A0A096NS02_PAPAN Loading...

Microtubule associated protein 1 light chain 3 beta

AlphaFold DB , UniProt , Accession A0A096NS02, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 125 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
1M42.3Very low81Confident229 Ų229108.6 Ų108.6100%1.12853%0.526SS*.  01300-65.8-64.2178.800107.8S3M1-S3 PolarHBondContact O-N 3.45Å
2P55.5Low82.4Confident85 Ų85105.3 Ų105.355%0.55252%0.517SS*.  trans-53.4133.5168.2-19.231.6000108.5E4 V46P2-E4 PolarHBondContact O-N 3.16Å; P2-V46 HydrophobicContact CB-CG1 4.12Å; P2-V46 HydrophobicContact CG-CB 4.42Å; P2-V46 HydrophobicContact CG-CG1 3.87Å
3S59.4Low83.7Confident68 Ų68103.4 Ų103.448%0.47650%0.504SS..  trans-54.7130176.6154.60000109.8M1 K5M1-S3 PolarHBondContact O-N 3.45Å; S3-K5 PolarHBondContact O-N 3.48Å; S3-K5 VanDerWaalsContact O-N 3.11Å; S3-K5 VanDerWaalsContact OG-CB 3.31Å; S3-K5 WeakPolarHBondContact OG-CB 3.34Å; S3-K5 PolarHBondContact OG-N 3.47Å; S3-K5 VanDerWaalsContact OG-N 3.11Å
4E73.1Confident84.7Confident201 Ų201105 Ų10594%0.93951%0.51SS*.SBendtrans-61.1-17173.6-68.4-172.9151.700113P2P2-E4 PolarHBondContact O-N 3.16Å
5K88.1Confident85.7Confident129 Ų129104.5 Ų104.556%0.56151%0.507SS*.SBendtrans-68.8130.3177.8-57.1-176.4178.7-176.90111.9S3 Q9 R10S3-K5 PolarHBondContact O-N 3.48Å; S3-K5 VanDerWaalsContact O-N 3.11Å; S3-K5 VanDerWaalsContact OG-CB 3.31Å; S3-K5 WeakPolarHBondContact OG-CB 3.34Å; S3-K5 PolarHBondContact OG-N 3.47Å; S3-K5 VanDerWaalsContact OG-N 3.11Å; K5-Q9 VanDerWaalsContact CA-OE1 3.26Å; K5-Q9 HydrophobicContact CB-CB 4.03Å; K5-R10 HydrophobicContact CB-CG 3.88Å; K5-R10 PolarHBondContact O-NE 3.37Å
6T93.7Very high86.5Confident58 Ų5899.3 Ų99.336%0.35648%0.48SS..  trans-65.1165.4175.967.80000111.9K8 Q9 R10 E36T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 2.99Å; T6-Q9 PolarHBondContact O-N 3.31Å; T6-Q9 VanDerWaalsContact O-N 3.09Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.36Å; T6-Q9 PolarHBondContact OG1-N 3.45Å; T6-Q9 PolarHBondContact OG1-OE1 3.45Å; T6-R10 WeakPolarHBondContact O-CG 3.39Å; T6-R10 PolarHBondContact O-N 3.07Å; T6-R10 PolarHBondContact O-NE 2.73Å; T6-E36 WeakPolarHBondContact CA-OE2 3.4Å; T6-E36 VanDerWaalsContact CB-OE2 3.29Å; T6-E36 WeakPolarHBondContact CB-OE2 3.47Å
7F95.8Very high87.2Confident6 Ų696.9 Ų96.93%0.02647%0.473CS..Hα-helixtrans-57.7-43.5176.7-176.8-112.4000112Q9 R10 R11 R16 I34 E36 K51 F108 Y110F7-Q9 PolarHBondContact O-N 2.83Å; F7-R10 PolarHBondContact O-N 3.45Å; F7-R10 VanDerWaalsContact O-N 3.07Å; F7-R11 HydrophobicContact CD2-CG 4.4Å; F7-R11 HydrophobicContact CE2-CG 3.86Å; F7-R11 HydrophobicContact CZ-CG 4.19Å; F7-R11 PolarHBondContact O-N 3.27Å; F7-R16 HydrophobicContact CD1-CG 4.34Å; F7-R16 HydrophobicContact CE1-CG 3.61Å; F7-R16 HydrophobicContact CZ-CG 4.07Å; F7-I34 HydrophobicContact CB-CG2 3.77Å; F7-I34 HydrophobicContact CD1-CD1 3.65Å; F7-I34 HydrophobicContact CD1-CG1 3.7Å; F7-I34 HydrophobicContact CD1-CG2 4.35Å; F7-I34 HydrophobicContact CD2-CD1 4.26Å; F7-I34 HydrophobicContact CE1-CD1 3.76Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.38Å; F7-I34 HydrophobicContact CG-CD1 3.91Å; F7-I34 HydrophobicContact CG-CG1 4.24Å; F7-I34 HydrophobicContact CG-CG2 4.22Å; F7-I34 HydrophobicContact CZ-CD1 4.14Å; F7-E36 PolarHBondContact N-OE1 3.37Å; F7-E36 PolarHBondContact N-OE2 2.7Å; F7-K51 HydrophobicContact CE2-CD 3.92Å; F7-K51 HydrophobicContact CE2-CG 4.34Å; F7-K51 HydrophobicContact CZ-CD 4.46Å; F7-F108 AromaticContact CE1-CD2 3.91Å; F7-F108 HydrophobicContact CE1-CD2 3.91Å; F7-F108 AromaticContact CE1-CE2 3.64Å; F7-F108 HydrophobicContact CE1-CE2 3.64Å; 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 4.07Å; F7-Y110 HydrophobicContact CD1-CE1 4.08Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.43Å
8K96.3Very high87.8Confident82 Ų8295.7 Ų95.736%0.35747%0.466SS..Hα-helixtrans-65-24.2176.3-65.9-165.2179.6-170.40113.8T6 R11 D104 Y110T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 2.99Å; K8-R11 VanDerWaalsContact O-O 3.06Å; K8-D104 IonicContact NZ-OD1 2.9Å; K8-D104 PolarHBondContact NZ-OD1 2.82Å; K8-D104 IonicContact NZ-OD2 2.62Å; K8-D104 PolarHBondContact NZ-OD2 2.89Å; K8-Y110 HydrophobicContact CD-CE1 4.29Å; K8-Y110 VanDerWaalsContact CE-CE2 3.48Å; K8-Y110 HydrophobicContact CG-CE1 3.79Å
9Q95.6Very high88.4Confident129 Ų12992.5 Ų92.560%0.60345%0.451SS*.Hα-helixtrans-83.5-23.5173.5-73174-32.100112.9K5 T6 F7K5-Q9 VanDerWaalsContact CA-OE1 3.26Å; K5-Q9 HydrophobicContact CB-CB 4.03Å; T6-Q9 PolarHBondContact O-N 3.31Å; T6-Q9 VanDerWaalsContact O-N 3.09Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.36Å; T6-Q9 PolarHBondContact OG1-N 3.45Å; T6-Q9 PolarHBondContact OG1-OE1 3.45Å; F7-Q9 PolarHBondContact O-N 2.83Å
10R95.1Very high88.9Confident114 Ų11488.5 Ų88.543%0.4343%0.433SS..Hα-helixtrans-88.3-23-179.6-70.3-178.5-70.8165.3-3.8112.9K5 T6 F7 E36 T50K5-R10 HydrophobicContact CB-CG 3.88Å; K5-R10 PolarHBondContact O-NE 3.37Å; T6-R10 WeakPolarHBondContact O-CG 3.39Å; T6-R10 PolarHBondContact O-N 3.07Å; T6-R10 PolarHBondContact O-NE 2.73Å; F7-R10 PolarHBondContact O-N 3.45Å; F7-R10 VanDerWaalsContact O-N 3.07Å; R10-E36 IonicContact NH2-OE1 2.63Å; R10-E36 PolarHBondContact NH2-OE1 2.89Å; R10-E36 VanDerWaalsContact NH2-OE1 3.14Å; R10-T50 PolarHBondContact NH2-OG1 3.07Å
11R96.2Very high89.3Confident94 Ų9489.5 Ų89.536%0.35543%0.432SS..SBendtrans-132.5134.9-176.2-65.1-122.1170.1158.2-10.8110.9F7 K8 Q15 R16 D19F7-R11 HydrophobicContact CD2-CG 4.4Å; F7-R11 HydrophobicContact CE2-CG 3.86Å; F7-R11 HydrophobicContact CZ-CG 4.19Å; F7-R11 PolarHBondContact O-N 3.27Å; K8-R11 VanDerWaalsContact O-O 3.06Å; R11-Q15 HydrophobicContact CB-CB 4.5Å; R11-R16 HydrophobicContact CB-CG 3.77Å; R11-R16 PolarHBondContact O-NE 3.19Å; R11-D19 IonicContact CZ-OD2 3.45Å; R11-D19 IonicContact NH1-OD1 3.68Å; R11-D19 PolarHBondContact NH1-OD1 2.95Å; R11-D19 IonicContact NH1-OD2 2.73Å; R11-D19 PolarHBondContact NH1-OD2 3.38Å
12T98.4Very high92Very high69 Ų6981.7 Ų81.742%0.42339%0.394SS..  trans-65.8167.5175.579.50000110.7E14 Q15 R16T12-E14 WeakPolarHBondContact CB-OE2 3.43Å; T12-E14 PolarHBondContact OG1-OE2 2.9Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.32Å; T12-Q15 PolarHBondContact OG1-N 3.33Å; T12-R16 VanDerWaalsContact O-CG 3.31Å; T12-R16 WeakPolarHBondContact O-CG 3.34Å; T12-R16 PolarHBondContact O-N 2.99Å; T12-R16 PolarHBondContact O-NE 2.63Å
13F98.5Very high94Very high80 Ų8079.6 Ų79.635%0.35138%0.378SS..Hα-helixtrans-61.4-45.9178.2179.1-97.1000112.1Q15 R16 V17 E105 D106F13-Q15 VanDerWaalsContact C-N 3.31Å; F13-Q15 PolarHBondContact O-N 2.89Å; F13-R16 VanDerWaalsContact CA-NH2 3.27Å; F13-R16 WeakPolarHBondContact O-CB 3.31Å; F13-R16 PolarHBondContact O-N 2.99Å; F13-V17 HydrophobicContact CD1-CG2 4.04Å; F13-V17 HydrophobicContact CE1-CG2 3.6Å; F13-V17 HydrophobicContact CE2-CG2 4.3Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.27Å; F13-V17 PolarHBondContact O-N 3.02Å; F13-E105 HydrophobicContact CE2-CB 4.04Å; F13-E105 HydrophobicContact CZ-CB 4.24Å; F13-D106 HydrophobicContact CD2-CB 4.09Å; F13-D106 HydrophobicContact CE2-CB 3.84Å
14E98.6Very high95.8Very high126 Ų12681 Ų8159%0.58937%0.373SS*.Hα-helixtrans-62.4-40.7-178.1-55.670-15000111T12 R16 V17 E18T12-E14 WeakPolarHBondContact CB-OE2 3.43Å; T12-E14 PolarHBondContact OG1-OE2 2.9Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.49Å; E14-V17 PolarHBondContact O-N 2.89Å; E14-E18 WeakPolarHBondContact O-CB 3.45Å; E14-E18 PolarHBondContact O-N 3.37Å
15Q98.6Very high97Very high97 Ų9777.3 Ų77.345%0.45336%0.355SS..Hα-helixtrans-63.4-38.7174.8-71.2176.4-2500112.1R11 T12 F13 D19R11-Q15 HydrophobicContact CB-CB 4.5Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.32Å; T12-Q15 PolarHBondContact OG1-N 3.33Å; F13-Q15 VanDerWaalsContact C-N 3.31Å; F13-Q15 PolarHBondContact O-N 2.89Å; Q15-D19 WeakPolarHBondContact O-CB 3.35Å; Q15-D19 PolarHBondContact O-N 3.46Å
16R98.6Very high97.5Very high21 Ų2177.1 Ų77.18%0.07936%0.356CS..Hα-helixtrans-69.9-42.3179-69.7178.8-73.6121.6-3.8111.5F7 R11 T12 F13 E14 E18 D19 V20 D104 D106 F108 Y110F7-R16 HydrophobicContact CD1-CG 4.34Å; F7-R16 HydrophobicContact CE1-CG 3.61Å; F7-R16 HydrophobicContact CZ-CG 4.07Å; R11-R16 HydrophobicContact CB-CG 3.77Å; R11-R16 PolarHBondContact O-NE 3.19Å; T12-R16 VanDerWaalsContact O-CG 3.31Å; T12-R16 WeakPolarHBondContact O-CG 3.34Å; T12-R16 PolarHBondContact O-N 2.99Å; T12-R16 PolarHBondContact O-NE 2.63Å; F13-R16 VanDerWaalsContact CA-NH2 3.27Å; F13-R16 WeakPolarHBondContact O-CB 3.31Å; F13-R16 PolarHBondContact O-N 2.99Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.49Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 2.99Å; R16-D19 WeakPolarHBondContact O-CB 3.4Å; R16-D19 PolarHBondContact O-N 2.94Å; R16-V20 WeakPolarHBondContact O-CG2 3.35Å; R16-V20 PolarHBondContact O-N 3.27Å; R16-D104 IonicContact NH1-OD1 2.9Å; R16-D106 HydrophobicContact CB-CB 3.87Å; R16-D106 WeakPolarHBondContact CB-OD2 3.22Å; R16-D106 VanDerWaalsContact CD-OD2 3.31Å; R16-D106 WeakPolarHBondContact CD-OD2 3.32Å; R16-D106 IonicContact CZ-OD2 2.63Å; R16-D106 IonicContact NE-OD2 3.82Å; R16-D106 VanDerWaalsContact NH1-CG 3.29Å; R16-D106 IonicContact NH1-OD2 3.78Å; R16-D106 PolarHBondContact NH1-OD2 3.1Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; R16-Y110 WeakPolarHBondContact CD-OH 3.2Å
17V98.7Very high97.7Very high59 Ų5977.4 Ų77.436%0.35835%0.354SS..Hα-helixtrans-57.9-48.3174171.30000110.7F13 E14 V20 R21 D106F13-V17 HydrophobicContact CD1-CG2 4.04Å; F13-V17 HydrophobicContact CE1-CG2 3.6Å; F13-V17 HydrophobicContact CE2-CG2 4.3Å; F13-V17 HydrophobicContact CZ-CG2 3.74Å; F13-V17 WeakPolarHBondContact O-CG2 3.27Å; F13-V17 PolarHBondContact O-N 3.02Å; E14-V17 PolarHBondContact O-N 2.89Å; V17-V20 PolarHBondContact O-N 3.47Å; V17-R21 PolarHBondContact O-N 3.04Å; V17-D106 HydrophobicContact CG2-CB 4.21Å
18E98.6Very high97.8Very high76 Ų7681.5 Ų81.536%0.35538%0.381SS..Hα-helixtrans-67-39.8179.4-178.159.6-171.800112.2E14 R16 V20 R21 L22E14-E18 WeakPolarHBondContact O-CB 3.45Å; E14-E18 PolarHBondContact O-N 3.37Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E18 PolarHBondContact O-N 2.99Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 3.22Å; E18-R21 PolarHBondContact O-N 3.17Å; E18-R21 IonicContact OE1-CZ 3.64Å; E18-R21 IonicContact OE1-NE 2.83Å; E18-R21 PolarHBondContact OE1-NE 2.82Å; E18-R21 IonicContact OE1-NH2 3.57Å; E18-R21 PolarHBondContact OE1-NH2 3.42Å; E18-R21 IonicContact OE2-CZ 3.31Å; E18-R21 IonicContact OE2-NE 2.7Å; E18-R21 PolarHBondContact OE2-NE 3.01Å; E18-R21 IonicContact OE2-NH2 3.8Å; E18-L22 HydrophobicContact CG-CD1 4.06Å; E18-L22 HydrophobicContact CG-CG 4.43Å; E18-L22 WeakPolarHBondContact O-CG 3.32Å; E18-L22 PolarHBondContact O-N 2.75Å
19D98.1Very high97.8Very high35 Ų3581.6 Ų81.619%0.18739%0.388CS..Hα-helixtrans-56-44.5173.1-77.2-32.1000111.4R11 Q15 R16 I23 F108R11-D19 IonicContact CZ-OD2 3.45Å; R11-D19 IonicContact NH1-OD1 3.68Å; R11-D19 PolarHBondContact NH1-OD1 2.95Å; R11-D19 IonicContact NH1-OD2 2.73Å; R11-D19 PolarHBondContact NH1-OD2 3.38Å; Q15-D19 WeakPolarHBondContact O-CB 3.35Å; Q15-D19 PolarHBondContact O-N 3.46Å; R16-D19 WeakPolarHBondContact O-CB 3.4Å; R16-D19 PolarHBondContact O-N 2.94Å; D19-I23 VanDerWaalsContact O-CB 3.31Å; D19-I23 WeakPolarHBondContact O-CB 3.42Å; D19-I23 WeakPolarHBondContact O-CG2 3.31Å; D19-I23 PolarHBondContact O-N 3.14Å; D19-F108 HydrophobicContact CB-CE2 4.14Å; D19-F108 HydrophobicContact CB-CZ 4.06Å
20V98.5Very high97.9Very high12 Ų1279 Ų797%0.07338%0.375CS..Hα-helixtrans-66.2-45.6179.1172.40000110.7R16 V17 E18 L22 I23 R24 P32 D106 F108R16-V20 WeakPolarHBondContact O-CG2 3.35Å; R16-V20 PolarHBondContact O-N 3.27Å; V17-V20 PolarHBondContact O-N 3.47Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 3.22Å; V20-L22 PolarHBondContact O-N 3.04Å; V20-I23 PolarHBondContact O-N 3.29Å; V20-R24 HydrophobicContact CG1-CG 4.08Å; V20-R24 WeakPolarHBondContact O-CB 3.33Å; V20-R24 WeakPolarHBondContact O-CG 3.46Å; V20-R24 PolarHBondContact O-N 3.11Å; V20-P32 HydrophobicContact CG1-CG 4.29Å; V20-P32 HydrophobicContact CG2-CG 4.47Å; V20-D106 WeakPolarHBondContact CG2-O 3.32Å; V20-F108 HydrophobicContact CG2-CD1 4.14Å; V20-F108 HydrophobicContact CG2-CD2 3.28Å; V20-F108 HydrophobicContact CG2-CE1 4.13Å; V20-F108 HydrophobicContact CG2-CE2 3.29Å; V20-F108 HydrophobicContact CG2-CG 3.72Å; V20-F108 HydrophobicContact CG2-CZ 3.72Å
21R98.2Very high98.1Very high110 Ų11074 Ų7442%0.41536%0.357SS..Hα-helixtrans-54.5-55.1178-171.4-172.47282.8-4110.6V17 E18 I23 R24 E25V17-R21 PolarHBondContact O-N 3.04Å; E18-R21 PolarHBondContact O-N 3.17Å; E18-R21 IonicContact OE1-CZ 3.64Å; E18-R21 IonicContact OE1-NE 2.83Å; E18-R21 PolarHBondContact OE1-NE 2.82Å; E18-R21 IonicContact OE1-NH2 3.57Å; E18-R21 PolarHBondContact OE1-NH2 3.42Å; E18-R21 IonicContact OE2-CZ 3.31Å; E18-R21 IonicContact OE2-NE 2.7Å; E18-R21 PolarHBondContact OE2-NE 3.01Å; E18-R21 IonicContact OE2-NH2 3.8Å; R21-I23 PolarHBondContact O-N 3.37Å; R21-R24 PolarHBondContact O-N 3.49Å; R21-E25 IonicContact CZ-OE1 3.49Å; R21-E25 IonicContact NH1-OE1 3.14Å; R21-E25 PolarHBondContact NH1-OE1 3.17Å; R21-E25 IonicContact NH1-OE2 3.49Å; R21-E25 PolarHBondContact NH1-OE2 3.05Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 2.9Å; R21-E25 VanDerWaalsContact O-N 3.07Å
22L98.3Very high98.2Very high64 Ų6469.6 Ų69.634%0.33534%0.341SS..Hα-helixtrans-62.1-43.5-178.6-68.1173.7000112.4E18 V20 E25 Q26E18-L22 HydrophobicContact CG-CD1 4.06Å; E18-L22 HydrophobicContact CG-CG 4.43Å; E18-L22 WeakPolarHBondContact O-CG 3.32Å; E18-L22 PolarHBondContact O-N 2.75Å; V20-L22 PolarHBondContact O-N 3.04Å; L22-E25 PolarHBondContact O-N 3.34Å; L22-Q26 WeakPolarHBondContact O-CG 3.49Å; L22-Q26 PolarHBondContact O-N 3.09Å; L22-Q26 VanDerWaalsContact O-N 3.16Å
23I97.9Very high98.2Very high42 Ų4266.3 Ų66.322%0.21532%0.32CS..Hα-helixtrans-74.3-31-175.2-154.662.2000112.4D19 V20 R21 Q26 H27 P32 L53D19-I23 VanDerWaalsContact O-CB 3.31Å; D19-I23 WeakPolarHBondContact O-CB 3.42Å; D19-I23 WeakPolarHBondContact O-CG2 3.31Å; D19-I23 PolarHBondContact O-N 3.14Å; V20-I23 PolarHBondContact O-N 3.29Å; R21-I23 PolarHBondContact O-N 3.37Å; I23-Q26 PolarHBondContact O-N 3.38Å; I23-H27 WeakPolarHBondContact O-CB 3.44Å; I23-H27 PolarHBondContact O-N 3.39Å; I23-P32 HydrophobicContact CG2-CB 4.08Å; I23-L53 HydrophobicContact CD1-CD1 4.14Å; I23-L53 HydrophobicContact CG1-CD1 3.97Å; I23-L53 HydrophobicContact CG1-CD2 3.79Å; I23-L53 HydrophobicContact CG1-CG 4.4Å; I23-L53 HydrophobicContact CG2-CD2 4.46Å
24R97.3Very high98.2Very high98 Ų9862.6 Ų62.637%0.3730%0.304SS..Hα-helixtrans-75.5-31.8175.3-70.8-164.369.1-169.6-4112.4V20 R21 Q26 H27 P28 P32 Y99V20-R24 HydrophobicContact CG1-CG 4.08Å; V20-R24 WeakPolarHBondContact O-CB 3.33Å; V20-R24 WeakPolarHBondContact O-CG 3.46Å; V20-R24 PolarHBondContact O-N 3.11Å; R21-R24 PolarHBondContact O-N 3.49Å; R24-Q26 VanDerWaalsContact C-N 3.33Å; R24-H27 CarbonylContact O-C 3.59Å; R24-P28 VanDerWaalsContact O-CA 3.27Å; R24-P28 WeakPolarHBondContact O-CA 3.44Å; R24-P32 HydrophobicContact CG-CG 4.26Å; R24-Y99 PolarHBondContact NH1-OH 3.43Å
25E97.8Very high98.1Very high122 Ų12256.6 Ų56.657%0.5728%0.276SS*.Hα-helixtrans-61.7-41.8168.7-76.6171.8-168.300111.3R21 L22R21-E25 IonicContact CZ-OE1 3.49Å; R21-E25 IonicContact NH1-OE1 3.14Å; R21-E25 PolarHBondContact NH1-OE1 3.17Å; R21-E25 IonicContact NH1-OE2 3.49Å; R21-E25 PolarHBondContact NH1-OE2 3.05Å; R21-E25 WeakPolarHBondContact O-CG 3.37Å; R21-E25 PolarHBondContact O-N 2.9Å; R21-E25 VanDerWaalsContact O-N 3.07Å; L22-E25 PolarHBondContact O-N 3.34Å
26Q98.3Very high98Very high125 Ų12553.3 Ų53.358%0.58426%0.261SS*.Hα-helixtrans-76.2-30.6179.2-68.6173.634.700113.6L22 I23 R24L22-Q26 WeakPolarHBondContact O-CG 3.49Å; L22-Q26 PolarHBondContact O-N 3.09Å; L22-Q26 VanDerWaalsContact O-N 3.16Å; I23-Q26 PolarHBondContact O-N 3.38Å; R24-Q26 VanDerWaalsContact C-N 3.33Å
27H98.1Very high97.9Very high64 Ų6457 Ų5730%0.29628%0.275SS..  trans-135.571.1-174.4-57.6-52000111.2I23 R24 T29 K30 L53I23-H27 WeakPolarHBondContact O-CB 3.44Å; I23-H27 PolarHBondContact O-N 3.39Å; R24-H27 CarbonylContact O-C 3.59Å; H27-T29 PolarHBondContact O-N 3.04Å; H27-K30 HydrophobicContact CB-CB 4.02Å; H27-K30 HydrophobicContact CB-CD 4.16Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 3.07Å; H27-K30 VanDerWaalsContact O-N 3.07Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.33Å
28P97.3Very high97.6Very high93 Ų9357.4 Ų57.460%0.60427%0.27SS*.THydrogen-bonded Turntrans-63.9-26.7-171.123.5-34.4000114.2R24 K30R24-P28 VanDerWaalsContact O-CA 3.27Å; R24-P28 WeakPolarHBondContact O-CA 3.44Å; P28-K30 VanDerWaalsContact C-N 3.34Å
29T97.6Very high97.1Very high83 Ų8363.9 Ų63.951%0.50930%0.297SS..THydrogen-bonded Turntrans-94.214179.358.60000113.4H27 D56H27-T29 PolarHBondContact O-N 3.04Å; T29-D56 WeakPolarHBondContact CA-OD2 3.49Å; T29-D56 PolarHBondContact O-N 3.3Å
30K98.3Very high96.6Very high74 Ų7464 Ų6432%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-122.7139.1179.3-58.7-167.5-174.1176.20111.6H27 P28 L53 V54H27-K30 HydrophobicContact CB-CB 4.02Å; H27-K30 HydrophobicContact CB-CD 4.16Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 3.07Å; H27-K30 VanDerWaalsContact O-N 3.07Å; P28-K30 VanDerWaalsContact C-N 3.34Å; K30-L53 HydrophobicContact CB-CB 4.15Å; K30-L53 HydrophobicContact CB-CD2 4.29Å; K30-L53 HydrophobicContact CD-CB 3.75Å; K30-L53 HydrophobicContact CD-CD1 4.48Å; K30-V54 CarbonylContact C-O 3.52Å; K30-V54 WeakPolarHBondContact CA-O 3.31Å
31I98.4Very high96.3Very high11 Ų1163.5 Ų63.56%0.05630%0.303CS..EExtended strand (participates in β ladder)trans-91.2124.1176.1-54-51.8000109.1V33 V54 D56 I95 Y99I31-V33 HydrophobicContact CB-CG2 4.39Å; I31-V33 HydrophobicContact CG2-CG2 3.9Å; I31-V33 PolarHBondContact O-N 2.63Å; I31-V54 PolarHBondContact N-O 2.52Å; I31-V54 PolarHBondContact O-N 2.79Å; I31-D56 HydrophobicContact CD1-CB 4.37Å; I31-D56 HydrophobicContact CG1-CB 4.41Å; I31-I95 HydrophobicContact CG1-CG2 4.08Å; I31-Y99 HydrophobicContact CD1-CD1 4Å; I31-Y99 HydrophobicContact CD1-CG 4.09Å; I31-Y99 HydrophobicContact CG2-CD1 4.48Å; I31-Y99 HydrophobicContact CG2-CD2 3.33Å; I31-Y99 HydrophobicContact CG2-CE2 3.96Å; I31-Y99 HydrophobicContact CG2-CG 3.64Å
32P98.4Very high95.9Very high1 Ų166.8 Ų66.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-78.6114.3174.432.3-33.1000110.2V20 I23 R24 L53 Y99 F108 L109V20-P32 HydrophobicContact CG1-CG 4.29Å; V20-P32 HydrophobicContact CG2-CG 4.47Å; I23-P32 HydrophobicContact CG2-CB 4.08Å; R24-P32 HydrophobicContact CG-CG 4.26Å; P32-L53 HydrophobicContact CB-CD2 4.28Å; P32-Y99 HydrophobicContact CG-CE2 4.45Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.68Å; P32-F108 HydrophobicContact CG-CD1 4.35Å; P32-L109 PolarHBondContact O-N 2.64Å
33V98.4Very high95.5Very high0 Ų070.6 Ų70.60%034%0.337CS..EExtended strand (participates in β ladder)trans-120.9134.6-176-167.80000110.5I31 I35 F52 V54 I95 L109 M111I31-V33 HydrophobicContact CB-CG2 4.39Å; I31-V33 HydrophobicContact CG2-CG2 3.9Å; I31-V33 PolarHBondContact O-N 2.63Å; V33-I35 HydrophobicContact CG1-CD1 4.04Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; V33-F52 HydrophobicContact CB-CB 4.36Å; V33-F52 PolarHBondContact N-O 2.81Å; V33-F52 PolarHBondContact O-N 2.8Å; V33-V54 HydrophobicContact CB-CG2 4.39Å; V33-V54 HydrophobicContact CG2-CB 4.4Å; V33-V54 HydrophobicContact CG2-CG2 3.81Å; V33-I95 HydrophobicContact CG2-CD1 3.91Å; V33-L109 CarbonylContact C-O 3.53Å; V33-L109 WeakPolarHBondContact CA-O 3.19Å; V33-L109 HydrophobicContact CG1-CB 4.31Å; V33-L109 HydrophobicContact CG1-CG 4.44Å; V33-L109 WeakPolarHBondContact CG1-O 3.48Å; V33-L109 HydrophobicContact CG2-CB 4.33Å; V33-L109 HydrophobicContact CG2-CD2 4.41Å; V33-M111 HydrophobicContact CG1-CE 4.1Å; V33-M111 HydrophobicContact CG1-CG 4.18Å; V33-M111 HydrophobicContact CG1-SD 4.12Å
34I98.3Very high95.3Very high1 Ų168.9 Ų68.91%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-103.6119.7170.3-56.3-59.6000108.5F7 E36 T50 K51 F108 L109 Y110 M111F7-I34 HydrophobicContact CB-CG2 3.77Å; F7-I34 HydrophobicContact CD1-CD1 3.65Å; F7-I34 HydrophobicContact CD1-CG1 3.7Å; F7-I34 HydrophobicContact CD1-CG2 4.35Å; F7-I34 HydrophobicContact CD2-CD1 4.26Å; F7-I34 HydrophobicContact CE1-CD1 3.76Å; F7-I34 HydrophobicContact CE1-CG1 4.05Å; F7-I34 HydrophobicContact CE2-CD1 4.38Å; F7-I34 HydrophobicContact CG-CD1 3.91Å; F7-I34 HydrophobicContact CG-CG1 4.24Å; F7-I34 HydrophobicContact CG-CG2 4.22Å; F7-I34 HydrophobicContact CZ-CD1 4.14Å; I34-E36 HydrophobicContact CG2-CG 3.96Å; I34-T50 CarbonylContact C-O 3.4Å; I34-T50 WeakPolarHBondContact CA-O 3.2Å; I34-K51 HydrophobicContact CD1-CB 4.34Å; I34-K51 HydrophobicContact CD1-CG 3.7Å; I34-F108 HydrophobicContact CD1-CD1 3.78Å; I34-F108 HydrophobicContact CD1-CE1 3.87Å; I34-F108 HydrophobicContact CD1-CG 4.34Å; I34-F108 HydrophobicContact CD1-CZ 4.48Å; I34-F108 HydrophobicContact CG1-CB 4.07Å; I34-F108 HydrophobicContact CG1-CD1 3.69Å; I34-F108 HydrophobicContact CG1-CE1 4.29Å; I34-F108 HydrophobicContact CG1-CG 3.89Å; I34-L109 PolarHBondContact N-O 3.17Å; I34-Y110 HydrophobicContact CB-CD1 3.72Å; I34-Y110 HydrophobicContact CB-CE1 3.8Å; I34-Y110 HydrophobicContact CB-CG 4.42Å; I34-Y110 HydrophobicContact CG1-CD1 4.22Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.89Å; I34-Y110 HydrophobicContact CG2-CE1 3.89Å; I34-M111 PolarHBondContact O-N 2.89Å
35I97.6Very high95.2Very high0 Ų067 Ų670%033%0.328CS..EExtended strand (participates in β ladder)trans-122.5113180-52.7177.4000108.7V33 L47 T50 F52 L63 I67 L81 M111 Y113V33-I35 HydrophobicContact CG1-CD1 4.04Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; I35-L47 HydrophobicContact CB-CD1 4.47Å; I35-L47 HydrophobicContact CG2-CD1 4.02Å; I35-T50 PolarHBondContact N-O 2.85Å; I35-T50 WeakPolarHBondContact O-CA 3.46Å; I35-T50 WeakPolarHBondContact O-CB 3.42Å; I35-F52 HydrophobicContact CB-CD2 3.97Å; I35-F52 HydrophobicContact CB-CE2 3.82Å; I35-F52 HydrophobicContact CD1-CD2 3.82Å; I35-F52 HydrophobicContact CD1-CE2 4.16Å; I35-F52 HydrophobicContact CD1-CG 4.22Å; I35-F52 HydrophobicContact CG1-CD2 3.87Å; I35-F52 HydrophobicContact CG1-CE2 4.2Å; I35-L63 HydrophobicContact CD1-CD1 4.16Å; I35-L63 HydrophobicContact CD1-CD2 4.45Å; I35-I67 HydrophobicContact CD1-CD1 3.56Å; I35-I67 HydrophobicContact CD1-CG1 3.98Å; I35-I67 HydrophobicContact CG2-CD1 4.47Å; I35-L81 HydrophobicContact CG2-CD1 3.96Å; I35-M111 WeakPolarHBondContact CA-O 3.41Å; I35-M111 HydrophobicContact CG1-CB 4.28Å; I35-Y113 HydrophobicContact CG2-CD1 3.99Å
36E96.3Very high94.9Very high28 Ų2864.3 Ų64.313%0.13132%0.32CS..EExtended strand (participates in β ladder)trans-122.8160-177.1-65.6-171.9135.800111.5T6 F7 R10 I34 T50 M111 V112 Y113T6-E36 WeakPolarHBondContact CA-OE2 3.4Å; T6-E36 VanDerWaalsContact CB-OE2 3.29Å; T6-E36 WeakPolarHBondContact CB-OE2 3.47Å; F7-E36 PolarHBondContact N-OE1 3.37Å; F7-E36 PolarHBondContact N-OE2 2.7Å; R10-E36 IonicContact NH2-OE1 2.63Å; R10-E36 PolarHBondContact NH2-OE1 2.89Å; R10-E36 VanDerWaalsContact NH2-OE1 3.14Å; I34-E36 HydrophobicContact CG2-CG 3.96Å; E36-T50 HydrophobicContact CG-CG2 3.96Å; E36-M111 PolarHBondContact N-O 2.94Å; E36-V112 CarbonylContact O-C 3.56Å; E36-V112 WeakPolarHBondContact O-CA 3.31Å; E36-Y113 VanDerWaalsContact C-CE1 3.43Å; E36-Y113 WeakPolarHBondContact O-CD1 3.31Å; E36-Y113 WeakPolarHBondContact O-CE1 3.35Å; E36-Y113 PolarHBondContact O-N 3.43Å
37R95.1Very high94.7Very high99 Ų9958.6 Ų58.637%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-72.1136.1174.6-164168.370.7174-0.5109E41 L44 V46 Y113R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.78Å; R37-E41 PolarHBondContact NE-O 3.14Å; R37-L44 PolarHBondContact NH1-O 3.47Å; R37-V46 VanDerWaalsContact CZ-CG2 3.45Å; R37-Y113 HydrophobicContact CB-CE1 3.99Å; R37-Y113 HydrophobicContact CB-CE2 4.01Å; R37-Y113 WeakPolarHBondContact CB-OH 3.32Å; R37-Y113 HydrophobicContact CG-CD2 4.33Å; R37-Y113 HydrophobicContact CG-CE1 4.5Å; R37-Y113 HydrophobicContact CG-CE2 3.63Å
38Y93.1Very high94.3Very high68 Ų6861 Ų6127%0.26731%0.309SS..  trans-58.7141.6173.4-177.4-107.7000111.1G40 E41 V112 Y113 A114 T118Y38-G40 VanDerWaalsContact CD1-N 3.32Å; Y38-G40 PolarHBondContact O-N 3.3Å; Y38-E41 VanDerWaalsContact O-CB 3.31Å; Y38-E41 WeakPolarHBondContact O-CB 3.31Å; Y38-E41 PolarHBondContact O-N 3.14Å; Y38-V112 HydrophobicContact CD2-CG2 3.99Å; Y38-Y113 VanDerWaalsContact CB-O 3.31Å; Y38-Y113 WeakPolarHBondContact CB-O 3.47Å; Y38-Y113 PolarHBondContact N-O 3.17Å; Y38-A114 HydrophobicContact CD1-CB 4.46Å; Y38-A114 HydrophobicContact CG-CB 4.36Å; Y38-T118 HydrophobicContact CD1-CG2 3.85Å; Y38-T118 HydrophobicContact CE1-CG2 4.19Å
39K88.5Confident94.1Very high211 Ų21162.4 Ų62.492%0.91731%0.305SS*.THydrogen-bonded Turntrans-59.2-33.5-173.4-173.3179.6178.7-175.90113.4
40G87.4Confident94Very high37 Ų3760 Ų6038%0.38129%0.29SS..THydrogen-bonded Turntrans-86.3-5.8178.200000114.9Y38Y38-G40 VanDerWaalsContact CD1-N 3.32Å; Y38-G40 PolarHBondContact O-N 3.3Å
41E91.4Very high93.9Very high2 Ų261.2 Ų61.21%0.00930%0.296CS..  trans-79122.8-175.8175.652.6-123.900111.3R37 Y38 Q43 L44 S115 T118R37-E41 HydrophobicContact CG-CB 3.84Å; R37-E41 HydrophobicContact CG-CG 3.78Å; R37-E41 PolarHBondContact NE-O 3.14Å; Y38-E41 VanDerWaalsContact O-CB 3.31Å; Y38-E41 WeakPolarHBondContact O-CB 3.31Å; Y38-E41 PolarHBondContact O-N 3.14Å; E41-Q43 WeakPolarHBondContact OE1-CA 3.47Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.48Å; E41-Q43 PolarHBondContact OE1-N 3.49Å; E41-L44 HydrophobicContact CG-CB 3.94Å; E41-L44 HydrophobicContact CG-CD1 4.34Å; E41-L44 HydrophobicContact CG-CG 4.24Å; E41-L44 PolarHBondContact OE1-N 3.49Å; E41-S115 WeakPolarHBondContact OE2-CB 3.44Å; E41-S115 PolarHBondContact OE2-N 3.44Å; E41-S115 PolarHBondContact OE2-OG 3.4Å; E41-T118 HydrophobicContact CB-CG2 4.36Å; E41-T118 WeakPolarHBondContact OE2-CB 3.41Å; E41-T118 PolarHBondContact OE2-OG1 3.5Å
42K89.8Confident93.9Very high180 Ų18061.7 Ų61.778%0.78330%0.297SS*.  trans-122.8-14.3-175.2-64-175.9-178.31800114.4
43Q90.8Very high93.8Very high143 Ų14364.5 Ų64.567%0.66831%0.312SS*.SBendtrans-92.6-40.1-175.7-55.4-60.5-18.300111.9E41E41-Q43 WeakPolarHBondContact OE1-CA 3.47Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.48Å; E41-Q43 PolarHBondContact OE1-N 3.49Å
44L93.8Very high93.8Very high7 Ų764.9 Ų64.94%0.03731%0.314CS..SBendtrans-79.5142.4-177.1-60179.3000111.8R37 E41 L73 F79 Y113R37-L44 PolarHBondContact NH1-O 3.47Å; E41-L44 HydrophobicContact CG-CB 3.94Å; E41-L44 HydrophobicContact CG-CD1 4.34Å; E41-L44 HydrophobicContact CG-CG 4.24Å; E41-L44 PolarHBondContact OE1-N 3.49Å; L44-L73 HydrophobicContact CD2-CD1 4.16Å; L44-L73 HydrophobicContact CD2-CD2 3.88Å; L44-F79 HydrophobicContact CD1-CB 3.52Å; L44-Y113 HydrophobicContact CB-CD2 4.36Å; L44-Y113 HydrophobicContact CB-CE2 4.15Å; L44-Y113 HydrophobicContact CD1-CD2 3.93Å
45P94.1Very high93.8Very high57 Ų5766.9 Ų66.937%0.3733%0.327SS..PPolyproline II helixtrans-64.8162.6176.627.1-31.9000111.3L71 L73 Y113P45-L71 HydrophobicContact CG-CB 4.26Å; P45-L71 HydrophobicContact CG-CD2 4.07Å; P45-L71 WeakPolarHBondContact CG-O 3.48Å; P45-L71 VanDerWaalsContact O-CD2 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.34Å; P45-L73 HydrophobicContact CG-CD2 4.25Å; P45-Y113 WeakPolarHBondContact O-CE2 3.37Å; P45-Y113 PolarHBondContact O-OH 3.34Å; P45-Y113 VanDerWaalsContact O-OH 3.05Å
46V92.9Very high93.8Very high67 Ų6769.5 Ų69.541%0.40634%0.341SS..PPolyproline II helixtrans-88.9132.9176-173.50000109.7P2 R37 Y113P2-V46 HydrophobicContact CB-CG1 4.12Å; P2-V46 HydrophobicContact CG-CB 4.42Å; P2-V46 HydrophobicContact CG-CG1 3.87Å; R37-V46 VanDerWaalsContact CZ-CG2 3.45Å; V46-Y113 WeakPolarHBondContact CA-OH 3.33Å
47L93.9Very high93.7Very high5 Ų575 Ų753%0.02637%0.367CS..PPolyproline II helixtrans-60.3142.3170.9-72171.7000112I35 K49 F52 I67 R70 L71 Y113I35-L47 HydrophobicContact CB-CD1 4.47Å; I35-L47 HydrophobicContact CG2-CD1 4.02Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 WeakPolarHBondContact CB-O 3.33Å; L47-K49 PolarHBondContact O-N 2.79Å; L47-F52 HydrophobicContact CD1-CE2 4.21Å; L47-F52 HydrophobicContact CD1-CZ 4.07Å; L47-I67 HydrophobicContact CD1-CD1 4.5Å; L47-I67 HydrophobicContact CD1-CG2 4.48Å; L47-R70 HydrophobicContact CD2-CB 3.59Å; L47-L71 HydrophobicContact CD2-CD2 3.67Å; L47-L71 HydrophobicContact CD2-CG 3.82Å; L47-L71 HydrophobicContact CG-CD2 3.78Å; L47-L71 HydrophobicContact CG-CG 4.33Å; L47-Y113 HydrophobicContact CD1-CD1 4.25Å; L47-Y113 HydrophobicContact CD1-CE1 3.67Å; L47-Y113 HydrophobicContact CG-CE1 3.94Å; L47-Y113 PolarHBondContact N-OH 3.23Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å
48D89.7Confident93.8Very high114 Ų11470.9 Ų70.961%0.6135%0.353SS*.SBendtrans-64.9-34.8173.167.9-41000112.4R70D48-R70 IonicContact OD1-NH1 3.17Å; D48-R70 PolarHBondContact OD1-NH1 3.11Å; D48-R70 VanDerWaalsContact OD1-NH1 3.17Å; D48-R70 IonicContact OD2-NH1 3.55Å; D48-R70 PolarHBondContact OD2-NH1 3.35Å
49K92.6Very high94Very high122 Ų12269.7 Ų69.753%0.5335%0.351SS..  trans-129.9138.1-178.8-65.8179.3-173.1-174.90110L47 F52L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 WeakPolarHBondContact CB-O 3.33Å; L47-K49 PolarHBondContact O-N 2.79Å; K49-F52 WeakPolarHBondContact O-CE2 3.39Å; K49-F52 WeakPolarHBondContact O-CZ 3.5Å
50T94.9Very high94.4Very high32 Ų3260 Ų6020%0.19631%0.309CS..  trans-106.3-15177.763.10000113.1R10 I34 I35 E36 F52R10-T50 PolarHBondContact NH2-OG1 3.07Å; I34-T50 CarbonylContact C-O 3.4Å; I34-T50 WeakPolarHBondContact CA-O 3.2Å; I35-T50 PolarHBondContact N-O 2.85Å; I35-T50 WeakPolarHBondContact O-CA 3.46Å; I35-T50 WeakPolarHBondContact O-CB 3.42Å; E36-T50 HydrophobicContact CG-CG2 3.96Å; T50-F52 WeakPolarHBondContact O-CD2 3.19Å
51K96.5Very high94.8Very high100 Ų10059.7 Ų59.744%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-99.3127.5177.6-61.9-177.563.4173.50110.2F7 I34F7-K51 HydrophobicContact CE2-CD 3.92Å; F7-K51 HydrophobicContact CE2-CG 4.34Å; F7-K51 HydrophobicContact CZ-CD 4.46Å; I34-K51 HydrophobicContact CD1-CB 4.34Å; I34-K51 HydrophobicContact CD1-CG 3.7Å
52F97.9Very high95.1Very high21 Ų2163.6 Ų63.69%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-128.5145.9-178.5-65.1-92.9000110.8V33 I35 L47 K49 T50 V54 I67V33-F52 HydrophobicContact CB-CB 4.36Å; V33-F52 PolarHBondContact N-O 2.81Å; V33-F52 PolarHBondContact O-N 2.8Å; I35-F52 HydrophobicContact CB-CD2 3.97Å; I35-F52 HydrophobicContact CB-CE2 3.82Å; I35-F52 HydrophobicContact CD1-CD2 3.82Å; I35-F52 HydrophobicContact CD1-CE2 4.16Å; I35-F52 HydrophobicContact CD1-CG 4.22Å; I35-F52 HydrophobicContact CG1-CD2 3.87Å; I35-F52 HydrophobicContact CG1-CE2 4.2Å; L47-F52 HydrophobicContact CD1-CE2 4.21Å; L47-F52 HydrophobicContact CD1-CZ 4.07Å; K49-F52 WeakPolarHBondContact O-CE2 3.39Å; K49-F52 WeakPolarHBondContact O-CZ 3.5Å; T50-F52 WeakPolarHBondContact O-CD2 3.19Å; F52-V54 HydrophobicContact CB-CG2 4.19Å; F52-I67 HydrophobicContact CE1-CD1 4.01Å; F52-I67 HydrophobicContact CE2-CD1 4.41Å; F52-I67 HydrophobicContact CZ-CD1 3.95Å
53L98Very high95.4Very high61 Ų6155.1 Ų55.132%0.31928%0.283SS..EExtended strand (participates in β ladder)trans-115.7106166.7-72.3173.7000107.5I23 H27 K30 P32I23-L53 HydrophobicContact CD1-CD1 4.14Å; I23-L53 HydrophobicContact CG1-CD1 3.97Å; I23-L53 HydrophobicContact CG1-CD2 3.79Å; I23-L53 HydrophobicContact CG1-CG 4.4Å; I23-L53 HydrophobicContact CG2-CD2 4.46Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.33Å; K30-L53 HydrophobicContact CB-CB 4.15Å; K30-L53 HydrophobicContact CB-CD2 4.29Å; K30-L53 HydrophobicContact CD-CB 3.75Å; K30-L53 HydrophobicContact CD-CD1 4.48Å; P32-L53 HydrophobicContact CB-CD2 4.28Å
54V98.1Very high95.7Very high7 Ų750.3 Ų50.34%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-102.6128.7-174.7-171.60000108.4K30 I31 V33 F52 D56 V58 L63 I95K30-V54 CarbonylContact C-O 3.52Å; K30-V54 WeakPolarHBondContact CA-O 3.31Å; I31-V54 PolarHBondContact N-O 2.52Å; I31-V54 PolarHBondContact O-N 2.79Å; V33-V54 HydrophobicContact CB-CG2 4.39Å; V33-V54 HydrophobicContact CG2-CB 4.4Å; V33-V54 HydrophobicContact CG2-CG2 3.81Å; F52-V54 HydrophobicContact CB-CG2 4.19Å; V54-D56 PolarHBondContact O-N 3.03Å; V54-V58 HydrophobicContact CG1-CB 3.96Å; V54-V58 HydrophobicContact CG1-CG1 3.91Å; V54-V58 HydrophobicContact CG1-CG2 4.49Å; V54-L63 HydrophobicContact CG2-CD1 3.96Å; V54-I95 HydrophobicContact CB-CD1 3.81Å; V54-I95 HydrophobicContact CG1-CD1 3.71Å; V54-I95 HydrophobicContact CG1-CG2 4.19Å; V54-I95 HydrophobicContact CG2-CD1 4.03Å
55P98.3Very high95.7Very high43 Ų4355.6 Ų55.628%0.27928%0.284SS..EExtended strand (participates in β ladder)trans-57.1139.7173.8-19.629.9000111.5H57 V58 I95P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.36Å; P55-H57 PolarHBondContact O-N 3.32Å; P55-V58 HydrophobicContact CB-CG2 3.94Å; P55-V58 HydrophobicContact CG-CG2 4.05Å; P55-V58 WeakPolarHBondContact O-CB 3.45Å; P55-V58 PolarHBondContact O-N 3.19Å; P55-V58 VanDerWaalsContact O-N 3.14Å; P55-I95 WeakPolarHBondContact O-CG2 3.44Å
56D96.9Very high95.8Very high55 Ų5555.6 Ų55.629%0.29428%0.28SS..THydrogen-bonded Turntrans-59.6-31.4-175.951.914.3000115.4T29 I31 V54 V58 S96T29-D56 WeakPolarHBondContact CA-OD2 3.49Å; T29-D56 PolarHBondContact O-N 3.3Å; I31-D56 HydrophobicContact CD1-CB 4.37Å; I31-D56 HydrophobicContact CG1-CB 4.41Å; V54-D56 PolarHBondContact O-N 3.03Å; D56-V58 VanDerWaalsContact C-N 3.29Å; D56-V58 PolarHBondContact O-N 2.88Å; D56-S96 PolarHBondContact O-OG 3.49Å
57H94.1Very high96Very high144 Ų14452.4 Ų52.467%0.66726%0.261SS*.THydrogen-bonded Turntrans-78.3-8.417862.5-86.2000114.4P55P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.36Å; P55-H57 PolarHBondContact O-N 3.32Å
58V97.3Very high96.1Very high13 Ų1355.4 Ų55.48%0.07927%0.272CS..  trans-74.1135.5179169.60000109.5V54 P55 D56 E62 I95V54-V58 HydrophobicContact CG1-CB 3.96Å; V54-V58 HydrophobicContact CG1-CG1 3.91Å; V54-V58 HydrophobicContact CG1-CG2 4.49Å; P55-V58 HydrophobicContact CB-CG2 3.94Å; P55-V58 HydrophobicContact CG-CG2 4.05Å; P55-V58 WeakPolarHBondContact O-CB 3.45Å; P55-V58 PolarHBondContact O-N 3.19Å; P55-V58 VanDerWaalsContact O-N 3.14Å; D56-V58 VanDerWaalsContact C-N 3.29Å; D56-V58 PolarHBondContact O-N 2.88Å; V58-E62 WeakPolarHBondContact CA-OE2 3.5Å; V58-E62 HydrophobicContact CG1-CB 3.66Å; V58-I95 WeakPolarHBondContact O-CB 3.25Å; V58-I95 VanDerWaalsContact O-CG2 3.22Å; V58-I95 WeakPolarHBondContact O-CG2 3.4Å; V58-I95 PolarHBondContact O-N 3.5Å
59N97.2Very high96.3Very high43 Ų4358.2 Ų58.223%0.2327%0.274CS..BIsolated β-bridgetrans-91.9169.1174.466.943.4000112.7S61 E62 L63 T93N59-S61 VanDerWaalsContact C-N 3.26Å; N59-S61 PolarHBondContact O-N 3.47Å; N59-S61 WeakPolarHBondContact OD1-CB 3.47Å; N59-S61 PolarHBondContact OD1-N 3.44Å; N59-S61 PolarHBondContact OD1-OG 2.9Å; N59-E62 PolarHBondContact N-OE2 3.07Å; N59-E62 PolarHBondContact O-N 3.08Å; N59-E62 PolarHBondContact OD1-N 3.43Å; N59-L63 PolarHBondContact O-N 3.36Å; N59-L63 VanDerWaalsContact O-N 3.11Å; N59-T93 WeakPolarHBondContact CA-O 3.33Å; N59-T93 WeakPolarHBondContact CB-O 3.49Å
60M96.5Very high96.5Very high6 Ų657.3 Ų57.33%0.0327%0.267CS..Hα-helixtrans-58.8-33.7-179.6-71-55.4-64.700113.3E62 L63 I64 L81 V83 V89 T93 I95 V98 M111M60-E62 VanDerWaalsContact C-N 3.34Å; M60-E62 PolarHBondContact O-N 3.1Å; M60-L63 HydrophobicContact CE-CD2 4.28Å; M60-L63 PolarHBondContact O-N 3.31Å; M60-L63 HydrophobicContact SD-CD2 4.27Å; M60-I64 WeakPolarHBondContact O-CB 3.33Å; M60-I64 WeakPolarHBondContact O-CD1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.35Å; M60-I64 PolarHBondContact O-N 2.9Å; M60-L81 HydrophobicContact CE-CD2 3.98Å; M60-V83 HydrophobicContact CE-CG2 4.49Å; M60-V89 HydrophobicContact CG-CG1 4.35Å; M60-T93 PolarHBondContact N-O 3.4Å; M60-I95 HydrophobicContact SD-CG1 4.42Å; M60-V98 HydrophobicContact CG-CG2 4.09Å; M60-V98 HydrophobicContact SD-CG2 4.12Å; M60-M111 HydrophobicContact CE-CE 3.96Å; M60-M111 HydrophobicContact CE-SD 4.12Å; M60-M111 HydrophobicContact SD-CE 4.11Å
61S96.4Very high96.5Very high32 Ų3256.1 Ų56.122%0.22426%0.259CS..Hα-helixtrans-64-39.1178.284.10000112.3N59 K65 V91N59-S61 VanDerWaalsContact C-N 3.26Å; N59-S61 PolarHBondContact O-N 3.47Å; N59-S61 WeakPolarHBondContact OD1-CB 3.47Å; N59-S61 PolarHBondContact OD1-N 3.44Å; N59-S61 PolarHBondContact OD1-OG 2.9Å; S61-K65 WeakPolarHBondContact O-CG 3.43Å; S61-K65 PolarHBondContact O-N 2.92Å; S61-V91 WeakPolarHBondContact CB-O 3.44Å; S61-V91 PolarHBondContact N-O 2.62Å
62E97.4Very high96.5Very high83 Ų8359.2 Ų59.239%0.38828%0.275SS..Hα-helixtrans-72.4-41178-71.5177.4132.300111.2V58 N59 M60 I64 K65 I66V58-E62 WeakPolarHBondContact CA-OE2 3.5Å; V58-E62 HydrophobicContact CG1-CB 3.66Å; N59-E62 PolarHBondContact N-OE2 3.07Å; N59-E62 PolarHBondContact O-N 3.08Å; N59-E62 PolarHBondContact OD1-N 3.43Å; M60-E62 VanDerWaalsContact C-N 3.34Å; M60-E62 PolarHBondContact O-N 3.1Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 3.12Å; E62-K65 WeakPolarHBondContact O-CB 3.18Å; E62-K65 PolarHBondContact O-N 3.18Å; E62-I66 WeakPolarHBondContact O-CG1 3.29Å; E62-I66 PolarHBondContact O-N 3.36Å
63L97Very high96.3Very high2 Ų259 Ų591%0.0128%0.275CS..Hα-helixtrans-58.7-46.7172179.760.1000111.1I35 V54 N59 M60 K65 I66 I67 L81 I95 M111I35-L63 HydrophobicContact CD1-CD1 4.16Å; I35-L63 HydrophobicContact CD1-CD2 4.45Å; V54-L63 HydrophobicContact CG2-CD1 3.96Å; N59-L63 PolarHBondContact O-N 3.36Å; N59-L63 VanDerWaalsContact O-N 3.11Å; M60-L63 HydrophobicContact CE-CD2 4.28Å; M60-L63 PolarHBondContact O-N 3.31Å; M60-L63 HydrophobicContact SD-CD2 4.27Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.13Å; L63-I66 WeakPolarHBondContact O-CB 3.34Å; L63-I66 PolarHBondContact O-N 3.05Å; L63-I67 HydrophobicContact CD1-CD1 4.42Å; L63-I67 HydrophobicContact CD1-CG1 4.18Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 2.96Å; L63-L81 HydrophobicContact CD2-CD2 3.96Å; L63-L81 HydrophobicContact CG-CD2 4.18Å; L63-I95 HydrophobicContact CD2-CD1 3.78Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.85Å
64I95.7Very high95.9Very high42 Ų4261.5 Ų61.522%0.21529%0.289CS..Hα-helixtrans-57.9-42.5176.5-71.3164.1000110.8M60 E62 I66 I67 R68 F79 L81 V91M60-I64 WeakPolarHBondContact O-CB 3.33Å; M60-I64 WeakPolarHBondContact O-CD1 3.29Å; M60-I64 WeakPolarHBondContact O-CG1 3.35Å; M60-I64 PolarHBondContact O-N 2.9Å; E62-I64 VanDerWaalsContact C-N 3.35Å; E62-I64 PolarHBondContact O-N 3.12Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.45Å; I64-I67 PolarHBondContact O-N 3.35Å; I64-R68 VanDerWaalsContact O-CB 3.32Å; I64-R68 WeakPolarHBondContact O-CB 3.42Å; I64-R68 PolarHBondContact O-N 3.11Å; I64-F79 HydrophobicContact CG2-CE1 4.22Å; I64-F79 HydrophobicContact CG2-CZ 3.86Å; I64-L81 HydrophobicContact CG1-CB 4.39Å; I64-L81 HydrophobicContact CG1-CD2 4.22Å; I64-V91 HydrophobicContact CD1-CG1 3.95Å
65K95.3Very high95.5Very high118 Ų11865.8 Ų65.851%0.51333%0.325SS..Hα-helixtrans-62-39.6174.8-71.7167.8-174.7169.60112.1S61 E62 L63 R69S61-K65 WeakPolarHBondContact O-CG 3.43Å; S61-K65 PolarHBondContact O-N 2.92Å; E62-K65 WeakPolarHBondContact O-CB 3.18Å; E62-K65 PolarHBondContact O-N 3.18Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.13Å; K65-R69 WeakPolarHBondContact O-CG 3.41Å; K65-R69 PolarHBondContact O-N 3.48Å; K65-R69 VanDerWaalsContact O-N 3.13Å
66I95.9Very high94.9Very high57 Ų5771.5 Ų71.529%0.29235%0.353SS..Hα-helixtrans-63.4-48.1176.5-67.8163.7000110.6E62 L63 I64 R69 R70E62-I66 WeakPolarHBondContact O-CG1 3.29Å; E62-I66 PolarHBondContact O-N 3.36Å; L63-I66 WeakPolarHBondContact O-CB 3.34Å; L63-I66 PolarHBondContact O-N 3.05Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.45Å; I66-R69 PolarHBondContact O-N 3.18Å; I66-R70 PolarHBondContact O-N 3.2Å; I66-R70 VanDerWaalsContact O-N 3.07Å
67I96.7Very high94.5Very high0 Ų072.5 Ų72.50%036%0.356CS..Hα-helixtrans-66-40.8-180-59.9-53.7000111.2I35 L47 F52 L63 I64 R69 R70 L71 F79I35-I67 HydrophobicContact CD1-CD1 3.56Å; I35-I67 HydrophobicContact CD1-CG1 3.98Å; I35-I67 HydrophobicContact CG2-CD1 4.47Å; L47-I67 HydrophobicContact CD1-CD1 4.5Å; L47-I67 HydrophobicContact CD1-CG2 4.48Å; F52-I67 HydrophobicContact CE1-CD1 4.01Å; F52-I67 HydrophobicContact CE2-CD1 4.41Å; F52-I67 HydrophobicContact CZ-CD1 3.95Å; L63-I67 HydrophobicContact CD1-CD1 4.42Å; L63-I67 HydrophobicContact CD1-CG1 4.18Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 2.96Å; I64-I67 PolarHBondContact O-N 3.35Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.25Å; I67-R70 PolarHBondContact O-N 2.89Å; I67-L71 HydrophobicContact CG2-CD1 3.8Å; I67-L71 HydrophobicContact CG2-CG 4.23Å; I67-L71 WeakPolarHBondContact O-CB 3.4Å; I67-L71 WeakPolarHBondContact O-CG 3.42Å; I67-L71 PolarHBondContact O-N 3.46Å; I67-F79 HydrophobicContact CB-CE2 4.34Å; I67-F79 HydrophobicContact CB-CZ 4.1Å; I67-F79 HydrophobicContact CG2-CE2 3.88Å; I67-F79 HydrophobicContact CG2-CZ 3.98Å
68R95.6Very high94.2Very high69 Ų6967.6 Ų67.626%0.2634%0.34SS..Hα-helixtrans-53-48.7172.7-175.3171.8-81.5-78.7-1.9112.2I64 L71 Q72 L73 N74 Q77 F79I64-R68 VanDerWaalsContact O-CB 3.32Å; I64-R68 WeakPolarHBondContact O-CB 3.42Å; I64-R68 PolarHBondContact O-N 3.11Å; R68-L71 PolarHBondContact O-N 3.38Å; R68-Q72 PolarHBondContact O-N 3.16Å; R68-Q72 VanDerWaalsContact O-N 3.1Å; R68-L73 HydrophobicContact CG-CB 4.13Å; R68-L73 PolarHBondContact O-N 3.33Å; R68-N74 PolarHBondContact NH1-O 3.4Å; R68-Q77 VanDerWaalsContact CZ-O 3.31Å; R68-Q77 PolarHBondContact NH1-O 3.21Å; R68-Q77 PolarHBondContact NH2-O 3.47Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.36Å; R68-F79 HydrophobicContact CG-CE1 4.37Å
69R95Very high94.1Very high173 Ų17367.7 Ų67.765%0.65334%0.34SS*.Hα-helixtrans-64.2-41.3179.5-74.9-173.3-65.6-119.31.8112K65 I66 I67 Q72K65-R69 WeakPolarHBondContact O-CG 3.41Å; K65-R69 PolarHBondContact O-N 3.48Å; K65-R69 VanDerWaalsContact O-N 3.13Å; I66-R69 PolarHBondContact O-N 3.18Å; I67-R69 VanDerWaalsContact C-N 3.32Å; I67-R69 PolarHBondContact O-N 3.25Å; R69-Q72 PolarHBondContact O-N 3.05Å; R69-Q72 VanDerWaalsContact O-N 3.12Å
70R95.8Very high93.9Very high103 Ų10368.7 Ų68.739%0.38934%0.342SS..Hα-helixtrans-67.7-35.5177.7-75.8-169.7170.5-107.2-0.6113.3L47 D48 I66 I67 Q72L47-R70 HydrophobicContact CD2-CB 3.59Å; D48-R70 IonicContact OD1-NH1 3.17Å; D48-R70 PolarHBondContact OD1-NH1 3.11Å; D48-R70 VanDerWaalsContact OD1-NH1 3.17Å; D48-R70 IonicContact OD2-NH1 3.55Å; D48-R70 PolarHBondContact OD2-NH1 3.35Å; I66-R70 PolarHBondContact O-N 3.2Å; I66-R70 VanDerWaalsContact O-N 3.07Å; I67-R70 PolarHBondContact O-N 2.89Å; R70-Q72 PolarHBondContact O-N 3.25Å
71L95.7Very high93.7Very high6 Ų669 Ų693%0.03134%0.344CS..THydrogen-bonded Turntrans-75.9-6.8172.8-69.8173.9000112.9P45 L47 I67 R68 L73 Y113P45-L71 HydrophobicContact CG-CB 4.26Å; P45-L71 HydrophobicContact CG-CD2 4.07Å; P45-L71 WeakPolarHBondContact CG-O 3.48Å; P45-L71 VanDerWaalsContact O-CD2 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.34Å; L47-L71 HydrophobicContact CD2-CD2 3.67Å; L47-L71 HydrophobicContact CD2-CG 3.82Å; L47-L71 HydrophobicContact CG-CD2 3.78Å; L47-L71 HydrophobicContact CG-CG 4.33Å; I67-L71 HydrophobicContact CG2-CD1 3.8Å; I67-L71 HydrophobicContact CG2-CG 4.23Å; I67-L71 WeakPolarHBondContact O-CB 3.4Å; I67-L71 WeakPolarHBondContact O-CG 3.42Å; I67-L71 PolarHBondContact O-N 3.46Å; R68-L71 PolarHBondContact O-N 3.38Å; L71-L73 HydrophobicContact CB-CD1 4.02Å; L71-L73 HydrophobicContact CB-CD2 4.02Å; L71-L73 HydrophobicContact CB-CG 3.59Å; L71-L73 HydrophobicContact CD1-CD1 3.92Å; L71-L73 HydrophobicContact CD1-CG 4.42Å; L71-L73 PolarHBondContact O-N 3.17Å; L71-Y113 HydrophobicContact CD1-CD2 3.89Å; L71-Y113 HydrophobicContact CD1-CE2 4.02Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.44Å; L71-Y113 HydrophobicContact CD2-CE2 3.73Å
72Q95.3Very high93.6Very high165 Ų16567.7 Ų67.777%0.77133%0.334SS*.THydrogen-bonded Turntrans53.838.7-177.2-56.7-179.1-8.600112.9R68 R69 R70R68-Q72 PolarHBondContact O-N 3.16Å; R68-Q72 VanDerWaalsContact O-N 3.1Å; R69-Q72 PolarHBondContact O-N 3.05Å; R69-Q72 VanDerWaalsContact O-N 3.12Å; R70-Q72 PolarHBondContact O-N 3.25Å
73L94.3Very high93.4Very high18 Ų1863.7 Ų63.79%0.09432%0.316CS..  trans-81.4138.4-177-57.8179.5000112.1L44 P45 R68 L71 Q77 F79L44-L73 HydrophobicContact CD2-CD1 4.16Å; L44-L73 HydrophobicContact CD2-CD2 3.88Å; P45-L73 HydrophobicContact CG-CD2 4.25Å; R68-L73 HydrophobicContact CG-CB 4.13Å; R68-L73 PolarHBondContact O-N 3.33Å; L71-L73 HydrophobicContact CB-CD1 4.02Å; L71-L73 HydrophobicContact CB-CD2 4.02Å; L71-L73 HydrophobicContact CB-CG 3.59Å; L71-L73 HydrophobicContact CD1-CD1 3.92Å; L71-L73 HydrophobicContact CD1-CG 4.42Å; L71-L73 PolarHBondContact O-N 3.17Å; L73-Q77 HydrophobicContact CB-CB 4.09Å; L73-Q77 HydrophobicContact CD2-CB 4.32Å; L73-F79 HydrophobicContact CD1-CB 4.29Å; L73-F79 HydrophobicContact CD1-CD1 3.45Å; L73-F79 VanDerWaalsContact CD1-CD1 3.45Å; L73-F79 HydrophobicContact CD1-CE1 4.04Å; L73-F79 HydrophobicContact CD1-CG 4.08Å
74N90.7Very high93Very high112 Ų11266 Ų6660%0.59933%0.328SS*.  trans-74165.5173.7-56.3-11.9000110.6R68 N76 Q77R68-N74 PolarHBondContact NH1-O 3.4Å; N74-N76 PolarHBondContact O-N 2.91Å; N74-N76 VanDerWaalsContact O-N 3.17Å; N74-Q77 PolarHBondContact O-N 3.07Å
75A88Confident92.3Very high98 Ų9865 Ų6581%0.8133%0.329SS*.THydrogen-bonded Turntrans-57.3-31.9178.600000113.2Q77A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 3.05Å
76N87.3Confident91.5Very high163 Ų16365.2 Ų65.287%0.87233%0.331SS*.THydrogen-bonded Turntrans-79.5-12-178.7-59.3-6.9000113.5N74N74-N76 PolarHBondContact O-N 2.91Å; N74-N76 VanDerWaalsContact O-N 3.17Å
77Q88Confident90.8Very high75 Ų7564 Ų6435%0.3533%0.328SS..  trans-93107.5178.3-70.5174-62.300109.1R68 L73 N74 A75R68-Q77 VanDerWaalsContact CZ-O 3.31Å; R68-Q77 PolarHBondContact NH1-O 3.21Å; R68-Q77 PolarHBondContact NH2-O 3.47Å; L73-Q77 HydrophobicContact CB-CB 4.09Å; L73-Q77 HydrophobicContact CD2-CB 4.32Å; N74-Q77 PolarHBondContact O-N 3.07Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 3.05Å
78A88.4Confident90.3Very high41 Ų4169.4 Ų69.434%0.33935%0.354SS..  trans-84.9146.2172.500000110.7Q116A78-Q116 HydrophobicContact CB-CB 4.43Å
79F93.9Very high89.9Confident16 Ų1668.3 Ų68.37%0.0736%0.355CS..EExtended strand (participates in β ladder)trans-145.5153.9167.778.9-80.2000109.6L44 I64 I67 R68 L73 L81 A114L44-F79 HydrophobicContact CD1-CB 3.52Å; I64-F79 HydrophobicContact CG2-CE1 4.22Å; I64-F79 HydrophobicContact CG2-CZ 3.86Å; I67-F79 HydrophobicContact CB-CE2 4.34Å; I67-F79 HydrophobicContact CB-CZ 4.1Å; I67-F79 HydrophobicContact CG2-CE2 3.88Å; I67-F79 HydrophobicContact CG2-CZ 3.98Å; R68-F79 HydrophobicContact CB-CE1 3.83Å; R68-F79 HydrophobicContact CB-CZ 4.36Å; R68-F79 HydrophobicContact CG-CE1 4.37Å; L73-F79 HydrophobicContact CD1-CB 4.29Å; L73-F79 HydrophobicContact CD1-CD1 3.45Å; L73-F79 VanDerWaalsContact CD1-CD1 3.45Å; L73-F79 HydrophobicContact CD1-CE1 4.04Å; L73-F79 HydrophobicContact CD1-CG 4.08Å; F79-L81 HydrophobicContact CE2-CB 4.45Å; F79-A114 CarbonylContact C-O 3.55Å; F79-A114 VanDerWaalsContact CA-O 3.26Å; F79-A114 WeakPolarHBondContact CA-O 3.24Å; F79-A114 WeakPolarHBondContact CB-O 3.36Å
80F92.4Very high89.7Confident64 Ų6463.1 Ų63.128%0.28135%0.345SS..EExtended strand (participates in β ladder)trans-106.6147.2173-65.3-75.4000109.9M88 Y113 A114 Q116 F119F80-M88 HydrophobicContact CD1-SD 4.07Å; F80-M88 HydrophobicContact CE1-SD 4.38Å; F80-Y113 WeakPolarHBondContact O-CA 3.22Å; F80-A114 PolarHBondContact N-O 3.28Å; F80-A114 PolarHBondContact O-N 3.18Å; F80-A114 VanDerWaalsContact O-N 3.11Å; F80-Q116 HydrophobicContact CE2-CB 3.86Å; F80-Q116 HydrophobicContact CE2-CG 4.02Å; F80-F119 HydrophobicContact CD2-CB 3.85Å; F80-F119 HydrophobicContact CD2-CD1 4.09Å; F80-F119 HydrophobicContact CD2-CG 4Å; F80-F119 HydrophobicContact CE2-CB 4.29Å; F80-F119 HydrophobicContact CE2-CD1 4.1Å; F80-F119 HydrophobicContact CE2-CG 4.41Å
81L94.2Very high89.5Confident13 Ų1362.1 Ų62.17%0.06835%0.351CS..EExtended strand (participates in β ladder)trans-115.1114.8171.9-17264.3000107.6I35 M60 L63 I64 F79 M111I35-L81 HydrophobicContact CG2-CD1 3.96Å; M60-L81 HydrophobicContact CE-CD2 3.98Å; L63-L81 HydrophobicContact CD2-CD2 3.96Å; L63-L81 HydrophobicContact CG-CD2 4.18Å; I64-L81 HydrophobicContact CG1-CB 4.39Å; I64-L81 HydrophobicContact CG1-CD2 4.22Å; F79-L81 HydrophobicContact CE2-CB 4.45Å; L81-M111 HydrophobicContact CD1-CB 3.83Å; L81-M111 HydrophobicContact CD1-SD 4.24Å; L81-M111 HydrophobicContact CD2-SD 3.64Å; L81-M111 HydrophobicContact CG-CB 4.22Å; L81-M111 HydrophobicContact CG-SD 3.85Å
82L93.2Very high89.5Confident3 Ų365.9 Ų65.92%0.01638%0.377CS..EExtended strand (participates in β ladder)trans-105.5123.7-174.7-60.6170000109.5M88 M111 V112 F119L82-M88 HydrophobicContact CD2-CG 3.71Å; L82-M111 CarbonylContact O-C 3.51Å; L82-M111 WeakPolarHBondContact O-CA 3.48Å; L82-V112 HydrophobicContact CB-CG2 3.86Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 PolarHBondContact N-O 2.67Å; L82-V112 PolarHBondContact O-N 2.71Å; L82-F119 HydrophobicContact CD1-CD2 4.04Å; L82-F119 HydrophobicContact CD1-CE2 4.06Å; L82-F119 HydrophobicContact CD2-CD2 4.25Å; L82-F119 HydrophobicContact CD2-CE2 3.65Å; L82-F119 HydrophobicContact CD2-CZ 4.4Å; L82-F119 HydrophobicContact CG-CE2 4.44Å
83V93.8Very high89.5Confident0 Ų059.4 Ų59.40%035%0.349CS..EExtended strand (participates in β ladder)trans-79.1133.4173.9-173.20000108.8M60 G85 H86 S87 V89 V98 E102 L109 M111M60-V83 HydrophobicContact CE-CG2 4.49Å; V83-G85 PolarHBondContact O-N 3.21Å; V83-H86 PolarHBondContact O-N 3.38Å; V83-H86 VanDerWaalsContact O-N 3.1Å; V83-S87 PolarHBondContact N-O 2.85Å; V83-S87 PolarHBondContact O-N 2.82Å; V83-V89 HydrophobicContact CB-CG2 4.32Å; V83-V89 HydrophobicContact CG2-CG2 3.69Å; V83-V98 HydrophobicContact CG1-CG1 4Å; V83-V98 HydrophobicContact CG2-CG1 3.97Å; V83-E102 HydrophobicContact CG1-CB 3.55Å; V83-E102 HydrophobicContact CG1-CG 3.87Å; V83-L109 HydrophobicContact CG1-CD1 3.76Å; V83-M111 HydrophobicContact CG2-CE 4.15Å; V83-M111 HydrophobicContact CG2-CG 4.34Å; V83-M111 HydrophobicContact CG2-SD 4.47Å
84N88.9Confident89.7Confident50 Ų5060.4 Ų60.427%0.26736%0.357SS..THydrogen-bonded Turntrans5024.4-175-67.9-29.5000114.5H86 E102 Y110N84-H86 VanDerWaalsContact C-N 3.29Å; N84-H86 VanDerWaalsContact CB-CE1 3.47Å; N84-H86 WeakPolarHBondContact CB-CE1 3.42Å; N84-H86 PolarHBondContact O-N 2.97Å; N84-H86 PolarHBondContact O-ND1 3.42Å; N84-E102 PolarHBondContact ND2-O 3Å; N84-E102 PolarHBondContact ND2-OE2 2.77Å; N84-E102 PolarHBondContact OD1-O 3.19Å; N84-Y110 PolarHBondContact N-O 2.78Å
85G80.1Confident90Very high22 Ų2255.1 Ų55.123%0.22733%0.328CS..THydrogen-bonded Turntrans76.43.5178.800000116.3V83V83-G85 PolarHBondContact O-N 3.21Å
86H77.6Confident90.4Very high122 Ų12252.1 Ų52.157%0.56530%0.302SS*.THydrogen-bonded Turntrans-141.6-31.2-175.360.6-82.3000115.1V83 N84V83-H86 PolarHBondContact O-N 3.38Å; V83-H86 VanDerWaalsContact O-N 3.1Å; N84-H86 VanDerWaalsContact C-N 3.29Å; N84-H86 VanDerWaalsContact CB-CE1 3.47Å; N84-H86 WeakPolarHBondContact CB-CE1 3.42Å; N84-H86 PolarHBondContact O-N 2.97Å; N84-H86 PolarHBondContact O-ND1 3.42Å
87S82Confident90.9Very high31 Ų3149.6 Ų49.622%0.21728%0.284CS..BIsolated β-bridgetrans-94.1127.3-172.9-65.10000112.3V83V83-S87 PolarHBondContact N-O 2.85Å; V83-S87 PolarHBondContact O-N 2.82Å
88M85.4Confident91.3Very high114 Ų11446.1 Ų46.156%0.56227%0.268SS*.PPolyproline II helixtrans-89.6125.2162.1-71.1-169.3-65.300108.4F80 L82 F119F80-M88 HydrophobicContact CD1-SD 4.07Å; F80-M88 HydrophobicContact CE1-SD 4.38Å; L82-M88 HydrophobicContact CD2-CG 3.71Å; M88-F119 HydrophobicContact CE-CE1 4.2Å; M88-F119 HydrophobicContact CE-CZ 3.99Å; M88-F119 HydrophobicContact SD-CE1 4.19Å; M88-F119 HydrophobicContact SD-CZ 3.97Å
89V88.3Confident91.8Very high45 Ų4544.7 Ų44.727%0.27325%0.254SS..PPolyproline II helixtrans-102.9150.1178-1770000109.3M60 V83 V91 T93 V98M60-V89 HydrophobicContact CG-CG1 4.35Å; V83-V89 HydrophobicContact CB-CG2 4.32Å; V83-V89 HydrophobicContact CG2-CG2 3.69Å; V89-V91 PolarHBondContact O-N 3.46Å; V89-T93 HydrophobicContact CG1-CG2 4.01Å; V89-V98 HydrophobicContact CG1-CG2 3.79Å; V89-V98 HydrophobicContact CG2-CG1 4.33Å
90S91Very high91.9Very high64 Ų6451.1 Ų51.145%0.44829%0.285SS..PPolyproline II helixtrans-55.4135.6172.1179.10000110.6S92 T93S90-S92 PolarHBondContact O-N 2.75Å; S90-S92 VanDerWaalsContact O-N 3.17Å; S90-S92 PolarHBondContact OG-N 2.85Å; S90-S92 PolarHBondContact OG-OG 2.85Å; S90-T93 WeakPolarHBondContact CB-OG1 3.45Å; S90-T93 WeakPolarHBondContact O-CB 3.36Å; S90-T93 PolarHBondContact O-N 3.16Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.27Å
91V91.8Very high92Very high83 Ų8352.3 Ų52.350%0.50330%0.301SS..THydrogen-bonded Turntrans-64.5-20.5179.6-61.20000112.6S61 I64 V89S61-V91 WeakPolarHBondContact CB-O 3.44Å; S61-V91 PolarHBondContact N-O 2.62Å; I64-V91 HydrophobicContact CD1-CG1 3.95Å; V89-V91 PolarHBondContact O-N 3.46Å
92S95Very high92.1Very high84 Ų8453.9 Ų53.959%0.58731%0.308SS*.THydrogen-bonded Turntrans-82.6-15.517762.40000113.7S90S90-S92 PolarHBondContact O-N 2.75Å; S90-S92 VanDerWaalsContact O-N 3.17Å; S90-S92 PolarHBondContact OG-N 2.85Å; S90-S92 PolarHBondContact OG-OG 2.85Å
93T96.2Very high92.3Very high30 Ų3058.7 Ų58.718%0.18433%0.329CS..SBendtrans-67129.9-175.3-58.70000110.4N59 M60 V89 S90 E97 V98N59-T93 WeakPolarHBondContact CA-O 3.33Å; N59-T93 WeakPolarHBondContact CB-O 3.49Å; M60-T93 PolarHBondContact N-O 3.4Å; V89-T93 HydrophobicContact CG1-CG2 4.01Å; S90-T93 WeakPolarHBondContact CB-OG1 3.45Å; S90-T93 WeakPolarHBondContact O-CB 3.36Å; S90-T93 PolarHBondContact O-N 3.16Å; S90-T93 VanDerWaalsContact O-N 3.09Å; S90-T93 PolarHBondContact O-OG1 3.27Å; T93-E97 HydrophobicContact CG2-CB 4Å; T93-V98 HydrophobicContact CG2-CG2 3.75Å
94P96.9Very high92.5Very high39 Ų3960.6 Ų60.625%0.25334%0.339SS..BIsolated β-bridgetrans-58.6141170.8-24.435.3000111.6S96 E97 V98P94-S96 PolarHBondContact O-N 2.85Å; P94-E97 HydrophobicContact CB-CG 4.34Å; P94-E97 HydrophobicContact CG-CG 4.42Å; P94-E97 WeakPolarHBondContact CG-OE1 3.4Å; P94-E97 PolarHBondContact O-N 3.19Å; P94-V98 PolarHBondContact O-N 3.41Å
95I97.1Very high93Very high0 Ų066.5 Ų66.50%037%0.365CS..Hα-helixtrans-66.2-24.4-179.5-161172.3000112.7I31 V33 V54 P55 V58 M60 L63 V98 Y99 L109 M111I31-I95 HydrophobicContact CG1-CG2 4.08Å; V33-I95 HydrophobicContact CG2-CD1 3.91Å; V54-I95 HydrophobicContact CB-CD1 3.81Å; V54-I95 HydrophobicContact CG1-CD1 3.71Å; V54-I95 HydrophobicContact CG1-CG2 4.19Å; V54-I95 HydrophobicContact CG2-CD1 4.03Å; P55-I95 WeakPolarHBondContact O-CG2 3.44Å; V58-I95 WeakPolarHBondContact O-CB 3.25Å; V58-I95 VanDerWaalsContact O-CG2 3.22Å; V58-I95 WeakPolarHBondContact O-CG2 3.4Å; V58-I95 PolarHBondContact O-N 3.5Å; M60-I95 HydrophobicContact SD-CG1 4.42Å; L63-I95 HydrophobicContact CD2-CD1 3.78Å; I95-V98 PolarHBondContact O-N 2.63Å; I95-Y99 WeakPolarHBondContact O-CB 3.16Å; I95-Y99 PolarHBondContact O-N 2.79Å; I95-L109 HydrophobicContact CG1-CD2 4.2Å; I95-M111 HydrophobicContact CD1-CE 4.46Å
96S97.6Very high93.8Very high36 Ų3665.7 Ų65.725%0.25236%0.355SS..Hα-helixtrans-59.5-45.9172.150.80000112.1D56 P94 Y99 E100D56-S96 PolarHBondContact O-OG 3.49Å; P94-S96 PolarHBondContact O-N 2.85Å; S96-Y99 WeakPolarHBondContact O-CB 3.49Å; S96-Y99 PolarHBondContact O-N 3.06Å; S96-E100 WeakPolarHBondContact O-CG 3.39Å; S96-E100 PolarHBondContact O-N 3.07Å
97E97.1Very high94.8Very high109 Ų10960.4 Ų60.451%0.50933%0.334SS..Hα-helixtrans-65.4-41178-66.8178-155.900111.4T93 P94 Y99 E100 S101T93-E97 HydrophobicContact CG2-CB 4Å; P94-E97 HydrophobicContact CB-CG 4.34Å; P94-E97 HydrophobicContact CG-CG 4.42Å; P94-E97 WeakPolarHBondContact CG-OE1 3.4Å; P94-E97 PolarHBondContact O-N 3.19Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 2.96Å; E97-E100 PolarHBondContact O-N 2.89Å; E97-S101 PolarHBondContact O-N 3.44Å; E97-S101 PolarHBondContact O-OG 3.06Å
98V96.9Very high95.6Very high2 Ų259.2 Ų59.21%0.01233%0.325CS..Hα-helixtrans-61.3-42.8173-173.30000110.6M60 V83 V89 T93 P94 I95 E100 S101 E102 L109M60-V98 HydrophobicContact CG-CG2 4.09Å; M60-V98 HydrophobicContact SD-CG2 4.12Å; V83-V98 HydrophobicContact CG1-CG1 4Å; V83-V98 HydrophobicContact CG2-CG1 3.97Å; V89-V98 HydrophobicContact CG1-CG2 3.79Å; V89-V98 HydrophobicContact CG2-CG1 4.33Å; T93-V98 HydrophobicContact CG2-CG2 3.75Å; P94-V98 PolarHBondContact O-N 3.41Å; I95-V98 PolarHBondContact O-N 2.63Å; V98-E100 PolarHBondContact O-N 3.39Å; V98-S101 PolarHBondContact O-N 3Å; V98-S101 PolarHBondContact O-OG 3.09Å; V98-E102 HydrophobicContact CG1-CB 4.31Å; V98-E102 HydrophobicContact CG1-CG 4.38Å; V98-E102 WeakPolarHBondContact O-CA 3.16Å; V98-E102 VanDerWaalsContact O-CB 3.24Å; V98-E102 WeakPolarHBondContact O-CB 3.47Å; V98-E102 PolarHBondContact O-N 3.17Å; V98-L109 HydrophobicContact CB-CD2 4.45Å; V98-L109 HydrophobicContact CG1-CD1 4.27Å; V98-L109 HydrophobicContact CG1-CD2 4.01Å
99Y97.7Very high96.2Very high11 Ų1153.8 Ų53.84%0.04330%0.298CS..Hα-helixtrans-62.8-41.8178.6-177.9-107.2000112.8R24 I31 P32 I95 S96 E97 S101 K103 G107 L109R24-Y99 PolarHBondContact NH1-OH 3.43Å; I31-Y99 HydrophobicContact CD1-CD1 4Å; I31-Y99 HydrophobicContact CD1-CG 4.09Å; I31-Y99 HydrophobicContact CG2-CD1 4.48Å; I31-Y99 HydrophobicContact CG2-CD2 3.33Å; I31-Y99 HydrophobicContact CG2-CE2 3.96Å; I31-Y99 HydrophobicContact CG2-CG 3.64Å; P32-Y99 HydrophobicContact CG-CE2 4.45Å; I95-Y99 WeakPolarHBondContact O-CB 3.16Å; I95-Y99 PolarHBondContact O-N 2.79Å; S96-Y99 WeakPolarHBondContact O-CB 3.49Å; S96-Y99 PolarHBondContact O-N 3.06Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 2.96Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 2.8Å; Y99-K103 HydrophobicContact CD1-CD 4.49Å; Y99-K103 HydrophobicContact CD2-CB 3.89Å; Y99-K103 HydrophobicContact CE1-CD 4.02Å; Y99-K103 HydrophobicContact CE2-CB 3.72Å; Y99-K103 HydrophobicContact CE2-CD 4.36Å; Y99-K103 HydrophobicContact CG-CB 4.48Å; Y99-K103 WeakPolarHBondContact O-CB 3.24Å; Y99-K103 WeakPolarHBondContact O-CG 3.48Å; Y99-K103 PolarHBondContact O-N 3.11Å; Y99-K103 VanDerWaalsContact O-N 3.08Å; Y99-G107 VanDerWaalsContact CE2-O 3.25Å; Y99-G107 WeakPolarHBondContact CE2-O 3.18Å; Y99-G107 PolarHBondContact OH-O 3.06Å; Y99-L109 HydrophobicContact CD2-CB 3.98Å
100E96.8Very high96.7Very high152 Ų15252.8 Ų52.871%0.7129%0.29SS*.Hα-helixtrans-64.2-37.3179.5-75.4179-172.900112.8S96 E97 V98S96-E100 WeakPolarHBondContact O-CG 3.39Å; S96-E100 PolarHBondContact O-N 3.07Å; E97-E100 PolarHBondContact O-N 2.89Å; V98-E100 PolarHBondContact O-N 3.39Å
101S95.1Very high97Very high88 Ų8849.9 Ų49.962%0.61527%0.269SS*.Hα-helixtrans-86.4-32.7-177.148.20000114E97 V98 Y99E97-S101 PolarHBondContact O-N 3.44Å; E97-S101 PolarHBondContact O-OG 3.06Å; V98-S101 PolarHBondContact O-N 3Å; V98-S101 PolarHBondContact O-OG 3.09Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 2.8Å
102E96.5Very high97.2Very high47 Ų4747.3 Ų47.322%0.2225%0.253CS..Hα-helixtrans-125.44.2-164.8-63.4-73.1163.700114.1V83 N84 V98 D104 L109V83-E102 HydrophobicContact CG1-CB 3.55Å; V83-E102 HydrophobicContact CG1-CG 3.87Å; N84-E102 PolarHBondContact ND2-O 3Å; N84-E102 PolarHBondContact ND2-OE2 2.77Å; N84-E102 PolarHBondContact OD1-O 3.19Å; V98-E102 HydrophobicContact CG1-CB 4.31Å; V98-E102 HydrophobicContact CG1-CG 4.38Å; V98-E102 WeakPolarHBondContact O-CA 3.16Å; V98-E102 VanDerWaalsContact O-CB 3.24Å; V98-E102 WeakPolarHBondContact O-CB 3.47Å; V98-E102 PolarHBondContact O-N 3.17Å; E102-D104 PolarHBondContact O-N 2.92Å; E102-L109 HydrophobicContact CB-CD1 3.88Å
103K96.9Very high97.2Very high104 Ų10443.3 Ų43.345%0.45223%0.225SC..  trans-59.4144.6173.467.8-172.9-178.4-170.60111Y99Y99-K103 HydrophobicContact CD1-CD 4.49Å; Y99-K103 HydrophobicContact CD2-CB 3.89Å; Y99-K103 HydrophobicContact CE1-CD 4.02Å; Y99-K103 HydrophobicContact CE2-CB 3.72Å; Y99-K103 HydrophobicContact CE2-CD 4.36Å; Y99-K103 HydrophobicContact CG-CB 4.48Å; Y99-K103 WeakPolarHBondContact O-CB 3.24Å; Y99-K103 WeakPolarHBondContact O-CG 3.48Å; Y99-K103 PolarHBondContact O-N 3.11Å; Y99-K103 VanDerWaalsContact O-N 3.08Å
104D98.1Very high97.1Very high40 Ų4042 Ų4221%0.21422%0.217CC..  trans-73.5164.6172.2-163.9-111000110.6K8 R16 E102 D106 G107 F108 Y110K8-D104 IonicContact NZ-OD1 2.9Å; K8-D104 PolarHBondContact NZ-OD1 2.82Å; K8-D104 IonicContact NZ-OD2 2.62Å; K8-D104 PolarHBondContact NZ-OD2 2.89Å; R16-D104 IonicContact NH1-OD1 2.9Å; E102-D104 PolarHBondContact O-N 2.92Å; D104-D106 PolarHBondContact O-N 2.99Å; D104-D106 VanDerWaalsContact O-N 3.14Å; D104-G107 WeakPolarHBondContact O-CA 3.34Å; D104-G107 PolarHBondContact O-N 2.81Å; D104-F108 WeakPolarHBondContact CB-O 3.43Å; D104-F108 PolarHBondContact N-O 2.96Å; D104-Y110 HydrophobicContact CB-CD2 3.6Å; D104-Y110 HydrophobicContact CB-CE2 3.58Å
105E97.9Very high96.8Very high174 Ų17440.2 Ų40.281%0.81321%0.206SC*.THydrogen-bonded Turntrans-59.9-24.8178.4-64.7-179172.900113.1F13 G107F13-E105 HydrophobicContact CE2-CB 4.04Å; F13-E105 HydrophobicContact CZ-CB 4.24Å; E105-G107 PolarHBondContact O-N 3.47Å
106D98.4Very high96.2Very high4 Ų445.6 Ų45.62%0.02123%0.231CC..THydrogen-bonded Turntrans-76.7-8.9174.775.6-2000114.1F13 R16 V17 V20 D104 F108 Y110F13-D106 HydrophobicContact CD2-CB 4.09Å; F13-D106 HydrophobicContact CE2-CB 3.84Å; R16-D106 HydrophobicContact CB-CB 3.87Å; R16-D106 WeakPolarHBondContact CB-OD2 3.22Å; R16-D106 VanDerWaalsContact CD-OD2 3.31Å; R16-D106 WeakPolarHBondContact CD-OD2 3.32Å; R16-D106 IonicContact CZ-OD2 2.63Å; R16-D106 IonicContact NE-OD2 3.82Å; R16-D106 VanDerWaalsContact NH1-CG 3.29Å; R16-D106 IonicContact NH1-OD2 3.78Å; R16-D106 PolarHBondContact NH1-OD2 3.1Å; V17-D106 HydrophobicContact CG2-CB 4.21Å; V20-D106 WeakPolarHBondContact CG2-O 3.32Å; D104-D106 PolarHBondContact O-N 2.99Å; D104-D106 VanDerWaalsContact O-N 3.14Å; D106-F108 WeakPolarHBondContact OD1-CB 3.36Å; D106-F108 PolarHBondContact OD1-N 3.36Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.45Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.44Å; D106-Y110 PolarHBondContact OD2-OH 2.91Å
107G98.3Very high95.4Very high12 Ų1249.6 Ų49.612%0.12425%0.245CC..SBendtrans890.8179.900000116.2Y99 D104 E105Y99-G107 VanDerWaalsContact CE2-O 3.25Å; Y99-G107 WeakPolarHBondContact CE2-O 3.18Å; Y99-G107 PolarHBondContact OH-O 3.06Å; D104-G107 WeakPolarHBondContact O-CA 3.34Å; D104-G107 PolarHBondContact O-N 2.81Å; E105-G107 PolarHBondContact O-N 3.47Å
108F98.6Very high94.6Very high5 Ų545.1 Ų45.12%0.02223%0.226CC..PPolyproline II helixtrans-85.4153.4167.8-78.2-80.2000111F7 R16 D19 V20 P32 I34 D104 D106 Y110F7-F108 AromaticContact CE1-CD2 3.91Å; F7-F108 HydrophobicContact CE1-CD2 3.91Å; F7-F108 AromaticContact CE1-CE2 3.64Å; F7-F108 HydrophobicContact CE1-CE2 3.64Å; 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 4.07Å; R16-F108 HydrophobicContact CB-CD2 4.32Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; D19-F108 HydrophobicContact CB-CE2 4.14Å; D19-F108 HydrophobicContact CB-CZ 4.06Å; V20-F108 HydrophobicContact CG2-CD1 4.14Å; V20-F108 HydrophobicContact CG2-CD2 3.28Å; V20-F108 HydrophobicContact CG2-CE1 4.13Å; V20-F108 HydrophobicContact CG2-CE2 3.29Å; V20-F108 HydrophobicContact CG2-CG 3.72Å; V20-F108 HydrophobicContact CG2-CZ 3.72Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.68Å; P32-F108 HydrophobicContact CG-CD1 4.35Å; I34-F108 HydrophobicContact CD1-CD1 3.78Å; I34-F108 HydrophobicContact CD1-CE1 3.87Å; I34-F108 HydrophobicContact CD1-CG 4.34Å; I34-F108 HydrophobicContact CD1-CZ 4.48Å; I34-F108 HydrophobicContact CG1-CB 4.07Å; I34-F108 HydrophobicContact CG1-CD1 3.69Å; I34-F108 HydrophobicContact CG1-CE1 4.29Å; I34-F108 HydrophobicContact CG1-CG 3.89Å; D104-F108 WeakPolarHBondContact CB-O 3.43Å; D104-F108 PolarHBondContact N-O 2.96Å; D106-F108 WeakPolarHBondContact OD1-CB 3.36Å; D106-F108 PolarHBondContact OD1-N 3.36Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.54Å
109L98.1Very high93.5Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-93.5125.8162.8-175.357.3000110P32 V33 I34 V83 I95 V98 Y99 E102 M111P32-L109 PolarHBondContact O-N 2.64Å; V33-L109 CarbonylContact C-O 3.53Å; V33-L109 WeakPolarHBondContact CA-O 3.19Å; V33-L109 HydrophobicContact CG1-CB 4.31Å; V33-L109 HydrophobicContact CG1-CG 4.44Å; V33-L109 WeakPolarHBondContact CG1-O 3.48Å; V33-L109 HydrophobicContact CG2-CB 4.33Å; V33-L109 HydrophobicContact CG2-CD2 4.41Å; I34-L109 PolarHBondContact N-O 3.17Å; V83-L109 HydrophobicContact CG1-CD1 3.76Å; I95-L109 HydrophobicContact CG1-CD2 4.2Å; V98-L109 HydrophobicContact CB-CD2 4.45Å; V98-L109 HydrophobicContact CG1-CD1 4.27Å; V98-L109 HydrophobicContact CG1-CD2 4.01Å; Y99-L109 HydrophobicContact CD2-CB 3.98Å; E102-L109 HydrophobicContact CB-CD1 3.88Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.77Å
110Y97.9Very high92.1Very high25 Ų2547.3 Ų47.310%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-102.6133.3-179.3-72.2-94.3000111.1F7 K8 R16 I34 N84 D104 D106 F108F7-Y110 HydrophobicContact CD1-CE1 4.08Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.43Å; K8-Y110 HydrophobicContact CD-CE1 4.29Å; K8-Y110 VanDerWaalsContact CE-CE2 3.48Å; K8-Y110 HydrophobicContact CG-CE1 3.79Å; R16-Y110 WeakPolarHBondContact CD-OH 3.2Å; I34-Y110 HydrophobicContact CB-CD1 3.72Å; I34-Y110 HydrophobicContact CB-CE1 3.8Å; I34-Y110 HydrophobicContact CB-CG 4.42Å; I34-Y110 HydrophobicContact CG1-CD1 4.22Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.89Å; I34-Y110 HydrophobicContact CG2-CE1 3.89Å; N84-Y110 PolarHBondContact N-O 2.78Å; D104-Y110 HydrophobicContact CB-CD2 3.6Å; D104-Y110 HydrophobicContact CB-CE2 3.58Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.45Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.44Å; D106-Y110 PolarHBondContact OD2-OH 2.91Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.54Å
111M97.6Very high90.4Very high3 Ų346.1 Ų46.12%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-137152.4173.7-52.3-176.9-177.300111V33 I34 I35 E36 M60 L63 L81 L82 V83 I95 L109V33-M111 HydrophobicContact CG1-CE 4.1Å; V33-M111 HydrophobicContact CG1-CG 4.18Å; V33-M111 HydrophobicContact CG1-SD 4.12Å; I34-M111 PolarHBondContact O-N 2.89Å; I35-M111 WeakPolarHBondContact CA-O 3.41Å; I35-M111 HydrophobicContact CG1-CB 4.28Å; E36-M111 PolarHBondContact N-O 2.94Å; M60-M111 HydrophobicContact CE-CE 3.96Å; M60-M111 HydrophobicContact CE-SD 4.12Å; M60-M111 HydrophobicContact SD-CE 4.11Å; L63-M111 HydrophobicContact CD2-CE 4Å; L63-M111 HydrophobicContact CD2-SD 3.85Å; L81-M111 HydrophobicContact CD1-CB 3.83Å; L81-M111 HydrophobicContact CD1-SD 4.24Å; L81-M111 HydrophobicContact CD2-SD 3.64Å; L81-M111 HydrophobicContact CG-CB 4.22Å; L81-M111 HydrophobicContact CG-SD 3.85Å; L82-M111 CarbonylContact O-C 3.51Å; L82-M111 WeakPolarHBondContact O-CA 3.48Å; V83-M111 HydrophobicContact CG2-CE 4.15Å; V83-M111 HydrophobicContact CG2-CG 4.34Å; V83-M111 HydrophobicContact CG2-SD 4.47Å; I95-M111 HydrophobicContact CD1-CE 4.46Å; L109-M111 HydrophobicContact CD2-CE 3.33Å; L109-M111 HydrophobicContact CG-CE 3.77Å
112V95.9Very high88.8Confident28 Ų2846.2 Ų46.217%0.1723%0.229CC..EExtended strand (participates in β ladder)trans-127.5145.5171.1-62.40000110.7E36 Y38 L82E36-V112 CarbonylContact O-C 3.56Å; E36-V112 WeakPolarHBondContact O-CA 3.31Å; Y38-V112 HydrophobicContact CD2-CG2 3.99Å; L82-V112 HydrophobicContact CB-CG2 3.86Å; L82-V112 HydrophobicContact CD1-CG2 4.18Å; L82-V112 PolarHBondContact N-O 2.67Å; L82-V112 PolarHBondContact O-N 2.71Å
113Y95.2Very high87Confident1 Ų150 Ų500%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-108.2143.7172.264.6-85.3000112.3I35 E36 R37 Y38 L44 P45 V46 L47 L71 F80I35-Y113 HydrophobicContact CG2-CD1 3.99Å; E36-Y113 VanDerWaalsContact C-CE1 3.43Å; E36-Y113 WeakPolarHBondContact O-CD1 3.31Å; E36-Y113 WeakPolarHBondContact O-CE1 3.35Å; E36-Y113 PolarHBondContact O-N 3.43Å; R37-Y113 HydrophobicContact CB-CE1 3.99Å; R37-Y113 HydrophobicContact CB-CE2 4.01Å; R37-Y113 WeakPolarHBondContact CB-OH 3.32Å; R37-Y113 HydrophobicContact CG-CD2 4.33Å; R37-Y113 HydrophobicContact CG-CE1 4.5Å; R37-Y113 HydrophobicContact CG-CE2 3.63Å; Y38-Y113 VanDerWaalsContact CB-O 3.31Å; Y38-Y113 WeakPolarHBondContact CB-O 3.47Å; Y38-Y113 PolarHBondContact N-O 3.17Å; L44-Y113 HydrophobicContact CB-CD2 4.36Å; L44-Y113 HydrophobicContact CB-CE2 4.15Å; L44-Y113 HydrophobicContact CD1-CD2 3.93Å; P45-Y113 WeakPolarHBondContact O-CE2 3.37Å; P45-Y113 PolarHBondContact O-OH 3.34Å; P45-Y113 VanDerWaalsContact O-OH 3.05Å; V46-Y113 WeakPolarHBondContact CA-OH 3.33Å; L47-Y113 HydrophobicContact CD1-CD1 4.25Å; L47-Y113 HydrophobicContact CD1-CE1 3.67Å; L47-Y113 HydrophobicContact CG-CE1 3.94Å; L47-Y113 PolarHBondContact N-OH 3.23Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å; L71-Y113 HydrophobicContact CD1-CD2 3.89Å; L71-Y113 HydrophobicContact CD1-CE2 4.02Å; L71-Y113 HydrophobicContact CD1-CG 4.35Å; L71-Y113 HydrophobicContact CD2-CD2 4.44Å; L71-Y113 HydrophobicContact CD2-CE2 3.73Å; F80-Y113 WeakPolarHBondContact O-CA 3.22Å
114A93.6Very high85Confident2 Ų250 Ų502%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-146.1154.517800000110.6Y38 F79 F80 T118Y38-A114 HydrophobicContact CD1-CB 4.46Å; Y38-A114 HydrophobicContact CG-CB 4.36Å; F79-A114 CarbonylContact C-O 3.55Å; F79-A114 VanDerWaalsContact CA-O 3.26Å; F79-A114 WeakPolarHBondContact CA-O 3.24Å; F79-A114 WeakPolarHBondContact CB-O 3.36Å; F80-A114 PolarHBondContact N-O 3.28Å; F80-A114 PolarHBondContact O-N 3.18Å; F80-A114 VanDerWaalsContact O-N 3.11Å; A114-T118 HydrophobicContact CB-CG2 4.23Å
115S92.3Very high82.3Confident1 Ų156.7 Ų56.71%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-72.4166.4172.590.90000110.6E41 E117 T118 F119E41-S115 WeakPolarHBondContact OE2-CB 3.44Å; E41-S115 PolarHBondContact OE2-N 3.44Å; E41-S115 PolarHBondContact OE2-OG 3.4Å; S115-E117 VanDerWaalsContact C-N 3.33Å; S115-E117 VanDerWaalsContact CB-OE2 3.24Å; S115-E117 WeakPolarHBondContact CB-OE2 3.26Å; S115-E117 PolarHBondContact OG-N 2.97Å; S115-E117 PolarHBondContact OG-OE2 3.41Å; S115-T118 PolarHBondContact O-N 2.69Å; S115-T118 PolarHBondContact OG-N 2.65Å; S115-T118 PolarHBondContact OG-OG1 2.99Å; S115-F119 WeakPolarHBondContact O-CB 3.17Å; S115-F119 PolarHBondContact O-N 2.8Å
116Q84.5Confident81.5Confident113 Ų11350.8 Ų50.853%0.52828%0.28SS..Hα-helixtrans-65.1-37.9177.3178.4175.2-11.700112.6A78 F80 F119 G120A78-Q116 HydrophobicContact CB-CB 4.43Å; F80-Q116 HydrophobicContact CE2-CB 3.86Å; F80-Q116 HydrophobicContact CE2-CG 4.02Å; Q116-F119 PolarHBondContact O-N 2.84Å; Q116-G120 PolarHBondContact O-N 3.46Å
117E80.9Confident80.6Confident120 Ų12053.3 Ų53.356%0.56129%0.294SS*.Hα-helixtrans-64.3-45.5177.8-56.577.7-172.600110.8S115 G120 M121S115-E117 VanDerWaalsContact C-N 3.33Å; S115-E117 VanDerWaalsContact CB-OE2 3.24Å; S115-E117 WeakPolarHBondContact CB-OE2 3.26Å; S115-E117 PolarHBondContact OG-N 2.97Å; S115-E117 PolarHBondContact OG-OE2 3.41Å; E117-G120 PolarHBondContact O-N 3.41Å; E117-M121 WeakPolarHBondContact O-CE 3.39Å; E117-M121 WeakPolarHBondContact O-CG 3.39Å; E117-M121 PolarHBondContact O-N 3.09Å; E117-M121 VanDerWaalsContact O-N 3.09Å
118T80Confident79.7Confident15 Ų1555.6 Ų55.69%0.09230%0.303CS..Hα-helixtrans-63.8-42.3176.9-570000111.5Y38 E41 A114 S115 K122Y38-T118 HydrophobicContact CD1-CG2 3.85Å; Y38-T118 HydrophobicContact CE1-CG2 4.19Å; E41-T118 HydrophobicContact CB-CG2 4.36Å; E41-T118 WeakPolarHBondContact OE2-CB 3.41Å; E41-T118 PolarHBondContact OE2-OG1 3.5Å; A114-T118 HydrophobicContact CB-CG2 4.23Å; S115-T118 PolarHBondContact O-N 2.69Å; S115-T118 PolarHBondContact OG-N 2.65Å; S115-T118 PolarHBondContact OG-OG1 2.99Å; T118-K122 PolarHBondContact O-N 3.43Å
119F73.1Confident78.5Confident29 Ų2958.5 Ų58.513%0.12732%0.32CS..Hα-helixtrans-68.4-44.1178.4-173.6-103.8000112.3F80 L82 M88 S115 Q116 M121 K122 L123F80-F119 HydrophobicContact CD2-CB 3.85Å; F80-F119 HydrophobicContact CD2-CD1 4.09Å; F80-F119 HydrophobicContact CD2-CG 4Å; F80-F119 HydrophobicContact CE2-CB 4.29Å; F80-F119 HydrophobicContact CE2-CD1 4.1Å; F80-F119 HydrophobicContact CE2-CG 4.41Å; L82-F119 HydrophobicContact CD1-CD2 4.04Å; L82-F119 HydrophobicContact CD1-CE2 4.06Å; L82-F119 HydrophobicContact CD2-CD2 4.25Å; L82-F119 HydrophobicContact CD2-CE2 3.65Å; L82-F119 HydrophobicContact CD2-CZ 4.4Å; L82-F119 HydrophobicContact CG-CE2 4.44Å; M88-F119 HydrophobicContact CE-CE1 4.2Å; M88-F119 HydrophobicContact CE-CZ 3.99Å; M88-F119 HydrophobicContact SD-CE1 4.19Å; M88-F119 HydrophobicContact SD-CZ 3.97Å; S115-F119 WeakPolarHBondContact O-CB 3.17Å; S115-F119 PolarHBondContact O-N 2.8Å; Q116-F119 PolarHBondContact O-N 2.84Å; F119-M121 VanDerWaalsContact C-N 3.33Å; F119-M121 PolarHBondContact O-N 3.49Å; F119-K122 WeakPolarHBondContact O-CB 3.46Å; F119-K122 PolarHBondContact O-N 3.1Å; F119-K122 VanDerWaalsContact O-N 3.1Å; F119-L123 HydrophobicContact CD1-CD1 4.04Å; F119-L123 HydrophobicContact CE1-CD1 3.42Å; F119-L123 VanDerWaalsContact CE1-CD1 3.42Å; F119-L123 HydrophobicContact CE1-CG 4.25Å; F119-L123 HydrophobicContact CZ-CD1 3.9Å; F119-L123 HydrophobicContact CZ-CG 4.4Å; F119-L123 PolarHBondContact O-N 3.36Å
120G68.2Low77.3Confident31 Ų3162.2 Ų62.232%0.3234%0.339SS..Hα-helixtrans-62.3-36.8178.900000113.3Q116 E117 K122 L123 S124Q116-G120 PolarHBondContact O-N 3.46Å; E117-G120 PolarHBondContact O-N 3.41Å; G120-K122 VanDerWaalsContact C-N 3.31Å; G120-K122 PolarHBondContact O-N 3.41Å; G120-L123 PolarHBondContact O-N 3.39Å; G120-S124 PolarHBondContact O-N 2.8Å; G120-S124 PolarHBondContact O-OG 3.31Å
121M61.9Low75.9Confident126 Ų12664.7 Ų64.762%0.62136%0.356SS*.Hα-helixtrans-63.1-33.7173.2-80.2-172.7-80.900112.9E117 F119 V125E117-M121 WeakPolarHBondContact O-CE 3.39Å; E117-M121 WeakPolarHBondContact O-CG 3.39Å; E117-M121 PolarHBondContact O-N 3.09Å; E117-M121 VanDerWaalsContact O-N 3.09Å; F119-M121 VanDerWaalsContact C-N 3.33Å; F119-M121 PolarHBondContact O-N 3.49Å; M121-V125 WeakPolarHBondContact O-CG2 3.48Å
122K61.8Low74.4Confident90 Ų9069.1 Ų69.139%0.39138%0.38SS..Hα-helixtrans-71.4-33.6178.4-168.9-166.3174.7-166.90112.8T118 F119 G120 S124 V125T118-K122 PolarHBondContact O-N 3.43Å; F119-K122 WeakPolarHBondContact O-CB 3.46Å; F119-K122 PolarHBondContact O-N 3.1Å; F119-K122 VanDerWaalsContact O-N 3.1Å; G120-K122 VanDerWaalsContact C-N 3.31Å; G120-K122 PolarHBondContact O-N 3.41Å; K122-S124 VanDerWaalsContact C-N 3.33Å; K122-V125 WeakPolarHBondContact O-CG2 3.36Å
123L58.1Low72.8Confident128 Ų12872.2 Ų72.267%0.6740%0.396SS*.Hα-helixtrans-81.1-15.4179.9-70.9175.6000113.4F119 G120F119-L123 HydrophobicContact CD1-CD1 4.04Å; F119-L123 HydrophobicContact CE1-CD1 3.42Å; F119-L123 VanDerWaalsContact CE1-CD1 3.42Å; F119-L123 HydrophobicContact CE1-CG 4.25Å; F119-L123 HydrophobicContact CZ-CD1 3.9Å; F119-L123 HydrophobicContact CZ-CG 4.4Å; F119-L123 PolarHBondContact O-N 3.36Å; G120-L123 PolarHBondContact O-N 3.39Å
124S53.9Low70.9Confident104 Ų10478.2 Ų78.273%0.72743%0.429SS*.THydrogen-bonded Turntrans-96.75.3-176.9-52.60000113.1G120 K122G120-S124 PolarHBondContact O-N 2.8Å; G120-S124 PolarHBondContact O-OG 3.31Å; K122-S124 VanDerWaalsContact C-N 3.33Å
125V42.4Very low68.8Low179 Ų17985.1 Ų85.1100%1.08547%0.466SS*.  trans-1190177.3-74.50000111.9M121 K122M121-V125 WeakPolarHBondContact O-CG2 3.48Å; K122-V125 WeakPolarHBondContact O-CG2 3.36Å

Retrieved 125 of 125 residues in 212.9 ms (Link to these results)

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