A0A090DC16_ORYLA Loading...

Microtubule-associated protein 1 light chain 3 beta

AlphaFold DB , UniProt , Accession A0A090DC16, Species ORYLA (Oryzias latipes, Japanese rice fish), Gene MAP1LC3B, Length 126 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
1M39.4Very low80Confident227 Ų227108.1 Ų108.1100%1.11852%0.522SS*.  0128.20-64.9-59.9-179.100108.1S3M1-S3 PolarHBondContact O-N 2.69Å
2P53.8Low81.6Confident82 Ų82104.8 Ų104.853%0.53251%0.514SS..  trans-55.6130.9167.512.2-12.7000108.4E4 I46P2-E4 PolarHBondContact O-N 3.21Å; P2-I46 HydrophobicContact CB-CG2 4.13Å; P2-I46 HydrophobicContact CG-CB 4.29Å; P2-I46 HydrophobicContact CG-CD1 3.9Å; P2-I46 HydrophobicContact CG-CG2 3.69Å
3S59.1Low82.8Confident66 Ų66102.6 Ų102.646%0.46250%0.5SS..  trans-56.5130.1-179.4158.40000110M1 K5M1-S3 PolarHBondContact O-N 2.69Å; S3-K5 PolarHBondContact O-N 3.35Å; S3-K5 VanDerWaalsContact O-N 3.11Å; S3-K5 WeakPolarHBondContact OG-CB 3.42Å; S3-K5 PolarHBondContact OG-N 2.97Å; S3-K5 VanDerWaalsContact OG-N 3.1Å
4E72Confident84Confident200 Ų200104.4 Ų104.494%0.93551%0.507SS*.SBendtrans-60-18.9172.4-68-176158.700112.8P2P2-E4 PolarHBondContact O-N 3.21Å
5K86.6Confident84.9Confident128 Ų128103.2 Ų103.256%0.55750%0.5SS*.SBendtrans-73.4130.9178-57.5-178.6178.6-178.20112S3 Q9 R10S3-K5 PolarHBondContact O-N 3.35Å; S3-K5 VanDerWaalsContact O-N 3.11Å; S3-K5 WeakPolarHBondContact OG-CB 3.42Å; S3-K5 PolarHBondContact OG-N 2.97Å; S3-K5 VanDerWaalsContact OG-N 3.1Å; K5-Q9 VanDerWaalsContact CA-OE1 3.24Å; K5-Q9 HydrophobicContact CB-CB 3.97Å; K5-R10 HydrophobicContact CB-CG 3.87Å; K5-R10 PolarHBondContact O-NE 3.49Å; K5-R10 VanDerWaalsContact O-NE 3.16Å
6T93.1Very high85.8Confident58 Ų5898.1 Ų98.136%0.35647%0.473SS..  trans-64.1165.4175.868.30000111.9K8 Q9 R10 E36T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.23Å; T6-Q9 PolarHBondContact O-N 2.91Å; T6-Q9 VanDerWaalsContact O-N 3.1Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.32Å; T6-Q9 PolarHBondContact OG1-N 3.46Å; T6-R10 WeakPolarHBondContact O-CG 3.41Å; T6-R10 PolarHBondContact O-N 2.99Å; T6-R10 VanDerWaalsContact O-N 3.08Å; T6-R10 PolarHBondContact O-NE 2.73Å; T6-E36 WeakPolarHBondContact CA-OE2 3.38Å; T6-E36 WeakPolarHBondContact CB-OE2 3.47Å
7F95.3Very high86.5Confident5 Ų595.8 Ų95.82%0.02247%0.467CS..Hα-helixtrans-56.6-43.8176-178.3-114.9000112.2Q9 R10 R11 R16 I34 E36 K51 F108 Y110F7-Q9 VanDerWaalsContact C-N 3.26Å; F7-Q9 PolarHBondContact O-N 3.34Å; F7-R10 PolarHBondContact O-N 2.81Å; F7-R10 VanDerWaalsContact O-N 3.07Å; F7-R11 HydrophobicContact CD2-CG 4.27Å; F7-R11 HydrophobicContact CE2-CB 4.44Å; F7-R11 HydrophobicContact CE2-CG 3.71Å; F7-R11 HydrophobicContact CZ-CB 4.49Å; F7-R11 HydrophobicContact CZ-CG 4.12Å; F7-R11 PolarHBondContact O-N 3.08Å; F7-R11 VanDerWaalsContact O-N 3.08Å; F7-R16 HydrophobicContact CD1-CG 4.35Å; F7-R16 HydrophobicContact CE1-CB 4.49Å; F7-R16 HydrophobicContact CE1-CG 3.6Å; F7-R16 HydrophobicContact CZ-CG 3.97Å; F7-I34 HydrophobicContact CB-CG2 3.85Å; F7-I34 HydrophobicContact CD1-CD1 3.62Å; F7-I34 HydrophobicContact CD1-CG1 3.7Å; F7-I34 HydrophobicContact CD1-CG2 4.38Å; F7-I34 HydrophobicContact CD2-CD1 4.33Å; F7-I34 HydrophobicContact CE1-CD1 3.74Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.46Å; F7-I34 HydrophobicContact CG-CD1 3.92Å; F7-I34 HydrophobicContact CG-CG1 4.28Å; F7-I34 HydrophobicContact CG-CG2 4.3Å; F7-I34 HydrophobicContact CZ-CD1 4.18Å; F7-E36 PolarHBondContact N-OE1 3.29Å; F7-E36 PolarHBondContact N-OE2 3.1Å; F7-K51 HydrophobicContact CD2-CD 4.31Å; F7-K51 HydrophobicContact CE2-CD 3.76Å; F7-K51 HydrophobicContact CE2-CG 4.49Å; F7-K51 HydrophobicContact CZ-CD 4.24Å; F7-F108 AromaticContact CE1-CD2 3.89Å; F7-F108 HydrophobicContact CE1-CD2 3.89Å; F7-F108 AromaticContact CE1-CE2 3.65Å; F7-F108 HydrophobicContact CE1-CE2 3.65Å; F7-F108 HydrophobicContact CE1-CG 4.47Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 AromaticContact CZ-CE2 3.95Å; F7-F108 HydrophobicContact CZ-CE2 3.95Å; F7-F108 HydrophobicContact CZ-CZ 4.09Å; F7-Y110 HydrophobicContact CD1-CE1 4.06Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.42Å
8K95.6Very high87.2Confident81 Ų8194.7 Ų94.735%0.35246%0.46SS..Hα-helixtrans-64.4-25.7176.5-67.7-167.7176.9-175.30113.8T6 D104 Y110T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.23Å; K8-D104 IonicContact NZ-OD1 3.84Å; K8-D104 PolarHBondContact NZ-OD1 3.38Å; K8-D104 VanDerWaalsContact NZ-OD1 3.14Å; K8-D104 IonicContact NZ-OD2 2.81Å; K8-D104 PolarHBondContact NZ-OD2 3.45Å; K8-Y110 HydrophobicContact CD-CE1 4.27Å; K8-Y110 VanDerWaalsContact CE-CE2 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.79Å
9Q95.1Very high87.8Confident128 Ų12892.1 Ų92.160%0.59845%0.449SS*.Hα-helixtrans-82.6-22.5174.1-72.7174.1-31.400113K5 T6 F7K5-Q9 VanDerWaalsContact CA-OE1 3.24Å; K5-Q9 HydrophobicContact CB-CB 3.97Å; T6-Q9 PolarHBondContact O-N 2.91Å; T6-Q9 VanDerWaalsContact O-N 3.1Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.32Å; T6-Q9 PolarHBondContact OG1-N 3.46Å; F7-Q9 VanDerWaalsContact C-N 3.26Å; F7-Q9 PolarHBondContact O-N 3.34Å
10R94.7Very high88.3Confident111 Ų11188 Ų8842%0.41943%0.43SS..Hα-helixtrans-90.5-18.1-179.5-69.7-178.1-70.4160.7-4113.2K5 T6 F7 E36 T50K5-R10 HydrophobicContact CB-CG 3.87Å; K5-R10 PolarHBondContact O-NE 3.49Å; K5-R10 VanDerWaalsContact O-NE 3.16Å; T6-R10 WeakPolarHBondContact O-CG 3.41Å; T6-R10 PolarHBondContact O-N 2.99Å; T6-R10 VanDerWaalsContact O-N 3.08Å; T6-R10 PolarHBondContact O-NE 2.73Å; F7-R10 PolarHBondContact O-N 2.81Å; F7-R10 VanDerWaalsContact O-N 3.07Å; R10-E36 IonicContact NH2-OE1 3.21Å; R10-E36 PolarHBondContact NH2-OE1 3.39Å; R10-T50 PolarHBondContact NH2-OG1 3.48Å
11R95.8Very high88.8Confident103 Ų10389 Ų8939%0.38943%0.429SS..SBendtrans-135.5135.1-175.9-66.6-67.7179.6142.5-5.8110.6F7 R16F7-R11 HydrophobicContact CD2-CG 4.27Å; F7-R11 HydrophobicContact CE2-CB 4.44Å; F7-R11 HydrophobicContact CE2-CG 3.71Å; F7-R11 HydrophobicContact CZ-CB 4.49Å; F7-R11 HydrophobicContact CZ-CG 4.12Å; F7-R11 PolarHBondContact O-N 3.08Å; F7-R11 VanDerWaalsContact O-N 3.08Å; R11-R16 HydrophobicContact CB-CG 3.75Å; R11-R16 PolarHBondContact O-NE 3.47Å
12T98.2Very high91.6Very high69 Ų6981.3 Ų81.342%0.42339%0.392SS..  trans-65.4167.217579.20000110.6E14 Q15 R16T12-E14 VanDerWaalsContact CB-OE2 3.32Å; T12-E14 WeakPolarHBondContact CB-OE2 3.32Å; T12-E14 PolarHBondContact OG1-OE2 3.47Å; T12-Q15 VanDerWaalsContact N-OE1 3.12Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.42Å; T12-Q15 PolarHBondContact OG1-N 3.01Å; T12-R16 WeakPolarHBondContact O-CG 3.35Å; T12-R16 PolarHBondContact O-N 2.89Å; T12-R16 PolarHBondContact O-NE 3.46Å
13F98.3Very high93.7Very high76 Ų7679.3 Ų79.333%0.33338%0.376SS..Hα-helixtrans-62.1-45.2178178.7-97.6000111.9Q15 R16 V17 Q105 D106F13-Q15 VanDerWaalsContact C-N 3.32Å; F13-Q15 PolarHBondContact O-N 3.38Å; F13-R16 VanDerWaalsContact CA-NH2 3.28Å; F13-R16 WeakPolarHBondContact O-CB 3.34Å; F13-R16 PolarHBondContact O-N 3.43Å; F13-V17 HydrophobicContact CD1-CG2 4.07Å; F13-V17 HydrophobicContact CE1-CG2 3.61Å; F13-V17 HydrophobicContact CE2-CG2 4.27Å; F13-V17 HydrophobicContact CZ-CG2 3.72Å; F13-V17 WeakPolarHBondContact O-CG2 3.31Å; F13-V17 PolarHBondContact O-N 3.08Å; F13-Q105 HydrophobicContact CE2-CB 4.02Å; F13-Q105 HydrophobicContact CZ-CB 4.24Å; F13-D106 HydrophobicContact CD2-CB 4.09Å; F13-D106 HydrophobicContact CE2-CB 3.83Å
14E98.6Very high95.5Very high128 Ų12881.1 Ų81.160%0.59837%0.373SS*.Hα-helixtrans-62.5-41.2-178.3-55.969.5-148.300110.9T12 R16 V17 E18T12-E14 VanDerWaalsContact CB-OE2 3.32Å; T12-E14 WeakPolarHBondContact CB-OE2 3.32Å; T12-E14 PolarHBondContact OG1-OE2 3.47Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.35Å; E14-V17 PolarHBondContact O-N 3.46Å; E14-E18 WeakPolarHBondContact O-CB 3.47Å; E14-E18 PolarHBondContact O-N 2.95Å
15Q98.4Very high96.7Very high86 Ų8677.4 Ų77.440%0.40236%0.356SS..Hα-helixtrans-62.9-39.2174.8-71.7177.3-24.200112.1T12 F13 D19T12-Q15 VanDerWaalsContact N-OE1 3.12Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.42Å; T12-Q15 PolarHBondContact OG1-N 3.01Å; F13-Q15 VanDerWaalsContact C-N 3.32Å; F13-Q15 PolarHBondContact O-N 3.38Å; Q15-D19 VanDerWaalsContact O-CB 3.31Å; Q15-D19 WeakPolarHBondContact O-CB 3.32Å; Q15-D19 PolarHBondContact O-N 3.13Å
16R98.6Very high97.2Very high21 Ų2177.4 Ų77.48%0.07936%0.358CS..Hα-helixtrans-69.3-42.7179.2-69.9179.2-74.1120.8-3.6111.5F7 R11 T12 F13 E14 E18 D19 V20 D104 D106 F108 Y110F7-R16 HydrophobicContact CD1-CG 4.35Å; F7-R16 HydrophobicContact CE1-CB 4.49Å; F7-R16 HydrophobicContact CE1-CG 3.6Å; F7-R16 HydrophobicContact CZ-CG 3.97Å; R11-R16 HydrophobicContact CB-CG 3.75Å; R11-R16 PolarHBondContact O-NE 3.47Å; T12-R16 WeakPolarHBondContact O-CG 3.35Å; T12-R16 PolarHBondContact O-N 2.89Å; T12-R16 PolarHBondContact O-NE 3.46Å; F13-R16 VanDerWaalsContact CA-NH2 3.28Å; F13-R16 WeakPolarHBondContact O-CB 3.34Å; F13-R16 PolarHBondContact O-N 3.43Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.35Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 3.23Å; R16-D19 PolarHBondContact O-N 3Å; R16-V20 WeakPolarHBondContact O-CG2 3.34Å; R16-V20 PolarHBondContact O-N 3.45Å; R16-D104 IonicContact NH1-OD1 3.59Å; R16-D106 HydrophobicContact CB-CB 3.85Å; R16-D106 WeakPolarHBondContact CB-OD2 3.5Å; R16-D106 WeakPolarHBondContact CD-OD2 3.21Å; R16-D106 IonicContact CZ-OD2 3.5Å; R16-D106 IonicContact NE-OD2 3.23Å; R16-D106 VanDerWaalsContact NH1-CG 3.27Å; R16-D106 IonicContact NH1-OD2 3.14Å; R16-D106 PolarHBondContact NH1-OD2 2.69Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.21Å; R16-Y110 WeakPolarHBondContact CD-OH 3.19Å
17V98.6Very high97.5Very high60 Ų6077.9 Ų77.936%0.36436%0.356SS..Hα-helixtrans-58.4-47.4174.2171.60000110.9F13 E14 V20 R21 D106F13-V17 HydrophobicContact CD1-CG2 4.07Å; F13-V17 HydrophobicContact CE1-CG2 3.61Å; F13-V17 HydrophobicContact CE2-CG2 4.27Å; F13-V17 HydrophobicContact CZ-CG2 3.72Å; F13-V17 WeakPolarHBondContact O-CG2 3.31Å; F13-V17 PolarHBondContact O-N 3.08Å; E14-V17 PolarHBondContact O-N 3.46Å; V17-V20 PolarHBondContact O-N 3.14Å; V17-R21 PolarHBondContact O-N 2.86Å; V17-D106 HydrophobicContact CG2-CB 4.18Å
18E98.5Very high97.5Very high75 Ų7581.6 Ų81.635%0.3538%0.38SS..Hα-helixtrans-66.6-41.4179.2-178.660.6-174.100112.1E14 R16 V20 R21 L22E14-E18 WeakPolarHBondContact O-CB 3.47Å; E14-E18 PolarHBondContact O-N 2.95Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 3.23Å; E18-V20 VanDerWaalsContact C-N 3.28Å; E18-V20 PolarHBondContact O-N 3.39Å; E18-R21 PolarHBondContact O-N 3.19Å; E18-R21 IonicContact OE1-CZ 2.73Å; E18-R21 IonicContact OE1-NE 3.56Å; E18-R21 IonicContact OE1-NH2 3.81Å; E18-R21 PolarHBondContact OE1-NH2 3.06Å; E18-R21 IonicContact OE2-CZ 3.96Å; E18-R21 IonicContact OE2-NE 2.63Å; E18-R21 PolarHBondContact OE2-NE 3.3Å; E18-R21 IonicContact OE2-NH2 3.51Å; E18-L22 HydrophobicContact CG-CD1 4.11Å; E18-L22 HydrophobicContact CG-CG 4.44Å; E18-L22 WeakPolarHBondContact O-CG 3.46Å; E18-L22 PolarHBondContact O-N 2.96Å
19D98.1Very high97.6Very high45 Ų4583 Ų8324%0.24139%0.392CS..Hα-helixtrans-56.3-43.3174.1-79.6-9.3000110.9Q15 R16 I23 F108Q15-D19 VanDerWaalsContact O-CB 3.31Å; Q15-D19 WeakPolarHBondContact O-CB 3.32Å; Q15-D19 PolarHBondContact O-N 3.13Å; R16-D19 PolarHBondContact O-N 3Å; D19-I23 WeakPolarHBondContact O-CB 3.4Å; D19-I23 VanDerWaalsContact O-CG2 3.32Å; D19-I23 WeakPolarHBondContact O-CG2 3.41Å; D19-I23 PolarHBondContact O-N 2.96Å; D19-F108 HydrophobicContact CB-CE2 4.25Å; D19-F108 HydrophobicContact CB-CZ 4.21Å
20V98.4Very high97.7Very high11 Ų1180.7 Ų80.77%0.06738%0.38CS..Hα-helixtrans-66.3-45.5177.1172.70000111.4R16 V17 E18 L22 I23 R24 P32 D106 F108R16-V20 WeakPolarHBondContact O-CG2 3.34Å; R16-V20 PolarHBondContact O-N 3.45Å; V17-V20 PolarHBondContact O-N 3.14Å; E18-V20 VanDerWaalsContact C-N 3.28Å; E18-V20 PolarHBondContact O-N 3.39Å; V20-L22 PolarHBondContact O-N 3.16Å; V20-I23 PolarHBondContact O-N 3.3Å; V20-R24 HydrophobicContact CG1-CG 4.09Å; V20-R24 WeakPolarHBondContact O-CB 3.37Å; V20-R24 WeakPolarHBondContact O-CG 3.36Å; V20-R24 PolarHBondContact O-N 3.09Å; V20-P32 HydrophobicContact CG1-CG 4.26Å; V20-P32 HydrophobicContact CG2-CG 4.39Å; V20-D106 WeakPolarHBondContact CG2-O 3.25Å; V20-F108 HydrophobicContact CG2-CD1 4.22Å; V20-F108 HydrophobicContact CG2-CD2 3.31Å; V20-F108 HydrophobicContact CG2-CE1 4.2Å; V20-F108 HydrophobicContact CG2-CE2 3.31Å; V20-F108 HydrophobicContact CG2-CG 3.79Å; V20-F108 HydrophobicContact CG2-CZ 3.76Å
21R98.1Very high97.9Very high110 Ų11075.9 Ų75.942%0.41536%0.362SS..Hα-helixtrans-55.3-54.1178.8-171.9-172.370.880.2-3.7110.5V17 E18 I23 R24 E25V17-R21 PolarHBondContact O-N 2.86Å; E18-R21 PolarHBondContact O-N 3.19Å; E18-R21 IonicContact OE1-CZ 2.73Å; E18-R21 IonicContact OE1-NE 3.56Å; E18-R21 IonicContact OE1-NH2 3.81Å; E18-R21 PolarHBondContact OE1-NH2 3.06Å; E18-R21 IonicContact OE2-CZ 3.96Å; E18-R21 IonicContact OE2-NE 2.63Å; E18-R21 PolarHBondContact OE2-NE 3.3Å; E18-R21 IonicContact OE2-NH2 3.51Å; R21-I23 PolarHBondContact O-N 3.37Å; R21-R24 PolarHBondContact O-N 3.2Å; R21-E25 IonicContact CZ-OE1 3.52Å; R21-E25 VanDerWaalsContact NH1-CD 3.34Å; R21-E25 IonicContact NH1-OE1 2.69Å; R21-E25 PolarHBondContact NH1-OE1 3.42Å; R21-E25 IonicContact NH1-OE2 2.62Å; R21-E25 PolarHBondContact NH1-OE2 2.53Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 3.32Å; R21-E25 VanDerWaalsContact O-N 3.08Å
22L98.2Very high98Very high64 Ų6471 Ų7134%0.33534%0.344SS..Hα-helixtrans-62.2-44.2-178.9-68.1175.3000112.1E18 V20 E25 Q26E18-L22 HydrophobicContact CG-CD1 4.11Å; E18-L22 HydrophobicContact CG-CG 4.44Å; E18-L22 WeakPolarHBondContact O-CG 3.46Å; E18-L22 PolarHBondContact O-N 2.96Å; V20-L22 PolarHBondContact O-N 3.16Å; L22-E25 PolarHBondContact O-N 3.07Å; L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 3.08Å; L22-Q26 VanDerWaalsContact O-N 3.13Å
23I97.8Very high98Very high41 Ų4167.7 Ų67.721%0.2132%0.323CS..Hα-helixtrans-73.8-30.5-175-154.760.9000112.6D19 V20 R21 Q26 H27 P32 L53D19-I23 WeakPolarHBondContact O-CB 3.4Å; D19-I23 VanDerWaalsContact O-CG2 3.32Å; D19-I23 WeakPolarHBondContact O-CG2 3.41Å; D19-I23 PolarHBondContact O-N 2.96Å; V20-I23 PolarHBondContact O-N 3.3Å; R21-I23 PolarHBondContact O-N 3.37Å; I23-Q26 PolarHBondContact O-N 2.62Å; I23-H27 WeakPolarHBondContact O-CB 3.45Å; I23-H27 PolarHBondContact O-N 3.1Å; I23-P32 HydrophobicContact CG2-CB 4.18Å; I23-L53 HydrophobicContact CD1-CD1 3.97Å; I23-L53 HydrophobicContact CG1-CD1 3.76Å; I23-L53 HydrophobicContact CG1-CD2 3.73Å; I23-L53 HydrophobicContact CG1-CG 4.29Å; I23-L53 HydrophobicContact CG2-CD2 4.33Å
24R96.9Very high98Very high104 Ų10464.1 Ų64.139%0.39231%0.308SS..Hα-helixtrans-75.9-31.4174.8-70.2-163.972.2-154.60.7112.6V20 R21 Q26 H27 P28 P32V20-R24 HydrophobicContact CG1-CG 4.09Å; V20-R24 WeakPolarHBondContact O-CB 3.37Å; V20-R24 WeakPolarHBondContact O-CG 3.36Å; V20-R24 PolarHBondContact O-N 3.09Å; R21-R24 PolarHBondContact O-N 3.2Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-H27 CarbonylContact O-C 3.53Å; R24-P28 VanDerWaalsContact O-CA 3.25Å; R24-P28 WeakPolarHBondContact O-CA 3.46Å; R24-P32 HydrophobicContact CG-CG 4.4Å
25E97.6Very high97.9Very high122 Ų12258 Ų5857%0.5728%0.279SS*.Hα-helixtrans-62.2-41.7168.7-77.2171.9-168.200111.2R21 L22R21-E25 IonicContact CZ-OE1 3.52Å; R21-E25 VanDerWaalsContact NH1-CD 3.34Å; R21-E25 IonicContact NH1-OE1 2.69Å; R21-E25 PolarHBondContact NH1-OE1 3.42Å; R21-E25 IonicContact NH1-OE2 2.62Å; R21-E25 PolarHBondContact NH1-OE2 2.53Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 3.32Å; R21-E25 VanDerWaalsContact O-N 3.08Å; L22-E25 PolarHBondContact O-N 3.07Å
26Q98.1Very high97.7Very high128 Ų12855.2 Ų55.260%0.59827%0.266SS*.Hα-helixtrans-76.3-31.9179.2-68.2174.125.800113.6L22 I23 R24L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 3.08Å; L22-Q26 VanDerWaalsContact O-N 3.13Å; I23-Q26 PolarHBondContact O-N 2.62Å; R24-Q26 VanDerWaalsContact C-N 3.33Å
27H97.9Very high97.5Very high68 Ų6858.5 Ų58.532%0.31528%0.279SS..  trans-135.471.3-174.3-57.7-51.8000111.2I23 R24 N29 K30 L53I23-H27 WeakPolarHBondContact O-CB 3.45Å; I23-H27 PolarHBondContact O-N 3.1Å; R24-H27 CarbonylContact O-C 3.53Å; H27-N29 VanDerWaalsContact C-N 3.27Å; H27-N29 PolarHBondContact O-N 2.8Å; H27-K30 HydrophobicContact CB-CB 4.02Å; H27-K30 HydrophobicContact CB-CD 4.13Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 2.79Å; H27-K30 VanDerWaalsContact O-N 3.09Å; H27-L53 VanDerWaalsContact CD2-CD1 3.45Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.45Å
28P96.8Very high97.2Very high83 Ų8359.5 Ų59.554%0.53928%0.277SS..THydrogen-bonded Turntrans-61.6-31.9-171.721.8-33.5000113.9R24 K30R24-P28 VanDerWaalsContact O-CA 3.25Å; R24-P28 WeakPolarHBondContact O-CA 3.46Å; P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 3.41Å
29N96.9Very high96.7Very high110 Ų11066.1 Ų66.159%0.58830%0.304SS*.THydrogen-bonded Turntrans-92.519.8-178.6-54-14.8000112.7H27 D56H27-N29 VanDerWaalsContact C-N 3.27Å; H27-N29 PolarHBondContact O-N 2.8Å; N29-D56 PolarHBondContact O-N 3.09Å; N29-D56 VanDerWaalsContact O-N 3.13Å
30K98.1Very high96.1Very high80 Ų8065.7 Ų65.735%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-125.8141178.4-61.3-166.4-178-179.50111.3H27 P28 L53 V54H27-K30 HydrophobicContact CB-CB 4.02Å; H27-K30 HydrophobicContact CB-CD 4.13Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 2.79Å; H27-K30 VanDerWaalsContact O-N 3.09Å; P28-K30 VanDerWaalsContact C-N 3.28Å; P28-K30 PolarHBondContact O-N 3.41Å; K30-L53 HydrophobicContact CB-CB 4.19Å; K30-L53 HydrophobicContact CB-CD2 4.45Å; K30-L53 HydrophobicContact CD-CB 3.79Å; K30-V54 CarbonylContact C-O 3.56Å; K30-V54 WeakPolarHBondContact CA-O 3.47Å
31I98.2Very high95.7Very high9 Ų965.2 Ų65.25%0.04631%0.308CS..EExtended strand (participates in β ladder)trans-95123.9177.8-55.2-50.2000109.3V33 L53 V54 I95 Y99I31-V33 HydrophobicContact CB-CG2 4.4Å; I31-V33 HydrophobicContact CG2-CG2 3.89Å; I31-V33 PolarHBondContact O-N 3.14Å; I31-L53 WeakPolarHBondContact O-CA 3.39Å; I31-V54 PolarHBondContact N-O 2.63Å; I31-V54 PolarHBondContact O-N 3.16Å; I31-I95 HydrophobicContact CB-CG2 4.45Å; I31-I95 HydrophobicContact CG1-CG2 3.96Å; I31-Y99 HydrophobicContact CD1-CD1 4.1Å; I31-Y99 HydrophobicContact CD1-CG 4.13Å; I31-Y99 HydrophobicContact CG2-CD2 3.33Å; I31-Y99 HydrophobicContact CG2-CE2 3.99Å; I31-Y99 HydrophobicContact CG2-CG 3.67Å
32P98.3Very high95.3Very high0 Ų068.6 Ų68.60%033%0.325CS..EExtended strand (participates in β ladder)trans-78.2115174.332.2-33.1000110.4V20 I23 R24 L53 Y99 F108 L109V20-P32 HydrophobicContact CG1-CG 4.26Å; V20-P32 HydrophobicContact CG2-CG 4.39Å; I23-P32 HydrophobicContact CG2-CB 4.18Å; R24-P32 HydrophobicContact CG-CG 4.4Å; P32-L53 HydrophobicContact CB-CD2 4.19Å; P32-Y99 HydrophobicContact CG-CE2 4.24Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.66Å; P32-F108 HydrophobicContact CG-CD1 4.39Å; P32-L109 PolarHBondContact O-N 2.96Å
33V97.8Very high94.9Very high0 Ų071.3 Ų71.30%034%0.336CS..EExtended strand (participates in β ladder)trans-122.4133.3-176.1-168.40000110.4I31 I35 F52 V54 I95 L109 M111I31-V33 HydrophobicContact CB-CG2 4.4Å; I31-V33 HydrophobicContact CG2-CG2 3.89Å; I31-V33 PolarHBondContact O-N 3.14Å; V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; V33-F52 HydrophobicContact CB-CB 4.41Å; V33-F52 PolarHBondContact N-O 3.45Å; V33-F52 PolarHBondContact O-N 2.88Å; V33-V54 HydrophobicContact CB-CG2 4.36Å; V33-V54 HydrophobicContact CG2-CB 4.4Å; V33-V54 HydrophobicContact CG2-CG2 3.8Å; V33-I95 HydrophobicContact CG2-CD1 3.78Å; V33-L109 CarbonylContact C-O 3.55Å; V33-L109 WeakPolarHBondContact CA-O 3.32Å; V33-L109 HydrophobicContact CG1-CB 4.38Å; V33-L109 HydrophobicContact CG1-CG 4.5Å; V33-L109 WeakPolarHBondContact CG1-O 3.37Å; V33-L109 HydrophobicContact CG2-CB 4.35Å; V33-L109 HydrophobicContact CG2-CD2 4.41Å; V33-M111 HydrophobicContact CG1-CE 4.07Å; V33-M111 HydrophobicContact CG1-CG 4.17Å; V33-M111 HydrophobicContact CG1-SD 4.08Å
34I97.8Very high94.7Very high1 Ų169.7 Ų69.71%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-103120170.2-56.1-61.4000108.3F7 E36 T50 K51 F108 L109 Y110 M111F7-I34 HydrophobicContact CB-CG2 3.85Å; F7-I34 HydrophobicContact CD1-CD1 3.62Å; F7-I34 HydrophobicContact CD1-CG1 3.7Å; F7-I34 HydrophobicContact CD1-CG2 4.38Å; F7-I34 HydrophobicContact CD2-CD1 4.33Å; F7-I34 HydrophobicContact CE1-CD1 3.74Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.46Å; F7-I34 HydrophobicContact CG-CD1 3.92Å; F7-I34 HydrophobicContact CG-CG1 4.28Å; F7-I34 HydrophobicContact CG-CG2 4.3Å; F7-I34 HydrophobicContact CZ-CD1 4.18Å; I34-E36 HydrophobicContact CG2-CG 3.95Å; I34-T50 CarbonylContact C-O 3.43Å; I34-T50 VanDerWaalsContact CA-O 3.31Å; I34-T50 WeakPolarHBondContact CA-O 3.43Å; I34-K51 HydrophobicContact CD1-CB 4.27Å; I34-K51 HydrophobicContact CD1-CD 4.24Å; I34-K51 HydrophobicContact CD1-CG 3.68Å; I34-F108 HydrophobicContact CD1-CD1 3.75Å; I34-F108 HydrophobicContact CD1-CE1 3.84Å; I34-F108 HydrophobicContact CD1-CG 4.33Å; I34-F108 HydrophobicContact CD1-CZ 4.48Å; I34-F108 HydrophobicContact CG1-CB 4.04Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.25Å; I34-F108 HydrophobicContact CG1-CG 3.88Å; I34-L109 PolarHBondContact N-O 2.84Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.82Å; I34-Y110 HydrophobicContact CB-CG 4.43Å; I34-Y110 HydrophobicContact CG1-CD1 4.22Å; I34-Y110 HydrophobicContact CG1-CE1 3.82Å; I34-Y110 HydrophobicContact CG2-CD1 3.91Å; I34-Y110 HydrophobicContact CG2-CE1 3.92Å; I34-M111 PolarHBondContact O-N 2.86Å
35I96.4Very high94.5Very high0 Ų067.5 Ų67.50%033%0.327CS..EExtended strand (participates in β ladder)trans-121.9112179.2-51.9177.6000108.4V33 L47 T50 F52 L63 I67 L81 M111 Y113V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; I35-L47 HydrophobicContact CB-CD1 4.49Å; I35-L47 HydrophobicContact CG2-CD1 4.03Å; I35-T50 PolarHBondContact N-O 3.13Å; I35-T50 WeakPolarHBondContact O-CA 3.46Å; I35-T50 WeakPolarHBondContact O-CB 3.23Å; I35-F52 HydrophobicContact CB-CD2 3.99Å; I35-F52 HydrophobicContact CB-CE2 3.81Å; I35-F52 HydrophobicContact CD1-CD2 3.82Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.3Å; I35-F52 HydrophobicContact CG1-CD2 3.85Å; I35-F52 HydrophobicContact CG1-CE2 4.15Å; I35-L63 HydrophobicContact CD1-CD1 4.29Å; I35-I67 HydrophobicContact CD1-CD1 3.6Å; I35-I67 HydrophobicContact CD1-CG1 4.04Å; I35-L81 HydrophobicContact CG2-CD1 3.94Å; I35-M111 WeakPolarHBondContact CA-O 3.47Å; I35-M111 HydrophobicContact CG1-CB 4.28Å; I35-Y113 HydrophobicContact CG2-CD1 3.97Å
36E95.5Very high94.3Very high28 Ų2865.8 Ų65.813%0.13132%0.321CS..EExtended strand (participates in β ladder)trans-121.4160.4-178.1-67.1-173.4140.600111.2T6 F7 R10 I34 T50 M111 V112 Y113T6-E36 WeakPolarHBondContact CA-OE2 3.38Å; T6-E36 WeakPolarHBondContact CB-OE2 3.47Å; F7-E36 PolarHBondContact N-OE1 3.29Å; F7-E36 PolarHBondContact N-OE2 3.1Å; R10-E36 IonicContact NH2-OE1 3.21Å; R10-E36 PolarHBondContact NH2-OE1 3.39Å; I34-E36 HydrophobicContact CG2-CG 3.95Å; E36-T50 HydrophobicContact CG-CG2 3.96Å; E36-M111 PolarHBondContact N-O 2.91Å; E36-V112 CarbonylContact O-C 3.53Å; E36-V112 WeakPolarHBondContact O-CA 3.34Å; E36-Y113 VanDerWaalsContact C-CE1 3.44Å; E36-Y113 WeakPolarHBondContact O-CD1 3.3Å; E36-Y113 WeakPolarHBondContact O-CE1 3.47Å; E36-Y113 PolarHBondContact O-N 3.48Å
37R94.1Very high94Very high90 Ų9060 Ų6034%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-72.7137174.5-163.5170.275.81750.3108.9E41 L44 Y113R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.75Å; R37-E41 VanDerWaalsContact CZ-O 3.25Å; R37-E41 PolarHBondContact NE-O 2.82Å; R37-E41 PolarHBondContact NH2-O 3.48Å; R37-L44 PolarHBondContact NH1-O 3.11Å; R37-Y113 HydrophobicContact CB-CE1 3.98Å; R37-Y113 HydrophobicContact CB-CE2 4.01Å; R37-Y113 WeakPolarHBondContact CB-OH 3.41Å; R37-Y113 HydrophobicContact CG-CD2 4.3Å; R37-Y113 HydrophobicContact CG-CE1 4.48Å; R37-Y113 HydrophobicContact CG-CE2 3.63Å
38Y91.9Very high93.6Very high81 Ų8162.2 Ų62.232%0.31831%0.308SS..  trans-58142.4172.8-176.8-104.7000110.9G40 E41 V112 Y113 A114 T118Y38-G40 VanDerWaalsContact C-N 3.26Å; Y38-G40 VanDerWaalsContact CD1-N 3.27Å; Y38-G40 PolarHBondContact O-N 3.22Å; Y38-E41 WeakPolarHBondContact O-CB 3.18Å; Y38-E41 PolarHBondContact O-N 3.21Å; Y38-V112 HydrophobicContact CD2-CG2 4.04Å; Y38-Y113 WeakPolarHBondContact CB-O 3.28Å; Y38-Y113 PolarHBondContact N-O 3.31Å; Y38-A114 HydrophobicContact CG-CB 4.39Å; Y38-T118 HydrophobicContact CD1-CG2 3.98Å; Y38-T118 HydrophobicContact CE1-CG2 4.32Å
39K87.5Confident93.4Very high213 Ų21364.1 Ų64.193%0.92631%0.308SS*.THydrogen-bonded Turntrans-60.6-33.6-172.9-174.8177.3177.5-175.90113.2
40G86.3Confident93.3Very high37 Ų3760.4 Ų60.438%0.38129%0.29SS..THydrogen-bonded Turntrans-85.2-7.4177.600000115Y38Y38-G40 VanDerWaalsContact C-N 3.26Å; Y38-G40 VanDerWaalsContact CD1-N 3.27Å; Y38-G40 PolarHBondContact O-N 3.22Å
41E90.6Very high93.2Very high1 Ų162 Ų621%0.00530%0.297CS..  trans-78.2124.1-175.7174.753.3-12300111.2R37 Y38 Q43 L44 S115 T118R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.75Å; R37-E41 VanDerWaalsContact CZ-O 3.25Å; R37-E41 PolarHBondContact NE-O 2.82Å; R37-E41 PolarHBondContact NH2-O 3.48Å; Y38-E41 WeakPolarHBondContact O-CB 3.18Å; Y38-E41 PolarHBondContact O-N 3.21Å; E41-Q43 WeakPolarHBondContact OE1-CA 3.36Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.27Å; E41-Q43 PolarHBondContact OE1-N 2.98Å; E41-L44 HydrophobicContact CG-CB 3.96Å; E41-L44 HydrophobicContact CG-CD1 4.38Å; E41-L44 HydrophobicContact CG-CG 4.25Å; E41-L44 PolarHBondContact OE1-N 2.85Å; E41-S115 WeakPolarHBondContact OE2-CB 3.34Å; E41-S115 PolarHBondContact OE2-N 2.9Å; E41-S115 PolarHBondContact OE2-OG 2.83Å; E41-T118 HydrophobicContact CB-CG2 4.37Å; E41-T118 WeakPolarHBondContact OE2-CB 3.46Å; E41-T118 PolarHBondContact OE2-OG1 2.94Å
42K88.9Confident93.2Very high181 Ų18162.9 Ų62.979%0.78730%0.3SS*.  trans-124.6-14.9-174.8-65.5-176.8-178.2179.30114.2
43Q90Very high93.1Very high121 Ų12165.7 Ų65.757%0.56532%0.315SS*.SBendtrans-92.2-40.3-175.3-55-173.44.300111.8E41 E117E41-Q43 WeakPolarHBondContact OE1-CA 3.36Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.27Å; E41-Q43 PolarHBondContact OE1-N 2.98Å; Q43-E117 PolarHBondContact OE1-OE2 2.8Å
44L92.9Very high93.1Very high6 Ų666.1 Ų66.13%0.03132%0.317CS..SBendtrans-77.7142.8-177.8-60.2-178.6000112R37 E41 L73 F79 Y113 A114R37-L44 PolarHBondContact NH1-O 3.11Å; E41-L44 HydrophobicContact CG-CB 3.96Å; E41-L44 HydrophobicContact CG-CD1 4.38Å; E41-L44 HydrophobicContact CG-CG 4.25Å; E41-L44 PolarHBondContact OE1-N 2.85Å; L44-L73 HydrophobicContact CD2-CD1 4.23Å; L44-L73 HydrophobicContact CD2-CD2 3.88Å; L44-F79 HydrophobicContact CD1-CB 3.63Å; L44-Y113 HydrophobicContact CB-CD2 4.38Å; L44-Y113 HydrophobicContact CB-CE2 4.18Å; L44-Y113 HydrophobicContact CD1-CD2 3.93Å; L44-A114 VanDerWaalsContact CD1-C 3.48Å
45P93.6Very high93.2Very high58 Ų5868.2 Ų68.238%0.37733%0.331SS..PPolyproline II helixtrans-65.3163.4176.827.1-31.7000111.4L71 L73 Y113P45-L71 HydrophobicContact CG-CB 4.25Å; P45-L71 HydrophobicContact CG-CD2 4.04Å; P45-L71 WeakPolarHBondContact CG-O 3.31Å; P45-L71 VanDerWaalsContact O-CD2 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.49Å; P45-L73 HydrophobicContact CG-CD2 4.28Å; P45-Y113 WeakPolarHBondContact O-CE2 3.33Å; P45-Y113 PolarHBondContact O-OH 2.81Å; P45-Y113 VanDerWaalsContact O-OH 3.09Å
46I92.1Very high93.1Very high86 Ų8670.7 Ų70.744%0.44134%0.344SS..PPolyproline II helixtrans-90.2130.9177.4-57.6174000109.2P2 Y113P2-I46 HydrophobicContact CB-CG2 4.13Å; P2-I46 HydrophobicContact CG-CB 4.29Å; P2-I46 HydrophobicContact CG-CD1 3.9Å; P2-I46 HydrophobicContact CG-CG2 3.69Å; I46-Y113 WeakPolarHBondContact CA-OH 3.41Å
47L93.3Very high93Very high7 Ų775.9 Ų75.94%0.03737%0.368CS..PPolyproline II helixtrans-59.3142.2171-71.8172.5000112.1I35 K49 F52 I67 R70 L71 Y113I35-L47 HydrophobicContact CB-CD1 4.49Å; I35-L47 HydrophobicContact CG2-CD1 4.03Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.47Å; L47-K49 PolarHBondContact O-N 3.5Å; L47-F52 HydrophobicContact CD1-CE2 4.32Å; L47-F52 HydrophobicContact CD1-CZ 4.15Å; L47-I67 HydrophobicContact CD1-CG2 4.49Å; L47-R70 HydrophobicContact CD2-CB 3.6Å; L47-L71 HydrophobicContact CD2-CD2 3.66Å; L47-L71 HydrophobicContact CD2-CG 3.82Å; L47-L71 HydrophobicContact CG-CD2 3.79Å; L47-L71 HydrophobicContact CG-CG 4.34Å; L47-Y113 HydrophobicContact CD1-CD1 4.2Å; L47-Y113 HydrophobicContact CD1-CE1 3.64Å; L47-Y113 HydrophobicContact CG-CE1 3.92Å; L47-Y113 PolarHBondContact N-OH 3.02Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å
48D89.5Confident93.1Very high114 Ų11472.2 Ų72.261%0.6136%0.356SS*.SBendtrans-63.3-33.5173.766.9-41.7000112.6R70D48-R70 IonicContact OD1-NH1 3.13Å; D48-R70 PolarHBondContact OD1-NH1 3.43Å; D48-R70 VanDerWaalsContact OD1-NH1 3.13Å; D48-R70 IonicContact OD2-NH1 3.45Å; D48-R70 PolarHBondContact OD2-NH1 2.75Å
49K92.3Very high93.3Very high123 Ų12370.3 Ų70.354%0.53535%0.351SS..  trans-132.5141.6-178.6-66178.8-174.8-176.90110L47 F52L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.47Å; L47-K49 PolarHBondContact O-N 3.5Å; K49-F52 HydrophobicContact CB-CZ 4.49Å; K49-F52 VanDerWaalsContact O-CE2 3.22Å; K49-F52 WeakPolarHBondContact O-CE2 3.32Å; K49-F52 WeakPolarHBondContact O-CZ 3.36Å
50T94.4Very high93.5Very high33 Ų3360.2 Ų60.220%0.20231%0.307CS..  trans-109.2-12.5177.364.60000113.1R10 I34 I35 E36R10-T50 PolarHBondContact NH2-OG1 3.48Å; I34-T50 CarbonylContact C-O 3.43Å; I34-T50 VanDerWaalsContact CA-O 3.31Å; I34-T50 WeakPolarHBondContact CA-O 3.43Å; I35-T50 PolarHBondContact N-O 3.13Å; I35-T50 WeakPolarHBondContact O-CA 3.46Å; I35-T50 WeakPolarHBondContact O-CB 3.23Å; E36-T50 HydrophobicContact CG-CG2 3.96Å
51K96.1Very high93.8Very high113 Ų11360.2 Ų60.249%0.49130%0.302SS..EExtended strand (participates in β ladder)trans-104.9126.9178.9-56.2-165-67.8173.70110.1F7 I34F7-K51 HydrophobicContact CD2-CD 4.31Å; F7-K51 HydrophobicContact CE2-CD 3.76Å; F7-K51 HydrophobicContact CE2-CG 4.49Å; F7-K51 HydrophobicContact CZ-CD 4.24Å; I34-K51 HydrophobicContact CD1-CB 4.27Å; I34-K51 HydrophobicContact CD1-CD 4.24Å; I34-K51 HydrophobicContact CD1-CG 3.68Å
52F97.5Very high94.1Very high27 Ų2764 Ų6412%0.11832%0.319CS..EExtended strand (participates in β ladder)trans-129.4146-176.7-62.7-90.6000110.6V33 I35 L47 K49 V54 I67V33-F52 HydrophobicContact CB-CB 4.41Å; V33-F52 PolarHBondContact N-O 3.45Å; V33-F52 PolarHBondContact O-N 2.88Å; I35-F52 HydrophobicContact CB-CD2 3.99Å; I35-F52 HydrophobicContact CB-CE2 3.81Å; I35-F52 HydrophobicContact CD1-CD2 3.82Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.3Å; I35-F52 HydrophobicContact CG1-CD2 3.85Å; I35-F52 HydrophobicContact CG1-CE2 4.15Å; L47-F52 HydrophobicContact CD1-CE2 4.32Å; L47-F52 HydrophobicContact CD1-CZ 4.15Å; K49-F52 HydrophobicContact CB-CZ 4.49Å; K49-F52 VanDerWaalsContact O-CE2 3.22Å; K49-F52 WeakPolarHBondContact O-CE2 3.32Å; K49-F52 WeakPolarHBondContact O-CZ 3.36Å; F52-V54 HydrophobicContact CB-CG2 4.18Å; F52-I67 HydrophobicContact CE1-CD1 4.35Å; F52-I67 HydrophobicContact CZ-CD1 4.23Å
53L97.8Very high94.3Very high59 Ų5955.5 Ų55.531%0.30928%0.282SS..EExtended strand (participates in β ladder)trans-115.4106.2166.2-70.7175.7000107.6I23 H27 K30 I31 P32I23-L53 HydrophobicContact CD1-CD1 3.97Å; I23-L53 HydrophobicContact CG1-CD1 3.76Å; I23-L53 HydrophobicContact CG1-CD2 3.73Å; I23-L53 HydrophobicContact CG1-CG 4.29Å; I23-L53 HydrophobicContact CG2-CD2 4.33Å; H27-L53 VanDerWaalsContact CD2-CD1 3.45Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.45Å; K30-L53 HydrophobicContact CB-CB 4.19Å; K30-L53 HydrophobicContact CB-CD2 4.45Å; K30-L53 HydrophobicContact CD-CB 3.79Å; I31-L53 WeakPolarHBondContact O-CA 3.39Å; P32-L53 HydrophobicContact CB-CD2 4.19Å
54V97.7Very high94.5Very high9 Ų951.9 Ų51.96%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-101.7129.2-174.4-171.50000108.5K30 I31 V33 F52 D56 V58 L63 I95K30-V54 CarbonylContact C-O 3.56Å; K30-V54 WeakPolarHBondContact CA-O 3.47Å; I31-V54 PolarHBondContact N-O 2.63Å; I31-V54 PolarHBondContact O-N 3.16Å; V33-V54 HydrophobicContact CB-CG2 4.36Å; V33-V54 HydrophobicContact CG2-CB 4.4Å; V33-V54 HydrophobicContact CG2-CG2 3.8Å; F52-V54 HydrophobicContact CB-CG2 4.18Å; V54-D56 PolarHBondContact O-N 2.85Å; V54-V58 HydrophobicContact CG1-CB 3.81Å; V54-V58 HydrophobicContact CG1-CG1 3.84Å; V54-V58 HydrophobicContact CG1-CG2 4.3Å; V54-L63 HydrophobicContact CG1-CD1 4.49Å; V54-L63 HydrophobicContact CG2-CD1 4.07Å; V54-I95 HydrophobicContact CB-CD1 3.82Å; V54-I95 HydrophobicContact CG1-CD1 3.76Å; V54-I95 HydrophobicContact CG1-CG2 4.08Å; V54-I95 HydrophobicContact CG2-CD1 4Å
55P98.1Very high94.5Very high46 Ų4657.4 Ų57.430%0.29929%0.29SS..EExtended strand (participates in β ladder)trans-56.4140.3173.1-19.929.9000111.5H57 V58 I95P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.39Å; P55-H57 PolarHBondContact O-N 3.43Å; P55-V58 HydrophobicContact CB-CG2 3.99Å; P55-V58 HydrophobicContact CG-CG2 4.06Å; P55-V58 WeakPolarHBondContact O-CB 3.12Å; P55-V58 PolarHBondContact O-N 2.87Å; P55-V58 VanDerWaalsContact O-N 3.11Å; P55-I95 WeakPolarHBondContact O-CG2 3.44Å
56D96.3Very high94.6Very high51 Ų5157.2 Ų57.227%0.27329%0.286SS..THydrogen-bonded Turntrans-55.1-36-176.551.413000115.6N29 V54 V58 S96N29-D56 PolarHBondContact O-N 3.09Å; N29-D56 VanDerWaalsContact O-N 3.13Å; V54-D56 PolarHBondContact O-N 2.85Å; D56-V58 VanDerWaalsContact C-N 3.31Å; D56-V58 PolarHBondContact O-N 3.43Å; D56-S96 PolarHBondContact O-N 2.73Å; D56-S96 PolarHBondContact O-OG 3.11Å
57H93.2Very high94.8Very high138 Ų13853.1 Ų53.164%0.63927%0.265SS*.THydrogen-bonded Turntrans-78.9-9.418062.2-83.8000114.2P55 N59P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.39Å; P55-H57 PolarHBondContact O-N 3.43Å; H57-N59 PolarHBondContact O-N 3.38Å
58V96.3Very high94.8Very high13 Ų1355.9 Ų55.98%0.07928%0.275CS..  trans-69.2129.3177.8169.80000108.9V54 P55 D56 E62 L63 I95V54-V58 HydrophobicContact CG1-CB 3.81Å; V54-V58 HydrophobicContact CG1-CG1 3.84Å; V54-V58 HydrophobicContact CG1-CG2 4.3Å; P55-V58 HydrophobicContact CB-CG2 3.99Å; P55-V58 HydrophobicContact CG-CG2 4.06Å; P55-V58 WeakPolarHBondContact O-CB 3.12Å; P55-V58 PolarHBondContact O-N 2.87Å; P55-V58 VanDerWaalsContact O-N 3.11Å; D56-V58 VanDerWaalsContact C-N 3.31Å; D56-V58 PolarHBondContact O-N 3.43Å; V58-E62 WeakPolarHBondContact CA-OE2 3.22Å; V58-E62 HydrophobicContact CG1-CB 3.81Å; V58-L63 HydrophobicContact CG1-CB 4.5Å; V58-I95 WeakPolarHBondContact O-CB 3.34Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.45Å; V58-I95 PolarHBondContact O-N 3.21Å
59N94.7Very high95Very high40 Ų4058.9 Ų58.921%0.21428%0.277CS..BIsolated β-bridgetrans-88.6168175.665.852000112.2H57 S61 E62 L63 A93H57-N59 PolarHBondContact O-N 3.38Å; N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.4Å; N59-S61 WeakPolarHBondContact OD1-CA 3.37Å; N59-S61 WeakPolarHBondContact OD1-CB 3.15Å; N59-S61 PolarHBondContact OD1-N 3.41Å; N59-S61 PolarHBondContact OD1-OG 3.07Å; N59-E62 PolarHBondContact N-OE2 3.28Å; N59-E62 PolarHBondContact O-N 3.33Å; N59-E62 WeakPolarHBondContact OD1-CG 3.35Å; N59-E62 PolarHBondContact OD1-N 2.92Å; N59-L63 PolarHBondContact O-N 3.4Å; N59-A93 VanDerWaalsContact CA-O 3.29Å; N59-A93 WeakPolarHBondContact CA-O 3.41Å; N59-A93 WeakPolarHBondContact CB-O 3.41Å
60M92.3Very high95.2Very high2 Ų258 Ų581%0.0127%0.271CS..Hα-helixtrans-61.3-33.9-178.9-71.7-56.4-58.800113.4E62 L63 I64 L81 V89 A93 L98 M111M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 3.45Å; M60-L63 HydrophobicContact CE-CD2 4.06Å; M60-L63 PolarHBondContact O-N 3.27Å; M60-L63 HydrophobicContact SD-CD2 4.08Å; M60-I64 WeakPolarHBondContact O-CB 3.16Å; M60-I64 WeakPolarHBondContact O-CD1 3.39Å; M60-I64 WeakPolarHBondContact O-CG1 3.19Å; M60-I64 PolarHBondContact O-N 3.42Å; M60-L81 HydrophobicContact CE-CD2 3.9Å; M60-V89 HydrophobicContact CB-CG2 4.46Å; M60-V89 HydrophobicContact CE-CG2 3.79Å; M60-V89 HydrophobicContact CG-CG2 3.77Å; M60-V89 HydrophobicContact SD-CG2 4.24Å; M60-A93 PolarHBondContact N-O 3.13Å; M60-L98 HydrophobicContact CE-CD2 4.27Å; M60-L98 HydrophobicContact CG-CD2 4.25Å; M60-L98 HydrophobicContact SD-CD2 3.5Å; M60-L98 WeakPolarHBondContact SD-CD2 3.21Å; M60-M111 HydrophobicContact CE-CE 4.06Å; M60-M111 HydrophobicContact CE-SD 4.17Å; M60-M111 HydrophobicContact SD-CE 4.1Å
61S92.8Very high95.2Very high37 Ų3756.8 Ų56.826%0.25926%0.263SS..Hα-helixtrans-63.9-38.7177.184.60000112.3N59 K65 V91N59-S61 VanDerWaalsContact C-N 3.28Å; N59-S61 PolarHBondContact O-N 3.4Å; N59-S61 WeakPolarHBondContact OD1-CA 3.37Å; N59-S61 WeakPolarHBondContact OD1-CB 3.15Å; N59-S61 PolarHBondContact OD1-N 3.41Å; N59-S61 PolarHBondContact OD1-OG 3.07Å; S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.36Å; S61-K65 PolarHBondContact O-N 3.08Å; S61-K65 VanDerWaalsContact O-N 3.1Å; S61-V91 WeakPolarHBondContact CB-O 3.34Å; S61-V91 PolarHBondContact N-O 3.05Å
62E95.5Very high95.1Very high80 Ų8059.6 Ų59.637%0.37428%0.278SS..Hα-helixtrans-71.2-42176.4-71.3176.1147.900111.1V58 N59 M60 I64 K65 I66V58-E62 WeakPolarHBondContact CA-OE2 3.22Å; V58-E62 HydrophobicContact CG1-CB 3.81Å; N59-E62 PolarHBondContact N-OE2 3.28Å; N59-E62 PolarHBondContact O-N 3.33Å; N59-E62 WeakPolarHBondContact OD1-CG 3.35Å; N59-E62 PolarHBondContact OD1-N 2.92Å; M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 3.45Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 2.92Å; E62-K65 WeakPolarHBondContact O-CB 3.29Å; E62-K65 PolarHBondContact O-N 3.48Å; E62-I66 WeakPolarHBondContact O-CG1 3.5Å; E62-I66 PolarHBondContact O-N 3.11Å
63L95Very high94.9Very high3 Ų359.2 Ų59.22%0.01628%0.277CS..Hα-helixtrans-58.8-46.6173.8-177.762.3000111.2I35 V54 V58 N59 M60 K65 I66 I67 L81 I95 M111I35-L63 HydrophobicContact CD1-CD1 4.29Å; V54-L63 HydrophobicContact CG1-CD1 4.49Å; V54-L63 HydrophobicContact CG2-CD1 4.07Å; V58-L63 HydrophobicContact CG1-CB 4.5Å; N59-L63 PolarHBondContact O-N 3.4Å; M60-L63 HydrophobicContact CE-CD2 4.06Å; M60-L63 PolarHBondContact O-N 3.27Å; M60-L63 HydrophobicContact SD-CD2 4.08Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.92Å; L63-I66 WeakPolarHBondContact O-CB 3.49Å; L63-I66 PolarHBondContact O-N 3.14Å; L63-I67 HydrophobicContact CD1-CG1 4.28Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.26Å; L63-L81 HydrophobicContact CD2-CD2 3.93Å; L63-L81 HydrophobicContact CG-CD2 4.18Å; L63-I95 HydrophobicContact CD2-CD1 3.87Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.84Å
64I93.3Very high94.5Very high45 Ų4561.3 Ų61.323%0.23129%0.288CS..Hα-helixtrans-57.5-43.6176.1-71.6163.6000110.7M60 E62 I66 I67 R68 F79 L81 V91M60-I64 WeakPolarHBondContact O-CB 3.16Å; M60-I64 WeakPolarHBondContact O-CD1 3.39Å; M60-I64 WeakPolarHBondContact O-CG1 3.19Å; M60-I64 PolarHBondContact O-N 3.42Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 2.92Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 2.83Å; I64-I67 PolarHBondContact O-N 3.28Å; I64-R68 VanDerWaalsContact O-CB 3.32Å; I64-R68 WeakPolarHBondContact O-CB 3.29Å; I64-R68 PolarHBondContact O-N 3.16Å; I64-F79 HydrophobicContact CG2-CE1 4.11Å; I64-F79 HydrophobicContact CG2-CZ 3.88Å; I64-L81 HydrophobicContact CG1-CB 4.41Å; I64-L81 HydrophobicContact CG1-CD2 4.28Å; I64-V91 HydrophobicContact CD1-CG1 4.16Å
65K93.4Very high94Very high121 Ų12166 Ų6653%0.52632%0.322SS..Hα-helixtrans-62.1-39.5175.3-71.9168.2-174.9171.10112.2S61 E62 L63 R69S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.36Å; S61-K65 PolarHBondContact O-N 3.08Å; S61-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 WeakPolarHBondContact O-CB 3.29Å; E62-K65 PolarHBondContact O-N 3.48Å; L63-K65 VanDerWaalsContact C-N 3.3Å; L63-K65 PolarHBondContact O-N 2.92Å; K65-R69 WeakPolarHBondContact O-CG 3.41Å; K65-R69 PolarHBondContact O-N 3.44Å; K65-R69 VanDerWaalsContact O-N 3.14Å
66I94.9Very high93.3Very high55 Ų5571 Ų7128%0.28235%0.346SS..Hα-helixtrans-64-48.4176.7-68.2162.7000110.6E62 L63 I64 R69 R70E62-I66 WeakPolarHBondContact O-CG1 3.5Å; E62-I66 PolarHBondContact O-N 3.11Å; L63-I66 WeakPolarHBondContact O-CB 3.49Å; L63-I66 PolarHBondContact O-N 3.14Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 2.83Å; I66-R69 PolarHBondContact O-N 3.06Å; I66-R70 PolarHBondContact O-N 3.09Å
67I95.4Very high92.9Very high0 Ų072.2 Ų72.20%035%0.35CS..Hα-helixtrans-65.4-41-179.9-60.6-53.1000111.1I35 L47 F52 L63 I64 R69 R70 L71 F79I35-I67 HydrophobicContact CD1-CD1 3.6Å; I35-I67 HydrophobicContact CD1-CG1 4.04Å; L47-I67 HydrophobicContact CD1-CG2 4.49Å; F52-I67 HydrophobicContact CE1-CD1 4.35Å; F52-I67 HydrophobicContact CZ-CD1 4.23Å; L63-I67 HydrophobicContact CD1-CG1 4.28Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.26Å; I64-I67 PolarHBondContact O-N 3.28Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.19Å; I67-R70 PolarHBondContact O-N 3.38Å; I67-R70 VanDerWaalsContact O-N 3.17Å; I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.24Å; I67-L71 WeakPolarHBondContact O-CB 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.45Å; I67-L71 PolarHBondContact O-N 3Å; I67-F79 HydrophobicContact CB-CE2 4.41Å; I67-F79 HydrophobicContact CB-CZ 4.21Å; I67-F79 HydrophobicContact CG2-CE2 3.91Å; I67-F79 HydrophobicContact CG2-CZ 4.09Å
68R94.4Very high92.5Very high65 Ų6567.6 Ų67.625%0.24534%0.335CS..Hα-helixtrans-53-48.7172.7-173.9174.5-81.2-81.2-3.1112.2I64 L71 Q72 L73 N74 Q77 F79I64-R68 VanDerWaalsContact O-CB 3.32Å; I64-R68 WeakPolarHBondContact O-CB 3.29Å; I64-R68 PolarHBondContact O-N 3.16Å; R68-L71 PolarHBondContact O-N 3.36Å; R68-Q72 PolarHBondContact O-N 3.05Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R68-L73 HydrophobicContact CG-CB 4.07Å; R68-L73 PolarHBondContact O-N 3.09Å; R68-N74 PolarHBondContact NH1-O 3.18Å; R68-Q77 PolarHBondContact NH1-O 3.06Å; R68-Q77 PolarHBondContact NH2-O 3.36Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.34Å; R68-F79 HydrophobicContact CG-CE1 4.31Å
69R94.4Very high92.3Very high177 Ų17767.8 Ų67.867%0.66834%0.335SS*.Hα-helixtrans-64.2-41.1179.1-74.2-174.1-66.1-134.91.4112K65 I66 I67 Q72K65-R69 WeakPolarHBondContact O-CG 3.41Å; K65-R69 PolarHBondContact O-N 3.44Å; K65-R69 VanDerWaalsContact O-N 3.14Å; I66-R69 PolarHBondContact O-N 3.06Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.19Å; R69-Q72 PolarHBondContact O-N 3.29Å; R69-Q72 VanDerWaalsContact O-N 3.11Å
70R95.1Very high92.1Very high104 Ų10468.9 Ų68.939%0.39234%0.338SS..Hα-helixtrans-66.6-36.4177.5-75.1-173.7167.6-95.5-4.2113L47 D48 I66 I67 Q72L47-R70 HydrophobicContact CD2-CB 3.6Å; D48-R70 IonicContact OD1-NH1 3.13Å; D48-R70 PolarHBondContact OD1-NH1 3.43Å; D48-R70 VanDerWaalsContact OD1-NH1 3.13Å; D48-R70 IonicContact OD2-NH1 3.45Å; D48-R70 PolarHBondContact OD2-NH1 2.75Å; I66-R70 PolarHBondContact O-N 3.09Å; I67-R70 PolarHBondContact O-N 3.38Å; I67-R70 VanDerWaalsContact O-N 3.17Å; R70-Q72 PolarHBondContact O-N 3.17Å
71L94.8Very high92Very high7 Ų769.5 Ų69.54%0.03734%0.341CS..THydrogen-bonded Turntrans-76-6.9173.2-70174000113P45 L47 I67 R68 L73 Y113P45-L71 HydrophobicContact CG-CB 4.25Å; P45-L71 HydrophobicContact CG-CD2 4.04Å; P45-L71 WeakPolarHBondContact CG-O 3.31Å; P45-L71 VanDerWaalsContact O-CD2 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.49Å; L47-L71 HydrophobicContact CD2-CD2 3.66Å; L47-L71 HydrophobicContact CD2-CG 3.82Å; L47-L71 HydrophobicContact CG-CD2 3.79Å; L47-L71 HydrophobicContact CG-CG 4.34Å; I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.24Å; I67-L71 WeakPolarHBondContact O-CB 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.45Å; I67-L71 PolarHBondContact O-N 3Å; R68-L71 PolarHBondContact O-N 3.36Å; L71-L73 HydrophobicContact CB-CD1 4.03Å; L71-L73 HydrophobicContact CB-CD2 3.92Å; L71-L73 HydrophobicContact CB-CG 3.58Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.41Å; L71-L73 PolarHBondContact O-N 2.9Å; L71-Y113 HydrophobicContact CD1-CD2 3.86Å; L71-Y113 HydrophobicContact CD1-CE2 4.03Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.39Å; L71-Y113 HydrophobicContact CD2-CE2 3.71Å
72Q94.6Very high91.8Very high173 Ų17368.1 Ų68.181%0.80833%0.331SS*.THydrogen-bonded Turntrans55.634.8-177.5-53.7-178.912.300113.4R68 R69 R70R68-Q72 PolarHBondContact O-N 3.05Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R69-Q72 PolarHBondContact O-N 3.29Å; R69-Q72 VanDerWaalsContact O-N 3.11Å; R70-Q72 PolarHBondContact O-N 3.17Å
73L92.9Very high91.5Very high19 Ų1964.3 Ų64.310%0.09931%0.313CS..  trans-78.1138.7-177-53.5178.9000111.7L44 P45 R68 L71 Q77 F79L44-L73 HydrophobicContact CD2-CD1 4.23Å; L44-L73 HydrophobicContact CD2-CD2 3.88Å; P45-L73 HydrophobicContact CG-CD2 4.28Å; R68-L73 HydrophobicContact CG-CB 4.07Å; R68-L73 PolarHBondContact O-N 3.09Å; L71-L73 HydrophobicContact CB-CD1 4.03Å; L71-L73 HydrophobicContact CB-CD2 3.92Å; L71-L73 HydrophobicContact CB-CG 3.58Å; L71-L73 HydrophobicContact CD1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CG 4.41Å; L71-L73 PolarHBondContact O-N 2.9Å; L73-Q77 VanDerWaalsContact CA-OE1 3.31Å; L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 VanDerWaalsContact CD2-OE1 3.27Å; L73-F79 HydrophobicContact CD1-CB 4.2Å; L73-F79 HydrophobicContact CD1-CD1 3.52Å; L73-F79 HydrophobicContact CD1-CE1 4.13Å; L73-F79 HydrophobicContact CD1-CG 3.98Å
74N89.6Confident90.9Very high103 Ų10366.7 Ų66.755%0.55133%0.326SS*.  trans-68.7165170.8-15.250.6000110.7R68 N76 Q77R68-N74 PolarHBondContact NH1-O 3.18Å; N74-N76 PolarHBondContact O-N 3.37Å; N74-N76 VanDerWaalsContact O-N 3.17Å; N74-Q77 PolarHBondContact O-N 2.91Å; N74-Q77 WeakPolarHBondContact OD1-CG 3.33Å; N74-Q77 PolarHBondContact OD1-OE1 2.93Å
75S86Confident89.8Confident108 Ų10865.8 Ų65.876%0.75533%0.328SS*.THydrogen-bonded Turntrans-56.1-31.5175.3520000113.4
76N85.3Confident88.7Confident150 Ų15068.1 Ų68.180%0.80234%0.34SS*.THydrogen-bonded Turntrans-84.4-11.6-174.4-59-0.5000113N74N74-N76 PolarHBondContact O-N 3.37Å; N74-N76 VanDerWaalsContact O-N 3.17Å
77Q86.1Confident87.4Confident77 Ų7767.5 Ų67.536%0.3634%0.341SS..  trans-88.3110.1176.2-69.9-176.6-44.300109.3R68 L73 N74R68-Q77 PolarHBondContact NH1-O 3.06Å; R68-Q77 PolarHBondContact NH2-O 3.36Å; L73-Q77 VanDerWaalsContact CA-OE1 3.31Å; L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 VanDerWaalsContact CD2-OE1 3.27Å; N74-Q77 PolarHBondContact O-N 2.91Å; N74-Q77 WeakPolarHBondContact OD1-CG 3.33Å; N74-Q77 PolarHBondContact OD1-OE1 2.93Å
78A86.6Confident86.1Confident40 Ų4073.7 Ų73.733%0.33137%0.371SS..  trans-80.7143.9172.200000110.4Q116A78-Q116 HydrophobicContact CB-CB 4.16Å
79F91.6Very high85Confident17 Ų1772.3 Ų72.38%0.07537%0.37CS..EExtended strand (participates in β ladder)trans-147.6155.1168.282.6-77.8000109.7L44 I64 I67 R68 L73 L81 A114L44-F79 HydrophobicContact CD1-CB 3.63Å; I64-F79 HydrophobicContact CG2-CE1 4.11Å; I64-F79 HydrophobicContact CG2-CZ 3.88Å; I67-F79 HydrophobicContact CB-CE2 4.41Å; I67-F79 HydrophobicContact CB-CZ 4.21Å; I67-F79 HydrophobicContact CG2-CE2 3.91Å; I67-F79 HydrophobicContact CG2-CZ 4.09Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.34Å; R68-F79 HydrophobicContact CG-CE1 4.31Å; L73-F79 HydrophobicContact CD1-CB 4.2Å; L73-F79 HydrophobicContact CD1-CD1 3.52Å; L73-F79 HydrophobicContact CD1-CE1 4.13Å; L73-F79 HydrophobicContact CD1-CG 3.98Å; F79-L81 HydrophobicContact CE2-CB 4.47Å; F79-A114 CarbonylContact C-O 3.6Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.38Å; F79-A114 WeakPolarHBondContact CB-O 3.49Å
80F89.4Confident84.2Confident64 Ų6467.3 Ų67.328%0.28136%0.362SS..EExtended strand (participates in β ladder)trans-109.5148.2175.4-64.2-74.3000110.4M88 Y113 A114 Q116 F119F80-M88 HydrophobicContact CD1-SD 4.32Å; F80-M88 HydrophobicContact CE1-SD 4.45Å; F80-Y113 WeakPolarHBondContact O-CA 3.42Å; F80-A114 PolarHBondContact N-O 3.45Å; F80-A114 PolarHBondContact O-N 3.15Å; F80-A114 VanDerWaalsContact O-N 3.13Å; F80-Q116 HydrophobicContact CE2-CB 3.85Å; F80-Q116 HydrophobicContact CE2-CG 3.97Å; F80-Q116 HydrophobicContact CZ-CG 4.48Å; F80-F119 HydrophobicContact CD2-CB 3.97Å; F80-F119 HydrophobicContact CD2-CD1 4.32Å; F80-F119 HydrophobicContact CD2-CG 4.2Å; F80-F119 HydrophobicContact CE2-CB 4.3Å; F80-F119 HydrophobicContact CE2-CD1 4.2Å; F80-F119 HydrophobicContact CE2-CG 4.48Å
81L90.9Very high83.6Confident15 Ų1566.4 Ų66.48%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-118.2113.3170.9-172.165.9000107.3I35 M60 L63 I64 F79 M111 V112I35-L81 HydrophobicContact CG2-CD1 3.94Å; M60-L81 HydrophobicContact CE-CD2 3.9Å; L63-L81 HydrophobicContact CD2-CD2 3.93Å; L63-L81 HydrophobicContact CG-CD2 4.18Å; I64-L81 HydrophobicContact CG1-CB 4.41Å; I64-L81 HydrophobicContact CG1-CD2 4.28Å; F79-L81 HydrophobicContact CE2-CB 4.47Å; L81-M111 HydrophobicContact CD1-CB 3.91Å; L81-M111 HydrophobicContact CD1-SD 4.31Å; L81-M111 HydrophobicContact CD2-SD 3.71Å; L81-M111 HydrophobicContact CG-CB 4.28Å; L81-M111 HydrophobicContact CG-SD 3.92Å; L81-V112 WeakPolarHBondContact CA-O 3.22Å
82L89.3Confident83.3Confident7 Ų770.5 Ų70.54%0.03740%0.397CS..EExtended strand (participates in β ladder)trans-105.2129.6-173.7-57.8171.1000109.6M88 M111 V112 F119L82-M88 HydrophobicContact CD2-CG 4.13Å; L82-M111 CarbonylContact O-C 3.53Å; L82-M111 WeakPolarHBondContact O-CA 3.36Å; L82-V112 HydrophobicContact CB-CG2 3.85Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 HydrophobicContact CG-CG2 4.5Å; L82-V112 PolarHBondContact N-O 2.8Å; L82-V112 PolarHBondContact O-N 3.29Å; L82-F119 HydrophobicContact CD1-CD2 4.23Å; L82-F119 HydrophobicContact CD1-CE2 4.31Å; L82-F119 HydrophobicContact CD2-CE2 4.09Å
83V88.6Confident83Confident0 Ų063.2 Ų63.20%037%0.367CS..EExtended strand (participates in β ladder)trans-87.5132.8176.8-173.10000109G85 H86 S87 V89 L98 E102 L109 M111V83-G85 PolarHBondContact O-N 3.35Å; V83-H86 PolarHBondContact O-N 3.47Å; V83-S87 PolarHBondContact N-O 3.19Å; V83-S87 VanDerWaalsContact N-O 3.09Å; V83-S87 PolarHBondContact O-N 3.03Å; V83-S87 VanDerWaalsContact O-N 3.08Å; V83-V89 HydrophobicContact CB-CG1 4.36Å; V83-V89 HydrophobicContact CG2-CG1 3.78Å; V83-V89 HydrophobicContact CG2-CG2 3.96Å; V83-L98 HydrophobicContact CG1-CD1 4.19Å; V83-L98 HydrophobicContact CG1-CD2 4.47Å; V83-L98 HydrophobicContact CG2-CD1 4.28Å; V83-L98 HydrophobicContact CG2-CD2 3.76Å; V83-E102 HydrophobicContact CG1-CB 3.68Å; V83-E102 HydrophobicContact CG1-CG 4.04Å; V83-L109 HydrophobicContact CG1-CD1 3.72Å; V83-M111 HydrophobicContact CG2-CE 4.25Å; V83-M111 HydrophobicContact CG2-CG 4.36Å
84N82.1Confident83.1Confident53 Ų5363.3 Ų63.328%0.28337%0.37SS..THydrogen-bonded Turntrans50.222.4-174.7-68-30.6000114.5H86 E102 Y110N84-H86 VanDerWaalsContact C-N 3.3Å; N84-H86 PolarHBondContact O-CD2 3.13Å; N84-H86 PolarHBondContact O-N 3.22Å; N84-E102 PolarHBondContact ND2-O 2.92Å; N84-E102 PolarHBondContact ND2-OE2 2.82Å; N84-E102 PolarHBondContact OD1-O 2.88Å; N84-Y110 PolarHBondContact N-O 3.07Å
85G71.4Confident83.3Confident26 Ų2658.4 Ų58.427%0.26834%0.344SS..THydrogen-bonded Turntrans79-0.3-179.500000116V83V83-G85 PolarHBondContact O-N 3.35Å
86H69Low83.8Confident171 Ų17155 Ų5579%0.79232%0.32SS*.THydrogen-bonded Turntrans-135.3-33.1-170.6-60.7-67.2000114.9V83 N84V83-H86 PolarHBondContact O-N 3.47Å; N84-H86 VanDerWaalsContact C-N 3.3Å; N84-H86 PolarHBondContact O-CD2 3.13Å; N84-H86 PolarHBondContact O-N 3.22Å
87S67.4Low84.2Confident42 Ų4253 Ų5329%0.29431%0.306SS..BIsolated β-bridgetrans-100.1126.4-169.2-62.10000112.6V83V83-S87 PolarHBondContact N-O 3.19Å; V83-S87 VanDerWaalsContact N-O 3.09Å; V83-S87 PolarHBondContact O-N 3.03Å; V83-S87 VanDerWaalsContact O-N 3.08Å
88M68.9Low84.5Confident129 Ų12949.5 Ų49.564%0.63529%0.29SS*.PPolyproline II helixtrans-82.9124.9159-69.2-160.6-63.500108.4F80 L82F80-M88 HydrophobicContact CD1-SD 4.32Å; F80-M88 HydrophobicContact CE1-SD 4.45Å; L82-M88 HydrophobicContact CD2-CG 4.13Å
89V70.5Confident84.9Confident37 Ų3748.1 Ų48.122%0.22428%0.276CS..PPolyproline II helixtrans-104155.2-177.7-670000110.6M60 V83 V91 L98M60-V89 HydrophobicContact CB-CG2 4.46Å; M60-V89 HydrophobicContact CE-CG2 3.79Å; M60-V89 HydrophobicContact CG-CG2 3.77Å; M60-V89 HydrophobicContact SD-CG2 4.24Å; V83-V89 HydrophobicContact CB-CG1 4.36Å; V83-V89 HydrophobicContact CG2-CG1 3.78Å; V83-V89 HydrophobicContact CG2-CG2 3.96Å; V89-V91 PolarHBondContact O-N 3.3Å; V89-L98 HydrophobicContact CB-CD1 4.4Å; V89-L98 HydrophobicContact CG1-CD1 3.56Å; V89-L98 HydrophobicContact CG1-CD2 4.42Å; V89-L98 HydrophobicContact CG2-CD2 4.23Å
90S78.5Confident85Confident71 Ų7154.5 Ų54.550%0.49731%0.306SS..PPolyproline II helixtrans-56.6128.3172.5-178.40000109.8S92 A93S90-S92 PolarHBondContact O-N 3.04Å; S90-S92 PolarHBondContact OG-N 3.25Å; S90-S92 PolarHBondContact OG-OG 3.19Å; S90-A93 WeakPolarHBondContact O-CB 3.4Å; S90-A93 PolarHBondContact O-N 3.45Å; S90-A93 VanDerWaalsContact O-N 3.14Å
91V82.2Confident85.1Confident86 Ų8658.6 Ų58.652%0.52133%0.326SS..THydrogen-bonded Turntrans-65-19.2179.4-64.20000112.7S61 I64 V89S61-V91 WeakPolarHBondContact CB-O 3.34Å; S61-V91 PolarHBondContact N-O 3.05Å; I64-V91 HydrophobicContact CD1-CG1 4.16Å; V89-V91 PolarHBondContact O-N 3.3Å
92S87.8Confident85.3Confident92 Ų9260.4 Ų60.464%0.64333%0.334SS*.THydrogen-bonded Turntrans-86.8-15.4177.460.50000114.1S90S90-S92 PolarHBondContact O-N 3.04Å; S90-S92 PolarHBondContact OG-N 3.25Å; S90-S92 PolarHBondContact OG-OG 3.19Å
93A89.5Confident85.6Confident21 Ų2164.8 Ų64.817%0.17435%0.353CS..SBendtrans-65.2140.1-177.400000111N59 M60 S90N59-A93 VanDerWaalsContact CA-O 3.29Å; N59-A93 WeakPolarHBondContact CA-O 3.41Å; N59-A93 WeakPolarHBondContact CB-O 3.41Å; M60-A93 PolarHBondContact N-O 3.13Å; S90-A93 WeakPolarHBondContact O-CB 3.4Å; S90-A93 PolarHBondContact O-N 3.45Å; S90-A93 VanDerWaalsContact O-N 3.14Å
94A93.7Very high86Confident21 Ų2166.7 Ų66.717%0.17436%0.363CS..BIsolated β-bridgetrans-69.1145.117300000109.8S96 E97 L98A94-S96 PolarHBondContact O-N 3.17Å; A94-E97 HydrophobicContact CB-CG 4.2Å; A94-E97 PolarHBondContact O-N 3.11Å; A94-L98 PolarHBondContact O-N 3.42Å
95I94.8Very high86.7Confident0 Ų072.4 Ų72.40%039%0.388CS..Hα-helixtrans-67.3-24.2-179.9-161170.4000112.4I31 V33 V54 P55 V58 L63 Y99 L109 M111I31-I95 HydrophobicContact CB-CG2 4.45Å; I31-I95 HydrophobicContact CG1-CG2 3.96Å; V33-I95 HydrophobicContact CG2-CD1 3.78Å; V54-I95 HydrophobicContact CB-CD1 3.82Å; V54-I95 HydrophobicContact CG1-CD1 3.76Å; V54-I95 HydrophobicContact CG1-CG2 4.08Å; V54-I95 HydrophobicContact CG2-CD1 4Å; P55-I95 WeakPolarHBondContact O-CG2 3.44Å; V58-I95 WeakPolarHBondContact O-CB 3.34Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.45Å; V58-I95 PolarHBondContact O-N 3.21Å; L63-I95 HydrophobicContact CD2-CD1 3.87Å; I95-Y99 VanDerWaalsContact O-CB 3.23Å; I95-Y99 WeakPolarHBondContact O-CB 3.5Å; I95-Y99 PolarHBondContact O-N 3.09Å; I95-L109 HydrophobicContact CG1-CD2 4.13Å; I95-M111 HydrophobicContact CD1-CE 4.4Å
96S95.8Very high88Confident37 Ų3771.4 Ų71.426%0.25938%0.376SS..Hα-helixtrans-62.4-49.2171.851.90000112.4D56 A94 L98 Y99 E100D56-S96 PolarHBondContact O-N 2.73Å; D56-S96 PolarHBondContact O-OG 3.11Å; A94-S96 PolarHBondContact O-N 3.17Å; S96-L98 VanDerWaalsContact C-N 3.3Å; S96-L98 PolarHBondContact O-N 3.14Å; S96-Y99 WeakPolarHBondContact O-CB 3.43Å; S96-Y99 PolarHBondContact O-N 3.28Å; S96-Y99 VanDerWaalsContact O-N 3.16Å; S96-E100 PolarHBondContact O-N 3.07Å; S96-E100 VanDerWaalsContact O-N 3.09Å
97E93.6Very high89.3Confident106 Ų10663.8 Ų63.850%0.49535%0.345SS..Hα-helixtrans-59.8-44.7177.1-64.5172.3172.700110.6A94 Y99 E100 Q101A94-E97 HydrophobicContact CB-CG 4.2Å; A94-E97 PolarHBondContact O-N 3.11Å; E97-Y99 VanDerWaalsContact C-N 3.33Å; E97-Y99 PolarHBondContact O-N 3.39Å; E97-E100 PolarHBondContact O-N 3.14Å; E97-Q101 WeakPolarHBondContact O-CG 3.37Å; E97-Q101 PolarHBondContact O-N 2.7Å
98L92.6Very high90.8Very high5 Ų562.4 Ų62.43%0.02633%0.333CS..Hα-helixtrans-61.7-42.8176.3178.959.7000112M60 V83 V89 A94 S96 E100 Q101 E102 L109 M111M60-L98 HydrophobicContact CE-CD2 4.27Å; M60-L98 HydrophobicContact CG-CD2 4.25Å; M60-L98 HydrophobicContact SD-CD2 3.5Å; M60-L98 WeakPolarHBondContact SD-CD2 3.21Å; V83-L98 HydrophobicContact CG1-CD1 4.19Å; V83-L98 HydrophobicContact CG1-CD2 4.47Å; V83-L98 HydrophobicContact CG2-CD1 4.28Å; V83-L98 HydrophobicContact CG2-CD2 3.76Å; V89-L98 HydrophobicContact CB-CD1 4.4Å; V89-L98 HydrophobicContact CG1-CD1 3.56Å; V89-L98 HydrophobicContact CG1-CD2 4.42Å; V89-L98 HydrophobicContact CG2-CD2 4.23Å; A94-L98 PolarHBondContact O-N 3.42Å; S96-L98 VanDerWaalsContact C-N 3.3Å; S96-L98 PolarHBondContact O-N 3.14Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 3.17Å; L98-Q101 PolarHBondContact O-N 2.8Å; L98-E102 HydrophobicContact CD1-CB 3.94Å; L98-E102 HydrophobicContact CD1-CG 3.6Å; L98-E102 WeakPolarHBondContact O-CB 3.2Å; L98-E102 PolarHBondContact O-N 3.45Å; L98-L109 HydrophobicContact CD2-CD2 4.02Å; L98-L109 HydrophobicContact CG-CD1 4.48Å; L98-L109 HydrophobicContact CG-CD2 4.09Å; L98-M111 HydrophobicContact CD2-CE 3.74Å
99Y95.5Very high92.1Very high10 Ų1056.2 Ų56.24%0.03930%0.303CS..Hα-helixtrans-62.2-37.2179.7177.7-100.4000112.4I31 P32 I95 S96 E97 Q101 K103 G107 L109I31-Y99 HydrophobicContact CD1-CD1 4.1Å; I31-Y99 HydrophobicContact CD1-CG 4.13Å; I31-Y99 HydrophobicContact CG2-CD2 3.33Å; I31-Y99 HydrophobicContact CG2-CE2 3.99Å; I31-Y99 HydrophobicContact CG2-CG 3.67Å; P32-Y99 HydrophobicContact CG-CE2 4.24Å; I95-Y99 VanDerWaalsContact O-CB 3.23Å; I95-Y99 WeakPolarHBondContact O-CB 3.5Å; I95-Y99 PolarHBondContact O-N 3.09Å; S96-Y99 WeakPolarHBondContact O-CB 3.43Å; S96-Y99 PolarHBondContact O-N 3.28Å; S96-Y99 VanDerWaalsContact O-N 3.16Å; E97-Y99 VanDerWaalsContact C-N 3.33Å; E97-Y99 PolarHBondContact O-N 3.39Å; Y99-Q101 VanDerWaalsContact C-N 3.28Å; Y99-Q101 PolarHBondContact O-N 2.87Å; Y99-K103 HydrophobicContact CD1-CD 4.28Å; Y99-K103 HydrophobicContact CD2-CB 3.87Å; Y99-K103 HydrophobicContact CE1-CD 3.82Å; Y99-K103 HydrophobicContact CE2-CB 3.74Å; Y99-K103 HydrophobicContact CE2-CD 4.3Å; Y99-K103 HydrophobicContact CG-CB 4.39Å; Y99-K103 WeakPolarHBondContact O-CB 3.44Å; Y99-K103 VanDerWaalsContact O-CG 3.27Å; Y99-K103 WeakPolarHBondContact O-CG 3.29Å; Y99-K103 PolarHBondContact O-N 3.1Å; Y99-K103 VanDerWaalsContact O-N 3.11Å; Y99-G107 VanDerWaalsContact CE2-O 3.3Å; Y99-G107 WeakPolarHBondContact CE2-O 3.42Å; Y99-G107 PolarHBondContact OH-O 3.46Å; Y99-L109 HydrophobicContact CD2-CB 3.98Å
100E94.3Very high93.4Very high151 Ų15155.6 Ų55.671%0.70630%0.297SS*.Hα-helixtrans-64.8-34.9176.9-71.6-179.6177.300112.6S96 E97 L98S96-E100 PolarHBondContact O-N 3.07Å; S96-E100 VanDerWaalsContact O-N 3.09Å; E97-E100 PolarHBondContact O-N 3.14Å; L98-E100 VanDerWaalsContact C-N 3.3Å; L98-E100 PolarHBondContact O-N 3.17Å
101Q91.6Very high94.1Very high151 Ų15152.4 Ų52.471%0.70627%0.274SS*.Hα-helixtrans-85.9-37.2-176.5-64.71736.500112.9E97 L98 Y99E97-Q101 WeakPolarHBondContact O-CG 3.37Å; E97-Q101 PolarHBondContact O-N 2.7Å; L98-Q101 PolarHBondContact O-N 2.8Å; Y99-Q101 VanDerWaalsContact C-N 3.28Å; Y99-Q101 PolarHBondContact O-N 2.87Å
102E93.4Very high94.7Very high52 Ų5249.8 Ų49.824%0.24326%0.258CS..Hα-helixtrans-123.53.4-163.1-66-71.316900114V83 N84 L98 D104 L109V83-E102 HydrophobicContact CG1-CB 3.68Å; V83-E102 HydrophobicContact CG1-CG 4.04Å; N84-E102 PolarHBondContact ND2-O 2.92Å; N84-E102 PolarHBondContact ND2-OE2 2.82Å; N84-E102 PolarHBondContact OD1-O 2.88Å; L98-E102 HydrophobicContact CD1-CB 3.94Å; L98-E102 HydrophobicContact CD1-CG 3.6Å; L98-E102 WeakPolarHBondContact O-CB 3.2Å; L98-E102 PolarHBondContact O-N 3.45Å; E102-D104 PolarHBondContact O-N 2.65Å; E102-L109 HydrophobicContact CB-CD1 3.87Å
103K95.6Very high95Very high100 Ų10045.5 Ų45.544%0.43523%0.228SC..  trans-59.5144.7173.367.9-172.3179.1-170.70111Y99Y99-K103 HydrophobicContact CD1-CD 4.28Å; Y99-K103 HydrophobicContact CD2-CB 3.87Å; Y99-K103 HydrophobicContact CE1-CD 3.82Å; Y99-K103 HydrophobicContact CE2-CB 3.74Å; Y99-K103 HydrophobicContact CE2-CD 4.3Å; Y99-K103 HydrophobicContact CG-CB 4.39Å; Y99-K103 WeakPolarHBondContact O-CB 3.44Å; Y99-K103 VanDerWaalsContact O-CG 3.27Å; Y99-K103 WeakPolarHBondContact O-CG 3.29Å; Y99-K103 PolarHBondContact O-N 3.1Å; Y99-K103 VanDerWaalsContact O-N 3.11Å
104D97.1Very high95.1Very high40 Ų4044.6 Ų44.621%0.21422%0.22CC..  trans-73.2166.8172.6-167.8-101.1000110.8K8 R16 E102 D106 G107 F108 Y110K8-D104 IonicContact NZ-OD1 3.84Å; K8-D104 PolarHBondContact NZ-OD1 3.38Å; K8-D104 VanDerWaalsContact NZ-OD1 3.14Å; K8-D104 IonicContact NZ-OD2 2.81Å; K8-D104 PolarHBondContact NZ-OD2 3.45Å; R16-D104 IonicContact NH1-OD1 3.59Å; E102-D104 PolarHBondContact O-N 2.65Å; D104-D106 WeakPolarHBondContact CB-OD1 3.39Å; D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 VanDerWaalsContact O-N 3.14Å; D104-D106 PolarHBondContact OD1-N 3.44Å; D104-G107 PolarHBondContact O-N 3.5Å; D104-F108 WeakPolarHBondContact CB-O 3.46Å; D104-F108 PolarHBondContact N-O 2.81Å; D104-Y110 HydrophobicContact CB-CD2 3.6Å; D104-Y110 HydrophobicContact CB-CE2 3.6Å
105Q97.3Very high95Very high173 Ų17343.6 Ų43.681%0.80821%0.212SC*.THydrogen-bonded Turntrans-61.8-22.3179.9-65.9-178.3-4.400113.2F13 G107F13-Q105 HydrophobicContact CE2-CB 4.02Å; F13-Q105 HydrophobicContact CZ-CB 4.24Å; Q105-G107 VanDerWaalsContact C-N 3.27Å
106D98.1Very high94.4Very high4 Ų448.7 Ų48.72%0.02124%0.236CC..THydrogen-bonded Turntrans-79.4-8.2174.372.9-4.7000114.1F13 R16 V17 V20 D104 F108 Y110F13-D106 HydrophobicContact CD2-CB 4.09Å; F13-D106 HydrophobicContact CE2-CB 3.83Å; R16-D106 HydrophobicContact CB-CB 3.85Å; R16-D106 WeakPolarHBondContact CB-OD2 3.5Å; R16-D106 WeakPolarHBondContact CD-OD2 3.21Å; R16-D106 IonicContact CZ-OD2 3.5Å; R16-D106 IonicContact NE-OD2 3.23Å; R16-D106 VanDerWaalsContact NH1-CG 3.27Å; R16-D106 IonicContact NH1-OD2 3.14Å; R16-D106 PolarHBondContact NH1-OD2 2.69Å; V17-D106 HydrophobicContact CG2-CB 4.18Å; V20-D106 WeakPolarHBondContact CG2-O 3.25Å; D104-D106 WeakPolarHBondContact CB-OD1 3.39Å; D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 VanDerWaalsContact O-N 3.14Å; D104-D106 PolarHBondContact OD1-N 3.44Å; D106-F108 PolarHBondContact OD1-N 3.11Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.32Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.31Å; D106-Y110 PolarHBondContact OD2-OH 2.64Å
107G97.8Very high93.6Very high12 Ų1251.8 Ų51.812%0.12425%0.246CC..SBendtrans875.3-178.400000115.8Y99 D104 Q105Y99-G107 VanDerWaalsContact CE2-O 3.3Å; Y99-G107 WeakPolarHBondContact CE2-O 3.42Å; Y99-G107 PolarHBondContact OH-O 3.46Å; D104-G107 PolarHBondContact O-N 3.5Å; Q105-G107 VanDerWaalsContact C-N 3.27Å
108F98.3Very high92.8Very high12 Ų1247.7 Ų47.75%0.05323%0.228CC..PPolyproline II helixtrans-89.9150.7167.2-79.4-81.3000110.8F7 R16 D19 V20 P32 I34 D104 D106 Y110F7-F108 AromaticContact CE1-CD2 3.89Å; F7-F108 HydrophobicContact CE1-CD2 3.89Å; F7-F108 AromaticContact CE1-CE2 3.65Å; F7-F108 HydrophobicContact CE1-CE2 3.65Å; F7-F108 HydrophobicContact CE1-CG 4.47Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 AromaticContact CZ-CE2 3.95Å; F7-F108 HydrophobicContact CZ-CE2 3.95Å; F7-F108 HydrophobicContact CZ-CZ 4.09Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.21Å; D19-F108 HydrophobicContact CB-CE2 4.25Å; D19-F108 HydrophobicContact CB-CZ 4.21Å; V20-F108 HydrophobicContact CG2-CD1 4.22Å; V20-F108 HydrophobicContact CG2-CD2 3.31Å; V20-F108 HydrophobicContact CG2-CE1 4.2Å; V20-F108 HydrophobicContact CG2-CE2 3.31Å; V20-F108 HydrophobicContact CG2-CG 3.79Å; V20-F108 HydrophobicContact CG2-CZ 3.76Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.66Å; P32-F108 HydrophobicContact CG-CD1 4.39Å; I34-F108 HydrophobicContact CD1-CD1 3.75Å; I34-F108 HydrophobicContact CD1-CE1 3.84Å; I34-F108 HydrophobicContact CD1-CG 4.33Å; I34-F108 HydrophobicContact CD1-CZ 4.48Å; I34-F108 HydrophobicContact CG1-CB 4.04Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.25Å; I34-F108 HydrophobicContact CG1-CG 3.88Å; D104-F108 WeakPolarHBondContact CB-O 3.46Å; D104-F108 PolarHBondContact N-O 2.81Å; D106-F108 PolarHBondContact OD1-N 3.11Å; F108-Y110 HydrophobicContact CB-CD2 4.12Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
109L96.8Very high91.7Very high0 Ų050.5 Ų50.50%024%0.241CC..EExtended strand (participates in β ladder)trans-91.2124162.7-176.459.7000109.7P32 V33 I34 V83 I95 L98 Y99 E102 M111P32-L109 PolarHBondContact O-N 2.96Å; V33-L109 CarbonylContact C-O 3.55Å; V33-L109 WeakPolarHBondContact CA-O 3.32Å; V33-L109 HydrophobicContact CG1-CB 4.38Å; V33-L109 HydrophobicContact CG1-CG 4.5Å; V33-L109 WeakPolarHBondContact CG1-O 3.37Å; V33-L109 HydrophobicContact CG2-CB 4.35Å; V33-L109 HydrophobicContact CG2-CD2 4.41Å; I34-L109 PolarHBondContact N-O 2.84Å; V83-L109 HydrophobicContact CG1-CD1 3.72Å; I95-L109 HydrophobicContact CG1-CD2 4.13Å; L98-L109 HydrophobicContact CD2-CD2 4.02Å; L98-L109 HydrophobicContact CG-CD1 4.48Å; L98-L109 HydrophobicContact CG-CD2 4.09Å; Y99-L109 HydrophobicContact CD2-CB 3.98Å; E102-L109 HydrophobicContact CB-CD1 3.87Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.78Å
110Y96.3Very high90Very high24 Ų2451.8 Ų51.89%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-101.4131.6-179-72.3-93.9000110.9F7 K8 R16 I34 N84 D104 D106 F108F7-Y110 HydrophobicContact CD1-CE1 4.06Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.42Å; K8-Y110 HydrophobicContact CD-CE1 4.27Å; K8-Y110 VanDerWaalsContact CE-CE2 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.79Å; R16-Y110 WeakPolarHBondContact CD-OH 3.19Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.82Å; I34-Y110 HydrophobicContact CB-CG 4.43Å; I34-Y110 HydrophobicContact CG1-CD1 4.22Å; I34-Y110 HydrophobicContact CG1-CE1 3.82Å; I34-Y110 HydrophobicContact CG2-CD1 3.91Å; I34-Y110 HydrophobicContact CG2-CE1 3.92Å; N84-Y110 PolarHBondContact N-O 3.07Å; D104-Y110 HydrophobicContact CB-CD2 3.6Å; D104-Y110 HydrophobicContact CB-CE2 3.6Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.32Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.31Å; D106-Y110 PolarHBondContact OD2-OH 2.64Å; F108-Y110 HydrophobicContact CB-CD2 4.12Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
111M95.3Very high88.3Confident4 Ų448.5 Ų48.52%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-135.2152.2174.1-53.3-177.3-176.800110.9V33 I34 I35 E36 M60 L63 L81 L82 V83 I95 L98 L109V33-M111 HydrophobicContact CG1-CE 4.07Å; V33-M111 HydrophobicContact CG1-CG 4.17Å; V33-M111 HydrophobicContact CG1-SD 4.08Å; I34-M111 PolarHBondContact O-N 2.86Å; I35-M111 WeakPolarHBondContact CA-O 3.47Å; I35-M111 HydrophobicContact CG1-CB 4.28Å; E36-M111 PolarHBondContact N-O 2.91Å; M60-M111 HydrophobicContact CE-CE 4.06Å; M60-M111 HydrophobicContact CE-SD 4.17Å; M60-M111 HydrophobicContact SD-CE 4.1Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.84Å; L81-M111 HydrophobicContact CD1-CB 3.91Å; L81-M111 HydrophobicContact CD1-SD 4.31Å; L81-M111 HydrophobicContact CD2-SD 3.71Å; L81-M111 HydrophobicContact CG-CB 4.28Å; L81-M111 HydrophobicContact CG-SD 3.92Å; L82-M111 CarbonylContact O-C 3.53Å; L82-M111 WeakPolarHBondContact O-CA 3.36Å; V83-M111 HydrophobicContact CG2-CE 4.25Å; V83-M111 HydrophobicContact CG2-CG 4.36Å; I95-M111 HydrophobicContact CD1-CE 4.4Å; L98-M111 HydrophobicContact CD2-CE 3.74Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.78Å
112V94.1Very high86.4Confident30 Ų3044.4 Ų44.418%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-127.7145.8172.1-640000110.7E36 Y38 L81 L82E36-V112 CarbonylContact O-C 3.53Å; E36-V112 WeakPolarHBondContact O-CA 3.34Å; Y38-V112 HydrophobicContact CD2-CG2 4.04Å; L81-V112 WeakPolarHBondContact CA-O 3.22Å; L82-V112 HydrophobicContact CB-CG2 3.85Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 HydrophobicContact CG-CG2 4.5Å; L82-V112 PolarHBondContact N-O 2.8Å; L82-V112 PolarHBondContact O-N 3.29Å
113Y93.4Very high84.4Confident2 Ų244.6 Ų44.61%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-110.2143.6172.665.3-85.6000112.3I35 E36 R37 Y38 L44 P45 I46 L47 L71 F80I35-Y113 HydrophobicContact CG2-CD1 3.97Å; E36-Y113 VanDerWaalsContact C-CE1 3.44Å; E36-Y113 WeakPolarHBondContact O-CD1 3.3Å; E36-Y113 WeakPolarHBondContact O-CE1 3.47Å; E36-Y113 PolarHBondContact O-N 3.48Å; R37-Y113 HydrophobicContact CB-CE1 3.98Å; R37-Y113 HydrophobicContact CB-CE2 4.01Å; R37-Y113 WeakPolarHBondContact CB-OH 3.41Å; R37-Y113 HydrophobicContact CG-CD2 4.3Å; R37-Y113 HydrophobicContact CG-CE1 4.48Å; R37-Y113 HydrophobicContact CG-CE2 3.63Å; Y38-Y113 WeakPolarHBondContact CB-O 3.28Å; Y38-Y113 PolarHBondContact N-O 3.31Å; L44-Y113 HydrophobicContact CB-CD2 4.38Å; L44-Y113 HydrophobicContact CB-CE2 4.18Å; L44-Y113 HydrophobicContact CD1-CD2 3.93Å; P45-Y113 WeakPolarHBondContact O-CE2 3.33Å; P45-Y113 PolarHBondContact O-OH 2.81Å; P45-Y113 VanDerWaalsContact O-OH 3.09Å; I46-Y113 WeakPolarHBondContact CA-OH 3.41Å; L47-Y113 HydrophobicContact CD1-CD1 4.2Å; L47-Y113 HydrophobicContact CD1-CE1 3.64Å; L47-Y113 HydrophobicContact CG-CE1 3.92Å; L47-Y113 PolarHBondContact N-OH 3.02Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å; L71-Y113 HydrophobicContact CD1-CD2 3.86Å; L71-Y113 HydrophobicContact CD1-CE2 4.03Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.39Å; L71-Y113 HydrophobicContact CD2-CE2 3.71Å; F80-Y113 WeakPolarHBondContact O-CA 3.42Å
114A92Very high82Confident2 Ų244 Ų442%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-147155.5178.600000110.8Y38 L44 F79 F80 T118Y38-A114 HydrophobicContact CG-CB 4.39Å; L44-A114 VanDerWaalsContact CD1-C 3.48Å; F79-A114 CarbonylContact C-O 3.6Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.38Å; F79-A114 WeakPolarHBondContact CB-O 3.49Å; F80-A114 PolarHBondContact N-O 3.45Å; F80-A114 PolarHBondContact O-N 3.15Å; F80-A114 VanDerWaalsContact O-N 3.13Å; A114-T118 HydrophobicContact CB-CG2 4.34Å
115S90.9Very high79.3Confident1 Ų147.6 Ų47.61%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-73.6164.617292.30000110.5E41 E117 T118 F119E41-S115 WeakPolarHBondContact OE2-CB 3.34Å; E41-S115 PolarHBondContact OE2-N 2.9Å; E41-S115 PolarHBondContact OE2-OG 2.83Å; S115-E117 VanDerWaalsContact C-N 3.32Å; S115-E117 VanDerWaalsContact CB-OE2 3.22Å; S115-E117 WeakPolarHBondContact CB-OE2 3.47Å; S115-E117 PolarHBondContact O-N 3.36Å; S115-E117 PolarHBondContact OG-N 3.44Å; S115-E117 PolarHBondContact OG-OE2 3.24Å; S115-T118 PolarHBondContact O-N 3Å; S115-T118 PolarHBondContact OG-N 3.18Å; S115-T118 PolarHBondContact OG-OG1 2.75Å; S115-F119 PolarHBondContact O-N 3.39Å; S115-F119 VanDerWaalsContact O-N 3.11Å
116Q82.8Confident76.3Confident107 Ų10750.9 Ų50.950%0.530%0.299SS..Hα-helixtrans-65.8-36.9177.9178.9175.2-0.800112.5A78 F80 F119 G120A78-Q116 HydrophobicContact CB-CB 4.16Å; F80-Q116 HydrophobicContact CE2-CB 3.85Å; F80-Q116 HydrophobicContact CE2-CG 3.97Å; F80-Q116 HydrophobicContact CZ-CG 4.48Å; Q116-F119 PolarHBondContact O-N 3.24Å; Q116-G120 PolarHBondContact O-N 3.18Å
117E78.9Confident75.2Confident101 Ų10153.3 Ų53.347%0.47231%0.313SS..Hα-helixtrans-64.3-42.7178.3-58.576.4-170.100111.1Q43 S115 S121Q43-E117 PolarHBondContact OE1-OE2 2.8Å; S115-E117 VanDerWaalsContact C-N 3.32Å; S115-E117 VanDerWaalsContact CB-OE2 3.22Å; S115-E117 WeakPolarHBondContact CB-OE2 3.47Å; S115-E117 PolarHBondContact O-N 3.36Å; S115-E117 PolarHBondContact OG-N 3.44Å; S115-E117 PolarHBondContact OG-OE2 3.24Å; E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 3.17Å; E117-S121 VanDerWaalsContact O-N 3.16Å; E117-S121 PolarHBondContact O-OG 3.24Å
118T76.9Confident74Confident20 Ų2055.4 Ų55.412%0.12332%0.323CS..Hα-helixtrans-65-44.9176.3-58.40000111Y38 E41 A114 S115 T122Y38-T118 HydrophobicContact CD1-CG2 3.98Å; Y38-T118 HydrophobicContact CE1-CG2 4.32Å; E41-T118 HydrophobicContact CB-CG2 4.37Å; E41-T118 WeakPolarHBondContact OE2-CB 3.46Å; E41-T118 PolarHBondContact OE2-OG1 2.94Å; A114-T118 HydrophobicContact CB-CG2 4.34Å; S115-T118 PolarHBondContact O-N 3Å; S115-T118 PolarHBondContact OG-N 3.18Å; S115-T118 PolarHBondContact OG-OG1 2.75Å; T118-T122 PolarHBondContact O-N 2.71Å; T118-T122 PolarHBondContact O-OG1 2.71Å
119F68.6Low72.6Confident64 Ų6457.8 Ų57.828%0.28134%0.338SS..Hα-helixtrans-69.4-45.2-179.9-175.4-101.5000112.7F80 L82 S115 Q116 S121 T122 A123F80-F119 HydrophobicContact CD2-CB 3.97Å; F80-F119 HydrophobicContact CD2-CD1 4.32Å; F80-F119 HydrophobicContact CD2-CG 4.2Å; F80-F119 HydrophobicContact CE2-CB 4.3Å; F80-F119 HydrophobicContact CE2-CD1 4.2Å; F80-F119 HydrophobicContact CE2-CG 4.48Å; L82-F119 HydrophobicContact CD1-CD2 4.23Å; L82-F119 HydrophobicContact CD1-CE2 4.31Å; L82-F119 HydrophobicContact CD2-CE2 4.09Å; S115-F119 PolarHBondContact O-N 3.39Å; S115-F119 VanDerWaalsContact O-N 3.11Å; Q116-F119 PolarHBondContact O-N 3.24Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 2.99Å; F119-T122 PolarHBondContact O-N 3.35Å; F119-T122 VanDerWaalsContact O-N 3.15Å; F119-T122 PolarHBondContact O-OG1 3.16Å; F119-A123 PolarHBondContact O-N 2.76Å
120G60.5Low71.2Confident37 Ų3761.2 Ų61.238%0.38136%0.358SS..Hα-helixtrans-63.8-33.2-179.500000113.1Q116 A124Q116-G120 PolarHBondContact O-N 3.18Å; G120-A124 WeakPolarHBondContact O-CB 3.41Å; G120-A124 PolarHBondContact O-N 2.83Å
121S57.8Low69.6Low83 Ų8363.6 Ų63.658%0.5837%0.374SS*.Hα-helixtrans-67.9-35.1174.9-58.10000112.4E117 F119 T125E117-S121 WeakPolarHBondContact O-CB 3.37Å; E117-S121 PolarHBondContact O-N 3.17Å; E117-S121 VanDerWaalsContact O-N 3.16Å; E117-S121 PolarHBondContact O-OG 3.24Å; F119-S121 VanDerWaalsContact C-N 3.29Å; F119-S121 PolarHBondContact O-N 2.99Å; S121-T125 PolarHBondContact O-OG1 2.88Å
122T53.6Low67.9Low65 Ų6567.5 Ų67.540%0.39940%0.398SS..Hα-helixtrans-79.5-32.7177.349.10000113.7T118 F119T118-T122 PolarHBondContact O-N 2.71Å; T118-T122 PolarHBondContact O-OG1 2.71Å; F119-T122 PolarHBondContact O-N 3.35Å; F119-T122 VanDerWaalsContact O-N 3.15Å; F119-T122 PolarHBondContact O-OG1 3.16Å
123A51.3Low66.1Low55 Ų5570.2 Ų70.246%0.45541%0.413SS..Hα-helixtrans-75.2-2817900000113F119 T125F119-A123 PolarHBondContact O-N 2.76Å; A123-T125 PolarHBondContact O-N 3.21Å
124A44.1Very low64Low89 Ų8975.5 Ų75.574%0.73644%0.444SS*.THydrogen-bonded Turntrans-73.81.9177.900000114.5G120G120-A124 WeakPolarHBondContact O-CB 3.41Å; G120-A124 PolarHBondContact O-N 2.83Å
125T39.8Very low61.6Low115 Ų11581.6 Ų81.671%0.70648%0.48SS*.THydrogen-bonded Turntrans-112.316.6-179-33.10000113.1S121 A123S121-T125 PolarHBondContact O-OG1 2.88Å; A123-T125 PolarHBondContact O-N 3.21Å
126H34.5Very low59Low242 Ų24288.9 Ų88.9100%1.1252%0.523SS*.  trans-124.40173.6-92.3-69.4000112.2

Retrieved 126 of 126 residues in 27 ms (Link to these results)

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