A0A5K4FBB0_SCHMA Loading...

Low affinity cationic amino acid transporter AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M44.4Very low59.4Low244 Ų244153 Ų153100%1.20281%0.813SS**  0119.70-69.116771.100106.6
2I55.5Low60Low167 Ų167143.3 Ų143.386%0.85678%0.777SS**  trans-73140.3-159.4-66.7160000110.9S4I2-S4 PolarHBondContact O-N 3.34Å
3T56.6Low60.7Low127 Ų127144.2 Ų144.278%0.77978%0.778SS**  trans-59.4111.3179.348.40000112.4
4S62.8Low61.2Low109 Ų109147.4 Ų147.476%0.76278%0.782SS**  trans-107.670.916359.10000108.4I2 P6I2-S4 PolarHBondContact O-N 3.34Å; S4-P6 WeakPolarHBondContact O-CD 3.39Å
5V61.4Low61.5Low124 Ų124149.5 Ų149.575%0.75278%0.782SS**  trans-71.1115.5163.6178.50000105L7V5-L7 PolarHBondContact O-N 2.67Å
6P57Low61.8Low99 Ų99149.7 Ų149.764%0.64378%0.778SS**  trans-62126.4-174.425.6-30.6000107.1S4 L8S4-P6 WeakPolarHBondContact O-CD 3.39Å; P6-L8 PolarHBondContact O-N 3.17Å
7L60.3Low62.1Low165 Ų165151.4 Ų151.486%0.86479%0.787SS**  trans-56.781.3170.4-153.191.5000106.7V5 F9V5-L7 PolarHBondContact O-N 2.67Å; L7-F9 PolarHBondContact O-N 2.78Å
8L61.1Low62.7Low149 Ų149150.2 Ų150.278%0.7878%0.781SS**  trans-56.8107.5178.6-97.9153000105.2P6 I10P6-L8 PolarHBondContact O-N 3.17Å; L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 2.88Å
9F63.1Low63.9Low172 Ų172145.2 Ų145.275%0.75476%0.76SS**  trans-45.796179.3-92-96.3000109.4L7 F11L7-F9 PolarHBondContact O-N 2.78Å; F9-F11 HydrophobicContact CB-CD2 3.92Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 AromaticContact CD1-CD2 3.56Å; F9-F11 HydrophobicContact CD1-CD2 3.56Å; F9-F11 AromaticContact CD1-CE2 3.15Å; F9-F11 HydrophobicContact CD1-CE2 3.15Å; F9-F11 HydrophobicContact CD1-CZ 4.02Å; F9-F11 HydrophobicContact CE1-CD2 4.43Å; F9-F11 AromaticContact CE1-CE2 3.6Å; F9-F11 HydrophobicContact CE1-CE2 3.6Å; F9-F11 HydrophobicContact CE1-CZ 4.14Å; F9-F11 HydrophobicContact CG-CD2 4.16Å; F9-F11 HydrophobicContact CG-CE2 4.07Å; F9-F11 PolarHBondContact O-N 2.84Å
10I66.7Low65.4Low163 Ų163140.1 Ų140.184%0.83673%0.733SS**  trans-72.675.5161.9-55-179.6000104.5L8 G12L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 2.88Å; I10-G12 PolarHBondContact O-N 2.84Å
11F65Low67Low164 Ų164135.7 Ų135.772%0.71971%0.709SS**  trans-68.479.9154.9-89.3-76.7000105.2F9 I13F9-F11 HydrophobicContact CB-CD2 3.92Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 AromaticContact CD1-CD2 3.56Å; F9-F11 HydrophobicContact CD1-CD2 3.56Å; F9-F11 AromaticContact CD1-CE2 3.15Å; F9-F11 HydrophobicContact CD1-CE2 3.15Å; F9-F11 HydrophobicContact CD1-CZ 4.02Å; F9-F11 HydrophobicContact CE1-CD2 4.43Å; F9-F11 AromaticContact CE1-CE2 3.6Å; F9-F11 HydrophobicContact CE1-CE2 3.6Å; F9-F11 HydrophobicContact CE1-CZ 4.14Å; F9-F11 HydrophobicContact CG-CD2 4.16Å; F9-F11 HydrophobicContact CG-CE2 4.07Å; F9-F11 PolarHBondContact O-N 2.84Å; F11-I13 PolarHBondContact O-N 2.78Å; F11-I13 VanDerWaalsContact O-N 3.08Å
12G66Low69.5Low37 Ų37124.1 Ų124.138%0.38165%0.651SS.*  trans-53.7118166.200000106I10 F14I10-G12 PolarHBondContact O-N 2.84Å; G12-F14 VanDerWaalsContact O-CD2 3.26Å; G12-F14 WeakPolarHBondContact O-CD2 3.26Å; G12-F14 PolarHBondContact O-N 3.08Å
13I69.5Low71.6Confident154 Ų154117.7 Ų117.779%0.7962%0.617SS**  trans-66.488.2170.7-54.8177.5000104.7F11 K15F11-I13 PolarHBondContact O-N 2.78Å; F11-I13 VanDerWaalsContact O-N 3.08Å; I13-K15 HydrophobicContact CG2-CG 4.31Å; I13-K15 PolarHBondContact O-N 2.84Å
14F66.8Low73.6Confident189 Ų189112.9 Ų112.983%0.82959%0.587SS**  trans-64.693.2165.5-69-83.6000104.9G12 E16G12-F14 VanDerWaalsContact O-CD2 3.26Å; G12-F14 WeakPolarHBondContact O-CD2 3.26Å; G12-F14 PolarHBondContact O-N 3.08Å; F14-E16 PolarHBondContact O-N 2.92Å
15K66.1Low75.3Confident180 Ų180108.5 Ų108.578%0.78356%0.556SS**  trans-62.7101.8158.5-69.5-169.1177.6-171.40103.8I13 L17I13-K15 HydrophobicContact CG2-CG 4.31Å; I13-K15 PolarHBondContact O-N 2.84Å; K15-L17 PolarHBondContact O-N 2.94Å
16E66.3Low77Confident152 Ų152112.3 Ų112.371%0.7156%0.557SS**  trans-49.6113.9164.9-70.8179.7170.900105.2F14 L18F14-E16 PolarHBondContact O-N 2.92Å; E16-L18 HydrophobicContact CB-CD1 4.43Å; E16-L18 HydrophobicContact CB-CD2 4.27Å; E16-L18 HydrophobicContact CB-CG 3.9Å; E16-L18 PolarHBondContact O-N 2.76Å
17L67.2Low78.7Confident178 Ų178112.7 Ų112.793%0.93255%0.554SS**  trans-74.769.4177.8-147.4106.6000105.6K15 S19K15-L17 PolarHBondContact O-N 2.94Å; L17-S19 PolarHBondContact O-N 3.28Å
18L73.7Confident80.4Confident130 Ų130107.9 Ų107.968%0.68153%0.527SS*.PPolyproline II helixtrans-68.9121177.8-67.1172.9000106.3E16 M20E16-L18 HydrophobicContact CB-CD1 4.43Å; E16-L18 HydrophobicContact CB-CD2 4.27Å; E16-L18 HydrophobicContact CB-CG 3.9Å; E16-L18 PolarHBondContact O-N 2.76Å; L18-M20 PolarHBondContact O-N 2.89Å
19S85.6Confident82Confident56 Ų56104.6 Ų104.639%0.39251%0.507SS..PPolyproline II helixtrans-58.7128.4169.1-166.80000108.1L17 C42L17-S19 PolarHBondContact O-N 3.28Å; S19-C42 PolarHBondContact OG-O 3.35Å
20M93.7Very high83.4Confident43 Ų4396.7 Ų96.721%0.21247%0.474CS..PPolyproline II helixtrans-60.5141.9176.3-171.1-178.17000109.6L18 C42 E46 H47 G108L18-M20 PolarHBondContact O-N 2.89Å; M20-C42 HydrophobicContact CE-CB 4.38Å; M20-C42 WeakPolarHBondContact O-CB 3.29Å; M20-C42 PolarHBondContact O-N 2.98Å; M20-C42 PolarHBondContact O-SG 3.4Å; M20-C42 VanDerWaalsContact O-SG 3.4Å; M20-E46 WeakPolarHBondContact CE-O 3.47Å; M20-H47 VanDerWaalsContact CE-C 3.41Å; M20-G108 PolarHBondContact SD-N 3.34Å; M20-G108 VanDerWaalsContact SD-N 3.45Å
21E97.5Very high84.8Confident48 Ų4890.9 Ų90.922%0.22445%0.445CS..EExtended strand (participates in β ladder)trans-115.3141.6177.8-162.7177.4-161.900110.4T39 M40 L110E21-T39 WeakPolarHBondContact OE1-CB 3.3Å; E21-T39 PolarHBondContact OE1-OG1 3.33Å; E21-M40 WeakPolarHBondContact CA-O 3.38Å; E21-M40 WeakPolarHBondContact CG-O 3.48Å; E21-L110 HydrophobicContact CB-CD2 4.05Å; E21-L110 HydrophobicContact CB-CG 4.5Å; E21-L110 HydrophobicContact CG-CD2 3.84Å; E21-L110 PolarHBondContact O-N 3.3Å
22C98.7Very high86.3Confident0 Ų088.6 Ų88.60%044%0.435CS..EExtended strand (participates in β ladder)trans-126155173.9-61.30000110.6T39 M40 C42 C49 C75C22-T39 CarbonylContact O-C 3.58Å; C22-T39 VanDerWaalsContact O-CA 3.25Å; C22-T39 WeakPolarHBondContact O-CA 3.32Å; C22-M40 PolarHBondContact N-O 3.41Å; C22-M40 VanDerWaalsContact N-O 3.12Å; C22-M40 PolarHBondContact O-N 3.35Å; C22-C42 PolarHBondContact SG-SG 2.99Å; C22-C49 HydrophobicContact CB-CB 3.77Å; C22-C49 WeakPolarHBondContact CB-SG 3.4Å; C22-C49 WeakPolarHBondContact SG-CA 3.36Å; C22-C49 WeakPolarHBondContact SG-CB 3.35Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 3.37Å; C22-C75 VanDerWaalsContact SG-SG 3.7Å
23Y98.7Very high87.6Confident33 Ų3391.2 Ų91.213%0.12944%0.44CS..EExtended strand (participates in β ladder)trans-66.5138162.7-69.3-75.7000110I36 T38 T39 K73 L110 N112 Y113Y23-I36 VanDerWaalsContact CE1-O 3.24Å; Y23-I36 WeakPolarHBondContact CE1-O 3.34Å; Y23-T38 WeakPolarHBondContact CA-O 3.42Å; Y23-T39 HydrophobicContact CD1-CG2 3.52Å; Y23-T39 HydrophobicContact CE1-CG2 3.54Å; Y23-T39 HydrophobicContact CG-CG2 4.29Å; Y23-K73 WeakPolarHBondContact O-CB 3.44Å; Y23-L110 HydrophobicContact CD2-CB 4.27Å; Y23-L110 HydrophobicContact CD2-CD2 4.27Å; Y23-L110 HydrophobicContact CE2-CB 3.64Å; Y23-L110 HydrophobicContact CE2-CD2 4.07Å; Y23-L110 HydrophobicContact CE2-CG 4.3Å; Y23-L110 WeakPolarHBondContact CE2-O 3.06Å; Y23-N112 WeakPolarHBondContact CB-OD1 3.31Å; Y23-N112 WeakPolarHBondContact CD2-OD1 3.45Å; Y23-N112 PolarHBondContact N-OD1 2.84Å; Y23-N112 PolarHBondContact O-ND2 3.39Å; Y23-Y113 HydrophobicContact CD2-CD2 4.27Å; Y23-Y113 HydrophobicContact CE1-CD2 4.31Å; Y23-Y113 AromaticContact CE2-CD2 3.51Å; Y23-Y113 HydrophobicContact CE2-CD2 3.51Å; Y23-Y113 HydrophobicContact CE2-CG 4.1Å; Y23-Y113 AromaticContact CZ-CD2 3.55Å
24V98.5Very high88.6Confident26 Ų2690.7 Ų90.716%0.15843%0.432CS..  trans-129.1133.2-179.3-56.40000111.5T38 M40 K73V24-T38 HydrophobicContact CG2-CG2 3.73Å; V24-T38 PolarHBondContact N-O 2.96Å; V24-M40 HydrophobicContact CB-CB 4.41Å; V24-M40 HydrophobicContact CG1-CB 3.58Å; V24-M40 HydrophobicContact CG1-CE 4.32Å; V24-M40 HydrophobicContact CG2-CB 3.92Å; V24-K73 WeakPolarHBondContact CA-O 3.45Å
25C98.3Very high90Very high16 Ų1681.7 Ų81.711%0.10839%0.392CS..EExtended strand (participates in β ladder)trans-163.6153.2-178.695.90000109.8Q28 C35 W72 K73C25-Q28 HydrophobicContact CB-CG 3.86Å; C25-C35 VanDerWaalsContact CB-CA 3.44Å; C25-C35 HydrophobicContact CB-CB 3.53Å; C25-C35 WeakPolarHBondContact CB-SG 3.47Å; C25-C35 WeakPolarHBondContact SG-CB 3.48Å; C25-C35 CovalentContact SG-SG 2.06Å; C25-C35 PolarHBondContact SG-SG 2.99Å; C25-W72 CarbonylContact O-C 3.53Å; C25-W72 VanDerWaalsContact O-CA 3.29Å; C25-W72 WeakPolarHBondContact O-CA 3.36Å; C25-K73 PolarHBondContact N-O 2.05Å; C25-K73 PolarHBondContact O-N 2.93Å
26R96.8Very high91.5Very high205 Ų20574.9 Ų74.977%0.77436%0.364SS*.EExtended strand (participates in β ladder)trans-130.6120.8-180-169.9174.7-177.9-178.80.8112.1Q28R26-Q28 VanDerWaalsContact C-N 3.27Å; R26-Q28 PolarHBondContact O-N 3.18Å; R26-Q28 PolarHBondContact O-NE2 3.22Å
27N93.7Very high92.9Very high107 Ų10774.8 Ų74.857%0.57236%0.362SS*.EExtended strand (participates in β ladder)trans49.444.9176.8-159.338.1000113.2F70 L71N27-F70 WeakPolarHBondContact OD1-CB 3.34Å; N27-L71 CarbonylContact C-O 3.59Å; N27-L71 VanDerWaalsContact CA-O 3.31Å; N27-L71 WeakPolarHBondContact CA-O 3.5Å; N27-L71 PolarHBondContact N-O 2.97Å
28Q95.4Very high94.4Very high64 Ų6469.4 Ų69.430%0.29934%0.336SS..EExtended strand (participates in β ladder)trans-87.2132.8-179.5-63.1-58.4-74.300110.1C25 R26 G30 C35 F70 L71C25-Q28 HydrophobicContact CB-CG 3.86Å; R26-Q28 VanDerWaalsContact C-N 3.27Å; R26-Q28 PolarHBondContact O-N 3.18Å; R26-Q28 PolarHBondContact O-NE2 3.22Å; Q28-G30 PolarHBondContact O-N 3.04Å; Q28-C35 HydrophobicContact CB-CB 4.06Å; Q28-C35 HydrophobicContact CG-CB 4.16Å; Q28-F70 CarbonylContact O-C 3.52Å; Q28-F70 VanDerWaalsContact O-CA 3.31Å; Q28-F70 WeakPolarHBondContact O-CA 3.11Å; Q28-L71 PolarHBondContact N-O 3.37Å; Q28-L71 PolarHBondContact O-N 3.31Å
29E94.5Very high95.6Very high79 Ų7965.7 Ų65.737%0.36932%0.319SS..EExtended strand (participates in β ladder)trans-72111.5173.2-173.9177.6-166.600109.8K32 Y60 T68 F70E29-K32 WeakPolarHBondContact O-CE 3.33Å; E29-Y60 VanDerWaalsContact CD-OH 3.22Å; E29-Y60 PolarHBondContact OE2-OH 3.11Å; E29-T68 HydrophobicContact CG-CG2 3.93Å; E29-T68 WeakPolarHBondContact CG-OG1 3.31Å; E29-T68 WeakPolarHBondContact OE1-CB 3.48Å; E29-T68 WeakPolarHBondContact OE1-CG2 3.28Å; E29-T68 PolarHBondContact OE1-OG1 3.41Å; E29-F70 HydrophobicContact CB-CD1 4.29Å; E29-F70 HydrophobicContact CB-CE1 4.05Å; E29-F70 HydrophobicContact CG-CE1 4.49Å
30G93.4Very high96.1Very high6 Ų667.2 Ų67.26%0.06232%0.321CS..SBendtrans77.7165.3-177.200000115.6Q28 K32 H69Q28-G30 PolarHBondContact O-N 3.04Å; G30-K32 VanDerWaalsContact C-N 3.32Å; G30-K32 PolarHBondContact O-N 3.48Å; G30-H69 VanDerWaalsContact CA-CD2 3.47Å; G30-H69 WeakPolarHBondContact CA-CD2 3.48Å; G30-H69 WeakPolarHBondContact CA-NE2 3.38Å; G30-H69 PolarHBondContact N-O 2.88Å
31N95.9Very high96.3Very high41 Ų4171.7 Ų71.722%0.21934%0.341CS..SBendtrans-91.863178.2-163.545.3000111.2I36 L71 K73 Y113 A115N31-I36 WeakPolarHBondContact OD1-CG2 3.34Å; N31-L71 HydrophobicContact CB-CD2 3.67Å; N31-L71 WeakPolarHBondContact OD1-CD2 3.39Å; N31-K73 WeakPolarHBondContact OD1-CE 3.36Å; N31-Y113 PolarHBondContact ND2-O 3.31Å; N31-A115 HydrophobicContact CB-CB 4.46Å
32K95.9Very high96.3Very high116 Ų11669.7 Ų69.750%0.50433%0.333SS..  trans-141.2172.7-174.663.7-175.7176.8-173.70111.8E29 G30 K34 C35E29-K32 WeakPolarHBondContact O-CE 3.33Å; G30-K32 VanDerWaalsContact C-N 3.32Å; G30-K32 PolarHBondContact O-N 3.48Å; K32-K34 PolarHBondContact O-N 3.17Å; K32-C35 PolarHBondContact O-N 3.09Å
33D93.2Very high96.1Very high92 Ų9275 Ų7549%0.49236%0.361SS..G310 helixtrans47.5-118.2176.9-64.3-49.9000113.2C35 I36 K37D33-C35 PolarHBondContact O-N 2.9Å; D33-C35 VanDerWaalsContact O-N 3.16Å; D33-I36 PolarHBondContact O-N 3.3Å; D33-K37 VanDerWaalsContact O-CB 3.27Å; D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 WeakPolarHBondContact O-CD 3.4Å; D33-K37 WeakPolarHBondContact O-CG 3.48Å; D33-K37 PolarHBondContact O-N 3.45Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 IonicContact OD1-NZ 3.56Å
34K91.5Very high95.8Very high143 Ų14382.3 Ų82.362%0.62240%0.396SS*.G310 helixtrans-56.5-34.1-176.8-66.1-177.5180-179.60111.7K32 I36 K37 T38K32-K34 PolarHBondContact O-N 3.17Å; K34-I36 VanDerWaalsContact C-N 3.25Å; K34-I36 PolarHBondContact O-N 3.33Å; K34-K37 PolarHBondContact O-N 3.45Å; K34-T38 WeakPolarHBondContact O-CB 3.5Å; K34-T38 PolarHBondContact O-N 3.08Å; K34-T38 PolarHBondContact O-OG1 3.4Å
35C96.2Very high95.6Very high0 Ų086.1 Ų86.10%042%0.415CS..G310 helixtrans-71-19-174.4-159.40000114.6C25 Q28 K32 D33C25-C35 VanDerWaalsContact CB-CA 3.44Å; C25-C35 HydrophobicContact CB-CB 3.53Å; C25-C35 WeakPolarHBondContact CB-SG 3.47Å; C25-C35 WeakPolarHBondContact SG-CB 3.48Å; C25-C35 CovalentContact SG-SG 2.06Å; C25-C35 PolarHBondContact SG-SG 2.99Å; Q28-C35 HydrophobicContact CB-CB 4.06Å; Q28-C35 HydrophobicContact CG-CB 4.16Å; K32-C35 PolarHBondContact O-N 3.09Å; D33-C35 PolarHBondContact O-N 2.9Å; D33-C35 VanDerWaalsContact O-N 3.16Å
36I96.2Very high95.5Very high38 Ų3887.1 Ų87.120%0.19542%0.419CS..G310 helixtrans-119.37.6177.761.3167.8000113Y23 N31 D33 K34 Y113Y23-I36 VanDerWaalsContact CE1-O 3.24Å; Y23-I36 WeakPolarHBondContact CE1-O 3.34Å; N31-I36 WeakPolarHBondContact OD1-CG2 3.34Å; D33-I36 PolarHBondContact O-N 3.3Å; K34-I36 VanDerWaalsContact C-N 3.25Å; K34-I36 PolarHBondContact O-N 3.33Å; I36-Y113 HydrophobicContact CB-CD2 4.4Å; I36-Y113 HydrophobicContact CB-CE2 3.85Å; I36-Y113 HydrophobicContact CG2-CD2 4.42Å; I36-Y113 HydrophobicContact CG2-CE2 4.13Å
37K96.8Very high95.5Very high150 Ų15082.8 Ų82.865%0.65241%0.407SS*.THydrogen-bonded Turntrans-120.7-18.5-179.9-68.7173.7-177169.30112.7D33 K34D33-K37 VanDerWaalsContact O-CB 3.27Å; D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 WeakPolarHBondContact O-CD 3.4Å; D33-K37 WeakPolarHBondContact O-CG 3.48Å; D33-K37 PolarHBondContact O-N 3.45Å; D33-K37 VanDerWaalsContact O-N 3.14Å; D33-K37 IonicContact OD1-NZ 3.56Å; K34-K37 PolarHBondContact O-N 3.45Å
38T98.3Very high95.7Very high65 Ų6577.8 Ų77.840%0.39938%0.38SS..  trans-101.7125.9178.3-54.50000109.5Y23 V24 K34Y23-T38 WeakPolarHBondContact CA-O 3.42Å; V24-T38 HydrophobicContact CG2-CG2 3.73Å; V24-T38 PolarHBondContact N-O 2.96Å; K34-T38 WeakPolarHBondContact O-CB 3.5Å; K34-T38 PolarHBondContact O-N 3.08Å; K34-T38 PolarHBondContact O-OG1 3.4Å
39T98Very high95.9Very high52 Ų5274.8 Ų74.832%0.31937%0.366SS..EExtended strand (participates in β ladder)trans-127.6160.9-179.3580000109.7E21 C22 Y23 L110E21-T39 WeakPolarHBondContact OE1-CB 3.3Å; E21-T39 PolarHBondContact OE1-OG1 3.33Å; C22-T39 CarbonylContact O-C 3.58Å; C22-T39 VanDerWaalsContact O-CA 3.25Å; C22-T39 WeakPolarHBondContact O-CA 3.32Å; Y23-T39 HydrophobicContact CD1-CG2 3.52Å; Y23-T39 HydrophobicContact CE1-CG2 3.54Å; Y23-T39 HydrophobicContact CG-CG2 4.29Å; T39-L110 HydrophobicContact CG2-CD2 3.48Å; T39-L110 VanDerWaalsContact CG2-CD2 3.48Å
40M96.9Very high96.1Very high88 Ų8871 Ų7143%0.43335%0.348SS..EExtended strand (participates in β ladder)trans-149.4140.2179.1-170.7-177.376.800109.9E21 C22 V24 C75E21-M40 WeakPolarHBondContact CA-O 3.38Å; E21-M40 WeakPolarHBondContact CG-O 3.48Å; C22-M40 PolarHBondContact N-O 3.41Å; C22-M40 VanDerWaalsContact N-O 3.12Å; C22-M40 PolarHBondContact O-N 3.35Å; V24-M40 HydrophobicContact CB-CB 4.41Å; V24-M40 HydrophobicContact CG1-CB 3.58Å; V24-M40 HydrophobicContact CG1-CE 4.32Å; V24-M40 HydrophobicContact CG2-CB 3.92Å; M40-C75 HydrophobicContact CE-CB 4.23Å
41Q97Very high96.3Very high136 Ų13670.9 Ų70.964%0.63635%0.346SS*.EExtended strand (participates in β ladder)trans-69.6130.1169.8-68.5-177-35.300109.9
42C97.4Very high96.4Very high7 Ų769.7 Ų69.75%0.04734%0.34CS..PPolyproline II helixtrans-75.8153.5179.5-56.10000111.7S19 M20 C22 E46 C75S19-C42 PolarHBondContact OG-O 3.35Å; M20-C42 HydrophobicContact CE-CB 4.38Å; M20-C42 WeakPolarHBondContact O-CB 3.29Å; M20-C42 PolarHBondContact O-N 2.98Å; M20-C42 PolarHBondContact O-SG 3.4Å; M20-C42 VanDerWaalsContact O-SG 3.4Å; C22-C42 PolarHBondContact SG-SG 2.99Å; C42-E46 HydrophobicContact CB-CB 3.88Å; C42-E46 WeakPolarHBondContact CB-O 3.07Å; C42-C75 WeakPolarHBondContact CA-SG 3.46Å; C42-C75 HydrophobicContact CB-CB 3.54Å; C42-C75 WeakPolarHBondContact CB-SG 3.4Å; C42-C75 WeakPolarHBondContact SG-CB 3.36Å; C42-C75 CovalentContact SG-SG 2.04Å; C42-C75 PolarHBondContact SG-SG 2.04Å
43L95.7Very high96.5Very high112 Ų11264.1 Ų64.159%0.58632%0.316SS*.PPolyproline II helixtrans-70.2165.6172.8-60.7175000111.4D45 E46L43-D45 WeakPolarHBondContact CB-OD1 3.43Å; L43-D45 PolarHBondContact O-N 2.95Å; L43-E46 HydrophobicContact CB-CB 4.39Å; L43-E46 HydrophobicContact CB-CG 4.04Å; L43-E46 PolarHBondContact N-OE2 2.73Å; L43-E46 PolarHBondContact O-N 2.85Å
44E91.4Very high96.7Very high186 Ų18661.6 Ų61.687%0.86931%0.306SS*.THydrogen-bonded Turntrans-59.3-29.4-177.2-170.3176-177.600112.9H47E44-H47 PolarHBondContact O-CE1 3.11Å; E44-H47 PolarHBondContact O-NE2 2.96Å
45D94.2Very high96.9Very high106 Ų10656.8 Ų56.857%0.56728%0.284SS*.THydrogen-bonded Turntrans-92.4-1.8177.763.2-42.4000114.2L43 S77L43-D45 WeakPolarHBondContact CB-OD1 3.43Å; L43-D45 PolarHBondContact O-N 2.95Å; D45-S77 WeakPolarHBondContact O-CB 3.01Å
46E97Very high96.8Very high37 Ų3759.1 Ų59.117%0.17330%0.298CS..  trans-102.784-177.3-68.6-178.6145.800111.6M20 C42 L43 C75 I76M20-E46 WeakPolarHBondContact CE-O 3.47Å; C42-E46 HydrophobicContact CB-CB 3.88Å; C42-E46 WeakPolarHBondContact CB-O 3.07Å; L43-E46 HydrophobicContact CB-CB 4.39Å; L43-E46 HydrophobicContact CB-CG 4.04Å; L43-E46 PolarHBondContact N-OE2 2.73Å; L43-E46 PolarHBondContact O-N 2.85Å; E46-C75 HydrophobicContact CB-CB 4.07Å; E46-C75 HydrophobicContact CG-CB 4.43Å; E46-C75 WeakPolarHBondContact OE2-CB 3.48Å; E46-I76 CarbonylContact C-O 3.44Å; E46-I76 WeakPolarHBondContact CA-O 3.47Å
47H96.5Very high96.6Very high114 Ų11461.2 Ų61.253%0.52831%0.309SS..  trans-92.36.6-176.4-55.6-54.6000115.2M20 E44 I76 Q107M20-H47 VanDerWaalsContact CE-C 3.41Å; E44-H47 PolarHBondContact O-CE1 3.11Å; E44-H47 PolarHBondContact O-NE2 2.96Å; H47-I76 PolarHBondContact N-O 3.41Å; H47-Q107 WeakPolarHBondContact O-CG 3.21Å
48S98.4Very high96.4Very high2 Ų254.6 Ų54.61%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-134.8152.4179.1-65.20000112.1I76 T78 C106 Q107S48-I76 PolarHBondContact N-O 2.9Å; S48-I76 PolarHBondContact O-N 3.5Å; S48-T78 WeakPolarHBondContact OG-CA 3.39Å; S48-T78 WeakPolarHBondContact OG-CB 3.24Å; S48-T78 PolarHBondContact OG-OG1 3.29Å; S48-C106 WeakPolarHBondContact CA-O 3.25Å; S48-Q107 WeakPolarHBondContact OG-CG 3.4Å
49C98.8Very high95.9Very high0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-96.2135.7164.3-53.10000109.7C22 A74 C106 C111 N112C22-C49 HydrophobicContact CB-CB 3.77Å; C22-C49 WeakPolarHBondContact CB-SG 3.4Å; C22-C49 WeakPolarHBondContact SG-CA 3.36Å; C22-C49 WeakPolarHBondContact SG-CB 3.35Å; C22-C49 CovalentContact SG-SG 2.02Å; C22-C49 PolarHBondContact SG-SG 3.37Å; C49-A74 WeakPolarHBondContact CA-O 3.32Å; C49-C106 PolarHBondContact N-O 2.88Å; C49-C106 PolarHBondContact O-N 3.48Å; C49-C106 VanDerWaalsContact O-N 3.12Å; C49-C111 VanDerWaalsContact SG-SG 3.62Å; C49-N112 HydrophobicContact CB-CB 3.57Å
50I98.8Very high95.5Very high0 Ų059.9 Ų59.90%030%0.304CS..EExtended strand (participates in β ladder)trans-105.7142.5173.1-173.6161.9000110.8W72 K73 A74 I76 Q84 V103 N112I50-W72 HydrophobicContact CD1-CZ3 3.95Å; I50-W72 HydrophobicContact CG1-CZ3 4.37Å; I50-W72 HydrophobicContact CG2-CH2 4.05Å; I50-W72 HydrophobicContact CG2-CZ3 4.02Å; I50-K73 VanDerWaalsContact O-CA 3.27Å; I50-K73 WeakPolarHBondContact O-CA 3.25Å; I50-A74 HydrophobicContact CG2-CB 3.8Å; I50-A74 WeakPolarHBondContact CG2-O 3.06Å; I50-A74 PolarHBondContact N-O 3.24Å; I50-A74 PolarHBondContact O-N 3.45Å; I50-I76 HydrophobicContact CB-CB 4.49Å; I50-I76 HydrophobicContact CB-CG2 3.75Å; I50-I76 HydrophobicContact CD1-CD1 3.97Å; I50-I76 HydrophobicContact CG2-CB 4.11Å; I50-I76 HydrophobicContact CG2-CD1 4.29Å; I50-I76 HydrophobicContact CG2-CG2 3.91Å; I50-Q84 HydrophobicContact CD1-CB 4.26Å; I50-V103 HydrophobicContact CD1-CG1 3.72Å; I50-V103 HydrophobicContact CG1-CG1 3.89Å; I50-N112 PolarHBondContact O-ND2 3.38Å
51T98.7Very high95.1Very high3 Ų366 Ų662%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-125.4117.1162.3-64.60000108.8I53 L71 K73 V103 E104 A115T51-I53 HydrophobicContact CG2-CD1 4.3Å; T51-I53 HydrophobicContact CG2-CG1 3.81Å; T51-L71 HydrophobicContact CG2-CD2 4.43Å; T51-K73 HydrophobicContact CG2-CG 4.18Å; T51-K73 VanDerWaalsContact CG2-NZ 3.28Å; T51-K73 PolarHBondContact OG1-NZ 2.91Å; T51-V103 CarbonylContact O-C 3.6Å; T51-V103 WeakPolarHBondContact O-CA 3.29Å; T51-E104 PolarHBondContact N-O 3.43Å; T51-E104 PolarHBondContact O-N 2.86Å; T51-A115 HydrophobicContact CG2-CB 4Å
52N98.2Very high94.4Very high16 Ų1660.5 Ų60.59%0.08630%0.299CS..EExtended strand (participates in β ladder)trans-100.9129170-169.7-57.3000109.2S54 L71 W72 V103N52-S54 PolarHBondContact OD1-OG 3.09Å; N52-L71 WeakPolarHBondContact O-CA 3.02Å; N52-W72 HydrophobicContact CB-CB 4.33Å; N52-W72 HydrophobicContact CB-CE3 3.68Å; N52-W72 HydrophobicContact CB-CZ3 4.45Å; N52-W72 PolarHBondContact N-O 2.83Å; N52-W72 PolarHBondContact O-N 3.41Å; N52-V103 HydrophobicContact CB-CG2 4.25Å; N52-V103 WeakPolarHBondContact ND2-CG2 3.33Å
53I97.7Very high93.8Very high0 Ų063.5 Ų63.50%032%0.318CS..EExtended strand (participates in β ladder)trans-121.4116.2-177.9-47.4170.6000106.7T51 H69 W100 R101 C102 E104 A115 L117T51-I53 HydrophobicContact CG2-CD1 4.3Å; T51-I53 HydrophobicContact CG2-CG1 3.81Å; I53-H69 HydrophobicContact CG2-CB 4.33Å; I53-W100 HydrophobicContact CB-CZ3 4.07Å; I53-W100 HydrophobicContact CG2-CH2 3.74Å; I53-W100 HydrophobicContact CG2-CZ3 3.63Å; I53-R101 CarbonylContact O-C 3.57Å; I53-R101 WeakPolarHBondContact O-CA 3.32Å; I53-C102 HydrophobicContact CB-CB 4.46Å; I53-C102 PolarHBondContact N-O 2.71Å; I53-C102 PolarHBondContact O-N 3.37Å; I53-E104 VanDerWaalsContact CD1-OE1 3.32Å; I53-E104 WeakPolarHBondContact CD1-OE1 3.31Å; I53-A115 HydrophobicContact CD1-CB 3.8Å; I53-A115 HydrophobicContact CG1-CB 4.19Å; I53-L117 HydrophobicContact CG2-CD2 3.9Å
54S96.5Very high93.2Very high39 Ų3966.9 Ų66.927%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-114.2124.3175.5-630000109.1N52 H69 F70N52-S54 PolarHBondContact OD1-OG 3.09Å; S54-H69 CarbonylContact O-C 3.48Å; S54-H69 WeakPolarHBondContact O-CA 3.1Å; S54-F70 PolarHBondContact N-O 3.02Å; S54-F70 PolarHBondContact O-N 3.22Å
55Y95.9Very high92.8Very high41 Ų4159.7 Ų59.716%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-108.2117.1176.9-173.5-108.5000109.3R67 T68 H69 W96 D99 W100Y55-R67 HydrophobicContact CD1-CB 4.21Å; Y55-R67 HydrophobicContact CE1-CB 3.51Å; Y55-R67 HydrophobicContact CE1-CG 4.28Å; Y55-R67 HydrophobicContact CE2-CB 3.96Å; Y55-R67 WeakPolarHBondContact CE2-O 3.3Å; Y55-R67 WeakPolarHBondContact OH-CB 2.98Å; Y55-R67 PolarHBondContact OH-O 3.05Å; Y55-T68 WeakPolarHBondContact CA-O 3.33Å; Y55-T68 VanDerWaalsContact CD2-C 3.47Å; Y55-T68 WeakPolarHBondContact CD2-O 3.46Å; Y55-H69 HydrophobicContact CD2-CB 4.15Å; Y55-W96 WeakPolarHBondContact CE1-O 3.07Å; Y55-D99 WeakPolarHBondContact O-CA 3.05Å; Y55-W100 VanDerWaalsContact CB-CD2 3.49Å; Y55-W100 AromaticContact CD1-CD1 3.71Å; Y55-W100 AromaticContact CD1-CE2 3.83Å; Y55-W100 HydrophobicContact CD1-CZ2 4.34Å; Y55-W100 AromaticContact CD1-NE1 3.17Å; Y55-W100 HydrophobicContact CD2-CZ2 4.19Å; Y55-W100 HydrophobicContact CG-CD2 4.37Å; Y55-W100 AromaticContact CG-CE2 3.57Å; Y55-W100 AromaticContact CG-CZ2 3.74Å; Y55-W100 HydrophobicContact CG-CZ2 3.74Å; Y55-W100 AromaticContact CG-NE1 3.44Å; Y55-W100 PolarHBondContact N-O 2.89Å; Y55-W100 PolarHBondContact O-N 2.9Å
56T94.6Very high92.6Very high50 Ų5060.5 Ų60.531%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-158170-173.1-167.30000111.9R67 T68 F70 D99T56-R67 WeakPolarHBondContact O-CA 3.01Å; T56-T68 PolarHBondContact N-O 3.38Å; T56-T68 PolarHBondContact O-N 3.38Å; T56-F70 HydrophobicContact CG2-CD2 3.99Å; T56-F70 HydrophobicContact CG2-CE2 4.04Å; T56-D99 WeakPolarHBondContact CA-OD1 3.05Å; T56-D99 WeakPolarHBondContact CB-OD1 3.34Å; T56-D99 PolarHBondContact OG1-OD1 2.85Å
57I92.6Very high92.4Very high82 Ų8261.7 Ų61.742%0.42131%0.312SS..  trans-68.3128.5170-59.6176.5000107.4R67I57-R67 HydrophobicContact CG1-CG 3.78Å
58P92.4Very high92.2Very high10 Ų1057.1 Ų57.17%0.06529%0.292CS..  trans-52.7145.4176.2-23.129.6000112.1Y60 E66 T68 F70P58-Y60 HydrophobicContact CB-CD1 4.15Å; P58-Y60 HydrophobicContact CB-CD2 3.82Å; P58-Y60 HydrophobicContact CB-CE1 3.88Å; P58-Y60 HydrophobicContact CB-CE2 3.55Å; P58-Y60 HydrophobicContact CB-CG 4.12Å; P58-Y60 HydrophobicContact CG-CE2 4.15Å; P58-Y60 PolarHBondContact O-N 3.42Å; P58-E66 WeakPolarHBondContact CD-O 3.38Å; P58-T68 HydrophobicContact CG-CG2 3.73Å; P58-F70 HydrophobicContact CB-CZ 4.16Å
59P87.5Confident92Very high116 Ų11659.4 Ų59.475%0.75330%0.303SS*.SBendtrans-72-8.6177.230.6-35.5000113
60Y89.3Confident91.9Very high112 Ų11260.1 Ų60.144%0.43931%0.306SS..SBendtrans-102.7163.2173.244.7-91.3000110.5E29 P58 S62 F70E29-Y60 VanDerWaalsContact CD-OH 3.22Å; E29-Y60 PolarHBondContact OE2-OH 3.11Å; P58-Y60 HydrophobicContact CB-CD1 4.15Å; P58-Y60 HydrophobicContact CB-CD2 3.82Å; P58-Y60 HydrophobicContact CB-CE1 3.88Å; P58-Y60 HydrophobicContact CB-CE2 3.55Å; P58-Y60 HydrophobicContact CB-CG 4.12Å; P58-Y60 HydrophobicContact CG-CE2 4.15Å; P58-Y60 PolarHBondContact O-N 3.42Å; Y60-S62 PolarHBondContact O-N 3.01Å; Y60-F70 HydrophobicContact CE1-CE1 4.5Å; Y60-F70 HydrophobicContact CE1-CZ 4.35Å
61W88.5Confident91.9Very high217 Ų21760.1 Ų60.182%0.82231%0.306SS*.  trans-58.2123.2175.2-177.188.1000110.5P63W61-P63 HydrophobicContact CH2-CB 4.34Å; W61-P63 HydrophobicContact CH2-CG 3.84Å; W61-P63 HydrophobicContact CZ3-CG 3.81Å
62S82.3Confident91.9Very high21 Ų2164.5 Ų64.515%0.14732%0.322CS..  trans-119.4141.8168.5630000109.4Y60 M64 G65 E66Y60-S62 PolarHBondContact O-N 3.01Å; S62-M64 PolarHBondContact O-N 3.3Å; S62-G65 PolarHBondContact O-N 3.47Å; S62-E66 PolarHBondContact OG-N 3.41Å; S62-E66 PolarHBondContact OG-O 3.47Å
63P85.2Confident91.9Very high69 Ų6963.9 Ų63.945%0.44832%0.319SS..G310 helixtrans-51.1133.3169.6-24.133.2000110W61 G65 E66W61-P63 HydrophobicContact CH2-CB 4.34Å; W61-P63 HydrophobicContact CH2-CG 3.84Å; W61-P63 HydrophobicContact CZ3-CG 3.81Å; P63-G65 PolarHBondContact O-N 3.01Å; P63-E66 WeakPolarHBondContact O-CG 3.47Å; P63-E66 PolarHBondContact O-N 2.91Å
64M83.7Confident91.9Very high183 Ų18364.6 Ų64.690%0.90132%0.324SS*.G310 helixtrans61.19.5174-51.5175.572.900115.8S62 E66S62-M64 PolarHBondContact O-N 3.3Å; M64-E66 VanDerWaalsContact C-N 3.26Å; M64-E66 HydrophobicContact CB-CG 4.4Å; M64-E66 PolarHBondContact O-N 3.27Å
65G82.6Confident92Very high35 Ų3563 Ų6336%0.36131%0.313SS..G310 helixtrans65.132.2-176.300000112.6S62 P63 R67S62-G65 PolarHBondContact O-N 3.47Å; P63-G65 PolarHBondContact O-N 3.01Å; G65-R67 PolarHBondContact O-N 2.94Å
66E89.8Confident92.2Very high123 Ų12362 Ų6258%0.57531%0.31SS*.  trans-58.3132.9179.6-75178.4-175.800111.3P58 S62 P63 M64P58-E66 WeakPolarHBondContact CD-O 3.38Å; S62-E66 PolarHBondContact OG-N 3.41Å; S62-E66 PolarHBondContact OG-O 3.47Å; P63-E66 WeakPolarHBondContact O-CG 3.47Å; P63-E66 PolarHBondContact O-N 2.91Å; M64-E66 VanDerWaalsContact C-N 3.26Å; M64-E66 HydrophobicContact CB-CG 4.4Å; M64-E66 PolarHBondContact O-N 3.27Å
67R91.9Very high92.3Very high62 Ų6261.4 Ų61.423%0.23431%0.309CS..  trans-84.5137.5177.9-66175.8170.3-72.85.1110.1Y55 T56 I57 G65 Y97 D99Y55-R67 HydrophobicContact CD1-CB 4.21Å; Y55-R67 HydrophobicContact CE1-CB 3.51Å; Y55-R67 HydrophobicContact CE1-CG 4.28Å; Y55-R67 HydrophobicContact CE2-CB 3.96Å; Y55-R67 WeakPolarHBondContact CE2-O 3.3Å; Y55-R67 WeakPolarHBondContact OH-CB 2.98Å; Y55-R67 PolarHBondContact OH-O 3.05Å; T56-R67 WeakPolarHBondContact O-CA 3.01Å; I57-R67 HydrophobicContact CG1-CG 3.78Å; G65-R67 PolarHBondContact O-N 2.94Å; R67-Y97 PolarHBondContact NE-O 2.84Å; R67-D99 IonicContact CZ-OD1 3.13Å; R67-D99 IonicContact CZ-OD2 3.56Å; R67-D99 IonicContact NH1-OD1 2.88Å; R67-D99 PolarHBondContact NH1-OD1 3.24Å; R67-D99 IonicContact NH1-OD2 2.69Å; R67-D99 PolarHBondContact NH1-OD2 3.03Å; R67-D99 VanDerWaalsContact NH1-OD2 3.13Å; R67-D99 IonicContact NH2-OD1 3.52Å; R67-D99 IonicContact NH2-OD2 2.65Å; R67-D99 PolarHBondContact NH2-OD2 3.44Å
68T93.1Very high92.6Very high19 Ų1959.7 Ų59.712%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-129.5166.4179.2-1620000110.9E29 Y55 T56 P58 F70E29-T68 HydrophobicContact CG-CG2 3.93Å; E29-T68 WeakPolarHBondContact CG-OG1 3.31Å; E29-T68 WeakPolarHBondContact OE1-CB 3.48Å; E29-T68 WeakPolarHBondContact OE1-CG2 3.28Å; E29-T68 PolarHBondContact OE1-OG1 3.41Å; Y55-T68 WeakPolarHBondContact CA-O 3.33Å; Y55-T68 VanDerWaalsContact CD2-C 3.47Å; Y55-T68 WeakPolarHBondContact CD2-O 3.46Å; T56-T68 PolarHBondContact N-O 3.38Å; T56-T68 PolarHBondContact O-N 3.38Å; P58-T68 HydrophobicContact CG-CG2 3.73Å; T68-F70 HydrophobicContact CG2-CD2 3.98Å; T68-F70 HydrophobicContact CG2-CE1 4.27Å; T68-F70 HydrophobicContact CG2-CE2 3.28Å; T68-F70 HydrophobicContact CG2-CZ 3.45Å; T68-F70 VanDerWaalsContact CG2-CZ 3.45Å
69H94.8Very high92.9Very high49 Ų4967.2 Ų67.223%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-101.4127.4178.749.4-78.4000110.8G30 I53 S54 Y55 L117G30-H69 VanDerWaalsContact CA-CD2 3.47Å; G30-H69 WeakPolarHBondContact CA-CD2 3.48Å; G30-H69 WeakPolarHBondContact CA-NE2 3.38Å; G30-H69 PolarHBondContact N-O 2.88Å; I53-H69 HydrophobicContact CG2-CB 4.33Å; S54-H69 CarbonylContact O-C 3.48Å; S54-H69 WeakPolarHBondContact O-CA 3.1Å; Y55-H69 HydrophobicContact CD2-CB 4.15Å; H69-L117 HydrophobicContact CB-CD2 3.93Å
70F96.7Very high93.4Very high15 Ų1564.3 Ų64.37%0.06631%0.313CS..EExtended strand (participates in β ladder)trans-106.9133.7173.4-64.7-85.1000110.4N27 Q28 E29 S54 T56 P58 Y60 T68N27-F70 WeakPolarHBondContact OD1-CB 3.34Å; Q28-F70 CarbonylContact O-C 3.52Å; Q28-F70 VanDerWaalsContact O-CA 3.31Å; Q28-F70 WeakPolarHBondContact O-CA 3.11Å; E29-F70 HydrophobicContact CB-CD1 4.29Å; E29-F70 HydrophobicContact CB-CE1 4.05Å; E29-F70 HydrophobicContact CG-CE1 4.49Å; S54-F70 PolarHBondContact N-O 3.02Å; S54-F70 PolarHBondContact O-N 3.22Å; T56-F70 HydrophobicContact CG2-CD2 3.99Å; T56-F70 HydrophobicContact CG2-CE2 4.04Å; P58-F70 HydrophobicContact CB-CZ 4.16Å; Y60-F70 HydrophobicContact CE1-CE1 4.5Å; Y60-F70 HydrophobicContact CE1-CZ 4.35Å; T68-F70 HydrophobicContact CG2-CD2 3.98Å; T68-F70 HydrophobicContact CG2-CE1 4.27Å; T68-F70 HydrophobicContact CG2-CE2 3.28Å; T68-F70 HydrophobicContact CG2-CZ 3.45Å; T68-F70 VanDerWaalsContact CG2-CZ 3.45Å
71L98Very high93.9Very high1 Ų159 Ų591%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-111.5139.8-177.6-77.878.4000111.9N27 Q28 N31 T51 N52 A115N27-L71 CarbonylContact C-O 3.59Å; N27-L71 VanDerWaalsContact CA-O 3.31Å; N27-L71 WeakPolarHBondContact CA-O 3.5Å; N27-L71 PolarHBondContact N-O 2.97Å; Q28-L71 PolarHBondContact N-O 3.37Å; Q28-L71 PolarHBondContact O-N 3.31Å; N31-L71 HydrophobicContact CB-CD2 3.67Å; N31-L71 WeakPolarHBondContact OD1-CD2 3.39Å; T51-L71 HydrophobicContact CG2-CD2 4.43Å; N52-L71 WeakPolarHBondContact O-CA 3.02Å; L71-A115 HydrophobicContact CD2-CB 3.53Å; L71-A115 HydrophobicContact CG-CB 4.43Å
72W98.1Very high94.4Very high95 Ų9552.7 Ų52.736%0.3627%0.272SS..EExtended strand (participates in β ladder)trans-127.5128.1161.6169.970.9000108.7C25 I50 N52 A74C25-W72 CarbonylContact O-C 3.53Å; C25-W72 VanDerWaalsContact O-CA 3.29Å; C25-W72 WeakPolarHBondContact O-CA 3.36Å; I50-W72 HydrophobicContact CD1-CZ3 3.95Å; I50-W72 HydrophobicContact CG1-CZ3 4.37Å; I50-W72 HydrophobicContact CG2-CH2 4.05Å; I50-W72 HydrophobicContact CG2-CZ3 4.02Å; N52-W72 HydrophobicContact CB-CB 4.33Å; N52-W72 HydrophobicContact CB-CE3 3.68Å; N52-W72 HydrophobicContact CB-CZ3 4.45Å; N52-W72 PolarHBondContact N-O 2.83Å; N52-W72 PolarHBondContact O-N 3.41Å; W72-A74 HydrophobicContact CH2-CB 4.24Å; W72-A74 HydrophobicContact CZ2-CB 3.7Å
73K98.6Very high95.1Very high2 Ų257.1 Ų57.11%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-126.9142.4-180-62.7-176.5-177.3-78.40109.6Y23 V24 C25 N31 I50 T51 N112 Y114Y23-K73 WeakPolarHBondContact O-CB 3.44Å; V24-K73 WeakPolarHBondContact CA-O 3.45Å; C25-K73 PolarHBondContact N-O 2.05Å; C25-K73 PolarHBondContact O-N 2.93Å; N31-K73 WeakPolarHBondContact OD1-CE 3.36Å; I50-K73 VanDerWaalsContact O-CA 3.27Å; I50-K73 WeakPolarHBondContact O-CA 3.25Å; T51-K73 HydrophobicContact CG2-CG 4.18Å; T51-K73 VanDerWaalsContact CG2-NZ 3.28Å; T51-K73 PolarHBondContact OG1-NZ 2.91Å; K73-N112 WeakPolarHBondContact CE-O 3.35Å; K73-N112 PolarHBondContact NZ-O 2.94Å; K73-Y114 PolarHBondContact NZ-O 2.77Å; K73-Y114 VanDerWaalsContact NZ-O 3.11Å
74A98.6Very high95.8Very high15 Ų1555.8 Ų55.812%0.12427%0.273CS..EExtended strand (participates in β ladder)trans-158.7167.3-179.200000112C49 I50 W72C49-A74 WeakPolarHBondContact CA-O 3.32Å; I50-A74 HydrophobicContact CG2-CB 3.8Å; I50-A74 WeakPolarHBondContact CG2-O 3.06Å; I50-A74 PolarHBondContact N-O 3.24Å; I50-A74 PolarHBondContact O-N 3.45Å; W72-A74 HydrophobicContact CH2-CB 4.24Å; W72-A74 HydrophobicContact CZ2-CB 3.7Å
75C98.7Very high96.4Very high6 Ų650.8 Ų50.84%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-73.9149.2154.7-640000109.5C22 M40 C42 E46C22-C75 VanDerWaalsContact SG-SG 3.7Å; M40-C75 HydrophobicContact CE-CB 4.23Å; C42-C75 WeakPolarHBondContact CA-SG 3.46Å; C42-C75 HydrophobicContact CB-CB 3.54Å; C42-C75 WeakPolarHBondContact CB-SG 3.4Å; C42-C75 WeakPolarHBondContact SG-CB 3.36Å; C42-C75 CovalentContact SG-SG 2.04Å; C42-C75 PolarHBondContact SG-SG 2.04Å; E46-C75 HydrophobicContact CB-CB 4.07Å; E46-C75 HydrophobicContact CG-CB 4.43Å; E46-C75 WeakPolarHBondContact OE2-CB 3.48Å
76I98.6Very high97.2Very high19 Ų1955.8 Ų55.810%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-161.9159.5179.4-161162.6000111.2E46 H47 S48 I50 E80 C81E46-I76 CarbonylContact C-O 3.44Å; E46-I76 WeakPolarHBondContact CA-O 3.47Å; H47-I76 PolarHBondContact N-O 3.41Å; S48-I76 PolarHBondContact N-O 2.9Å; S48-I76 PolarHBondContact O-N 3.5Å; I50-I76 HydrophobicContact CB-CB 4.49Å; I50-I76 HydrophobicContact CB-CG2 3.75Å; I50-I76 HydrophobicContact CD1-CD1 3.97Å; I50-I76 HydrophobicContact CG2-CB 4.11Å; I50-I76 HydrophobicContact CG2-CD1 4.29Å; I50-I76 HydrophobicContact CG2-CG2 3.91Å; I76-E80 HydrophobicContact CD1-CB 4.12Å; I76-E80 HydrophobicContact CD1-CG 3.52Å; I76-E80 HydrophobicContact CG1-CB 4.01Å; I76-E80 HydrophobicContact CG1-CG 3.88Å; I76-C81 HydrophobicContact CG2-CB 3.59Å
77S98.3Very high97.5Very high39 Ų3953.3 Ų53.327%0.27325%0.25SS..  trans-66.8146.1167.778.10000111D45 E79 E80 C81D45-S77 WeakPolarHBondContact O-CB 3.01Å; S77-E79 VanDerWaalsContact C-N 3.28Å; S77-E79 PolarHBondContact O-N 2.86Å; S77-E80 PolarHBondContact O-N 3.32Å; S77-E80 VanDerWaalsContact OG-CB 3.29Å; S77-E80 WeakPolarHBondContact OG-CB 3.27Å; S77-E80 PolarHBondContact OG-N 2.03Å; S77-C81 PolarHBondContact O-N 3.33Å
78T98.3Very high97.8Very high46 Ų4650.4 Ų50.428%0.28224%0.239SC..Hα-helixtrans-59.3-41-179.3-52.90000111.9S48 C81 E82 Q107S48-T78 WeakPolarHBondContact OG-CA 3.39Å; S48-T78 WeakPolarHBondContact OG-CB 3.24Å; S48-T78 PolarHBondContact OG-OG1 3.29Å; T78-C81 PolarHBondContact O-N 2.94Å; T78-E82 PolarHBondContact O-N 3.43Å; T78-E82 VanDerWaalsContact O-N 3.08Å; T78-Q107 PolarHBondContact OG1-NE2 3.18Å; T78-Q107 VanDerWaalsContact OG1-NE2 3.09Å
79E98.5Very high97.8Very high167 Ų16751.8 Ų51.878%0.7826%0.258SS*.Hα-helixtrans-63-47.9179.1-175.5-178.9176.100111.7S77 C81 E82 R83S77-E79 VanDerWaalsContact C-N 3.28Å; S77-E79 PolarHBondContact O-N 2.86Å; E79-C81 VanDerWaalsContact C-N 3.32Å; E79-C81 PolarHBondContact O-N 3.37Å; E79-E82 PolarHBondContact O-N 2.83Å; E79-R83 WeakPolarHBondContact O-CB 3.27Å; E79-R83 PolarHBondContact O-N 3.29Å
80E98.7Very high97.7Very high56 Ų5657.3 Ų57.326%0.26228%0.281SS..Hα-helixtrans-66.5-36.7179.2176.360.6-162.700111.4I76 S77 R83 Q84I76-E80 HydrophobicContact CD1-CB 4.12Å; I76-E80 HydrophobicContact CD1-CG 3.52Å; I76-E80 HydrophobicContact CG1-CB 4.01Å; I76-E80 HydrophobicContact CG1-CG 3.88Å; S77-E80 PolarHBondContact O-N 3.32Å; S77-E80 VanDerWaalsContact OG-CB 3.29Å; S77-E80 WeakPolarHBondContact OG-CB 3.27Å; S77-E80 PolarHBondContact OG-N 2.03Å; E80-R83 VanDerWaalsContact CD-NH2 3.31Å; E80-R83 PolarHBondContact O-N 2.02Å; E80-R83 IonicContact OE1-CZ 2.83Å; E80-R83 IonicContact OE1-NE 3.66Å; E80-R83 IonicContact OE1-NH2 2.93Å; E80-R83 PolarHBondContact OE1-NH2 3.46Å; E80-R83 IonicContact OE2-CZ 3.72Å; E80-R83 IonicContact OE2-NE 2.73Å; E80-R83 PolarHBondContact OE2-NE 3.12Å; E80-R83 IonicContact OE2-NH2 3.02Å; E80-R83 PolarHBondContact OE2-NH2 3.37Å; E80-R83 VanDerWaalsContact OE2-NH2 3.11Å; E80-Q84 HydrophobicContact CG-CG 4.42Å; E80-Q84 WeakPolarHBondContact O-CB 3.33Å; E80-Q84 VanDerWaalsContact O-CG 3.28Å; E80-Q84 WeakPolarHBondContact O-CG 3.22Å; E80-Q84 PolarHBondContact O-N 2.89Å; E80-Q84 VanDerWaalsContact OE1-CG 3.31Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q84 PolarHBondContact OE1-NE2 2.92Å
81C98.8Very high97.5Very high0 Ų059.9 Ų59.90%030%0.298CS..Hα-helixtrans-59.6-50.3175.4-158.30000111.6I76 S77 T78 E79 R83 Q84 K85 C105I76-C81 HydrophobicContact CG2-CB 3.59Å; S77-C81 PolarHBondContact O-N 3.33Å; T78-C81 PolarHBondContact O-N 2.94Å; E79-C81 VanDerWaalsContact C-N 3.32Å; E79-C81 PolarHBondContact O-N 3.37Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 3.32Å; C81-Q84 PolarHBondContact O-N 3.25Å; C81-K85 VanDerWaalsContact O-CB 3.3Å; C81-K85 WeakPolarHBondContact O-CB 3.25Å; C81-K85 PolarHBondContact O-N 3.08Å; C81-C105 HydrophobicContact CB-CB 4.01Å; C81-C105 WeakPolarHBondContact CB-SG 3.2Å; C81-C105 PolarHBondContact O-SG 2.91Å; C81-C105 VanDerWaalsContact SG-CA 3.56Å; C81-C105 WeakPolarHBondContact SG-CB 3.35Å; C81-C105 CovalentContact SG-SG 2.03Å; C81-C105 PolarHBondContact SG-SG 3.39Å
82E98.3Very high97.3Very high85 Ų8561.4 Ų61.440%0.39731%0.308SS..Hα-helixtrans-65.4-36.6179.7-69.9-58.8146.100111.7T78 E79 K85 E86T78-E82 PolarHBondContact O-N 3.43Å; T78-E82 VanDerWaalsContact O-N 3.08Å; E79-E82 PolarHBondContact O-N 2.83Å; E82-K85 VanDerWaalsContact CD-NZ 3.32Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.12Å; E82-K85 IonicContact OE1-NZ 3.11Å; E82-K85 PolarHBondContact OE1-NZ 3.37Å; E82-K85 IonicContact OE2-NZ 3.34Å; E82-K85 PolarHBondContact OE2-NZ 2.89Å; E82-E86 PolarHBondContact O-N 2.89Å
83R98.6Very high96.9Very high113 Ų11362.7 Ų62.743%0.42632%0.318SS..Hα-helixtrans-60.7-46.7172.5-167.6-171.972.5820.5112E79 E80 C81 K85 E86 I87E79-R83 WeakPolarHBondContact O-CB 3.27Å; E79-R83 PolarHBondContact O-N 3.29Å; E80-R83 VanDerWaalsContact CD-NH2 3.31Å; E80-R83 PolarHBondContact O-N 2.02Å; E80-R83 IonicContact OE1-CZ 2.83Å; E80-R83 IonicContact OE1-NE 3.66Å; E80-R83 IonicContact OE1-NH2 2.93Å; E80-R83 PolarHBondContact OE1-NH2 3.46Å; E80-R83 IonicContact OE2-CZ 3.72Å; E80-R83 IonicContact OE2-NE 2.73Å; E80-R83 PolarHBondContact OE2-NE 3.12Å; E80-R83 IonicContact OE2-NH2 3.02Å; E80-R83 PolarHBondContact OE2-NH2 3.37Å; E80-R83 VanDerWaalsContact OE2-NH2 3.11Å; C81-R83 VanDerWaalsContact C-N 3.33Å; C81-R83 PolarHBondContact O-N 3.32Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 3.45Å; R83-E86 PolarHBondContact O-N 3Å; R83-I87 HydrophobicContact CG-CD1 4.33Å; R83-I87 WeakPolarHBondContact O-CG1 3.32Å; R83-I87 PolarHBondContact O-N 2.79Å; R83-I87 VanDerWaalsContact O-N 3.08Å
84Q98.6Very high96.6Very high42 Ų4265.7 Ų65.720%0.19633%0.329CS..Hα-helixtrans-64.5-37.3177.4-71.4-72.1-13.200112I50 E80 C81 I87 A88 V103I50-Q84 HydrophobicContact CD1-CB 4.26Å; E80-Q84 HydrophobicContact CG-CG 4.42Å; E80-Q84 WeakPolarHBondContact O-CB 3.33Å; E80-Q84 VanDerWaalsContact O-CG 3.28Å; E80-Q84 WeakPolarHBondContact O-CG 3.22Å; E80-Q84 PolarHBondContact O-N 2.89Å; E80-Q84 VanDerWaalsContact OE1-CG 3.31Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.45Å; E80-Q84 PolarHBondContact OE1-NE2 2.92Å; C81-Q84 PolarHBondContact O-N 3.25Å; Q84-I87 PolarHBondContact O-N 2.69Å; Q84-A88 VanDerWaalsContact O-CB 3.27Å; Q84-A88 WeakPolarHBondContact O-CB 3.05Å; Q84-A88 PolarHBondContact O-N 2.77Å; Q84-V103 HydrophobicContact CB-CG1 4.28Å
85K97.8Very high96.2Very high78 Ų7868.7 Ų68.734%0.33934%0.341SS..Hα-helixtrans-64.7-42.2175-178.3168.5154.7-141.30112.8C81 E82 R83 G89 V103 C105C81-K85 VanDerWaalsContact O-CB 3.3Å; C81-K85 WeakPolarHBondContact O-CB 3.25Å; C81-K85 PolarHBondContact O-N 3.08Å; E82-K85 VanDerWaalsContact CD-NZ 3.32Å; E82-K85 WeakPolarHBondContact O-CB 3.39Å; E82-K85 PolarHBondContact O-N 3.12Å; E82-K85 IonicContact OE1-NZ 3.11Å; E82-K85 PolarHBondContact OE1-NZ 3.37Å; E82-K85 IonicContact OE2-NZ 3.34Å; E82-K85 PolarHBondContact OE2-NZ 2.89Å; R83-K85 VanDerWaalsContact C-N 3.3Å; R83-K85 PolarHBondContact O-N 3.45Å; K85-G89 PolarHBondContact O-N 2.73Å; K85-V103 HydrophobicContact CB-CB 4.23Å; K85-V103 HydrophobicContact CB-CG1 3.88Å; K85-C105 HydrophobicContact CD-CB 4.36Å
86E97.6Very high95.8Very high140 Ų14077.5 Ų77.565%0.65437%0.373SS*.Hα-helixtrans-62-46.5173.5-170.7-173.2165.500111.5E82 R83 G89E82-E86 PolarHBondContact O-N 2.89Å; R83-E86 PolarHBondContact O-N 3Å; E86-G89 PolarHBondContact O-N 2.58Å
87I97.9Very high95.4Very high71 Ų7182.7 Ų82.736%0.36439%0.393SS..Hα-helixtrans-62.9-47.6178.8-66.6166.8000111R83 Q84 G89 K90R83-I87 HydrophobicContact CG-CD1 4.33Å; R83-I87 WeakPolarHBondContact O-CG1 3.32Å; R83-I87 PolarHBondContact O-N 2.79Å; R83-I87 VanDerWaalsContact O-N 3.08Å; Q84-I87 PolarHBondContact O-N 2.69Å; I87-G89 VanDerWaalsContact C-N 3.28Å; I87-G89 PolarHBondContact O-N 3.07Å; I87-K90 PolarHBondContact O-N 3.17Å
88A96.6Very high95.1Very high0 Ų082.6 Ų82.60%039%0.389CS..Hα-helixtrans-65.8-30.8177.400000112.4Q84 K90 T91 C92 R101 V103Q84-A88 VanDerWaalsContact O-CB 3.27Å; Q84-A88 WeakPolarHBondContact O-CB 3.05Å; Q84-A88 PolarHBondContact O-N 2.77Å; A88-K90 PolarHBondContact O-N 3.11Å; A88-T91 CarbonylContact O-C 3.55Å; A88-T91 PolarHBondContact O-N 3.14Å; A88-T91 PolarHBondContact O-OG1 3.41Å; A88-C92 WeakPolarHBondContact O-CB 3.25Å; A88-C92 PolarHBondContact O-N 3.23Å; A88-R101 VanDerWaalsContact O-O 3.06Å; A88-V103 HydrophobicContact CB-CB 3.97Å; A88-V103 HydrophobicContact CB-CG2 3.66Å
89G93Very high94.9Very high49 Ų4984.3 Ų84.351%0.50540%0.396SS..Hα-helixtrans-53.3-29.717900000113.6K85 E86 I87 T91 C92K85-G89 PolarHBondContact O-N 2.73Å; E86-G89 PolarHBondContact O-N 2.58Å; I87-G89 VanDerWaalsContact C-N 3.28Å; I87-G89 PolarHBondContact O-N 3.07Å; G89-T91 VanDerWaalsContact C-N 3.26Å; G89-T91 PolarHBondContact O-N 3.32Å; G89-C92 PolarHBondContact O-N 3.44Å
90K92.9Very high94.8Very high165 Ų16577.1 Ų77.172%0.71736%0.361SS*.THydrogen-bonded Turntrans-66.8-24.5177-60.7178-176.9177.50113.7I87 A88I87-K90 PolarHBondContact O-N 3.17Å; A88-K90 PolarHBondContact O-N 3.11Å
91T92.6Very high94.7Very high68 Ų6877.6 Ų77.642%0.41736%0.361SS..THydrogen-bonded Turntrans-122.28.8-180600000112.5A88 G89 Q93 W100 R101A88-T91 CarbonylContact O-C 3.55Å; A88-T91 PolarHBondContact O-N 3.14Å; A88-T91 PolarHBondContact O-OG1 3.41Å; G89-T91 VanDerWaalsContact C-N 3.26Å; G89-T91 PolarHBondContact O-N 3.32Å; T91-Q93 VanDerWaalsContact C-N 3.35Å; T91-Q93 PolarHBondContact O-N 3.48Å; T91-Q93 VanDerWaalsContact O-N 3.14Å; T91-W100 WeakPolarHBondContact O-CA 3.48Å; T91-W100 WeakPolarHBondContact O-CB 3.47Å; T91-R101 CarbonylContact C-O 3.55Å; T91-R101 PolarHBondContact O-N 3.15Å
92C94.4Very high94.6Very high34 Ų3477.6 Ų77.623%0.2336%0.361CS..  trans-89.470.1-179.5-1790000110.9A88 G89 R94 R101 C102A88-C92 WeakPolarHBondContact O-CB 3.25Å; A88-C92 PolarHBondContact O-N 3.23Å; G89-C92 PolarHBondContact O-N 3.44Å; C92-R94 PolarHBondContact SG-NH1 3.26Å; C92-R101 VanDerWaalsContact CA-O 3.31Å; C92-R101 WeakPolarHBondContact CA-O 3.02Å; C92-R101 VanDerWaalsContact CB-O 3.25Å; C92-R101 WeakPolarHBondContact CB-O 3.09Å; C92-R101 PolarHBondContact N-O 3.4Å; C92-C102 WeakPolarHBondContact CA-SG 3.36Å; C92-C102 HydrophobicContact CB-CB 3.99Å; C92-C102 WeakPolarHBondContact CB-SG 3.31Å; C92-C102 VanDerWaalsContact SG-CA 3.59Å; C92-C102 WeakPolarHBondContact SG-CB 3.45Å; C92-C102 CovalentContact SG-SG 2.03Å; C92-C102 PolarHBondContact SG-SG 3.17Å
93Q89.8Confident94.6Very high121 Ų12174.1 Ų74.157%0.56535%0.345SS*.  trans-96.3-23.3-176.9-69.3173.3-60.400112.9T91 E95 M98T91-Q93 VanDerWaalsContact C-N 3.35Å; T91-Q93 PolarHBondContact O-N 3.48Å; T91-Q93 VanDerWaalsContact O-N 3.14Å; Q93-E95 HydrophobicContact CB-CG 4.32Å; Q93-E95 PolarHBondContact O-N 3.03Å; Q93-M98 HydrophobicContact CB-CE 3.08Å; Q93-M98 HydrophobicContact CG-CE 3.74Å
94R92Very high94.5Very high65 Ų6570.5 Ų70.525%0.24533%0.333CS..  trans58.426-179.9-62.4-174.1173.292.2-3.8114.9C92 W100 E104 T116 L117C92-R94 PolarHBondContact SG-NH1 3.26Å; R94-W100 HydrophobicContact CB-CZ2 4.48Å; R94-W100 HydrophobicContact CG-CD2 4.42Å; R94-W100 HydrophobicContact CG-CE3 4.35Å; R94-W100 HydrophobicContact CG-CH2 4.25Å; R94-W100 HydrophobicContact CG-CZ2 4.31Å; R94-W100 HydrophobicContact CG-CZ3 4.28Å; R94-E104 IonicContact NH2-OE1 3.96Å; R94-E104 PolarHBondContact NH2-OE1 3.22Å; R94-T116 PolarHBondContact NE-O 2.91Å; R94-T116 PolarHBondContact NH2-O 2.82Å; R94-L117 WeakPolarHBondContact CD-O 3.42Å
95E91.2Very high94.5Very high79 Ų7970 Ų7037%0.36933%0.334SS..  trans-80.5139.9172.1-55.7-68.7163.900110.9Q93 Y97 M98 W100Q93-E95 HydrophobicContact CB-CG 4.32Å; Q93-E95 PolarHBondContact O-N 3.03Å; E95-Y97 VanDerWaalsContact C-N 3.31Å; E95-Y97 HydrophobicContact CB-CD1 4.09Å; E95-Y97 HydrophobicContact CB-CE1 3.68Å; E95-Y97 HydrophobicContact CG-CE1 4.11Å; E95-Y97 PolarHBondContact O-N 3.45Å; E95-M98 HydrophobicContact CB-CE 3.51Å; E95-M98 HydrophobicContact CB-CG 3.98Å; E95-M98 HydrophobicContact CB-SD 3.86Å; E95-M98 HydrophobicContact CG-CE 3.35Å; E95-M98 HydrophobicContact CG-SD 4.03Å; E95-W100 PolarHBondContact O-NE1 2.93Å; E95-W100 VanDerWaalsContact O-NE1 3.1Å
96W90.2Very high94.6Very high190 Ų19068 Ų6872%0.7233%0.33SS*.THydrogen-bonded Turntrans-72.3-20-174.265.9-90.9000114.2Y55Y55-W96 WeakPolarHBondContact CE1-O 3.07Å
97Y89.5Confident94.5Very high128 Ų12867.4 Ų67.450%0.50233%0.327SS..THydrogen-bonded Turntrans-96-6-172.856.1-90.3000114.1R67 E95R67-Y97 PolarHBondContact NE-O 2.84Å; E95-Y97 VanDerWaalsContact C-N 3.31Å; E95-Y97 HydrophobicContact CB-CD1 4.09Å; E95-Y97 HydrophobicContact CB-CE1 3.68Å; E95-Y97 HydrophobicContact CG-CE1 4.11Å; E95-Y97 PolarHBondContact O-N 3.45Å
98M91.6Very high94.4Very high38 Ų3865.6 Ų65.619%0.18733%0.325CS..SBendtrans-134.6164.2-173.372.8-162.5-169.200112.5Q93 E95Q93-M98 HydrophobicContact CB-CE 3.08Å; Q93-M98 HydrophobicContact CG-CE 3.74Å; E95-M98 HydrophobicContact CB-CE 3.51Å; E95-M98 HydrophobicContact CB-CG 3.98Å; E95-M98 HydrophobicContact CB-SD 3.86Å; E95-M98 HydrophobicContact CG-CE 3.35Å; E95-M98 HydrophobicContact CG-SD 4.03Å
99D94.4Very high94.4Very high81 Ų8172.5 Ų72.543%0.43336%0.358SS..  trans-72.5133.5174.8-63.1-72000110.7Y55 T56 R67Y55-D99 WeakPolarHBondContact O-CA 3.05Å; T56-D99 WeakPolarHBondContact CA-OD1 3.05Å; T56-D99 WeakPolarHBondContact CB-OD1 3.34Å; T56-D99 PolarHBondContact OG1-OD1 2.85Å; R67-D99 IonicContact CZ-OD1 3.13Å; R67-D99 IonicContact CZ-OD2 3.56Å; R67-D99 IonicContact NH1-OD1 2.88Å; R67-D99 PolarHBondContact NH1-OD1 3.24Å; R67-D99 IonicContact NH1-OD2 2.69Å; R67-D99 PolarHBondContact NH1-OD2 3.03Å; R67-D99 VanDerWaalsContact NH1-OD2 3.13Å; R67-D99 IonicContact NH2-OD1 3.52Å; R67-D99 IonicContact NH2-OD2 2.65Å; R67-D99 PolarHBondContact NH2-OD2 3.44Å
100W95.8Very high94.6Very high16 Ų1672.3 Ų72.36%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-145.4156.4174.755-99.2000111.7I53 Y55 T91 R94 E95 C102 L117I53-W100 HydrophobicContact CB-CZ3 4.07Å; I53-W100 HydrophobicContact CG2-CH2 3.74Å; I53-W100 HydrophobicContact CG2-CZ3 3.63Å; Y55-W100 VanDerWaalsContact CB-CD2 3.49Å; Y55-W100 AromaticContact CD1-CD1 3.71Å; Y55-W100 AromaticContact CD1-CE2 3.83Å; Y55-W100 HydrophobicContact CD1-CZ2 4.34Å; Y55-W100 AromaticContact CD1-NE1 3.17Å; Y55-W100 HydrophobicContact CD2-CZ2 4.19Å; Y55-W100 HydrophobicContact CG-CD2 4.37Å; Y55-W100 AromaticContact CG-CE2 3.57Å; Y55-W100 AromaticContact CG-CZ2 3.74Å; Y55-W100 HydrophobicContact CG-CZ2 3.74Å; Y55-W100 AromaticContact CG-NE1 3.44Å; Y55-W100 PolarHBondContact N-O 2.89Å; Y55-W100 PolarHBondContact O-N 2.9Å; T91-W100 WeakPolarHBondContact O-CA 3.48Å; T91-W100 WeakPolarHBondContact O-CB 3.47Å; R94-W100 HydrophobicContact CB-CZ2 4.48Å; R94-W100 HydrophobicContact CG-CD2 4.42Å; R94-W100 HydrophobicContact CG-CE3 4.35Å; R94-W100 HydrophobicContact CG-CH2 4.25Å; R94-W100 HydrophobicContact CG-CZ2 4.31Å; R94-W100 HydrophobicContact CG-CZ3 4.28Å; E95-W100 PolarHBondContact O-NE1 2.93Å; E95-W100 VanDerWaalsContact O-NE1 3.1Å; W100-C102 HydrophobicContact CE3-CB 4.27Å; W100-C102 VanDerWaalsContact CE3-SG 3.56Å; W100-C102 HydrophobicContact CZ3-CB 4.07Å; W100-L117 HydrophobicContact CH2-CD2 4.36Å
101R96.4Very high94.8Very high67 Ų6766.6 Ų66.625%0.25333%0.325SS..EExtended strand (participates in β ladder)trans-132126.9175.3-171.2-176.580.6138.46.8109.6I53 A88 T91 C92I53-R101 CarbonylContact O-C 3.57Å; I53-R101 WeakPolarHBondContact O-CA 3.32Å; A88-R101 VanDerWaalsContact O-O 3.06Å; T91-R101 CarbonylContact C-O 3.55Å; T91-R101 PolarHBondContact O-N 3.15Å; C92-R101 VanDerWaalsContact CA-O 3.31Å; C92-R101 WeakPolarHBondContact CA-O 3.02Å; C92-R101 VanDerWaalsContact CB-O 3.25Å; C92-R101 WeakPolarHBondContact CB-O 3.09Å; C92-R101 PolarHBondContact N-O 3.4Å
102C97.3Very high95.1Very high0 Ų063.5 Ų63.50%031%0.306CS..EExtended strand (participates in β ladder)trans-120.3147.6175-66.60000110.1I53 C92 W100I53-C102 HydrophobicContact CB-CB 4.46Å; I53-C102 PolarHBondContact N-O 2.71Å; I53-C102 PolarHBondContact O-N 3.37Å; C92-C102 WeakPolarHBondContact CA-SG 3.36Å; C92-C102 HydrophobicContact CB-CB 3.99Å; C92-C102 WeakPolarHBondContact CB-SG 3.31Å; C92-C102 VanDerWaalsContact SG-CA 3.59Å; C92-C102 WeakPolarHBondContact SG-CB 3.45Å; C92-C102 CovalentContact SG-SG 2.03Å; C92-C102 PolarHBondContact SG-SG 3.17Å; W100-C102 HydrophobicContact CE3-CB 4.27Å; W100-C102 VanDerWaalsContact CE3-SG 3.56Å; W100-C102 HydrophobicContact CZ3-CB 4.07Å
103V98.2Very high95.2Very high11 Ų1165.9 Ų65.97%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-127132.6173.3166.60000108.5I50 T51 N52 Q84 K85 A88I50-V103 HydrophobicContact CD1-CG1 3.72Å; I50-V103 HydrophobicContact CG1-CG1 3.89Å; T51-V103 CarbonylContact O-C 3.6Å; T51-V103 WeakPolarHBondContact O-CA 3.29Å; N52-V103 HydrophobicContact CB-CG2 4.25Å; N52-V103 WeakPolarHBondContact ND2-CG2 3.33Å; Q84-V103 HydrophobicContact CB-CG1 4.28Å; K85-V103 HydrophobicContact CB-CB 4.23Å; K85-V103 HydrophobicContact CB-CG1 3.88Å; A88-V103 HydrophobicContact CB-CB 3.97Å; A88-V103 HydrophobicContact CB-CG2 3.66Å
104E97.7Very high95.6Very high38 Ų3868.4 Ų68.418%0.17832%0.317CS..EExtended strand (participates in β ladder)trans-120.4132.2179.8-69.7166.8-163.100108.4T51 I53 R94 T116T51-E104 PolarHBondContact N-O 3.43Å; T51-E104 PolarHBondContact O-N 2.86Å; I53-E104 VanDerWaalsContact CD1-OE1 3.32Å; I53-E104 WeakPolarHBondContact CD1-OE1 3.31Å; R94-E104 IonicContact NH2-OE1 3.96Å; R94-E104 PolarHBondContact NH2-OE1 3.22Å; E104-T116 WeakPolarHBondContact OE1-CA 3.11Å; E104-T116 WeakPolarHBondContact OE1-CB 3.14Å; E104-T116 PolarHBondContact OE1-N 3.03Å; E104-T116 PolarHBondContact OE1-OG1 2.88Å; E104-T116 PolarHBondContact OE2-N 2.97Å; E104-T116 VanDerWaalsContact OE2-N 3.08Å; E104-T116 PolarHBondContact OE2-OG1 2.92Å
105C98.4Very high95.7Very high30 Ų3066.3 Ų66.320%0.20331%0.313CS..EExtended strand (participates in β ladder)trans-119.9136.6-179.2-60.30000108.5C81 K85C81-C105 HydrophobicContact CB-CB 4.01Å; C81-C105 WeakPolarHBondContact CB-SG 3.2Å; C81-C105 PolarHBondContact O-SG 2.91Å; C81-C105 VanDerWaalsContact SG-CA 3.56Å; C81-C105 WeakPolarHBondContact SG-CB 3.35Å; C81-C105 CovalentContact SG-SG 2.03Å; C81-C105 PolarHBondContact SG-SG 3.39Å; K85-C105 HydrophobicContact CD-CB 4.36Å
106C98.4Very high95.8Very high38 Ų3865.5 Ų65.526%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-145.5160.4171.664.50000110.1S48 C49 C111 N112S48-C106 WeakPolarHBondContact CA-O 3.25Å; C49-C106 PolarHBondContact N-O 2.88Å; C49-C106 PolarHBondContact O-N 3.48Å; C49-C106 VanDerWaalsContact O-N 3.12Å; C106-C111 HydrophobicContact CB-CB 3.88Å; C106-C111 WeakPolarHBondContact CB-SG 3.27Å; C106-C111 PolarHBondContact O-SG 2.9Å; C106-C111 WeakPolarHBondContact SG-CB 3.32Å; C106-C111 CovalentContact SG-SG 2.05Å; C106-C111 PolarHBondContact SG-SG 3.5Å; C106-N112 PolarHBondContact SG-N 3.31Å
107Q97Very high95.7Very high127 Ų12759.8 Ų59.859%0.59330%0.297SS*.  trans-121.5139.7175.6-61.2-177.4-41.800108.4H47 S48 T78H47-Q107 WeakPolarHBondContact O-CG 3.21Å; S48-Q107 WeakPolarHBondContact OG-CG 3.4Å; T78-Q107 PolarHBondContact OG1-NE2 3.18Å; T78-Q107 VanDerWaalsContact OG1-NE2 3.09Å
108G94.6Very high95.4Very high32 Ų3258.4 Ų58.433%0.3331%0.306SS..SBendtrans123.4163-178.200000112.7M20 L110 C111M20-G108 PolarHBondContact SD-N 3.34Å; M20-G108 VanDerWaalsContact SD-N 3.45Å; G108-L110 PolarHBondContact O-N 3.32Å; G108-C111 PolarHBondContact O-N 3.11Å; G108-C111 PolarHBondContact O-SG 2.03Å; G108-C111 VanDerWaalsContact O-SG 3.41Å
109E96.2Very high94.4Very high145 Ų14559 Ų5968%0.67832%0.321SS*.THydrogen-bonded Turntrans-61122.9-178-171.6173.4-169.400111.2C111E109-C111 PolarHBondContact O-N 3.36Å
110L97.5Very high93.1Very high45 Ų4564.5 Ų64.524%0.23634%0.337CS..THydrogen-bonded Turntrans52.326.4175.5-59.3179.8000113.6E21 Y23 T39 G108 N112 Y113E21-L110 HydrophobicContact CB-CD2 4.05Å; E21-L110 HydrophobicContact CB-CG 4.5Å; E21-L110 HydrophobicContact CG-CD2 3.84Å; E21-L110 PolarHBondContact O-N 3.3Å; Y23-L110 HydrophobicContact CD2-CB 4.27Å; Y23-L110 HydrophobicContact CD2-CD2 4.27Å; Y23-L110 HydrophobicContact CE2-CB 3.64Å; Y23-L110 HydrophobicContact CE2-CD2 4.07Å; Y23-L110 HydrophobicContact CE2-CG 4.3Å; Y23-L110 WeakPolarHBondContact CE2-O 3.06Å; T39-L110 HydrophobicContact CG2-CD2 3.48Å; T39-L110 VanDerWaalsContact CG2-CD2 3.48Å; G108-L110 PolarHBondContact O-N 3.32Å; L110-N112 PolarHBondContact O-N 3.08Å; L110-Y113 PolarHBondContact O-N 2.83Å
111C98Very high91.7Very high45 Ų4573.8 Ų73.830%0.30437%0.372SS..THydrogen-bonded Turntrans-66.5-23.2-171.868.60000113.1C49 C106 G108 E109 Y113C49-C111 VanDerWaalsContact SG-SG 3.62Å; C106-C111 HydrophobicContact CB-CB 3.88Å; C106-C111 WeakPolarHBondContact CB-SG 3.27Å; C106-C111 PolarHBondContact O-SG 2.9Å; C106-C111 WeakPolarHBondContact SG-CB 3.32Å; C106-C111 CovalentContact SG-SG 2.05Å; C106-C111 PolarHBondContact SG-SG 3.5Å; G108-C111 PolarHBondContact O-N 3.11Å; G108-C111 PolarHBondContact O-SG 2.03Å; G108-C111 VanDerWaalsContact O-SG 3.41Å; E109-C111 PolarHBondContact O-N 3.36Å; C111-Y113 PolarHBondContact O-N 2.74Å
112N98Very high90.4Very high4 Ų475.8 Ų75.82%0.02139%0.387CS..THydrogen-bonded Turntrans-87.428.5-177.370.8-27.2000112.8Y23 C49 I50 K73 C106 L110Y23-N112 WeakPolarHBondContact CB-OD1 3.31Å; Y23-N112 WeakPolarHBondContact CD2-OD1 3.45Å; Y23-N112 PolarHBondContact N-OD1 2.84Å; Y23-N112 PolarHBondContact O-ND2 3.39Å; C49-N112 HydrophobicContact CB-CB 3.57Å; I50-N112 PolarHBondContact O-ND2 3.38Å; K73-N112 WeakPolarHBondContact CE-O 3.35Å; K73-N112 PolarHBondContact NZ-O 2.94Å; C106-N112 PolarHBondContact SG-N 3.31Å; L110-N112 PolarHBondContact O-N 3.08Å
113Y98.1Very high89.2Confident83 Ų8385.4 Ų85.433%0.32542%0.424SS..  trans-60-48.6177.5-176.3-96.1000112Y23 N31 I36 L110 C111Y23-Y113 HydrophobicContact CD2-CD2 4.27Å; Y23-Y113 HydrophobicContact CE1-CD2 4.31Å; Y23-Y113 AromaticContact CE2-CD2 3.51Å; Y23-Y113 HydrophobicContact CE2-CD2 3.51Å; Y23-Y113 HydrophobicContact CE2-CG 4.1Å; Y23-Y113 AromaticContact CZ-CD2 3.55Å; N31-Y113 PolarHBondContact ND2-O 3.31Å; I36-Y113 HydrophobicContact CB-CD2 4.4Å; I36-Y113 HydrophobicContact CB-CE2 3.85Å; I36-Y113 HydrophobicContact CG2-CD2 4.42Å; I36-Y113 HydrophobicContact CG2-CE2 4.13Å; L110-Y113 PolarHBondContact O-N 2.83Å; C111-Y113 PolarHBondContact O-N 2.74Å
114Y96.4Very high88Confident175 Ų17590.8 Ų90.869%0.68645%0.452SS*.  trans-84.2164.6-177-61.2-72000112.4K73K73-Y114 PolarHBondContact NZ-O 2.77Å; K73-Y114 VanDerWaalsContact NZ-O 3.11Å
115A95.1Very high87.3Confident20 Ų2093.2 Ų93.217%0.16547%0.466CS..  trans-140.6123172.300000108.6N31 T51 I53 L71 L117N31-A115 HydrophobicContact CB-CB 4.46Å; T51-A115 HydrophobicContact CG2-CB 4Å; I53-A115 HydrophobicContact CD1-CB 3.8Å; I53-A115 HydrophobicContact CG1-CB 4.19Å; L71-A115 HydrophobicContact CD2-CB 3.53Å; L71-A115 HydrophobicContact CG-CB 4.43Å; A115-L117 PolarHBondContact O-N 2.06Å
116T92.9Very high86.7Confident62 Ų6299.7 Ų99.738%0.3849%0.491SS..  trans-86.4104.6-171.4-45.10000111.2R94 E104 S118R94-T116 PolarHBondContact NE-O 2.91Å; R94-T116 PolarHBondContact NH2-O 2.82Å; E104-T116 WeakPolarHBondContact OE1-CA 3.11Å; E104-T116 WeakPolarHBondContact OE1-CB 3.14Å; E104-T116 PolarHBondContact OE1-N 3.03Å; E104-T116 PolarHBondContact OE1-OG1 2.88Å; E104-T116 PolarHBondContact OE2-N 2.97Å; E104-T116 VanDerWaalsContact OE2-N 3.08Å; E104-T116 PolarHBondContact OE2-OG1 2.92Å; T116-S118 WeakPolarHBondContact CG2-O 3.39Å
117L88.3Confident86.2Confident71 Ų71103.5 Ų103.537%0.37251%0.509SS..SBendtrans-82.4-26.2179-59.6-176.4000113.8I53 H69 R94 W100 A115I53-L117 HydrophobicContact CG2-CD2 3.9Å; H69-L117 HydrophobicContact CB-CD2 3.93Å; R94-L117 WeakPolarHBondContact CD-O 3.42Å; W100-L117 HydrophobicContact CH2-CD2 4.36Å; A115-L117 PolarHBondContact O-N 2.06Å
118S82.4Confident85.8Confident99 Ų99102.2 Ų102.269%0.69251%0.506SS*.  trans-142.9141.9177.6-179.30000109.8T116T116-S118 WeakPolarHBondContact CG2-O 3.39Å
119G72.2Confident85.5Confident49 Ų49104.6 Ų104.651%0.50551%0.51SS..  trans-164.8135.4175.300000108.7
120Y67.2Low85.4Confident198 Ų198102.3 Ų102.378%0.77650%0.501SS*.  trans-102.3136173.459.3-80.2000108.6I122Y120-I122 HydrophobicContact CD2-CD1 4.25Å; Y120-I122 HydrophobicContact CD2-CG1 3.57Å; Y120-I122 HydrophobicContact CE2-CD1 3.5Å; Y120-I122 HydrophobicContact CE2-CG1 3.35Å; Y120-I122 PolarHBondContact O-N 3.25Å
121R66.1Low85.1Confident210 Ų210103 Ų10379%0.79251%0.51SS*.  trans-83.5114172.5-72.6-175.9178.9-85.71.7108.2Y123R121-Y123 HydrophobicContact CB-CE2 4.15Å; R121-Y123 PolarHBondContact O-N 3.21Å
122I69Low84.9Confident109 Ų109105 Ų10556%0.55952%0.517SS*.  trans-82.3109.3168.3-51.1174.3000106.9Y120 L124Y120-I122 HydrophobicContact CD2-CD1 4.25Å; Y120-I122 HydrophobicContact CD2-CG1 3.57Å; Y120-I122 HydrophobicContact CE2-CD1 3.5Å; Y120-I122 HydrophobicContact CE2-CG1 3.35Å; Y120-I122 PolarHBondContact O-N 3.25Å; I122-L124 HydrophobicContact CG2-CD2 3.83Å; I122-L124 HydrophobicContact CG2-CG 4.09Å; I122-L124 PolarHBondContact O-N 3.01Å; I122-L124 VanDerWaalsContact O-N 3.15Å
123Y72Confident84.6Confident202 Ų202109.6 Ų109.679%0.79254%0.539SS*.  trans-77.497.2165.7-66.2-83.5000107.4R121 D125R121-Y123 HydrophobicContact CB-CE2 4.15Å; R121-Y123 PolarHBondContact O-N 3.21Å; Y123-D125 PolarHBondContact O-N 3.16Å
124L72.6Confident84.5Confident124 Ų124110.3 Ų110.365%0.64955%0.548SS*.  trans-74.1112.7167.7-67.4175.6000107.9I122 K126 I129I122-L124 HydrophobicContact CG2-CD2 3.83Å; I122-L124 HydrophobicContact CG2-CG 4.09Å; I122-L124 PolarHBondContact O-N 3.01Å; I122-L124 VanDerWaalsContact O-N 3.15Å; L124-K126 PolarHBondContact O-N 3.24Å; L124-K126 VanDerWaalsContact O-N 3.14Å; L124-I129 HydrophobicContact CB-CD1 3.79Å; L124-I129 HydrophobicContact CD1-CD1 4.15Å; L124-I129 HydrophobicContact CG-CD1 4.43Å
125D82.7Confident84.4Confident89 Ų89108 Ų10848%0.47655%0.546SS..  trans-64.1115.2172.8-177.2-3.9000109.1Y123 N127 L128 I129Y123-D125 PolarHBondContact O-N 3.16Å; D125-N127 PolarHBondContact O-N 3.36Å; D125-N127 WeakPolarHBondContact OD1-CB 3.34Å; D125-N127 PolarHBondContact OD1-N 3.14Å; D125-N127 PolarHBondContact OD1-ND2 3.27Å; D125-L128 HydrophobicContact CB-CB 3.95Å; D125-L128 WeakPolarHBondContact O-CB 3.33Å; D125-L128 PolarHBondContact O-N 3.26Å; D125-I129 PolarHBondContact O-N 3.31Å; D125-I129 VanDerWaalsContact O-N 3.11Å
126K86.2Confident84.4Confident166 Ų166110.9 Ų110.972%0.72256%0.559SS**Hα-helixtrans-59.7-35.6179.5-65.7-175.6179.2-177.40111.5L124 L128 I129 I130L124-K126 PolarHBondContact O-N 3.24Å; L124-K126 VanDerWaalsContact O-N 3.14Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-I129 PolarHBondContact O-N 3.03Å; K126-I130 WeakPolarHBondContact O-CD1 3.33Å; K126-I130 VanDerWaalsContact O-CG1 3.25Å; K126-I130 WeakPolarHBondContact O-CG1 3.47Å; K126-I130 PolarHBondContact O-N 3.24Å
127N88Confident84.6Confident118 Ų118112.3 Ų112.363%0.63156%0.563SS**Hα-helixtrans-67.4-39.9179.5-62.3-52.4000110.8D125 I130 S131D125-N127 PolarHBondContact O-N 3.36Å; D125-N127 WeakPolarHBondContact OD1-CB 3.34Å; D125-N127 PolarHBondContact OD1-N 3.14Å; D125-N127 PolarHBondContact OD1-ND2 3.27Å; N127-I130 PolarHBondContact O-N 2.87Å; N127-S131 WeakPolarHBondContact O-CB 3.37Å; N127-S131 PolarHBondContact O-N 2.88Å; N127-S131 PolarHBondContact O-OG 2.79Å
128L87.5Confident84.8Confident101 Ų101112 Ų11253%0.52956%0.564SS.*Hα-helixtrans-61.1-47.3174.7-174.966.8000110.9D125 K126 I130 S131 I132D125-L128 HydrophobicContact CB-CB 3.95Å; D125-L128 WeakPolarHBondContact O-CB 3.33Å; D125-L128 PolarHBondContact O-N 3.26Å; K126-L128 VanDerWaalsContact C-N 3.34Å; L128-I130 PolarHBondContact O-N 2.88Å; L128-S131 PolarHBondContact O-N 3.21Å; L128-S131 PolarHBondContact O-OG 3.22Å; L128-I132 HydrophobicContact CD1-CD1 4.33Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 WeakPolarHBondContact O-CG1 3.16Å; L128-I132 PolarHBondContact O-N 3.19Å; L128-I132 VanDerWaalsContact O-N 3.07Å
129I89.2Confident85.4Confident81 Ų81115.4 Ų115.442%0.41556%0.563SS.*Hα-helixtrans-60.9-45.3178.5-66.4175.5000111.3L124 D125 K126 S131 I132 M133L124-I129 HydrophobicContact CB-CD1 3.79Å; L124-I129 HydrophobicContact CD1-CD1 4.15Å; L124-I129 HydrophobicContact CG-CD1 4.43Å; D125-I129 PolarHBondContact O-N 3.31Å; D125-I129 VanDerWaalsContact O-N 3.11Å; K126-I129 PolarHBondContact O-N 3.03Å; I129-S131 VanDerWaalsContact C-N 3.35Å; I129-S131 PolarHBondContact O-N 2.76Å; I129-I132 PolarHBondContact O-N 3.14Å; I129-M133 WeakPolarHBondContact O-CG 3.37Å; I129-M133 PolarHBondContact O-N 3.36Å
130I93.7Very high86.2Confident97 Ų97120.2 Ų120.250%0.49757%0.572SS.*Hα-helixtrans-63.3-42.2179.1-68.1165.5000110.7K126 N127 L128 I132 M133 I134K126-I130 WeakPolarHBondContact O-CD1 3.33Å; K126-I130 VanDerWaalsContact O-CG1 3.25Å; K126-I130 WeakPolarHBondContact O-CG1 3.47Å; K126-I130 PolarHBondContact O-N 3.24Å; N127-I130 PolarHBondContact O-N 2.87Å; L128-I130 PolarHBondContact O-N 2.88Å; I130-I132 VanDerWaalsContact C-N 3.35Å; I130-I132 PolarHBondContact O-N 3.22Å; I130-M133 PolarHBondContact O-N 3.13Å; I130-I134 HydrophobicContact CG2-CD1 3.79Å; I130-I134 HydrophobicContact CG2-CG1 4.37Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 2.65Å
131S92.6Very high87.2Confident60 Ų60117.1 Ų117.142%0.4257%0.568SS.*Hα-helixtrans-62.3-40.8179.272.90000112.6N127 L128 I129 I134 L135N127-S131 WeakPolarHBondContact O-CB 3.37Å; N127-S131 PolarHBondContact O-N 2.88Å; N127-S131 PolarHBondContact O-OG 2.79Å; L128-S131 PolarHBondContact O-N 3.21Å; L128-S131 PolarHBondContact O-OG 3.22Å; I129-S131 VanDerWaalsContact C-N 3.35Å; I129-S131 PolarHBondContact O-N 2.76Å; S131-I134 PolarHBondContact O-N 2.88Å; S131-L135 WeakPolarHBondContact O-CB 3.36Å; S131-L135 PolarHBondContact O-N 3Å
132I93.4Very high87.8Confident87 Ų87117.6 Ų117.645%0.44658%0.577SS.*Hα-helixtrans-65.6-43176.3-66.4167.3000110.1L128 I129 I130 I134 L135 L136L128-I132 HydrophobicContact CD1-CD1 4.33Å; L128-I132 HydrophobicContact CG-CD1 4.06Å; L128-I132 WeakPolarHBondContact O-CG1 3.16Å; L128-I132 PolarHBondContact O-N 3.19Å; L128-I132 VanDerWaalsContact O-N 3.07Å; I129-I132 PolarHBondContact O-N 3.14Å; I130-I132 VanDerWaalsContact C-N 3.35Å; I130-I132 PolarHBondContact O-N 3.22Å; I132-I134 PolarHBondContact O-N 3.1Å; I132-L135 PolarHBondContact O-N 2.92Å; I132-L136 HydrophobicContact CG2-CD1 4.12Å; I132-L136 VanDerWaalsContact O-CG 3.32Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 2.9Å
133M92.2Very high88.7Confident100 Ų100118.1 Ų118.149%0.49358%0.578SS.*Hα-helixtrans-61.9-41.9176.9-73.7-60.8-55.100112.6I129 I130 L136 I137I129-M133 WeakPolarHBondContact O-CG 3.37Å; I129-M133 PolarHBondContact O-N 3.36Å; I130-M133 PolarHBondContact O-N 3.13Å; M133-L136 PolarHBondContact O-N 2.84Å; M133-I137 WeakPolarHBondContact O-CD1 3.38Å; M133-I137 WeakPolarHBondContact O-CG1 3.37Å; M133-I137 PolarHBondContact O-N 2.7Å
134I94.8Very high89.6Confident98 Ų98113.6 Ų113.650%0.50357%0.566SS.*Hα-helixtrans-64.1-44.9176.3-67.7167.9000110.5I130 S131 I132 L136 I137 V138I130-I134 HydrophobicContact CG2-CD1 3.79Å; I130-I134 HydrophobicContact CG2-CG1 4.37Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 2.65Å; S131-I134 PolarHBondContact O-N 2.88Å; I132-I134 PolarHBondContact O-N 3.1Å; I134-L136 VanDerWaalsContact C-N 3.3Å; I134-L136 PolarHBondContact O-N 2.6Å; I134-I137 PolarHBondContact O-N 3.26Å; I134-V138 HydrophobicContact CG2-CG2 4.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.11Å; I134-V138 PolarHBondContact O-N 3.42Å
135L94.9Very high90.5Very high126 Ų126113.1 Ų113.166%0.6656%0.562SS**Hα-helixtrans-59.4-41.6178.6-166.282.9000111.7S131 I132 V138 Y139S131-L135 WeakPolarHBondContact O-CB 3.36Å; S131-L135 PolarHBondContact O-N 3Å; I132-L135 PolarHBondContact O-N 2.92Å; L135-V138 PolarHBondContact O-N 3.44Å; L135-Y139 WeakPolarHBondContact O-CB 3.4Å; L135-Y139 PolarHBondContact O-N 3.46Å
136L95.4Very high91Very high81 Ų81114.5 Ų114.542%0.42457%0.567SS.*Hα-helixtrans-65.6-41.8176.8-70171.4000112.2I132 M133 I134 Y139 H140I132-L136 HydrophobicContact CG2-CD1 4.12Å; I132-L136 VanDerWaalsContact O-CG 3.32Å; I132-L136 WeakPolarHBondContact O-CG 3.38Å; I132-L136 PolarHBondContact O-N 2.9Å; M133-L136 PolarHBondContact O-N 2.84Å; I134-L136 VanDerWaalsContact C-N 3.3Å; I134-L136 PolarHBondContact O-N 2.6Å; L136-Y139 PolarHBondContact O-N 3.26Å; L136-H140 PolarHBondContact O-CD2 2.96Å; L136-H140 PolarHBondContact O-N 3.38Å
137I95.4Very high91.3Very high92 Ų92111.3 Ų111.347%0.47256%0.557SS.*Hα-helixtrans-63.8-45.1176.5-69.5160.8000110.5M133 I134 Y139 H140 L141M133-I137 WeakPolarHBondContact O-CD1 3.38Å; M133-I137 WeakPolarHBondContact O-CG1 3.37Å; M133-I137 PolarHBondContact O-N 2.7Å; I134-I137 PolarHBondContact O-N 3.26Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 3.29Å; I137-H140 PolarHBondContact O-N 3.02Å; I137-H140 VanDerWaalsContact O-N 3.17Å; I137-L141 HydrophobicContact CG2-CD1 3.79Å; I137-L141 HydrophobicContact CG2-CG 4.36Å; I137-L141 WeakPolarHBondContact O-CG 2.99Å; I137-L141 PolarHBondContact O-N 3.3Å
138V94.2Very high91.5Very high66 Ų66110.8 Ų110.840%0.455%0.552SS.*Hα-helixtrans-60.2-46.2176.4172.20000110.1I134 L135 H140 L141 F142I134-V138 HydrophobicContact CG2-CG2 4.3Å; I134-V138 WeakPolarHBondContact O-CG2 3.11Å; I134-V138 PolarHBondContact O-N 3.42Å; L135-V138 PolarHBondContact O-N 3.44Å; V138-H140 PolarHBondContact O-N 3.2Å; V138-L141 PolarHBondContact O-N 3.3Å; V138-L141 VanDerWaalsContact O-N 3.11Å; V138-F142 HydrophobicContact CG1-CD2 3.78Å; V138-F142 HydrophobicContact CG1-CE2 3.97Å; V138-F142 VanDerWaalsContact O-CD2 3.3Å; V138-F142 WeakPolarHBondContact O-CD2 3.44Å; V138-F142 PolarHBondContact O-N 3.18Å
139Y93.7Very high91.8Very high170 Ų170111.5 Ų111.567%0.66755%0.554SS**Hα-helixtrans-61-28.6176.8-179.7-96.1000113.8L135 L136 I137L135-Y139 WeakPolarHBondContact O-CB 3.4Å; L135-Y139 PolarHBondContact O-N 3.46Å; L136-Y139 PolarHBondContact O-N 3.26Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 3.29Å
140H89Confident92Very high149 Ų149113.8 Ų113.869%0.6956%0.564SS**Hα-helixtrans-85.5-19176.3-77.7-58.9000114L136 I137 V138L136-H140 PolarHBondContact O-CD2 2.96Å; L136-H140 PolarHBondContact O-N 3.38Å; I137-H140 PolarHBondContact O-N 3.02Å; I137-H140 VanDerWaalsContact O-N 3.17Å; V138-H140 PolarHBondContact O-N 3.2Å
141L88.3Confident91.9Very high133 Ų133115.3 Ų115.370%0.69657%0.57SS**Hα-helixtrans-87.9-16.2177.7-72173.2000113.2I137 V138I137-L141 HydrophobicContact CG2-CD1 3.79Å; I137-L141 HydrophobicContact CG2-CG 4.36Å; I137-L141 WeakPolarHBondContact O-CG 2.99Å; I137-L141 PolarHBondContact O-N 3.3Å; V138-L141 PolarHBondContact O-N 3.3Å; V138-L141 VanDerWaalsContact O-N 3.11Å
142F78.6Confident91.8Very high221 Ų221120.3 Ų120.397%0.96958%0.584SS**  trans-117.70179-70-76.6000111.2V138V138-F142 HydrophobicContact CG1-CD2 3.78Å; V138-F142 HydrophobicContact CG1-CE2 3.97Å; V138-F142 VanDerWaalsContact O-CD2 3.3Å; V138-F142 WeakPolarHBondContact O-CD2 3.44Å; V138-F142 PolarHBondContact O-N 3.18Å

Retrieved 142 of 142 residues in 176.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).