A0A087YDD2_POEFO Loading...

Pituitary tumor-transforming gene 1 protein-interacting protein-like

AlphaFold DB , UniProt , Accession A0A087YDD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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
1M45.3Very low56.1Low238 Ų238114.1 Ų114.1100%1.17258%0.583SS**  0-26.60-85170147.100115K3M1-K3 PolarHBondContact O-N 3.45Å
2M51.3Low56.9Low151 Ų151113.8 Ų113.874%0.74458%0.582SS**Hα-helixtrans-70.8-17.7-179.5-90.2144.451.700117.2
3K48Very low57.7Low161 Ų161112.2 Ų112.270%0.758%0.575SS**Hα-helixtrans-73.6-29.2-178.1-68-175.5176.8-179.30113.4M1M1-K3 PolarHBondContact O-N 3.45Å
4G48.7Very low58.2Low30 Ų30112.9 Ų112.931%0.30958%0.579SS.*Hα-helixtrans-64.9-49177.400000111.6R6 I7 F8G4-R6 PolarHBondContact O-N 3.08Å; G4-R6 VanDerWaalsContact O-N 3.13Å; G4-I7 PolarHBondContact O-N 3.09Å; G4-F8 WeakPolarHBondContact O-CB 3.41Å; G4-F8 WeakPolarHBondContact O-CD2 3.34Å; G4-F8 PolarHBondContact O-N 3.25Å
5L53.1Low58.6Low122 Ų122111.8 Ų111.864%0.63958%0.58SS**Hα-helixtrans-58.4-31.9-178-167.163.7000113.1I7 L9L5-I7 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-L9 VanDerWaalsContact O-N 3.16Å
6R57.7Low58.8Low90 Ų90113.9 Ų113.934%0.3458%0.583SS.*Hα-helixtrans-70.5-25.7177.9-68.8-168.6-176.6172.56.4114.6G4 P10 C111 C112G4-R6 PolarHBondContact O-N 3.08Å; G4-R6 VanDerWaalsContact O-N 3.13Å; R6-P10 WeakPolarHBondContact O-CD 3.33Å; R6-P10 VanDerWaalsContact O-CG 3.29Å; R6-P10 WeakPolarHBondContact O-CG 3.22Å; R6-C111 PolarHBondContact NH1-O 3.16Å; R6-C111 PolarHBondContact NH2-O 3.25Å; R6-C112 PolarHBondContact NH1-SG 3.29Å; R6-C112 VanDerWaalsContact NH1-SG 3.35Å
7I59.2Low58.9Low120 Ų120109.1 Ų109.162%0.61557%0.569SS**Hα-helixtrans-97.6-36.2-179.9-60.4168.7000110G4 L5 P10 A11G4-I7 PolarHBondContact O-N 3.09Å; L5-I7 PolarHBondContact O-N 3.46Å; I7-P10 VanDerWaalsContact O-CD 3.3Å; I7-P10 WeakPolarHBondContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; I7-A11 VanDerWaalsContact O-CB 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.29Å; I7-A11 PolarHBondContact O-N 3.02Å
8F58.6Low58.8Low152 Ų152110 Ų11067%0.66757%0.574SS**Hα-helixtrans-67.3-37.1177.9-84.6-76000112.6G4 L12G4-F8 WeakPolarHBondContact O-CB 3.41Å; G4-F8 WeakPolarHBondContact O-CD2 3.34Å; G4-F8 PolarHBondContact O-N 3.25Å; F8-L12 WeakPolarHBondContact O-CB 3.42Å; F8-L12 PolarHBondContact O-N 3.31Å
9L65.6Low58.6Low80 Ų80107.6 Ų107.642%0.41957%0.572SS.*Hα-helixtrans-62.4-51.8179.1-140.791.4000113.9L5 L12 L13 L104L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.33Å; L5-L9 PolarHBondContact O-N 3.04Å; L5-L9 VanDerWaalsContact O-N 3.16Å; L9-L12 PolarHBondContact O-N 3.34Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; L9-L104 HydrophobicContact CD2-CD2 4.38Å
10P63.5Low58.3Low64 Ų64107.1 Ų107.142%0.41657%0.573SS.*Hα-helixtrans-68.7-33.7178.226.2-34.2000112.4R6 I7 L13 L14R6-P10 WeakPolarHBondContact O-CD 3.33Å; R6-P10 VanDerWaalsContact O-CG 3.29Å; R6-P10 WeakPolarHBondContact O-CG 3.22Å; I7-P10 VanDerWaalsContact O-CD 3.3Å; I7-P10 WeakPolarHBondContact O-CD 3.31Å; I7-P10 WeakPolarHBondContact O-CG 3.22Å; P10-L13 PolarHBondContact O-N 3.34Å; P10-L14 WeakPolarHBondContact O-CB 3.44Å; P10-L14 PolarHBondContact O-N 3.41Å
11A66Low58Low47 Ų47107.8 Ų107.839%0.38858%0.581SS.*Hα-helixtrans-65.8-41.8174.600000111.7I7 L14 V15I7-A11 VanDerWaalsContact O-CB 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.29Å; I7-A11 PolarHBondContact O-N 3.02Å; A11-L14 PolarHBondContact O-N 2.87Å; A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.27Å
12L66.2Low57.9Low110 Ų110103.4 Ų103.458%0.57656%0.561SS**Hα-helixtrans-64.6-41.8175.9-166.383.9000111.5F8 L9 V15 F16F8-L12 WeakPolarHBondContact O-CB 3.42Å; F8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 3.3Å; L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.41Å
13L67Low57.6Low94 Ų94100.3 Ų100.349%0.49256%0.56SS.*Hα-helixtrans-66.3-38.3176.4-72.6171.1000112.5L9 P10 G17L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; P10-L13 PolarHBondContact O-N 3.34Å; L13-G17 PolarHBondContact O-N 3.4Å
14L65Low57.4Low121 Ų121101.1 Ų101.163%0.63457%0.566SS**Hα-helixtrans-64.3-42.3173.6-94.9160.1000112P10 A11 G17 L18P10-L14 WeakPolarHBondContact O-CB 3.44Å; P10-L14 PolarHBondContact O-N 3.41Å; A11-L14 PolarHBondContact O-N 2.87Å; L14-G17 PolarHBondContact O-N 3.35Å; L14-L18 PolarHBondContact O-N 2.95Å
15V64Low57.4Low97 Ų97105.2 Ų105.259%0.58859%0.59SS**Hα-helixtrans-66.8-42.4177.2171.50000111.2A11 L12 L18 A19A11-V15 VanDerWaalsContact O-CG2 3.25Å; A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.27Å; L12-V15 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 3.18Å; V15-A19 PolarHBondContact O-N 3.4Å; V15-A19 VanDerWaalsContact O-N 3.13Å
16F61.6Low57.5Low145 Ų145101.6 Ų101.664%0.63658%0.578SS**Hα-helixtrans-65.2-39.7174.9-111.1-92.8000112.3L12 L18 A19 T20L12-F16 WeakPolarHBondContact O-CB 3.35Å; L12-F16 PolarHBondContact O-N 3.41Å; F16-L18 PolarHBondContact O-N 2.88Å; F16-A19 PolarHBondContact O-N 3.3Å; F16-T20 WeakPolarHBondContact O-CG2 3.41Å; F16-T20 PolarHBondContact O-N 2.82Å; F16-T20 VanDerWaalsContact O-N 3.11Å
17G60Low57.2Low33 Ų33102.4 Ų102.434%0.3460%0.595SS.*Hα-helixtrans-60.5-43.3175.500000112.6L13 L14 A19 T20L13-G17 PolarHBondContact O-N 3.4Å; L14-G17 PolarHBondContact O-N 3.35Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 2.92Å; G17-T20 PolarHBondContact O-N 2.99Å; G17-T20 PolarHBondContact O-OG1 2.89Å
18L57.2Low57Low125 Ų125105 Ų10565%0.65460%0.604SS**Hα-helixtrans-63.8-36.7174.7-83.5155.8000112.7L14 V15 F16 T20 V21L14-L18 PolarHBondContact O-N 2.95Å; V15-L18 PolarHBondContact O-N 3.18Å; F16-L18 PolarHBondContact O-N 2.88Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.32Å; L18-V21 PolarHBondContact O-N 3.14Å
19A56.1Low56.9Low65 Ų65105.1 Ų105.154%0.53761%0.607SS.*Hα-helixtrans-67.8-32.517700000112.8V15 F16 G17 V21 L22V15-A19 PolarHBondContact O-N 3.4Å; V15-A19 VanDerWaalsContact O-N 3.13Å; F16-A19 PolarHBondContact O-N 3.3Å; G17-A19 VanDerWaalsContact C-N 3.34Å; G17-A19 PolarHBondContact O-N 2.92Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 3.46Å; A19-L22 PolarHBondContact O-N 2.96Å
20T52.8Low57.2Low96 Ų96104.9 Ų104.959%0.58961%0.608SS**Hα-helixtrans-73.4-19.5178.454.40000114.5F16 G17 L18 L22F16-T20 WeakPolarHBondContact O-CG2 3.41Å; F16-T20 PolarHBondContact O-N 2.82Å; F16-T20 VanDerWaalsContact O-N 3.11Å; G17-T20 PolarHBondContact O-N 2.99Å; G17-T20 PolarHBondContact O-OG1 2.89Å; L18-T20 VanDerWaalsContact C-N 3.34Å; L18-T20 PolarHBondContact O-N 3.32Å; T20-L22 PolarHBondContact O-N 3.37Å
21V50.3Low58.2Low122 Ų122102.1 Ų102.174%0.73959%0.59SS**THydrogen-bonded Turntrans-73.6-15.6178.7175.60000112L18 A19 A23L18-V21 PolarHBondContact O-N 3.14Å; A19-V21 VanDerWaalsContact C-N 3.32Å; A19-V21 PolarHBondContact O-N 3.46Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.75Å
22L44.7Very low59.1Low146 Ų146104 Ų10476%0.76459%0.591SS**THydrogen-bonded Turntrans-91.618.5178.2-65.2172.3000113.8A19 T20 E24A19-L22 PolarHBondContact O-N 2.96Å; T20-L22 PolarHBondContact O-N 3.37Å; L22-E24 PolarHBondContact O-N 3.15Å
23A43.9Very low60Low86 Ų86103.4 Ų103.471%0.71159%0.592SS**  trans-67.1101.4175.800000110.7V21 S25V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.75Å; A23-S25 PolarHBondContact O-N 3.01Å
24E45Very low60.8Low178 Ų178103.2 Ų103.283%0.83259%0.587SS**  trans-38.8118.9175-161.8105.2166.900112.9L22 A26L22-E24 PolarHBondContact O-N 3.15Å; E24-A26 PolarHBondContact O-N 3.49Å; E24-A26 VanDerWaalsContact O-N 3.14Å
25S48.3Very low61.9Low116 Ų116100.9 Ų100.981%0.81158%0.575SS**  trans-72.3101.716953.40000109.4A23A23-S25 PolarHBondContact O-N 3.01Å
26A54.9Low62.8Low47 Ų4799.1 Ų99.139%0.38858%0.577SS.*PPolyproline II helixtrans-67.1146.8172.600000111.4E24E24-A26 PolarHBondContact O-N 3.49Å; E24-A26 VanDerWaalsContact O-N 3.14Å
27P51.8Low64.1Low106 Ų10694.8 Ų94.869%0.68856%0.563SS**PPolyproline II helixtrans-69.8146.7-162.829-35.2000113.1
28E54Low65.5Low175 Ų17595.3 Ų95.382%0.81856%0.561SS**THydrogen-bonded Turntrans-53.9139.5174.6-61.6-170.7138.700110.9
29H56.5Low67.1Low155 Ų15589.9 Ų89.972%0.71853%0.533SS*.THydrogen-bonded Turntrans99.14.9167-72.6-78.8000123
30V72.7Confident68.7Low74 Ų7492.4 Ų92.445%0.44853%0.534SS..SBendtrans-93.8-25.1-176.1-167.70000115.3T33V30-T33 PolarHBondContact O-OG1 2.93Å
31C83.5Confident70.4Confident7 Ų791 Ų915%0.04752%0.523CS..G310 helixtrans-67.2-45.3-171.8-540000113.7T33 K34 C48 C57C31-T33 PolarHBondContact O-N 3.08Å; C31-T33 VanDerWaalsContact O-N 3.09Å; C31-K34 WeakPolarHBondContact O-CB 3.38Å; C31-K34 PolarHBondContact O-N 3.44Å; C31-C48 HydrophobicContact CB-CB 3.77Å; C31-C48 WeakPolarHBondContact CB-SG 3.46Å; C31-C48 WeakPolarHBondContact SG-CA 3.3Å; C31-C48 WeakPolarHBondContact SG-CB 3.44Å; C31-C48 CovalentContact SG-SG 2.02Å; C31-C48 PolarHBondContact SG-SG 3.14Å; C31-C57 CarbonylContact C-O 3.57Å; C31-C57 WeakPolarHBondContact O-CB 3.14Å; C31-C57 PolarHBondContact O-SG 3.38Å
32E86.4Confident72.3Confident86 Ų8685.3 Ų85.340%0.40249%0.488SS..G310 helixtrans-62.7-21.7-175.5-59.9-64.4159.600113.5K34 N35 C57 V58 T59E32-K34 PolarHBondContact O-N 3.49Å; E32-N35 WeakPolarHBondContact O-CB 3.36Å; E32-N35 VanDerWaalsContact O-CG 3.32Å; E32-N35 PolarHBondContact O-N 3.21Å; E32-N35 PolarHBondContact O-ND2 3.22Å; E32-N35 VanDerWaalsContact O-ND2 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.35Å; E32-C57 WeakPolarHBondContact CA-O 3.33Å; E32-C57 PolarHBondContact N-O 3.1Å; E32-V58 WeakPolarHBondContact OE1-CA 3.09Å; E32-V58 WeakPolarHBondContact OE1-CB 3.14Å; E32-V58 WeakPolarHBondContact OE1-CG1 3.49Å; E32-T59 PolarHBondContact OE1-N 3.39Å
33T85.4Confident74.4Confident97 Ų9779 Ų7960%0.59546%0.456SS*.G310 helixtrans-68.1-13.2174.968.90000113.1V30 C31V30-T33 PolarHBondContact O-OG1 2.93Å; C31-T33 PolarHBondContact O-N 3.08Å; C31-T33 VanDerWaalsContact O-N 3.09Å
34K83.1Confident76.5Confident91 Ų9182.1 Ų82.140%0.39645%0.453SS..G310 helixtrans-104.918178.8-53.7-57.7176-1740112.2C31 E32 G36 T37 C57C31-K34 WeakPolarHBondContact O-CB 3.38Å; C31-K34 PolarHBondContact O-N 3.44Å; E32-K34 PolarHBondContact O-N 3.49Å; K34-G36 PolarHBondContact O-N 2.89Å; K34-T37 HydrophobicContact CB-CG2 4.34Å; K34-T37 HydrophobicContact CD-CG2 4.41Å; K34-T37 PolarHBondContact O-N 2.9Å; K34-T37 PolarHBondContact O-OG1 3.4Å; K34-C57 HydrophobicContact CB-CB 4.09Å
35N87.3Confident78.3Confident71 Ų7177.1 Ų77.138%0.3843%0.432SS..THydrogen-bonded Turntrans-60131.9168.7-80.6-31.6000110.5E32 T37 S56 C57E32-N35 WeakPolarHBondContact O-CB 3.36Å; E32-N35 VanDerWaalsContact O-CG 3.32Å; E32-N35 PolarHBondContact O-N 3.21Å; E32-N35 PolarHBondContact O-ND2 3.22Å; E32-N35 VanDerWaalsContact O-ND2 3.09Å; E32-N35 PolarHBondContact OE2-ND2 3.35Å; N35-T37 VanDerWaalsContact C-N 3.32Å; N35-T37 PolarHBondContact O-N 3.28Å; N35-S56 VanDerWaalsContact OD1-CA 3.22Å; N35-S56 WeakPolarHBondContact OD1-CA 3.3Å; N35-C57 PolarHBondContact OD1-N 3.17Å; N35-C57 PolarHBondContact OD1-O 3.12Å
36G83.9Confident79.9Confident61 Ų6176.4 Ų76.463%0.62942%0.423SS*.THydrogen-bonded Turntrans78.24.6-178.900000115.9K34 K55K34-G36 PolarHBondContact O-N 2.89Å; G36-K55 WeakPolarHBondContact CA-O 3.41Å; G36-K55 PolarHBondContact N-O 3.45Å
37T88.1Confident81.3Confident54 Ų5476.2 Ų76.233%0.33142%0.418SS..SBendtrans-87.6-163.1176.367.90000112.6K34 N35 W50K34-T37 HydrophobicContact CB-CG2 4.34Å; K34-T37 HydrophobicContact CD-CG2 4.41Å; K34-T37 PolarHBondContact O-N 2.9Å; K34-T37 PolarHBondContact O-OG1 3.4Å; N35-T37 VanDerWaalsContact C-N 3.32Å; N35-T37 PolarHBondContact O-N 3.28Å; T37-W50 WeakPolarHBondContact O-CH2 3.38Å; T37-W50 WeakPolarHBondContact O-CZ2 3.33Å
38S90.1Very high83.1Confident43 Ų4371.2 Ų71.230%0.30139%0.386SS..  trans-75.7157.7169.177.70000111.4E40 D41 C42S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 WeakPolarHBondContact CB-OE2 3.48Å; S38-D41 PolarHBondContact O-N 3.01Å; S38-D41 WeakPolarHBondContact OG-CB 3.42Å; S38-D41 PolarHBondContact OG-N 3.24Å; S38-D41 VanDerWaalsContact OG-N 3.13Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; S38-C42 PolarHBondContact O-N 3.37Å
39C90.2Very high84.8Confident11 Ų1163.1 Ų63.17%0.07435%0.348CS..Hα-helixtrans-68-36.3178.2175.90000111.4D41 C42 L43 W50 C82C39-D41 VanDerWaalsContact C-N 3.33Å; C39-D41 PolarHBondContact O-N 3.18Å; C39-C42 PolarHBondContact O-N 2.98Å; C39-L43 WeakPolarHBondContact O-CB 3.31Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.21Å; C39-L43 PolarHBondContact O-N 3.45Å; C39-W50 HydrophobicContact CB-CD2 4.42Å; C39-W50 HydrophobicContact CB-CG 4.12Å; C39-C82 HydrophobicContact CB-CB 4.01Å; C39-C82 WeakPolarHBondContact CB-SG 3.37Å; C39-C82 WeakPolarHBondContact SG-CA 3.36Å; C39-C82 WeakPolarHBondContact SG-CB 3.21Å; C39-C82 CovalentContact SG-SG 2.02Å; C39-C82 PolarHBondContact SG-SG 3.33Å
40E90.4Very high86.5Confident118 Ų11855.9 Ų55.955%0.55132%0.315SS*.Hα-helixtrans-64.1-38.7177.2-61.572.6-160.300111.2S38 K44S38-E40 VanDerWaalsContact C-N 3.32Å; S38-E40 WeakPolarHBondContact CB-OE2 3.48Å; E40-K44 WeakPolarHBondContact O-CG 3.41Å
41D88.8Confident87.4Confident67 Ų6752.4 Ų52.436%0.35829%0.294SS..Hα-helixtrans-71.4-35.9177.4-73-47.5000112.9S38 C39 K44S38-D41 PolarHBondContact O-N 3.01Å; S38-D41 WeakPolarHBondContact OG-CB 3.42Å; S38-D41 PolarHBondContact OG-N 3.24Å; S38-D41 VanDerWaalsContact OG-N 3.13Å; S38-D41 PolarHBondContact OG-OD2 3.38Å; C39-D41 VanDerWaalsContact C-N 3.33Å; C39-D41 PolarHBondContact O-N 3.18Å; D41-K44 WeakPolarHBondContact OD1-CE 3.43Å; D41-K44 IonicContact OD1-NZ 2.74Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å
42C89.4Confident87.7Confident2 Ų254.6 Ų54.61%0.01430%0.304CS..Hα-helixtrans-67.8-44.7175.7174.70000111.8S38 C39 K44 C48 W50 C57S38-C42 PolarHBondContact O-N 3.37Å; C39-C42 PolarHBondContact O-N 2.98Å; C42-K44 VanDerWaalsContact C-N 3.25Å; C42-K44 PolarHBondContact O-N 3.27Å; C42-C48 WeakPolarHBondContact O-CB 3.41Å; C42-W50 HydrophobicContact CB-CB 4.3Å; C42-W50 HydrophobicContact CB-CD2 4.21Å; C42-W50 HydrophobicContact CB-CE3 3.57Å; C42-W50 HydrophobicContact CB-CZ3 4.24Å; C42-C57 VanDerWaalsContact CA-SG 3.53Å; C42-C57 HydrophobicContact CB-CB 3.71Å; C42-C57 WeakPolarHBondContact CB-SG 3.48Å; C42-C57 VanDerWaalsContact SG-CA 3.5Å; C42-C57 WeakPolarHBondContact SG-CB 3.44Å; C42-C57 CovalentContact SG-SG 2.02Å; C42-C57 PolarHBondContact SG-SG 3.26Å
43L88.7Confident87.9Confident15 Ų1557.9 Ų57.98%0.07932%0.317CS..THydrogen-bonded Turntrans-85.312.7-172.5-61.6178.1000114.2C39 N45 C48 W50 R78 C82C39-L43 WeakPolarHBondContact O-CB 3.31Å; C39-L43 VanDerWaalsContact O-CG 3.31Å; C39-L43 WeakPolarHBondContact O-CG 3.21Å; C39-L43 PolarHBondContact O-N 3.45Å; L43-N45 PolarHBondContact O-N 3.37Å; L43-C48 WeakPolarHBondContact CD2-O 3.34Å; L43-W50 HydrophobicContact CD1-CB 4.45Å; L43-W50 HydrophobicContact CD2-CB 4.11Å; L43-W50 HydrophobicContact CG-CB 4.2Å; L43-R78 HydrophobicContact CD1-CB 3.84Å; L43-C82 HydrophobicContact CD1-CB 4.24Å
44K87.1Confident88.1Confident151 Ų15157.2 Ų57.266%0.65731%0.313SS*.THydrogen-bonded Turntrans-57.7-31.2169-74.9176.9178.9161.70112.1E40 D41 C42E40-K44 WeakPolarHBondContact O-CG 3.41Å; D41-K44 WeakPolarHBondContact OD1-CE 3.43Å; D41-K44 IonicContact OD1-NZ 2.74Å; D41-K44 PolarHBondContact OD1-NZ 2.97Å; C42-K44 VanDerWaalsContact C-N 3.25Å; C42-K44 PolarHBondContact O-N 3.27Å
45N83.6Confident88.5Confident72 Ų7258.2 Ų58.239%0.38532%0.317SS..SBendtrans-106.8131.6174.3-60-61.4000109.7L43 S47 C48L43-N45 PolarHBondContact O-N 3.37Å; N45-S47 PolarHBondContact O-N 3.14Å; N45-C48 PolarHBondContact O-N 3.45Å; N45-C48 VanDerWaalsContact O-N 3.16Å
46V82.3Confident88.6Confident102 Ų10256.1 Ų56.162%0.61831%0.308SS*.THydrogen-bonded Turntrans-68.4-14.7178.6-65.50000113.7C48 W79V46-C48 VanDerWaalsContact C-N 3.31Å; V46-W79 PolarHBondContact O-NE1 3.48Å
47S85.1Confident88.9Confident42 Ų4253.2 Ų53.229%0.29428%0.279SS..THydrogen-bonded Turntrans-81.4-8.9175.2-47.30000113.4N45 Y60N45-S47 PolarHBondContact O-N 3.14Å; S47-Y60 PolarHBondContact O-N 3.23Å
48C88.4Confident88.9Confident1 Ų152.1 Ų52.11%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-95.9148.4179.2-53.90000111.5C31 C42 L43 N45 V46 V58C31-C48 HydrophobicContact CB-CB 3.77Å; C31-C48 WeakPolarHBondContact CB-SG 3.46Å; C31-C48 WeakPolarHBondContact SG-CA 3.3Å; C31-C48 WeakPolarHBondContact SG-CB 3.44Å; C31-C48 CovalentContact SG-SG 2.02Å; C31-C48 PolarHBondContact SG-SG 3.14Å; C42-C48 WeakPolarHBondContact O-CB 3.41Å; L43-C48 WeakPolarHBondContact CD2-O 3.34Å; N45-C48 PolarHBondContact O-N 3.45Å; N45-C48 VanDerWaalsContact O-N 3.16Å; V46-C48 VanDerWaalsContact C-N 3.31Å; C48-V58 WeakPolarHBondContact CA-O 3.36Å
49L89.6Confident88.8Confident5 Ų552.8 Ų52.83%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-123.4134.3172.7178.3136.8000109.9C57 V58 Y60 P67 A77L49-C57 WeakPolarHBondContact O-CA 3.09Å; L49-V58 HydrophobicContact CB-CG2 4.28Å; L49-V58 HydrophobicContact CD2-CG2 3.93Å; L49-V58 PolarHBondContact N-O 2.88Å; L49-V58 PolarHBondContact O-N 2.88Å; L49-Y60 HydrophobicContact CB-CD2 4.37Å; L49-Y60 HydrophobicContact CB-CG 4.17Å; L49-Y60 HydrophobicContact CD1-CD2 3.86Å; L49-Y60 HydrophobicContact CD1-CE2 4.29Å; L49-Y60 HydrophobicContact CD1-CG 4.1Å; L49-P67 HydrophobicContact CD1-CG 4.17Å; L49-A77 HydrophobicContact CD1-CB 4.49Å
50W91.5Very high88.2Confident4 Ų453.7 Ų53.72%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-106.7133.5179.4178.7-103.6000110.6T37 C39 C42 L43 K55 C57 R78T37-W50 WeakPolarHBondContact O-CH2 3.38Å; T37-W50 WeakPolarHBondContact O-CZ2 3.33Å; C39-W50 HydrophobicContact CB-CD2 4.42Å; C39-W50 HydrophobicContact CB-CG 4.12Å; C42-W50 HydrophobicContact CB-CB 4.3Å; C42-W50 HydrophobicContact CB-CD2 4.21Å; C42-W50 HydrophobicContact CB-CE3 3.57Å; C42-W50 HydrophobicContact CB-CZ3 4.24Å; L43-W50 HydrophobicContact CD1-CB 4.45Å; L43-W50 HydrophobicContact CD2-CB 4.11Å; L43-W50 HydrophobicContact CG-CB 4.2Å; W50-K55 VanDerWaalsContact CH2-C 3.48Å; W50-K55 HydrophobicContact CH2-CB 4.08Å; W50-K55 VanDerWaalsContact CH2-O 3.23Å; W50-K55 WeakPolarHBondContact CH2-O 3.16Å; W50-K55 HydrophobicContact CZ2-CB 4.1Å; W50-K55 HydrophobicContact CZ2-CD 3.8Å; W50-K55 WeakPolarHBondContact CZ3-O 3.34Å; W50-C57 HydrophobicContact CE3-CB 3.7Å; W50-C57 HydrophobicContact CZ3-CB 3.86Å; W50-R78 HydrophobicContact CB-CB 4.27Å; W50-R78 PolarHBondContact N-O 3.05Å; W50-R78 PolarHBondContact O-N 2.97Å
51C92.3Very high87.2Confident1 Ų151.2 Ų51.21%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-108121.2172.1-171.10000110.9T54 K55 S56 C72C51-T54 VanDerWaalsContact CB-OG1 3.32Å; C51-T54 WeakPolarHBondContact CB-OG1 3.45Å; C51-T54 PolarHBondContact SG-OG1 3.28Å; C51-K55 WeakPolarHBondContact O-CA 3.44Å; C51-K55 PolarHBondContact O-N 2.91Å; C51-S56 PolarHBondContact N-O 2.86Å; C51-S56 PolarHBondContact O-N 3.06Å; C51-C72 VanDerWaalsContact CA-SG 3.52Å; C51-C72 HydrophobicContact CB-CB 3.7Å; C51-C72 WeakPolarHBondContact CB-SG 3.2Å; C51-C72 WeakPolarHBondContact SG-CB 3.42Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3.33Å
52I90.9Very high85.9Confident52 Ų5254.6 Ų54.627%0.26729%0.293SS..THydrogen-bonded Turntrans-68.7-39.1-178.7-67.7174.8000111.9K55 D76 R78I52-K55 WeakPolarHBondContact O-CD 3.34Å; I52-K55 VanDerWaalsContact O-CE 3.27Å; I52-K55 WeakPolarHBondContact O-CE 3.31Å; I52-D76 HydrophobicContact CB-CB 4.19Å; I52-D76 WeakPolarHBondContact CG1-O 3.27Å; I52-D76 PolarHBondContact N-O 3.09Å; I52-D76 VanDerWaalsContact N-O 3.08Å; I52-R78 HydrophobicContact CD1-CG 4.02Å; I52-R78 HydrophobicContact CG1-CG 4.24Å
53K90.3Very high84.8Confident155 Ų15563.5 Ų63.567%0.67433%0.334SS*.THydrogen-bonded Turntrans-65.8-45.9-175-171.9175.2-177.5-179.40112.8P73 D76K53-P73 HydrophobicContact CD-CG 4.26Å; K53-D76 HydrophobicContact CB-CB 4.43Å
54T89.6Confident83.8Confident83 Ų8365.9 Ų65.951%0.50935%0.35SS..THydrogen-bonded Turntrans-96.6-8.5-178.151.80000113.3C51 S56C51-T54 VanDerWaalsContact CB-OG1 3.32Å; C51-T54 WeakPolarHBondContact CB-OG1 3.45Å; C51-T54 PolarHBondContact SG-OG1 3.28Å; T54-S56 PolarHBondContact O-N 3.17Å; T54-S56 PolarHBondContact OG1-OG 3.5Å
55K90.5Very high83.1Confident112 Ų11265.5 Ų65.549%0.48735%0.353SS..THydrogen-bonded Turntrans54.535.9-174.7-56.4-68-178.7177.30112.7G36 W50 C51 I52G36-K55 WeakPolarHBondContact CA-O 3.41Å; G36-K55 PolarHBondContact N-O 3.45Å; W50-K55 VanDerWaalsContact CH2-C 3.48Å; W50-K55 HydrophobicContact CH2-CB 4.08Å; W50-K55 VanDerWaalsContact CH2-O 3.23Å; W50-K55 WeakPolarHBondContact CH2-O 3.16Å; W50-K55 HydrophobicContact CZ2-CB 4.1Å; W50-K55 HydrophobicContact CZ2-CD 3.8Å; W50-K55 WeakPolarHBondContact CZ3-O 3.34Å; C51-K55 WeakPolarHBondContact O-CA 3.44Å; C51-K55 PolarHBondContact O-N 2.91Å; I52-K55 WeakPolarHBondContact O-CD 3.34Å; I52-K55 VanDerWaalsContact O-CE 3.27Å; I52-K55 WeakPolarHBondContact O-CE 3.31Å
56S90.1Very high82.8Confident28 Ų2866.1 Ų66.120%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-103.7134.7179.258.30000111.4N35 C51 T54N35-S56 VanDerWaalsContact OD1-CA 3.22Å; N35-S56 WeakPolarHBondContact OD1-CA 3.3Å; C51-S56 PolarHBondContact N-O 2.86Å; C51-S56 PolarHBondContact O-N 3.06Å; T54-S56 PolarHBondContact O-N 3.17Å; T54-S56 PolarHBondContact OG1-OG 3.5Å
57C90.8Very high82.5Confident0 Ų061.5 Ų61.50%033%0.328CS..EExtended strand (participates in β ladder)trans-102.2104.5169.6-170.90000109C31 E32 K34 N35 C42 L49 W50C31-C57 CarbonylContact C-O 3.57Å; C31-C57 WeakPolarHBondContact O-CB 3.14Å; C31-C57 PolarHBondContact O-SG 3.38Å; E32-C57 WeakPolarHBondContact CA-O 3.33Å; E32-C57 PolarHBondContact N-O 3.1Å; K34-C57 HydrophobicContact CB-CB 4.09Å; N35-C57 PolarHBondContact OD1-N 3.17Å; N35-C57 PolarHBondContact OD1-O 3.12Å; C42-C57 VanDerWaalsContact CA-SG 3.53Å; C42-C57 HydrophobicContact CB-CB 3.71Å; C42-C57 WeakPolarHBondContact CB-SG 3.48Å; C42-C57 VanDerWaalsContact SG-CA 3.5Å; C42-C57 WeakPolarHBondContact SG-CB 3.44Å; C42-C57 CovalentContact SG-SG 2.02Å; C42-C57 PolarHBondContact SG-SG 3.26Å; L49-C57 WeakPolarHBondContact O-CA 3.09Å; W50-C57 HydrophobicContact CE3-CB 3.7Å; W50-C57 HydrophobicContact CZ3-CB 3.86Å
58V88.3Confident82.3Confident31 Ų3162.4 Ų62.419%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-109.5146.7-177.4-60.40000111.7E32 C48 L49 Y60E32-V58 WeakPolarHBondContact OE1-CA 3.09Å; E32-V58 WeakPolarHBondContact OE1-CB 3.14Å; E32-V58 WeakPolarHBondContact OE1-CG1 3.49Å; C48-V58 WeakPolarHBondContact CA-O 3.36Å; L49-V58 HydrophobicContact CB-CG2 4.28Å; L49-V58 HydrophobicContact CD2-CG2 3.93Å; L49-V58 PolarHBondContact N-O 2.88Å; L49-V58 PolarHBondContact O-N 2.88Å; V58-Y60 PolarHBondContact O-N 3.48Å
59T87.8Confident81.8Confident57 Ų5769.1 Ų69.135%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-69.1116.7168.6-51.60000107.2E32 P61E32-T59 PolarHBondContact OE1-N 3.39Å; T59-P61 VanDerWaalsContact O-CD 3.23Å; T59-P61 WeakPolarHBondContact O-CD 3.38Å
60Y77.1Confident81.3Confident29 Ų2974.2 Ų74.211%0.11440%0.4CS..  trans-88.6110.4-178.4-176.6-110000109.4S47 L49 V58 V62 T64 I65 L66 P67S47-Y60 PolarHBondContact O-N 3.23Å; L49-Y60 HydrophobicContact CB-CD2 4.37Å; L49-Y60 HydrophobicContact CB-CG 4.17Å; L49-Y60 HydrophobicContact CD1-CD2 3.86Å; L49-Y60 HydrophobicContact CD1-CE2 4.29Å; L49-Y60 HydrophobicContact CD1-CG 4.1Å; V58-Y60 PolarHBondContact O-N 3.48Å; Y60-V62 PolarHBondContact O-N 3.03Å; Y60-T64 PolarHBondContact OH-O 2.87Å; Y60-I65 PolarHBondContact OH-O 2.85Å; Y60-I65 VanDerWaalsContact OH-O 3.06Å; Y60-L66 WeakPolarHBondContact OH-CA 3.15Å; Y60-L66 PolarHBondContact OH-N 2.76Å; Y60-P67 HydrophobicContact CD2-CB 4.29Å; Y60-P67 HydrophobicContact CE2-CB 3.59Å; Y60-P67 HydrophobicContact CE2-CG 4.02Å; Y60-P67 VanDerWaalsContact OH-CD 3.23Å; Y60-P67 WeakPolarHBondContact OH-CD 3.32Å
61P69.2Low80.8Confident67 Ų6779.2 Ų79.244%0.43543%0.427SS..  trans-68.6128.1-179.927.9-32.8000109.8T59 Q63 T64T59-P61 VanDerWaalsContact O-CD 3.23Å; T59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-Q63 PolarHBondContact O-N 2.9Å; P61-T64 PolarHBondContact O-N 3.29Å
62V61.8Low80.5Confident138 Ų13879.2 Ų79.284%0.83643%0.427SS*.THydrogen-bonded Turntrans-65.4-6.8175.4-124.50000113.3Y60 T64Y60-V62 PolarHBondContact O-N 3.03Å; V62-T64 VanDerWaalsContact C-N 3.34Å
63Q66.4Low80.4Confident188 Ų18878.6 Ų78.688%0.87943%0.426SS*.THydrogen-bonded Turntrans-73.1-26.8-179.7-59.5-161.245.900112.8P61P61-Q63 PolarHBondContact O-N 2.9Å
64T67.1Low80.1Confident65 Ų6572.3 Ų72.340%0.39940%0.4SS..SBendtrans-108.5125.9176.251.40000109.9Y60 P61 V62 L66Y60-T64 PolarHBondContact OH-O 2.87Å; P61-T64 PolarHBondContact O-N 3.29Å; V62-T64 VanDerWaalsContact C-N 3.34Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.1Å
65I71.8Confident80.1Confident144 Ų14472.2 Ų72.274%0.73840%0.396SS*.SBendtrans-65.4-35-176.9-56.1-63.8000111.6Y60Y60-I65 PolarHBondContact OH-O 2.85Å; Y60-I65 VanDerWaalsContact OH-O 3.06Å
66L77.3Confident80Confident84 Ų8469.4 Ų69.444%0.4439%0.387SS..SBendtrans-124.7140.2176.5-88.566.5000111.4Y60 T64 L74 I90Y60-L66 WeakPolarHBondContact OH-CA 3.15Å; Y60-L66 PolarHBondContact OH-N 2.76Å; T64-L66 VanDerWaalsContact C-N 3.31Å; T64-L66 PolarHBondContact O-N 3.1Å; L66-L74 HydrophobicContact CD2-CD2 4.33Å; L66-I90 HydrophobicContact CD1-CD1 4.24Å; L66-I90 HydrophobicContact CG-CD1 4.33Å
67P77.3Confident80.1Confident5 Ų568.1 Ų68.13%0.03238%0.377CS..  trans-64.2135.7169.724.2-27.5000109L49 Y60 L74 F86L49-P67 HydrophobicContact CD1-CG 4.17Å; Y60-P67 HydrophobicContact CD2-CB 4.29Å; Y60-P67 HydrophobicContact CE2-CB 3.59Å; Y60-P67 HydrophobicContact CE2-CG 4.02Å; Y60-P67 VanDerWaalsContact OH-CD 3.23Å; Y60-P67 WeakPolarHBondContact OH-CD 3.32Å; P67-L74 HydrophobicContact CG-CD1 3.97Å; P67-F86 HydrophobicContact CG-CD1 4.11Å; P67-F86 HydrophobicContact CG-CE1 4.11Å
68P79.7Confident80.2Confident61 Ų6169.3 Ų69.340%0.39638%0.382SS..  trans-62140.5173.826.1-34.8000110.6S70 L71P68-S70 PolarHBondContact O-N 2.92Å; P68-L71 HydrophobicContact CG-CB 4.44Å; P68-L71 HydrophobicContact CG-CD1 3.63Å; P68-L71 HydrophobicContact CG-CG 3.88Å; P68-L71 PolarHBondContact O-N 2.64Å
69H79.6Confident80.2Confident142 Ų14272.4 Ų72.466%0.65739%0.39SS*.THydrogen-bonded Turntrans-57.1-21.5179.9-74.2-80.2000114.1L71H69-L71 VanDerWaalsContact C-N 3.32Å
70S79.2Confident80.2Confident113 Ų11371.1 Ų71.179%0.7939%0.389SS*.THydrogen-bonded Turntrans-68.9-27.7175.9560000113.3P68P68-S70 PolarHBondContact O-N 2.92Å
71L79.9Confident80.7Confident108 Ų10873.7 Ų73.757%0.56540%0.404SS*.THydrogen-bonded Turntrans-82.7-50.9177.1-70.2176000111P68 H69P68-L71 HydrophobicContact CG-CB 4.44Å; P68-L71 HydrophobicContact CG-CD1 3.63Å; P68-L71 HydrophobicContact CG-CG 3.88Å; P68-L71 PolarHBondContact O-N 2.64Å; H69-L71 VanDerWaalsContact C-N 3.32Å
72C86.1Confident81.7Confident2 Ų272.1 Ų72.11%0.01439%0.394CS..  trans-155.3138.2176-164.50000110.2C51 A77C51-C72 VanDerWaalsContact CA-SG 3.52Å; C51-C72 HydrophobicContact CB-CB 3.7Å; C51-C72 WeakPolarHBondContact CB-SG 3.2Å; C51-C72 WeakPolarHBondContact SG-CB 3.42Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3.33Å; C72-A77 HydrophobicContact CB-CB 4.43Å
73P88.1Confident82.9Confident39 Ų3974.6 Ų74.625%0.25339%0.388SS..  trans-62.9140.7168.624.8-29.8000110.3K53 D75 D76 A77K53-P73 HydrophobicContact CD-CG 4.26Å; P73-D75 PolarHBondContact O-N 2.95Å; P73-D75 VanDerWaalsContact O-N 3.09Å; P73-D76 HydrophobicContact CG-CB 4.03Å; P73-D76 WeakPolarHBondContact CG-OD2 3.21Å; P73-D76 PolarHBondContact O-N 2.8Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-A77 VanDerWaalsContact O-N 3.07Å
74L85.3Confident84Confident22 Ų2268.5 Ų68.512%0.11536%0.361CS..THydrogen-bonded Turntrans-58.9-26.8-173.3-133.771.7000113.5L66 P67 F86 Q87L66-L74 HydrophobicContact CD2-CD2 4.33Å; P67-L74 HydrophobicContact CG-CD1 3.97Å; L74-F86 HydrophobicContact CD1-CD1 4.13Å; L74-F86 HydrophobicContact CG-CD1 4.34Å; L74-Q87 HydrophobicContact CB-CB 4.5Å; L74-Q87 HydrophobicContact CD2-CB 4.25Å; L74-Q87 HydrophobicContact CD2-CG 4.38Å; L74-Q87 HydrophobicContact CG-CB 4.44Å
75D88.1Confident85.1Confident82 Ų8267.4 Ų67.444%0.43935%0.352SS..THydrogen-bonded Turntrans-74.5-28179.1-58.8-22.4000112.6P73 R78 N85 Q87P73-D75 PolarHBondContact O-N 2.95Å; P73-D75 VanDerWaalsContact O-N 3.09Å; D75-R78 PolarHBondContact O-NH1 2.76Å; D75-N85 PolarHBondContact O-ND2 3.02Å; D75-N85 VanDerWaalsContact O-ND2 3.08Å; D75-N85 PolarHBondContact O-OD1 2.98Å; D75-Q87 PolarHBondContact OD1-OE1 2.78Å
76D90.3Very high85.9Confident53 Ų5361 Ų6128%0.28332%0.319SS..THydrogen-bonded Turntrans-100.3-11.2179.9-67.2-31.8000112.8I52 K53 P73I52-D76 HydrophobicContact CB-CB 4.19Å; I52-D76 WeakPolarHBondContact CG1-O 3.27Å; I52-D76 PolarHBondContact N-O 3.09Å; I52-D76 VanDerWaalsContact N-O 3.08Å; K53-D76 HydrophobicContact CB-CB 4.43Å; P73-D76 HydrophobicContact CG-CB 4.03Å; P73-D76 WeakPolarHBondContact CG-OD2 3.21Å; P73-D76 PolarHBondContact O-N 2.8Å
77A91.7Very high86.4Confident0 Ų060.9 Ų60.90%032%0.317CS..EExtended strand (participates in β ladder)trans-73.1138.4174.700000110.7L49 C72 P73 F86L49-A77 HydrophobicContact CD1-CB 4.49Å; C72-A77 HydrophobicContact CB-CB 4.43Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-A77 VanDerWaalsContact O-N 3.07Å; A77-F86 HydrophobicContact CB-CB 4.01Å; A77-F86 PolarHBondContact O-N 3.15Å
78R92.1Very high87.1Confident26 Ų2663.2 Ų63.210%0.09833%0.331CS..EExtended strand (participates in β ladder)trans-129136.6177.4-59-65.6-178-89.30.6109.4L43 W50 I52 D75 C82 M84 N85L43-R78 HydrophobicContact CD1-CB 3.84Å; W50-R78 HydrophobicContact CB-CB 4.27Å; W50-R78 PolarHBondContact N-O 3.05Å; W50-R78 PolarHBondContact O-N 2.97Å; I52-R78 HydrophobicContact CD1-CG 4.02Å; I52-R78 HydrophobicContact CG1-CG 4.24Å; D75-R78 PolarHBondContact O-NH1 2.76Å; R78-C82 VanDerWaalsContact CD-O 3.23Å; R78-C82 WeakPolarHBondContact CD-O 3.22Å; R78-C82 PolarHBondContact NE-O 3.08Å; R78-C82 VanDerWaalsContact NE-O 3.1Å; R78-M84 WeakPolarHBondContact CD-O 3.42Å; R78-N85 VanDerWaalsContact NH1-CG 3.34Å; R78-N85 PolarHBondContact NH1-OD1 3.32Å; R78-N85 PolarHBondContact NH2-OD1 3.15Å
79W89Confident87.5Confident95 Ų9561.8 Ų61.836%0.3632%0.319SS..EExtended strand (participates in β ladder)trans-141.2125.3-178.4175.858.7000110V46 L81 F86 L89V46-W79 PolarHBondContact O-NE1 3.48Å; W79-L81 PolarHBondContact O-N 3.47Å; W79-F86 HydrophobicContact CB-CD2 3.67Å; W79-F86 HydrophobicContact CB-CE2 4.04Å; W79-F86 HydrophobicContact CD2-CD2 4.37Å; W79-F86 AromaticContact CD2-CE2 3.94Å; W79-F86 HydrophobicContact CD2-CE2 3.94Å; W79-F86 AromaticContact CE3-CD2 4Å; W79-F86 HydrophobicContact CE3-CD2 4Å; W79-F86 AromaticContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CG-CD2 4.29Å; W79-F86 HydrophobicContact CG-CE2 4.18Å; W79-F86 HydrophobicContact CZ3-CE2 4.27Å; W79-L89 HydrophobicContact CE3-CD1 4.25Å; W79-L89 VanDerWaalsContact O-CD1 3.29Å; W79-L89 WeakPolarHBondContact O-CD1 3.28Å
80G86.7Confident87.9Confident31 Ų3157.6 Ų57.632%0.3230%0.301SS..SBendtrans65.2-32.2-175.400000115.8
81L88.8Confident88.5Confident83 Ų8356.5 Ų56.544%0.43529%0.286SS..  trans-135131-173.1-71.1167.5000109.9W79 L89W79-L81 PolarHBondContact O-N 3.47Å; L81-L89 HydrophobicContact CD1-CD2 4.19Å
82C90.6Very high89Confident33 Ų3354.4 Ų54.422%0.22328%0.277CS..SBendtrans-83.5-34-177.1-168.10000114.5C39 L43 R78 M84C39-C82 HydrophobicContact CB-CB 4.01Å; C39-C82 WeakPolarHBondContact CB-SG 3.37Å; C39-C82 WeakPolarHBondContact SG-CA 3.36Å; C39-C82 WeakPolarHBondContact SG-CB 3.21Å; C39-C82 CovalentContact SG-SG 2.02Å; C39-C82 PolarHBondContact SG-SG 3.33Å; L43-C82 HydrophobicContact CD1-CB 4.24Å; R78-C82 VanDerWaalsContact CD-O 3.23Å; R78-C82 WeakPolarHBondContact CD-O 3.22Å; R78-C82 PolarHBondContact NE-O 3.08Å; R78-C82 VanDerWaalsContact NE-O 3.1Å; C82-M84 PolarHBondContact O-N 2.57Å
83W87.1Confident89.2Confident190 Ų19059.7 Ų59.772%0.7231%0.305SS*.SBendtrans-67.8-18.2-17868.2-44.9000114.4
84M88.4Confident89.4Confident60 Ų6061.2 Ų61.230%0.29632%0.316SS..SBendtrans-126.5138.6-171.9-64.7-66.4168.800112.5R78 C82 L89R78-M84 WeakPolarHBondContact CD-O 3.42Å; C82-M84 PolarHBondContact O-N 2.57Å; M84-L89 HydrophobicContact CB-CD2 4.46Å
85N89.5Confident89.9Confident42 Ų4263.9 Ų63.923%0.22533%0.334CS..  trans-69.7150.8179.2-52.6-1.8000111.6D75 R78 Q87 T88 L89D75-N85 PolarHBondContact O-ND2 3.02Å; D75-N85 VanDerWaalsContact O-ND2 3.08Å; D75-N85 PolarHBondContact O-OD1 2.98Å; R78-N85 VanDerWaalsContact NH1-CG 3.34Å; R78-N85 PolarHBondContact NH1-OD1 3.32Å; R78-N85 PolarHBondContact NH2-OD1 3.15Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; N85-T88 PolarHBondContact O-N 2.92Å; N85-T88 VanDerWaalsContact O-N 3.12Å; N85-L89 PolarHBondContact O-N 3.42Å; N85-L89 VanDerWaalsContact O-N 3.14Å
86F88.5Confident90.2Very high11 Ų1165.2 Ų65.25%0.04834%0.34CS..Hα-helixtrans-60.5-37.6174.9-170.5-127.3000112.1P67 L74 A77 W79 T88 L89 I90P67-F86 HydrophobicContact CG-CD1 4.11Å; P67-F86 HydrophobicContact CG-CE1 4.11Å; L74-F86 HydrophobicContact CD1-CD1 4.13Å; L74-F86 HydrophobicContact CG-CD1 4.34Å; A77-F86 HydrophobicContact CB-CB 4.01Å; A77-F86 PolarHBondContact O-N 3.15Å; W79-F86 HydrophobicContact CB-CD2 3.67Å; W79-F86 HydrophobicContact CB-CE2 4.04Å; W79-F86 HydrophobicContact CD2-CD2 4.37Å; W79-F86 AromaticContact CD2-CE2 3.94Å; W79-F86 HydrophobicContact CD2-CE2 3.94Å; W79-F86 AromaticContact CE3-CD2 4Å; W79-F86 HydrophobicContact CE3-CD2 4Å; W79-F86 AromaticContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CE3-CE2 3.54Å; W79-F86 HydrophobicContact CG-CD2 4.29Å; W79-F86 HydrophobicContact CG-CE2 4.18Å; W79-F86 HydrophobicContact CZ3-CE2 4.27Å; F86-T88 VanDerWaalsContact C-N 3.35Å; F86-T88 PolarHBondContact O-N 2.76Å; F86-L89 HydrophobicContact CD2-CD1 4.46Å; F86-L89 PolarHBondContact O-N 3.45Å; F86-I90 HydrophobicContact CD1-CD1 3.97Å; F86-I90 HydrophobicContact CE1-CD1 3.68Å; F86-I90 HydrophobicContact CE1-CG1 4.47Å; F86-I90 HydrophobicContact CE2-CG1 4.48Å; F86-I90 HydrophobicContact CG-CD1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.99Å; F86-I90 HydrophobicContact CZ-CG1 4.35Å; F86-I90 WeakPolarHBondContact O-CG1 3.25Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-I90 VanDerWaalsContact O-N 3.11Å
87Q89.4Confident90.3Very high81 Ų8164 Ų6438%0.37934%0.341SS..Hα-helixtrans-56.3-47173.2-170.6-169.74400112.2L74 D75 N85 L89 I90 I91L74-Q87 HydrophobicContact CB-CB 4.5Å; L74-Q87 HydrophobicContact CD2-CB 4.25Å; L74-Q87 HydrophobicContact CD2-CG 4.38Å; L74-Q87 HydrophobicContact CG-CB 4.44Å; D75-Q87 PolarHBondContact OD1-OE1 2.78Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.2Å; Q87-I90 PolarHBondContact O-N 3.37Å; Q87-I91 HydrophobicContact CG-CD1 4.05Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.98Å
88T90.9Very high90.4Very high54 Ų5466.1 Ų66.133%0.33136%0.358SS..Hα-helixtrans-62.8-40179.5-51.70000111.3N85 F86 I90 I91 T92N85-T88 PolarHBondContact O-N 2.92Å; N85-T88 VanDerWaalsContact O-N 3.12Å; F86-T88 VanDerWaalsContact C-N 3.35Å; F86-T88 PolarHBondContact O-N 2.76Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 3.28Å; T88-I91 PolarHBondContact O-N 3.34Å; T88-T92 HydrophobicContact CG2-CG2 4.36Å; T88-T92 VanDerWaalsContact O-CG2 3.29Å; T88-T92 WeakPolarHBondContact O-CG2 3.25Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.85Å
89L87.7Confident90.4Very high30 Ų3069 Ų6916%0.15738%0.378CS..Hα-helixtrans-61.6-41.5176.8-65.1174.5000112.2W79 L81 M84 N85 F86 Q87 T92 L93W79-L89 HydrophobicContact CE3-CD1 4.25Å; W79-L89 VanDerWaalsContact O-CD1 3.29Å; W79-L89 WeakPolarHBondContact O-CD1 3.28Å; L81-L89 HydrophobicContact CD1-CD2 4.19Å; M84-L89 HydrophobicContact CB-CD2 4.46Å; N85-L89 PolarHBondContact O-N 3.42Å; N85-L89 VanDerWaalsContact O-N 3.14Å; F86-L89 HydrophobicContact CD2-CD1 4.46Å; F86-L89 PolarHBondContact O-N 3.45Å; Q87-L89 VanDerWaalsContact C-N 3.32Å; Q87-L89 PolarHBondContact O-N 3.2Å; L89-T92 PolarHBondContact O-OG1 3.23Å; L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.31Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-L93 VanDerWaalsContact O-N 3.1Å
90I88.6Confident90.4Very high54 Ų5469.6 Ų69.628%0.27739%0.388SS..Hα-helixtrans-65.8-44.4177.6-65.4168.3000110.8L66 F86 Q87 T88 T92 L93 S94L66-I90 HydrophobicContact CD1-CD1 4.24Å; L66-I90 HydrophobicContact CG-CD1 4.33Å; F86-I90 HydrophobicContact CD1-CD1 3.97Å; F86-I90 HydrophobicContact CE1-CD1 3.68Å; F86-I90 HydrophobicContact CE1-CG1 4.47Å; F86-I90 HydrophobicContact CE2-CG1 4.48Å; F86-I90 HydrophobicContact CG-CD1 4.49Å; F86-I90 HydrophobicContact CZ-CD1 3.99Å; F86-I90 HydrophobicContact CZ-CG1 4.35Å; F86-I90 WeakPolarHBondContact O-CG1 3.25Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-I90 VanDerWaalsContact O-N 3.11Å; Q87-I90 PolarHBondContact O-N 3.37Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 3.28Å; I90-T92 PolarHBondContact O-N 3.46Å; I90-L93 PolarHBondContact O-N 3.46Å; I90-S94 WeakPolarHBondContact O-CB 3.34Å; I90-S94 PolarHBondContact O-N 2.84Å; I90-S94 PolarHBondContact O-OG 3.42Å
91I91.5Very high90.5Very high91 Ų9173.2 Ų73.247%0.46740%0.399SS..Hα-helixtrans-61.3-46.5179.2-66.7167.7000110.3Q87 T88 L93 S94 V95Q87-I91 HydrophobicContact CG-CD1 4.05Å; Q87-I91 WeakPolarHBondContact O-CG1 3.49Å; Q87-I91 PolarHBondContact O-N 2.98Å; T88-I91 PolarHBondContact O-N 3.34Å; I91-L93 PolarHBondContact O-N 3.24Å; I91-S94 PolarHBondContact O-N 2.86Å; I91-V95 HydrophobicContact CG2-CG2 4.28Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 2.95Å
92T91.3Very high90.5Very high63 Ų6374.3 Ų74.339%0.38740%0.404SS..Hα-helixtrans-63.9-44.1-178.956.40000112T88 L89 I90 S94 V95 L96T88-T92 HydrophobicContact CG2-CG2 4.36Å; T88-T92 VanDerWaalsContact O-CG2 3.29Å; T88-T92 WeakPolarHBondContact O-CG2 3.25Å; T88-T92 PolarHBondContact O-N 3.38Å; T88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 PolarHBondContact O-OG1 3.23Å; I90-T92 PolarHBondContact O-N 3.46Å; T92-S94 VanDerWaalsContact C-N 3.32Å; T92-S94 PolarHBondContact O-N 2.84Å; T92-V95 PolarHBondContact O-N 2.89Å; T92-L96 WeakPolarHBondContact O-CB 3.49Å; T92-L96 VanDerWaalsContact O-CG 3.26Å; T92-L96 WeakPolarHBondContact O-CG 3.06Å; T92-L96 PolarHBondContact O-N 3.48Å
93L90Very high90Very high113 Ų11375.4 Ų75.459%0.59242%0.415SS*.Hα-helixtrans-61.7-40.4175.3-70.7175000112.1L89 I90 I91 G97L89-L93 VanDerWaalsContact O-CG 3.3Å; L89-L93 WeakPolarHBondContact O-CG 3.31Å; L89-L93 PolarHBondContact O-N 3.29Å; L89-L93 VanDerWaalsContact O-N 3.1Å; I90-L93 PolarHBondContact O-N 3.46Å; I91-L93 PolarHBondContact O-N 3.24Å; L93-G97 PolarHBondContact O-N 3.27Å
94S92.8Very high89.8Confident71 Ų7170.3 Ų70.350%0.49740%0.401SS..Hα-helixtrans-64.9-45.8178-580000111.7I90 I91 T92 G97 A98I90-S94 WeakPolarHBondContact O-CB 3.34Å; I90-S94 PolarHBondContact O-N 2.84Å; I90-S94 PolarHBondContact O-OG 3.42Å; I91-S94 PolarHBondContact O-N 2.86Å; T92-S94 VanDerWaalsContact C-N 3.32Å; T92-S94 PolarHBondContact O-N 2.84Å; S94-G97 PolarHBondContact O-N 3.28Å; S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.4Å
95V95.7Very high89.4Confident79 Ų7972.1 Ų72.148%0.47941%0.411SS..Hα-helixtrans-65.6-45.6178.7172.10000110.9I91 T92 G97 A98 V99I91-V95 HydrophobicContact CG2-CG2 4.28Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.31Å; I91-V95 PolarHBondContact O-N 2.95Å; T92-V95 PolarHBondContact O-N 2.89Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.35Å; V95-A98 PolarHBondContact O-N 2.9Å; V95-V99 HydrophobicContact CG1-CG2 4.32Å; V95-V99 WeakPolarHBondContact O-CB 3.34Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.25Å; V95-V99 PolarHBondContact O-N 3.38Å
96L93.7Very high89Confident110 Ų11073.9 Ų73.958%0.57642%0.422SS*.Hα-helixtrans-60.7-45.2176.6-72.4172.7000111.3T92 A98 V99 L100T92-L96 WeakPolarHBondContact O-CB 3.49Å; T92-L96 VanDerWaalsContact O-CG 3.26Å; T92-L96 WeakPolarHBondContact O-CG 3.06Å; T92-L96 PolarHBondContact O-N 3.48Å; L96-A98 PolarHBondContact O-N 2.73Å; L96-V99 PolarHBondContact O-N 2.95Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.44Å
97G92.6Very high88.3Confident28 Ų2875.6 Ų75.629%0.28944%0.436SS..Hα-helixtrans-58.5-47.1174.500000112.2L93 S94 V95 L100 I101L93-G97 PolarHBondContact O-N 3.27Å; S94-G97 PolarHBondContact O-N 3.28Å; V95-G97 VanDerWaalsContact C-N 3.35Å; V95-G97 PolarHBondContact O-N 3.35Å; G97-L100 PolarHBondContact O-N 2.88Å; G97-I101 VanDerWaalsContact O-CG1 3.25Å; G97-I101 WeakPolarHBondContact O-CG1 3.3Å; G97-I101 PolarHBondContact O-N 3.45Å
98A93.5Very high87.3Confident44 Ų4477.1 Ų77.136%0.36444%0.444SS..Hα-helixtrans-62.5-44.7178.600000112.4S94 V95 L96 L100 I101 I102S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 3.4Å; V95-A98 PolarHBondContact O-N 2.9Å; L96-A98 PolarHBondContact O-N 2.73Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.88Å; A98-I101 PolarHBondContact O-N 3.49Å; A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.38Å; A98-I102 PolarHBondContact O-N 3.39Å
99V92.3Very high86.1Confident85 Ų8580 Ų8052%0.51545%0.452SS..Hα-helixtrans-61.9-42.8177.81710000110.9V95 L96 I102 A103V95-V99 HydrophobicContact CG1-CG2 4.32Å; V95-V99 WeakPolarHBondContact O-CB 3.34Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.25Å; V95-V99 PolarHBondContact O-N 3.38Å; L96-V99 PolarHBondContact O-N 2.95Å; V99-I102 PolarHBondContact O-N 3.35Å; V99-A103 VanDerWaalsContact O-CB 3.25Å; V99-A103 WeakPolarHBondContact O-CB 3.37Å; V99-A103 PolarHBondContact O-N 3.04Å
100L88.8Confident85Confident108 Ų10881.9 Ų81.957%0.56547%0.467SS*.Hα-helixtrans-62.8-45.2176-71.2173000111.7L96 G97 A98 A103 L104L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 3.44Å; G97-L100 PolarHBondContact O-N 2.88Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.88Å; L100-A103 PolarHBondContact O-N 2.98Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.26Å
101I88.3Confident83.8Confident108 Ų10882 Ų8255%0.55447%0.472SS*.Hα-helixtrans-62.5-47177.5-67.5164.5000110.5G97 A98 A103 L104 M105G97-I101 VanDerWaalsContact O-CG1 3.25Å; G97-I101 WeakPolarHBondContact O-CG1 3.3Å; G97-I101 PolarHBondContact O-N 3.45Å; A98-I101 PolarHBondContact O-N 3.49Å; I101-A103 VanDerWaalsContact C-N 3.35Å; I101-A103 PolarHBondContact O-N 3.06Å; I101-L104 PolarHBondContact O-N 3Å; I101-M105 HydrophobicContact CG2-CG 4.25Å; I101-M105 WeakPolarHBondContact O-CB 3.16Å; I101-M105 WeakPolarHBondContact O-CG 3.2Å; I101-M105 PolarHBondContact O-N 3.13Å
102I88.6Confident82.2Confident106 Ų10679.9 Ų79.954%0.54446%0.464SS..Hα-helixtrans-62-43.9178.6-67.7165000110.4A98 V99 L104 M105 V106A98-I102 WeakPolarHBondContact O-CB 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.38Å; A98-I102 PolarHBondContact O-N 3.39Å; V99-I102 PolarHBondContact O-N 3.35Å; I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 PolarHBondContact O-N 3.43Å; I102-M105 PolarHBondContact O-N 3.47Å; I102-V106 HydrophobicContact CG2-CG2 4.27Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.92Å
103A81.9Confident80.3Confident56 Ų5683.2 Ų83.246%0.46347%0.474SS..Hα-helixtrans-60.7-41.1176.900000112V99 L100 I101 C107V99-A103 VanDerWaalsContact O-CB 3.25Å; V99-A103 WeakPolarHBondContact O-CB 3.37Å; V99-A103 PolarHBondContact O-N 3.04Å; L100-A103 PolarHBondContact O-N 2.98Å; I101-A103 VanDerWaalsContact C-N 3.35Å; I101-A103 PolarHBondContact O-N 3.06Å; A103-C107 VanDerWaalsContact O-CB 3.25Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 3.34Å
104L81.9Confident78.1Confident82 Ų8281.6 Ų81.643%0.42947%0.471SS..Hα-helixtrans-65.4-45174.4-71.8176.2000111.8L9 L100 I101 I102 C107 M108L9-L104 HydrophobicContact CD2-CD2 4.38Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3.26Å; I101-L104 PolarHBondContact O-N 3Å; I102-L104 VanDerWaalsContact C-N 3.32Å; I102-L104 PolarHBondContact O-N 3.43Å; L104-C107 PolarHBondContact O-N 3.5Å; L104-M108 WeakPolarHBondContact O-CB 3.19Å; L104-M108 VanDerWaalsContact O-CG 3.22Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.1Å
105M80.1Confident76.1Confident99 Ų9983.9 Ų83.949%0.48847%0.474SS..Hα-helixtrans-60.4-50177-68-66.6-82.100110.2I101 I102 C107 M108 F109I101-M105 HydrophobicContact CG2-CG 4.25Å; I101-M105 WeakPolarHBondContact O-CB 3.16Å; I101-M105 WeakPolarHBondContact O-CG 3.2Å; I101-M105 PolarHBondContact O-N 3.13Å; I102-M105 PolarHBondContact O-N 3.47Å; M105-C107 VanDerWaalsContact C-N 3.33Å; M105-C107 PolarHBondContact O-N 2.96Å; M105-M108 PolarHBondContact O-N 3.49Å; M105-F109 HydrophobicContact CB-CD2 4.26Å; M105-F109 HydrophobicContact CE-CD2 4.1Å; M105-F109 HydrophobicContact CE-CE2 3.34Å; M105-F109 HydrophobicContact CE-CZ 4.16Å; M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 WeakPolarHBondContact O-CD2 3.25Å; M105-F109 PolarHBondContact O-N 3.26Å; M105-F109 HydrophobicContact SD-CD2 4.32Å; M105-F109 HydrophobicContact SD-CE2 3.73Å
106V81.2Confident73.8Confident78 Ų7885.6 Ų85.647%0.47348%0.48SS..Hα-helixtrans-59.6-43.2176.2173.50000111.2I102 M108 C110I102-V106 HydrophobicContact CG2-CG2 4.27Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.31Å; I102-V106 PolarHBondContact O-N 2.92Å; V106-M108 PolarHBondContact O-N 3.44Å; V106-C110 HydrophobicContact CG1-CB 4.32Å; V106-C110 WeakPolarHBondContact O-CA 3.43Å; V106-C110 WeakPolarHBondContact O-CB 3.01Å; V106-C110 PolarHBondContact O-N 2.91Å
107C73.2Confident71.7Confident48 Ų4889.3 Ų89.332%0.32449%0.492SS..Iπ-helixtrans-61.4-44.1176.4-173.70000112.1A103 L104 M105 C111 C112A103-C107 VanDerWaalsContact O-CB 3.25Å; A103-C107 WeakPolarHBondContact O-CB 3.42Å; A103-C107 PolarHBondContact O-N 3.34Å; L104-C107 PolarHBondContact O-N 3.5Å; M105-C107 VanDerWaalsContact C-N 3.33Å; M105-C107 PolarHBondContact O-N 2.96Å; C107-C111 VanDerWaalsContact O-CA 3.32Å; C107-C111 WeakPolarHBondContact O-CA 3.39Å; C107-C111 WeakPolarHBondContact O-CB 3.47Å; C107-C111 PolarHBondContact O-N 3.49Å; C107-C112 PolarHBondContact O-N 2.95Å
108M68.9Low69.9Low113 Ų11390.2 Ų90.256%0.55750%0.501SS*.Iπ-helixtrans-70.8-42.8179.9-68.9-61.5-71.700112.3L104 M105 V106 C112 K113L104-M108 WeakPolarHBondContact O-CB 3.19Å; L104-M108 VanDerWaalsContact O-CG 3.22Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.1Å; M105-M108 PolarHBondContact O-N 3.49Å; V106-M108 PolarHBondContact O-N 3.44Å; M108-C112 WeakPolarHBondContact O-CB 3.3Å; M108-C112 PolarHBondContact O-N 3.41Å; M108-K113 PolarHBondContact O-N 3.46Å
109F64.6Low68.4Low115 Ų11590 Ų9050%0.50450%0.497SS..Iπ-helixtrans-81.6-36.3-177.7-74.3-77.8000112.8M105 K113M105-F109 HydrophobicContact CB-CD2 4.26Å; M105-F109 HydrophobicContact CE-CD2 4.1Å; M105-F109 HydrophobicContact CE-CE2 3.34Å; M105-F109 HydrophobicContact CE-CZ 4.16Å; M105-F109 WeakPolarHBondContact O-CB 3.23Å; M105-F109 WeakPolarHBondContact O-CD2 3.25Å; M105-F109 PolarHBondContact O-N 3.26Å; M105-F109 HydrophobicContact SD-CD2 4.32Å; M105-F109 HydrophobicContact SD-CE2 3.73Å; F109-K113 HydrophobicContact CD1-CD 4.45Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å
110C64.7Low67.1Low69 Ų6991.5 Ų91.547%0.46650%0.498SS..Iπ-helixtrans-94-25-178.3-56.60000113.6V106 C114V106-C110 HydrophobicContact CG1-CB 4.32Å; V106-C110 WeakPolarHBondContact O-CA 3.43Å; V106-C110 WeakPolarHBondContact O-CB 3.01Å; V106-C110 PolarHBondContact O-N 2.91Å; C110-C114 WeakPolarHBondContact O-CB 3.02Å; C110-C114 PolarHBondContact O-SG 2.85Å
111C63.9Low66.2Low55 Ų5595.3 Ų95.337%0.37251%0.505SS..Iπ-helixtrans-112.1-15.1-178.2-45.50000114.6R6 C107R6-C111 PolarHBondContact NH1-O 3.16Å; R6-C111 PolarHBondContact NH2-O 3.25Å; C107-C111 VanDerWaalsContact O-CA 3.32Å; C107-C111 WeakPolarHBondContact O-CA 3.39Å; C107-C111 WeakPolarHBondContact O-CB 3.47Å; C107-C111 PolarHBondContact O-N 3.49Å
112C58.6Low65.5Low47 Ų4796.4 Ų96.432%0.31851%0.506SS..Iπ-helixtrans-104-24.1171.5-53.80000113.1R6 C107 M108R6-C112 PolarHBondContact NH1-SG 3.29Å; R6-C112 VanDerWaalsContact NH1-SG 3.35Å; C107-C112 PolarHBondContact O-N 2.95Å; M108-C112 WeakPolarHBondContact O-CB 3.3Å; M108-C112 PolarHBondContact O-N 3.41Å
113K50Low65.1Low134 Ų13496.6 Ų96.658%0.58351%0.505SS*.SBendtrans-92-29.2176.7-145.1-178.8174.582.60113.5M108 F109 E115 N116 F117M108-K113 PolarHBondContact O-N 3.46Å; F109-K113 HydrophobicContact CD1-CD 4.45Å; F109-K113 WeakPolarHBondContact O-CB 3.48Å; K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 2.93Å; K113-N116 PolarHBondContact O-N 3Å; K113-F117 PolarHBondContact O-N 3.26Å
114C44.5Very low65.2Low79 Ų7996 Ų9653%0.53450%0.5SS..Hα-helixtrans-76.2-17.2179.6-62.10000114.2C110 N116C110-C114 WeakPolarHBondContact O-CB 3.02Å; C110-C114 PolarHBondContact O-SG 2.85Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.39Å
115E51Low65.4Low118 Ų11897.7 Ų97.755%0.55150%0.504SS*.Hα-helixtrans-70.2-25.3172.1-160.1171.4152.800111.4K113 S119K113-E115 VanDerWaalsContact C-N 3.34Å; K113-E115 PolarHBondContact O-N 2.93Å; E115-S119 WeakPolarHBondContact O-CB 2.97Å; E115-S119 PolarHBondContact O-OG 3.4Å
116N48.1Very low65.7Low116 Ų11698.1 Ų98.162%0.6251%0.506SS*.Hα-helixtrans-99.4-22.7-178.8-82-28.5000114.7K113 C114K113-N116 PolarHBondContact O-N 3Å; C114-N116 VanDerWaalsContact C-N 3.25Å; C114-N116 PolarHBondContact O-N 3.39Å
117F49.2Very low66.1Low188 Ų188100.5 Ų100.583%0.82551%0.512SS*.Hα-helixtrans-88.6-19.2-170.4-151.4-101.5000114.5K113K113-F117 PolarHBondContact O-N 3.26Å
118G54.3Low66.9Low46 Ų46107 Ų10747%0.47453%0.529SS..SBendtrans-122.5-31.7-176.600000116
119S61.8Low67.9Low39 Ų39108 Ų10827%0.27353%0.533SS..Hα-helixtrans-66.5-47.6-175.461.20000111.9E115 R121 F122 E123E115-S119 WeakPolarHBondContact O-CB 2.97Å; E115-S119 PolarHBondContact O-OG 3.4Å; S119-R121 VanDerWaalsContact C-N 3.31Å; S119-R121 PolarHBondContact O-N 2.93Å; S119-F122 CarbonylContact O-C 3.4Å; S119-F122 PolarHBondContact O-N 3.37Å; S119-E123 WeakPolarHBondContact O-CB 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.74Å
120Q64.8Low69.3Low117 Ų117105.1 Ų105.155%0.54753%0.53SS..Hα-helixtrans-55.1-43-174.9-71.3-78.312.900112.7A124Q120-A124 WeakPolarHBondContact O-CB 3.29Å; Q120-A124 PolarHBondContact O-N 3Å
121R70.6Confident70.6Confident189 Ų189106 Ų10671%0.71353%0.531SS*.Hα-helixtrans-71.9-34.5179.3-168.4178.1-172.7-167.83.1112.1S119 K125S119-R121 VanDerWaalsContact C-N 3.31Å; S119-R121 PolarHBondContact O-N 2.93Å; R121-K125 VanDerWaalsContact O-CG 3.3Å; R121-K125 WeakPolarHBondContact O-CG 3.27Å; R121-K125 PolarHBondContact O-N 3.08Å
122F74.3Confident72.1Confident131 Ų131110.2 Ų110.258%0.57554%0.542SS*.Hα-helixtrans-74.7-45.2177.8-179.4-99.6000111.4S119 K125 M126S119-F122 CarbonylContact O-C 3.4Å; S119-F122 PolarHBondContact O-N 3.37Å; F122-K125 WeakPolarHBondContact O-CB 3.23Å; F122-K125 PolarHBondContact O-N 3.09Å; F122-M126 HydrophobicContact CE1-CE 3.79Å; F122-M126 HydrophobicContact CZ-CE 3.99Å; F122-M126 PolarHBondContact O-N 2.92Å
123E79.5Confident73.6Confident110 Ų110111.6 Ų111.651%0.51455%0.549SS..Hα-helixtrans-60.6-46.3174.6-73.8-177.6168.600111.4S119 K125 M126 Q127S119-E123 WeakPolarHBondContact O-CB 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.74Å; E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.07Å; E123-M126 PolarHBondContact O-N 3.11Å; E123-M126 VanDerWaalsContact O-N 3.14Å; E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3.47Å
124A83.9Confident75.8Confident43 Ų43111 Ų11136%0.35555%0.547SS..Hα-helixtrans-60.7-35.4175.700000112.5Q120 R128Q120-A124 WeakPolarHBondContact O-CB 3.29Å; Q120-A124 PolarHBondContact O-N 3Å; A124-R128 WeakPolarHBondContact O-CB 2.83Å; A124-R128 VanDerWaalsContact O-CG 3.22Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.14Å; A124-R128 VanDerWaalsContact O-N 3.14Å
125K85.3Confident78.2Confident118 Ų118110.8 Ų110.851%0.51354%0.543SS..Hα-helixtrans-68.8-45.2173.8-79177.9178.2-176.20111.6R121 F122 E123 R128 Q129R121-K125 VanDerWaalsContact O-CG 3.3Å; R121-K125 WeakPolarHBondContact O-CG 3.27Å; R121-K125 PolarHBondContact O-N 3.08Å; F122-K125 WeakPolarHBondContact O-CB 3.23Å; F122-K125 PolarHBondContact O-N 3.09Å; E123-K125 VanDerWaalsContact C-N 3.26Å; E123-K125 PolarHBondContact O-N 3.07Å; K125-R128 PolarHBondContact O-N 3.42Å; K125-Q129 PolarHBondContact O-N 3.34Å
126M87.4Confident80.3Confident108 Ų108111.4 Ų111.453%0.53254%0.544SS..Hα-helixtrans-63-43.6178.6-176.1179.8-87.600111.2F122 E123 R128 Q129 A130F122-M126 HydrophobicContact CE1-CE 3.79Å; F122-M126 HydrophobicContact CZ-CE 3.99Å; F122-M126 PolarHBondContact O-N 2.92Å; E123-M126 PolarHBondContact O-N 3.11Å; E123-M126 VanDerWaalsContact O-N 3.14Å; M126-R128 PolarHBondContact O-N 3.12Å; M126-Q129 PolarHBondContact O-N 3.21Å; M126-Q129 VanDerWaalsContact O-N 3.17Å; M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.39Å
127Q89.1Confident82.5Confident128 Ų128110.9 Ų110.960%0.59854%0.538SS*.Hα-helixtrans-65.2-38.5178.6-159.4174.315.800111.7E123 Q129 A130 N131E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3.47Å; Q127-Q129 PolarHBondContact O-N 2.96Å; Q127-A130 PolarHBondContact O-N 3.41Å; Q127-N131 WeakPolarHBondContact O-CB 2.94Å; Q127-N131 PolarHBondContact O-N 3.05Å; Q127-N131 PolarHBondContact O-ND2 3.24Å
128R89.8Confident84.7Confident184 Ų184105.8 Ų105.869%0.69452%0.519SS*.Hα-helixtrans-62.4-40.7172.1-77.2173.8-177.8-164.11.2112.4A124 K125 M126 K132A124-R128 WeakPolarHBondContact O-CB 2.83Å; A124-R128 VanDerWaalsContact O-CG 3.22Å; A124-R128 WeakPolarHBondContact O-CG 3.23Å; A124-R128 PolarHBondContact O-N 3.14Å; A124-R128 VanDerWaalsContact O-N 3.14Å; K125-R128 PolarHBondContact O-N 3.42Å; M126-R128 PolarHBondContact O-N 3.12Å; R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 2.93Å; R128-K132 VanDerWaalsContact O-N 3.1Å
129Q91.1Very high86.6Confident134 Ų134109.8 Ų109.863%0.62653%0.525SS*.Hα-helixtrans-68.5-44.3176.9-74.4176.5-25.200111.7K125 M126 Q127 N131 K132 T133K125-Q129 PolarHBondContact O-N 3.34Å; M126-Q129 PolarHBondContact O-N 3.21Å; M126-Q129 VanDerWaalsContact O-N 3.17Å; Q127-Q129 PolarHBondContact O-N 2.96Å; Q129-N131 VanDerWaalsContact C-N 3.34Å; Q129-N131 PolarHBondContact O-N 3.02Å; Q129-K132 PolarHBondContact O-N 2.82Å; Q129-T133 PolarHBondContact O-N 3.06Å; Q129-T133 PolarHBondContact O-OG1 2.92Å
130A93.1Very high88.2Confident55 Ų55115 Ų11546%0.45554%0.539SS..Hα-helixtrans-59.3-44.9176.100000111.6M126 Q127 K132 T133 K134M126-A130 WeakPolarHBondContact O-CB 3.44Å; M126-A130 PolarHBondContact O-N 3.39Å; Q127-A130 PolarHBondContact O-N 3.41Å; A130-K132 PolarHBondContact O-N 3.49Å; A130-T133 PolarHBondContact O-N 3.05Å; A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.89Å
131N92.9Very high89.6Confident88 Ų88117 Ų11747%0.47154%0.542SS..Hα-helixtrans-61.5-43.9176.3-73-15.5000111.8Q127 Q129 T133 K134 T135Q127-N131 WeakPolarHBondContact O-CB 2.94Å; Q127-N131 PolarHBondContact O-N 3.05Å; Q127-N131 PolarHBondContact O-ND2 3.24Å; Q129-N131 VanDerWaalsContact C-N 3.34Å; Q129-N131 PolarHBondContact O-N 3.02Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 PolarHBondContact O-N 3.3Å; N131-K134 PolarHBondContact O-N 3.11Å; N131-T135 WeakPolarHBondContact O-CG2 3.22Å; N131-T135 PolarHBondContact O-N 2.75Å; N131-T135 PolarHBondContact O-OG1 2.93Å
132K93.9Very high90.7Very high143 Ų143110.9 Ų110.962%0.62253%0.531SS*.Hα-helixtrans-61.2-37.6175.8-75.6179.2179.9-170.40113R128 Q129 A130 T135 K136R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 2.93Å; R128-K132 VanDerWaalsContact O-N 3.1Å; Q129-K132 PolarHBondContact O-N 2.82Å; A130-K132 PolarHBondContact O-N 3.49Å; K132-T135 PolarHBondContact O-OG1 3.1Å; K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 3.42Å
133T91.8Very high91.8Very high75 Ų75110.2 Ų110.246%0.4653%0.53SS..Hα-helixtrans-71.1-41.7177.1-58.40000110.8Q129 A130 N131 K136 Q137Q129-T133 PolarHBondContact O-N 3.06Å; Q129-T133 PolarHBondContact O-OG1 2.92Å; A130-T133 PolarHBondContact O-N 3.05Å; N131-T133 VanDerWaalsContact C-N 3.31Å; N131-T133 PolarHBondContact O-N 3.3Å; T133-K136 PolarHBondContact O-N 3.46Å; T133-Q137 WeakPolarHBondContact O-CG 3.14Å; T133-Q137 PolarHBondContact O-N 3.42Å
134K95.6Very high92.4Very high123 Ų123110.2 Ų110.254%0.53553%0.531SS..Hα-helixtrans-63.4-46.7178-172.2175.5178.6-179.40111.6A130 N131 K136 Q137 D138A130-K134 WeakPolarHBondContact O-CB 3.48Å; A130-K134 PolarHBondContact O-N 2.89Å; N131-K134 PolarHBondContact O-N 3.11Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 3.29Å; K134-Q137 WeakPolarHBondContact O-CB 3.35Å; K134-Q137 PolarHBondContact O-N 3.29Å; K134-D138 PolarHBondContact O-N 2.84Å
135T94.4Very high92.7Very high73 Ų73112.2 Ų112.245%0.44854%0.536SS..Hα-helixtrans-59.1-43176.956.40000111.6N131 K132 Q137 D138 E139N131-T135 WeakPolarHBondContact O-CG2 3.22Å; N131-T135 PolarHBondContact O-N 2.75Å; N131-T135 PolarHBondContact O-OG1 2.93Å; K132-T135 PolarHBondContact O-OG1 3.1Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.22Å; T135-D138 PolarHBondContact O-N 3Å; T135-E139 WeakPolarHBondContact O-CB 3.22Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 2.72Å
136K95.3Very high93Very high132 Ų132112.8 Ų112.857%0.57454%0.539SS*.Hα-helixtrans-65.9-30.4175.2-72.9-177.9178-169.20113.6K132 T133 K134 R140K132-K136 WeakPolarHBondContact O-CG 3.45Å; K132-K136 PolarHBondContact O-N 3.42Å; T133-K136 PolarHBondContact O-N 3.46Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 3.29Å; K136-R140 WeakPolarHBondContact O-CG 3.46Å; K136-R140 PolarHBondContact O-N 3.08Å; K136-R140 PolarHBondContact O-NE 2.04Å; K136-R140 VanDerWaalsContact O-NE 3.09Å
137Q94.8Very high93.3Very high105 Ų105114.5 Ų114.549%0.49154%0.539SS..Hα-helixtrans-72.5-43.6173.9-77.4176.8-16.500110.9T133 K134 T135 R140 R141T133-Q137 WeakPolarHBondContact O-CG 3.14Å; T133-Q137 PolarHBondContact O-N 3.42Å; K134-Q137 WeakPolarHBondContact O-CB 3.35Å; K134-Q137 PolarHBondContact O-N 3.29Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 3.22Å; Q137-R140 PolarHBondContact O-N 3.43Å; Q137-R141 WeakPolarHBondContact O-CB 3.39Å; Q137-R141 PolarHBondContact O-N 3.5Å
138D94.8Very high93.4Very high81 Ų81113.7 Ų113.743%0.43354%0.535SS..Hα-helixtrans-65.3-40.1178.5-67.9-23.5000111.3K134 T135 R141 A142K134-D138 PolarHBondContact O-N 2.84Å; T135-D138 PolarHBondContact O-N 3Å; D138-R141 PolarHBondContact O-N 2.99Å; D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.78Å
139E95.3Very high93.3Very high129 Ų129110.7 Ų110.760%0.60353%0.529SS*.Hα-helixtrans-59.3-49.2172.6-78.3171.2-179.500111.8T135 R141 A142 E143T135-E139 WeakPolarHBondContact O-CB 3.22Å; T135-E139 VanDerWaalsContact O-CG 3.31Å; T135-E139 WeakPolarHBondContact O-CG 3.46Å; T135-E139 PolarHBondContact O-N 2.72Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.33Å; E139-A142 PolarHBondContact O-N 3.38Å; E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 PolarHBondContact O-N 3.46Å
140R95.6Very high93.3Very high149 Ų149108.1 Ų108.156%0.56252%0.517SS*.Hα-helixtrans-62-39176.6-75.4-177.6-70.3-167.63112.1K136 Q137 M144K136-R140 WeakPolarHBondContact O-CG 3.46Å; K136-R140 PolarHBondContact O-N 3.08Å; K136-R140 PolarHBondContact O-NE 2.04Å; K136-R140 VanDerWaalsContact O-NE 3.09Å; Q137-R140 PolarHBondContact O-N 3.43Å; R140-M144 WeakPolarHBondContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CG 3.32Å; R140-M144 PolarHBondContact O-N 2.93Å
141R93.4Very high93.2Very high160 Ų160110.1 Ų110.160%0.60452%0.519SS*.Hα-helixtrans-67.4-41.4176.9-169.3175.3-175.4178.2-0.4111.4Q137 D138 E139 N145Q137-R141 WeakPolarHBondContact O-CB 3.39Å; Q137-R141 PolarHBondContact O-N 3.5Å; D138-R141 PolarHBondContact O-N 2.99Å; E139-R141 VanDerWaalsContact C-N 3.31Å; E139-R141 PolarHBondContact O-N 3.33Å; R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.49Å
142A94.5Very high93Very high60 Ų60109 Ų10950%0.49651%0.508SS..Hα-helixtrans-66.4-42.5176.900000111.8D138 E139 N145 K146D138-A142 VanDerWaalsContact O-CB 3.31Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 2.78Å; E139-A142 PolarHBondContact O-N 3.38Å; A142-N145 PolarHBondContact O-N 2.77Å; A142-K146 WeakPolarHBondContact O-CB 3.49Å; A142-K146 PolarHBondContact O-N 3.49Å
143E95.4Very high92.8Very high117 Ų117108.5 Ų108.555%0.54751%0.508SS..Hα-helixtrans-61.1-49.5175-175.9-179.5-179.500111.1E139 N145 K146 R147E139-E143 WeakPolarHBondContact O-CB 3.08Å; E139-E143 PolarHBondContact O-N 3.46Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 2.83Å; E143-K146 PolarHBondContact O-N 3.13Å; E143-R147 WeakPolarHBondContact O-CG 3.31Å; E143-R147 PolarHBondContact O-N 2.02Å
144M93.1Very high92.8Very high109 Ų109112.7 Ų112.754%0.53752%0.52SS..Hα-helixtrans-57.1-46.1175.8-76.6-68.4-71.900111.4R140 K146 R147 H148R140-M144 WeakPolarHBondContact O-CB 3.23Å; R140-M144 WeakPolarHBondContact O-CG 3.32Å; R140-M144 PolarHBondContact O-N 2.93Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 2.68Å; M144-R147 PolarHBondContact O-N 3.35Å; M144-H148 PolarHBondContact O-N 2.97Å; M144-H148 PolarHBondContact O-ND1 3.29Å
145N89.7Confident92.5Very high85 Ų85114.2 Ų114.246%0.45552%0.523SS..Hα-helixtrans-62.3-41177.7-76.1-9.1000112R141 A142 E143 H148 Q149R141-N145 WeakPolarHBondContact O-CB 3.44Å; R141-N145 PolarHBondContact O-N 3.49Å; A142-N145 PolarHBondContact O-N 2.77Å; E143-N145 VanDerWaalsContact C-N 3.33Å; E143-N145 PolarHBondContact O-N 2.83Å; N145-H148 PolarHBondContact O-N 2.83Å; N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.23Å
146K92.9Very high92.1Very high131 Ų131113.4 Ų113.457%0.5753%0.529SS*.Hα-helixtrans-62.8-47.1177.2-171.7-175.8176.8-173.30111.3A142 E143 M144 H148 Q149 E150A142-K146 WeakPolarHBondContact O-CB 3.49Å; A142-K146 PolarHBondContact O-N 3.49Å; E143-K146 PolarHBondContact O-N 3.13Å; M144-K146 VanDerWaalsContact C-N 3.34Å; M144-K146 PolarHBondContact O-N 2.68Å; K146-H148 VanDerWaalsContact C-N 3.31Å; K146-H148 PolarHBondContact O-N 3.16Å; K146-Q149 PolarHBondContact O-N 2.92Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.01Å; K146-E150 PolarHBondContact O-N 2.86Å
147R93.7Very high91.6Very high143 Ų143111.8 Ų111.854%0.5453%0.527SS..Hα-helixtrans-58.2-42.8174.5-68.5-61.8-166.9179.66.6112.1E143 M144 Q149 E150 I151E143-R147 WeakPolarHBondContact O-CG 3.31Å; E143-R147 PolarHBondContact O-N 2.02Å; M144-R147 PolarHBondContact O-N 3.35Å; R147-Q149 VanDerWaalsContact C-N 3.35Å; R147-Q149 PolarHBondContact O-N 3.14Å; R147-E150 IonicContact NH1-OE2 3.45Å; R147-E150 PolarHBondContact NH1-OE2 2.84Å; R147-E150 PolarHBondContact O-N 3.21Å; R147-I151 WeakPolarHBondContact O-CG1 3.4Å; R147-I151 PolarHBondContact O-N 3.5Å; R147-I151 VanDerWaalsContact O-N 3.08Å
148H89.6Confident90.7Very high112 Ų112112.7 Ų112.752%0.51954%0.535SS..Hα-helixtrans-62.5-41.5176-80.281.9000112M144 N145 K146 I151 R152M144-H148 PolarHBondContact O-N 2.97Å; M144-H148 PolarHBondContact O-ND1 3.29Å; N145-H148 PolarHBondContact O-N 2.83Å; K146-H148 VanDerWaalsContact C-N 3.31Å; K146-H148 PolarHBondContact O-N 3.16Å; H148-I151 PolarHBondContact O-N 3.43Å; H148-R152 VanDerWaalsContact O-CB 3.31Å; H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.27Å
149Q89Confident90.1Very high121 Ų121111 Ų11157%0.56554%0.536SS*.Hα-helixtrans-66.9-41.9176.9-73177.30.300112.2N145 K146 R147 I151 R152 Q153N145-Q149 WeakPolarHBondContact O-CG 3.49Å; N145-Q149 PolarHBondContact O-N 3.23Å; K146-Q149 PolarHBondContact O-N 2.92Å; K146-Q149 VanDerWaalsContact O-N 3.14Å; R147-Q149 VanDerWaalsContact C-N 3.35Å; R147-Q149 PolarHBondContact O-N 3.14Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.13Å; Q149-R152 WeakPolarHBondContact O-CB 2.98Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.15Å; Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.36Å
150E91.4Very high89.2Confident79 Ų79110.8 Ų110.837%0.36955%0.546SS..Hα-helixtrans-57.5-45.1175.2-73.8170.7-173.600111.4K146 R147 Q153 K154K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.01Å; K146-E150 PolarHBondContact O-N 2.86Å; R147-E150 IonicContact NH1-OE2 3.45Å; R147-E150 PolarHBondContact NH1-OE2 2.84Å; R147-E150 PolarHBondContact O-N 3.21Å; E150-Q153 PolarHBondContact O-N 2.93Å; E150-K154 PolarHBondContact O-N 3.49Å
151I90.6Very high88.4Confident98 Ų98107.5 Ų107.550%0.50354%0.54SS..Hα-helixtrans-61.3-47.7174.6-69168.6000110.3R147 H148 Q149 Q153 K154 Y155R147-I151 WeakPolarHBondContact O-CG1 3.4Å; R147-I151 PolarHBondContact O-N 3.5Å; R147-I151 VanDerWaalsContact O-N 3.08Å; H148-I151 PolarHBondContact O-N 3.43Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 3.13Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.36Å; I151-K154 WeakPolarHBondContact O-CB 3.33Å; I151-K154 PolarHBondContact O-N 3Å; I151-K154 VanDerWaalsContact O-N 3.12Å; I151-Y155 HydrophobicContact CG2-CD2 3.91Å; I151-Y155 HydrophobicContact CG2-CE2 3.97Å; I151-Y155 WeakPolarHBondContact O-CD2 3.05Å; I151-Y155 PolarHBondContact O-N 3.27Å
152R89.1Confident87.8Confident65 Ų65104.6 Ų104.625%0.24554%0.541CS..Hα-helixtrans-61.2-39-177.1-160.1178.6157.6107.86111.7H148 Q149 G156 L157 G159 P160H148-R152 VanDerWaalsContact O-CB 3.31Å; H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.27Å; Q149-R152 WeakPolarHBondContact O-CB 2.98Å; Q149-R152 PolarHBondContact O-N 3.41Å; Q149-R152 VanDerWaalsContact O-N 3.15Å; R152-G156 PolarHBondContact O-N 3.17Å; R152-L157 HydrophobicContact CB-CB 4.44Å; R152-L157 HydrophobicContact CG-CB 3.39Å; R152-L157 HydrophobicContact CG-CD1 4.44Å; R152-L157 VanDerWaalsContact CG-O 3.27Å; R152-L157 WeakPolarHBondContact CG-O 3.44Å; R152-L157 PolarHBondContact NE-O 3.47Å; R152-L157 PolarHBondContact NH2-O 3.21Å; R152-L157 WeakPolarHBondContact O-CB 3.02Å; R152-L157 PolarHBondContact O-N 2.88Å; R152-G159 PolarHBondContact NH2-O 3.24Å; R152-P160 PolarHBondContact NH2-O 2.86Å
153Q88.3Confident86.8Confident132 Ų132109.8 Ų109.862%0.61755%0.55SS*.Hα-helixtrans-66-43.2173-72.7178.40.200112.4Q149 E150 I151 Y155 G156Q149-Q153 WeakPolarHBondContact O-CG 3.4Å; Q149-Q153 PolarHBondContact O-N 3.36Å; E150-Q153 PolarHBondContact O-N 2.93Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 3.36Å; Q153-Y155 PolarHBondContact O-N 3.26Å; Q153-G156 PolarHBondContact O-N 2.02Å; Q153-G156 VanDerWaalsContact O-N 3.08Å
154K92.5Very high85.8Confident163 Ų163106.9 Ų106.971%0.70955%0.546SS*.Hα-helixtrans-57.2-34.8178.9-174.8-178.5178.6-174.70113E150 I151E150-K154 PolarHBondContact O-N 3.49Å; I151-K154 WeakPolarHBondContact O-CB 3.33Å; I151-K154 PolarHBondContact O-N 3Å; I151-K154 VanDerWaalsContact O-N 3.12Å
155Y89.2Confident85.2Confident154 Ų154111.5 Ų111.560%0.60456%0.557SS**THydrogen-bonded Turntrans-99.814.6-179.8-63.5-77000113.7I151 Q153 L157I151-Y155 HydrophobicContact CG2-CD2 3.91Å; I151-Y155 HydrophobicContact CG2-CE2 3.97Å; I151-Y155 WeakPolarHBondContact O-CD2 3.05Å; I151-Y155 PolarHBondContact O-N 3.27Å; Q153-Y155 PolarHBondContact O-N 3.26Å; Y155-L157 VanDerWaalsContact C-N 3.26Å; Y155-L157 PolarHBondContact O-N 3.09Å
156G85.8Confident84.6Confident56 Ų56114 Ų11458%0.57756%0.564SS**THydrogen-bonded Turntrans70.215.7174.800000115.3R152 Q153 N158R152-G156 PolarHBondContact O-N 3.17Å; Q153-G156 PolarHBondContact O-N 2.02Å; Q153-G156 VanDerWaalsContact O-N 3.08Å; G156-N158 PolarHBondContact O-N 3.26Å
157L84.9Confident83.2Confident99 Ų99114.7 Ų114.752%0.51859%0.585SS.*  trans-82.246.2-178.6-72158.8000111.8R152 Y155 G159R152-L157 HydrophobicContact CB-CB 4.44Å; R152-L157 HydrophobicContact CG-CB 3.39Å; R152-L157 HydrophobicContact CG-CD1 4.44Å; R152-L157 VanDerWaalsContact CG-O 3.27Å; R152-L157 WeakPolarHBondContact CG-O 3.44Å; R152-L157 PolarHBondContact NE-O 3.47Å; R152-L157 PolarHBondContact NH2-O 3.21Å; R152-L157 WeakPolarHBondContact O-CB 3.02Å; R152-L157 PolarHBondContact O-N 2.88Å; Y155-L157 VanDerWaalsContact C-N 3.26Å; Y155-L157 PolarHBondContact O-N 3.09Å; L157-G159 PolarHBondContact O-N 2.94Å; L157-G159 VanDerWaalsContact O-N 3.1Å
158N76.8Confident82.7Confident124 Ų124113.3 Ų113.366%0.66359%0.588SS**  trans-73.3-2-169.7-64.9-17.4000115.1G156G156-N158 PolarHBondContact O-N 3.26Å
159G80.8Confident82.3Confident45 Ų45113.3 Ų113.346%0.46459%0.591SS.*SBendtrans-74.6-179.8178.300000114.1R152 L157R152-G159 PolarHBondContact NH2-O 3.24Å; L157-G159 PolarHBondContact O-N 2.94Å; L157-G159 VanDerWaalsContact O-N 3.1Å
160P77.4Confident81.9Confident124 Ų124112.9 Ų112.981%0.80559%0.593SS**  trans-60.1144.1171.5-18.930.7000111.7R152 P162R152-P160 PolarHBondContact NH2-O 2.86Å; P160-P162 VanDerWaalsContact O-CD 3.3Å; P160-P162 WeakPolarHBondContact O-CD 3.35Å
161N78.5Confident81.4Confident81 Ų81114.9 Ų114.943%0.43361%0.606SS.*  trans-72.1118.5172-177.9-1000109.1Y163 A164N161-Y163 PolarHBondContact O-N 3.09Å; N161-Y163 PolarHBondContact OD1-N 3.3Å; N161-Y163 VanDerWaalsContact OD1-N 3.09Å; N161-A164 HydrophobicContact CB-CB 4.17Å; N161-A164 VanDerWaalsContact O-CB 3.31Å; N161-A164 WeakPolarHBondContact O-CB 3.45Å; N161-A164 PolarHBondContact O-N 2.02Å
162P80Confident80.8Confident98 Ų98115.9 Ų115.964%0.63661%0.612SS**G310 helixtrans-57.2-25.6-179.9-23.634.1000113.3P160P160-P162 VanDerWaalsContact O-CD 3.3Å; P160-P162 WeakPolarHBondContact O-CD 3.35Å
163Y74.4Confident80.2Confident170 Ų170119.3 Ų119.367%0.66764%0.637SS**G310 helixtrans-90.5-3.9-179.8-64.5-80.5000114.3N161 R165 F166N161-Y163 PolarHBondContact O-N 3.09Å; N161-Y163 PolarHBondContact OD1-N 3.3Å; N161-Y163 VanDerWaalsContact OD1-N 3.09Å; Y163-R165 PolarHBondContact O-N 3.45Å; Y163-R165 VanDerWaalsContact O-N 3.15Å; Y163-F166 HydrophobicContact CD1-CD2 4.18Å; Y163-F166 HydrophobicContact CD1-CE2 4.31Å; Y163-F166 PolarHBondContact O-N 2.67Å; Y163-F166 VanDerWaalsContact O-N 3.15Å
164A75Confident79.7Confident56 Ų56118.4 Ų118.446%0.46364%0.638SS.*G310 helixtrans-64-17.4177.200000113.2N161 F166 S167N161-A164 HydrophobicContact CB-CB 4.17Å; N161-A164 VanDerWaalsContact O-CB 3.31Å; N161-A164 WeakPolarHBondContact O-CB 3.45Å; N161-A164 PolarHBondContact O-N 2.02Å; A164-F166 PolarHBondContact O-N 2.74Å; A164-S167 PolarHBondContact O-OG 2.73Å
165R80.1Confident78.7Confident205 Ų205115 Ų11577%0.77463%0.633SS**G310 helixtrans-70.8-14.1175.883.8176.8-154.1177.34.5114Y163Y163-R165 PolarHBondContact O-N 3.45Å; Y163-R165 VanDerWaalsContact O-N 3.15Å
166F76.9Confident77.8Confident138 Ų138111.8 Ų111.861%0.60564%0.635SS**G310 helixtrans-109.32.4-174.5-58-73.1000113.2Y163 A164Y163-F166 HydrophobicContact CD1-CD2 4.18Å; Y163-F166 HydrophobicContact CD1-CE2 4.31Å; Y163-F166 PolarHBondContact O-N 2.67Å; Y163-F166 VanDerWaalsContact O-N 3.15Å; A164-F166 PolarHBondContact O-N 2.74Å
167S63Low77.1Confident145 Ų145116.8 Ų116.8100%1.01464%0.64SS**  trans-99.10-176.863.80000113.5A164A164-S167 PolarHBondContact O-OG 2.73Å

Retrieved 167 of 167 residues in 162.2 ms (Link to these results)