A0A077Z6F4_TRITR Loading...

PHD-type domain-containing protein

Involved in signal transduction through the Wnt pathway.

AlphaFold DB , UniProt , Accession A0A077Z6F4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M40Very low55.5Low235 Ų235152.6 Ų152.6100%1.15884%0.835SS**  0106.50-57.3-87.317800106.5
2P56Low56.3Low133 Ų133147.7 Ų147.786%0.86482%0.819SS**PPolyproline II helixtrans-79138.7-173.8511.6000111.3A4P2-A4 PolarHBondContact O-N 3.44Å
3R42.8Very low56Low251 Ų251142.9 Ų142.995%0.94779%0.792SS**PPolyproline II helixtrans-68.1118.6171.7-97.8167.380.1150.7-0.1109.4
4A51.8Low56.1Low97 Ų97139.4 Ų139.480%0.80278%0.779SS**PPolyproline II helixtrans-75.3128.5163.800000109.2P2P2-A4 PolarHBondContact O-N 3.44Å
5Q56.7Low55.8Low179 Ų179141.7 Ų141.784%0.83678%0.778SS**PPolyproline II helixtrans-66.2144170.7-92.8164.8-53.100109.7D7Q5-D7 PolarHBondContact O-N 3.4Å
6P57.7Low55.8Low119 Ų119138.3 Ų138.377%0.77376%0.758SS**PPolyproline II helixtrans-68.6126.9172.727.7-30.6000109.6T8P6-T8 PolarHBondContact O-N 3.24Å
7D60.9Low55.7Low150 Ų150136.9 Ų136.980%0.80275%0.75SS**PPolyproline II helixtrans-58.5117.1173.7-64-59.3000110.1Q5 V9Q5-D7 PolarHBondContact O-N 3.4Å; D7-V9 PolarHBondContact O-N 3.27Å
8T63.4Low55.6Low132 Ų132131.3 Ų131.381%0.8172%0.721SS**  trans-68.596.5170.2-57.80000108.5P6 V10P6-T8 PolarHBondContact O-N 3.24Å; T8-V10 HydrophobicContact CG2-CG2 4.41Å; T8-V10 PolarHBondContact O-N 2.99Å
9V62.5Low55.5Low109 Ų109127.7 Ų127.766%0.66170%0.704SS**  trans-76.1106.6169.7179.10000107.8D7 L11D7-V9 PolarHBondContact O-N 3.27Å; V9-L11 HydrophobicContact CG1-CD2 4.48Å; V9-L11 HydrophobicContact CG1-CG 4.22Å; V9-L11 PolarHBondContact O-N 3.12Å
10V65.4Low55.5Low117 Ų117127.1 Ų127.171%0.70972%0.717SS**  trans-75.6102.6168.2179.20000107.4T8 S12T8-V10 HydrophobicContact CG2-CG2 4.41Å; T8-V10 PolarHBondContact O-N 2.99Å; V10-S12 PolarHBondContact O-N 3.21Å
11L53.1Low55.5Low157 Ų157121.9 Ų121.982%0.82269%0.691SS**  trans-76.894.8171.6-72.7153.8000108.3V9 N13V9-L11 HydrophobicContact CG1-CD2 4.48Å; V9-L11 HydrophobicContact CG1-CG 4.22Å; V9-L11 PolarHBondContact O-N 3.12Å; L11-N13 PolarHBondContact O-N 3.2Å
12S64.8Low56.4Low93 Ų93110.9 Ų110.965%0.6564%0.638SS**  trans-67.6128164.9-54.80000108.7V10 P14V10-S12 PolarHBondContact O-N 3.21Å; S12-P14 WeakPolarHBondContact O-CD 3.47Å
13N53Low56.5Low86 Ų86109.3 Ų109.346%0.4662%0.622SS.*  trans-80.1115.9-178.2-162.731.3000109L11 F15 D16L11-N13 PolarHBondContact O-N 3.2Å; N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.44Å; N13-D16 PolarHBondContact ND2-OD2 3.37Å; N13-D16 PolarHBondContact O-N 3.23Å; N13-D16 VanDerWaalsContact O-N 3.17Å
14P57Low57.1Low94 Ų9498 Ų9861%0.6158%0.581SS**THydrogen-bonded Turntrans-67.3-3.5-172.528-36.4000114.1S12S12-P14 WeakPolarHBondContact O-CD 3.47Å
15F52.6Low57.1Low174 Ų17495.4 Ų95.476%0.76356%0.564SS**THydrogen-bonded Turntrans-91.6-15.6179.9-55.9-71.1000113.6N13N13-F15 PolarHBondContact O-N 3.49Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.44Å
16D55.7Low56.9Low86 Ų8692.1 Ų92.146%0.4656%0.558SS.*SBendtrans-96.6-5-179.6-77.5-67.1000113.1N13 P18 Y111N13-D16 PolarHBondContact ND2-OD2 3.37Å; N13-D16 PolarHBondContact O-N 3.23Å; N13-D16 VanDerWaalsContact O-N 3.17Å; D16-P18 WeakPolarHBondContact O-CD 3.46Å; D16-Y111 PolarHBondContact OD1-OH 3.07Å
17D53.8Low56.4Low115 Ų11588 Ų8862%0.61553%0.531SS*.  trans-71.2113.8179.9-69.6-52.1000110.4
18P53.7Low55.7Low36 Ų3685.8 Ų85.823%0.23453%0.525CS..  trans-60.3152.6165.827.2-32.5000108.8D16 A20D16-P18 WeakPolarHBondContact O-CD 3.46Å; P18-A20 PolarHBondContact O-N 2.98Å; P18-A20 VanDerWaalsContact O-N 3.08Å
19P53.1Low55.1Low63 Ų6390.9 Ų90.941%0.40953%0.529SS..  trans-49.4123.7-179.720.2-32.5000110G21 M79P19-G21 PolarHBondContact O-N 2.92Å; P19-M79 HydrophobicContact CB-CE 3.65Å; P19-M79 HydrophobicContact CB-SD 3.63Å; P19-M79 HydrophobicContact CG-CE 3.39Å; P19-M79 HydrophobicContact CG-SD 3.44Å; P19-M79 WeakPolarHBondContact CG-SD 3.46Å
20A55.2Low54.2Low116 Ų11693.7 Ų93.796%0.95954%0.537SS*.THydrogen-bonded Turntrans-66.432.1-156.300000117.3P18P18-A20 PolarHBondContact O-N 2.98Å; P18-A20 VanDerWaalsContact O-N 3.08Å
21G56.3Low53.2Low17 Ų1796 Ų9618%0.17555%0.545CS..THydrogen-bonded Turntrans-144.65.9-179.400000116P19P19-G21 PolarHBondContact O-N 2.92Å
22C58Low52.7Low5 Ų593.8 Ų93.83%0.03455%0.549CS..  trans-120.615.3-179.9-69.90000114.1P24 C92 W117C22-P24 WeakPolarHBondContact O-CD 3.24Å; C22-C92 WeakPolarHBondContact CA-SG 3.32Å; C22-C92 HydrophobicContact CB-CB 3.85Å; C22-C92 WeakPolarHBondContact CB-SG 3.17Å; C22-C92 WeakPolarHBondContact SG-CB 3.49Å; C22-C92 CovalentContact SG-SG 2.01Å; C22-C92 PolarHBondContact SG-SG 3.12Å; C22-W117 VanDerWaalsContact CB-NE1 3.34Å; C22-W117 WeakPolarHBondContact O-CZ2 3.3Å
23N58.6Low51.6Low99 Ų9992.2 Ų92.253%0.52955%0.547SS..  trans-85.4106.3-175.3-160.810.1000109.7G25N23-G25 PolarHBondContact O-N 3.17Å; N23-G25 VanDerWaalsContact O-N 3.12Å
24P56.1Low51.5Low14 Ų1494.4 Ų94.49%0.09157%0.567CS.*PPolyproline II helixtrans-63.5119.6167.13.813.3000105.1C22 D103 D105 A107 W117C22-P24 WeakPolarHBondContact O-CD 3.24Å; P24-D103 WeakPolarHBondContact CA-O 3.34Å; P24-D105 WeakPolarHBondContact CB-O 3.19Å; P24-A107 HydrophobicContact CG-CB 3.85Å; P24-W117 HydrophobicContact CG-CE3 3.99Å; P24-W117 HydrophobicContact CG-CH2 4.06Å; P24-W117 HydrophobicContact CG-CZ3 3.54Å
25G50.6Low51.1Low43 Ų4396.3 Ų96.344%0.44358%0.576SS.*PPolyproline II helixtrans-52.5152.9-172.500000111.6N23N23-G25 PolarHBondContact O-N 3.17Å; N23-G25 VanDerWaalsContact O-N 3.12Å
26P53.7Low50.9Low109 Ų10996.7 Ų96.771%0.70858%0.58SS**PPolyproline II helixtrans-54.2144.5173.824.2-32.9000109.4
27P47.3Very low50.5Low32 Ų3298 Ų9821%0.20860%0.596CS.*PPolyproline II helixtrans-54.3141.8-179.523.1-33000109.7R29 W130P27-R29 PolarHBondContact O-N 2.78Å; P27-W130 HydrophobicContact CB-CH2 4.44Å; P27-W130 HydrophobicContact CB-CZ3 4.39Å; P27-W130 HydrophobicContact CG-CH2 4.37Å; P27-W130 HydrophobicContact CG-CZ3 4.31Å
28P46.2Very low50.4Low104 Ų10498.1 Ų98.168%0.67560%0.601SS**PPolyproline II helixtrans-58.1121.3-178.922.6-31.1000108.7M30P28-M30 HydrophobicContact CG-CE 4.44Å; P28-M30 PolarHBondContact O-N 2.74Å
29R49.7Very low50.1Low239 Ų239101.6 Ų101.690%0.90263%0.626SS**  trans-62.3102.6167.8-64.8-176.580.2178.35.8106.4P27 L31P27-R29 PolarHBondContact O-N 2.78Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.3Å
30M44.4Very low50.4Low168 Ų168106.5 Ų106.583%0.82864%0.643SS**  trans-59.896.4175.9-72.9-90.4108.300108.7P28 A32P28-M30 HydrophobicContact CG-CE 4.44Å; P28-M30 PolarHBondContact O-N 2.74Å; M30-A32 PolarHBondContact O-N 3.4Å
31L45.4Very low50.4Low167 Ų167106.8 Ų106.887%0.87464%0.635SS**  trans-75.5110.7162.6-138.578.7000106R29 G33R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.3Å; L31-G33 PolarHBondContact O-N 2.99Å
32A41Very low50Low110 Ų110113.1 Ų113.191%0.90966%0.664SS**  trans-60.7104.8-178.900000110.4M30M30-A32 PolarHBondContact O-N 3.4Å
33G43Very low49.9Very low59 Ų59120.5 Ų120.561%0.60870%0.703SS**  trans-122.3148.1170.400000110.3L31L31-G33 PolarHBondContact O-N 2.99Å
34P49.6Very low49.6Very low133 Ų133121.9 Ų121.986%0.86471%0.71SS**  trans-71.4136.8-168.7-10.626.7000112.3Q36P34-Q36 PolarHBondContact O-N 3.37Å
35V50.1Low49.4Very low133 Ų133125.9 Ų125.981%0.80674%0.744SS**  trans-58.6124.8174.5173.80000110.9
36Q47.1Very low50Low183 Ų183130.3 Ų130.386%0.85576%0.757SS**  trans-115.2109157.6-79.1-176.139.200109.3P34P34-Q36 PolarHBondContact O-N 3.37Å
37S46.9Very low50.5Low112 Ų112130.6 Ų130.678%0.78376%0.758SS**  trans-71.1120.9172.121.60000110
38T51.6Low50.6Low119 Ų119137.4 Ų137.473%0.7379%0.79SS**  trans-131.4107.6162.4-17.50000109
39S48.5Very low51.3Low109 Ų109139.1 Ų139.176%0.76280%0.798SS**  trans-78.2128.1176.4500000110.9
40H59.1Low51.6Low165 Ų165136 Ų13676%0.76480%0.798SS**  trans-132.4138.6158.3-67.9-58.8000110.9
41P55.7Low51.8Low122 Ų122136 Ų13679%0.79280%0.8SS**  trans-80.9150.8-167.131.4-34.1000113.8
42I48.1Very low52.2Low151 Ų151135.4 Ų135.477%0.77480%0.797SS**  trans-54.6134.5166-76.9162.4000110.7
43N55.4Low52.5Low160 Ų160135 Ų13586%0.85679%0.788SS**  trans-131.2110.1158.7-159.825.4000110.2
44N53.3Low52.8Low127 Ų127136.8 Ų136.868%0.67980%0.797SS**  trans-77.2135.1172.7-85.17.3000109.8
45A50.7Low52.6Low98 Ų98135.3 Ų135.381%0.8179%0.787SS**  trans-128.8102.2158.300000108.5
46I62.7Low52.4Low137 Ų137137 Ų13770%0.70379%0.786SS**  trans-94.8124.7168.5-58.8177000106.5
47P64.6Low52Low114 Ų114134 Ų13474%0.7479%0.785SS**  trans-85.4115.5165.431.5-25.1000109
48M49.2Very low52.3Low176 Ų176132.8 Ų132.887%0.86778%0.782SS**  trans-74.9128.7163.6-69.1-85.9-79.400108.1
49V60.8Low52.7Low139 Ų139132.8 Ų132.884%0.84278%0.784SS**  trans-118.5142.9164.4-71.80000110.3
50L57.2Low53.1Low175 Ų175132.6 Ų132.692%0.91678%0.78SS**  trans-71.4144.2-158.7-70.1148.2000113.3
51I48.7Very low52.9Low168 Ų168130 Ų13086%0.86278%0.778SS**  trans-80.5116.8173.9-52.9154.3000106.5
52D53.1Low52.8Low153 Ų153134.2 Ų134.282%0.81878%0.784SS**  trans-123.9137162-171.349.8000109.9
53S46.4Very low52.5Low103 Ų103133 Ų13372%0.7278%0.784SS**  trans-108120.7-159.935.80000110.7
54A50Low52Low95 Ų95129.2 Ų129.279%0.78577%0.77SS**  trans-154.9147.5156.900000111.5
55P44.3Very low51.8Low103 Ų103131.3 Ų131.367%0.66978%0.78SS**  trans-95.1170.5-16422.6-4.2000111.6
56H46.9Very low51.4Low169 Ų169130.1 Ų130.178%0.78277%0.766SS**  trans102115166.6-52.378.5000116.4
57S38.3Very low50.7Low118 Ų118128.8 Ų128.883%0.82577%0.769SS**  trans63.289.314354.50000118.8
58A53.8Low49.8Very low87 Ų87131.9 Ų131.972%0.71978%0.778SS**  153.5131.3128.900000108.8
59P59.7Low49.9Very low119 Ų119126.8 Ų126.877%0.77376%0.76SS**PPolyproline II helixtrans-61.5133.9171.326.6-30.7000108.3
60P57.1Low50Low106 Ų106122.8 Ų122.869%0.68874%0.742SS**PPolyproline II helixtrans-59.6145.2175.525.9-32.3000108.7F62P60-F62 PolarHBondContact O-N 2.85Å
61P55Low50.8Low109 Ų109123.5 Ų123.571%0.70873%0.732SS**PPolyproline II helixtrans-57132.2170.826.7-32.5000106.9T63P61-T63 PolarHBondContact O-N 2.89Å; P61-T63 PolarHBondContact O-OG1 3.06Å
62F52.9Low52.4Low211 Ų211120.5 Ų120.593%0.92572%0.722SS**  trans-50.795.4169.9-71.2-90.5000107.7P60 S64P60-F62 PolarHBondContact O-N 2.85Å; F62-S64 PolarHBondContact O-N 2.92Å
63T42.7Very low53.8Low125 Ų125114.5 Ų114.577%0.76769%0.688SS**  trans-75.593.4173.213.50000103.5P61 L65P61-T63 PolarHBondContact O-N 2.89Å; P61-T63 PolarHBondContact O-OG1 3.06Å; T63-L65 PolarHBondContact O-N 3.26Å
64S45.2Very low55.4Low81 Ų81113.4 Ų113.457%0.56668%0.678SS**  trans-38.6101.5175.4-176.40000109.7F62 S66F62-S64 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact O-N 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.26Å; S64-S66 PolarHBondContact OG-OG 3.3Å
65L47.7Very low56.7Low171 Ų171111.7 Ų111.790%0.89566%0.66SS**  trans-69.511.7166.8-138.390000111T63 S67T63-L65 PolarHBondContact O-N 3.26Å; L65-S67 PolarHBondContact O-N 2.97Å
66S43Very low58.3Low73 Ų73113.8 Ų113.851%0.5167%0.666SS.*THydrogen-bonded Turntrans-81.344-176.3-33.90000112.1S64 S69S64-S66 PolarHBondContact O-N 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.36Å; S64-S66 PolarHBondContact OG-N 3.26Å; S64-S66 PolarHBondContact OG-OG 3.3Å; S66-S69 WeakPolarHBondContact CA-OG 3.12Å; S66-S69 PolarHBondContact O-OG 3.18Å
67S47.6Very low59.6Low110 Ų110111 Ų11177%0.76965%0.653SS**THydrogen-bonded Turntrans-136.34.8177.3-69.90000115.6L65L65-S67 PolarHBondContact O-N 2.97Å
68L45.9Very low61.5Low178 Ų178107.4 Ų107.493%0.93263%0.627SS**SBendtrans-94.8-2.1148-71.6167.7000111.6A70L68-A70 PolarHBondContact O-N 3.07Å
69S52.1Low62.7Low70 Ų70105.3 Ų105.349%0.4960%0.603SS.*SBendtrans-67.4114.4177.549.80000109.4S66 R71S66-S69 WeakPolarHBondContact CA-OG 3.12Å; S66-S69 PolarHBondContact O-OG 3.18Å; S69-R71 PolarHBondContact O-N 2.63Å
70A62.9Low63.6Low55 Ų55101 Ų10146%0.45557%0.573SS.*  trans-34126.3172.600000111.6L68 V72 R99L68-A70 PolarHBondContact O-N 3.07Å; A70-V72 PolarHBondContact O-N 3.08Å; A70-R99 HydrophobicContact CB-CG 3.87Å
71R74.7Confident64.6Low189 Ų189103.1 Ų103.171%0.71357%0.572SS**PPolyproline II helixtrans-55.5126.6176.2-70.2-178.3-172.21471.7108.6S69 Y73S69-R71 PolarHBondContact O-N 2.63Å; R71-Y73 HydrophobicContact CB-CE1 4.48Å; R71-Y73 HydrophobicContact CB-CE2 4.11Å
72V82.2Confident65.3Low106 Ų106100 Ų10064%0.64255%0.551SS**BIsolated β-bridgetrans-99.9121.3173.9-176.30000106.8A70 H98A70-V72 PolarHBondContact O-N 3.08Å; V72-H98 WeakPolarHBondContact CA-O 3.21Å; V72-H98 HydrophobicContact CG1-CB 3.6Å
73Y81.9Confident66.4Low27 Ų2796 Ų9611%0.10655%0.549CS..PPolyproline II helixtrans-95.4155.9-175.6-66.4-75.7000111.4R71 I80 I91 P93 H98 E100R71-Y73 HydrophobicContact CB-CE1 4.48Å; R71-Y73 HydrophobicContact CB-CE2 4.11Å; Y73-I80 HydrophobicContact CD1-CD1 3.45Å; Y73-I80 VanDerWaalsContact CD1-CD1 3.45Å; Y73-I80 HydrophobicContact CE1-CD1 4.41Å; Y73-I80 HydrophobicContact CG-CD1 3.7Å; Y73-I91 HydrophobicContact CD1-CG2 4.41Å; Y73-I91 HydrophobicContact CD2-CG2 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 4.15Å; Y73-I91 HydrophobicContact CE1-CG2 3.91Å; Y73-I91 HydrophobicContact CE2-CG2 3.64Å; Y73-I91 VanDerWaalsContact CZ-CG2 3.49Å; Y73-P93 HydrophobicContact CD2-CB 4.04Å; Y73-P93 HydrophobicContact CG-CB 4.14Å; Y73-H98 WeakPolarHBondContact CD2-O 3.37Å; Y73-H98 PolarHBondContact N-O 3.14Å; Y73-H98 WeakPolarHBondContact O-CB 3.44Å; Y73-E100 HydrophobicContact CE2-CB 3.94Å; Y73-E100 PolarHBondContact OH-OE2 2.72Å
74P79.5Confident68.2Low79 Ų7995.1 Ų95.151%0.51355%0.548SS..PPolyproline II helixtrans-62.9146.2176.726-34.5000112.1D76 I80P74-D76 VanDerWaalsContact C-N 3.3Å; P74-D76 PolarHBondContact O-N 2.61Å; P74-I80 HydrophobicContact CG-CD1 4.33Å
75S77.6Confident69.5Low60 Ų6094.9 Ų94.942%0.4254%0.54SS..THydrogen-bonded Turntrans-76.6-10-171.2-48.20000114.9H98 F116S75-H98 WeakPolarHBondContact CB-CE1 3.41Å; S75-H98 PolarHBondContact OG-CE1 2.92Å; S75-H98 PolarHBondContact OG-NE2 3.49Å; S75-F116 WeakPolarHBondContact O-CZ 3.44Å
76D77.4Confident70.9Confident146 Ų14691.9 Ų91.978%0.78153%0.531SS*.THydrogen-bonded Turntrans-91.7-11.5-166.4-59-40.3000114.1P74P74-D76 VanDerWaalsContact C-N 3.3Å; P74-D76 PolarHBondContact O-N 2.61Å
77Q75Confident72.6Confident111 Ų11196.7 Ų96.752%0.51955%0.545SS..  trans-122.6122.6-176.9-64.2-175.312.800111.2M79 I80 P93 F116Q77-M79 PolarHBondContact O-N 3.47Å; Q77-I80 HydrophobicContact CB-CG1 4.45Å; Q77-P93 WeakPolarHBondContact O-CG 3.34Å; Q77-F116 WeakPolarHBondContact O-CE1 3.22Å
78P77.8Confident73.8Confident43 Ų4393 Ų9328%0.27952%0.521SS..SBendtrans-72.3-14.4179.229.4-34.9000113.4F116P78-F116 VanDerWaalsContact CA-CE1 3.44Å; P78-F116 HydrophobicContact CB-CD1 4.06Å; P78-F116 HydrophobicContact CB-CD2 4.12Å; P78-F116 HydrophobicContact CB-CE1 4.07Å; P78-F116 HydrophobicContact CB-CE2 4.14Å; P78-F116 HydrophobicContact CB-CG 4.09Å; P78-F116 HydrophobicContact CB-CZ 4.11Å
79M79.7Confident75.3Confident43 Ų4388.7 Ų88.721%0.21250%0.504CS..  trans-145.8140.8177-68.5179-73.500109.8P19 Q77 F81 P90 I91P19-M79 HydrophobicContact CB-CE 3.65Å; P19-M79 HydrophobicContact CB-SD 3.63Å; P19-M79 HydrophobicContact CG-CE 3.39Å; P19-M79 HydrophobicContact CG-SD 3.44Å; P19-M79 WeakPolarHBondContact CG-SD 3.46Å; Q77-M79 PolarHBondContact O-N 3.47Å; M79-F81 HydrophobicContact CB-CE2 4.36Å; M79-P90 HydrophobicContact CB-CB 4.15Å; M79-P90 HydrophobicContact CG-CB 4.44Å; M79-P90 HydrophobicContact SD-CB 4.41Å; M79-I91 CarbonylContact C-O 3.57Å; M79-I91 VanDerWaalsContact CA-O 3.31Å; M79-I91 WeakPolarHBondContact CA-O 3.36Å
80I78.8Confident76.8Confident28 Ų2886.4 Ų86.414%0.14449%0.487CS..BIsolated β-bridgetrans-124.6120.4-178.4-62.6170000108.5Y73 P74 Q77 I91 P93Y73-I80 HydrophobicContact CD1-CD1 3.45Å; Y73-I80 VanDerWaalsContact CD1-CD1 3.45Å; Y73-I80 HydrophobicContact CE1-CD1 4.41Å; Y73-I80 HydrophobicContact CG-CD1 3.7Å; P74-I80 HydrophobicContact CG-CD1 4.33Å; Q77-I80 HydrophobicContact CB-CG1 4.45Å; I80-I91 HydrophobicContact CB-CB 4.2Å; I80-I91 PolarHBondContact N-O 3.49Å; I80-I91 WeakPolarHBondContact O-CB 3.07Å; I80-I91 PolarHBondContact O-N 3.34Å; I80-P93 HydrophobicContact CD1-CG 4.08Å; I80-P93 HydrophobicContact CG1-CG 4.49Å
81F77.1Confident77.9Confident150 Ų15084.7 Ų84.766%0.65847%0.47SS*.  trans-94.8123.7176.9-63-96000109.2M79 P90M79-F81 HydrophobicContact CB-CE2 4.36Å; F81-P90 HydrophobicContact CD1-CB 4.11Å; F81-P90 HydrophobicContact CD1-CG 4.08Å; F81-P90 HydrophobicContact CE1-CB 3.85Å; F81-P90 HydrophobicContact CE1-CG 3.47Å; F81-P90 VanDerWaalsContact CE1-CG 3.47Å; F81-P90 HydrophobicContact CE2-CB 4.46Å; F81-P90 HydrophobicContact CZ-CB 4.01Å; F81-P90 HydrophobicContact CZ-CG 3.83Å
82T69.2Low78.6Confident45 Ų4576 Ų7628%0.27644%0.439SS..  trans-82.6122.7176.564.60000110.5S84 N85 I91T82-S84 PolarHBondContact O-N 3.17Å; T82-N85 CarbonylContact O-C 3.47Å; T82-N85 PolarHBondContact O-N 2.94Å; T82-I91 HydrophobicContact CG2-CD1 3.41Å; T82-I91 VanDerWaalsContact CG2-CD1 3.41Å; T82-I91 HydrophobicContact CG2-CG1 4.36Å
83S76.8Confident79.1Confident125 Ų12571 Ų7187%0.87441%0.408SS*.THydrogen-bonded Turntrans-64.1-22174.455.90000113.2N85S83-N85 VanDerWaalsContact C-N 3.3Å; S83-N85 PolarHBondContact O-N 3.31Å
84S79.2Confident79.7Confident108 Ų10869.7 Ų69.776%0.75540%0.403SS*.THydrogen-bonded Turntrans-68.7-24.6178.649.60000114.1T82T82-S84 PolarHBondContact O-N 3.17Å
85N74Confident80.4Confident75 Ų7567 Ų6740%0.40139%0.39SS..  trans-146.893175.5-176.23.8000109.4T82 S83 H87 A88T82-N85 CarbonylContact O-C 3.47Å; T82-N85 PolarHBondContact O-N 2.94Å; S83-N85 VanDerWaalsContact C-N 3.3Å; S83-N85 PolarHBondContact O-N 3.31Å; N85-H87 PolarHBondContact O-N 3.36Å; N85-H87 VanDerWaalsContact O-N 3.16Å; N85-H87 PolarHBondContact OD1-N 2.96Å; N85-H87 VanDerWaalsContact OD1-N 3.16Å; N85-A88 HydrophobicContact CB-CB 3.94Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.36Å; N85-A88 PolarHBondContact OD1-N 3.01Å
86P77Confident81.2Confident109 Ų10970.8 Ų70.871%0.70840%0.399SS*.THydrogen-bonded Turntrans-67.1-13.7-178.927.9-34.9000113.3
87H79.1Confident82.1Confident173 Ų17365.1 Ų65.180%0.80137%0.37SS*.THydrogen-bonded Turntrans-93.7-8.3175.3-63.7-72.2000113.2N85N85-H87 PolarHBondContact O-N 3.36Å; N85-H87 VanDerWaalsContact O-N 3.16Å; N85-H87 PolarHBondContact OD1-N 2.96Å; N85-H87 VanDerWaalsContact OD1-N 3.16Å
88A73Confident82.9Confident33 Ų3361.8 Ų61.827%0.27336%0.355SS..SBendtrans-66.7139.8172.900000109.3N85N85-A88 HydrophobicContact CB-CB 3.94Å; N85-A88 WeakPolarHBondContact O-CB 3.34Å; N85-A88 PolarHBondContact O-N 3.36Å; N85-A88 PolarHBondContact OD1-N 3.01Å
89P77.3Confident83.6Confident88 Ų8864.8 Ų64.857%0.57136%0.361SS*.PPolyproline II helixtrans-51.5148.3166.3-24.934.1000110.9
90P83.7Confident84.2Confident21 Ų2165.6 Ų65.614%0.13636%0.364CS..PPolyproline II helixtrans-58.4141175.1-12.126.3000110M79 F81 C92M79-P90 HydrophobicContact CB-CB 4.15Å; M79-P90 HydrophobicContact CG-CB 4.44Å; M79-P90 HydrophobicContact SD-CB 4.41Å; F81-P90 HydrophobicContact CD1-CB 4.11Å; F81-P90 HydrophobicContact CD1-CG 4.08Å; F81-P90 HydrophobicContact CE1-CB 3.85Å; F81-P90 HydrophobicContact CE1-CG 3.47Å; F81-P90 VanDerWaalsContact CE1-CG 3.47Å; F81-P90 HydrophobicContact CE2-CB 4.46Å; F81-P90 HydrophobicContact CZ-CB 4.01Å; F81-P90 HydrophobicContact CZ-CG 3.83Å; P90-C92 PolarHBondContact O-SG 3.28Å
91I85Confident84.9Confident19 Ų1964.8 Ų64.810%0.09736%0.36CS..BIsolated β-bridgetrans-76.9130.7173.1-66.4169.7000108.4Y73 M79 I80 T82 P93 E100Y73-I91 HydrophobicContact CD1-CG2 4.41Å; Y73-I91 HydrophobicContact CD2-CG2 4.18Å; Y73-I91 HydrophobicContact CE1-CD1 4.15Å; Y73-I91 HydrophobicContact CE1-CG2 3.91Å; Y73-I91 HydrophobicContact CE2-CG2 3.64Å; Y73-I91 VanDerWaalsContact CZ-CG2 3.49Å; M79-I91 CarbonylContact C-O 3.57Å; M79-I91 VanDerWaalsContact CA-O 3.31Å; M79-I91 WeakPolarHBondContact CA-O 3.36Å; I80-I91 HydrophobicContact CB-CB 4.2Å; I80-I91 PolarHBondContact N-O 3.49Å; I80-I91 WeakPolarHBondContact O-CB 3.07Å; I80-I91 PolarHBondContact O-N 3.34Å; T82-I91 HydrophobicContact CG2-CD1 3.41Å; T82-I91 VanDerWaalsContact CG2-CD1 3.41Å; T82-I91 HydrophobicContact CG2-CG1 4.36Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; I91-E100 HydrophobicContact CG2-CG 3.97Å
92C89.6Confident85.5Confident8 Ų862.4 Ų62.45%0.05435%0.35CS..EExtended strand (participates in β ladder)trans-111.292.6-174.8-35.50000109C22 P90 I101C22-C92 WeakPolarHBondContact CA-SG 3.32Å; C22-C92 HydrophobicContact CB-CB 3.85Å; C22-C92 WeakPolarHBondContact CB-SG 3.17Å; C22-C92 WeakPolarHBondContact SG-CB 3.49Å; C22-C92 CovalentContact SG-SG 2.01Å; C22-C92 PolarHBondContact SG-SG 3.12Å; P90-C92 PolarHBondContact O-SG 3.28Å; C92-I101 WeakPolarHBondContact O-CB 3.42Å; C92-I101 PolarHBondContact O-N 3.1Å
93P92.7Very high86.4Confident0 Ų065.4 Ų65.40%037%0.365CS..EExtended strand (participates in β ladder)trans-73.1136.4-178.730.2-36.1000111.5Y73 Q77 I80 I91 G95Y73-P93 HydrophobicContact CD2-CB 4.04Å; Y73-P93 HydrophobicContact CG-CB 4.14Å; Q77-P93 WeakPolarHBondContact O-CG 3.34Å; I80-P93 HydrophobicContact CD1-CG 4.08Å; I80-P93 HydrophobicContact CG1-CG 4.49Å; I91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-G95 PolarHBondContact O-N 2.71Å
94C95.2Very high87Confident0 Ų067 Ų670%036%0.364CS..  trans-60.9125.6174.1176.70000110.7K96 C97 H98 R99 I101 W117 H119C94-K96 PolarHBondContact O-N 3.14Å; C94-C97 WeakPolarHBondContact CB-SG 2.98Å; C94-H98 WeakPolarHBondContact O-CA 3.46Å; C94-H98 PolarHBondContact O-N 2.98Å; C94-H98 PolarHBondContact O-ND1 3.09Å; C94-R99 WeakPolarHBondContact CB-O 3.26Å; C94-R99 PolarHBondContact N-O 2.86Å; C94-I101 HydrophobicContact CB-CD1 3.83Å; C94-I101 HydrophobicContact CB-CG1 3.97Å; C94-W117 CarbonylContact C-O 3.55Å; C94-W117 VanDerWaalsContact CA-O 3.31Å; C94-W117 WeakPolarHBondContact CA-O 3.44Å; C94-H119 WeakPolarHBondContact CB-ND1 3.4Å
95G94.4Very high87.7Confident23 Ų2364.2 Ų64.224%0.23734%0.34CS..THydrogen-bonded Turntrans-65.3-5-17900000115.3P93 W117 F118P93-G95 PolarHBondContact O-N 2.71Å; G95-W117 PolarHBondContact N-O 3.39Å; G95-F118 VanDerWaalsContact C-CE1 3.45Å
96K94.4Very high88.7Confident138 Ų13863.5 Ų63.560%0.633%0.334SS*.THydrogen-bonded Turntrans-111.2-51.3178.4-171.887.9176.2-159.50113.2C94 F118 C122C94-K96 PolarHBondContact O-N 3.14Å; K96-F118 HydrophobicContact CB-CD1 4.09Å; K96-F118 HydrophobicContact CB-CE1 4.36Å; K96-C122 HydrophobicContact CB-CB 3.95Å; K96-C122 HydrophobicContact CG-CB 4.15Å
97C95Very high89.6Confident27 Ų2758.4 Ų58.418%0.18230%0.301CS..THydrogen-bonded Turntrans-101.5-7.6-175.775.80000113.4C94 R99 H119 C122C94-C97 WeakPolarHBondContact CB-SG 2.98Å; C97-R99 PolarHBondContact O-N 3.17Å; C97-R99 VanDerWaalsContact SG-CZ 3.59Å; C97-H119 PolarHBondContact SG-ND1 2.89Å; C97-C122 VanDerWaalsContact SG-SG 3.67Å
98H93.1Very high90.4Very high42 Ų4250.5 Ų50.519%0.19427%0.265CS..  trans59.114177.9-59.1-55000115.4V72 Y73 S75 C94V72-H98 WeakPolarHBondContact CA-O 3.21Å; V72-H98 HydrophobicContact CG1-CB 3.6Å; Y73-H98 WeakPolarHBondContact CD2-O 3.37Å; Y73-H98 PolarHBondContact N-O 3.14Å; Y73-H98 WeakPolarHBondContact O-CB 3.44Å; S75-H98 WeakPolarHBondContact CB-CE1 3.41Å; S75-H98 PolarHBondContact OG-CE1 2.92Å; S75-H98 PolarHBondContact OG-NE2 3.49Å; C94-H98 WeakPolarHBondContact O-CA 3.46Å; C94-H98 PolarHBondContact O-N 2.98Å; C94-H98 PolarHBondContact O-ND1 3.09Å
99R92Very high91.5Very high106 Ų10650.1 Ų50.140%0.426%0.258SS..BIsolated β-bridgetrans-85.4158.4169.7-63.4-172-63-88.62.7110.8A70 C94 C97A70-R99 HydrophobicContact CB-CG 3.87Å; C94-R99 WeakPolarHBondContact CB-O 3.26Å; C94-R99 PolarHBondContact N-O 2.86Å; C97-R99 PolarHBondContact O-N 3.17Å; C97-R99 VanDerWaalsContact SG-CZ 3.59Å
100E91.8Very high92.3Very high59 Ų5945.9 Ų45.928%0.27623%0.23SC..EExtended strand (participates in β ladder)trans-55.3138.5172.4-159.5156.4144.800111.3Y73 I91 H102 H119Y73-E100 HydrophobicContact CE2-CB 3.94Å; Y73-E100 PolarHBondContact OH-OE2 2.72Å; I91-E100 HydrophobicContact CG2-CG 3.97Å; E100-H102 IonicContact OE1-CE1 2.74Å; E100-H102 PolarHBondContact OE1-CE1 2.87Å; E100-H102 IonicContact OE1-ND1 3.57Å; E100-H119 PolarHBondContact O-CE1 3.41Å; E100-H119 VanDerWaalsContact O-CE1 3.31Å; E100-H119 PolarHBondContact O-NE2 2.93Å
101I93.1Very high92.6Very high11 Ų1147.6 Ų47.66%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-99.5121.7164.8-66.5171.1000106.6C92 C94 D105 A107 W117C92-I101 WeakPolarHBondContact O-CB 3.42Å; C92-I101 PolarHBondContact O-N 3.1Å; C94-I101 HydrophobicContact CB-CD1 3.83Å; C94-I101 HydrophobicContact CB-CG1 3.97Å; I101-D105 WeakPolarHBondContact CA-OD2 3.17Å; I101-D105 HydrophobicContact CG2-CB 4.06Å; I101-A107 HydrophobicContact CD1-CB 4.22Å; I101-A107 HydrophobicContact CG2-CB 3.51Å; I101-W117 VanDerWaalsContact CD1-C 3.45Å; I101-W117 HydrophobicContact CD1-CB 3.38Å
102H90.3Very high92.7Very high100 Ų10051.9 Ų51.946%0.46325%0.249SC..PPolyproline II helixtrans-93162.1176.7-61.9-64.9000111.3E100 N104 D105E100-H102 IonicContact OE1-CE1 2.74Å; E100-H102 PolarHBondContact OE1-CE1 2.87Å; E100-H102 IonicContact OE1-ND1 3.57Å; H102-N104 PolarHBondContact O-N 3Å; H102-N104 VanDerWaalsContact O-N 3.1Å; H102-D105 IonicContact CD2-OD2 3.5Å; H102-D105 PolarHBondContact N-OD2 2.83Å; H102-D105 VanDerWaalsContact O-CB 3.3Å; H102-D105 WeakPolarHBondContact O-CB 3.15Å; H102-D105 PolarHBondContact O-N 2.86Å
103D86.9Confident92.7Very high108 Ų10851.9 Ų51.958%0.57825%0.251SS*.THydrogen-bonded Turntrans-58.4-27.4-179.1-62.6-16.6000114P24P24-D103 WeakPolarHBondContact CA-O 3.34Å
104N90.1Very high92.7Very high160 Ų16054 Ų5486%0.85627%0.265SS*.THydrogen-bonded Turntrans-89.3-4.1178.2-64.6-46.1000113.3H102H102-N104 PolarHBondContact O-N 3Å; H102-N104 VanDerWaalsContact O-N 3.1Å
105D93.6Very high92.6Very high48 Ų4858.6 Ų58.626%0.25729%0.285SS..SBendtrans-76.4137.4178.9-73-19.6000110.4P24 I101 H102 A107 H119P24-D105 WeakPolarHBondContact CB-O 3.19Å; I101-D105 WeakPolarHBondContact CA-OD2 3.17Å; I101-D105 HydrophobicContact CG2-CB 4.06Å; H102-D105 IonicContact CD2-OD2 3.5Å; H102-D105 PolarHBondContact N-OD2 2.83Å; H102-D105 VanDerWaalsContact O-CB 3.3Å; H102-D105 WeakPolarHBondContact O-CB 3.15Å; H102-D105 PolarHBondContact O-N 2.86Å; D105-A107 PolarHBondContact O-N 3.22Å; D105-H119 IonicContact OD2-CD2 3.36Å; D105-H119 IonicContact OD2-NE2 3.54Å; D105-H119 PolarHBondContact OD2-NE2 3.07Å
106Q96Very high92.5Very high60 Ų6058.9 Ų58.928%0.2828%0.28SS..  trans-68.6102165.4-68.7178.2-25.900108.5R120 E127 W130Q106-R120 HydrophobicContact CB-CB 3.96Å; Q106-R120 WeakPolarHBondContact O-CB 3.46Å; Q106-R120 PolarHBondContact O-N 3.32Å; Q106-E127 PolarHBondContact NE2-OE1 3Å; Q106-W130 HydrophobicContact CB-CZ2 4.31Å; Q106-W130 HydrophobicContact CG-CH2 4.21Å; Q106-W130 HydrophobicContact CG-CZ2 4.42Å; Q106-W130 HydrophobicContact CG-CZ3 4.24Å
107A96.1Very high92.6Very high2 Ų253.2 Ų53.22%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-130.2162.3-178.900000112.4P24 I101 D105 W117 F118 W130P24-A107 HydrophobicContact CG-CB 3.85Å; I101-A107 HydrophobicContact CD1-CB 4.22Å; I101-A107 HydrophobicContact CG2-CB 3.51Å; D105-A107 PolarHBondContact O-N 3.22Å; A107-W117 HydrophobicContact CB-CE3 3.95Å; A107-W117 HydrophobicContact CB-CZ3 4.46Å; A107-F118 CarbonylContact C-O 3.51Å; A107-F118 WeakPolarHBondContact CA-O 3.37Å; A107-F118 WeakPolarHBondContact CB-O 2.91Å; A107-W130 PolarHBondContact O-NE1 2.01Å
108I96.3Very high92.6Very high7 Ų752.5 Ų52.54%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-141.9141.4-179.2-165.6162.2000109.9W117 F118 V123 L125 I133 W141I108-W117 CarbonylContact O-C 3.48Å; I108-F118 HydrophobicContact CG2-CB 4.34Å; I108-F118 PolarHBondContact N-O 3.46Å; I108-F118 PolarHBondContact O-N 3.1Å; I108-V123 HydrophobicContact CG2-CG2 4.22Å; I108-L125 HydrophobicContact CD1-CD2 3.84Å; I108-I133 HydrophobicContact CD1-CB 4.41Å; I108-I133 HydrophobicContact CD1-CD1 4.24Å; I108-I133 HydrophobicContact CD1-CG2 3.96Å; I108-W141 HydrophobicContact CB-CE3 4.44Å; I108-W141 HydrophobicContact CD1-CB 3.37Å; I108-W141 HydrophobicContact CD1-CD2 3.93Å; I108-W141 HydrophobicContact CD1-CE3 4.4Å; I108-W141 HydrophobicContact CD1-CG 3.46Å; I108-W141 VanDerWaalsContact CD1-CG 3.46Å; I108-W141 HydrophobicContact CG1-CB 3.8Å; I108-W141 HydrophobicContact CG1-CD2 4.04Å; I108-W141 HydrophobicContact CG1-CE3 3.99Å; I108-W141 HydrophobicContact CG1-CG 3.98Å; I108-W141 HydrophobicContact CG2-CD2 3.99Å; I108-W141 HydrophobicContact CG2-CE3 3.79Å; I108-W141 HydrophobicContact CG2-CH2 4.27Å; I108-W141 HydrophobicContact CG2-CZ2 4.47Å; I108-W141 HydrophobicContact CG2-CZ3 3.94Å
109Q95.1Very high92.8Very high25 Ų2551.5 Ų51.512%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-99.9138.4-179.6-165.8-175.643.900111.2Y111 K115 W117Q109-Y111 PolarHBondContact O-N 2.97Å; Q109-Y111 VanDerWaalsContact O-N 3.09Å; Q109-K115 PolarHBondContact NE2-O 3.01Å; Q109-K115 VanDerWaalsContact NE2-O 3.14Å; Q109-W117 HydrophobicContact CB-CD2 3.89Å; Q109-W117 HydrophobicContact CB-CE3 4.02Å; Q109-W117 HydrophobicContact CB-CG 4.47Å; Q109-W117 HydrophobicContact CB-CH2 4.15Å; Q109-W117 HydrophobicContact CB-CZ2 4.02Å; Q109-W117 HydrophobicContact CB-CZ3 4.15Å; Q109-W117 HydrophobicContact CG-CD2 4.27Å; Q109-W117 HydrophobicContact CG-CG 4.44Å; Q109-W117 HydrophobicContact CG-CZ2 4.49Å
110C94.6Very high93.1Very high0 Ų048.6 Ų48.60%023%0.233CC..  trans-76.191.4170.6-178.50000110.6G113 K115 F116 F118 W141 C143C110-G113 VanDerWaalsContact SG-CA 3.52Å; C110-K115 WeakPolarHBondContact O-CA 3.12Å; C110-K115 PolarHBondContact O-N 3.3Å; C110-K115 VanDerWaalsContact O-N 3.14Å; C110-F116 PolarHBondContact N-O 3.31Å; C110-F118 HydrophobicContact CB-CE2 3.91Å; C110-W141 WeakPolarHBondContact CA-O 3.37Å; C110-W141 HydrophobicContact CB-CE3 4.28Å; C110-W141 HydrophobicContact CB-CZ3 3.9Å; C110-C143 HydrophobicContact CB-CB 4.25Å; C110-C143 PolarHBondContact SG-N 3.01Å
111Y90.5Very high93.4Very high57 Ų5750.4 Ų50.422%0.22425%0.248CC..THydrogen-bonded Turntrans-68.9-48.2-167.5-158.9-103.3000112.7D16 Q109 G113 K115 E140 W141D16-Y111 PolarHBondContact OD1-OH 3.07Å; Q109-Y111 PolarHBondContact O-N 2.97Å; Q109-Y111 VanDerWaalsContact O-N 3.09Å; Y111-G113 PolarHBondContact O-N 3.37Å; Y111-K115 VanDerWaalsContact O-CD 3.26Å; Y111-K115 WeakPolarHBondContact O-CD 3.35Å; Y111-K115 WeakPolarHBondContact O-CE 3.31Å; Y111-K115 PolarHBondContact O-NZ 3.16Å; Y111-E140 HydrophobicContact CD1-CG 3.98Å; Y111-E140 WeakPolarHBondContact CD1-OE2 3.29Å; Y111-E140 HydrophobicContact CG-CG 4.33Å; Y111-W141 PolarHBondContact N-O 3.25Å
112R85.3Confident93.6Very high108 Ų10851.2 Ų51.241%0.40826%0.255SS..THydrogen-bonded Turntrans-87.8-3-179.2-59.7-161.3173.3-101.7-13.9115.2E140 V142 I152R112-E140 WeakPolarHBondContact CD-OE2 3.15Å; R112-E140 WeakPolarHBondContact CG-OE2 3.39Å; R112-E140 IonicContact CZ-OE1 2.63Å; R112-E140 IonicContact CZ-OE2 2.93Å; R112-E140 IonicContact NE-OE1 3.3Å; R112-E140 IonicContact NE-OE2 3.94Å; R112-E140 PolarHBondContact NE-OE2 3.34Å; R112-E140 IonicContact NH2-OE1 3.33Å; R112-E140 PolarHBondContact NH2-OE1 2.97Å; R112-E140 IonicContact NH2-OE2 3.64Å; R112-E140 PolarHBondContact NH2-OE2 3.13Å; R112-V142 HydrophobicContact CB-CG2 4.13Å; R112-I152 HydrophobicContact CB-CD1 4.02Å; R112-I152 HydrophobicContact CB-CG1 4.49Å; R112-I152 HydrophobicContact CB-CG2 4.16Å
113G90.6Very high93.9Very high9 Ų948.4 Ų48.49%0.09324%0.244CC..THydrogen-bonded Turntrans-109.3-109.9-16700000113.8C110 Y111 C146 K150C110-G113 VanDerWaalsContact SG-CA 3.52Å; Y111-G113 PolarHBondContact O-N 3.37Å; G113-C146 WeakPolarHBondContact CA-SG 3.33Å; G113-K150 PolarHBondContact O-NZ 2.95Å
114C92.7Very high94.4Very high44 Ų4446.4 Ų46.430%0.29725%0.249SC..THydrogen-bonded Turntrans-94.5-4.4-172.860.40000113.5F116 C146C114-F116 HydrophobicContact CB-CD2 3.82Å; C114-F116 HydrophobicContact CB-CE2 4.46Å; C114-F116 WeakPolarHBondContact O-CD2 3.34Å; C114-F116 PolarHBondContact O-N 3.04Å; C114-C146 PolarHBondContact N-SG 2.95Å
115K91.9Very high94.7Very high97 Ų9740.1 Ų40.142%0.42222%0.216SC..  trans61.77.1-179.5-53-63.1-168.5166.80115.7Q109 C110 Y111Q109-K115 PolarHBondContact NE2-O 3.01Å; Q109-K115 VanDerWaalsContact NE2-O 3.14Å; C110-K115 WeakPolarHBondContact O-CA 3.12Å; C110-K115 PolarHBondContact O-N 3.3Å; C110-K115 VanDerWaalsContact O-N 3.14Å; Y111-K115 VanDerWaalsContact O-CD 3.26Å; Y111-K115 WeakPolarHBondContact O-CD 3.35Å; Y111-K115 WeakPolarHBondContact O-CE 3.31Å; Y111-K115 PolarHBondContact O-NZ 3.16Å
116F93.8Very high94.9Very high28 Ų2842.9 Ų42.912%0.12323%0.229CC..  trans-68.6147.4170.5-79-96.2000111.2S75 Q77 P78 C110 C114 F118S75-F116 WeakPolarHBondContact O-CZ 3.44Å; Q77-F116 WeakPolarHBondContact O-CE1 3.22Å; P78-F116 VanDerWaalsContact CA-CE1 3.44Å; P78-F116 HydrophobicContact CB-CD1 4.06Å; P78-F116 HydrophobicContact CB-CD2 4.12Å; P78-F116 HydrophobicContact CB-CE1 4.07Å; P78-F116 HydrophobicContact CB-CE2 4.14Å; P78-F116 HydrophobicContact CB-CG 4.09Å; P78-F116 HydrophobicContact CB-CZ 4.11Å; C110-F116 PolarHBondContact N-O 3.31Å; C114-F116 HydrophobicContact CB-CD2 3.82Å; C114-F116 HydrophobicContact CB-CE2 4.46Å; C114-F116 WeakPolarHBondContact O-CD2 3.34Å; C114-F116 PolarHBondContact O-N 3.04Å; F116-F118 HydrophobicContact CB-CD2 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.61Å; F116-F118 HydrophobicContact CB-CZ 3.89Å; F116-F118 WeakPolarHBondContact O-CD2 3.3Å; F116-F118 VanDerWaalsContact O-CE2 3.29Å; F116-F118 WeakPolarHBondContact O-CE2 3.41Å
117W95.1Very high94.9Very high19 Ų1943.9 Ų43.97%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-84.1151.1164.3-73.790.5000110.4C22 P24 C94 G95 I101 A107 I108 Q109C22-W117 VanDerWaalsContact CB-NE1 3.34Å; C22-W117 WeakPolarHBondContact O-CZ2 3.3Å; P24-W117 HydrophobicContact CG-CE3 3.99Å; P24-W117 HydrophobicContact CG-CH2 4.06Å; P24-W117 HydrophobicContact CG-CZ3 3.54Å; C94-W117 CarbonylContact C-O 3.55Å; C94-W117 VanDerWaalsContact CA-O 3.31Å; C94-W117 WeakPolarHBondContact CA-O 3.44Å; G95-W117 PolarHBondContact N-O 3.39Å; I101-W117 VanDerWaalsContact CD1-C 3.45Å; I101-W117 HydrophobicContact CD1-CB 3.38Å; A107-W117 HydrophobicContact CB-CE3 3.95Å; A107-W117 HydrophobicContact CB-CZ3 4.46Å; I108-W117 CarbonylContact O-C 3.48Å; Q109-W117 HydrophobicContact CB-CD2 3.89Å; Q109-W117 HydrophobicContact CB-CE3 4.02Å; Q109-W117 HydrophobicContact CB-CG 4.47Å; Q109-W117 HydrophobicContact CB-CH2 4.15Å; Q109-W117 HydrophobicContact CB-CZ2 4.02Å; Q109-W117 HydrophobicContact CB-CZ3 4.15Å; Q109-W117 HydrophobicContact CG-CD2 4.27Å; Q109-W117 HydrophobicContact CG-CG 4.44Å; Q109-W117 HydrophobicContact CG-CZ2 4.49Å
118F96.6Very high94.9Very high13 Ų1349.6 Ų49.66%0.05726%0.26CS..EExtended strand (participates in β ladder)trans-138.1133.7179.6-64.5-97.3000109.4G95 K96 A107 I108 C110 F116 R120 V123 W141 C143G95-F118 VanDerWaalsContact C-CE1 3.45Å; K96-F118 HydrophobicContact CB-CD1 4.09Å; K96-F118 HydrophobicContact CB-CE1 4.36Å; A107-F118 CarbonylContact C-O 3.51Å; A107-F118 WeakPolarHBondContact CA-O 3.37Å; A107-F118 WeakPolarHBondContact CB-O 2.91Å; I108-F118 HydrophobicContact CG2-CB 4.34Å; I108-F118 PolarHBondContact N-O 3.46Å; I108-F118 PolarHBondContact O-N 3.1Å; C110-F118 HydrophobicContact CB-CE2 3.91Å; F116-F118 HydrophobicContact CB-CD2 4.37Å; F116-F118 HydrophobicContact CB-CE2 3.61Å; F116-F118 HydrophobicContact CB-CZ 3.89Å; F116-F118 WeakPolarHBondContact O-CD2 3.3Å; F116-F118 VanDerWaalsContact O-CE2 3.29Å; F116-F118 WeakPolarHBondContact O-CE2 3.41Å; F118-R120 PolarHBondContact O-N 2.9Å; F118-V123 HydrophobicContact CB-CG1 3.64Å; F118-V123 HydrophobicContact CD1-CG1 3.72Å; F118-V123 HydrophobicContact CG-CG1 3.85Å; F118-W141 HydrophobicContact CB-CH2 4.33Å; F118-W141 HydrophobicContact CB-CZ3 4.49Å; F118-W141 AromaticContact CD2-CH2 3.76Å; F118-W141 HydrophobicContact CD2-CH2 3.76Å; F118-W141 AromaticContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CE2-CH2 4.19Å; F118-W141 AromaticContact CE2-CZ3 3.98Å; F118-W141 HydrophobicContact CE2-CZ3 3.98Å; F118-W141 AromaticContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CZ3 4.15Å; F118-C143 HydrophobicContact CE2-CB 4.08Å; F118-C143 HydrophobicContact CZ-CB 3.95Å
119H97.3Very high94.9Very high20 Ų2050.5 Ų50.59%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-58.1135.9164.7-65.3110.6000109.3C94 C97 E100 D105 T121 C122 V123C94-H119 WeakPolarHBondContact CB-ND1 3.4Å; C97-H119 PolarHBondContact SG-ND1 2.89Å; E100-H119 PolarHBondContact O-CE1 3.41Å; E100-H119 VanDerWaalsContact O-CE1 3.31Å; E100-H119 PolarHBondContact O-NE2 2.93Å; D105-H119 IonicContact OD2-CD2 3.36Å; D105-H119 IonicContact OD2-NE2 3.54Å; D105-H119 PolarHBondContact OD2-NE2 3.07Å; H119-T121 PolarHBondContact O-N 2.94Å; H119-C122 HydrophobicContact CB-CB 4.04Å; H119-C122 WeakPolarHBondContact O-CB 3.48Å; H119-C122 PolarHBondContact O-N 3.18Å; H119-V123 PolarHBondContact O-N 2.91Å
120R97.6Very high95Very high46 Ų4650.1 Ų50.117%0.17427%0.266CS..G310 helixtrans-48.5-46.4176.3-177.6-1676285.4-10.8111.6Q106 F118 C122 V123 G124 L125 W130Q106-R120 HydrophobicContact CB-CB 3.96Å; Q106-R120 WeakPolarHBondContact O-CB 3.46Å; Q106-R120 PolarHBondContact O-N 3.32Å; F118-R120 PolarHBondContact O-N 2.9Å; R120-C122 VanDerWaalsContact C-N 3.34Å; R120-C122 PolarHBondContact O-N 3.43Å; R120-V123 VanDerWaalsContact O-CG2 3.3Å; R120-V123 WeakPolarHBondContact O-CG2 3.5Å; R120-V123 PolarHBondContact O-N 2.8Å; R120-G124 PolarHBondContact O-N 3.23Å; R120-L125 WeakPolarHBondContact CD-O 3.41Å; R120-L125 HydrophobicContact CG-CB 3.89Å; R120-L125 HydrophobicContact CG-CG 4.45Å; R120-L125 WeakPolarHBondContact CG-O 3.4Å; R120-L125 PolarHBondContact NH1-O 3.32Å; R120-L125 PolarHBondContact O-N 3.21Å; R120-W130 HydrophobicContact CG-CB 4.04Å; R120-W130 HydrophobicContact CG-CG 4.14Å
121T97.7Very high95.1Very high96 Ų9652.9 Ų52.959%0.58928%0.279SS*.G310 helixtrans-67.4-30.8-179.554.30000113.1H119 V123 G124H119-T121 PolarHBondContact O-N 2.94Å; T121-V123 VanDerWaalsContact C-N 3.27Å; T121-V123 PolarHBondContact O-N 3.45Å; T121-G124 PolarHBondContact O-N 3.33Å
122C97.5Very high95.3Very high29 Ų2957 Ų5720%0.19630%0.302CS..G310 helixtrans-71-22.2178.1-73.30000113.5K96 C97 H119 R120K96-C122 HydrophobicContact CB-CB 3.95Å; K96-C122 HydrophobicContact CG-CB 4.15Å; C97-C122 VanDerWaalsContact SG-SG 3.67Å; H119-C122 HydrophobicContact CB-CB 4.04Å; H119-C122 WeakPolarHBondContact O-CB 3.48Å; H119-C122 PolarHBondContact O-N 3.18Å; R120-C122 VanDerWaalsContact C-N 3.34Å; R120-C122 PolarHBondContact O-N 3.43Å
123V97.1Very high95.8Very high40 Ų4053.8 Ų53.824%0.24229%0.293CS..G310 helixtrans-106.94.3177.9-61.90000112.8I108 F118 H119 R120 T121 L125 W141I108-V123 HydrophobicContact CG2-CG2 4.22Å; F118-V123 HydrophobicContact CB-CG1 3.64Å; F118-V123 HydrophobicContact CD1-CG1 3.72Å; F118-V123 HydrophobicContact CG-CG1 3.85Å; H119-V123 PolarHBondContact O-N 2.91Å; R120-V123 VanDerWaalsContact O-CG2 3.3Å; R120-V123 WeakPolarHBondContact O-CG2 3.5Å; R120-V123 PolarHBondContact O-N 2.8Å; T121-V123 VanDerWaalsContact C-N 3.27Å; T121-V123 PolarHBondContact O-N 3.45Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CG2-CB 4.14Å; V123-L125 PolarHBondContact O-N 3.4Å; V123-W141 HydrophobicContact CB-CH2 4.32Å; V123-W141 HydrophobicContact CB-CZ2 3.93Å; V123-W141 HydrophobicContact CG1-CH2 3.75Å; V123-W141 HydrophobicContact CG1-CZ2 3.87Å; V123-W141 HydrophobicContact CG2-CH2 4.48Å; V123-W141 HydrophobicContact CG2-CZ2 4.06Å
124G96.9Very high96Very high66 Ų6656.3 Ų56.368%0.6831%0.306SS*.THydrogen-bonded Turntrans68.720.7175.300000114.8R120 T121R120-G124 PolarHBondContact O-N 3.23Å; T121-G124 PolarHBondContact O-N 3.33Å
125L96.4Very high96.1Very high29 Ų2958.9 Ų58.915%0.15232%0.317CS..  trans-77.3127.7179.4-171.564.9000109.7I108 R120 V123 A129 W130 I133I108-L125 HydrophobicContact CD1-CD2 3.84Å; R120-L125 WeakPolarHBondContact CD-O 3.41Å; R120-L125 HydrophobicContact CG-CB 3.89Å; R120-L125 HydrophobicContact CG-CG 4.45Å; R120-L125 WeakPolarHBondContact CG-O 3.4Å; R120-L125 PolarHBondContact NH1-O 3.32Å; R120-L125 PolarHBondContact O-N 3.21Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 HydrophobicContact CG2-CB 4.14Å; V123-L125 PolarHBondContact O-N 3.4Å; L125-A129 HydrophobicContact CD1-CB 3.68Å; L125-A129 HydrophobicContact CG-CB 4.25Å; L125-W130 HydrophobicContact CD2-CB 3.7Å; L125-W130 HydrophobicContact CD2-CG 4.29Å; L125-W130 HydrophobicContact CG-CB 4.12Å; L125-I133 HydrophobicContact CD1-CD1 4.28Å; L125-I133 HydrophobicContact CD2-CD1 4.17Å
126I97.2Very high96.2Very high105 Ų10558.7 Ų58.754%0.53832%0.317SS..  trans-66.3155173.162.6170.9000110.5E128 A129 W130I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 HydrophobicContact CD1-CB 4.49Å; I126-E128 PolarHBondContact O-N 3.37Å; I126-A129 HydrophobicContact CD1-CB 4.2Å; I126-A129 HydrophobicContact CG1-CB 3.5Å; I126-A129 VanDerWaalsContact CG1-CB 3.5Å; I126-A129 PolarHBondContact O-N 3.41Å; I126-W130 PolarHBondContact O-N 2.81Å
127E96.4Very high96Very high82 Ų8262.6 Ų62.638%0.38335%0.345SS..Hα-helixtrans-62.7-40.2-174-178.5161.2-15000112.2Q106 A129 W130 H131Q106-E127 PolarHBondContact NE2-OE1 3Å; E127-A129 PolarHBondContact O-N 3.16Å; E127-W130 WeakPolarHBondContact O-CB 3.47Å; E127-W130 PolarHBondContact O-N 2.81Å; E127-H131 PolarHBondContact O-CD2 3.31Å; E127-H131 PolarHBondContact O-N 3.31Å
128E96.6Very high95.8Very high122 Ų12271 Ų7157%0.5738%0.379SS*.Hα-helixtrans-64.2-43.4178.8-61.174.8-164.300111.7I126 W130 H131 M132I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 HydrophobicContact CD1-CB 4.49Å; I126-E128 PolarHBondContact O-N 3.37Å; E128-W130 VanDerWaalsContact C-N 3.34Å; E128-H131 PolarHBondContact O-N 2.89Å; E128-M132 WeakPolarHBondContact O-CG 3.22Å; E128-M132 PolarHBondContact O-N 3.24Å
129A96.1Very high95.5Very high26 Ų2672.3 Ų72.322%0.21539%0.392CS..Hα-helixtrans-66.5-38.1177.300000111.5L125 I126 E127 M132 I133L125-A129 HydrophobicContact CD1-CB 3.68Å; L125-A129 HydrophobicContact CG-CB 4.25Å; I126-A129 HydrophobicContact CD1-CB 4.2Å; I126-A129 HydrophobicContact CG1-CB 3.5Å; I126-A129 VanDerWaalsContact CG1-CB 3.5Å; I126-A129 PolarHBondContact O-N 3.41Å; E127-A129 PolarHBondContact O-N 3.16Å; A129-M132 PolarHBondContact O-N 3.32Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.36Å; A129-I133 VanDerWaalsContact O-N 3.07Å
130W97.1Very high95.2Very high16 Ų1675 Ų756%0.06140%0.404CS..Hα-helixtrans-60.1-49172.7178.379.8000111.1P27 Q106 A107 R120 L125 I126 E127 E128 M132 I133 V134P27-W130 HydrophobicContact CB-CH2 4.44Å; P27-W130 HydrophobicContact CB-CZ3 4.39Å; P27-W130 HydrophobicContact CG-CH2 4.37Å; P27-W130 HydrophobicContact CG-CZ3 4.31Å; Q106-W130 HydrophobicContact CB-CZ2 4.31Å; Q106-W130 HydrophobicContact CG-CH2 4.21Å; Q106-W130 HydrophobicContact CG-CZ2 4.42Å; Q106-W130 HydrophobicContact CG-CZ3 4.24Å; A107-W130 PolarHBondContact O-NE1 2.01Å; R120-W130 HydrophobicContact CG-CB 4.04Å; R120-W130 HydrophobicContact CG-CG 4.14Å; L125-W130 HydrophobicContact CD2-CB 3.7Å; L125-W130 HydrophobicContact CD2-CG 4.29Å; L125-W130 HydrophobicContact CG-CB 4.12Å; I126-W130 PolarHBondContact O-N 2.81Å; E127-W130 WeakPolarHBondContact O-CB 3.47Å; E127-W130 PolarHBondContact O-N 2.81Å; E128-W130 VanDerWaalsContact C-N 3.34Å; W130-M132 VanDerWaalsContact C-N 3.31Å; W130-M132 PolarHBondContact O-N 3.4Å; W130-I133 PolarHBondContact O-N 2.79Å; W130-V134 HydrophobicContact CD2-CG1 4.18Å; W130-V134 HydrophobicContact CD2-CG2 4.35Å; W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 HydrophobicContact CG-CG1 4.37Å; W130-V134 HydrophobicContact CH2-CG2 4.27Å; W130-V134 HydrophobicContact CZ2-CG1 4Å; W130-V134 HydrophobicContact CZ2-CG2 4.25Å; W130-V134 HydrophobicContact CZ3-CG2 4.33Å; W130-V134 WeakPolarHBondContact O-CG1 3.31Å; W130-V134 WeakPolarHBondContact O-CG2 3.36Å; W130-V134 PolarHBondContact O-N 3.31Å
131H96.5Very high95.1Very high59 Ų5974.6 Ų74.627%0.27340%0.403SS..Hα-helixtrans-58.2-40.5176.2-79.9-59.7000113.2E127 E128 N135E127-H131 PolarHBondContact O-CD2 3.31Å; E127-H131 PolarHBondContact O-N 3.31Å; E128-H131 PolarHBondContact O-N 2.89Å; H131-N135 VanDerWaalsContact O-CB 3.24Å; H131-N135 WeakPolarHBondContact O-CB 3.14Å; H131-N135 VanDerWaalsContact O-CG 3.26Å; H131-N135 PolarHBondContact O-N 3.44Å; H131-N135 PolarHBondContact O-ND2 2.83Å
132M95.8Very high95Very high143 Ų14371.1 Ų71.170%0.70438%0.381SS*.Hα-helixtrans-63.3-43.6176.8-72.4178.867.100111.8E128 A129 W130 E136E128-M132 WeakPolarHBondContact O-CG 3.22Å; E128-M132 PolarHBondContact O-N 3.24Å; A129-M132 PolarHBondContact O-N 3.32Å; W130-M132 VanDerWaalsContact C-N 3.31Å; W130-M132 PolarHBondContact O-N 3.4Å; M132-E136 WeakPolarHBondContact O-CB 3.4Å; M132-E136 PolarHBondContact O-N 3.03Å
133I94.8Very high94.9Very high41 Ų4170.2 Ų70.221%0.2138%0.375CS..Hα-helixtrans-70.8-48.4-177.6-63.8162.1000111.3I108 L125 A129 W130 N135 E136 A139 W141I108-I133 HydrophobicContact CD1-CB 4.41Å; I108-I133 HydrophobicContact CD1-CD1 4.24Å; I108-I133 HydrophobicContact CD1-CG2 3.96Å; L125-I133 HydrophobicContact CD1-CD1 4.28Å; L125-I133 HydrophobicContact CD2-CD1 4.17Å; A129-I133 VanDerWaalsContact O-CG1 3.32Å; A129-I133 WeakPolarHBondContact O-CG1 3.31Å; A129-I133 PolarHBondContact O-N 3.36Å; A129-I133 VanDerWaalsContact O-N 3.07Å; W130-I133 PolarHBondContact O-N 2.79Å; I133-N135 PolarHBondContact O-N 3.5Å; I133-E136 PolarHBondContact O-N 2.83Å; I133-A139 HydrophobicContact CG2-CB 4.36Å; I133-W141 HydrophobicContact CG2-CB 4.21Å
134V93.9Very high94.7Very high61 Ų6173.7 Ų73.737%0.3739%0.393SS..Hα-helixtrans-70.1-21.7-175.3-58.20000113.6W130W130-V134 HydrophobicContact CD2-CG1 4.18Å; W130-V134 HydrophobicContact CD2-CG2 4.35Å; W130-V134 HydrophobicContact CE3-CG2 4.35Å; W130-V134 HydrophobicContact CG-CG1 4.37Å; W130-V134 HydrophobicContact CH2-CG2 4.27Å; W130-V134 HydrophobicContact CZ2-CG1 4Å; W130-V134 HydrophobicContact CZ2-CG2 4.25Å; W130-V134 HydrophobicContact CZ3-CG2 4.33Å; W130-V134 WeakPolarHBondContact O-CG1 3.31Å; W130-V134 WeakPolarHBondContact O-CG2 3.36Å; W130-V134 PolarHBondContact O-N 3.31Å
135N94.9Very high94.5Very high98 Ų9874 Ų7452%0.52439%0.389SS..Hα-helixtrans-95.2-10.1178.2-68-37000113.5H131 I133 P137H131-N135 VanDerWaalsContact O-CB 3.24Å; H131-N135 WeakPolarHBondContact O-CB 3.14Å; H131-N135 VanDerWaalsContact O-CG 3.26Å; H131-N135 PolarHBondContact O-N 3.44Å; H131-N135 PolarHBondContact O-ND2 2.83Å; I133-N135 PolarHBondContact O-N 3.5Å; N135-P137 WeakPolarHBondContact O-CD 3.47Å
136E94.5Very high94.4Very high94 Ų9473.1 Ų73.144%0.43939%0.385SS..  trans-99106.7-179.8-178.658.3-131.200109.3M132 I133 Y138 A139M132-E136 WeakPolarHBondContact O-CB 3.4Å; M132-E136 PolarHBondContact O-N 3.03Å; I133-E136 PolarHBondContact O-N 2.83Å; E136-Y138 PolarHBondContact O-N 2.85Å; E136-Y138 VanDerWaalsContact O-N 3.07Å; E136-Y138 WeakPolarHBondContact OE1-CD2 3.43Å; E136-A139 HydrophobicContact CB-CB 3.7Å; E136-A139 HydrophobicContact CG-CB 3.69Å; E136-A139 PolarHBondContact O-N 3.43Å
137P90.5Very high94.2Very high109 Ų10971 Ų7171%0.70837%0.374SS*.THydrogen-bonded Turntrans-64.4-19.2-172.226.4-35.5000113.8N135N135-P137 WeakPolarHBondContact O-CD 3.47Å
138Y89.6Confident93.9Very high197 Ų19773.2 Ų73.277%0.77339%0.393SS*.THydrogen-bonded Turntrans-96.6-6.2177.5-57.2-68.5000113.3E136E136-Y138 PolarHBondContact O-N 2.85Å; E136-Y138 VanDerWaalsContact O-N 3.07Å; E136-Y138 WeakPolarHBondContact OE1-CD2 3.43Å
139A91.5Very high93.7Very high40 Ų4071.1 Ų71.133%0.33140%0.397SS..  trans-87.6135.6177.300000110.3I133 E136I133-A139 HydrophobicContact CG2-CB 4.36Å; E136-A139 HydrophobicContact CB-CB 3.7Å; E136-A139 HydrophobicContact CG-CB 3.69Å; E136-A139 PolarHBondContact O-N 3.43Å
140E91.6Very high93.2Very high75 Ų7575.4 Ų75.435%0.3541%0.41SS..  trans-127.7141.9174.5-65.7177.6-163.900109.8Y111 R112Y111-E140 HydrophobicContact CD1-CG 3.98Å; Y111-E140 WeakPolarHBondContact CD1-OE2 3.29Å; Y111-E140 HydrophobicContact CG-CG 4.33Å; R112-E140 WeakPolarHBondContact CD-OE2 3.15Å; R112-E140 WeakPolarHBondContact CG-OE2 3.39Å; R112-E140 IonicContact CZ-OE1 2.63Å; R112-E140 IonicContact CZ-OE2 2.93Å; R112-E140 IonicContact NE-OE1 3.3Å; R112-E140 IonicContact NE-OE2 3.94Å; R112-E140 PolarHBondContact NE-OE2 3.34Å; R112-E140 IonicContact NH2-OE1 3.33Å; R112-E140 PolarHBondContact NH2-OE1 2.97Å; R112-E140 IonicContact NH2-OE2 3.64Å; R112-E140 PolarHBondContact NH2-OE2 3.13Å
141W94.8Very high92.4Very high38 Ų3883.4 Ų83.414%0.14445%0.448CS..  trans-104.8146.3174.1-179.485.5000111.8I108 C110 Y111 F118 V123 I133 C143I108-W141 HydrophobicContact CB-CE3 4.44Å; I108-W141 HydrophobicContact CD1-CB 3.37Å; I108-W141 HydrophobicContact CD1-CD2 3.93Å; I108-W141 HydrophobicContact CD1-CE3 4.4Å; I108-W141 HydrophobicContact CD1-CG 3.46Å; I108-W141 VanDerWaalsContact CD1-CG 3.46Å; I108-W141 HydrophobicContact CG1-CB 3.8Å; I108-W141 HydrophobicContact CG1-CD2 4.04Å; I108-W141 HydrophobicContact CG1-CE3 3.99Å; I108-W141 HydrophobicContact CG1-CG 3.98Å; I108-W141 HydrophobicContact CG2-CD2 3.99Å; I108-W141 HydrophobicContact CG2-CE3 3.79Å; I108-W141 HydrophobicContact CG2-CH2 4.27Å; I108-W141 HydrophobicContact CG2-CZ2 4.47Å; I108-W141 HydrophobicContact CG2-CZ3 3.94Å; C110-W141 WeakPolarHBondContact CA-O 3.37Å; C110-W141 HydrophobicContact CB-CE3 4.28Å; C110-W141 HydrophobicContact CB-CZ3 3.9Å; Y111-W141 PolarHBondContact N-O 3.25Å; F118-W141 HydrophobicContact CB-CH2 4.33Å; F118-W141 HydrophobicContact CB-CZ3 4.49Å; F118-W141 AromaticContact CD2-CH2 3.76Å; F118-W141 HydrophobicContact CD2-CH2 3.76Å; F118-W141 AromaticContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CD2-CZ3 3.52Å; F118-W141 HydrophobicContact CE2-CH2 4.19Å; F118-W141 AromaticContact CE2-CZ3 3.98Å; F118-W141 HydrophobicContact CE2-CZ3 3.98Å; F118-W141 AromaticContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CH2 3.97Å; F118-W141 HydrophobicContact CG-CZ3 4.15Å; V123-W141 HydrophobicContact CB-CH2 4.32Å; V123-W141 HydrophobicContact CB-CZ2 3.93Å; V123-W141 HydrophobicContact CG1-CH2 3.75Å; V123-W141 HydrophobicContact CG1-CZ2 3.87Å; V123-W141 HydrophobicContact CG2-CH2 4.48Å; V123-W141 HydrophobicContact CG2-CZ2 4.06Å; I133-W141 HydrophobicContact CG2-CB 4.21Å; W141-C143 HydrophobicContact CH2-CB 3.44Å; W141-C143 VanDerWaalsContact CH2-CB 3.44Å; W141-C143 HydrophobicContact CZ2-CB 4.1Å; W141-C143 HydrophobicContact CZ3-CB 3.9Å
142V95Very high91.8Very high24 Ų2481.6 Ų81.615%0.14544%0.44CS..  trans-134.4131.2-179178.40000108.2R112 C146 L147 I152R112-V142 HydrophobicContact CB-CG2 4.13Å; V142-C146 HydrophobicContact CG1-CB 3.75Å; V142-L147 HydrophobicContact CG1-CB 4.26Å; V142-I152 HydrophobicContact CB-CD1 4.49Å; V142-I152 HydrophobicContact CG1-CD1 3.45Å; V142-I152 VanDerWaalsContact CG1-CD1 3.45Å; V142-I152 HydrophobicContact CG2-CD1 4.23Å; V142-I152 HydrophobicContact CG2-CG2 4.27Å
143C95.5Very high91.2Very high10 Ų1078.6 Ų78.67%0.06843%0.432CS..  trans-69.8151.2176.772.90000112.1C110 F118 W141 A145 C146 L147C110-C143 HydrophobicContact CB-CB 4.25Å; C110-C143 PolarHBondContact SG-N 3.01Å; F118-C143 HydrophobicContact CE2-CB 4.08Å; F118-C143 HydrophobicContact CZ-CB 3.95Å; W141-C143 HydrophobicContact CH2-CB 3.44Å; W141-C143 VanDerWaalsContact CH2-CB 3.44Å; W141-C143 HydrophobicContact CZ2-CB 4.1Å; W141-C143 HydrophobicContact CZ3-CB 3.9Å; C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 3Å; C143-A145 VanDerWaalsContact O-N 3.13Å; C143-C146 PolarHBondContact O-N 3.3Å; C143-C146 VanDerWaalsContact SG-SG 3.64Å; C143-L147 PolarHBondContact O-N 3.21Å
144D93.2Very high90.7Very high113 Ų11385.3 Ų85.360%0.60446%0.46SS*.Hα-helixtrans-51.5-42.4-176.5-56-25.4000113.3C146 L147 V148D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 3.19Å; D144-L147 PolarHBondContact O-N 2.86Å; D144-V148 WeakPolarHBondContact O-CG2 3.38Å; D144-V148 PolarHBondContact O-N 3Å
145A93.3Very high90.2Very high73 Ų7387.1 Ų87.160%0.60347%0.471SS*.Hα-helixtrans-60.7-40.5179.400000112.3C143 A149C143-A145 VanDerWaalsContact C-N 3.25Å; C143-A145 PolarHBondContact O-N 3Å; C143-A145 VanDerWaalsContact O-N 3.13Å; A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 3.45Å; A145-A149 VanDerWaalsContact O-N 3.1Å
146C94.7Very high89.5Confident9 Ų985.8 Ų85.86%0.06146%0.463CS..Hα-helixtrans-76.4-35.9177.4-72.60000112.1G113 C114 V142 C143 D144 V148 A149 K150 I152G113-C146 WeakPolarHBondContact CA-SG 3.33Å; C114-C146 PolarHBondContact N-SG 2.95Å; V142-C146 HydrophobicContact CG1-CB 3.75Å; C143-C146 PolarHBondContact O-N 3.3Å; C143-C146 VanDerWaalsContact SG-SG 3.64Å; D144-C146 VanDerWaalsContact C-N 3.31Å; D144-C146 PolarHBondContact O-N 3.19Å; C146-V148 VanDerWaalsContact C-N 3.31Å; C146-V148 PolarHBondContact O-N 3.01Å; C146-A149 PolarHBondContact O-N 2.85Å; C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.09Å; C146-K150 PolarHBondContact O-N 2.74Å; C146-I152 HydrophobicContact CB-CD1 4.21Å
147L91.8Very high88.9Confident62 Ų6290.3 Ų90.333%0.32548%0.481SS..Hα-helixtrans-59-45.6175.8-175.963.5000110.9V142 C143 D144 F154V142-L147 HydrophobicContact CG1-CB 4.26Å; C143-L147 PolarHBondContact O-N 3.21Å; D144-L147 PolarHBondContact O-N 2.86Å; L147-F154 HydrophobicContact CD1-CD1 4.5Å; L147-F154 HydrophobicContact CD1-CE1 3.78Å; L147-F154 HydrophobicContact CD1-CZ 4.2Å; L147-F154 HydrophobicContact CD2-CE1 4.18Å
148V90.7Very high88.1Confident127 Ų12790.2 Ų90.277%0.7748%0.479SS*.Hα-helixtrans-67.9-44.7177.6174.20000111.8D144 C146D144-V148 WeakPolarHBondContact O-CG2 3.38Å; D144-V148 PolarHBondContact O-N 3Å; C146-V148 VanDerWaalsContact C-N 3.31Å; C146-V148 PolarHBondContact O-N 3.01Å
149A92.5Very high87.1Confident79 Ų7988.7 Ų88.765%0.65348%0.484SS*.Hα-helixtrans-80.4-31.5-171.100000114.6A145 C146A145-A149 WeakPolarHBondContact O-CB 3.45Å; A145-A149 PolarHBondContact O-N 3.45Å; A145-A149 VanDerWaalsContact O-N 3.1Å; C146-A149 PolarHBondContact O-N 2.85Å
150K84.2Confident85.7Confident116 Ų11695 Ų9550%0.50453%0.526SS..Hα-helixtrans-110.37.4-164.2-61.3-170.4177.2-164.70115.1G113 C146 I152G113-K150 PolarHBondContact O-NZ 2.95Å; C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.09Å; C146-K150 PolarHBondContact O-N 2.74Å; K150-I152 HydrophobicContact CB-CD1 3.9Å; K150-I152 HydrophobicContact CB-CG1 3.77Å; K150-I152 HydrophobicContact CD-CD1 4.5Å; K150-I152 PolarHBondContact O-N 2.91Å; K150-I152 VanDerWaalsContact O-N 3.17Å
151Q82.2Confident85.4Confident183 Ų18396 Ų9686%0.85554%0.535SS*.THydrogen-bonded Turntrans44.747.2-178-63.8-173.4-5.500112.7
152I82.4Confident84.9Confident21 Ų2199.1 Ų99.111%0.10856%0.555CS.*  trans-73125.6-174.2-63.8164000108.7R112 V142 C146 K150R112-I152 HydrophobicContact CB-CD1 4.02Å; R112-I152 HydrophobicContact CB-CG1 4.49Å; R112-I152 HydrophobicContact CB-CG2 4.16Å; V142-I152 HydrophobicContact CB-CD1 4.49Å; V142-I152 HydrophobicContact CG1-CD1 3.45Å; V142-I152 VanDerWaalsContact CG1-CD1 3.45Å; V142-I152 HydrophobicContact CG2-CD1 4.23Å; V142-I152 HydrophobicContact CG2-CG2 4.27Å; C146-I152 HydrophobicContact CB-CD1 4.21Å; K150-I152 HydrophobicContact CB-CD1 3.9Å; K150-I152 HydrophobicContact CB-CG1 3.77Å; K150-I152 HydrophobicContact CD-CD1 4.5Å; K150-I152 PolarHBondContact O-N 2.91Å; K150-I152 VanDerWaalsContact O-N 3.17Å
153P82.8Confident84.3Confident80 Ų80103.2 Ų103.252%0.51958%0.578SS.*  trans-65.4136.8178.327-34.3000110.4V155 I156P153-V155 VanDerWaalsContact C-N 3.27Å; P153-V155 PolarHBondContact O-N 3.5Å; P153-I156 HydrophobicContact CG-CD1 4.32Å; P153-I156 HydrophobicContact CG-CG1 3.93Å
154F85.3Confident83.7Confident182 Ų182108.7 Ų108.780%0.79861%0.608SS**SBendtrans-68.4-26.8179.5-66.5-68.8000113.5L147L147-F154 HydrophobicContact CD1-CD1 4.5Å; L147-F154 HydrophobicContact CD1-CE1 3.78Å; L147-F154 HydrophobicContact CD1-CZ 4.2Å; L147-F154 HydrophobicContact CD2-CE1 4.18Å
155V82.2Confident83.1Confident99 Ų99108.4 Ų108.460%0.661%0.608SS**  trans-133.9132.5-179.4179.90000108.1P153 F157P153-V155 VanDerWaalsContact C-N 3.27Å; P153-V155 PolarHBondContact O-N 3.5Å; V155-F157 HydrophobicContact CG1-CE1 4.26Å; V155-F157 HydrophobicContact CG1-CE2 4.32Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å
156I82Confident82.4Confident70 Ų70110.8 Ų110.836%0.35961%0.608SS.*  trans-119119.2-179-60.8173.8000107.2P153 T158P153-I156 HydrophobicContact CG-CD1 4.32Å; P153-I156 HydrophobicContact CG-CG1 3.93Å; I156-T158 HydrophobicContact CG2-CG2 4.43Å; I156-T158 PolarHBondContact O-N 2.69Å
157F82Confident81.5Confident190 Ų190118.1 Ų118.183%0.83365%0.648SS**  trans-85.4103.6175-61.2-77.9000108.5V155V155-F157 HydrophobicContact CG1-CE1 4.26Å; V155-F157 HydrophobicContact CG1-CE2 4.32Å; V155-F157 HydrophobicContact CG1-CZ 4.05Å
158T73.9Confident80.7Confident106 Ų106122.4 Ų122.465%0.6567%0.672SS**  trans-84.4112.5166.755.20000107.9I156 S160I156-T158 HydrophobicContact CG2-CG2 4.43Å; I156-T158 PolarHBondContact O-N 2.69Å; T158-S160 PolarHBondContact O-N 3.24Å; T158-S160 VanDerWaalsContact O-N 3.12Å
159N68.6Low79.9Confident166 Ų166122 Ų12289%0.88866%0.664SS**  trans-67.1112.6173.5-159.185.7000108
160S60.7Low78.7Confident172 Ų172125.9 Ų125.9100%1.20367%0.665SS**  trans-680173-48.80000111.7T158T158-S160 PolarHBondContact O-N 3.24Å; T158-S160 VanDerWaalsContact O-N 3.12Å

Retrieved 160 of 160 residues in 97.8 ms (Link to these results)