A0A087WTX3_HUMAN Loading...

Tribbles pseudokinase 3

AlphaFold DB , UniProt , Accession A0A087WTX3, Species HUMAN (Homo sapiens, Human), Gene TRIB3, Length 130 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
1M41.7Very low45.6Very low248 Ų248137.5 Ų137.5100%1.22286%0.859SS**  0133.90-74.5-178.1173.900108.1
2R42.2Very low45.8Very low246 Ų246135.9 Ų135.993%0.92886%0.857SS**  trans-66.6132.4-167.4-76.7171.3165.6171.9-6111.7
3A43.9Very low45.9Very low103 Ų103138.4 Ų138.485%0.85186%0.858SS**  trans-88.4123.6166.800000109
4T48.5Very low46.1Very low132 Ų132136.4 Ų136.481%0.8185%0.852SS**  trans-105.2119.6171.7-42.50000107.3
5P53.2Low46.7Very low120 Ų120143.3 Ų143.378%0.77986%0.856SS**PPolyproline II helixtrans-83.1132.6174.120.7-10.7000110.6
6L43Very low47.3Very low177 Ų177146.9 Ų146.993%0.92786%0.857SS**PPolyproline II helixtrans-71.5122.5175.6-176.365.9000109.5
7A43.8Very low47.9Very low93 Ų93150.8 Ų150.877%0.76986%0.861SS**PPolyproline II helixtrans-70.4131.3-175.400000112.4
8A48.8Very low48.5Very low92 Ų92153.7 Ų153.776%0.7686%0.856SS**PPolyproline II helixtrans-80.413916800000110.2A10A8-A10 PolarHBondContact O-N 2.8Å
9P47.6Very low48.7Very low131 Ų131153.9 Ų153.985%0.85185%0.854SS**PPolyproline II helixtrans-70.7128179.226.5-31.1000111.2
10A47Very low48.9Very low99 Ų99153.9 Ų153.982%0.81885%0.847SS**PPolyproline II helixtrans-61.8136.7179.600000111.9A8 S12A8-A10 PolarHBondContact O-N 2.8Å; A10-S12 PolarHBondContact O-N 3.44Å
11G41.7Very low48.9Very low71 Ų71153.7 Ų153.773%0.73284%0.844SS**PPolyproline II helixtrans-54.2134.5174.300000112L13G11-L13 PolarHBondContact O-N 2.9Å; G11-L13 VanDerWaalsContact O-N 3.13Å
12S48.2Very low49.3Very low119 Ų119148.5 Ų148.583%0.83282%0.821SS**  trans-67.6106.4172.945.40000109.7A10 S14A10-S12 PolarHBondContact O-N 3.44Å; S12-S14 PolarHBondContact O-N 3.49Å
13L47.8Very low49.9Very low168 Ų168143 Ų14388%0.8881%0.81SS**  trans-66.4103.8166.6-70.2167.7000108.2G11 R15G11-L13 PolarHBondContact O-N 2.9Å; G11-L13 VanDerWaalsContact O-N 3.13Å; L13-R15 PolarHBondContact O-N 3.3Å
14S48.3Very low50.2Low110 Ų110143.8 Ų143.877%0.76980%0.8SS**  trans-55.2110.2171.8-178.20000109.3S12 K16S12-S14 PolarHBondContact O-N 3.49Å; S14-K16 PolarHBondContact O-N 2.96Å
15R55.3Low50.7Low241 Ų241145 Ų14591%0.90980%0.801SS**  trans-64.7103.2177.9-71.1-177.9-179.1-171.50.3108.3L13 K17L13-R15 PolarHBondContact O-N 3.3Å; R15-K17 PolarHBondContact O-N 2.95Å; R15-K17 VanDerWaalsContact O-N 3.1Å
16K56.4Low50.7Low201 Ų201145.4 Ų145.487%0.87480%0.797SS**  trans-60.2112167.6-62178.2179.5179.20107.6S14 R18S14-K16 PolarHBondContact O-N 2.96Å; K16-R18 PolarHBondContact O-N 3.33Å; K16-R18 VanDerWaalsContact O-N 3.13Å
17K57.6Low51.4Low212 Ų212142.5 Ų142.592%0.92279%0.787SS**  trans-65.2109.1165.5-111.8-166.2175.3-169.80106.9R15 L19R15-K17 PolarHBondContact O-N 2.95Å; R15-K17 VanDerWaalsContact O-N 3.1Å; K17-L19 PolarHBondContact O-N 2.78Å
18R58.5Low52.2Low204 Ų204146.1 Ų146.177%0.7779%0.787SS**  trans-69.3120.2168.8-173.1179.9179.9-147.12.6107K16 E20K16-R18 PolarHBondContact O-N 3.33Å; K16-R18 VanDerWaalsContact O-N 3.13Å; R18-E20 IonicContact NH1-OE1 3.52Å; R18-E20 PolarHBondContact O-N 3.29Å
19L51.2Low52.8Low158 Ų158152.3 Ų152.383%0.82779%0.791SS**  trans-74.8110.1169.3-175.373.4000106.8K17K17-L19 PolarHBondContact O-N 2.78Å
20E53.4Low53.6Low152 Ų152151.8 Ų151.871%0.7179%0.788SS**  trans-85.8115.1167.4-63.5-166.112300106.8R18 D22R18-E20 IonicContact NH1-OE1 3.52Å; R18-E20 PolarHBondContact O-N 3.29Å; E20-D22 PolarHBondContact O-N 2.87Å
21L48.7Very low54.6Low150 Ų150153.4 Ų153.479%0.78579%0.787SS**  trans-83.4110.6173.3-172.864.6000106.7D23L21-D23 PolarHBondContact O-N 3.33Å
22D49.3Very low55.8Low139 Ų139156.9 Ų156.974%0.74378%0.784SS**  trans-67.8110172-174.5-111.9000108.5E20 N24E20-D22 PolarHBondContact O-N 2.87Å; D22-N24 VanDerWaalsContact C-N 3.31Å; D22-N24 PolarHBondContact O-N 2.81Å; D22-N24 WeakPolarHBondContact OD1-CB 3.49Å
23D54.9Low56.8Low131 Ų131161.2 Ų161.270%0.70179%0.788SS**  trans-92.168.7177.7-145.6-39.4000108.3L21L21-D23 PolarHBondContact O-N 3.33Å
24N52Low58Low119 Ų119163.1 Ų163.164%0.63678%0.784SS**  trans-109.575.2169.1-160.5-46.1000109D22 D26D22-N24 VanDerWaalsContact C-N 3.31Å; D22-N24 PolarHBondContact O-N 2.81Å; D22-N24 WeakPolarHBondContact OD1-CB 3.49Å; N24-D26 PolarHBondContact O-N 3.4Å; N24-D26 VanDerWaalsContact O-N 3.09Å
25L57.2Low59Low159 Ų159162.6 Ų162.683%0.83279%0.786SS**  trans-81.668.1172.1-71.5171.9000110.1T27L25-T27 PolarHBondContact O-N 2.91Å
26D53.5Low59.7Low128 Ų128161.6 Ų161.668%0.68478%0.782SS**  trans-86.598.4164.7-160.915.3000110.5N24N24-D26 PolarHBondContact O-N 3.4Å; N24-D26 VanDerWaalsContact O-N 3.09Å
27T57.8Low60.1Low116 Ų116158.3 Ų158.371%0.71278%0.784SS**SBendtrans46.282.6138.5-390000119.2L25L25-T27 PolarHBondContact O-N 2.91Å
28E60.5Low60.8Low168 Ų168150 Ų15079%0.78576%0.759SS**  trans-155.9113.4130.2-114.5-71.190.700108.5
29R61.8Low61.3Low222 Ų222146.8 Ų146.884%0.83876%0.764SS**  trans-75.3129.3178.5-70.5179.7173.7176.7-1107.8V31R29-V31 PolarHBondContact O-N 2.82Å
30P65.4Low62.3Low121 Ų121145.8 Ų145.879%0.78676%0.756SS**  trans-61.7128.9176.923.8-31.3000109.9Q32P30-Q32 PolarHBondContact O-N 2.92Å
31V67.3Low63.3Low132 Ų132143.5 Ų143.580%0.875%0.754SS**  trans-56.4113.4-179.5176.90000109.8R29 K33R29-V31 PolarHBondContact O-N 2.82Å; V31-K33 PolarHBondContact O-N 2.78Å
32Q66.9Low64.5Low145 Ų145148 Ų14868%0.67876%0.761SS**  trans-74.7107.8-178.9-146-18022.800109.4P30 R34P30-Q32 PolarHBondContact O-N 2.92Å; Q32-R34 PolarHBondContact O-N 2.81Å
33K68.2Low65.6Low209 Ų209148.9 Ų148.991%0.90976%0.764SS**  trans-64.5107.8172.5-78.5-172.7176.5179.20109.4V31V31-K33 PolarHBondContact O-N 2.78Å
34R72.9Confident66.7Low209 Ų209147.5 Ų147.579%0.78976%0.762SS**  trans-95.3134.9172.1-65.8-175.1178.9-172.4-0.6109.9Q32 R36Q32-R34 PolarHBondContact O-N 2.81Å; R34-R36 PolarHBondContact O-N 2.76Å
35A70.7Confident67.8Low98 Ų98147.1 Ų147.181%0.8177%0.767SS**  trans-63.5129.8168.600000109.1S37A35-S37 PolarHBondContact O-N 2.9Å; A35-S37 VanDerWaalsContact O-N 3.15Å
36R70.1Confident68.3Low221 Ų221145.4 Ų145.483%0.83477%0.766SS**  trans-73.5104.4178.7-134.6-178.2-145.5-113.53.8108.4R34 G38R34-R36 PolarHBondContact O-N 2.76Å; R36-G38 PolarHBondContact O-N 3.2Å
37S63.8Low69.2Low131 Ų131147.2 Ų147.292%0.91678%0.775SS**  trans-83.854.1178.263.70000112A35A35-S37 PolarHBondContact O-N 2.9Å; A35-S37 VanDerWaalsContact O-N 3.15Å
38G72.4Confident70Confident39 Ų39148.9 Ų148.940%0.40278%0.779SS.*SBendtrans-135.4164.5177.100000111.3R36 Q40R36-G38 PolarHBondContact O-N 3.2Å; G38-Q40 PolarHBondContact O-N 3.05Å
39P68.4Low70.5Confident135 Ų135146.2 Ų146.288%0.87778%0.776SS**PPolyproline II helixtrans-55.1117.7175.8-20.531.1000109.5
40Q72.3Confident70.9Confident138 Ų138143.9 Ų143.965%0.64578%0.78SS**PPolyproline II helixtrans-64.2133.4176.4-74.5-71.7-42.500108.6G38 R42G38-Q40 PolarHBondContact O-N 3.05Å; Q40-R42 PolarHBondContact O-N 3.21Å
41P74.3Confident71Confident104 Ų104143.1 Ų143.168%0.67578%0.777SS**PPolyproline II helixtrans-52.3129.3168.2-21.631.6000108.7L43P41-L43 PolarHBondContact O-N 3.07Å; P41-L43 VanDerWaalsContact O-N 3.07Å
42R74.4Confident71.2Confident244 Ų244142 Ų14292%0.92177%0.773SS**PPolyproline II helixtrans-61.3117.2178.3-70.7-172.2-178.3-173.11.1108.2Q40Q40-R42 PolarHBondContact O-N 3.21Å
43L72.6Confident71.3Confident157 Ų157140.9 Ų140.982%0.82278%0.778SS**PPolyproline II helixtrans-63.6136.1173.9-64.9172.8000108.4P41P41-L43 PolarHBondContact O-N 3.07Å; P41-L43 VanDerWaalsContact O-N 3.07Å
44P78.7Confident71.1Confident102 Ų102137.7 Ų137.766%0.66278%0.776SS**PPolyproline II helixtrans-59.9144.7173.325-31.8000109.6C46P44-C46 PolarHBondContact O-N 2.85Å
45P73.6Confident70.5Confident112 Ų112130.7 Ų130.773%0.72776%0.763SS**PPolyproline II helixtrans-59.3125.1177.422.7-30.9000109.6L47P45-L47 PolarHBondContact O-N 2.74Å; P45-L47 VanDerWaalsContact O-N 3.07Å
46C68.1Low70Confident122 Ų122131.3 Ų131.382%0.82476%0.759SS**  trans-65.2108.3175.4-58.20000108.7P44 L48P44-C46 PolarHBondContact O-N 2.85Å; C46-L48 PolarHBondContact O-N 2.72Å
47L72.6Confident68.9Low166 Ų166128.3 Ų128.387%0.86976%0.759SS**  trans-83.86.3176-64.6177.2000113.2P45P45-L47 PolarHBondContact O-N 2.74Å; P45-L47 VanDerWaalsContact O-N 3.07Å
48L73.9Confident68.3Low151 Ų151131.5 Ų131.579%0.79175%0.751SS**SBendtrans-82.4128.3179-72.5168.9000109.6C46 L50C46-L48 PolarHBondContact O-N 2.72Å; L48-L50 PolarHBondContact O-N 2.95Å
49P72.7Confident67.1Low112 Ų112133.8 Ų133.873%0.72777%0.766SS**  trans-53.9134.3167.4-19.330.1000109S51P49-S51 PolarHBondContact O-N 3.36Å
50L68.9Low66.3Low174 Ų174131 Ų13191%0.91175%0.747SS**  trans-58.2108.4169.2-76.5157.5000107.3L48L48-L50 PolarHBondContact O-N 2.95Å
51S67.2Low65.3Low104 Ų104128.6 Ų128.673%0.72775%0.751SS**PPolyproline II helixtrans-52.7129.6165.7-45.60000106.9P49P49-S51 PolarHBondContact O-N 3.36Å
52P73Confident64.3Low110 Ų110128.9 Ų128.971%0.71475%0.75SS**PPolyproline II helixtrans-54.8139.3173.723.3-31.5000107.8T54P52-T54 PolarHBondContact O-N 3.46Å; P52-T54 VanDerWaalsContact O-N 3.13Å
53P69.4Low63.6Low121 Ų121119.7 Ų119.779%0.78673%0.727SS**PPolyproline II helixtrans-53.3128.7173.823.2-31.7000107.2A55P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 2.84Å
54T63.8Low63.2Low142 Ų142118.1 Ų118.187%0.87172%0.723SS**  trans-56102.5171-52.60000106.2P52P52-T54 PolarHBondContact O-N 3.46Å; P52-T54 VanDerWaalsContact O-N 3.13Å
55A59.9Low63.2Low62 Ų62116.3 Ų116.351%0.51272%0.717SS.*  trans-56.3132173.100000106P53 D57P53-A55 VanDerWaalsContact C-N 3.3Å; P53-A55 PolarHBondContact O-N 2.84Å; A55-D57 PolarHBondContact O-N 3.31Å
56P59.9Low63.9Low111 Ų111113.9 Ų113.972%0.72170%0.703SS**  trans-51.6134.3169.523.9-31.9000106.8R58P56-R58 VanDerWaalsContact C-N 3.34Å; P56-R58 PolarHBondContact O-N 2.75Å
57D47.6Very low65Low157 Ų157116.8 Ų116.884%0.8470%0.696SS**  trans-43.4101.2-176.1-174.112.4000108.9A55 A59A55-D57 PolarHBondContact O-N 3.31Å; D57-A59 PolarHBondContact O-N 3.37Å
58R51.7Low65.8Low198 Ų198111.9 Ų111.975%0.74767%0.671SS**  trans-80.567.2-177-100.1-168.6-171.1-167.53.4105.5P56 T60P56-R58 VanDerWaalsContact C-N 3.34Å; P56-R58 PolarHBondContact O-N 2.75Å; R58-T60 VanDerWaalsContact CB-OG1 3.28Å; R58-T60 WeakPolarHBondContact CB-OG1 3.47Å; R58-T60 PolarHBondContact O-N 3.24Å; R58-T60 PolarHBondContact O-OG1 3.44Å
59A46.9Very low66.7Low87 Ų87107.2 Ų107.272%0.71966%0.659SS**  trans-58.276.1134.400000105.6D57 A61D57-A59 PolarHBondContact O-N 3.37Å; A59-A61 PolarHBondContact O-N 3.06Å
60T50.8Low67.7Low78 Ų78104.2 Ų104.248%0.47964%0.64SS.*  trans-69.682.1175.9-53.70000103.3R58 V62R58-T60 VanDerWaalsContact CB-OG1 3.28Å; R58-T60 WeakPolarHBondContact CB-OG1 3.47Å; R58-T60 PolarHBondContact O-N 3.24Å; R58-T60 PolarHBondContact O-OG1 3.44Å; T60-V62 HydrophobicContact CG2-CG2 3.89Å; T60-V62 PolarHBondContact O-N 3.31Å
61A51Low68.9Low87 Ų8797.2 Ų97.272%0.71960%0.601SS**  trans-50.7100.5139.500000102.7A59 A63A59-A61 PolarHBondContact O-N 3.06Å; A61-A63 PolarHBondContact O-N 3.26Å
62V54Low70.3Confident110 Ų11094 Ų9467%0.66758%0.577SS**  trans-57.598.7173.31720000102.7T60 T64T60-V62 HydrophobicContact CG2-CG2 3.89Å; T60-V62 PolarHBondContact O-N 3.31Å; V62-T64 VanDerWaalsContact C-N 3.34Å; V62-T64 PolarHBondContact O-N 3.38Å
63A58.4Low71.3Confident51 Ų5189.4 Ų89.442%0.42155%0.546SS..  trans-47.4108.3172.100000104.8A61 A65 E75A61-A63 PolarHBondContact O-N 3.26Å; A63-A65 PolarHBondContact O-N 3.42Å; A63-E75 WeakPolarHBondContact CA-OE1 3.46Å; A63-E75 HydrophobicContact CB-CG 4.19Å; A63-E75 WeakPolarHBondContact CB-OE1 3.15Å
64T65.9Low72.3Confident123 Ų12387 Ų8776%0.75553%0.527SS*.  trans-77.477.6-170.735.30000106.2V62 S66V62-T64 VanDerWaalsContact C-N 3.34Å; V62-T64 PolarHBondContact O-N 3.38Å; T64-S66 PolarHBondContact O-N 2.92Å
65A77.4Confident73.5Confident64 Ų6485 Ų8553%0.52951%0.507SS..  trans-63.8113.1179.400000107.6A63 V72 L73A63-A65 PolarHBondContact O-N 3.42Å; A65-V72 HydrophobicContact CB-CG1 4.01Å; A65-L73 VanDerWaalsContact CA-O 3.26Å; A65-L73 WeakPolarHBondContact CA-O 3.41Å
66S89.1Confident74.8Confident62 Ų6285 Ų8543%0.43450%0.503SS..EExtended strand (participates in β ladder)trans-97.8138.1-179.8-1770000109.3T64 L73T64-S66 PolarHBondContact O-N 2.92Å; S66-L73 PolarHBondContact N-O 2.8Å; S66-L73 WeakPolarHBondContact O-CB 3.45Å; S66-L73 PolarHBondContact O-N 3.04Å
67R90.6Very high76.1Confident182 Ų18283.5 Ų83.569%0.68749%0.486SS*.EExtended strand (participates in β ladder)trans-103.8125.3-178.6-171.3176.8172.7-164.8-0.5110.9G69 Y71 V72R67-G69 PolarHBondContact NE-O 3.11Å; R67-G69 PolarHBondContact NH2-O 3.27Å; R67-Y71 CarbonylContact C-O 3.59Å; R67-Y71 WeakPolarHBondContact CA-O 3.46Å; R67-Y71 WeakPolarHBondContact CG-O 3.36Å; R67-V72 HydrophobicContact CG-CG2 4.48Å
68L90.3Very high77.6Confident64 Ų6486 Ų8634%0.33549%0.492SS..EExtended strand (participates in β ladder)trans-117.692.4175-63.7-178.3000109.1P70 Y71 L73 L127L68-P70 WeakPolarHBondContact O-CD 3.37Å; L68-P70 VanDerWaalsContact O-N 3.16Å; L68-Y71 PolarHBondContact N-O 3.3Å; L68-Y71 WeakPolarHBondContact O-CB 3.37Å; L68-Y71 PolarHBondContact O-N 3.06Å; L68-L73 HydrophobicContact CD1-CD1 3.51Å; L68-L73 HydrophobicContact CD1-CD2 4.21Å; L68-L73 HydrophobicContact CD1-CG 3.89Å; L68-L73 HydrophobicContact CG-CD1 4.05Å; L68-L73 HydrophobicContact CG-CG 4.22Å; L68-L127 HydrophobicContact CB-CD1 4.29Å
69G91.2Very high78.7Confident53 Ų5380 Ų8055%0.54649%0.492SS..THydrogen-bonded Turntrans56.6-118-176.200000112.1R67 Y71R67-G69 PolarHBondContact NE-O 3.11Å; R67-G69 PolarHBondContact NH2-O 3.27Å; G69-Y71 VanDerWaalsContact C-N 3.28Å
70P94Very high80.5Confident48 Ų4877.8 Ų77.831%0.31248%0.478SS..THydrogen-bonded Turntrans-83.10.7177.236.1-35.1000113.8L68 C88 P89L68-P70 WeakPolarHBondContact O-CD 3.37Å; L68-P70 VanDerWaalsContact O-N 3.16Å; P70-C88 PolarHBondContact O-N 3.4Å; P70-P89 HydrophobicContact CB-CG 4.21Å
71Y95.5Very high82.3Confident28 Ų2880.4 Ų80.411%0.1148%0.479CS..EExtended strand (participates in β ladder)trans-103.5142.3-179.3-59-86.4000112R67 L68 G69 L86 H87 Y94 E125 L127R67-Y71 CarbonylContact C-O 3.59Å; R67-Y71 WeakPolarHBondContact CA-O 3.46Å; R67-Y71 WeakPolarHBondContact CG-O 3.36Å; L68-Y71 PolarHBondContact N-O 3.3Å; L68-Y71 WeakPolarHBondContact O-CB 3.37Å; L68-Y71 PolarHBondContact O-N 3.06Å; G69-Y71 VanDerWaalsContact C-N 3.28Å; Y71-L86 CarbonylContact C-O 3.6Å; Y71-L86 VanDerWaalsContact CA-O 3.32Å; Y71-L86 WeakPolarHBondContact CA-O 3.49Å; Y71-H87 HydrophobicContact CD1-CB 3.84Å; Y71-H87 HydrophobicContact CE1-CB 3.58Å; Y71-H87 AromaticContact CE1-CD2 3.53Å; Y71-H87 AromaticContact CE1-CG 3.83Å; Y71-H87 AromaticContact CZ-CD2 3.5Å; Y71-H87 VanDerWaalsContact CZ-CD2 3.5Å; Y71-Y94 HydrophobicContact CD1-CD2 4.32Å; Y71-Y94 AromaticContact CE1-CD2 3.75Å; Y71-Y94 HydrophobicContact CE1-CD2 3.75Å; Y71-Y94 AromaticContact CE1-CE2 3.86Å; Y71-Y94 HydrophobicContact CE1-CE2 3.86Å; Y71-E125 WeakPolarHBondContact CE2-OE2 3.4Å; Y71-E125 PolarHBondContact OH-OE2 3.13Å; Y71-L127 HydrophobicContact CD2-CD1 4.27Å
72V95.3Very high84.4Confident36 Ų3677.1 Ų77.122%0.21845%0.452CS..EExtended strand (participates in β ladder)trans-110.2118.9166.4174.60000108.1A65 R67 L74 A85 L86A65-V72 HydrophobicContact CB-CG1 4.01Å; R67-V72 HydrophobicContact CG-CG2 4.48Å; V72-L74 HydrophobicContact CG1-CD2 4.18Å; V72-A85 CarbonylContact O-C 3.51Å; V72-A85 WeakPolarHBondContact O-CA 3.41Å; V72-L86 PolarHBondContact N-O 3.47Å; V72-L86 PolarHBondContact O-N 3.21Å
73L94Very high86.3Confident13 Ų1374.9 Ų74.97%0.06843%0.432CS..EExtended strand (participates in β ladder)trans-78.8127.3170.1-61.4-174.5000109.3A65 S66 L68 Y83 Q84 A85 C96A65-L73 VanDerWaalsContact CA-O 3.26Å; A65-L73 WeakPolarHBondContact CA-O 3.41Å; S66-L73 PolarHBondContact N-O 2.8Å; S66-L73 WeakPolarHBondContact O-CB 3.45Å; S66-L73 PolarHBondContact O-N 3.04Å; L68-L73 HydrophobicContact CD1-CD1 3.51Å; L68-L73 HydrophobicContact CD1-CD2 4.21Å; L68-L73 HydrophobicContact CD1-CG 3.89Å; L68-L73 HydrophobicContact CG-CD1 4.05Å; L68-L73 HydrophobicContact CG-CG 4.22Å; L73-Y83 HydrophobicContact CD1-CG 4.46Å; L73-Q84 WeakPolarHBondContact CA-O 3.32Å; L73-A85 HydrophobicContact CD2-CB 3.75Å; L73-C96 HydrophobicContact CD2-CB 3.55Å
74L91.2Very high88Confident71 Ų7177.1 Ų77.137%0.37243%0.433SS..EExtended strand (participates in β ladder)trans-93.9-160.5174.3-54.2178.6000109.5V72 Y83 Q84V72-L74 HydrophobicContact CG1-CD2 4.18Å; L74-Y83 WeakPolarHBondContact O-CD1 3.46Å; L74-Q84 HydrophobicContact CB-CB 4.18Å; L74-Q84 HydrophobicContact CD1-CB 4.14Å; L74-Q84 PolarHBondContact N-O 2.92Å
75E87.8Confident89.4Confident100 Ų10071.4 Ų71.447%0.46740%0.399SS..EExtended strand (participates in β ladder)trans-58142.6-179.8-67-58.2110.200112.3A63A63-E75 WeakPolarHBondContact CA-OE1 3.46Å; A63-E75 HydrophobicContact CB-CG 4.19Å; A63-E75 WeakPolarHBondContact CB-OE1 3.15Å
76P88.9Confident90.3Very high63 Ų6371.2 Ų71.241%0.40939%0.388SS..EExtended strand (participates in β ladder)trans-64.4141.3172.725.4-31000111A82 Y83P76-A82 CarbonylContact C-O 3.59Å; P76-A82 WeakPolarHBondContact CA-O 3.43Å; P76-Y83 HydrophobicContact CB-CD1 3.92Å; P76-Y83 HydrophobicContact CB-CE1 3.63Å; P76-Y83 HydrophobicContact CG-CE1 4.19Å
77E87.4Confident90.6Very high78 Ų7869.6 Ų69.636%0.36437%0.374SS..PPolyproline II helixtrans-72.4166168.2-60.9-173.2159.500111G79 G80 A82E77-G79 PolarHBondContact O-N 2.78Å; E77-G79 VanDerWaalsContact O-N 3.1Å; E77-G80 PolarHBondContact O-N 3.25Å; E77-A82 HydrophobicContact CB-CB 4.14Å; E77-A82 HydrophobicContact CG-CB 4.41Å; E77-A82 PolarHBondContact N-O 2.92Å
78E77.4Confident90.8Very high209 Ų20964.3 Ų64.398%0.97736%0.364SS*.THydrogen-bonded Turntrans-54.2117.6177.7-168.1166.2-140.300110.6
79G76Confident91.1Very high73 Ų7365.9 Ų65.975%0.75338%0.378SS*.THydrogen-bonded Turntrans107.6-4.8-173.400000115.5E77 R81E77-G79 PolarHBondContact O-N 2.78Å; E77-G79 VanDerWaalsContact O-N 3.1Å; G79-R81 VanDerWaalsContact C-N 3.27Å; G79-R81 PolarHBondContact O-N 3.28Å; G79-R81 VanDerWaalsContact O-N 3.09Å
80G84.6Confident91.4Very high40 Ų4067.5 Ų67.541%0.41238%0.378SS..SBendtrans73.42.2158.100000117.4E77 Y83E77-G80 PolarHBondContact O-N 3.25Å; G80-Y83 PolarHBondContact O-OH 3.11Å
81R88.9Confident91.4Very high134 Ų13467.5 Ų67.551%0.50639%0.386SS..SBendtrans-115.6-13.8178-62-175.7-176.8-156.30113.9G79 K97 V98 E103G79-R81 VanDerWaalsContact C-N 3.27Å; G79-R81 PolarHBondContact O-N 3.28Å; G79-R81 VanDerWaalsContact O-N 3.09Å; R81-K97 WeakPolarHBondContact O-CA 3.3Å; R81-V98 PolarHBondContact O-N 3.03Å; R81-E103 IonicContact NH1-OE2 3.63Å
82A93.8Very high91.5Very high17 Ų1768.9 Ų68.914%0.1440%0.398CS..EExtended strand (participates in β ladder)trans-104.4139.1175.500000108.6P76 E77 T95 C96 K97P76-A82 CarbonylContact C-O 3.59Å; P76-A82 WeakPolarHBondContact CA-O 3.43Å; E77-A82 HydrophobicContact CB-CB 4.14Å; E77-A82 HydrophobicContact CG-CB 4.41Å; E77-A82 PolarHBondContact N-O 2.92Å; A82-T95 HydrophobicContact CB-CG2 4.27Å; A82-C96 CarbonylContact C-O 3.54Å; A82-C96 WeakPolarHBondContact CA-O 3.31Å; A82-K97 HydrophobicContact CB-CG 4.32Å
83Y94Very high91.5Very high63 Ų6374.4 Ų74.425%0.24742%0.421CS..EExtended strand (participates in β ladder)trans-133.9143.7-178.2-63.2-97.3000108.2L73 L74 P76 G80 T95 C96 V98L73-Y83 HydrophobicContact CD1-CG 4.46Å; L74-Y83 WeakPolarHBondContact O-CD1 3.46Å; P76-Y83 HydrophobicContact CB-CD1 3.92Å; P76-Y83 HydrophobicContact CB-CE1 3.63Å; P76-Y83 HydrophobicContact CG-CE1 4.19Å; G80-Y83 PolarHBondContact O-OH 3.11Å; Y83-T95 CarbonylContact O-C 3.52Å; Y83-C96 PolarHBondContact N-O 3.27Å; Y83-C96 PolarHBondContact O-N 3.31Å; Y83-V98 HydrophobicContact CD2-CG2 3.87Å; Y83-V98 HydrophobicContact CE2-CB 4.28Å; Y83-V98 HydrophobicContact CE2-CG2 3.83Å
84Q94.8Very high91.6Very high98 Ų9877.3 Ų77.346%0.45843%0.432SS..EExtended strand (participates in β ladder)trans-72.5134.6163.2-67.8-174.3-19.900109L73 L74L73-Q84 WeakPolarHBondContact CA-O 3.32Å; L74-Q84 HydrophobicContact CB-CB 4.18Å; L74-Q84 HydrophobicContact CD1-CB 4.14Å; L74-Q84 PolarHBondContact N-O 2.92Å
85A95.4Very high91.8Very high4 Ų478 Ų783%0.03344%0.439CS..EExtended strand (participates in β ladder)trans-128.1123.4-176.400000110.3V72 L73 E93 Y94 C96V72-A85 CarbonylContact O-C 3.51Å; V72-A85 WeakPolarHBondContact O-CA 3.41Å; L73-A85 HydrophobicContact CD2-CB 3.75Å; A85-E93 CarbonylContact O-C 3.58Å; A85-E93 WeakPolarHBondContact O-CA 3.33Å; A85-Y94 PolarHBondContact N-O 3.13Å; A85-Y94 PolarHBondContact O-N 2.8Å; A85-C96 HydrophobicContact CB-CB 3.87Å
86L95.9Very high92.1Very high59 Ų5974.9 Ų74.931%0.30943%0.427SS..EExtended strand (participates in β ladder)trans-99.9122176-177.567.7000110Y71 V72 C88 G91 E93Y71-L86 CarbonylContact C-O 3.6Å; Y71-L86 VanDerWaalsContact CA-O 3.32Å; Y71-L86 WeakPolarHBondContact CA-O 3.49Å; V72-L86 PolarHBondContact N-O 3.47Å; V72-L86 PolarHBondContact O-N 3.21Å; L86-C88 PolarHBondContact O-N 3.49Å; L86-G91 WeakPolarHBondContact CD1-O 3.5Å; L86-E93 HydrophobicContact CD1-CG 4Å
87H96.3Very high92.4Very high29 Ų2977.6 Ų77.613%0.13443%0.433CS..EExtended strand (participates in β ladder)trans-79106170.1-174.8-116.1000109.9Y71 T90 G91 T92 Y94Y71-H87 HydrophobicContact CD1-CB 3.84Å; Y71-H87 HydrophobicContact CE1-CB 3.58Å; Y71-H87 AromaticContact CE1-CD2 3.53Å; Y71-H87 AromaticContact CE1-CG 3.83Å; Y71-H87 AromaticContact CZ-CD2 3.5Å; Y71-H87 VanDerWaalsContact CZ-CD2 3.5Å; H87-T90 WeakPolarHBondContact ND1-CG2 2.88Å; H87-T90 PolarHBondContact ND1-OG1 3.07Å; H87-T90 PolarHBondContact O-N 2.78Å; H87-G91 WeakPolarHBondContact O-CA 3.26Å; H87-G91 PolarHBondContact O-N 2.75Å; H87-T92 WeakPolarHBondContact CB-O 3.49Å; H87-T92 PolarHBondContact N-O 2.75Å; H87-Y94 HydrophobicContact CB-CD2 4.29Å; H87-Y94 HydrophobicContact CB-CE2 3.83Å
88C94.8Very high92.7Very high70 Ų7077 Ų7747%0.47343%0.434SS..THydrogen-bonded Turntrans-57.5-41.4-171.5-57.20000114.4P70 L86 T90P70-C88 PolarHBondContact O-N 3.4Å; L86-C88 PolarHBondContact O-N 3.49Å; C88-T90 PolarHBondContact O-N 3.13Å
89P96.1Very high93.4Very high98 Ų9871.1 Ų71.164%0.63640%0.404SS*.THydrogen-bonded Turntrans-66.2-33.8-178.1-23.634.2000114.5P70P70-P89 HydrophobicContact CB-CG 4.21Å
90T96.6Very high94.2Very high87 Ų8770.3 Ų70.353%0.53439%0.385SS..THydrogen-bonded Turntrans-109.3-11.8-174.764.60000113.6H87 C88 T92H87-T90 WeakPolarHBondContact ND1-CG2 2.88Å; H87-T90 PolarHBondContact ND1-OG1 3.07Å; H87-T90 PolarHBondContact O-N 2.78Å; C88-T90 PolarHBondContact O-N 3.13Å; T90-T92 WeakPolarHBondContact CB-OG1 2.95Å; T90-T92 PolarHBondContact O-N 2.72Å; T90-T92 WeakPolarHBondContact OG1-CB 3.28Å; T90-T92 PolarHBondContact OG1-N 2.84Å; T90-T92 PolarHBondContact OG1-OG1 3.22Å
91G95.5Very high94.5Very high47 Ų4773.4 Ų73.449%0.48540%0.396SS..THydrogen-bonded Turntrans66.314.5-171.500000113.8L86 H87L86-G91 WeakPolarHBondContact CD1-O 3.5Å; H87-G91 WeakPolarHBondContact O-CA 3.26Å; H87-G91 PolarHBondContact O-N 2.75Å
92T96.7Very high94.8Very high58 Ų5875.1 Ų75.136%0.35641%0.41SS..EExtended strand (participates in β ladder)trans-80132.1-178.3-49.80000110.4H87 T90 Y94H87-T92 WeakPolarHBondContact CB-O 3.49Å; H87-T92 PolarHBondContact N-O 2.75Å; T90-T92 WeakPolarHBondContact CB-OG1 2.95Å; T90-T92 PolarHBondContact O-N 2.72Å; T90-T92 WeakPolarHBondContact OG1-CB 3.28Å; T90-T92 PolarHBondContact OG1-N 2.84Å; T90-T92 PolarHBondContact OG1-OG1 3.22Å; T92-Y94 HydrophobicContact CG2-CD2 4.36Å; T92-Y94 HydrophobicContact CG2-CE1 4.34Å; T92-Y94 HydrophobicContact CG2-CE2 3.64Å; T92-Y94 WeakPolarHBondContact O-CD2 3.45Å
93E95.6Very high94.8Very high151 Ų15177.9 Ų77.971%0.70642%0.42SS*.EExtended strand (participates in β ladder)trans-89.4141176-66.5177.5-176.600111.2A85 L86A85-E93 CarbonylContact O-C 3.58Å; A85-E93 WeakPolarHBondContact O-CA 3.33Å; L86-E93 HydrophobicContact CD1-CG 4Å
94Y95.7Very high94.7Very high75 Ų7576.5 Ų76.529%0.29442%0.421SS..EExtended strand (participates in β ladder)trans-135.4158.8178.1-63.5-86.8000110Y71 A85 H87 T92 T124Y71-Y94 HydrophobicContact CD1-CD2 4.32Å; Y71-Y94 AromaticContact CE1-CD2 3.75Å; Y71-Y94 HydrophobicContact CE1-CD2 3.75Å; Y71-Y94 AromaticContact CE1-CE2 3.86Å; Y71-Y94 HydrophobicContact CE1-CE2 3.86Å; A85-Y94 PolarHBondContact N-O 3.13Å; A85-Y94 PolarHBondContact O-N 2.8Å; H87-Y94 HydrophobicContact CB-CD2 4.29Å; H87-Y94 HydrophobicContact CB-CE2 3.83Å; T92-Y94 HydrophobicContact CG2-CD2 4.36Å; T92-Y94 HydrophobicContact CG2-CE1 4.34Å; T92-Y94 HydrophobicContact CG2-CE2 3.64Å; T92-Y94 WeakPolarHBondContact O-CD2 3.45Å; Y94-T124 HydrophobicContact CE1-CG2 4.23Å
95T95.2Very high94.7Very high86 Ų8678.9 Ų78.953%0.52844%0.437SS..EExtended strand (participates in β ladder)trans-95.8114.6163.8-53.30000108.5A82 Y83A82-T95 HydrophobicContact CB-CG2 4.27Å; Y83-T95 CarbonylContact O-C 3.52Å
96C94.8Very high94.8Very high33 Ų3382.3 Ų82.322%0.22347%0.465CS..EExtended strand (participates in β ladder)trans-92.4125.7173.7-177.50000109.7L73 A82 Y83 A85L73-C96 HydrophobicContact CD2-CB 3.55Å; A82-C96 CarbonylContact C-O 3.54Å; A82-C96 WeakPolarHBondContact CA-O 3.31Å; Y83-C96 PolarHBondContact N-O 3.27Å; Y83-C96 PolarHBondContact O-N 3.31Å; A85-C96 HydrophobicContact CB-CB 3.87Å
97K94.9Very high94.7Very high120 Ų12081.5 Ų81.552%0.52246%0.463SS..EExtended strand (participates in β ladder)trans-109.1122.3172.3-64.2-174.5178.2-177.50109.6R81 A82 Y99R81-K97 WeakPolarHBondContact O-CA 3.3Å; A82-K97 HydrophobicContact CB-CG 4.32Å; K97-Y99 HydrophobicContact CB-CD2 4.3Å; K97-Y99 HydrophobicContact CB-CE2 3.51Å; K97-Y99 HydrophobicContact CD-CE2 4.44Å
98V93.2Very high94.7Very high66 Ų6682.9 Ų82.940%0.447%0.471SS..  trans-100.7128.1-176.9-1760000109.5R81 Y83R81-V98 PolarHBondContact O-N 3.03Å; Y83-V98 HydrophobicContact CD2-CG2 3.87Å; Y83-V98 HydrophobicContact CE2-CB 4.28Å; Y83-V98 HydrophobicContact CE2-CG2 3.83Å
99Y93.4Very high94.8Very high85 Ų8583.6 Ų83.633%0.33347%0.467SS..  trans-129.9149.8178.5-64.9-87.2000110.4K97 V107K97-Y99 HydrophobicContact CB-CD2 4.3Å; K97-Y99 HydrophobicContact CB-CE2 3.51Å; K97-Y99 HydrophobicContact CD-CE2 4.44Å; Y99-V107 HydrophobicContact CD1-CG2 3.74Å; Y99-V107 HydrophobicContact CD2-CG1 4.14Å; Y99-V107 HydrophobicContact CD2-CG2 4.35Å; Y99-V107 HydrophobicContact CE1-CG1 4.47Å; Y99-V107 HydrophobicContact CE1-CG2 3.8Å; Y99-V107 HydrophobicContact CE2-CG1 3.76Å; Y99-V107 HydrophobicContact CE2-CG2 4.38Å; Y99-V107 HydrophobicContact CG-CG2 4.04Å
100P92.9Very high94.8Very high56 Ų5681.7 Ų81.736%0.36446%0.455SS..  trans-55.7144164.6-21.733.3000110.8Q102 E103 A104P100-Q102 PolarHBondContact O-N 3.08Å; P100-Q102 VanDerWaalsContact O-N 3.11Å; P100-E103 HydrophobicContact CB-CG 4.48Å; P100-E103 PolarHBondContact O-N 2.8Å; P100-A104 PolarHBondContact O-N 3.07Å
101V90.9Very high94.7Very high106 Ų10681 Ų8164%0.64244%0.443SS*.G310 helixtrans-57-32.9-177.6175.90000111.8E103 A104V101-E103 PolarHBondContact O-N 3.28Å; V101-A104 WeakPolarHBondContact O-CB 3.47Å; V101-A104 PolarHBondContact O-N 3.07Å
102Q93.9Very high94.6Very high169 Ų16982.7 Ų82.779%0.7945%0.452SS*.G310 helixtrans-63.6-26.8178.2-5980.90.100112.8P100P100-Q102 PolarHBondContact O-N 3.08Å; P100-Q102 VanDerWaalsContact O-N 3.11Å
103E94.9Very high94.6Very high75 Ų7588.8 Ų88.835%0.3547%0.468SS..G310 helixtrans-91.6-12.6-179.8-64177.3-154.900112.6R81 P100 V101 L105 A106 V107R81-E103 IonicContact NH1-OE2 3.63Å; P100-E103 HydrophobicContact CB-CG 4.48Å; P100-E103 PolarHBondContact O-N 2.8Å; V101-E103 PolarHBondContact O-N 3.28Å; E103-L105 PolarHBondContact O-N 3.09Å; E103-A106 PolarHBondContact O-N 3.43Å; E103-A106 VanDerWaalsContact O-N 3.11Å; E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.08Å
104A92Very high94.5Very high34 Ų3485.7 Ų85.728%0.28146%0.456SS..Hα-helixtrans-57.1-45.3-168.600000113.3P100 V101 V107 L108P100-A104 PolarHBondContact O-N 3.07Å; V101-A104 WeakPolarHBondContact O-CB 3.47Å; V101-A104 PolarHBondContact O-N 3.07Å; A104-V107 PolarHBondContact O-N 2.77Å; A104-L108 WeakPolarHBondContact O-CB 3.36Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 3.06Å
105L94.3Very high94.5Very high149 Ų14986.8 Ų86.878%0.7847%0.473SS*.Hα-helixtrans-64.4-43.2179-69.4-179.5000111.8E103 V107 L108 E109E103-L105 PolarHBondContact O-N 3.09Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 2.94Å; L105-L108 PolarHBondContact O-N 3.1Å; L105-E109 VanDerWaalsContact O-CB 3.31Å; L105-E109 WeakPolarHBondContact O-CB 3.33Å; L105-E109 PolarHBondContact O-N 3.15Å
106A96.6Very high94.4Very high76 Ų7687.7 Ų87.763%0.62848%0.48SS*.Hα-helixtrans-64.8-36.2-179.600000112E103 P110E103-A106 PolarHBondContact O-N 3.43Å; E103-A106 VanDerWaalsContact O-N 3.11Å; A106-P110 WeakPolarHBondContact O-CD 3.46Å
107V95.2Very high94.5Very high42 Ų4291 Ų9126%0.25549%0.492SS..Hα-helixtrans-71.6-36.4177.2174.10000112Y99 E103 A104 L105 Y111Y99-V107 HydrophobicContact CD1-CG2 3.74Å; Y99-V107 HydrophobicContact CD2-CG1 4.14Å; Y99-V107 HydrophobicContact CD2-CG2 4.35Å; Y99-V107 HydrophobicContact CE1-CG1 4.47Å; Y99-V107 HydrophobicContact CE1-CG2 3.8Å; Y99-V107 HydrophobicContact CE2-CG1 3.76Å; Y99-V107 HydrophobicContact CE2-CG2 4.38Å; Y99-V107 HydrophobicContact CG-CG2 4.04Å; E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.08Å; A104-V107 PolarHBondContact O-N 2.77Å; L105-V107 VanDerWaalsContact C-N 3.3Å; L105-V107 PolarHBondContact O-N 2.94Å; V107-Y111 WeakPolarHBondContact O-CD2 3.27Å; V107-Y111 WeakPolarHBondContact O-CE2 3.42Å
108L95.3Very high94.6Very high58 Ų5893.7 Ų93.730%0.30450%0.504SS..Hα-helixtrans-86.4-26-175.7-67.6173.3000113.9A104 L105 P110 Y111 A112 P123 V126A104-L108 WeakPolarHBondContact O-CB 3.36Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 3.06Å; L105-L108 PolarHBondContact O-N 3.1Å; L108-P110 VanDerWaalsContact C-CD 3.49Å; L108-Y111 PolarHBondContact O-N 3.03Å; L108-Y111 VanDerWaalsContact O-N 3.08Å; L108-A112 PolarHBondContact O-N 3.25Å; L108-P123 HydrophobicContact CD2-CG 4.01Å; L108-V126 HydrophobicContact CD1-CG1 3.99Å; L108-V126 HydrophobicContact CD1-CG2 4.06Å; L108-V126 HydrophobicContact CD2-CG2 3.91Å
109E96.6Very high94.7Very high85 Ų8597.6 Ų97.640%0.39752%0.517SS..Hα-helixtrans-52.2-43.5-176.6-173.5-89.6-173.100114.3L105 Y111 A112 R113L105-E109 VanDerWaalsContact O-CB 3.31Å; L105-E109 WeakPolarHBondContact O-CB 3.33Å; L105-E109 PolarHBondContact O-N 3.15Å; E109-Y111 VanDerWaalsContact C-N 3.28Å; E109-Y111 PolarHBondContact O-N 3.24Å; E109-A112 WeakPolarHBondContact O-CB 2.82Å; E109-A112 PolarHBondContact O-N 3.29Å; E109-R113 PolarHBondContact O-N 3.09Å; E109-R113 WeakPolarHBondContact OE1-CD 3.26Å; E109-R113 IonicContact OE1-CZ 2.8Å; E109-R113 IonicContact OE1-NE 3.62Å; E109-R113 IonicContact OE1-NH1 3.58Å; E109-R113 PolarHBondContact OE1-NH1 3.2Å; E109-R113 IonicContact OE2-NH1 3.59Å
110P95.9Very high94.8Very high58 Ų5896.1 Ų96.138%0.37752%0.517SS..Hα-helixtrans-62.2-36.7179.8-25.835.9000112.5A106 L108 A112 R113 L114A106-P110 WeakPolarHBondContact O-CD 3.46Å; L108-P110 VanDerWaalsContact C-CD 3.49Å; P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 3.39Å; P110-R113 PolarHBondContact O-N 3.13Å; P110-L114 VanDerWaalsContact O-CG 3.27Å; P110-L114 WeakPolarHBondContact O-CG 3.43Å; P110-L114 PolarHBondContact O-N 3.41Å; P110-L114 VanDerWaalsContact O-N 3.13Å
111Y95.1Very high94.8Very high73 Ų7397.7 Ų97.729%0.28654%0.535SS..Hα-helixtrans-70.4-27.5178.4-59.5-79.8000112.4V107 L108 E109 A121 R122 P123V107-Y111 WeakPolarHBondContact O-CD2 3.27Å; V107-Y111 WeakPolarHBondContact O-CE2 3.42Å; L108-Y111 PolarHBondContact O-N 3.03Å; L108-Y111 VanDerWaalsContact O-N 3.08Å; E109-Y111 VanDerWaalsContact C-N 3.28Å; E109-Y111 PolarHBondContact O-N 3.24Å; Y111-A121 VanDerWaalsContact CE1-O 3.26Å; Y111-A121 WeakPolarHBondContact CE1-O 3.41Å; Y111-R122 PolarHBondContact O-NH2 3.48Å; Y111-P123 HydrophobicContact CD2-CG 4.33Å; Y111-P123 HydrophobicContact CE2-CG 4.42Å; Y111-P123 HydrophobicContact CG-CG 4.48Å
112A93.3Very high95Very high82 Ų8298.5 Ų98.568%0.67853%0.526SS*.Hα-helixtrans-73.5-31.8176.600000112.3L108 E109 P110L108-A112 PolarHBondContact O-N 3.25Å; E109-A112 WeakPolarHBondContact O-CB 2.82Å; E109-A112 PolarHBondContact O-N 3.29Å; P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 3.39Å
113R96.1Very high95.1Very high185 Ų18593.3 Ų93.370%0.69851%0.507SS*.Hα-helixtrans-83.8-27.8179.7-71.9170.760.4-169.21.1113.8E109 P110E109-R113 PolarHBondContact O-N 3.09Å; E109-R113 WeakPolarHBondContact OE1-CD 3.26Å; E109-R113 IonicContact OE1-CZ 2.8Å; E109-R113 IonicContact OE1-NE 3.62Å; E109-R113 IonicContact OE1-NH1 3.58Å; E109-R113 PolarHBondContact OE1-NH1 3.2Å; E109-R113 IonicContact OE2-NH1 3.59Å; P110-R113 PolarHBondContact O-N 3.13Å
114L94.8Very high95.1Very high87 Ų8795 Ų9546%0.45552%0.523SS..SBendtrans-81.2131.5-179.5-70.2171.8000111P110P110-L114 VanDerWaalsContact O-CG 3.27Å; P110-L114 WeakPolarHBondContact O-CG 3.43Å; P110-L114 PolarHBondContact O-N 3.41Å; P110-L114 VanDerWaalsContact O-N 3.13Å
115P95.5Very high95.2Very high98 Ų9898.4 Ų98.464%0.63653%0.533SS*.PPolyproline II helixtrans-63.7151.2169.927.6-33000110.2H117P115-H117 PolarHBondContact O-N 3.1Å
116P93.9Very high95.2Very high105 Ų10595.7 Ų95.768%0.68252%0.522SS*.PPolyproline II helixtrans-55.3131.3175.3-24.834.3000111.3
117H96.3Very high94.9Very high101 Ų10196.4 Ų96.447%0.46852%0.515SS..  trans-145.7139.9-177.2-170.9-103000111.2P115 H119 V120P115-H117 PolarHBondContact O-N 3.1Å; H117-H119 AromaticContact CE1-CD2 3.52Å; H117-H119 AromaticContact CE1-CG 3.95Å; H117-H119 PolarHBondContact ND1-N 3.05Å; H117-H119 PolarHBondContact O-N 3.36Å; H117-H119 VanDerWaalsContact O-N 3.08Å; H117-V120 HydrophobicContact CB-CB 4.39Å; H117-V120 HydrophobicContact CB-CG2 4.1Å; H117-V120 PolarHBondContact O-N 3.49Å
118K96.5Very high94.6Very high178 Ų17898.5 Ų98.577%0.77454%0.537SS*.THydrogen-bonded Turntrans-61.8-19.3-175.466.6-176.7-179.5-177.70115
119H95.9Very high93.7Very high147 Ų14799.1 Ų99.168%0.68156%0.558SS**THydrogen-bonded Turntrans-105.18.8179.3-58.3-49.5000113.3H117H117-H119 AromaticContact CE1-CD2 3.52Å; H117-H119 AromaticContact CE1-CG 3.95Å; H117-H119 PolarHBondContact ND1-N 3.05Å; H117-H119 PolarHBondContact O-N 3.36Å; H117-H119 VanDerWaalsContact O-N 3.08Å
120V94.9Very high92Very high55 Ų55105.2 Ų105.233%0.33360%0.601SS.*SBendtrans-118.3110176.2-179.30000108.1H117 R122H117-V120 HydrophobicContact CB-CB 4.39Å; H117-V120 HydrophobicContact CB-CG2 4.1Å; H117-V120 PolarHBondContact O-N 3.49Å; V120-R122 PolarHBondContact O-N 3.03Å
121A93.4Very high91.8Very high89 Ų89107.6 Ų107.674%0.73661%0.612SS**  trans-67.1124.8172.100000109.1Y111Y111-A121 VanDerWaalsContact CE1-O 3.26Å; Y111-A121 WeakPolarHBondContact CE1-O 3.41Å
122R94.7Very high91.6Very high122 Ų122109.4 Ų109.446%0.4663%0.629SS.*  trans-105.1149176-61.4-174.394-147.79.5109.7Y111 V120 T124Y111-R122 PolarHBondContact O-NH2 3.48Å; V120-R122 PolarHBondContact O-N 3.03Å; R122-T124 PolarHBondContact O-N 3.01Å
123P95.3Very high91.5Very high60 Ų60110.9 Ų110.939%0.3963%0.627SS.*  trans-57125.6170.6-22.433.1000110.4L108 Y111 V126L108-P123 HydrophobicContact CD2-CG 4.01Å; Y111-P123 HydrophobicContact CD2-CG 4.33Å; Y111-P123 HydrophobicContact CE2-CG 4.42Å; Y111-P123 HydrophobicContact CG-CG 4.48Å; P123-V126 HydrophobicContact CB-CG2 4.26Å
124T94.6Very high91.3Very high112 Ų112106.6 Ų106.669%0.68762%0.622SS**SBendtrans-73.6-38.5174.9-530000111Y94 R122Y94-T124 HydrophobicContact CE1-CG2 4.23Å; R122-T124 PolarHBondContact O-N 3.01Å
125E94.3Very high91Very high104 Ų104107.8 Ų107.849%0.48663%0.633SS.*  trans-146.5149.5-179.4-170.4172.2-166.400109.6Y71 L127Y71-E125 WeakPolarHBondContact CE2-OE2 3.4Å; Y71-E125 PolarHBondContact OH-OE2 3.13Å; E125-L127 HydrophobicContact CG-CD2 3.93Å; E125-L127 HydrophobicContact CG-CG 4.36Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.33Å
126V94.2Very high90.7Very high92 Ų92108.5 Ų108.556%0.55863%0.633SS**  trans-125118173.91790000107.7L108 P123L108-V126 HydrophobicContact CD1-CG1 3.99Å; L108-V126 HydrophobicContact CD1-CG2 4.06Å; L108-V126 HydrophobicContact CD2-CG2 3.91Å; P123-V126 HydrophobicContact CB-CG2 4.26Å
127L91.8Very high90.5Very high91 Ų91108.7 Ų108.748%0.47663%0.629SS.*  trans-104.2124.7179.6-58.4176.9000109.1L68 Y71 E125L68-L127 HydrophobicContact CB-CD1 4.29Å; Y71-L127 HydrophobicContact CD2-CD1 4.27Å; E125-L127 HydrophobicContact CG-CD2 3.93Å; E125-L127 HydrophobicContact CG-CG 4.36Å; E125-L127 WeakPolarHBondContact OE1-CD2 3.33Å
128A87.7Confident90.1Very high87 Ų87109.3 Ų109.372%0.71964%0.641SS**  trans-91.3132.2170.300000109.3T130A128-T130 PolarHBondContact O-N 3.41Å
129G77.3Confident89.5Confident71 Ų71103.6 Ų103.673%0.73263%0.63SS**  trans-65.3126.4170.600000109.9
130T60.4Low89Confident213 Ų21399.6 Ų99.6100%1.30763%0.626SS**  trans-80.90173.854.30000111.6A128A128-T130 PolarHBondContact O-N 3.41Å

Retrieved 130 of 130 residues in 35.2 ms (Link to these results)