high92.2Very high96 Ų9649.3 Ų49.345%0.44924%0.235SC..SBendtrans-73.7-39.5-177.8-70.9176.9-159.200111.3E65 I68 L109E65-E89 PolarHBondContact OE2-N 3.25Å; I68-E89 HydrophobicContact CD1-CG 3.89Å; I68-E89 HydrophobicContact CG1-CG 4.24Å; E89-L109 WeakPolarHBondContact O-CD1 3.46Å
90N92.1Very high92.1Very high61 Ų6155.9 Ų55.933%0.32625%0.253SS..SBendtrans-114.9-4.9177.7-57.5-76.5000114.4E65 L109E65-N90 WeakPolarHBondContact OE1-CB 3.44Å; E65-N90 PolarHBondContact OE1-ND2 2.61Å; E65-N90 PolarHBondContact OE2-N 3.11Å; N90-L109 WeakPolarHBondContact O-CB 3.4Å; N90-L109 PolarHBondContact O-N 2.97Å
91W94.1Very high92Very high46 Ų4661.6 Ų61.617%0.17427%0.269CS..EExtended strand (participates in β ladder)trans-131.4146.6-171.4-63.576.8000114.9L61 E65 S88 I107 Q108L61-W91 HydrophobicContact CD2-CD2 3.49Å; L61-W91 VanDerWaalsContact CD2-CD2 3.49Å; L61-W91 HydrophobicContact CD2-CE3 3.71Å; L61-W91 HydrophobicContact CD2-CG 3.92Å; L61-W91 HydrophobicContact CD2-CH2 4.15Å; L61-W91 HydrophobicContact CD2-CZ2 3.98Å; L61-W91 HydrophobicContact CD2-CZ3 4.04Å; E65-W91 VanDerWaalsContact CD-CD1 3.4Å; S88-W91 PolarHBondContact N-O 2.9Å; W91-I107 CarbonylContact C-O 3.52Å; W91-I107 WeakPolarHBondContact CA-O 3.48Å; W91-Q108 HydrophobicContact CD2-CG 3.91Å; W91-Q108 HydrophobicContact CE3-CG 3.74Å; W91-Q108 HydrophobicContact CH2-CG 3.5Å; W91-Q108 HydrophobicContact CZ2-CG 3.65Å; W91-Q108 HydrophobicContact CZ3-CG 3.53Å
92I94.8Very high92Very high2 Ų265.9 Ų65.91%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-109.4115.1165.3-54179.9000107.5L85 L87 I107 L109 V112 I130 I152L85-I92 HydrophobicContact CD1-CG2 3.66Å; L85-I92 HydrophobicContact CD2-CG2 4.37Å; L85-I92 HydrophobicContact CG-CG2 4.17Å; L87-I92 HydrophobicContact CD2-CB 4.39Å; L87-I92 HydrophobicContact CD2-CG1 4.22Å; L87-I92 HydrophobicContact CD2-CG2 3.92Å; I92-I107 HydrophobicContact CB-CB 4.3Å; I92-I107 PolarHBondContact N-O 3.38Å; I92-I107 PolarHBondContact O-N 2.91Å; I92-L109 HydrophobicContact CD1-CD2 3.61Å; I92-L109 HydrophobicContact CG1-CD2 3.55Å; I92-L109 HydrophobicContact CG1-CG 4.12Å; I92-V112 HydrophobicContact CD1-CG2 4.36Å; I92-I130 HydrophobicContact CD1-CD1 3.74Å; I92-I130 HydrophobicContact CG2-CD1 4.13Å; I92-I152 HydrophobicContact CD1-CG2 3.55Å
93C94.8Very high91.9Very high1 Ų160.9 Ų60.91%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-118.4140.6-176.7-71.40000110.9F54 F58 L85 Y86 I105 S106F54-C93 HydrophobicContact CE2-CB 4.06Å; F58-C93 HydrophobicContact CD1-CB 3.98Å; F58-C93 HydrophobicContact CD2-CB 4.27Å; F58-C93 HydrophobicContact CE1-CB 3.66Å; F58-C93 HydrophobicContact CE2-CB 3.98Å; F58-C93 HydrophobicContact CG-CB 4.27Å; F58-C93 HydrophobicContact CZ-CB 3.66Å; L85-C93 CarbonylContact C-O 3.6Å; L85-C93 WeakPolarHBondContact CA-O 3.32Å; Y86-C93 PolarHBondContact N-O 3.33Å; Y86-C93 PolarHBondContact O-N 3.45Å; C93-I105 CarbonylContact C-O 3.58Å; C93-I105 VanDerWaalsContact CA-O 3.27Å; C93-I105 WeakPolarHBondContact CA-O 3.37Å; C93-S106 PolarHBondContact SG-OG 2.75Å; C93-S106 VanDerWaalsContact SG-OG 3.35Å
94F95.4Very high91.8Very high1 Ų163.5 Ų63.50%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-126.9134.5176.7175.9-101.2000110.5L75 L81 R84 L85 T104 I105 F139L75-F94 HydrophobicContact CB-CD1 4.24Å; L75-F94 HydrophobicContact CB-CE1 3.62Å; L75-F94 HydrophobicContact CB-CE2 4.36Å; L75-F94 HydrophobicContact CB-CZ 3.7Å; L75-F94 HydrophobicContact CD2-CD1 4.15Å; L75-F94 HydrophobicContact CD2-CE1 4.06Å; L81-F94 WeakPolarHBondContact O-CZ 3.32Å; R84-F94 WeakPolarHBondContact O-CA 3.47Å; R84-F94 WeakPolarHBondContact O-CD2 3.43Å; L85-F94 HydrophobicContact CD1-CB 4.03Å; L85-F94 HydrophobicContact CD1-CD2 4.4Å; F94-T104 WeakPolarHBondContact O-CA 3.36Å; F94-I105 HydrophobicContact CB-CB 4.33Å; F94-I105 PolarHBondContact N-O 3.07Å; F94-I105 PolarHBondContact O-N 3.22Å; F94-F139 HydrophobicContact CB-CE1 3.82Å; F94-F139 HydrophobicContact CB-CZ 4.27Å; F94-F139 HydrophobicContact CD1-CE1 4.32Å; F94-F139 HydrophobicContact CD2-CD1 4.14Å; F94-F139 AromaticContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CE2-CD1 4.5Å; F94-F139 HydrophobicContact CE2-CE1 4.42Å; F94-F139 AromaticContact CG-CE1 3.69Å; F94-F139 HydrophobicContact CG-CE1 3.69Å
95Y94.8Very high91.8Very high37 Ų3759.8 Ų59.815%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-123.4129.6174.2-178.3-89.1000110L57 G83 R84 N97 E102 T104L57-Y95 HydrophobicContact CB-CD2 4.4Å; L57-Y95 HydrophobicContact CD1-CD1 4.36Å; L57-Y95 HydrophobicContact CD1-CD2 4.09Å; L57-Y95 HydrophobicContact CD1-CG 4.01Å; L57-Y95 HydrophobicContact CD2-CD2 3.89Å; L57-Y95 HydrophobicContact CD2-CE2 3.59Å; L57-Y95 HydrophobicContact CD2-CG 4.5Å; L57-Y95 HydrophobicContact CG-CD2 4.35Å; G83-Y95 CarbonylContact C-O 3.49Å; G83-Y95 WeakPolarHBondContact CA-O 3.43Å; R84-Y95 PolarHBondContact N-O 3.09Å; R84-Y95 PolarHBondContact O-N 3.4Å; Y95-N97 HydrophobicContact CE1-CB 3.68Å; Y95-N97 PolarHBondContact OH-ND2 3.47Å; Y95-N97 VanDerWaalsContact OH-ND2 3.12Å; Y95-E102 HydrophobicContact CD2-CG 4.39Å; Y95-E102 HydrophobicContact CE2-CG 3.56Å; Y95-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y95-E102 WeakPolarHBondContact CE2-OE2 3.5Å; Y95-E102 PolarHBondContact OH-OE2 3Å; Y95-T104 HydrophobicContact CD2-CG2 3.69Å; Y95-T104 HydrophobicContact CE2-CG2 4.3Å
96S93.9Very high91.7Very high1 Ų162.2 Ų62.21%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-131.8139.6170.1161.70000109.3Q82 E102 T103Q82-S96 PolarHBondContact O-OG 2.98Å; S96-E102 CarbonylContact O-C 3.49Å; S96-E102 WeakPolarHBondContact O-CA 3.45Å; S96-T103 PolarHBondContact N-O 3.47Å; S96-T103 PolarHBondContact O-N 3.47Å
97N91.2Very high91.7Very high78 Ų7861.4 Ų61.442%0.41728%0.282SS..EExtended strand (participates in β ladder)trans-136.5101.8171.3-172.6-27.5000108.4Y95 W101Y95-N97 HydrophobicContact CE1-CB 3.68Å; Y95-N97 PolarHBondContact OH-ND2 3.47Å; Y95-N97 VanDerWaalsContact OH-ND2 3.12Å; N97-W101 WeakPolarHBondContact CA-O 3.42Å
98I88.1Confident91.7Very high46 Ų4665.2 Ų65.224%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-132.3127.6-171.4-63.8-65.7000108Q82 R100 W101Q82-I98 HydrophobicContact CB-CD1 4.05Å; I98-R100 PolarHBondContact O-N 3.18Å; I98-R100 VanDerWaalsContact O-N 3.15Å; I98-W101 PolarHBondContact N-O 2.73Å; I98-W101 VanDerWaalsContact N-O 3.17Å; I98-W101 WeakPolarHBondContact O-CB 3.27Å; I98-W101 PolarHBondContact O-N 2.79Å
99F83.7Confident91.7Very high183 Ų18365.2 Ų65.280%0.80330%0.3SS*.THydrogen-bonded Turntrans50.433-171.8-55.1-64.6000114.6W101F99-W101 PolarHBondContact O-N 2.88Å
100R84.4Confident91.8Very high238 Ų23866.4 Ų66.490%0.89830%0.303SS*.THydrogen-bonded Turntrans68.94.4-172.3-51.7-178.4178.3179.8-0.2116I98 E102I98-R100 PolarHBondContact O-N 3.18Å; I98-R100 VanDerWaalsContact O-N 3.15Å; R100-E102 PolarHBondContact O-N 2.88Å
101W87.6Confident91.9Very high203 Ų20367 Ų6777%0.76930%0.304SS*.EExtended strand (participates in β ladder)trans-83.1110.4169.6-5888.1000108.9N97 I98 F99N97-W101 WeakPolarHBondContact CA-O 3.42Å; I98-W101 PolarHBondContact N-O 2.73Å; I98-W101 VanDerWaalsContact N-O 3.17Å; I98-W101 WeakPolarHBondContact O-CB 3.27Å; I98-W101 PolarHBondContact O-N 2.79Å; F99-W101 PolarHBondContact O-N 2.88Å
102E90.4Very high91.9Very high112 Ų11265 Ų6552%0.52330%0.297SS..EExtended strand (participates in β ladder)trans-82.5129.6173-173.3164.5117.200110.1Y95 S96 R100Y95-E102 HydrophobicContact CD2-CG 4.39Å; Y95-E102 HydrophobicContact CE2-CG 3.56Å; Y95-E102 VanDerWaalsContact CE2-OE2 3.29Å; Y95-E102 WeakPolarHBondContact CE2-OE2 3.5Å; Y95-E102 PolarHBondContact OH-OE2 3Å; S96-E102 CarbonylContact O-C 3.49Å; S96-E102 WeakPolarHBondContact O-CA 3.45Å; R100-E102 PolarHBondContact O-N 2.88Å
103T91Very high91.9Very high37 Ų3768.4 Ų68.423%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-127.1112.1175.3-59.30000108.4L81 S96L81-T103 HydrophobicContact CD1-CG2 4.2Å; S96-T103 PolarHBondContact N-O 3.47Å; S96-T103 PolarHBondContact O-N 3.47Å
104T92.9Very high91.7Very high71 Ų7170.1 Ų70.144%0.43633%0.329SS..EExtended strand (participates in β ladder)trans-107.3139.2170.839.30000110.4F58 F94 Y95F58-T104 HydrophobicContact CE1-CG2 3.94Å; F58-T104 HydrophobicContact CZ-CG2 4.39Å; F94-T104 WeakPolarHBondContact O-CA 3.36Å; Y95-T104 HydrophobicContact CD2-CG2 3.69Å; Y95-T104 HydrophobicContact CE2-CG2 4.3Å
105I92.5Very high91.6Very high21 Ų2171 Ų7111%0.10833%0.334CS..EExtended strand (participates in β ladder)trans-131.9136.5169.7-63176.2000106.8L75 C93 F94 I107L75-I105 HydrophobicContact CD2-CD1 3.42Å; L75-I105 VanDerWaalsContact CD2-CD1 3.42Å; C93-I105 CarbonylContact C-O 3.58Å; C93-I105 VanDerWaalsContact CA-O 3.27Å; C93-I105 WeakPolarHBondContact CA-O 3.37Å; F94-I105 HydrophobicContact CB-CB 4.33Å; F94-I105 PolarHBondContact N-O 3.07Å; F94-I105 PolarHBondContact O-N 3.22Å; I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 3.81Å
106S93.3Very high91.4Very high50 Ų5074 Ų7435%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-131.9116.3172.7-65.90000108.1C93C93-S106 PolarHBondContact SG-OG 2.75Å; C93-S106 VanDerWaalsContact SG-OG 3.35Å
107I94.1Very high91.2Very high4 Ų479.1 Ų79.12%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-112.2129.1-178.5-64.9153.5000107.7W91 I92 I105 E111 V112 T132 H137W91-I107 CarbonylContact C-O 3.52Å; W91-I107 WeakPolarHBondContact CA-O 3.48Å; I92-I107 HydrophobicContact CB-CB 4.3Å; I92-I107 PolarHBondContact N-O 3.38Å; I92-I107 PolarHBondContact O-N 2.91Å; I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 3.81Å; I107-E111 WeakPolarHBondContact CA-OE1 3.42Å; I107-E111 HydrophobicContact CG2-CG 4.18Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.17Å; I107-V112 HydrophobicContact CG2-CG2 3.7Å; I107-T132 HydrophobicContact CG1-CG2 4.33Å; I107-T132 HydrophobicContact CG2-CG2 3.75Å; I107-H137 WeakPolarHBondContact CD1-CD2 3.36Å
108Q93.7Very high90.6Very high81 Ų8178.6 Ų78.638%0.37937%0.365SS..EExtended strand (participates in β ladder)trans-74.6135.6168.7-67.8-166.416.900109.9W91 K110 E111W91-Q108 HydrophobicContact CD2-CG 3.91Å; W91-Q108 HydrophobicContact CE3-CG 3.74Å; W91-Q108 HydrophobicContact CH2-CG 3.5Å; W91-Q108 HydrophobicContact CZ2-CG 3.65Å; W91-Q108 HydrophobicContact CZ3-CG 3.53Å; Q108-K110 PolarHBondContact O-N 2.89Å; Q108-K110 VanDerWaalsContact O-N 3.13Å; Q108-E111 HydrophobicContact CB-CG 4.49Å; Q108-E111 PolarHBondContact N-OE1 3.13Å; Q108-E111 WeakPolarHBondContact O-CG 3.5Å; Q108-E111 PolarHBondContact O-N 3.39Å
109L93.3Very high89.7Confident1 Ų183.9 Ų83.91%0.00539%0.386CS..G310 helixtrans-57.8-29.8173.7-74.5165.9000111.8E89 N90 I92 E111 V112 L155 W156 A159E89-L109 WeakPolarHBondContact O-CD1 3.46Å; N90-L109 WeakPolarHBondContact O-CB 3.4Å; N90-L109 PolarHBondContact O-N 2.97Å; I92-L109 HydrophobicContact CD1-CD2 3.61Å; I92-L109 HydrophobicContact CG1-CD2 3.55Å; I92-L109 HydrophobicContact CG1-CG 4.12Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 2.96Å; L109-V112 PolarHBondContact O-N 3.42Å; L109-L155 HydrophobicContact CD1-CB 3.65Å; L109-L155 HydrophobicContact CD2-CB 4.41Å; L109-W156 HydrophobicContact CD2-CB 4.09Å; L109-A159 HydrophobicContact CB-CB 3.65Å; L109-A159 HydrophobicContact CD1-CB 4.47Å
110K92.5Very high88.5Confident120 Ų12078 Ų7852%0.52237%0.366SS..G310 helixtrans-69.4-21.6177.4-56.5-161.1-178.6-132.80114.5Q108 A159Q108-K110 PolarHBondContact O-N 2.89Å; Q108-K110 VanDerWaalsContact O-N 3.13Å; K110-A159 WeakPolarHBondContact CE-O 3.14Å; K110-A159 HydrophobicContact CG-CB 4.16Å; K110-A159 PolarHBondContact NZ-O 3.31Å
111E93.4Very high86.6Confident73 Ų7371 Ų7134%0.34136%0.358SS..G310 helixtrans-95.4-3.5178.393.4-157.8143.300112.9I107 Q108 L109 T113 T132I107-E111 WeakPolarHBondContact CA-OE1 3.42Å; I107-E111 HydrophobicContact CG2-CG 4.18Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.17Å; Q108-E111 HydrophobicContact CB-CG 4.49Å; Q108-E111 PolarHBondContact N-OE1 3.13Å; Q108-E111 WeakPolarHBondContact O-CG 3.5Å; Q108-E111 PolarHBondContact O-N 3.39Å; L109-E111 VanDerWaalsContact C-N 3.31Å; L109-E111 PolarHBondContact O-N 2.96Å; E111-T113 PolarHBondContact O-N 3.03Å; E111-T132 HydrophobicContact CG-CG2 3.79Å; E111-T132 VanDerWaalsContact O-CA 3.3Å; E111-T132 WeakPolarHBondContact O-CA 3.43Å
112V94.5Very high85Confident6 Ų671.5 Ų71.54%0.03637%0.366CS..  trans-72.7115.4175.3176.50000109.1I92 I107 L109 L115 I130 C131 W156I92-V112 HydrophobicContact CD1-CG2 4.36Å; I107-V112 HydrophobicContact CG2-CG2 3.7Å; L109-V112 PolarHBondContact O-N 3.42Å; V112-L115 HydrophobicContact CG1-CD1 3.84Å; V112-L115 HydrophobicContact CG1-CG 3.99Å; V112-I130 HydrophobicContact CG1-CG2 3.92Å; V112-I130 HydrophobicContact CG2-CG2 3.86Å; V112-C131 CarbonylContact C-O 3.58Å; V112-C131 WeakPolarHBondContact CA-O 3.4Å; V112-W156 HydrophobicContact CG1-CD2 4.35Å; V112-W156 HydrophobicContact CG1-CG 4.47Å; V112-W156 HydrophobicContact CG1-CZ2 4.36Å; V112-W156 VanDerWaalsContact O-CE2 3.31Å; V112-W156 WeakPolarHBondContact O-CZ2 3.33Å; V112-W156 PolarHBondContact O-NE1 3.5Å
113T94.1Very high83.2Confident73 Ų7373.5 Ų73.545%0.44838%0.379SS..  trans-88.8-29.9179.258.30000112.2E111 C131 T132 E133E111-T113 PolarHBondContact O-N 3.03Å; T113-C131 PolarHBondContact N-O 3.14Å; T113-C131 PolarHBondContact OG1-O 3.29Å; T113-T132 PolarHBondContact OG1-O 3.35Å; T113-E133 HydrophobicContact CG2-CB 4.49Å; T113-E133 HydrophobicContact CG2-CG 3.61Å
114C91.6Very high81.6Confident36 Ų3674.6 Ų74.624%0.24338%0.383CS..EExtended strand (participates in β ladder)trans-159.9132.4-173160.80000112.9C131C114-C131 HydrophobicContact CB-CB 3.9Å; C114-C131 PolarHBondContact N-O 2.84Å; C114-C131 PolarHBondContact O-N 3.28Å
115L93.1Very high79.8Confident19 Ų1974.2 Ų74.210%0.09938%0.382CS..EExtended strand (participates in β ladder)trans-117.5124.1175.6-94.5150.5000111.1V112 I128 I130 F149 I152 W156V112-L115 HydrophobicContact CG1-CD1 3.84Å; V112-L115 HydrophobicContact CG1-CG 3.99Å; L115-I128 HydrophobicContact CD2-CG2 4.07Å; L115-I130 HydrophobicContact CD2-CD1 4.3Å; L115-I130 HydrophobicContact CD2-CG1 3.86Å; L115-F149 HydrophobicContact CB-CE2 4.1Å; L115-F149 HydrophobicContact CD2-CE2 4.45Å; L115-I152 HydrophobicContact CD1-CG2 3.71Å; L115-I152 HydrophobicContact CD2-CG2 3.65Å; L115-I152 HydrophobicContact CG-CG2 4.33Å; L115-W156 HydrophobicContact CB-CE3 4.43Å; L115-W156 HydrophobicContact CB-CZ3 4.34Å; L115-W156 HydrophobicContact CD1-CB 4.01Å; L115-W156 HydrophobicContact CD1-CD2 3.8Å; L115-W156 HydrophobicContact CD1-CE3 3.63Å; L115-W156 HydrophobicContact CD1-CG 4Å; L115-W156 HydrophobicContact CD1-CZ3 4.32Å
116K90.8Very high79Confident100 Ų10076.4 Ų76.444%0.43539%0.394SS..EExtended strand (participates in β ladder)trans-129.4146.8-178.9-70.9179.3177.7-175.30113E118 I128 Q129K116-E118 HydrophobicContact CB-CG 4.2Å; K116-E118 WeakPolarHBondContact CD-OE1 3.2Å; K116-I128 WeakPolarHBondContact O-CA 3.45Å; K116-Q129 HydrophobicContact CB-CB 4.31Å; K116-Q129 PolarHBondContact N-O 2.86Å; K116-Q129 PolarHBondContact O-N 3.49Å
117K88.9Confident78.6Confident109 Ų10974 Ų7447%0.47438%0.377SS..  trans-9598.7168.1-72178.1-73-174.30108.4D146 F149K117-D146 WeakPolarHBondContact CD-OD1 3.49Å; K117-F149 HydrophobicContact CD-CB 4.22Å; K117-F149 HydrophobicContact CD-CD1 3.63Å; K117-F149 HydrophobicContact CD-CD2 4.15Å; K117-F149 HydrophobicContact CD-CE1 4.01Å; K117-F149 HydrophobicContact CD-CE2 4.47Å; K117-F149 HydrophobicContact CD-CG 3.7Å; K117-F149 HydrophobicContact CD-CZ 4.41Å; K117-F149 HydrophobicContact CG-CB 4.15Å; K117-F149 HydrophobicContact CG-CD1 3.88Å; K117-F149 HydrophobicContact CG-CD2 3.44Å; K117-F149 VanDerWaalsContact CG-CD2 3.44Å; K117-F149 HydrophobicContact CG-CE1 4.15Å; K117-F149 HydrophobicContact CG-CE2 3.72Å; K117-F149 HydrophobicContact CG-CG 3.52Å; K117-F149 HydrophobicContact CG-CZ 4.07Å
118E78.3Confident78.5Confident68 Ų6873.8 Ų73.832%0.31838%0.376SS..  trans-96.4159.7-176.8-72-59.3157.300112.5K116 A127 Q129 F138K116-E118 HydrophobicContact CB-CG 4.2Å; K116-E118 WeakPolarHBondContact CD-OE1 3.2Å; E118-A127 HydrophobicContact CB-CB 4.44Å; E118-A127 PolarHBondContact N-O 2.87Å; E118-Q129 HydrophobicContact CG-CB 3.91Å; E118-F138 HydrophobicContact CG-CE1 4.42Å
119K68.8Low78.5Confident157 Ų15770.7 Ų70.768%0.68336%0.362SS*.  trans-121.2108.6172.2-63.8177.1-175.7174.40108.2A121 P125K119-A121 PolarHBondContact O-N 3.32Å; K119-P125 HydrophobicContact CG-CB 4.28Å
120T58.9Low78.5Confident60 Ų6070.7 Ų70.737%0.36836%0.361SS..BIsolated β-bridgetrans-61.5124.5177.8-54.20000109.3K122 I124T120-K122 PolarHBondContact O-N 3.34Å; T120-I124 WeakPolarHBondContact CB-O 3.38Å; T120-I124 PolarHBondContact N-O 3.17Å; T120-I124 PolarHBondContact O-N 2.81Å
121A46Very low78.6Confident89 Ų8965.3 Ų65.374%0.73634%0.339SS*.THydrogen-bonded Turntrans-54.4138.7-170.700000112.3K119 L123K119-A121 PolarHBondContact O-N 3.32Å; A121-L123 PolarHBondContact O-N 2.94Å
122K52.2Low78.6Confident214 Ų21462.2 Ų62.293%0.9333%0.325SS*.THydrogen-bonded Turntrans68.5-13.2176.3-61.8-174176.3-179.20119.6T120T120-K122 PolarHBondContact O-N 3.34Å
123L53.8Low78.4Confident155 Ų15570.3 Ų70.381%0.81236%0.362SS*.THydrogen-bonded Turntrans-151.9-29.6175-147.764000120.2A121A121-L123 PolarHBondContact O-N 2.94Å
124I57.5Low78.1Confident59 Ų5971.7 Ų71.730%0.30338%0.375SS..BIsolated β-bridgetrans-121.8102.3-171.2-56.9-178.9000112T120 N126T120-I124 WeakPolarHBondContact CB-O 3.38Å; T120-I124 PolarHBondContact N-O 3.17Å; T120-I124 PolarHBondContact O-N 2.81Å; I124-N126 VanDerWaalsContact C-N 3.29Å; I124-N126 HydrophobicContact CG2-CB 4.47Å; I124-N126 PolarHBondContact O-N 3.43Å
125P55.7Low78.1Confident63 Ų6373.5 Ų73.541%0.40938%0.38SS..  trans-82.41.7-179.733.9-36.5000114.4K119 A127 R145K119-P125 HydrophobicContact CG-CB 4.28Å; P125-A127 PolarHBondContact O-N 2.59Å; P125-R145 PolarHBondContact O-NH1 3.39Å
126N74.1Confident78Confident67 Ų6779.1 Ų79.136%0.35840%0.404SS..  trans-102.554.6-169.9-69.1-18.6000112.7I124 T140 S141 F142I124-N126 VanDerWaalsContact C-N 3.29Å; I124-N126 HydrophobicContact CG2-CB 4.47Å; I124-N126 PolarHBondContact O-N 3.43Å; N126-T140 CarbonylContact O-C 3.6Å; N126-S141 PolarHBondContact O-N 3.18Å; N126-F142 PolarHBondContact O-N 2.7Å
127A86.2Confident78.1Confident0 Ų074.7 Ų74.70%038%0.384CS..  trans-115.3152.8179.900000113.7E118 P125 F139 T140 R145E118-A127 HydrophobicContact CB-CB 4.44Å; E118-A127 PolarHBondContact N-O 2.87Å; P125-A127 PolarHBondContact O-N 2.59Å; A127-F139 CarbonylContact C-O 3.49Å; A127-F139 WeakPolarHBondContact CA-O 3.33Å; A127-F139 WeakPolarHBondContact CB-O 3.49Å; A127-T140 HydrophobicContact CB-CG2 4.12Å; A127-R145 WeakPolarHBondContact O-CD 3.34Å
128I91.8Very high78.3Confident0 Ų073 Ų730%038%0.378CS..EExtended strand (participates in β ladder)trans-130.1123.6169.3-58.8173.7000106.8L115 K116 I130 F139 F142 R145 C148 F149 I152L115-I128 HydrophobicContact CD2-CG2 4.07Å; K116-I128 WeakPolarHBondContact O-CA 3.45Å; I128-I130 HydrophobicContact CG2-CG1 4.29Å; I128-F139 PolarHBondContact N-O 3.19Å; I128-F139 PolarHBondContact O-N 3Å; I128-F142 HydrophobicContact CB-CD2 4.46Å; I128-F142 HydrophobicContact CB-CE2 3.71Å; I128-F142 HydrophobicContact CB-CZ 4.29Å; I128-F142 HydrophobicContact CD1-CD2 3.99Å; I128-F142 HydrophobicContact CD1-CE1 4.39Å; I128-F142 HydrophobicContact CD1-CE2 3.68Å; I128-F142 HydrophobicContact CD1-CG 4.46Å; I128-F142 HydrophobicContact CD1-CZ 3.89Å; I128-F142 HydrophobicContact CG1-CD2 3.95Å; I128-F142 HydrophobicContact CG1-CE2 3.64Å; I128-F142 HydrophobicContact CG1-CZ 4.3Å; I128-R145 HydrophobicContact CD1-CG 4.24Å; I128-R145 HydrophobicContact CG1-CG 3.84Å; I128-C148 HydrophobicContact CD1-CB 4Å; I128-F149 HydrophobicContact CD1-CB 3.86Å; I128-F149 HydrophobicContact CG1-CB 4.36Å; I128-F149 HydrophobicContact CG2-CD2 4.06Å; I128-I152 HydrophobicContact CD1-CD1 4.46Å
129Q92.4Very high79Confident16 Ų1669.9 Ų69.98%0.07536%0.363CS..EExtended strand (participates in β ladder)trans-97.1129.1171.9-177.2-171.8-14.800109.3K116 E118 C131 H137 F138K116-Q129 HydrophobicContact CB-CB 4.31Å; K116-Q129 PolarHBondContact N-O 2.86Å; K116-Q129 PolarHBondContact O-N 3.49Å; E118-Q129 HydrophobicContact CG-CB 3.91Å; Q129-C131 PolarHBondContact NE2-SG 3.49Å; Q129-H137 WeakPolarHBondContact CA-O 3.48Å; Q129-F138 HydrophobicContact CB-CD1 3.97Å; Q129-F138 HydrophobicContact CB-CE1 3.92Å; Q129-F138 VanDerWaalsContact CD-CE1 3.45Å; Q129-F138 HydrophobicContact CG-CD1 3.98Å; Q129-F138 HydrophobicContact CG-CD2 4.47Å; Q129-F138 HydrophobicContact CG-CE1 3.68Å; Q129-F138 HydrophobicContact CG-CE2 4.21Å; Q129-F138 HydrophobicContact CG-CG 4.37Å; Q129-F138 HydrophobicContact CG-CZ 3.81Å; Q129-F138 VanDerWaalsContact OE1-CE1 3.23Å
130I94.3Very high80Confident0 Ų062.5 Ų62.50%033%0.331CS..EExtended strand (participates in β ladder)trans-113.4124.8172.1-47.8-169.6000107.3I92 V112 L115 I128 K136 H137 F139I92-I130 HydrophobicContact CD1-CD1 3.74Å; I92-I130 HydrophobicContact CG2-CD1 4.13Å; V112-I130 HydrophobicContact CG1-CG2 3.92Å; V112-I130 HydrophobicContact CG2-CG2 3.86Å; L115-I130 HydrophobicContact CD2-CD1 4.3Å; L115-I130 HydrophobicContact CD2-CG1 3.86Å; I128-I130 HydrophobicContact CG2-CG1 4.29Å; I130-K136 CarbonylContact O-C 3.56Å; I130-H137 PolarHBondContact N-O 3.49Å; I130-H137 PolarHBondContact O-N 3.03Å; I130-F139 HydrophobicContact CB-CE2 4.48Å; I130-F139 HydrophobicContact CD1-CD2 3.99Å; I130-F139 HydrophobicContact CD1-CE2 3.78Å; I130-F139 HydrophobicContact CG1-CD2 4.04Å; I130-F139 HydrophobicContact CG1-CE2 4.06Å
131C93.7Very high81.4Confident7 Ų762.6 Ų62.65%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-105.9128.7173.6-46.40000108.2V112 T113 C114 Q129 K136V112-C131 CarbonylContact C-O 3.58Å; V112-C131 WeakPolarHBondContact CA-O 3.4Å; T113-C131 PolarHBondContact N-O 3.14Å; T113-C131 PolarHBondContact OG1-O 3.29Å; C114-C131 HydrophobicContact CB-CB 3.9Å; C114-C131 PolarHBondContact N-O 2.84Å; C114-C131 PolarHBondContact O-N 3.28Å; Q129-C131 PolarHBondContact NE2-SG 3.49Å; C131-K136 HydrophobicContact CB-CG 4.18Å
132T93.8Very high83.3Confident9 Ų958.5 Ų58.56%0.05530%0.3CS..  trans-94.3-168.5162.958.80000108.9I107 E111 T113 S134 E135I107-T132 HydrophobicContact CG1-CG2 4.33Å; I107-T132 HydrophobicContact CG2-CG2 3.75Å; E111-T132 HydrophobicContact CG-CG2 3.79Å; E111-T132 VanDerWaalsContact O-CA 3.3Å; E111-T132 WeakPolarHBondContact O-CA 3.43Å; T113-T132 PolarHBondContact OG1-O 3.35Å; T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact OG1-N 2.68Å; T132-S134 PolarHBondContact OG1-OG 2.86Å; T132-E135 PolarHBondContact N-O 3.17Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-O 2.87Å
133E90.1Very high84.9Confident175 Ų17552.4 Ų52.482%0.81830%0.297SS*.SBendtrans-72.3-27.3163.4-62.2-171.7156.500112.2T113T113-E133 HydrophobicContact CG2-CB 4.49Å; T113-E133 HydrophobicContact CG2-CG 3.61Å
134S89.4Confident86.5Confident103 Ų10346.8 Ų46.872%0.7227%0.273SS*.SBendtrans-93.3-47.4-170.852.30000114.7T132T132-S134 VanDerWaalsContact C-N 3.31Å; T132-S134 PolarHBondContact OG1-N 2.68Å; T132-S134 PolarHBondContact OG1-OG 2.86Å
135E90.9Very high88Confident74 Ų7446.4 Ų46.435%0.34627%0.268SS..  trans-147.4-177-179.270.7166.3144.800113.6R77 T132 H137R77-E135 IonicContact CZ-OE1 2.69Å; R77-E135 IonicContact CZ-OE2 3.58Å; R77-E135 IonicContact NH1-OE1 2.7Å; R77-E135 IonicContact NH1-OE2 3.27Å; R77-E135 PolarHBondContact NH1-OE2 3.16Å; R77-E135 IonicContact NH2-OE1 2.92Å; R77-E135 PolarHBondContact NH2-OE1 3.34Å; R77-E135 IonicContact NH2-OE2 3.65Å; R77-E135 PolarHBondContact NH2-OE2 3.45Å; T132-E135 PolarHBondContact N-O 3.17Å; T132-E135 PolarHBondContact OG1-N 2.94Å; T132-E135 PolarHBondContact OG1-O 2.87Å; E135-H137 VanDerWaalsContact CG-CE1 3.47Å; E135-H137 WeakPolarHBondContact CG-CE1 3.32Å; E135-H137 IonicContact OE1-CE1 3.09Å; E135-H137 PolarHBondContact OE1-CE1 2.85Å; E135-H137 IonicContact OE1-ND1 3.84Å; E135-H137 IonicContact OE1-NE2 3.92Å; E135-H137 IonicContact OE2-CE1 3.94Å
136K91.3Very high89.6Confident137 Ų13746.6 Ų46.660%0.59627%0.266SS*.EExtended strand (participates in β ladder)trans-129.3106.7-175.7-70.7170.1-178.9162.60109.7I130 C131 F138I130-K136 CarbonylContact O-C 3.56Å; C131-K136 HydrophobicContact CB-CG 4.18Å; K136-F138 HydrophobicContact CB-CE2 4.19Å
137H92.8Very high90.5Very high6 Ų652.6 Ų52.63%0.02828%0.283CS..EExtended strand (participates in β ladder)trans-91.4121.9-178.8-53-78.8000110.6L75 I107 Q129 I130 E135 F139L75-H137 HydrophobicContact CD1-CB 4.12Å; I107-H137 WeakPolarHBondContact CD1-CD2 3.36Å; Q129-H137 WeakPolarHBondContact CA-O 3.48Å; I130-H137 PolarHBondContact N-O 3.49Å; I130-H137 PolarHBondContact O-N 3.03Å; E135-H137 VanDerWaalsContact CG-CE1 3.47Å; E135-H137 WeakPolarHBondContact CG-CE1 3.32Å; E135-H137 IonicContact OE1-CE1 3.09Å; E135-H137 PolarHBondContact OE1-CE1 2.85Å; E135-H137 IonicContact OE1-ND1 3.84Å; E135-H137 IonicContact OE1-NE2 3.92Å; E135-H137 IonicContact OE2-CE1 3.94Å; H137-F139 HydrophobicContact CB-CD2 4.14Å; H137-F139 HydrophobicContact CB-CE2 3.47Å; H137-F139 VanDerWaalsContact CB-CE2 3.47Å; H137-F139 HydrophobicContact CB-CZ 3.92Å
138F91.8Very high90.7Very high75 Ų7552.6 Ų52.633%0.32928%0.283SS..EExtended strand (participates in β ladder)trans-101.997.9176-73.3-92.6000109.9Q76 E118 Q129 K136Q76-F138 HydrophobicContact CB-CB 4.02Å; Q76-F138 WeakPolarHBondContact CB-O 3.39Å; Q76-F138 PolarHBondContact N-O 3.1Å; E118-F138 HydrophobicContact CG-CE1 4.42Å; Q129-F138 HydrophobicContact CB-CD1 3.97Å; Q129-F138 HydrophobicContact CB-CE1 3.92Å; Q129-F138 VanDerWaalsContact CD-CE1 3.45Å; Q129-F138 HydrophobicContact CG-CD1 3.98Å; Q129-F138 HydrophobicContact CG-CD2 4.47Å; Q129-F138 HydrophobicContact CG-CE1 3.68Å; Q129-F138 HydrophobicContact CG-CE2 4.21Å; Q129-F138 HydrophobicContact CG-CG 4.37Å; Q129-F138 HydrophobicContact CG-CZ 3.81Å; Q129-F138 VanDerWaalsContact OE1-CE1 3.23Å; K136-F138 HydrophobicContact CB-CE2 4.19Å
139F92.8Very high90.8Very high1 Ų153.6 Ų53.60%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-88138.3173.4-60.2-82000109.9A74 L75 L85 F94 A127 I128 I130 H137 F142A74-F139 CarbonylContact O-C 3.6Å; A74-F139 WeakPolarHBondContact O-CA 3.24Å; L75-F139 HydrophobicContact CB-CD1 4.18Å; L75-F139 HydrophobicContact CB-CE1 4.2Å; L75-F139 HydrophobicContact CD1-CD1 3.98Å; L75-F139 HydrophobicContact CD1-CE1 3.8Å; L75-F139 HydrophobicContact CD1-CG 4.48Å; L75-F139 HydrophobicContact CD1-CZ 4.15Å; L75-F139 HydrophobicContact CG-CE1 4.44Å; L85-F139 HydrophobicContact CD1-CD1 4.22Å; L85-F139 HydrophobicContact CD1-CE1 3.85Å; L85-F139 HydrophobicContact CD1-CE2 4.39Å; L85-F139 HydrophobicContact CD1-CZ 3.94Å; F94-F139 HydrophobicContact CB-CE1 3.82Å; F94-F139 HydrophobicContact CB-CZ 4.27Å; F94-F139 HydrophobicContact CD1-CE1 4.32Å; F94-F139 HydrophobicContact CD2-CD1 4.14Å; F94-F139 AromaticContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CD2-CE1 3.74Å; F94-F139 HydrophobicContact CE2-CD1 4.5Å; F94-F139 HydrophobicContact CE2-CE1 4.42Å; F94-F139 AromaticContact CG-CE1 3.69Å; F94-F139 HydrophobicContact CG-CE1 3.69Å; A127-F139 CarbonylContact C-O 3.49Å; A127-F139 WeakPolarHBondContact CA-O 3.33Å; A127-F139 WeakPolarHBondContact CB-O 3.49Å; I128-F139 PolarHBondContact N-O 3.19Å; I128-F139 PolarHBondContact O-N 3Å; I130-F139 HydrophobicContact CB-CE2 4.48Å; I130-F139 HydrophobicContact CD1-CD2 3.99Å; I130-F139 HydrophobicContact CD1-CE2 3.78Å; I130-F139 HydrophobicContact CG1-CD2 4.04Å; I130-F139 HydrophobicContact CG1-CE2 4.06Å; H137-F139 HydrophobicContact CB-CD2 4.14Å; H137-F139 HydrophobicContact CB-CE2 3.47Å; H137-F139 VanDerWaalsContact CB-CE2 3.47Å; H137-F139 HydrophobicContact CB-CZ 3.92Å; F139-F142 HydrophobicContact CB-CE2 3.43Å; F139-F142 VanDerWaalsContact CB-CE2 3.43Å; F139-F142 HydrophobicContact CB-CZ 3.4Å; F139-F142 HydrophobicContact CG-CZ 4.31Å; F139-F142 WeakPolarHBondContact O-CE2 3.35Å
140T90.7Very high90.9Very high3 Ų358.1 Ų58.12%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-135.9176.7-170.670.80000111.1C73 A74 Q76 L80 N126 A127 F142C73-T140 WeakPolarHBondContact CA-O 3.47Å; C73-T140 VanDerWaalsContact CB-O 3.32Å; C73-T140 WeakPolarHBondContact CB-O 3.4Å; A74-T140 PolarHBondContact N-O 3.25Å; A74-T140 PolarHBondContact O-N 2.9Å; A74-T140 PolarHBondContact O-OG1 2.87Å; A74-T140 VanDerWaalsContact O-OG1 3.07Å; Q76-T140 HydrophobicContact CB-CG2 4.16Å; L80-T140 WeakPolarHBondContact CD2-OG1 3.5Å; N126-T140 CarbonylContact O-C 3.6Å; A127-T140 HydrophobicContact CB-CG2 4.12Å; T140-F142 PolarHBondContact O-N 2.68Å; T140-F142 VanDerWaalsContact O-N 3.14Å
141S87.4Confident90.9Very high62 Ų6260.1 Ų60.143%0.43432%0.323SS..  trans58.526.9175.5-59.10000115.1N126 G143N126-S141 PolarHBondContact O-N 3.18Å; S141-G143 PolarHBondContact O-N 3.12Å
142F87.5Confident90.9Very high3 Ų359.8 Ų59.81%0.01332%0.32CS..  trans-67.8118.6174.6-69.8-77.6000111.7C73 L85 N126 I128 F139 T140 A144 R145 C148C73-F142 HydrophobicContact CB-CD1 3.77Å; C73-F142 HydrophobicContact CB-CE1 3.58Å; C73-F142 HydrophobicContact CB-CE2 4.47Å; C73-F142 HydrophobicContact CB-CG 4.3Å; C73-F142 HydrophobicContact CB-CZ 3.98Å; L85-F142 HydrophobicContact CD2-CE1 4.06Å; L85-F142 HydrophobicContact CD2-CZ 4.16Å; N126-F142 PolarHBondContact O-N 2.7Å; I128-F142 HydrophobicContact CB-CD2 4.46Å; I128-F142 HydrophobicContact CB-CE2 3.71Å; I128-F142 HydrophobicContact CB-CZ 4.29Å; I128-F142 HydrophobicContact CD1-CD2 3.99Å; I128-F142 HydrophobicContact CD1-CE1 4.39Å; I128-F142 HydrophobicContact CD1-CE2 3.68Å; I128-F142 HydrophobicContact CD1-CG 4.46Å; I128-F142 HydrophobicContact CD1-CZ 3.89Å; I128-F142 HydrophobicContact CG1-CD2 3.95Å; I128-F142 HydrophobicContact CG1-CE2 3.64Å; I128-F142 HydrophobicContact CG1-CZ 4.3Å; F139-F142 HydrophobicContact CB-CE2 3.43Å; F139-F142 VanDerWaalsContact CB-CE2 3.43Å; F139-F142 HydrophobicContact CB-CZ 3.4Å; F139-F142 HydrophobicContact CG-CZ 4.31Å; F139-F142 WeakPolarHBondContact O-CE2 3.35Å; T140-F142 PolarHBondContact O-N 2.68Å; T140-F142 VanDerWaalsContact O-N 3.14Å; F142-A144 PolarHBondContact O-N 3.3Å; F142-R145 HydrophobicContact CB-CB 4.07Å; F142-C148 HydrophobicContact CD1-CB 4.25Å; F142-C148 HydrophobicContact CE1-CB 4.43Å; F142-C148 WeakPolarHBondContact CE1-SG 3.29Å
143G85.6Confident90.9Very high85 Ų8563.3 Ų63.388%0.87634%0.335SS*.THydrogen-bonded Turntrans-64.4-15.8172.100000114.5S141S141-G143 PolarHBondContact O-N 3.12Å
144A86.4Confident91.1Very high38 Ų3863.9 Ų63.931%0.31433%0.329SS..THydrogen-bonded Turntrans-144.351.717800000112.1F142 D146 R147 C148F142-A144 PolarHBondContact O-N 3.3Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 2.9Å; A144-D146 VanDerWaalsContact O-N 3.12Å; A144-R147 HydrophobicContact CB-CB 4.4Å; A144-R147 PolarHBondContact O-N 3.15Å; A144-R147 VanDerWaalsContact O-N 3.09Å; A144-C148 PolarHBondContact O-N 2.72Å; A144-C148 VanDerWaalsContact O-N 3.11Å
145R89.6Confident91.3Very high50 Ų5059.9 Ų59.919%0.18930%0.3CS..Hα-helixtrans-38.9-54.8-174.6-174.6-159.562.2-140.3-7.7113.3P125 A127 I128 F142 R147 C148 F149P125-R145 PolarHBondContact O-NH1 3.39Å; A127-R145 WeakPolarHBondContact O-CD 3.34Å; I128-R145 HydrophobicContact CD1-CG 4.24Å; I128-R145 HydrophobicContact CG1-CG 3.84Å; F142-R145 HydrophobicContact CB-CB 4.07Å; R145-R147 PolarHBondContact O-N 3.39Å; R145-C148 WeakPolarHBondContact O-CB 3.44Å; R145-C148 PolarHBondContact O-N 3.37Å; R145-F149 WeakPolarHBondContact O-CB 3.44Å; R145-F149 PolarHBondContact O-N 3.19Å
146D90.1Very high91.4Very high68 Ų6858 Ų5836%0.36429%0.29SS..Hα-helixtrans-72.7-29.7-170.8-62.8-43.4000113.6K117 A144 L150K117-D146 WeakPolarHBondContact CD-OD1 3.49Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 2.9Å; A144-D146 VanDerWaalsContact O-N 3.12Å; D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.41Å; D146-L150 WeakPolarHBondContact O-CG 3.43Å; D146-L150 PolarHBondContact O-N 3.22Å
147R91.2Very high91.5Very high192 Ų19255.6 Ų55.673%0.72528%0.281SS*.Hα-helixtrans-68.2-42.9171-68.6-176.1-178.9163.60.5111A144 R145 L151A144-R147 HydrophobicContact CB-CB 4.4Å; A144-R147 PolarHBondContact O-N 3.15Å; A144-R147 VanDerWaalsContact O-N 3.09Å; R145-R147 PolarHBondContact O-N 3.39Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 PolarHBondContact O-N 2.91Å
148C92Very high91.4Very high0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-61.6-49.6176-174.50000110.9Y71 I128 F142 A144 R145 L150 L151 I152Y71-C148 HydrophobicContact CD1-CB 4.41Å; Y71-C148 HydrophobicContact CD2-CB 4Å; Y71-C148 WeakPolarHBondContact CD2-SG 3.14Å; Y71-C148 HydrophobicContact CE1-CB 4.28Å; Y71-C148 HydrophobicContact CE2-CB 3.82Å; Y71-C148 HydrophobicContact CG-CB 4.28Å; I128-C148 HydrophobicContact CD1-CB 4Å; F142-C148 HydrophobicContact CD1-CB 4.25Å; F142-C148 HydrophobicContact CE1-CB 4.43Å; F142-C148 WeakPolarHBondContact CE1-SG 3.29Å; A144-C148 PolarHBondContact O-N 2.72Å; A144-C148 VanDerWaalsContact O-N 3.11Å; R145-C148 WeakPolarHBondContact O-CB 3.44Å; R145-C148 PolarHBondContact O-N 3.37Å; C148-L150 PolarHBondContact O-N 3.23Å; C148-L151 PolarHBondContact O-N 3.41Å; C148-I152 VanDerWaalsContact O-CG1 3.28Å; C148-I152 WeakPolarHBondContact O-CG1 3.33Å; C148-I152 PolarHBondContact O-N 3.04Å; C148-I152 VanDerWaalsContact SG-CD1 3.59Å
149F93.6Very high91.3Very high22 Ų2257 Ų5710%0.09629%0.292CS..Hα-helixtrans-58.8-48177.2-179.6-93.4000112.7L115 K117 I128 R145 L151 I152 F153L115-F149 HydrophobicContact CB-CE2 4.1Å; L115-F149 HydrophobicContact CD2-CE2 4.45Å; K117-F149 HydrophobicContact CD-CB 4.22Å; K117-F149 HydrophobicContact CD-CD1 3.63Å; K117-F149 HydrophobicContact CD-CD2 4.15Å; K117-F149 HydrophobicContact CD-CE1 4.01Å; K117-F149 HydrophobicContact CD-CE2 4.47Å; K117-F149 HydrophobicContact CD-CG 3.7Å; K117-F149 HydrophobicContact CD-CZ 4.41Å; K117-F149 HydrophobicContact CG-CB 4.15Å; K117-F149 HydrophobicContact CG-CD1 3.88Å; K117-F149 HydrophobicContact CG-CD2 3.44Å; K117-F149 VanDerWaalsContact CG-CD2 3.44Å; K117-F149 HydrophobicContact CG-CE1 4.15Å; K117-F149 HydrophobicContact CG-CE2 3.72Å; K117-F149 HydrophobicContact CG-CG 3.52Å; K117-F149 HydrophobicContact CG-CZ 4.07Å; I128-F149 HydrophobicContact CD1-CB 3.86Å; I128-F149 HydrophobicContact CG1-CB 4.36Å; I128-F149 HydrophobicContact CG2-CD2 4.06Å; R145-F149 WeakPolarHBondContact O-CB 3.44Å; R145-F149 PolarHBondContact O-N 3.19Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.28Å; F149-I152 PolarHBondContact O-N 3.44Å; F149-F153 HydrophobicContact CE1-CB 4.49Å; F149-F153 VanDerWaalsContact O-CB 3.23Å; F149-F153 WeakPolarHBondContact O-CB 3.43Å; F149-F153 PolarHBondContact O-N 3.26Å
150L93.5Very high91Very high110 Ų11061.5 Ų61.558%0.57632%0.316SS*.Hα-helixtrans-63.6-36.7179.7-74.5169.9000112.3D146 C148 R154D146-L150 WeakPolarHBondContact O-CB 3.46Å; D146-L150 WeakPolarHBondContact O-CD1 3.41Å; D146-L150 WeakPolarHBondContact O-CG 3.43Å; D146-L150 PolarHBondContact O-N 3.22Å; C148-L150 PolarHBondContact O-N 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.25Å
151L94.2Very high90.4Very high43 Ų4370.7 Ų70.723%0.22536%0.364CS..Hα-helixtrans-71-46.9176.4-178.257.9000111.8I68 V69 Y71 L87 R147 C148 F149 F153 R154 L155I68-L151 HydrophobicContact CG2-CD2 4.43Å; V69-L151 HydrophobicContact CB-CD2 4.46Å; V69-L151 HydrophobicContact CG1-CD2 3.38Å; Y71-L151 HydrophobicContact CE2-CD2 4.43Å; L87-L151 HydrophobicContact CD1-CD2 4.01Å; L87-L151 HydrophobicContact CD1-CG 4.12Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 PolarHBondContact O-N 2.91Å; C148-L151 PolarHBondContact O-N 3.41Å; F149-L151 VanDerWaalsContact C-N 3.31Å; F149-L151 PolarHBondContact O-N 3.28Å; L151-F153 VanDerWaalsContact C-N 3.31Å; L151-F153 PolarHBondContact O-N 3.29Å; L151-R154 PolarHBondContact O-N 3.29Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 3.97Å; L151-L155 HydrophobicContact CG-CG 4.48Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.07Å
152I94.1Very high90.5Very high0 Ų071.2 Ų71.20%036%0.361CS..Hα-helixtrans-58-46175.4-65.5166.5000110.3L85 L87 I92 L115 I128 C148 F149 R154 L155 W156L85-I152 HydrophobicContact CD2-CD1 3.88Å; L87-I152 HydrophobicContact CD1-CD1 4.39Å; L87-I152 HydrophobicContact CD1-CG1 3.55Å; L87-I152 HydrophobicContact CD2-CD1 4.21Å; L87-I152 HydrophobicContact CD2-CG1 3.73Å; L87-I152 HydrophobicContact CG-CG1 4.32Å; I92-I152 HydrophobicContact CD1-CG2 3.55Å; L115-I152 HydrophobicContact CD1-CG2 3.71Å; L115-I152 HydrophobicContact CD2-CG2 3.65Å; L115-I152 HydrophobicContact CG-CG2 4.33Å; I128-I152 HydrophobicContact CD1-CD1 4.46Å; C148-I152 VanDerWaalsContact O-CG1 3.28Å; C148-I152 WeakPolarHBondContact O-CG1 3.33Å; C148-I152 PolarHBondContact O-N 3.04Å; C148-I152 VanDerWaalsContact SG-CD1 3.59Å; F149-I152 PolarHBondContact O-N 3.44Å; I152-R154 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.48Å; I152-W156 VanDerWaalsContact O-CB 3.31Å; I152-W156 WeakPolarHBondContact O-CB 3.48Å; I152-W156 PolarHBondContact O-N 3.49Å
153F93.9Very high90.7Very high83 Ų8374.7 Ų74.736%0.36438%0.379SS..Hα-helixtrans-61.1-43.2177.1-177.8-95.3000112F149 L151 W156 Q157F149-F153 HydrophobicContact CE1-CB 4.49Å; F149-F153 VanDerWaalsContact O-CB 3.23Å; F149-F153 WeakPolarHBondContact O-CB 3.43Å; F149-F153 PolarHBondContact O-N 3.26Å; L151-F153 VanDerWaalsContact C-N 3.31Å; L151-F153 PolarHBondContact O-N 3.29Å; F153-W156 AromaticContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CZ3 4.04Å; F153-W156 AromaticContact CE2-CE3 3.95Å; F153-W156 HydrophobicContact CE2-CE3 3.95Å; F153-W156 AromaticContact CE2-CZ3 3.88Å; F153-W156 HydrophobicContact CE2-CZ3 3.88Å; F153-W156 PolarHBondContact O-N 2.99Å; F153-Q157 HydrophobicContact CD1-CG 4.21Å; F153-Q157 HydrophobicContact CE1-CG 3.78Å; F153-Q157 HydrophobicContact CE2-CG 4.24Å; F153-Q157 HydrophobicContact CZ-CG 3.79Å; F153-Q157 VanDerWaalsContact O-CG 3.3Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 3.13Å
154R93.6Very high91Very high186 Ų18674.2 Ų74.270%0.70235%0.351SS*.Hα-helixtrans-61.4-44.8175.8-179.5178.6176.7177.4-0.2112.2L150 L151 I152 N158L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 3.25Å; L151-R154 PolarHBondContact O-N 3.29Å; I152-R154 PolarHBondContact O-N 3.33Å; R154-N158 WeakPolarHBondContact O-CB 3.44Å; R154-N158 PolarHBondContact O-N 3.32Å
155L94.1Very high91.3Very high20 Ų2076.3 Ų76.311%0.10535%0.353CS..Hα-helixtrans-66.9-40.4179-64.9168.1000111.1I68 L87 L109 L151 I152 N158 A159I68-L155 HydrophobicContact CD1-CD1 3.94Å; I68-L155 HydrophobicContact CD1-CD2 3.4Å; I68-L155 VanDerWaalsContact CD1-CD2 3.4Å; I68-L155 HydrophobicContact CD1-CG 4.33Å; L87-L155 HydrophobicContact CB-CD1 4.13Å; L87-L155 HydrophobicContact CD1-CD1 4.39Å; L109-L155 HydrophobicContact CD1-CB 3.65Å; L109-L155 HydrophobicContact CD2-CB 4.41Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 3.97Å; L151-L155 HydrophobicContact CG-CG 4.48Å; L151-L155 VanDerWaalsContact O-CG 3.29Å; L151-L155 WeakPolarHBondContact O-CG 3.4Å; L151-L155 PolarHBondContact O-N 3.07Å; I152-L155 PolarHBondContact O-N 3.48Å; L155-N158 WeakPolarHBondContact O-CB 3.42Å; L155-N158 PolarHBondContact O-N 3.24Å; L155-A159 PolarHBondContact O-N 2.96Å
156W93.7Very high91.4Very high35 Ų3577.9 Ų77.913%0.13336%0.364CS..Hα-helixtrans-58.3-51174.5179.241.5000112.1L109 V112 L115 I152 F153 N158 A159 L160L109-W156 HydrophobicContact CD2-CB 4.09Å; V112-W156 HydrophobicContact CG1-CD2 4.35Å; V112-W156 HydrophobicContact CG1-CG 4.47Å; V112-W156 HydrophobicContact CG1-CZ2 4.36Å; V112-W156 VanDerWaalsContact O-CE2 3.31Å; V112-W156 WeakPolarHBondContact O-CZ2 3.33Å; V112-W156 PolarHBondContact O-NE1 3.5Å; L115-W156 HydrophobicContact CB-CE3 4.43Å; L115-W156 HydrophobicContact CB-CZ3 4.34Å; L115-W156 HydrophobicContact CD1-CB 4.01Å; L115-W156 HydrophobicContact CD1-CD2 3.8Å; L115-W156 HydrophobicContact CD1-CE3 3.63Å; L115-W156 HydrophobicContact CD1-CG 4Å; L115-W156 HydrophobicContact CD1-CZ3 4.32Å; I152-W156 VanDerWaalsContact O-CB 3.31Å; I152-W156 WeakPolarHBondContact O-CB 3.48Å; I152-W156 PolarHBondContact O-N 3.49Å; F153-W156 AromaticContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CE3 3.78Å; F153-W156 HydrophobicContact CD2-CZ3 4.04Å; F153-W156 AromaticContact CE2-CE3 3.95Å; F153-W156 HydrophobicContact CE2-CE3 3.95Å; F153-W156 AromaticContact CE2-CZ3 3.88Å; F153-W156 HydrophobicContact CE2-CZ3 3.88Å; F153-W156 PolarHBondContact O-N 2.99Å; W156-N158 VanDerWaalsContact C-N 3.29Å; W156-N158 PolarHBondContact O-N 3.14Å; W156-A159 PolarHBondContact O-N 3.02Å; W156-A159 VanDerWaalsContact O-N 3.14Å; W156-L160 HydrophobicContact CD2-CD1 4.48Å; W156-L160 HydrophobicContact CZ2-CD1 4.45Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 3Å
157Q93.4Very high91.4Very high86 Ų8678.6 Ų78.640%0.40236%0.364SS..Hα-helixtrans-62.4-36.4176.5-63.6-66.3-9000112F153 A159 L160F153-Q157 HydrophobicContact CD1-CG 4.21Å; F153-Q157 HydrophobicContact CE1-CG 3.78Å; F153-Q157 HydrophobicContact CE2-CG 4.24Å; F153-Q157 HydrophobicContact CZ-CG 3.79Å; F153-Q157 VanDerWaalsContact O-CG 3.3Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 3.13Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 2.87Å; Q157-L160 PolarHBondContact O-N 3.14Å
158N91.3Very high91.5Very high105 Ų10570.5 Ų70.556%0.56134%0.338SS*.Hα-helixtrans-67.1-28.8175.5-166.7103.1000113.3R154 L155 W156 L160R154-N158 WeakPolarHBondContact O-CB 3.44Å; R154-N158 PolarHBondContact O-N 3.32Å; L155-N158 WeakPolarHBondContact O-CB 3.42Å; L155-N158 PolarHBondContact O-N 3.24Å; W156-N158 VanDerWaalsContact C-N 3.29Å; W156-N158 PolarHBondContact O-N 3.14Å; N158-L160 VanDerWaalsContact C-N 3.32Å
159A88.4Confident91.4Very high4 Ų475.9 Ų75.93%0.03336%0.364CS..Hα-helixtrans-81.2-11.1178.500000113.9L109 K110 L155 W156 Q157L109-A159 HydrophobicContact CB-CB 3.65Å; L109-A159 HydrophobicContact CD1-CB 4.47Å; K110-A159 WeakPolarHBondContact CE-O 3.14Å; K110-A159 HydrophobicContact CG-CB 4.16Å; K110-A159 PolarHBondContact NZ-O 3.31Å; L155-A159 PolarHBondContact O-N 2.96Å; W156-A159 PolarHBondContact O-N 3.02Å; W156-A159 VanDerWaalsContact O-N 3.14Å; Q157-A159 VanDerWaalsContact C-N 3.31Å; Q157-A159 PolarHBondContact O-N 2.87Å
160L86.9Confident91.2Very high97 Ų9780.4 Ų80.451%0.50839%0.386SS..THydrogen-bonded Turntrans-100.7-0.2178.1-65.2176.2000113.7W156 Q157 N158W156-L160 HydrophobicContact CD2-CD1 4.48Å; W156-L160 HydrophobicContact CZ2-CD1 4.45Å; W156-L160 WeakPolarHBondContact O-CG 3.47Å; W156-L160 PolarHBondContact O-N 3Å; Q157-L160 PolarHBondContact O-N 3.14Å; N158-L160 VanDerWaalsContact C-N 3.32Å
161L77.8Confident91Very high196 Ų19677.7 Ų77.7100%1.02637%0.369SS*.  trans-95.20171.8-65.4172.4000111.2

Retrieved 161 of 161 residues in 338.2 ms (Link to these results)