A0A5K4F8A0_SCHMA Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 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
1M63.4Low68Low184 Ų184115.3 Ų115.391%0.90664%0.642SS**  0-55.70-156.7170.472.400112.3L3 E4 I5M1-L3 PolarHBondContact O-N 3.36Å; M1-E4 PolarHBondContact O-N 2.99Å; M1-I5 WeakPolarHBondContact O-CG1 3.19Å; M1-I5 PolarHBondContact O-N 3.02Å
2I71.4Confident68.4Low129 Ų129114.5 Ų114.566%0.66264%0.635SS**Hα-helixtrans-62.8-41.3179.3-63.5169.4000112.7E4 I5 L6I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 PolarHBondContact O-N 3.34Å; I2-I5 PolarHBondContact O-N 2.83Å; I2-L6 HydrophobicContact CG2-CD1 4.05Å; I2-L6 PolarHBondContact O-N 3.36Å; I2-L6 VanDerWaalsContact O-N 3.16Å
3L66.4Low68.6Low148 Ų148112.9 Ų112.978%0.77563%0.633SS**Hα-helixtrans-63.1-36.4176.3-95.9101.1000113.6M1 I5 L6 S7M1-L3 PolarHBondContact O-N 3.36Å; L3-I5 VanDerWaalsContact C-N 3.32Å; L3-L6 PolarHBondContact O-N 3.11Å; L3-S7 PolarHBondContact O-N 3.3Å; L3-S7 VanDerWaalsContact O-N 3.09Å; L3-S7 PolarHBondContact O-OG 2.75Å
4E68.5Low68.5Low145 Ų145116.4 Ų116.468%0.67864%0.638SS**Hα-helixtrans-67.4-32.8177.9-62.8-81153.800111.6M1 I2 S7 L8M1-E4 PolarHBondContact O-N 2.99Å; I2-E4 VanDerWaalsContact C-N 3.34Å; I2-E4 PolarHBondContact O-N 3.34Å; E4-S7 PolarHBondContact O-OG 3.38Å; E4-L8 PolarHBondContact O-N 3.26Å
5I66.6Low68.2Low102 Ų102118.3 Ų118.352%0.52364%0.641SS.*Hα-helixtrans-74.3-39.3177.2-63.4167.2000110.4M1 I2 L3 L8 V9M1-I5 WeakPolarHBondContact O-CG1 3.19Å; M1-I5 PolarHBondContact O-N 3.02Å; I2-I5 PolarHBondContact O-N 2.83Å; L3-I5 VanDerWaalsContact C-N 3.32Å; I5-L8 PolarHBondContact O-N 2.97Å; I5-V9 WeakPolarHBondContact O-CG2 3.42Å; I5-V9 PolarHBondContact O-N 3.09Å; I5-V9 VanDerWaalsContact O-N 3.08Å
6L67.2Low68.3Low116 Ų116121.4 Ų121.461%0.60766%0.656SS**Hα-helixtrans-64.9-40.7176.6-87.3152.8000112.6I2 L3 A10I2-L6 HydrophobicContact CG2-CD1 4.05Å; I2-L6 PolarHBondContact O-N 3.36Å; I2-L6 VanDerWaalsContact O-N 3.16Å; L3-L6 PolarHBondContact O-N 3.11Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.41Å; L6-A10 VanDerWaalsContact O-N 3.11Å
7S67Low68.8Low69 Ų69121.8 Ų121.848%0.48366%0.657SS.*Hα-helixtrans-67.1-36175.757.90000112.3L3 E4 S11L3-S7 PolarHBondContact O-N 3.3Å; L3-S7 VanDerWaalsContact O-N 3.09Å; L3-S7 PolarHBondContact O-OG 2.75Å; E4-S7 PolarHBondContact O-OG 3.38Å; S7-S11 PolarHBondContact O-N 3.28Å
8L65.7Low69.9Low127 Ų127118.4 Ų118.467%0.66564%0.644SS**Hα-helixtrans-65.2-46.5176.1-143.588.4000111.6E4 I5 A10 S11E4-L8 PolarHBondContact O-N 3.26Å; I5-L8 PolarHBondContact O-N 2.97Å; L8-A10 PolarHBondContact O-N 3.33Å; L8-S11 PolarHBondContact O-N 3.28Å; L8-S11 PolarHBondContact O-OG 3.44Å
9V70.5Confident71.3Confident78 Ų78113.4 Ų113.447%0.47362%0.617SS.*Hα-helixtrans-65.5-36.5179.6175.10000112.1I5 S11 L12I5-V9 WeakPolarHBondContact O-CG2 3.42Å; I5-V9 PolarHBondContact O-N 3.09Å; I5-V9 VanDerWaalsContact O-N 3.08Å; V9-S11 PolarHBondContact O-N 3.3Å; V9-L12 PolarHBondContact O-N 3.46Å
10A69.7Low72.6Confident84 Ų84110.3 Ų110.369%0.69460%0.598SS**Hα-helixtrans-70.3-17.817800000113.9L6 L8L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.41Å; L6-A10 VanDerWaalsContact O-N 3.11Å; L8-A10 PolarHBondContact O-N 3.33Å
11S72.1Confident73.8Confident86 Ų86105 Ų10560%0.60157%0.57SS**THydrogen-bonded Turntrans-89.7-5.717867.80000114.2S7 L8 V9 P13S7-S11 PolarHBondContact O-N 3.28Å; L8-S11 PolarHBondContact O-N 3.28Å; L8-S11 PolarHBondContact O-OG 3.44Å; V9-S11 PolarHBondContact O-N 3.3Å; S11-P13 WeakPolarHBondContact O-CD 3.41Å
12L71.8Confident75.5Confident106 Ų10697.5 Ų97.556%0.55553%0.531SS*.SBendtrans-72.7119.2173.1-75.3159.5000108.9V9 F14V9-L12 PolarHBondContact O-N 3.46Å; L12-F14 WeakPolarHBondContact O-CD2 3.46Å; L12-F14 PolarHBondContact O-N 2.71Å
13P71.2Confident76.8Confident94 Ų9493.4 Ų93.461%0.6151%0.51SS*.  trans-65.9108.5173.927.2-31.7000108.5S11 H15S11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-H15 VanDerWaalsContact C-N 3.33Å; P13-H15 PolarHBondContact O-N 3.46Å
14F67.6Low78.3Confident161 Ų16186.9 Ų86.971%0.70648%0.477SS*.  trans-72.992.9166.2-66.5-82.3000107.6L12 L16L12-F14 WeakPolarHBondContact O-CD2 3.46Å; L12-F14 PolarHBondContact O-N 2.71Å; F14-L16 PolarHBondContact O-N 3.28Å; F14-L16 VanDerWaalsContact O-N 3.09Å
15H64.5Low79.7Confident146 Ų14685.2 Ų85.268%0.67648%0.477SS*.  trans-70.799.8166.5-72-77.3000108P13 D17P13-H15 VanDerWaalsContact C-N 3.33Å; P13-H15 PolarHBondContact O-N 3.46Å; H15-D17 PolarHBondContact O-N 2.95Å
16L69.1Low81.1Confident167 Ų16783.3 Ų83.387%0.87447%0.468SS*.  trans-88.182.6167.5-82.2154.6000107.4F14F14-L16 PolarHBondContact O-N 3.28Å; F14-L16 VanDerWaalsContact O-N 3.09Å
17D76.3Confident82.4Confident128 Ų12880.5 Ų80.568%0.68445%0.451SS*.PPolyproline II helixtrans-78.4122170.8-65.3-35000108.4H15H15-D17 PolarHBondContact O-N 2.95Å
18S89.6Confident83.7Confident61 Ų6180.3 Ų80.343%0.42744%0.443SS..PPolyproline II helixtrans-72.1134169.846.80000109.4E20 T40S18-E20 PolarHBondContact O-N 3.43Å; S18-T40 WeakPolarHBondContact OG-CG2 3.5Å
19L96.1Very high85Confident24 Ų2474.6 Ų74.613%0.12641%0.414CS..PPolyproline II helixtrans-50.3132.4178.8178.568.6000111.4C41 D46 T47 S107 D108L19-C41 HydrophobicContact CB-CB 4.21Å; L19-C41 VanDerWaalsContact O-CB 3.24Å; L19-C41 WeakPolarHBondContact O-CB 3.42Å; L19-C41 PolarHBondContact O-N 3Å; L19-C41 PolarHBondContact O-SG 3.37Å; L19-D46 VanDerWaalsContact CD2-C 3.4Å; L19-T47 VanDerWaalsContact CD2-N 3.35Å; L19-S107 VanDerWaalsContact CD1-C 3.42Å; L19-D108 WeakPolarHBondContact CA-OD1 3.26Å
20E97.9Very high86.2Confident51 Ų5171.9 Ų71.924%0.23840%0.397CS..EExtended strand (participates in β ladder)trans-106.6135.9170.9-66.6-168.3131.800111.5S18 I38 D108 R109S18-E20 PolarHBondContact O-N 3.43Å; E20-I38 HydrophobicContact CB-CG2 3.93Å; E20-I38 HydrophobicContact CG-CG2 4.42Å; E20-D108 PolarHBondContact N-OD1 3.5Å; E20-R109 HydrophobicContact CB-CG 4.2Å; E20-R109 PolarHBondContact O-N 3.19Å; E20-R109 IonicContact OE1-NH2 3.27Å; E20-R109 IonicContact OE2-CZ 3.93Å; E20-R109 IonicContact OE2-NE 2.69Å; E20-R109 PolarHBondContact OE2-NE 2.76Å; E20-R109 IonicContact OE2-NH2 3.22Å; E20-R109 PolarHBondContact OE2-NH2 3.14Å
21C98.3Very high87.3Confident0 Ų072.9 Ų72.90%038%0.383CS..EExtended strand (participates in β ladder)trans-130.3153.3177.9-600000111.7I38 Q39 C41 C48C21-I38 WeakPolarHBondContact O-CA 3.46Å; C21-Q39 PolarHBondContact N-O 3.16Å; C21-Q39 PolarHBondContact O-N 3.37Å; C21-C41 PolarHBondContact SG-SG 3.09Å; C21-C48 HydrophobicContact CB-CB 3.81Å; C21-C48 WeakPolarHBondContact CB-SG 3.35Å; C21-C48 WeakPolarHBondContact SG-CA 3.44Å; C21-C48 WeakPolarHBondContact SG-CB 3.37Å; C21-C48 CovalentContact SG-SG 2.02Å; C21-C48 PolarHBondContact SG-SG 3.3Å
22Y98.4Very high88.3Confident26 Ų2672.6 Ų72.610%0.10238%0.375CS..EExtended strand (participates in β ladder)trans-70.8142.2163.9-68.9-79.4000110.5I35 T37 I38 K72 R109 N111 Y112Y22-I35 VanDerWaalsContact CE1-C 3.44Å; Y22-I35 VanDerWaalsContact CE1-O 3.26Å; Y22-I35 WeakPolarHBondContact CE1-O 3.3Å; Y22-T37 CarbonylContact C-O 3.59Å; Y22-T37 VanDerWaalsContact CA-O 3.31Å; Y22-T37 WeakPolarHBondContact CA-O 3.31Å; Y22-I38 HydrophobicContact CD1-CG1 3.77Å; Y22-I38 HydrophobicContact CE1-CD1 3.93Å; Y22-I38 HydrophobicContact CE1-CG1 3.57Å; Y22-K72 WeakPolarHBondContact O-CB 2.98Å; Y22-R109 HydrophobicContact CD2-CB 4.29Å; Y22-R109 HydrophobicContact CE2-CB 3.65Å; Y22-R109 HydrophobicContact CE2-CG 4.34Å; Y22-N111 WeakPolarHBondContact CB-OD1 3.36Å; Y22-N111 WeakPolarHBondContact CD2-OD1 3.44Å; Y22-N111 PolarHBondContact N-OD1 2.95Å; Y22-N111 PolarHBondContact O-ND2 3.45Å; Y22-Y112 HydrophobicContact CD2-CD2 4.27Å; Y22-Y112 HydrophobicContact CE1-CD2 4.23Å; Y22-Y112 AromaticContact CE2-CD2 3.51Å; Y22-Y112 HydrophobicContact CE2-CD2 3.51Å; Y22-Y112 HydrophobicContact CE2-CG 4.06Å; Y22-Y112 AromaticContact CZ-CD2 3.5Å; Y22-Y112 VanDerWaalsContact CZ-CD2 3.5Å; Y22-Y112 WeakPolarHBondContact OH-CD2 3.37Å
23I98.2Very high89.4Confident43 Ų4371.3 Ų71.322%0.22137%0.369CS..  trans-126.4140.3179.766.3156.4000111.5T37 Q39 K72I23-T37 HydrophobicContact CD1-CG2 3.77Å; I23-T37 HydrophobicContact CG1-CG2 3.48Å; I23-T37 VanDerWaalsContact CG1-CG2 3.48Å; I23-T37 PolarHBondContact N-O 3.08Å; I23-Q39 HydrophobicContact CD1-CB 4.07Å; I23-Q39 HydrophobicContact CG1-CB 4.21Å; I23-Q39 HydrophobicContact CG2-CB 3.51Å; I23-K72 WeakPolarHBondContact CA-O 3.31Å
24C98.2Very high90.6Very high10 Ų1066.9 Ų66.97%0.06834%0.34CS..EExtended strand (participates in β ladder)trans-169.4159.5170.360.50000108.8E27 D33 C34 T71 K72C24-E27 HydrophobicContact CB-CG 3.82Å; C24-D33 HydrophobicContact CB-CB 4.29Å; C24-C34 HydrophobicContact CB-CB 3.88Å; C24-C34 WeakPolarHBondContact CB-SG 3.46Å; C24-C34 WeakPolarHBondContact SG-CA 3.38Å; C24-C34 WeakPolarHBondContact SG-CB 3.29Å; C24-C34 CovalentContact SG-SG 2.04Å; C24-C34 PolarHBondContact SG-SG 2.96Å; C24-T71 CarbonylContact O-C 3.58Å; C24-T71 WeakPolarHBondContact O-CA 3.27Å; C24-K72 PolarHBondContact N-O 3.43Å; C24-K72 PolarHBondContact O-N 2.7Å
25T97.5Very high91.9Very high111 Ų11161.2 Ų61.268%0.68132%0.316SS*.EExtended strand (participates in β ladder)trans-129.3110.1-177.1-60.70000110.7E27T25-E27 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.89Å
26N95.7Very high93.5Very high62 Ų6263.3 Ų63.333%0.33232%0.318SS..EExtended strand (participates in β ladder)trans54.141.7173.4-174.168.1000113.5R55 F69 V70 T71N26-R55 PolarHBondContact ND2-NH2 3.25Å; N26-R55 PolarHBondContact OD1-NH2 3.39Å; N26-F69 WeakPolarHBondContact OD1-CB 3.47Å; N26-V70 WeakPolarHBondContact CA-O 3.37Å; N26-V70 PolarHBondContact N-O 3.5Å; N26-T71 PolarHBondContact N-OG1 2.94Å
27E95.5Very high94.9Very high56 Ų5657.8 Ų57.826%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-79.5142.1176.4-68.7-58.2141.400111.1C24 T25 G29 C34 F69 V70C24-E27 HydrophobicContact CB-CG 3.82Å; T25-E27 VanDerWaalsContact C-N 3.28Å; T25-E27 PolarHBondContact O-N 2.89Å; E27-G29 PolarHBondContact O-N 3.36Å; E27-C34 VanDerWaalsContact CB-SG 3.58Å; E27-F69 CarbonylContact O-C 3.43Å; E27-F69 WeakPolarHBondContact O-CA 3.48Å; E27-V70 PolarHBondContact N-O 2.83Å; E27-V70 PolarHBondContact O-N 2.97Å
28E93.3Very high95.9Very high66 Ų6654.5 Ų54.531%0.30827%0.273SS..SBendtrans-7569.9-179-165.9-169.4121.500112W31 R67 A68 F69E28-W31 HydrophobicContact CB-CZ2 4.33Å; E28-W31 VanDerWaalsContact O-CE2 3.23Å; E28-W31 WeakPolarHBondContact O-CZ2 2.89Å; E28-W31 PolarHBondContact O-NE1 3.24Å; E28-R67 HydrophobicContact CG-CB 4.04Å; E28-R67 WeakPolarHBondContact OE1-CD 3.42Å; E28-R67 IonicContact OE1-NE 3.86Å; E28-R67 IonicContact OE1-NH1 3.09Å; E28-R67 WeakPolarHBondContact OE2-CD 3.21Å; E28-R67 IonicContact OE2-CZ 2.91Å; E28-R67 IonicContact OE2-NH1 3.99Å; E28-R67 PolarHBondContact OE2-NH1 2.76Å; E28-R67 VanDerWaalsContact OE2-NH1 3.09Å; E28-A68 CarbonylContact C-O 3.53Å; E28-F69 HydrophobicContact CB-CD1 4.24Å; E28-F69 HydrophobicContact CB-CE1 3.95Å; E28-F69 HydrophobicContact CG-CE1 4.1Å; E28-F69 HydrophobicContact CG-CZ 4.25Å
29G92.9Very high96.2Very high6 Ų655.7 Ų55.76%0.06227%0.272CS..SBendtrans119.8-171.5177.600000112.2E27 A68 V70E27-G29 PolarHBondContact O-N 3.36Å; G29-A68 PolarHBondContact N-O 3.34Å; G29-V70 WeakPolarHBondContact O-CB 3.47Å; G29-V70 WeakPolarHBondContact O-CG2 3.39Å
30N95.3Very high96.3Very high22 Ų2257.9 Ų57.912%0.11829%0.287CS..SBendtrans-10969.4-178.7-174.850.1000110C34 I35 K72 Y112 V114 L119N30-C34 WeakPolarHBondContact OD1-CB 3.28Å; N30-I35 WeakPolarHBondContact O-CG2 3.27Å; N30-I35 WeakPolarHBondContact OD1-CG2 3.27Å; N30-K72 WeakPolarHBondContact OD1-CE 3.47Å; N30-K72 PolarHBondContact OD1-NZ 3.19Å; N30-Y112 PolarHBondContact ND2-O 2.82Å; N30-Y112 PolarHBondContact OD1-O 2.89Å; N30-V114 HydrophobicContact CB-CG2 4.35Å; N30-L119 HydrophobicContact CB-CD1 3.21Å; N30-L119 HydrophobicContact CB-CG 4.42Å
31W93.9Very high96.3Very high105 Ų10555.8 Ų55.840%0.39828%0.278SS..  trans-143.5178.8-179.750.4-102.1000110.1E28 D33 C34E28-W31 HydrophobicContact CB-CZ2 4.33Å; E28-W31 VanDerWaalsContact O-CE2 3.23Å; E28-W31 WeakPolarHBondContact O-CZ2 2.89Å; E28-W31 PolarHBondContact O-NE1 3.24Å; W31-D33 PolarHBondContact O-N 3.11Å; W31-D33 VanDerWaalsContact O-N 3.15Å; W31-C34 PolarHBondContact O-N 3.16Å; W31-C34 VanDerWaalsContact O-N 3.13Å
32N93.8Very high96.2Very high80 Ų8061.7 Ų61.743%0.42831%0.305SS..THydrogen-bonded Turntrans41.7-116.9-172.6-61.6-10.3000111.5C34 I35 R36N32-C34 PolarHBondContact O-N 3.36Å; N32-I35 CarbonylContact O-C 3.56Å; N32-I35 VanDerWaalsContact O-CG1 3.32Å; N32-I35 WeakPolarHBondContact O-CG1 3.46Å; N32-I35 PolarHBondContact O-N 3.46Å; N32-R36 VanDerWaalsContact O-CB 3.27Å; N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 VanDerWaalsContact O-CG 3.27Å; N32-R36 WeakPolarHBondContact O-CG 3.38Å; N32-R36 PolarHBondContact O-N 3.35Å
33D93.3Very high95.8Very high79 Ų7966.5 Ų66.542%0.42234%0.34SS..Hα-helixtrans-57.7-38.6-171.8-64.85.3000111.6C24 W31 I35 R36 T37C24-D33 HydrophobicContact CB-CB 4.29Å; W31-D33 PolarHBondContact O-N 3.11Å; W31-D33 VanDerWaalsContact O-N 3.15Å; D33-I35 PolarHBondContact O-N 3.08Å; D33-R36 PolarHBondContact O-N 3.05Å; D33-R36 VanDerWaalsContact O-N 3.15Å; D33-T37 WeakPolarHBondContact CA-OG1 3.43Å; D33-T37 WeakPolarHBondContact O-CB 3.42Å; D33-T37 PolarHBondContact O-N 3.49Å
34C96.4Very high95.6Very high0 Ų071.7 Ų71.70%037%0.367CS..Hα-helixtrans-62.3-15179.1-67.60000115.1C24 E27 N30 W31 N32 K72C24-C34 HydrophobicContact CB-CB 3.88Å; C24-C34 WeakPolarHBondContact CB-SG 3.46Å; C24-C34 WeakPolarHBondContact SG-CA 3.38Å; C24-C34 WeakPolarHBondContact SG-CB 3.29Å; C24-C34 CovalentContact SG-SG 2.04Å; C24-C34 PolarHBondContact SG-SG 2.96Å; E27-C34 VanDerWaalsContact CB-SG 3.58Å; N30-C34 WeakPolarHBondContact OD1-CB 3.28Å; W31-C34 PolarHBondContact O-N 3.16Å; W31-C34 VanDerWaalsContact O-N 3.13Å; N32-C34 PolarHBondContact O-N 3.36Å; C34-K72 HydrophobicContact CB-CD 4.45Å; C34-K72 PolarHBondContact O-NZ 3.03Å
35I96.4Very high95.6Very high43 Ų4373.8 Ų73.822%0.22138%0.376CS..Hα-helixtrans-127.13.317865169.9000113Y22 N30 N32 D33 Y112Y22-I35 VanDerWaalsContact CE1-C 3.44Å; Y22-I35 VanDerWaalsContact CE1-O 3.26Å; Y22-I35 WeakPolarHBondContact CE1-O 3.3Å; N30-I35 WeakPolarHBondContact O-CG2 3.27Å; N30-I35 WeakPolarHBondContact OD1-CG2 3.27Å; N32-I35 CarbonylContact O-C 3.56Å; N32-I35 VanDerWaalsContact O-CG1 3.32Å; N32-I35 WeakPolarHBondContact O-CG1 3.46Å; N32-I35 PolarHBondContact O-N 3.46Å; D33-I35 PolarHBondContact O-N 3.08Å; I35-Y112 HydrophobicContact CB-CD2 4.32Å; I35-Y112 HydrophobicContact CB-CE2 3.8Å; I35-Y112 HydrophobicContact CG2-CD2 4.43Å; I35-Y112 HydrophobicContact CG2-CE2 4.14Å
36R96.9Very high95.5Very high189 Ų18972.3 Ų72.371%0.71336%0.364SS*.Hα-helixtrans-124.5-37.1-176.6-68.5179.2-177.1-124.61.1112.6N32 D33N32-R36 VanDerWaalsContact O-CB 3.27Å; N32-R36 WeakPolarHBondContact O-CB 3.32Å; N32-R36 VanDerWaalsContact O-CG 3.27Å; N32-R36 WeakPolarHBondContact O-CG 3.38Å; N32-R36 PolarHBondContact O-N 3.35Å; D33-R36 PolarHBondContact O-N 3.05Å; D33-R36 VanDerWaalsContact O-N 3.15Å
37T98Very high95.6Very high51 Ų5169.4 Ų69.431%0.31335%0.348SS..  trans-87.6116.1-175.5-50.90000108.9Y22 I23 D33Y22-T37 CarbonylContact C-O 3.59Å; Y22-T37 VanDerWaalsContact CA-O 3.31Å; Y22-T37 WeakPolarHBondContact CA-O 3.31Å; I23-T37 HydrophobicContact CD1-CG2 3.77Å; I23-T37 HydrophobicContact CG1-CG2 3.48Å; I23-T37 VanDerWaalsContact CG1-CG2 3.48Å; I23-T37 PolarHBondContact N-O 3.08Å; D33-T37 WeakPolarHBondContact CA-OG1 3.43Å; D33-T37 WeakPolarHBondContact O-CB 3.42Å; D33-T37 PolarHBondContact O-N 3.49Å
38I98Very high95.7Very high59 Ų5966.7 Ų66.730%0.30334%0.336SS..EExtended strand (participates in β ladder)trans-111.6139.6-180-62.5166000107.8E20 C21 Y22E20-I38 HydrophobicContact CB-CG2 3.93Å; E20-I38 HydrophobicContact CG-CG2 4.42Å; C21-I38 WeakPolarHBondContact O-CA 3.46Å; Y22-I38 HydrophobicContact CD1-CG1 3.77Å; Y22-I38 HydrophobicContact CE1-CD1 3.93Å; Y22-I38 HydrophobicContact CE1-CG1 3.57Å
39Q97.1Very high96Very high87 Ų8764.7 Ų64.741%0.40733%0.326SS..EExtended strand (participates in β ladder)trans-126.6134.8172.7-175177.61500109.3C21 I23C21-Q39 PolarHBondContact N-O 3.16Å; C21-Q39 PolarHBondContact O-N 3.37Å; I23-Q39 HydrophobicContact CD1-CB 4.07Å; I23-Q39 HydrophobicContact CG1-CB 4.21Å; I23-Q39 HydrophobicContact CG2-CB 3.51Å
40T97.4Very high96.2Very high70 Ų7064.6 Ų64.643%0.42932%0.324SS..EExtended strand (participates in β ladder)trans-71.8123.7165.3-51.20000109.4S18S18-T40 WeakPolarHBondContact OG-CG2 3.5Å
41C97.3Very high96.3Very high7 Ų765 Ų655%0.04733%0.326CS..PPolyproline II helixtrans-72.7153.3-177.6-58.80000112.1L19 C21 Q45 C74L19-C41 HydrophobicContact CB-CB 4.21Å; L19-C41 VanDerWaalsContact O-CB 3.24Å; L19-C41 WeakPolarHBondContact O-CB 3.42Å; L19-C41 PolarHBondContact O-N 3Å; L19-C41 PolarHBondContact O-SG 3.37Å; C21-C41 PolarHBondContact SG-SG 3.09Å; C41-Q45 HydrophobicContact CB-CB 3.83Å; C41-C74 WeakPolarHBondContact CA-SG 3.26Å; C41-C74 HydrophobicContact CB-CB 3.6Å; C41-C74 WeakPolarHBondContact CB-SG 3.49Å; C41-C74 WeakPolarHBondContact SG-CB 3.08Å; C41-C74 CovalentContact SG-SG 2.04Å; C41-C74 PolarHBondContact SG-SG 2.98Å
42E95.9Very high96.4Very high123 Ų12360.1 Ų60.158%0.57531%0.308SS*.PPolyproline II helixtrans-63.6155.3174-65.3-63.6161.800111.1L44 Q45E42-L44 PolarHBondContact O-N 3.19Å; E42-Q45 HydrophobicContact CB-CG 4.09Å; E42-Q45 WeakPolarHBondContact O-CB 2.99Å; E42-Q45 PolarHBondContact O-N 2.69Å
43P91.4Very high96.5Very high127 Ų12759.2 Ų59.283%0.82530%0.301SS*.THydrogen-bonded Turntrans-55.2-22.8-175-2935.6000116.2
44L93.6Very high96.5Very high152 Ų15257.5 Ų57.580%0.79629%0.289SS*.THydrogen-bonded Turntrans-97-5.4178.8-61.8178.3000113.6E42 T76E42-L44 PolarHBondContact O-N 3.19Å; L44-T76 WeakPolarHBondContact O-CG2 3.24Å
45Q97.1Very high96.4Very high55 Ų5560 Ų6026%0.25730%0.299SS..  trans-94.3105.9179.8-70177.5-34.700109.6C41 E42 C74 T75C41-Q45 HydrophobicContact CB-CB 3.83Å; E42-Q45 HydrophobicContact CB-CG 4.09Å; E42-Q45 WeakPolarHBondContact O-CB 2.99Å; E42-Q45 PolarHBondContact O-N 2.69Å; Q45-C74 HydrophobicContact CB-CB 4.14Å; Q45-C74 HydrophobicContact CG-CB 4.38Å; Q45-C74 PolarHBondContact NE2-O 2.91Å; Q45-T75 CarbonylContact C-O 3.57Å; Q45-T75 VanDerWaalsContact CA-O 3.27Å; Q45-T75 WeakPolarHBondContact CA-O 3.49Å; Q45-T75 WeakPolarHBondContact CB-O 3.07Å
46D96.4Very high96.3Very high80 Ų8060.3 Ų60.343%0.42830%0.302SS..  trans-106.66.9-173.566.7-9000113.2L19 T75 T76 T77 N106L19-D46 VanDerWaalsContact CD2-C 3.4Å; D46-T75 PolarHBondContact N-O 2.02Å; D46-T75 VanDerWaalsContact N-O 3.16Å; D46-T76 VanDerWaalsContact OD1-CA 3.25Å; D46-T76 WeakPolarHBondContact OD1-CA 3.15Å; D46-T77 PolarHBondContact OD1-N 2.99Å; D46-T77 PolarHBondContact OD1-OG1 3.15Å; D46-T77 VanDerWaalsContact OD1-OG1 3.06Å; D46-T77 PolarHBondContact OD2-OG1 2.67Å; D46-N106 PolarHBondContact O-ND2 2.87Å
47T97.8Very high96Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-141.8133.2-172.1-580000112.1L19 T75 T77 C80 C104 N106L19-T47 VanDerWaalsContact CD2-N 3.35Å; T47-T75 HydrophobicContact CG2-CG2 4.22Å; T47-T75 PolarHBondContact N-O 2.02Å; T47-T75 PolarHBondContact O-N 3.06Å; T47-T75 VanDerWaalsContact O-O 3.12Å; T47-T77 WeakPolarHBondContact OG1-CA 3.34Å; T47-T77 PolarHBondContact OG1-N 3.38Å; T47-T77 PolarHBondContact OG1-OG1 2.89Å; T47-C80 HydrophobicContact CG2-CB 3.87Å; T47-C104 HydrophobicContact CG2-CB 3.95Å; T47-N106 PolarHBondContact OG1-ND2 3.44Å
48C98.2Very high95.5Very high0 Ų054.2 Ų54.20%029%0.289CS..EExtended strand (participates in β ladder)trans-84.7131.7162.1-53.80000110.1C21 C105 C110 N111C21-C48 HydrophobicContact CB-CB 3.81Å; C21-C48 WeakPolarHBondContact CB-SG 3.35Å; C21-C48 WeakPolarHBondContact SG-CA 3.44Å; C21-C48 WeakPolarHBondContact SG-CB 3.37Å; C21-C48 CovalentContact SG-SG 2.02Å; C21-C48 PolarHBondContact SG-SG 3.3Å; C48-C105 PolarHBondContact N-O 3.1Å; C48-C105 PolarHBondContact O-N 3.33Å; C48-C110 VanDerWaalsContact SG-SG 3.66Å; C48-N111 HydrophobicContact CB-CB 3.78Å
49Q97.9Very high95Very high24 Ų2456.4 Ų56.411%0.11230%0.296CS..EExtended strand (participates in β ladder)trans-110144.5175.1-174.4172.430.400111.2I51 K72 G73 T75 S102 Y103Q49-I51 HydrophobicContact CG-CG1 4.09Å; Q49-K72 VanDerWaalsContact O-CA 3.29Å; Q49-K72 WeakPolarHBondContact O-CA 3.45Å; Q49-G73 PolarHBondContact N-O 3.15Å; Q49-G73 PolarHBondContact O-N 3.42Å; Q49-G73 VanDerWaalsContact O-N 3.16Å; Q49-T75 HydrophobicContact CB-CG2 3.69Å; Q49-S102 PolarHBondContact NE2-OG 3.01Å; Q49-Y103 CarbonylContact C-O 3.59Å; Q49-Y103 WeakPolarHBondContact CA-O 3.43Å
50S97.9Very high94.5Very high3 Ų362.7 Ų62.72%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-129.5121.1166.3-67.60000110.2T71 S102 Y103 N111S50-T71 CarbonylContact C-O 3.4Å; S50-T71 WeakPolarHBondContact CA-O 3.25Å; S50-S102 CarbonylContact O-C 3.56Å; S50-S102 WeakPolarHBondContact O-CA 3.22Å; S50-Y103 PolarHBondContact N-O 3.21Å; S50-Y103 PolarHBondContact O-N 2.76Å; S50-N111 WeakPolarHBondContact OG-CB 3.47Å
51I97.1Very high93.9Very high30 Ų3060.4 Ų60.415%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-107.5132.2174.1-59.8174.3000108.3Q49 Q53 V70 T71 T83 I100 C101Q49-I51 HydrophobicContact CG-CG1 4.09Å; I51-Q53 HydrophobicContact CG2-CG 4.3Å; I51-V70 WeakPolarHBondContact O-CA 3.5Å; I51-T71 PolarHBondContact N-O 3.2Å; I51-T71 PolarHBondContact O-N 3.19Å; I51-T83 HydrophobicContact CD1-CG2 4.35Å; I51-I100 HydrophobicContact CG2-CD1 3.83Å; I51-I100 HydrophobicContact CG2-CG1 3.91Å; I51-C101 CarbonylContact C-O 3.59Å; I51-C101 WeakPolarHBondContact CA-O 3.28Å
52V96.2Very high93.2Very high3 Ų365.7 Ų65.72%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-122.3122.9179.1-1670000108.5A68 F69 W99 I100 C101 Y103 V114V52-A68 HydrophobicContact CG1-CB 4.22Å; V52-F69 CarbonylContact C-O 3.43Å; V52-F69 WeakPolarHBondContact CA-O 3.14Å; V52-W99 HydrophobicContact CB-CH2 4.5Å; V52-W99 HydrophobicContact CB-CZ3 3.94Å; V52-W99 HydrophobicContact CG1-CH2 3.77Å; V52-W99 HydrophobicContact CG1-CZ3 3.67Å; V52-I100 CarbonylContact O-C 3.55Å; V52-I100 VanDerWaalsContact O-CA 3.22Å; V52-I100 WeakPolarHBondContact O-CA 2.97Å; V52-C101 PolarHBondContact N-O 2.95Å; V52-C101 PolarHBondContact O-N 2.98Å; V52-Y103 HydrophobicContact CG2-CD2 4.17Å; V52-Y103 HydrophobicContact CG2-CE2 3.81Å; V52-V114 HydrophobicContact CB-CG1 4.32Å; V52-V114 HydrophobicContact CG1-CG1 4.39Å; V52-V114 HydrophobicContact CG2-CB 4.35Å; V52-V114 HydrophobicContact CG2-CG1 3.07Å; V52-V114 HydrophobicContact CG2-CG2 4.41Å
53Q95.4Very high92.8Very high61 Ų6165.7 Ų65.729%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-115.2112.7176.9-66.8-179.332.700109.1I51 A68 F69 I100I51-Q53 HydrophobicContact CG2-CG 4.3Å; Q53-A68 CarbonylContact O-C 3.41Å; Q53-A68 WeakPolarHBondContact O-CA 3.48Å; Q53-F69 HydrophobicContact CB-CB 4.47Å; Q53-F69 PolarHBondContact N-O 3.38Å; Q53-F69 PolarHBondContact O-N 3.22Å; Q53-I100 HydrophobicContact CG-CB 4.24Å; Q53-I100 HydrophobicContact CG-CD1 3.6Å; Q53-I100 HydrophobicContact CG-CG1 3.65Å
54Y95Very high92.5Very high43 Ų4362.1 Ų62.117%0.16932%0.319CS..EExtended strand (participates in β ladder)trans-96112171.6-170-108.3000109.1R66 R67 A68 D98 W99Y54-R66 HydrophobicContact CD1-CB 3.85Å; Y54-R66 HydrophobicContact CD1-CG 4.47Å; Y54-R66 HydrophobicContact CD2-CB 4.41Å; Y54-R66 HydrophobicContact CE1-CB 3.34Å; Y54-R66 HydrophobicContact CE1-CG 4.1Å; Y54-R66 HydrophobicContact CE2-CB 3.95Å; Y54-R66 WeakPolarHBondContact CE2-O 3.09Å; Y54-R66 HydrophobicContact CG-CB 4.37Å; Y54-R67 WeakPolarHBondContact CA-O 3.49Å; Y54-A68 HydrophobicContact CD2-CB 4.17Å; Y54-D98 WeakPolarHBondContact O-CA 3.38Å; Y54-W99 VanDerWaalsContact CB-CD2 3.47Å; Y54-W99 VanDerWaalsContact CB-NE1 3.33Å; Y54-W99 AromaticContact CD1-CD1 3.71Å; Y54-W99 AromaticContact CD1-CE2 3.87Å; Y54-W99 HydrophobicContact CD1-CZ2 4.38Å; Y54-W99 AromaticContact CD1-NE1 3.18Å; Y54-W99 HydrophobicContact CD2-CZ2 4.1Å; Y54-W99 HydrophobicContact CG-CD2 4.36Å; Y54-W99 AromaticContact CG-CE2 3.56Å; Y54-W99 AromaticContact CG-CZ2 3.74Å; Y54-W99 HydrophobicContact CG-CZ2 3.74Å; Y54-W99 AromaticContact CG-NE1 3.4Å; Y54-W99 PolarHBondContact N-O 3.15Å; Y54-W99 PolarHBondContact O-N 3.21Å
55R94.1Very high92.3Very high53 Ų5360.1 Ų60.120%0.231%0.305CS..EExtended strand (participates in β ladder)trans-155.7162-171.959.9-175.5-17990.4-2.5110.4N26 R66 R67 F69N26-R55 PolarHBondContact ND2-NH2 3.25Å; N26-R55 PolarHBondContact OD1-NH2 3.39Å; R55-R66 WeakPolarHBondContact O-CA 2.99Å; R55-R67 PolarHBondContact N-O 2.91Å; R55-R67 PolarHBondContact O-N 2.84Å; R55-F69 HydrophobicContact CG-CD2 3.86Å; R55-F69 HydrophobicContact CG-CE2 4.12Å
56T92.7Very high92.1Very high49 Ų4961.8 Ų61.830%0.30131%0.309SS..  trans-66.6133167.6-62.90000108.8A64T56-A64 HydrophobicContact CG2-CB 4.13Å; T56-A64 WeakPolarHBondContact CG2-O 2.97Å; T56-A64 PolarHBondContact OG1-O 2.95Å; T56-A64 VanDerWaalsContact OG1-O 3.11Å
57P91.7Very high91.9Very high8 Ų861 Ų615%0.05230%0.3CS..  trans-55.5147.7175.9-24.732.4000111.8F59 T61 E65 R67 F69P57-F59 HydrophobicContact CB-CD1 4.04Å; P57-F59 HydrophobicContact CB-CD2 3.96Å; P57-F59 HydrophobicContact CB-CE1 3.69Å; P57-F59 HydrophobicContact CB-CE2 3.61Å; P57-F59 HydrophobicContact CB-CG 4.17Å; P57-F59 HydrophobicContact CB-CZ 3.47Å; P57-F59 VanDerWaalsContact CB-CZ 3.47Å; P57-F59 HydrophobicContact CG-CE2 4.21Å; P57-F59 HydrophobicContact CG-CZ 4.12Å; P57-F59 PolarHBondContact O-N 3Å; P57-T61 HydrophobicContact CB-CG2 4.45Å; P57-T61 HydrophobicContact CG-CG2 4.36Å; P57-E65 WeakPolarHBondContact CD-O 3.02Å; P57-R67 HydrophobicContact CG-CB 4.45Å; P57-R67 HydrophobicContact CG-CG 4.09Å; P57-F69 HydrophobicContact CB-CE2 4.47Å; P57-F69 HydrophobicContact CB-CZ 3.98Å; P57-F69 HydrophobicContact CG-CE2 4.24Å; P57-F69 HydrophobicContact CG-CZ 3.99Å
58P86.5Confident91.6Very high105 Ų10561.5 Ų61.568%0.68230%0.304SS*.SBendtrans-74.3-12.4-178.632.4-33.1000112.7
59F87.9Confident91.5Very high105 Ų10561.9 Ų61.946%0.46131%0.306SS..SBendtrans-96.5155.1176.350.1-98.2000110.9P57 T61P57-F59 HydrophobicContact CB-CD1 4.04Å; P57-F59 HydrophobicContact CB-CD2 3.96Å; P57-F59 HydrophobicContact CB-CE1 3.69Å; P57-F59 HydrophobicContact CB-CE2 3.61Å; P57-F59 HydrophobicContact CB-CG 4.17Å; P57-F59 HydrophobicContact CB-CZ 3.47Å; P57-F59 VanDerWaalsContact CB-CZ 3.47Å; P57-F59 HydrophobicContact CG-CE2 4.21Å; P57-F59 HydrophobicContact CG-CZ 4.12Å; P57-F59 PolarHBondContact O-N 3Å; F59-T61 HydrophobicContact CD2-CG2 3.65Å; F59-T61 HydrophobicContact CE2-CG2 3.57Å; F59-T61 PolarHBondContact O-N 2.91Å
60W87Confident91.5Very high218 Ų21860.8 Ų60.883%0.82630%0.3SS*.  trans-62.1133.4179.1-173.590.7000111V62W60-V62 HydrophobicContact CH2-CB 4.35Å; W60-V62 HydrophobicContact CH2-CG2 3.78Å; W60-V62 HydrophobicContact CZ3-CG2 3.82Å
61T84.4Confident91.4Very high23 Ų2362.4 Ų62.414%0.14131%0.311CS..  trans-137147.3172.561.90000108.6P57 F59 L63 A64P57-T61 HydrophobicContact CB-CG2 4.45Å; P57-T61 HydrophobicContact CG-CG2 4.36Å; F59-T61 HydrophobicContact CD2-CG2 3.65Å; F59-T61 HydrophobicContact CE2-CG2 3.57Å; F59-T61 PolarHBondContact O-N 2.91Å; T61-L63 PolarHBondContact O-N 2.88Å; T61-L63 VanDerWaalsContact O-N 3.09Å; T61-A64 PolarHBondContact O-N 2.89Å; T61-A64 WeakPolarHBondContact OG1-CA 3.35Å; T61-A64 PolarHBondContact OG1-N 2.94Å
62V84Confident91.5Very high118 Ų11861.4 Ų61.472%0.71531%0.305SS*.THydrogen-bonded Turntrans-53.5-36.2-174.9-178.80000112.6W60W60-V62 HydrophobicContact CH2-CB 4.35Å; W60-V62 HydrophobicContact CH2-CG2 3.78Å; W60-V62 HydrophobicContact CZ3-CG2 3.82Å
63L86.2Confident91.6Very high122 Ų12262.2 Ų62.264%0.63931%0.314SS*.THydrogen-bonded Turntrans-112.4-2.7-172-59.8177.2000114.1T61 E65T61-L63 PolarHBondContact O-N 2.88Å; T61-L63 VanDerWaalsContact O-N 3.09Å; L63-E65 HydrophobicContact CB-CG 3.7Å; L63-E65 HydrophobicContact CD1-CG 4.44Å; L63-E65 VanDerWaalsContact CD1-OE1 3.31Å; L63-E65 WeakPolarHBondContact CD1-OE1 3.04Å; L63-E65 PolarHBondContact O-N 2.72Å
64A84.5Confident91.7Very high53 Ų5360.2 Ų60.244%0.43831%0.307SS..  trans49.426.8-172.300000114T56 T61 R66T56-A64 HydrophobicContact CG2-CB 4.13Å; T56-A64 WeakPolarHBondContact CG2-O 2.97Å; T56-A64 PolarHBondContact OG1-O 2.95Å; T56-A64 VanDerWaalsContact OG1-O 3.11Å; T61-A64 PolarHBondContact O-N 2.89Å; T61-A64 WeakPolarHBondContact OG1-CA 3.35Å; T61-A64 PolarHBondContact OG1-N 2.94Å; A64-R66 PolarHBondContact O-N 3.25Å
65E90.3Very high91.9Very high110 Ų11059.3 Ų59.351%0.51431%0.305SS..  trans-63136.8-176.6-79.1177.9174.500110.7P57 L63P57-E65 WeakPolarHBondContact CD-O 3.02Å; L63-E65 HydrophobicContact CB-CG 3.7Å; L63-E65 HydrophobicContact CD1-CG 4.44Å; L63-E65 VanDerWaalsContact CD1-OE1 3.31Å; L63-E65 WeakPolarHBondContact CD1-OE1 3.04Å; L63-E65 PolarHBondContact O-N 2.72Å
66R92.3Very high92.1Very high90 Ų9058.8 Ų58.834%0.3431%0.308SS..  trans-69138.7174.2-68.3174.1171.374.410.2109.9Y54 R55 A64 T96 D98Y54-R66 HydrophobicContact CD1-CB 3.85Å; Y54-R66 HydrophobicContact CD1-CG 4.47Å; Y54-R66 HydrophobicContact CD2-CB 4.41Å; Y54-R66 HydrophobicContact CE1-CB 3.34Å; Y54-R66 HydrophobicContact CE1-CG 4.1Å; Y54-R66 HydrophobicContact CE2-CB 3.95Å; Y54-R66 WeakPolarHBondContact CE2-O 3.09Å; Y54-R66 HydrophobicContact CG-CB 4.37Å; R55-R66 WeakPolarHBondContact O-CA 2.99Å; A64-R66 PolarHBondContact O-N 3.25Å; R66-T96 VanDerWaalsContact CZ-O 3.28Å; R66-T96 PolarHBondContact NH1-O 3.3Å; R66-D98 IonicContact CZ-OD1 2.72Å; R66-D98 IonicContact NE-OD1 3.77Å; R66-D98 PolarHBondContact NE-OD1 2.04Å; R66-D98 IonicContact NH2-OD1 3.44Å; R66-D98 PolarHBondContact NH2-OD1 2.79Å
67R92.2Very high92.3Very high64 Ų6458.9 Ų58.924%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-132.3154.7178.3-52.5-166.6-169.6132.31.2109.4E28 Y54 R55 P57 F69E28-R67 HydrophobicContact CG-CB 4.04Å; E28-R67 WeakPolarHBondContact OE1-CD 3.42Å; E28-R67 IonicContact OE1-NE 3.86Å; E28-R67 IonicContact OE1-NH1 3.09Å; E28-R67 WeakPolarHBondContact OE2-CD 3.21Å; E28-R67 IonicContact OE2-CZ 2.91Å; E28-R67 IonicContact OE2-NH1 3.99Å; E28-R67 PolarHBondContact OE2-NH1 2.76Å; E28-R67 VanDerWaalsContact OE2-NH1 3.09Å; Y54-R67 WeakPolarHBondContact CA-O 3.49Å; R55-R67 PolarHBondContact N-O 2.91Å; R55-R67 PolarHBondContact O-N 2.84Å; P57-R67 HydrophobicContact CG-CB 4.45Å; P57-R67 HydrophobicContact CG-CG 4.09Å; R67-F69 HydrophobicContact CB-CE2 4.11Å; R67-F69 WeakPolarHBondContact O-CD2 3.15Å
68A93.2Very high92.6Very high9 Ų962.6 Ų62.67%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-89.6123.7178.300000109.2E28 G29 V52 Q53 Y54 L119E28-A68 CarbonylContact C-O 3.53Å; G29-A68 PolarHBondContact N-O 3.34Å; V52-A68 HydrophobicContact CG1-CB 4.22Å; Q53-A68 CarbonylContact O-C 3.41Å; Q53-A68 WeakPolarHBondContact O-CA 3.48Å; Y54-A68 HydrophobicContact CD2-CB 4.17Å; A68-L119 HydrophobicContact CB-CD2 3.29Å
69F95.5Very high93.1Very high9 Ų959.2 Ų59.24%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-105.6132.4172.6-65.2-91.5000109.1N26 E27 E28 V52 Q53 R55 P57 R67N26-F69 WeakPolarHBondContact OD1-CB 3.47Å; E27-F69 CarbonylContact O-C 3.43Å; E27-F69 WeakPolarHBondContact O-CA 3.48Å; E28-F69 HydrophobicContact CB-CD1 4.24Å; E28-F69 HydrophobicContact CB-CE1 3.95Å; E28-F69 HydrophobicContact CG-CE1 4.1Å; E28-F69 HydrophobicContact CG-CZ 4.25Å; V52-F69 CarbonylContact C-O 3.43Å; V52-F69 WeakPolarHBondContact CA-O 3.14Å; Q53-F69 HydrophobicContact CB-CB 4.47Å; Q53-F69 PolarHBondContact N-O 3.38Å; Q53-F69 PolarHBondContact O-N 3.22Å; R55-F69 HydrophobicContact CG-CD2 3.86Å; R55-F69 HydrophobicContact CG-CE2 4.12Å; P57-F69 HydrophobicContact CB-CE2 4.47Å; P57-F69 HydrophobicContact CB-CZ 3.98Å; P57-F69 HydrophobicContact CG-CE2 4.24Å; P57-F69 HydrophobicContact CG-CZ 3.99Å; R67-F69 HydrophobicContact CB-CE2 4.11Å; R67-F69 WeakPolarHBondContact O-CD2 3.15Å
70V96.7Very high93.6Very high0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-116131.3-172.7-177.70000109.5N26 E27 G29 I51 K72 V114 L119N26-V70 WeakPolarHBondContact CA-O 3.37Å; N26-V70 PolarHBondContact N-O 3.5Å; E27-V70 PolarHBondContact N-O 2.83Å; E27-V70 PolarHBondContact O-N 2.97Å; G29-V70 WeakPolarHBondContact O-CB 3.47Å; G29-V70 WeakPolarHBondContact O-CG2 3.39Å; I51-V70 WeakPolarHBondContact O-CA 3.5Å; V70-K72 HydrophobicContact CG1-CD 4.41Å; V70-K72 HydrophobicContact CG1-CG 3.88Å; V70-V114 HydrophobicContact CG1-CG2 3.85Å; V70-V114 HydrophobicContact CG2-CG2 4.36Å; V70-L119 HydrophobicContact CG2-CD1 3.89Å
71T97.6Very high94.1Very high38 Ų3848.1 Ų48.123%0.23327%0.274CS..EExtended strand (participates in β ladder)trans-122.9133.3169-62.90000108.1C24 N26 S50 I51C24-T71 CarbonylContact O-C 3.58Å; C24-T71 WeakPolarHBondContact O-CA 3.27Å; N26-T71 PolarHBondContact N-OG1 2.94Å; S50-T71 CarbonylContact C-O 3.4Å; S50-T71 WeakPolarHBondContact CA-O 3.25Å; I51-T71 PolarHBondContact N-O 3.2Å; I51-T71 PolarHBondContact O-N 3.19Å
72K98.1Very high94.8Very high9 Ų953 Ų534%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-133.8149.3178.6-59.8-174.2-176.6-179.60110.7Y22 I23 C24 N30 C34 Q49 V70 N111 Y112Y22-K72 WeakPolarHBondContact O-CB 2.98Å; I23-K72 WeakPolarHBondContact CA-O 3.31Å; C24-K72 PolarHBondContact N-O 3.43Å; C24-K72 PolarHBondContact O-N 2.7Å; N30-K72 WeakPolarHBondContact OD1-CE 3.47Å; N30-K72 PolarHBondContact OD1-NZ 3.19Å; C34-K72 HydrophobicContact CB-CD 4.45Å; C34-K72 PolarHBondContact O-NZ 3.03Å; Q49-K72 VanDerWaalsContact O-CA 3.29Å; Q49-K72 WeakPolarHBondContact O-CA 3.45Å; V70-K72 HydrophobicContact CG1-CD 4.41Å; V70-K72 HydrophobicContact CG1-CG 3.88Å; K72-N111 VanDerWaalsContact CE-O 3.28Å; K72-N111 WeakPolarHBondContact CE-O 3.45Å; K72-N111 PolarHBondContact NZ-O 2.88Å; K72-Y112 PolarHBondContact NZ-O 2.83Å
73G98Very high95.5Very high20 Ų2049.6 Ų49.621%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-174.7171179.900000113.8Q49Q49-G73 PolarHBondContact N-O 3.15Å; Q49-G73 PolarHBondContact O-N 3.42Å; Q49-G73 VanDerWaalsContact O-N 3.16Å
74C98.4Very high95.9Very high19 Ų1945.4 Ų45.413%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-77.7141.7167.5-62.60000110.8C41 Q45C41-C74 WeakPolarHBondContact CA-SG 3.26Å; C41-C74 HydrophobicContact CB-CB 3.6Å; C41-C74 WeakPolarHBondContact CB-SG 3.49Å; C41-C74 WeakPolarHBondContact SG-CB 3.08Å; C41-C74 CovalentContact SG-SG 2.04Å; C41-C74 PolarHBondContact SG-SG 2.98Å; Q45-C74 HydrophobicContact CB-CB 4.14Å; Q45-C74 HydrophobicContact CG-CB 4.38Å; Q45-C74 PolarHBondContact NE2-O 2.91Å
75T98Very high96.5Very high23 Ų2347.9 Ų47.914%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-157.4-174.7176.6-166.60000110.4Q45 D46 T47 Q49 A79 C80Q45-T75 CarbonylContact C-O 3.57Å; Q45-T75 VanDerWaalsContact CA-O 3.27Å; Q45-T75 WeakPolarHBondContact CA-O 3.49Å; Q45-T75 WeakPolarHBondContact CB-O 3.07Å; D46-T75 PolarHBondContact N-O 2.02Å; D46-T75 VanDerWaalsContact N-O 3.16Å; T47-T75 HydrophobicContact CG2-CG2 4.22Å; T47-T75 PolarHBondContact N-O 2.02Å; T47-T75 PolarHBondContact O-N 3.06Å; T47-T75 VanDerWaalsContact O-O 3.12Å; Q49-T75 HydrophobicContact CB-CG2 3.69Å; T75-A79 WeakPolarHBondContact OG1-CB 3.4Å; T75-C80 HydrophobicContact CG2-CB 3.73Å
76T98Very high96.8Very high42 Ų4248 Ų4826%0.25827%0.272SS..  trans-95.6155.1171.272.80000111.4L44 D46 S78 A79 C80L44-T76 WeakPolarHBondContact O-CG2 3.24Å; D46-T76 VanDerWaalsContact OD1-CA 3.25Å; D46-T76 WeakPolarHBondContact OD1-CA 3.15Å; T76-S78 PolarHBondContact O-N 3.46Å; T76-S78 PolarHBondContact OG1-OG 2.9Å; T76-A79 PolarHBondContact O-N 2.82Å; T76-A79 VanDerWaalsContact OG1-CB 3.25Å; T76-A79 WeakPolarHBondContact OG1-CB 3.18Å; T76-A79 PolarHBondContact OG1-N 3.35Å; T76-C80 WeakPolarHBondContact O-CB 3.29Å; T76-C80 PolarHBondContact O-N 2.81Å
77T97.7Very high97Very high51 Ų5144.9 Ų44.931%0.31326%0.262SS..Hα-helixtrans-55.1-44.3176-62.20000110.1D46 T47 C80 Q81 N106D46-T77 PolarHBondContact OD1-N 2.99Å; D46-T77 PolarHBondContact OD1-OG1 3.15Å; D46-T77 VanDerWaalsContact OD1-OG1 3.06Å; D46-T77 PolarHBondContact OD2-OG1 2.67Å; T47-T77 WeakPolarHBondContact OG1-CA 3.34Å; T47-T77 PolarHBondContact OG1-N 3.38Å; T47-T77 PolarHBondContact OG1-OG1 2.89Å; T77-C80 PolarHBondContact O-N 3.13Å; T77-Q81 HydrophobicContact CG2-CG 4.36Å; T77-Q81 WeakPolarHBondContact O-CB 3.4Å; T77-Q81 WeakPolarHBondContact O-CG 3.33Å; T77-Q81 PolarHBondContact O-N 3.16Å; T77-N106 PolarHBondContact OG1-ND2 2.9Å
78S98Very high97.1Very high86 Ų8645 Ų4560%0.60127%0.272SS*.Hα-helixtrans-63.5-45.1179.3580000112.6T76 M82T76-S78 PolarHBondContact O-N 3.46Å; T76-S78 PolarHBondContact OG1-OG 2.9Å; S78-M82 VanDerWaalsContact O-CB 3.28Å; S78-M82 WeakPolarHBondContact O-CB 3.43Å; S78-M82 PolarHBondContact O-N 2.04Å
79A98.2Very high97.1Very high34 Ų3453.5 Ų53.528%0.28131%0.31SS..Hα-helixtrans-67.7-39.5179.100000111.8T75 T76 T83T75-A79 WeakPolarHBondContact OG1-CB 3.4Å; T76-A79 PolarHBondContact O-N 2.82Å; T76-A79 VanDerWaalsContact OG1-CB 3.25Å; T76-A79 WeakPolarHBondContact OG1-CB 3.18Å; T76-A79 PolarHBondContact OG1-N 3.35Å; A79-T83 WeakPolarHBondContact O-CB 3.46Å; A79-T83 PolarHBondContact O-N 3.33Å; A79-T83 PolarHBondContact O-OG1 2.85Å
80C98.2Very high97.1Very high0 Ų060.9 Ų60.90%034%0.338CS..Hα-helixtrans-65.1-46.5177.4-162.50000111.8T47 T75 T76 T77 T83 S84 C104T47-C80 HydrophobicContact CG2-CB 3.87Å; T75-C80 HydrophobicContact CG2-CB 3.73Å; T76-C80 WeakPolarHBondContact O-CB 3.29Å; T76-C80 PolarHBondContact O-N 2.81Å; T77-C80 PolarHBondContact O-N 3.13Å; C80-T83 PolarHBondContact O-N 3.23Å; C80-S84 WeakPolarHBondContact O-CB 3.32Å; C80-S84 PolarHBondContact O-N 2.94Å; C80-C104 VanDerWaalsContact C-SG 3.52Å; C80-C104 HydrophobicContact CB-CB 3.95Å; C80-C104 WeakPolarHBondContact CB-SG 3.24Å; C80-C104 WeakPolarHBondContact SG-CA 3.03Å; C80-C104 WeakPolarHBondContact SG-CB 3.19Å; C80-C104 CovalentContact SG-SG 2.02Å; C80-C104 PolarHBondContact SG-SG 2.97Å
81Q97.7Very high97Very high90 Ų9063.1 Ų63.142%0.42135%0.353SS..Hα-helixtrans-64.3-43.2177.2-70.2-66.9-18.500111.8T77 T83 S84 N85T77-Q81 HydrophobicContact CG2-CG 4.36Å; T77-Q81 WeakPolarHBondContact O-CB 3.4Å; T77-Q81 WeakPolarHBondContact O-CG 3.33Å; T77-Q81 PolarHBondContact O-N 3.16Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; Q81-T83 PolarHBondContact O-N 2.65Å; Q81-S84 PolarHBondContact O-N 2.81Å; Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.05Å; Q81-N85 PolarHBondContact O-ND2 3.06Å
82M98.1Very high96.7Very high127 Ų12763.9 Ų63.963%0.62636%0.36SS*.Hα-helixtrans-57.4-48.5174.3-177.6-177.3-68.600111.1S78 S84 N85 V86S78-M82 VanDerWaalsContact O-CB 3.28Å; S78-M82 WeakPolarHBondContact O-CB 3.43Å; S78-M82 PolarHBondContact O-N 2.04Å; M82-S84 PolarHBondContact O-N 3.45Å; M82-N85 PolarHBondContact O-N 3.25Å; M82-V86 HydrophobicContact CG-CG2 4.41Å; M82-V86 WeakPolarHBondContact O-CB 3.42Å; M82-V86 VanDerWaalsContact O-CG2 3.25Å; M82-V86 WeakPolarHBondContact O-CG2 3.41Å; M82-V86 PolarHBondContact O-N 2.7Å
83T97.6Very high96.2Very high46 Ų4668.8 Ų68.828%0.28238%0.378SS..Hα-helixtrans-59.9-47177.7-57.10000111.2I51 A79 C80 Q81 N85 V86 I87I51-T83 HydrophobicContact CD1-CG2 4.35Å; A79-T83 WeakPolarHBondContact O-CB 3.46Å; A79-T83 PolarHBondContact O-N 3.33Å; A79-T83 PolarHBondContact O-OG1 2.85Å; C80-T83 PolarHBondContact O-N 3.23Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; Q81-T83 PolarHBondContact O-N 2.65Å; T83-N85 VanDerWaalsContact C-N 3.32Å; T83-N85 PolarHBondContact O-N 2.85Å; T83-V86 PolarHBondContact O-N 3.06Å; T83-I87 HydrophobicContact CG2-CD1 4.19Å; T83-I87 VanDerWaalsContact O-CG1 3.3Å; T83-I87 WeakPolarHBondContact O-CG1 3.44Å; T83-I87 PolarHBondContact O-N 3.16Å; T83-I87 VanDerWaalsContact O-N 3.12Å
84S95.9Very high95.8Very high34 Ų3469 Ų6924%0.23838%0.377CS..Hα-helixtrans-57.1-44.9177.2-175.60000111.9C80 Q81 M82 S88C80-S84 WeakPolarHBondContact O-CB 3.32Å; C80-S84 PolarHBondContact O-N 2.94Å; Q81-S84 PolarHBondContact O-N 2.81Å; M82-S84 PolarHBondContact O-N 3.45Å; S84-S88 WeakPolarHBondContact O-CA 3.25Å; S84-S88 WeakPolarHBondContact O-CB 3.38Å; S84-S88 PolarHBondContact O-N 3.32Å
85N97.1Very high95.3Very high104 Ų10476.7 Ų76.756%0.55641%0.408SS*.Hα-helixtrans-66.4-47.5179.7-68.7-19.4000111.7Q81 M82 T83 I87 S88Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.05Å; Q81-N85 PolarHBondContact O-ND2 3.06Å; M82-N85 PolarHBondContact O-N 3.25Å; T83-N85 VanDerWaalsContact C-N 3.32Å; T83-N85 PolarHBondContact O-N 2.85Å; N85-I87 PolarHBondContact O-N 2.79Å; N85-S88 WeakPolarHBondContact O-CB 3.04Å; N85-S88 PolarHBondContact O-N 3.06Å; N85-S88 PolarHBondContact O-OG 2.91Å
86V97.2Very high94.9Very high114 Ų11480.6 Ų80.669%0.69143%0.432SS*.Hα-helixtrans-59.4-36-179.5168.10000112M82 T83M82-V86 HydrophobicContact CG-CG2 4.41Å; M82-V86 WeakPolarHBondContact O-CB 3.42Å; M82-V86 VanDerWaalsContact O-CG2 3.25Å; M82-V86 WeakPolarHBondContact O-CG2 3.41Å; M82-V86 PolarHBondContact O-N 2.7Å; T83-V86 PolarHBondContact O-N 3.06Å
87I96.4Very high94.6Very high24 Ų2486 Ų8612%0.12345%0.448CS..Hα-helixtrans-101.91.8-177.177.7-170.3000113.8T83 N85 E89 R90 C91 I100T83-I87 HydrophobicContact CG2-CD1 4.19Å; T83-I87 VanDerWaalsContact O-CG1 3.3Å; T83-I87 WeakPolarHBondContact O-CG1 3.44Å; T83-I87 PolarHBondContact O-N 3.16Å; T83-I87 VanDerWaalsContact O-N 3.12Å; N85-I87 PolarHBondContact O-N 2.79Å; I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 2.69Å; I87-R90 WeakPolarHBondContact O-CA 3.39Å; I87-R90 PolarHBondContact O-N 3.3Å; I87-C91 PolarHBondContact O-N 2.8Å; I87-I100 HydrophobicContact CB-CG2 4.11Å; I87-I100 HydrophobicContact CD1-CD1 4.2Å; I87-I100 HydrophobicContact CD1-CG1 3.99Å
88S92.8Very high94.4Very high67 Ų6787.5 Ų87.547%0.46945%0.454SS..G310 helixtrans-54.3-43-17459.30000112.7S84 N85 R90 C91S84-S88 WeakPolarHBondContact O-CA 3.25Å; S84-S88 WeakPolarHBondContact O-CB 3.38Å; S84-S88 PolarHBondContact O-N 3.32Å; N85-S88 WeakPolarHBondContact O-CB 3.04Å; N85-S88 PolarHBondContact O-N 3.06Å; N85-S88 PolarHBondContact O-OG 2.91Å; S88-R90 PolarHBondContact O-N 2.97Å; S88-C91 WeakPolarHBondContact O-CB 3.47Å; S88-C91 PolarHBondContact O-N 2.95Å
89E94.4Very high94.3Very high187 Ų18784.5 Ų84.587%0.87443%0.429SS*.G310 helixtrans-62.4-24178.1-61.6-175.6172.200113.5I87I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 2.69Å
90R95.3Very high94.2Very high163 Ų16384 Ų8462%0.61542%0.422SS*.G310 helixtrans-94-2.7178.8-60.9-179.665.5-178.1-0.2112.8I87 S88 S92 W99 I100I87-R90 WeakPolarHBondContact O-CA 3.39Å; I87-R90 PolarHBondContact O-N 3.3Å; S88-R90 PolarHBondContact O-N 2.97Å; R90-S92 VanDerWaalsContact C-N 3.34Å; R90-S92 PolarHBondContact O-N 3.04Å; R90-S92 VanDerWaalsContact O-N 3.14Å; R90-W99 VanDerWaalsContact O-CA 3.24Å; R90-W99 WeakPolarHBondContact O-CA 3.28Å; R90-W99 WeakPolarHBondContact O-CB 3.4Å; R90-I100 CarbonylContact C-O 3.58Å; R90-I100 HydrophobicContact CB-CG2 3.64Å; R90-I100 PolarHBondContact O-N 2.98Å; R90-I100 VanDerWaalsContact O-N 3.09Å
91C94.9Very high94.1Very high48 Ų4884 Ų8432%0.32442%0.422SS..  trans-88.168.3178.8-175.70000111.3I87 S88 I100 C101I87-C91 PolarHBondContact O-N 2.8Å; S88-C91 WeakPolarHBondContact O-CB 3.47Å; S88-C91 PolarHBondContact O-N 2.95Å; C91-I100 WeakPolarHBondContact CA-O 3.48Å; C91-I100 VanDerWaalsContact CB-O 3.24Å; C91-I100 WeakPolarHBondContact CB-O 3.39Å; C91-I100 PolarHBondContact N-O 3.07Å; C91-C101 WeakPolarHBondContact CA-SG 3.43Å; C91-C101 HydrophobicContact CB-CB 3.99Å; C91-C101 WeakPolarHBondContact CB-SG 3.39Å; C91-C101 WeakPolarHBondContact SG-CB 3.31Å; C91-C101 CovalentContact SG-SG 2.03Å; C91-C101 PolarHBondContact SG-SG 2.96Å
92S91.1Very high94.1Very high54 Ų5480.2 Ų80.238%0.37841%0.405SS..  trans-90.9-15.9-17870.60000115R90 S94R90-S92 VanDerWaalsContact C-N 3.34Å; R90-S92 PolarHBondContact O-N 3.04Å; R90-S92 VanDerWaalsContact O-N 3.14Å; S92-S94 PolarHBondContact O-N 2.76Å; S92-S94 WeakPolarHBondContact OG-CB 3.21Å; S92-S94 PolarHBondContact OG-N 2.85Å
93R87.3Confident94Very high111 Ų11176.2 Ų76.242%0.41938%0.383SS..  trans48.726.4-171.1-65.2-171.7175.5170.22.1114.7Y103 P115R93-Y103 PolarHBondContact NE-OH 2.89Å; R93-Y103 VanDerWaalsContact NE-OH 3.14Å; R93-Y103 VanDerWaalsContact NH2-CZ 3.29Å; R93-Y103 PolarHBondContact NH2-OH 2.81Å; R93-P115 PolarHBondContact NH2-O 3.27Å
94S90Very high94Very high25 Ų2576 Ų7618%0.17538%0.383CS..  trans-71137.9178.8-178.20000111.6S92 T96 W99S92-S94 PolarHBondContact O-N 2.76Å; S92-S94 WeakPolarHBondContact OG-CB 3.21Å; S92-S94 PolarHBondContact OG-N 2.85Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 2.9Å; S94-T96 PolarHBondContact OG-N 2.78Å; S94-T96 PolarHBondContact OG-OG1 2.86Å; S94-W99 VanDerWaalsContact N-CD1 3.31Å; S94-W99 PolarHBondContact O-NE1 2.87Å
95K87.5Confident94.1Very high181 Ų18176 Ų7679%0.78738%0.382SS*.SBendtrans-72-23175-67.4-175.91801790113.4
96T89.1Confident94Very high104 Ų10475.7 Ų75.764%0.63838%0.381SS*.SBendtrans-103-14.1-171.3550000113.6R66 S94R66-T96 VanDerWaalsContact CZ-O 3.28Å; R66-T96 PolarHBondContact NH1-O 3.3Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 2.9Å; S94-T96 PolarHBondContact OG-N 2.78Å; S94-T96 PolarHBondContact OG-OG1 2.86Å
97R92.1Very high93.8Very high157 Ų15773.7 Ų73.759%0.59237%0.372SS*.SBendtrans-120.9154-178.1-64-173.4-68.2172.5-0.8110.4W99R97-W99 VanDerWaalsContact O-CD1 3.28Å
98D94.4Very high93.8Very high82 Ų8276.5 Ų76.544%0.43939%0.387SS..  trans-68.4140.2171.4-65.813.9000108.9Y54 R66Y54-D98 WeakPolarHBondContact O-CA 3.38Å; R66-D98 IonicContact CZ-OD1 2.72Å; R66-D98 IonicContact NE-OD1 3.77Å; R66-D98 PolarHBondContact NE-OD1 2.04Å; R66-D98 IonicContact NH2-OD1 3.44Å; R66-D98 PolarHBondContact NH2-OD1 2.79Å
99W95.7Very high94Very high23 Ų2378.6 Ų78.69%0.08739%0.385CS..EExtended strand (participates in β ladder)trans-147156.3176.453.8-97000110.7V52 Y54 R90 S94 R97 C101V52-W99 HydrophobicContact CB-CH2 4.5Å; V52-W99 HydrophobicContact CB-CZ3 3.94Å; V52-W99 HydrophobicContact CG1-CH2 3.77Å; V52-W99 HydrophobicContact CG1-CZ3 3.67Å; Y54-W99 VanDerWaalsContact CB-CD2 3.47Å; Y54-W99 VanDerWaalsContact CB-NE1 3.33Å; Y54-W99 AromaticContact CD1-CD1 3.71Å; Y54-W99 AromaticContact CD1-CE2 3.87Å; Y54-W99 HydrophobicContact CD1-CZ2 4.38Å; Y54-W99 AromaticContact CD1-NE1 3.18Å; Y54-W99 HydrophobicContact CD2-CZ2 4.1Å; Y54-W99 HydrophobicContact CG-CD2 4.36Å; Y54-W99 AromaticContact CG-CE2 3.56Å; Y54-W99 AromaticContact CG-CZ2 3.74Å; Y54-W99 HydrophobicContact CG-CZ2 3.74Å; Y54-W99 AromaticContact CG-NE1 3.4Å; Y54-W99 PolarHBondContact N-O 3.15Å; Y54-W99 PolarHBondContact O-N 3.21Å; R90-W99 VanDerWaalsContact O-CA 3.24Å; R90-W99 WeakPolarHBondContact O-CA 3.28Å; R90-W99 WeakPolarHBondContact O-CB 3.4Å; S94-W99 VanDerWaalsContact N-CD1 3.31Å; S94-W99 PolarHBondContact O-NE1 2.87Å; R97-W99 VanDerWaalsContact O-CD1 3.28Å; W99-C101 HydrophobicContact CE3-CB 4.5Å; W99-C101 HydrophobicContact CZ3-CB 4.43Å
100I96.2Very high94.1Very high24 Ų2471.5 Ų71.512%0.12336%0.355CS..EExtended strand (participates in β ladder)trans-135.8135.5175-175.6176.9000109.1I51 V52 Q53 I87 R90 C91I51-I100 HydrophobicContact CG2-CD1 3.83Å; I51-I100 HydrophobicContact CG2-CG1 3.91Å; V52-I100 CarbonylContact O-C 3.55Å; V52-I100 VanDerWaalsContact O-CA 3.22Å; V52-I100 WeakPolarHBondContact O-CA 2.97Å; Q53-I100 HydrophobicContact CG-CB 4.24Å; Q53-I100 HydrophobicContact CG-CD1 3.6Å; Q53-I100 HydrophobicContact CG-CG1 3.65Å; I87-I100 HydrophobicContact CB-CG2 4.11Å; I87-I100 HydrophobicContact CD1-CD1 4.2Å; I87-I100 HydrophobicContact CD1-CG1 3.99Å; R90-I100 CarbonylContact C-O 3.58Å; R90-I100 HydrophobicContact CB-CG2 3.64Å; R90-I100 PolarHBondContact O-N 2.98Å; R90-I100 VanDerWaalsContact O-N 3.09Å; C91-I100 WeakPolarHBondContact CA-O 3.48Å; C91-I100 VanDerWaalsContact CB-O 3.24Å; C91-I100 WeakPolarHBondContact CB-O 3.39Å; C91-I100 PolarHBondContact N-O 3.07Å
101C96.5Very high94.2Very high0 Ų063.9 Ų63.90%033%0.327CS..EExtended strand (participates in β ladder)trans-132.9146.7178.2-62.30000110.1I51 V52 C91 W99 Y103I51-C101 CarbonylContact C-O 3.59Å; I51-C101 WeakPolarHBondContact CA-O 3.28Å; V52-C101 PolarHBondContact N-O 2.95Å; V52-C101 PolarHBondContact O-N 2.98Å; C91-C101 WeakPolarHBondContact CA-SG 3.43Å; C91-C101 HydrophobicContact CB-CB 3.99Å; C91-C101 WeakPolarHBondContact CB-SG 3.39Å; C91-C101 WeakPolarHBondContact SG-CB 3.31Å; C91-C101 CovalentContact SG-SG 2.03Å; C91-C101 PolarHBondContact SG-SG 2.96Å; W99-C101 HydrophobicContact CE3-CB 4.5Å; W99-C101 HydrophobicContact CZ3-CB 4.43Å; C101-Y103 HydrophobicContact CB-CE2 3.77Å; C101-Y103 WeakPolarHBondContact CB-OH 3.5Å; C101-Y103 PolarHBondContact SG-OH 2.02Å
102S96.8Very high94.3Very high9 Ų965.4 Ų65.46%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-119.4139173.3177.20000109Q49 S50Q49-S102 PolarHBondContact NE2-OG 3.01Å; S50-S102 CarbonylContact O-C 3.56Å; S50-S102 WeakPolarHBondContact O-CA 3.22Å
103Y96.5Very high94.5Very high44 Ų4471 Ų7117%0.17334%0.34CS..EExtended strand (participates in β ladder)trans-127.2137.9177.7-55.6-73000109.3Q49 S50 V52 R93 C101 V114 P115Q49-Y103 CarbonylContact C-O 3.59Å; Q49-Y103 WeakPolarHBondContact CA-O 3.43Å; S50-Y103 PolarHBondContact N-O 3.21Å; S50-Y103 PolarHBondContact O-N 2.76Å; V52-Y103 HydrophobicContact CG2-CD2 4.17Å; V52-Y103 HydrophobicContact CG2-CE2 3.81Å; R93-Y103 PolarHBondContact NE-OH 2.89Å; R93-Y103 VanDerWaalsContact NE-OH 3.14Å; R93-Y103 VanDerWaalsContact NH2-CZ 3.29Å; R93-Y103 PolarHBondContact NH2-OH 2.81Å; C101-Y103 HydrophobicContact CB-CE2 3.77Å; C101-Y103 WeakPolarHBondContact CB-OH 3.5Å; C101-Y103 PolarHBondContact SG-OH 2.02Å; Y103-V114 HydrophobicContact CE2-CG1 4.34Å; Y103-P115 HydrophobicContact CD1-CB 4.02Å; Y103-P115 HydrophobicContact CD1-CG 3.74Å; Y103-P115 HydrophobicContact CD2-CG 4.24Å; Y103-P115 HydrophobicContact CE1-CB 3.86Å; Y103-P115 HydrophobicContact CE1-CG 4.12Å; Y103-P115 HydrophobicContact CE2-CB 4.42Å; Y103-P115 HydrophobicContact CG-CB 4.41Å; Y103-P115 HydrophobicContact CG-CG 3.83Å
104C96.9Very high94.5Very high41 Ų4166.5 Ų66.528%0.27733%0.325SS..EExtended strand (participates in β ladder)trans-121.5139.3-177.1-50.50000109.3T47 C80T47-C104 HydrophobicContact CG2-CB 3.95Å; C80-C104 VanDerWaalsContact C-SG 3.52Å; C80-C104 HydrophobicContact CB-CB 3.95Å; C80-C104 WeakPolarHBondContact CB-SG 3.24Å; C80-C104 WeakPolarHBondContact SG-CA 3.03Å; C80-C104 WeakPolarHBondContact SG-CB 3.19Å; C80-C104 CovalentContact SG-SG 2.02Å; C80-C104 PolarHBondContact SG-SG 2.97Å
105C97.2Very high94Very high34 Ų3468.3 Ų68.323%0.2334%0.336CS..EExtended strand (participates in β ladder)trans-152.2155.4171.259.40000110.8C48 C110 N111C48-C105 PolarHBondContact N-O 3.1Å; C48-C105 PolarHBondContact O-N 3.33Å; C105-C110 HydrophobicContact CB-CB 3.7Å; C105-C110 WeakPolarHBondContact CB-SG 3.25Å; C105-C110 PolarHBondContact O-SG 3.09Å; C105-C110 WeakPolarHBondContact SG-CB 3.4Å; C105-C110 CovalentContact SG-SG 2.02Å; C105-C110 PolarHBondContact SG-SG 2.89Å; C105-N111 PolarHBondContact SG-N 3.47Å; C105-N111 VanDerWaalsContact SG-N 3.42Å
106N95.1Very high92.9Very high98 Ų9861.8 Ų61.852%0.52432%0.321SS..  trans-123.326.3-164.2-61.291.3000113.6D46 T47 T77D46-N106 PolarHBondContact O-ND2 2.87Å; T47-N106 PolarHBondContact OG1-ND2 3.44Å; T77-N106 PolarHBondContact OG1-ND2 2.9Å
107S94.7Very high91.1Very high71 Ų7160.5 Ų60.550%0.49733%0.327SS..SBendtrans-127.1160.4176.478.20000111L19 R109 C110L19-S107 VanDerWaalsContact CD1-C 3.42Å; S107-R109 PolarHBondContact O-N 2.92Å; S107-C110 WeakPolarHBondContact O-CB 3.17Å; S107-C110 PolarHBondContact O-N 3.5Å; S107-C110 VanDerWaalsContact O-N 3.15Å; S107-C110 PolarHBondContact O-SG 3.18Å; S107-C110 VanDerWaalsContact OG-CB 3.3Å; S107-C110 WeakPolarHBondContact OG-CB 3.3Å
108D96.3Very high88.8Confident83 Ų8356.1 Ų56.144%0.44433%0.325SS..THydrogen-bonded Turntrans-54128.3179.6-72.2-29.3000111.7L19 E20 C110L19-D108 WeakPolarHBondContact CA-OD1 3.26Å; E20-D108 PolarHBondContact N-OD1 3.5Å; D108-C110 PolarHBondContact O-N 3.28Å
109R96.5Very high86.7Confident112 Ų11253.6 Ų53.642%0.42331%0.311SS..THydrogen-bonded Turntrans56.121.9173.7-55.2177-168.4-174.8-0.2112.5E20 Y22 S107 N111 Y112E20-R109 HydrophobicContact CB-CG 4.2Å; E20-R109 PolarHBondContact O-N 3.19Å; E20-R109 IonicContact OE1-NH2 3.27Å; E20-R109 IonicContact OE2-CZ 3.93Å; E20-R109 IonicContact OE2-NE 2.69Å; E20-R109 PolarHBondContact OE2-NE 2.76Å; E20-R109 IonicContact OE2-NH2 3.22Å; E20-R109 PolarHBondContact OE2-NH2 3.14Å; Y22-R109 HydrophobicContact CD2-CB 4.29Å; Y22-R109 HydrophobicContact CE2-CB 3.65Å; Y22-R109 HydrophobicContact CE2-CG 4.34Å; S107-R109 PolarHBondContact O-N 2.92Å; R109-N111 PolarHBondContact O-N 2.96Å; R109-Y112 PolarHBondContact O-N 2.79Å
110C96.9Very high84.3Confident37 Ų3763.6 Ų63.625%0.2535%0.349CS..G310 helixtrans-62.6-27.5-175.463.30000113.1C48 C105 S107 D108 Y112C48-C110 VanDerWaalsContact SG-SG 3.66Å; C105-C110 HydrophobicContact CB-CB 3.7Å; C105-C110 WeakPolarHBondContact CB-SG 3.25Å; C105-C110 PolarHBondContact O-SG 3.09Å; C105-C110 WeakPolarHBondContact SG-CB 3.4Å; C105-C110 CovalentContact SG-SG 2.02Å; C105-C110 PolarHBondContact SG-SG 2.89Å; S107-C110 WeakPolarHBondContact O-CB 3.17Å; S107-C110 PolarHBondContact O-N 3.5Å; S107-C110 VanDerWaalsContact O-N 3.15Å; S107-C110 PolarHBondContact O-SG 3.18Å; S107-C110 VanDerWaalsContact OG-CB 3.3Å; S107-C110 WeakPolarHBondContact OG-CB 3.3Å; D108-C110 PolarHBondContact O-N 3.28Å; C110-Y112 PolarHBondContact O-N 3.06Å
111N97Very high81.7Confident3 Ų368 Ų682%0.01638%0.377CS..G310 helixtrans-82.318.8-179.372.2-21.4000113Y22 C48 S50 K72 C105 R109 Y113Y22-N111 WeakPolarHBondContact CB-OD1 3.36Å; Y22-N111 WeakPolarHBondContact CD2-OD1 3.44Å; Y22-N111 PolarHBondContact N-OD1 2.95Å; Y22-N111 PolarHBondContact O-ND2 3.45Å; C48-N111 HydrophobicContact CB-CB 3.78Å; S50-N111 WeakPolarHBondContact OG-CB 3.47Å; K72-N111 VanDerWaalsContact CE-O 3.28Å; K72-N111 WeakPolarHBondContact CE-O 3.45Å; K72-N111 PolarHBondContact NZ-O 2.88Å; C105-N111 PolarHBondContact SG-N 3.47Å; C105-N111 VanDerWaalsContact SG-N 3.42Å; R109-N111 PolarHBondContact O-N 2.96Å; N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.94Å
112Y97Very high79.3Confident80 Ų8073.9 Ų73.931%0.31442%0.417SS..G310 helixtrans-53.9-47.4175.7-176.9-100.4000111.7Y22 N30 I35 K72 R109 C110Y22-Y112 HydrophobicContact CD2-CD2 4.27Å; Y22-Y112 HydrophobicContact CE1-CD2 4.23Å; Y22-Y112 AromaticContact CE2-CD2 3.51Å; Y22-Y112 HydrophobicContact CE2-CD2 3.51Å; Y22-Y112 HydrophobicContact CE2-CG 4.06Å; Y22-Y112 AromaticContact CZ-CD2 3.5Å; Y22-Y112 VanDerWaalsContact CZ-CD2 3.5Å; Y22-Y112 WeakPolarHBondContact OH-CD2 3.37Å; N30-Y112 PolarHBondContact ND2-O 2.82Å; N30-Y112 PolarHBondContact OD1-O 2.89Å; I35-Y112 HydrophobicContact CB-CD2 4.32Å; I35-Y112 HydrophobicContact CB-CE2 3.8Å; I35-Y112 HydrophobicContact CG2-CD2 4.43Å; I35-Y112 HydrophobicContact CG2-CE2 4.14Å; K72-Y112 PolarHBondContact NZ-O 2.83Å; R109-Y112 PolarHBondContact O-N 2.79Å; C110-Y112 PolarHBondContact O-N 3.06Å
113Y94.2Very high76.9Confident171 Ų17176.1 Ų76.167%0.67143%0.433SS*.SBendtrans-96.1147.9176.9-62.3-68.6000111.5N111N111-Y113 VanDerWaalsContact C-N 3.29Å; N111-Y113 PolarHBondContact O-N 2.94Å
114V87.7Confident74.8Confident17 Ų1778.3 Ų78.310%0.10345%0.452CS..PPolyproline II helixtrans-101118.3167.9170.70000108.2N30 V52 V70 Y103 G116 L119N30-V114 HydrophobicContact CB-CG2 4.35Å; V52-V114 HydrophobicContact CB-CG1 4.32Å; V52-V114 HydrophobicContact CG1-CG1 4.39Å; V52-V114 HydrophobicContact CG2-CB 4.35Å; V52-V114 HydrophobicContact CG2-CG1 3.07Å; V52-V114 HydrophobicContact CG2-CG2 4.41Å; V70-V114 HydrophobicContact CG1-CG2 3.85Å; V70-V114 HydrophobicContact CG2-CG2 4.36Å; Y103-V114 HydrophobicContact CE2-CG1 4.34Å; V114-G116 PolarHBondContact O-N 3.28Å; V114-L119 HydrophobicContact CB-CD1 3.92Å; V114-L119 HydrophobicContact CG1-CD1 4.25Å; V114-L119 HydrophobicContact CG2-CD1 4.24Å
115P80.5Confident72.9Confident64 Ų6483.2 Ų83.242%0.41647%0.471SS..THydrogen-bonded Turntrans-56.9129.4176.9-26.435.1000111.6R93 Y103R93-P115 PolarHBondContact NH2-O 3.27Å; Y103-P115 HydrophobicContact CD1-CB 4.02Å; Y103-P115 HydrophobicContact CD1-CG 3.74Å; Y103-P115 HydrophobicContact CD2-CG 4.24Å; Y103-P115 HydrophobicContact CE1-CB 3.86Å; Y103-P115 HydrophobicContact CE1-CG 4.12Å; Y103-P115 HydrophobicContact CE2-CB 4.42Å; Y103-P115 HydrophobicContact CG-CB 4.41Å; Y103-P115 HydrophobicContact CG-CG 3.83Å
116G63.2Low70.9Confident44 Ų4486.2 Ų86.245%0.45449%0.489SS..THydrogen-bonded Turntrans115.59.3171.200000117.4V114 A118V114-G116 PolarHBondContact O-N 3.28Å; G116-A118 PolarHBondContact O-N 3.12Å
117G52.5Low69.3Low76 Ų7689.7 Ų89.778%0.78450%0.496SS*.SBendtrans611.7146.200000119.9L119G117-L119 PolarHBondContact O-N 3.47Å
118A43.6Very low67.8Low66 Ų6690.4 Ų90.455%0.54550%0.497SS..  trans-842.1175.400000113.2G116 R120G116-A118 PolarHBondContact O-N 3.12Å; A118-R120 PolarHBondContact O-N 3.37Å
119L49.8Very low66.4Low28 Ų2889.2 Ų89.215%0.14750%0.498CS..SBendtrans-82.7109.3172.6-55.4-177.6000106.5N30 A68 V70 V114 G117 T121N30-L119 HydrophobicContact CB-CD1 3.21Å; N30-L119 HydrophobicContact CB-CG 4.42Å; A68-L119 HydrophobicContact CB-CD2 3.29Å; V70-L119 HydrophobicContact CG2-CD1 3.89Å; V114-L119 HydrophobicContact CB-CD1 3.92Å; V114-L119 HydrophobicContact CG1-CD1 4.25Å; V114-L119 HydrophobicContact CG2-CD1 4.24Å; G117-L119 PolarHBondContact O-N 3.47Å; L119-T121 PolarHBondContact O-N 3.41Å
120R44.5Very low65Low234 Ų23489.6 Ų89.688%0.88351%0.508SS*.  trans-54.390171.9-72.8-179.1161.3-143.5-1.1108.7A118 C122A118-R120 PolarHBondContact O-N 3.37Å; R120-C122 PolarHBondContact O-N 2.8Å
121T41.7Very low63.9Low116 Ų11694.4 Ų94.471%0.71253%0.525SS*.  trans-71.9105.7155.4290000103.9L119 S123L119-T121 PolarHBondContact O-N 3.41Å; T121-S123 PolarHBondContact O-N 2.95Å
122C47.6Very low62.9Low124 Ų12498.9 Ų98.984%0.83855%0.548SS*.  trans-61.690158.1-78.60000105.5R120 P124R120-C122 PolarHBondContact O-N 2.8Å; C122-P124 WeakPolarHBondContact O-CD 3.39Å
123S46.3Very low61.9Low56 Ų56100.9 Ų100.939%0.39256%0.564SS.*  trans-66.5130.5177.895.30000106.9T121 Q125T121-S123 PolarHBondContact O-N 2.95Å; S123-Q125 PolarHBondContact O-N 3.44Å; S123-Q125 VanDerWaalsContact OG-CB 3.28Å; S123-Q125 WeakPolarHBondContact OG-CB 3.09Å; S123-Q125 VanDerWaalsContact OG-CG 3.29Å; S123-Q125 WeakPolarHBondContact OG-CG 3.45Å; S123-Q125 PolarHBondContact OG-N 2.92Å
124P52.4Low61.2Low90 Ų9096 Ų9658%0.58455%0.554SS**THydrogen-bonded Turntrans-72.920.8169.929.4-32.2000112.4C122 T126 Y127C122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-T126 PolarHBondContact O-N 3.27Å; P124-T126 VanDerWaalsContact O-N 3.1Å; P124-Y127 HydrophobicContact CB-CD2 3.93Å; P124-Y127 PolarHBondContact O-N 3.45Å
125Q56.8Low60.8Low143 Ų14399.4 Ų99.467%0.66857%0.571SS**Hα-helixtrans-65.2-13.4-177.8-67.7-173.513.800113.6S123 Y127 T128S123-Q125 PolarHBondContact O-N 3.44Å; S123-Q125 VanDerWaalsContact OG-CB 3.28Å; S123-Q125 WeakPolarHBondContact OG-CB 3.09Å; S123-Q125 VanDerWaalsContact OG-CG 3.29Å; S123-Q125 WeakPolarHBondContact OG-CG 3.45Å; S123-Q125 PolarHBondContact OG-N 2.92Å; Q125-Y127 VanDerWaalsContact C-N 3.3Å; Q125-T128 PolarHBondContact O-OG1 3.02Å
126T55.4Low60.6Low98 Ų98103.5 Ų103.560%0.60158%0.579SS**Hα-helixtrans-73.1-2117143.40000113.3P124P124-T126 PolarHBondContact O-N 3.27Å; P124-T126 VanDerWaalsContact O-N 3.1Å
127Y61Low61.2Low171 Ų171104.4 Ų104.467%0.67158%0.579SS**Hα-helixtrans-83.7-28.2179.4-62.5-73.3000113.2P124 Q125 F131P124-Y127 HydrophobicContact CB-CD2 3.93Å; P124-Y127 PolarHBondContact O-N 3.45Å; Q125-Y127 VanDerWaalsContact C-N 3.3Å; Y127-F131 WeakPolarHBondContact O-CB 3.39Å; Y127-F131 PolarHBondContact O-N 3.46Å; Y127-F131 VanDerWaalsContact O-N 3.16Å
128T62.5Low62.3Low86 Ų86104.6 Ų104.653%0.52856%0.561SS.*Hα-helixtrans-73.6-38.5-179.152.50000112.5Q125 F131 I132Q125-T128 PolarHBondContact O-OG1 3.02Å; T128-F131 PolarHBondContact O-N 2.03Å; T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.14Å; T128-I132 VanDerWaalsContact O-N 3.08Å
129A66.9Low63.7Low57 Ų57108.3 Ų108.347%0.47157%0.565SS.*Hα-helixtrans-66.4-40.2177.600000112.6I132 L133A129-I132 PolarHBondContact O-N 2.86Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.27Å
130L67.4Low64.5Low120 Ų120116.2 Ų116.263%0.62859%0.593SS**Hα-helixtrans-66.2-38.4175.3-82.3164.2000111.9C134L130-C134 VanDerWaalsContact O-CB 3.31Å; L130-C134 WeakPolarHBondContact O-CB 3.13Å; L130-C134 PolarHBondContact O-N 3.4Å
131F74.2Confident65.8Low139 Ų139113.4 Ų113.461%0.6159%0.587SS**Hα-helixtrans-65.9-42.3177.4-162.7-102.8000112Y127 T128 C134 L135Y127-F131 WeakPolarHBondContact O-CB 3.39Å; Y127-F131 PolarHBondContact O-N 3.46Å; Y127-F131 VanDerWaalsContact O-N 3.16Å; T128-F131 PolarHBondContact O-N 2.03Å; F131-C134 PolarHBondContact O-N 3.3Å; F131-L135 HydrophobicContact CD1-CD1 3.75Å; F131-L135 HydrophobicContact CD1-CG 4.23Å; F131-L135 HydrophobicContact CE1-CD1 3.58Å; F131-L135 HydrophobicContact CE1-CD2 4.5Å; F131-L135 HydrophobicContact CE1-CG 4.1Å; F131-L135 HydrophobicContact CZ-CD1 4.48Å; F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.21Å
132I75.8Confident67.2Low96 Ų96116.2 Ų116.249%0.49259%0.59SS.*Hα-helixtrans-65.4-45.3176.9-66172.7000110.9T128 A129 C134 L135 Y136T128-I132 WeakPolarHBondContact O-CG1 3.33Å; T128-I132 PolarHBondContact O-N 3.14Å; T128-I132 VanDerWaalsContact O-N 3.08Å; A129-I132 PolarHBondContact O-N 2.86Å; I132-C134 VanDerWaalsContact C-N 3.3Å; I132-C134 PolarHBondContact O-N 2.96Å; I132-L135 PolarHBondContact O-N 3.33Å; I132-Y136 HydrophobicContact CG2-CD2 3.65Å; I132-Y136 HydrophobicContact CG2-CE2 3.73Å; I132-Y136 WeakPolarHBondContact O-CD2 3.32Å; I132-Y136 PolarHBondContact O-N 3.09Å
133L76.8Confident68Low122 Ų122117.5 Ų117.564%0.63959%0.594SS**Hα-helixtrans-61.1-39175.8-76.7168.2000112.3A129 Y136 S137A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 3.27Å; L133-Y136 PolarHBondContact O-N 3Å; L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 3.11Å; L133-S137 PolarHBondContact O-OG 3.09Å
134C78.6Confident69.1Low69 Ų69120.6 Ų120.647%0.46660%0.604SS.*Hα-helixtrans-64.1-46.7176.1-151.70000110.8L130 F131 I132 Y136 S137 I138L130-C134 VanDerWaalsContact O-CB 3.31Å; L130-C134 WeakPolarHBondContact O-CB 3.13Å; L130-C134 PolarHBondContact O-N 3.4Å; F131-C134 PolarHBondContact O-N 3.3Å; I132-C134 VanDerWaalsContact C-N 3.3Å; I132-C134 PolarHBondContact O-N 2.96Å; C134-Y136 PolarHBondContact O-N 3.49Å; C134-S137 PolarHBondContact O-N 2.72Å; C134-S137 PolarHBondContact O-OG 3.2Å; C134-I138 VanDerWaalsContact O-CG1 3.26Å; C134-I138 WeakPolarHBondContact O-CG1 3.2Å; C134-I138 PolarHBondContact O-N 3.43Å
135L78.7Confident70Confident89 Ų89122.2 Ų122.247%0.46661%0.605SS.*Hα-helixtrans-60.8-41.7175.2-72.2177.7000113F131 I132 S137 I138 F139F131-L135 HydrophobicContact CD1-CD1 3.75Å; F131-L135 HydrophobicContact CD1-CG 4.23Å; F131-L135 HydrophobicContact CE1-CD1 3.58Å; F131-L135 HydrophobicContact CE1-CD2 4.5Å; F131-L135 HydrophobicContact CE1-CG 4.1Å; F131-L135 HydrophobicContact CZ-CD1 4.48Å; F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.21Å; I132-L135 PolarHBondContact O-N 3.33Å; L135-S137 VanDerWaalsContact C-N 3.35Å; L135-S137 PolarHBondContact O-N 3.06Å; L135-I138 PolarHBondContact O-N 3.05Å; L135-F139 WeakPolarHBondContact O-CB 3.24Å; L135-F139 PolarHBondContact O-N 3.18Å
136Y76.5Confident70.7Confident149 Ų149121.1 Ų121.158%0.58460%0.601SS**Hα-helixtrans-63.7-39.8174.7-93-84.8000112I132 L133 C134 I138 F139 W140I132-Y136 HydrophobicContact CG2-CD2 3.65Å; I132-Y136 HydrophobicContact CG2-CE2 3.73Å; I132-Y136 WeakPolarHBondContact O-CD2 3.32Å; I132-Y136 PolarHBondContact O-N 3.09Å; L133-Y136 PolarHBondContact O-N 3Å; C134-Y136 PolarHBondContact O-N 3.49Å; Y136-I138 VanDerWaalsContact C-N 3.28Å; Y136-I138 PolarHBondContact O-N 3.38Å; Y136-F139 PolarHBondContact O-N 2.92Å; Y136-W140 PolarHBondContact O-N 3.25Å
137S75.6Confident71.6Confident63 Ų63122.4 Ų122.444%0.44160%0.601SS.*Hα-helixtrans-68.9-27.417775.60000113.3L133 C134 L135 K141L133-S137 WeakPolarHBondContact O-CB 3.43Å; L133-S137 PolarHBondContact O-N 3.11Å; L133-S137 PolarHBondContact O-OG 3.09Å; C134-S137 PolarHBondContact O-N 2.72Å; C134-S137 PolarHBondContact O-OG 3.2Å; L135-S137 VanDerWaalsContact C-N 3.35Å; L135-S137 PolarHBondContact O-N 3.06Å; S137-K141 WeakPolarHBondContact O-CG 3.13Å
138I75.9Confident72.3Confident80 Ų80119.4 Ų119.441%0.4160%0.597SS.*Hα-helixtrans-76.7-47.4172.7-66.1165.7000109.2C134 L135 Y136 W140 K141 F142C134-I138 VanDerWaalsContact O-CG1 3.26Å; C134-I138 WeakPolarHBondContact O-CG1 3.2Å; C134-I138 PolarHBondContact O-N 3.43Å; L135-I138 PolarHBondContact O-N 3.05Å; Y136-I138 VanDerWaalsContact C-N 3.28Å; Y136-I138 PolarHBondContact O-N 3.38Å; I138-W140 VanDerWaalsContact C-N 3.32Å; I138-W140 PolarHBondContact O-N 3.27Å; I138-K141 WeakPolarHBondContact O-CB 3.48Å; I138-K141 PolarHBondContact O-N 2.72Å; I138-F142 HydrophobicContact CG2-CD2 3.98Å; I138-F142 HydrophobicContact CG2-CE2 3.81Å; I138-F142 WeakPolarHBondContact O-CD2 3.49Å
139F74Confident72.9Confident144 Ų144121.6 Ų121.663%0.63260%0.602SS**Hα-helixtrans-60.3-40.2-178.4-165.1-95.6000112.2L135 Y136 K141 F142 V143L135-F139 WeakPolarHBondContact O-CB 3.24Å; L135-F139 PolarHBondContact O-N 3.18Å; Y136-F139 PolarHBondContact O-N 2.92Å; F139-K141 PolarHBondContact O-N 3.24Å; F139-F142 PolarHBondContact O-N 3.27Å; F139-F142 VanDerWaalsContact O-N 3.11Å; F139-V143 HydrophobicContact CD1-CG2 4.17Å; F139-V143 HydrophobicContact CE1-CG2 3.81Å; F139-V143 HydrophobicContact CZ-CG2 4.28Å; F139-V143 PolarHBondContact O-N 3.37Å
140W66.6Low73.4Confident194 Ų194126.2 Ų126.274%0.73561%0.611SS**THydrogen-bonded Turntrans-72.9-11.2176.3-134.9-70.1000114.4Y136 I138Y136-W140 PolarHBondContact O-N 3.25Å; I138-W140 VanDerWaalsContact C-N 3.32Å; I138-W140 PolarHBondContact O-N 3.27Å
141K71.7Confident73.8Confident176 Ų176126.7 Ų126.777%0.76561%0.61SS**THydrogen-bonded Turntrans-85.7-9.9170.3-77.7-177.8176.2-173.30112.8S137 I138 F139S137-K141 WeakPolarHBondContact O-CG 3.13Å; I138-K141 WeakPolarHBondContact O-CB 3.48Å; I138-K141 PolarHBondContact O-N 2.72Å; F139-K141 PolarHBondContact O-N 3.24Å
142F70.2Confident73.8Confident174 Ų174125.7 Ų125.776%0.76361%0.61SS**  trans-118.28.5-178.2-68.4-71.8000113.9I138 F139I138-F142 HydrophobicContact CG2-CD2 3.98Å; I138-F142 HydrophobicContact CG2-CE2 3.81Å; I138-F142 WeakPolarHBondContact O-CD2 3.49Å; F139-F142 PolarHBondContact O-N 3.27Å; F139-F142 VanDerWaalsContact O-N 3.11Å
143V65.5Low73.6Confident152 Ų152128.4 Ų128.492%0.92162%0.62SS**  trans-117.80166.7179.50000107.9F139F139-V143 HydrophobicContact CD1-CG2 4.17Å; F139-V143 HydrophobicContact CE1-CG2 3.81Å; F139-V143 HydrophobicContact CZ-CG2 4.28Å; F139-V143 PolarHBondContact O-N 3.37Å

Retrieved 143 of 143 residues in 155.9 ms (Link to these results)

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