A0A024R861_HUMAN Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A5F4DER7), UniProt , Accession A0A024R861, Species HUMAN (Homo sapiens, Human), Gene PPP6C, Length 305 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
1M59Low88.8Confident230 Ų23083.7 Ų83.7100%1.13345%0.454SS*.  0146.30-86.8179-113.900108.2
2A70.6Confident89.5Confident71 Ų7179.9 Ų79.959%0.58743%0.432SS*.PPolyproline II helixtrans-60.4148.7170.300000109.9R26A2-R26 PolarHBondContact O-NH2 2.96Å
3P81.1Confident90Very high116 Ų11673.8 Ų73.875%0.75340%0.399SS*.PPolyproline II helixtrans-60.2158.8172.923.1-30.8000111.5R26P3-R26 VanDerWaalsContact C-NH2 3.33Å; P3-R26 PolarHBondContact O-NH2 2.83Å
4L89.9Confident90.3Very high51 Ų5178.6 Ų78.627%0.26741%0.409SS..PPolyproline II helixtrans-71.4136.1170.2-83.187000109.1L6 Y9 R26 Y30L4-L6 HydrophobicContact CB-CD2 3.95Å; L4-L6 HydrophobicContact CB-CG 4.22Å; L4-L6 HydrophobicContact CD2-CD2 3.94Å; L4-L6 PolarHBondContact O-N 2.94Å; L4-Y9 HydrophobicContact CD2-CE2 3.9Å; L4-Y9 HydrophobicContact CG-CE2 4.4Å; L4-R26 HydrophobicContact CD2-CB 4.44Å; L4-Y30 HydrophobicContact CD2-CD1 4.46Å; L4-Y30 HydrophobicContact CD2-CG 4.32Å
5D94.5Very high90.7Very high82 Ų8279.7 Ų79.744%0.43941%0.414SS..  trans-96.381173.7-172.3-13.2000109.1D7 K8 Y9D5-D7 VanDerWaalsContact C-N 3.3Å; D5-D7 PolarHBondContact O-N 2.77Å; D5-K8 HydrophobicContact CB-CB 4.07Å; D5-K8 PolarHBondContact O-N 2.87Å; D5-K8 WeakPolarHBondContact OD1-CB 3.28Å; D5-K8 PolarHBondContact OD1-N 3.15Å; D5-K8 VanDerWaalsContact OD1-N 3.12Å; D5-K8 WeakPolarHBondContact OD2-CB 3.41Å; D5-Y9 VanDerWaalsContact O-CD1 3.28Å; D5-Y9 WeakPolarHBondContact O-CD1 3.34Å; D5-Y9 PolarHBondContact O-N 2.74Å; D5-Y9 VanDerWaalsContact O-N 3.07Å
6L96.5Very high91.1Very high29 Ų2976 Ų7615%0.15240%0.397CS..Hα-helixtrans-68.6-29.4-173.8-61.3178.4000112.5L4 Y9 V10 L27 Y30 A101 K102L4-L6 HydrophobicContact CB-CD2 3.95Å; L4-L6 HydrophobicContact CB-CG 4.22Å; L4-L6 HydrophobicContact CD2-CD2 3.94Å; L4-L6 PolarHBondContact O-N 2.94Å; L6-Y9 HydrophobicContact CD2-CD2 4.32Å; L6-Y9 PolarHBondContact O-N 3.24Å; L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 WeakPolarHBondContact O-CG2 3.43Å; L6-V10 PolarHBondContact O-N 2.73Å; L6-L27 HydrophobicContact CD2-CD1 4.41Å; L6-Y30 HydrophobicContact CD1-CE1 4.31Å; L6-A101 HydrophobicContact CD1-CB 4.23Å; L6-A101 WeakPolarHBondContact CD1-O 3.19Å; L6-A101 HydrophobicContact CD2-CB 3.77Å; L6-K102 HydrophobicContact CB-CB 4.24Å; L6-K102 HydrophobicContact CB-CG 4.33Å; L6-K102 HydrophobicContact CD1-CB 4.43Å
7D96.6Very high91.3Very high102 Ų10278.6 Ų78.655%0.54541%0.405SS..Hα-helixtrans-60.2-50.8172.3-77.9-70.8000110.9D5 Y9 V10 E11 K102D5-D7 VanDerWaalsContact C-N 3.3Å; D5-D7 PolarHBondContact O-N 2.77Å; D7-Y9 VanDerWaalsContact C-N 3.32Å; D7-Y9 PolarHBondContact O-N 3.31Å; D7-V10 PolarHBondContact O-N 2.57Å; D7-E11 PolarHBondContact O-N 2.86Å; D7-K102 WeakPolarHBondContact OD1-CE 3.42Å; D7-K102 IonicContact OD1-NZ 2.73Å; D7-K102 PolarHBondContact OD1-NZ 3.2Å; D7-K102 IonicContact OD2-NZ 2.8Å; D7-K102 PolarHBondContact OD2-NZ 2.74Å
8K96.9Very high91.5Very high96 Ų9679.6 Ų79.642%0.41740%0.403SS..Hα-helixtrans-60.3-41.5176.6-178.6-175.4177.5-169.20112.1D5 E11 I12D5-K8 HydrophobicContact CB-CB 4.07Å; D5-K8 PolarHBondContact O-N 2.87Å; D5-K8 WeakPolarHBondContact OD1-CB 3.28Å; D5-K8 PolarHBondContact OD1-N 3.15Å; D5-K8 VanDerWaalsContact OD1-N 3.12Å; D5-K8 WeakPolarHBondContact OD2-CB 3.41Å; K8-E11 PolarHBondContact O-N 2.78Å; K8-I12 HydrophobicContact CD-CD1 4.49Å; K8-I12 HydrophobicContact CG-CD1 3.86Å; K8-I12 HydrophobicContact CG-CG1 4.46Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.39Å; K8-I12 PolarHBondContact O-N 3.35Å
9Y97.5Very high91.8Very high3 Ų375.4 Ų75.41%0.01238%0.382CS..Hα-helixtrans-65-43.6-179.3-69.54.2000111.7L4 D5 L6 D7 I12 A13 L19 D23 L27L4-Y9 HydrophobicContact CD2-CE2 3.9Å; L4-Y9 HydrophobicContact CG-CE2 4.4Å; D5-Y9 VanDerWaalsContact O-CD1 3.28Å; D5-Y9 WeakPolarHBondContact O-CD1 3.34Å; D5-Y9 PolarHBondContact O-N 2.74Å; D5-Y9 VanDerWaalsContact O-N 3.07Å; L6-Y9 HydrophobicContact CD2-CD2 4.32Å; L6-Y9 PolarHBondContact O-N 3.24Å; D7-Y9 VanDerWaalsContact C-N 3.32Å; D7-Y9 PolarHBondContact O-N 3.31Å; Y9-I12 PolarHBondContact O-N 3.26Å; Y9-A13 VanDerWaalsContact O-CB 3.28Å; Y9-A13 WeakPolarHBondContact O-CB 3.5Å; Y9-A13 PolarHBondContact O-N 3.05Å; Y9-L19 HydrophobicContact CD1-CD1 4.32Å; Y9-L19 HydrophobicContact CD1-CD2 3.97Å; Y9-L19 HydrophobicContact CD2-CD1 3.93Å; Y9-L19 HydrophobicContact CE2-CD1 4.38Å; Y9-L19 HydrophobicContact CG-CD1 3.9Å; Y9-L19 HydrophobicContact CG-CD2 4.12Å; Y9-D23 HydrophobicContact CE1-CB 3.79Å; Y9-D23 HydrophobicContact CE2-CB 4.44Å; Y9-D23 WeakPolarHBondContact OH-CB 3.29Å; Y9-D23 PolarHBondContact OH-OD1 2.97Å; Y9-L27 HydrophobicContact CD2-CB 4.2Å; Y9-L27 HydrophobicContact CD2-CD1 4.32Å; Y9-L27 HydrophobicContact CD2-CD2 4.38Å; Y9-L27 HydrophobicContact CE2-CB 4.11Å
10V97.4Very high92.1Very high18 Ų1875.3 Ų75.311%0.10939%0.386CS..Hα-helixtrans-61.8-43.9174.6169.10000110.8L6 D7 A13 R14 Y95 A98 L99 K102L6-V10 WeakPolarHBondContact O-CB 3.48Å; L6-V10 WeakPolarHBondContact O-CG2 3.43Å; L6-V10 PolarHBondContact O-N 2.73Å; D7-V10 PolarHBondContact O-N 2.57Å; V10-A13 PolarHBondContact O-N 2.86Å; V10-R14 VanDerWaalsContact O-CB 3.24Å; V10-R14 WeakPolarHBondContact O-CB 3.3Å; V10-R14 PolarHBondContact O-N 2.84Å; V10-Y95 HydrophobicContact CG1-CE2 4.23Å; V10-A98 HydrophobicContact CG2-CB 3.76Å; V10-L99 HydrophobicContact CG1-CD2 4.3Å; V10-L99 HydrophobicContact CG2-CD2 4.39Å; V10-K102 HydrophobicContact CG2-CB 4.43Å; V10-K102 HydrophobicContact CG2-CD 3.86Å
11E96.8Very high92.3Very high123 Ų12374 Ų7458%0.57538%0.379SS*.Hα-helixtrans-61.2-47178.7-171.9-175.3176.200112.1D7 K8 L15D7-E11 PolarHBondContact O-N 2.86Å; K8-E11 PolarHBondContact O-N 2.78Å; E11-L15 WeakPolarHBondContact O-CG 3.42Å
12I96.8Very high94.1Very high38 Ų3868.7 Ų68.720%0.19536%0.355CS..Hα-helixtrans-62.5-51.4178.1-67.6168.6000110.3K8 Y9 R14 L15 K17 L19K8-I12 HydrophobicContact CD-CD1 4.49Å; K8-I12 HydrophobicContact CG-CD1 3.86Å; K8-I12 HydrophobicContact CG-CG1 4.46Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.39Å; K8-I12 PolarHBondContact O-N 3.35Å; Y9-I12 PolarHBondContact O-N 3.26Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.49Å; I12-L15 PolarHBondContact O-N 3.14Å; I12-L15 VanDerWaalsContact O-N 3.1Å; I12-K17 HydrophobicContact CG2-CB 3.72Å; I12-K17 PolarHBondContact O-N 2.84Å; I12-L19 HydrophobicContact CB-CD2 3.98Å; I12-L19 HydrophobicContact CD1-CD2 4.07Å; I12-L19 HydrophobicContact CG2-CD2 3.89Å
13A95.9Very high95.4Very high0 Ų066.7 Ų66.70%033%0.334CS..Hα-helixtrans-63.5-38.7-175.600000112Y9 V10 L15 C16 F58 T94 Y95Y9-A13 VanDerWaalsContact O-CB 3.28Å; Y9-A13 WeakPolarHBondContact O-CB 3.5Å; Y9-A13 PolarHBondContact O-N 3.05Å; V10-A13 PolarHBondContact O-N 2.86Å; A13-L15 PolarHBondContact O-N 3.2Å; A13-L15 VanDerWaalsContact O-N 3.15Å; A13-C16 PolarHBondContact O-N 2.97Å; A13-F58 VanDerWaalsContact O-CE2 3.31Å; A13-F58 WeakPolarHBondContact O-CE2 3.23Å; A13-F58 WeakPolarHBondContact O-CZ 3.09Å; A13-T94 HydrophobicContact CB-CG2 4.37Å; A13-Y95 HydrophobicContact CB-CD2 3.88Å; A13-Y95 HydrophobicContact CB-CG 4.28Å
14R95.3Very high96.2Very high142 Ų14261.1 Ų61.154%0.53630%0.298SS..Hα-helixtrans-60-25.1176.3-167.2-177.677.1159.31.7113.1V10 I12 C16 Y95V10-R14 VanDerWaalsContact O-CB 3.24Å; V10-R14 WeakPolarHBondContact O-CB 3.3Å; V10-R14 PolarHBondContact O-N 2.84Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.49Å; R14-C16 PolarHBondContact O-N 3.46Å; R14-Y95 HydrophobicContact CB-CE2 3.95Å; R14-Y95 HydrophobicContact CG-CE2 4.37Å
15L96.1Very high96.7Very high95 Ų9562.2 Ų62.250%0.49730%0.301SS..THydrogen-bonded Turntrans-87.716.8178.4-63.7174.7000113.3E11 I12 A13 K17E11-L15 WeakPolarHBondContact O-CG 3.42Å; I12-L15 PolarHBondContact O-N 3.14Å; I12-L15 VanDerWaalsContact O-N 3.1Å; A13-L15 PolarHBondContact O-N 3.2Å; A13-L15 VanDerWaalsContact O-N 3.15Å; L15-K17 HydrophobicContact CB-CD 4.42Å; L15-K17 HydrophobicContact CB-CG 4.4Å; L15-K17 PolarHBondContact O-N 3.39Å
16C96.4Very high96.8Very high20 Ų2061.6 Ų61.614%0.13529%0.293CS..THydrogen-bonded Turntrans56.739.4-174.8-1630000112.1A13 R14 F58 Y88A13-C16 PolarHBondContact O-N 2.97Å; R14-C16 PolarHBondContact O-N 3.46Å; C16-F58 HydrophobicContact CB-CD1 3.57Å; C16-F58 HydrophobicContact CB-CE1 3.43Å; C16-F58 VanDerWaalsContact CB-CE1 3.43Å; C16-F58 HydrophobicContact CB-CG 4.33Å; C16-F58 HydrophobicContact CB-CZ 4.07Å; C16-F58 VanDerWaalsContact SG-CD1 3.56Å; C16-Y88 WeakPolarHBondContact SG-CD1 3.03Å
17K95.5Very high96.9Very high121 Ų12160.2 Ų60.253%0.52629%0.285SS..  trans-116.5142.8175-64.4178.8-178.5176.80109.7I12 L15I12-K17 HydrophobicContact CG2-CB 3.72Å; I12-K17 PolarHBondContact O-N 2.84Å; L15-K17 HydrophobicContact CB-CD 4.42Å; L15-K17 HydrophobicContact CB-CG 4.4Å; L15-K17 PolarHBondContact O-N 3.39Å
18Y93.9Very high97Very high95 Ų9555.4 Ų55.437%0.37326%0.26SS..PPolyproline II helixtrans-88.4151.1173.858.2-89.3000111.6L90 K132 Y133Y18-L90 HydrophobicContact CD1-CD2 4.42Å; Y18-L90 HydrophobicContact CD2-CD2 4.44Å; Y18-L90 HydrophobicContact CG-CD2 3.92Å; Y18-K132 HydrophobicContact CD1-CB 4.49Å; Y18-K132 HydrophobicContact CD1-CD 4Å; Y18-K132 HydrophobicContact CD1-CG 4.47Å; Y18-K132 HydrophobicContact CE1-CB 4.11Å; Y18-K132 HydrophobicContact CE1-CD 4.13Å; Y18-K132 HydrophobicContact CE1-CG 4.12Å; Y18-K132 HydrophobicContact CE2-CB 4.35Å; Y18-K132 PolarHBondContact OH-O 3.12Å; Y18-K132 VanDerWaalsContact OH-O 3.12Å; Y18-Y133 AromaticContact CD2-CE1 3.92Å; Y18-Y133 HydrophobicContact CD2-CE1 3.92Å; Y18-Y133 HydrophobicContact CD2-CE2 4.17Å; Y18-Y133 AromaticContact CD2-CZ 3.62Å; Y18-Y133 HydrophobicContact CE2-CE1 4.22Å
19L97.3Very high97.1Very high1 Ų152.8 Ų52.81%0.00525%0.25CC..PPolyproline II helixtrans-74.1155.4-178.9-61.1176.3000111.3Y9 I12 D23 L24 L27 T94 Y133Y9-L19 HydrophobicContact CD1-CD1 4.32Å; Y9-L19 HydrophobicContact CD1-CD2 3.97Å; Y9-L19 HydrophobicContact CD2-CD1 3.93Å; Y9-L19 HydrophobicContact CE2-CD1 4.38Å; Y9-L19 HydrophobicContact CG-CD1 3.9Å; Y9-L19 HydrophobicContact CG-CD2 4.12Å; I12-L19 HydrophobicContact CB-CD2 3.98Å; I12-L19 HydrophobicContact CD1-CD2 4.07Å; I12-L19 HydrophobicContact CG2-CD2 3.89Å; L19-D23 HydrophobicContact CB-CB 4.19Å; L19-L24 HydrophobicContact CB-CB 4.32Å; L19-L27 HydrophobicContact CD1-CD2 3.79Å; L19-T94 HydrophobicContact CD1-CG2 3.7Å; L19-T94 HydrophobicContact CG-CG2 3.79Å; L19-Y133 VanDerWaalsContact O-CE1 3.3Å; L19-Y133 WeakPolarHBondContact O-CE1 3.37Å; L19-Y133 PolarHBondContact O-OH 3.31Å
20P97.1Very high97.1Very high73 Ų7356.7 Ų56.747%0.47427%0.265SS..PPolyproline II helixtrans-51.1144.7163.1-24.834.7000111.4N22 D23 L24P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.05Å; P20-N22 VanDerWaalsContact O-N 3.16Å; P20-D23 HydrophobicContact CB-CB 4.33Å; P20-D23 WeakPolarHBondContact O-CA 3.26Å; P20-D23 WeakPolarHBondContact O-CB 3.45Å; P20-D23 PolarHBondContact O-N 2.8Å; P20-L24 PolarHBondContact O-N 2.99Å
21E97.6Very high97.2Very high48 Ų4855.9 Ų55.922%0.22426%0.26CS..Hα-helixtrans-54.2-42.5-171.5-173.6177.3136.100113D23 L24 K25 Y133 N135 N137 Y141E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 2.8Å; E21-K25 WeakPolarHBondContact O-CB 3.44Å; E21-K25 PolarHBondContact O-N 2.82Å; E21-Y133 HydrophobicContact CB-CD1 3.82Å; E21-Y133 HydrophobicContact CB-CE1 3.9Å; E21-Y133 HydrophobicContact CG-CD1 4.27Å; E21-N135 PolarHBondContact OE2-ND2 3.17Å; E21-N137 WeakPolarHBondContact OE1-CB 3.31Å; E21-N137 PolarHBondContact OE1-ND2 3.02Å; E21-Y141 HydrophobicContact CG-CE2 4.08Å
22N96.9Very high97.3Very high118 Ų11850.4 Ų50.463%0.63124%0.236SC*.Hα-helixtrans-65.9-35177.3-73.6-30.4000112.9P20 R26P20-N22 VanDerWaalsContact C-N 3.28Å; P20-N22 PolarHBondContact O-N 3.05Å; P20-N22 VanDerWaalsContact O-N 3.16Å; N22-R26 VanDerWaalsContact O-CG 3.25Å; N22-R26 WeakPolarHBondContact O-CG 3.11Å; N22-R26 PolarHBondContact O-N 2.95Å; N22-R26 VanDerWaalsContact O-N 3.08Å
23D97.8Very high97.3Very high29 Ų2953.5 Ų53.516%0.15525%0.253CS..Hα-helixtrans-72.8-40.7178.5-73.3-15.2000110.4Y9 L19 P20 E21 R26 L27Y9-D23 HydrophobicContact CE1-CB 3.79Å; Y9-D23 HydrophobicContact CE2-CB 4.44Å; Y9-D23 WeakPolarHBondContact OH-CB 3.29Å; Y9-D23 PolarHBondContact OH-OD1 2.97Å; L19-D23 HydrophobicContact CB-CB 4.19Å; P20-D23 HydrophobicContact CB-CB 4.33Å; P20-D23 WeakPolarHBondContact O-CA 3.26Å; P20-D23 WeakPolarHBondContact O-CB 3.45Å; P20-D23 PolarHBondContact O-N 2.8Å; E21-D23 VanDerWaalsContact C-N 3.34Å; E21-D23 PolarHBondContact O-N 3.12Å; D23-R26 PolarHBondContact O-N 3.24Å; D23-R26 IonicContact OD1-NH1 3.74Å; D23-L27 WeakPolarHBondContact O-CB 3.29Å; D23-L27 PolarHBondContact O-N 2.68Å
24L98.6Very high97.5Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-58.9-48.3170.9177.164.3000111L19 P20 E21 R26 L27 C28 L90 T94 Y133 A138L19-L24 HydrophobicContact CB-CB 4.32Å; P20-L24 PolarHBondContact O-N 2.99Å; E21-L24 PolarHBondContact O-N 2.8Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 2.93Å; L24-L27 WeakPolarHBondContact O-CB 3.36Å; L24-L27 PolarHBondContact O-N 2.9Å; L24-L27 VanDerWaalsContact O-N 3.17Å; L24-C28 PolarHBondContact O-N 2.91Å; L24-C28 PolarHBondContact O-SG 3.22Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; L24-L90 HydrophobicContact CD2-CD1 4.14Å; L24-T94 HydrophobicContact CD1-CG2 4.39Å; L24-Y133 HydrophobicContact CD2-CE2 4.02Å; L24-A138 HydrophobicContact CD2-CB 3.63Å
25K98.4Very high97.6Very high74 Ų7448.7 Ų48.732%0.32224%0.237SC..Hα-helixtrans-55.4-48177.7-173.6-173.2179.5-61.60111.4E21 L27 C28 D29 Y141E21-K25 WeakPolarHBondContact O-CB 3.44Å; E21-K25 PolarHBondContact O-N 2.82Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.88Å; K25-C28 PolarHBondContact O-N 3.48Å; K25-D29 IonicContact NZ-OD2 3.21Å; K25-D29 PolarHBondContact NZ-OD2 2.98Å; K25-D29 PolarHBondContact O-N 3.19Å; K25-Y141 HydrophobicContact CB-CD2 3.74Å; K25-Y141 HydrophobicContact CB-CE2 3.61Å; K25-Y141 HydrophobicContact CB-CG 4.28Å; K25-Y141 HydrophobicContact CD-CE1 4Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.08Å; K25-Y141 HydrophobicContact CG-CD2 4.07Å; K25-Y141 HydrophobicContact CG-CE1 3.89Å; K25-Y141 HydrophobicContact CG-CE2 3.86Å; K25-Y141 HydrophobicContact CG-CG 4.18Å
26R98.1Very high97.6Very high69 Ų6949.3 Ų49.326%0.2624%0.24SC..Hα-helixtrans-63.1-40.1179.3-72.4172.168.9-151.3-1.1111.8A2 P3 L4 N22 D23 L24 Y30A2-R26 PolarHBondContact O-NH2 2.96Å; P3-R26 VanDerWaalsContact C-NH2 3.33Å; P3-R26 PolarHBondContact O-NH2 2.83Å; L4-R26 HydrophobicContact CD2-CB 4.44Å; N22-R26 VanDerWaalsContact O-CG 3.25Å; N22-R26 WeakPolarHBondContact O-CG 3.11Å; N22-R26 PolarHBondContact O-N 2.95Å; N22-R26 VanDerWaalsContact O-N 3.08Å; D23-R26 PolarHBondContact O-N 3.24Å; D23-R26 IonicContact OD1-NH1 3.74Å; L24-R26 VanDerWaalsContact C-N 3.31Å; L24-R26 PolarHBondContact O-N 2.93Å; R26-Y30 WeakPolarHBondContact O-CB 3.49Å; R26-Y30 PolarHBondContact O-N 2.92Å
27L98.6Very high97.7Very high0 Ų056.2 Ų56.20%027%0.271CS..Hα-helixtrans-62.3-48.5174.7177.561.2000111.2L6 Y9 L19 D23 L24 K25 D29 Y30 V31 T94 L97 A98 A101L6-L27 HydrophobicContact CD2-CD1 4.41Å; Y9-L27 HydrophobicContact CD2-CB 4.2Å; Y9-L27 HydrophobicContact CD2-CD1 4.32Å; Y9-L27 HydrophobicContact CD2-CD2 4.38Å; Y9-L27 HydrophobicContact CE2-CB 4.11Å; L19-L27 HydrophobicContact CD1-CD2 3.79Å; D23-L27 WeakPolarHBondContact O-CB 3.29Å; D23-L27 PolarHBondContact O-N 2.68Å; L24-L27 WeakPolarHBondContact O-CB 3.36Å; L24-L27 PolarHBondContact O-N 2.9Å; L24-L27 VanDerWaalsContact O-N 3.17Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.88Å; L27-D29 PolarHBondContact O-N 2.86Å; L27-Y30 PolarHBondContact O-N 3.03Å; L27-V31 HydrophobicContact CD1-CG2 4.06Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.5Å; L27-T94 HydrophobicContact CD2-CG2 4.21Å; L27-L97 HydrophobicContact CD2-CB 3.96Å; L27-L97 HydrophobicContact CG-CB 4.17Å; L27-A98 HydrophobicContact CD2-CB 4.25Å; L27-A101 HydrophobicContact CD1-CB 3.61Å
28C98.8Very high97.8Very high1 Ų151.6 Ų51.61%0.00725%0.251CS..Hα-helixtrans-59.8-46.9178-70.20000112.2L24 K25 Y30 V31 C32 V145L24-C28 PolarHBondContact O-N 2.91Å; L24-C28 PolarHBondContact O-SG 3.22Å; L24-C28 VanDerWaalsContact O-SG 3.39Å; K25-C28 PolarHBondContact O-N 3.48Å; C28-Y30 VanDerWaalsContact C-N 3.35Å; C28-Y30 PolarHBondContact O-N 3.15Å; C28-V31 PolarHBondContact O-N 3.04Å; C28-C32 PolarHBondContact O-N 3.03Å; C28-C32 PolarHBondContact O-SG 2.8Å; C28-C32 VanDerWaalsContact O-SG 3.39Å; C28-V145 HydrophobicContact CB-CG2 3.56Å
29D98.4Very high98Very high40 Ų4049.3 Ų49.321%0.21425%0.249CC..Hα-helixtrans-61.5-43.5178.1-73.8-34.9000111.2K25 L27 V31 C32 D33 K144K25-D29 IonicContact NZ-OD2 3.21Å; K25-D29 PolarHBondContact NZ-OD2 2.98Å; K25-D29 PolarHBondContact O-N 3.19Å; L27-D29 PolarHBondContact O-N 2.86Å; D29-V31 PolarHBondContact O-N 2.9Å; D29-C32 WeakPolarHBondContact O-CB 3.38Å; D29-C32 PolarHBondContact O-N 2.87Å; D29-D33 PolarHBondContact O-N 2.67Å; D29-D33 VanDerWaalsContact O-N 3.12Å; D29-K144 IonicContact OD1-NZ 2.85Å; D29-K144 PolarHBondContact OD1-NZ 3.23Å
30Y98.5Very high98Very high86 Ų8649.9 Ų49.934%0.33725%0.252SS..Hα-helixtrans-64.3-40.2177-177.8-109.3000113L4 L6 R26 L27 C28 D33 L34 A101L4-Y30 HydrophobicContact CD2-CD1 4.46Å; L4-Y30 HydrophobicContact CD2-CG 4.32Å; L6-Y30 HydrophobicContact CD1-CE1 4.31Å; R26-Y30 WeakPolarHBondContact O-CB 3.49Å; R26-Y30 PolarHBondContact O-N 2.92Å; L27-Y30 PolarHBondContact O-N 3.03Å; C28-Y30 VanDerWaalsContact C-N 3.35Å; C28-Y30 PolarHBondContact O-N 3.15Å; Y30-D33 PolarHBondContact O-N 2.91Å; Y30-L34 HydrophobicContact CD1-CD1 4.13Å; Y30-L34 HydrophobicContact CE1-CD1 3.74Å; Y30-L34 HydrophobicContact CE1-CG 4.31Å; Y30-L34 PolarHBondContact O-N 3.45Å; Y30-L34 VanDerWaalsContact O-N 3.13Å; Y30-A101 HydrophobicContact CD1-CB 3.73Å; Y30-A101 HydrophobicContact CE1-CB 3.85Å
31V98.7Very high98.1Very high0 Ų046.6 Ų46.60%023%0.231CC..Hα-helixtrans-70.5-34.6176.4177.10000111.5L27 C28 D29 D33 L34 L35 L97 K100 A101 V145L27-V31 HydrophobicContact CD1-CG2 4.06Å; L27-V31 WeakPolarHBondContact O-CG2 3.47Å; L27-V31 PolarHBondContact O-N 3.5Å; C28-V31 PolarHBondContact O-N 3.04Å; D29-V31 PolarHBondContact O-N 2.9Å; V31-D33 VanDerWaalsContact C-N 3.28Å; V31-D33 PolarHBondContact O-N 2.88Å; V31-L34 PolarHBondContact O-N 3.42Å; V31-L35 HydrophobicContact CG1-CD1 3.77Å; V31-L35 HydrophobicContact CG1-CG 3.94Å; V31-L35 WeakPolarHBondContact O-CB 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.28Å; V31-L97 HydrophobicContact CB-CD2 4.33Å; V31-L97 HydrophobicContact CG1-CD2 3.81Å; V31-L97 HydrophobicContact CG2-CB 4.31Å; V31-L97 HydrophobicContact CG2-CD2 4.36Å; V31-K100 HydrophobicContact CG1-CG 4.09Å; V31-A101 HydrophobicContact CG2-CB 3.94Å; V31-V145 HydrophobicContact CG1-CG1 4.15Å
32C98.6Very high98.1Very high8 Ų846 Ų465%0.05423%0.228CC..Hα-helixtrans-56.7-43.4170.1-78.20000111.6C28 D29 L34 L35 L36 M148C28-C32 PolarHBondContact O-N 3.03Å; C28-C32 PolarHBondContact O-SG 2.8Å; C28-C32 VanDerWaalsContact O-SG 3.39Å; D29-C32 WeakPolarHBondContact O-CB 3.38Å; D29-C32 PolarHBondContact O-N 2.87Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L35 PolarHBondContact O-N 2.92Å; C32-L36 WeakPolarHBondContact O-CB 3.41Å; C32-L36 PolarHBondContact O-N 3.22Å; C32-M148 HydrophobicContact CB-CG 4.42Å
33D97.9Very high98.2Very high104 Ų10444.8 Ų44.856%0.55623%0.226SC*.Hα-helixtrans-63.3-40.6177.7-64.3-20.8000111.4D29 Y30 V31 L36D29-D33 PolarHBondContact O-N 2.67Å; D29-D33 VanDerWaalsContact O-N 3.12Å; Y30-D33 PolarHBondContact O-N 2.91Å; V31-D33 VanDerWaalsContact C-N 3.28Å; V31-D33 PolarHBondContact O-N 2.88Å; D33-L36 PolarHBondContact O-N 2.79Å
34L98.3Very high98.3Very high40 Ų4044.2 Ų44.221%0.20922%0.224CC..Hα-helixtrans-64-47.6174.5-67.9173.3000112Y30 V31 C32 L36 E37 P104Y30-L34 HydrophobicContact CD1-CD1 4.13Å; Y30-L34 HydrophobicContact CE1-CD1 3.74Å; Y30-L34 HydrophobicContact CE1-CG 4.31Å; Y30-L34 PolarHBondContact O-N 3.45Å; Y30-L34 VanDerWaalsContact O-N 3.13Å; V31-L34 PolarHBondContact O-N 3.42Å; C32-L34 VanDerWaalsContact C-N 3.35Å; L34-L36 PolarHBondContact O-N 2.89Å; L34-E37 PolarHBondContact O-N 2.81Å; L34-P104 HydrophobicContact CD1-CB 4.3Å; L34-P104 HydrophobicContact CD2-CB 4.36Å
35L98.4Very high98.2Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-67.6-25.2-178.5-69.8174.1000112.1V31 C32 E37 E38 V145 M148 L149 R181V31-L35 HydrophobicContact CG1-CD1 3.77Å; V31-L35 HydrophobicContact CG1-CG 3.94Å; V31-L35 WeakPolarHBondContact O-CB 3.44Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 3.28Å; C32-L35 PolarHBondContact O-N 2.92Å; L35-E37 PolarHBondContact O-N 2.85Å; L35-E38 VanDerWaalsContact CD2-OE2 3.3Å; L35-E38 WeakPolarHBondContact CD2-OE2 3.21Å; L35-E38 PolarHBondContact O-N 2.75Å; L35-E38 VanDerWaalsContact O-N 3.17Å; L35-V145 HydrophobicContact CD1-CG1 3.79Å; L35-M148 HydrophobicContact CB-CB 3.77Å; L35-M148 HydrophobicContact CD1-CB 3.9Å; L35-L149 HydrophobicContact CD1-CD2 4.04Å; L35-R181 PolarHBondContact O-NH2 3.47Å
36L96.9Very high98.2Very high108 Ų10846.2 Ų46.257%0.56525%0.246SC*.Hα-helixtrans-61-32.7175.5-176.863.8000112.2C32 D33 L34 E38 M148C32-L36 WeakPolarHBondContact O-CB 3.41Å; C32-L36 PolarHBondContact O-N 3.22Å; D33-L36 PolarHBondContact O-N 2.79Å; L34-L36 PolarHBondContact O-N 2.89Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-M148 HydrophobicContact CB-CE 3.7Å; L36-M148 HydrophobicContact CD1-CE 3.53Å; L36-M148 HydrophobicContact CG-CE 4.22Å
37E96.8Very high98.3Very high166 Ų16647 Ų4778%0.77626%0.26SS*.THydrogen-bonded Turntrans-83.3-9179.3-58.5-62.114400112.9L34 L35L34-E37 PolarHBondContact O-N 2.81Å; L35-E37 PolarHBondContact O-N 2.85Å
38E97.9Very high98.3Very high24 Ų2447 Ų4711%0.11226%0.26CS..SBendtrans-85.7144.4-178.9-63.6-161.3149.600113L35 L36 K100 T150 R181L35-E38 VanDerWaalsContact CD2-OE2 3.3Å; L35-E38 WeakPolarHBondContact CD2-OE2 3.21Å; L35-E38 PolarHBondContact O-N 2.75Å; L35-E38 VanDerWaalsContact O-N 3.17Å; L36-E38 VanDerWaalsContact C-N 3.34Å; E38-K100 WeakPolarHBondContact OE1-CE 3.42Å; E38-K100 IonicContact OE1-NZ 2.81Å; E38-K100 PolarHBondContact OE1-NZ 3.37Å; E38-K100 IonicContact OE2-NZ 2.69Å; E38-T150 HydrophobicContact CB-CG2 3.69Å; E38-T150 VanDerWaalsContact OE2-CG2 3.31Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.25Å; E38-R181 PolarHBondContact O-NH1 2.87Å; E38-R181 PolarHBondContact O-NH2 3.04Å
39S97.6Very high98.3Very high46 Ų4647.2 Ų47.232%0.32226%0.261SS..  trans-74.7154.8176.4-1690000111.2V41 T150 R181S39-V41 PolarHBondContact O-N 3.46Å; S39-V41 PolarHBondContact OG-N 3.42Å; S39-T150 WeakPolarHBondContact O-CG2 3.48Å; S39-R181 PolarHBondContact O-NH1 2.95Å
40N98.4Very high98.3Very high14 Ų1445.3 Ų45.38%0.07525%0.251CS..SBendtrans-59-30.3169.9-78.6-26.3000112.2V151 A152 R177 I179 R181N40-V151 HydrophobicContact CB-CG2 4.41Å; N40-V151 PolarHBondContact O-N 3.22Å; N40-A152 PolarHBondContact O-N 3Å; N40-A152 VanDerWaalsContact O-O 3.14Å; N40-R177 PolarHBondContact ND2-O 3.02Å; N40-I179 PolarHBondContact ND2-O 3.49Å; N40-R181 WeakPolarHBondContact OD1-CB 3.48Å; N40-R181 WeakPolarHBondContact OD1-CD 3.38Å; N40-R181 WeakPolarHBondContact OD1-CG 3.48Å; N40-R181 PolarHBondContact OD1-NH1 3.45Å
41V98.7Very high98.3Very high4 Ų441.2 Ų41.22%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-114.988.3171.3-174.80000107.1S39 P43 A152 L154 I176 R177S39-V41 PolarHBondContact O-N 3.46Å; S39-V41 PolarHBondContact OG-N 3.42Å; V41-P43 WeakPolarHBondContact O-CD 3.07Å; V41-A152 CarbonylContact C-O 3.51Å; V41-A152 WeakPolarHBondContact CA-O 3.29Å; V41-A152 HydrophobicContact CG2-CB 4.4Å; V41-L154 HydrophobicContact CG1-CB 3.78Å; V41-I176 HydrophobicContact CG2-CB 3.64Å; V41-I176 HydrophobicContact CG2-CG2 3.52Å; V41-R177 HydrophobicContact CB-CG 4.01Å; V41-R177 HydrophobicContact CG2-CG 3.69Å
42Q98.6Very high98.3Very high35 Ų3541.2 Ų41.216%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-72.3121.2-173.1-174.361.511.500110.8V44 T108 T150 A152 A153 L154Q42-V44 HydrophobicContact CG-CG2 4.48Å; Q42-T108 HydrophobicContact CB-CG2 4.14Å; Q42-T108 HydrophobicContact CG-CG2 4.02Å; Q42-T150 HydrophobicContact CB-CG2 4.34Å; Q42-A152 PolarHBondContact N-O 2.94Å; Q42-A153 CarbonylContact O-C 3.54Å; Q42-A153 WeakPolarHBondContact O-CA 3.34Å; Q42-L154 PolarHBondContact O-N 3.12Å
43P98.6Very high98.3Very high92 Ų9240.9 Ų40.960%0.59723%0.232SC*.EExtended strand (participates in β ladder)trans-69.5136.4174.229-33.6000110.2V41V41-P43 WeakPolarHBondContact O-CD 3.07Å
44V98.6Very high98.4Very high18 Ų1836 Ų3611%0.10921%0.207CC..EExtended strand (participates in β ladder)trans-136.7141.5178.1-177.80000109.2Q42 V48 I77 T108 A153 L154 I155 D156Q42-V44 HydrophobicContact CG-CG2 4.48Å; V44-V48 HydrophobicContact CG1-CB 4.26Å; V44-V48 HydrophobicContact CG1-CG1 4.44Å; V44-V48 HydrophobicContact CG1-CG2 3.95Å; V44-I77 HydrophobicContact CB-CD1 4.04Å; V44-I77 HydrophobicContact CG1-CD1 3.94Å; V44-I77 HydrophobicContact CG1-CG1 4.22Å; V44-I77 HydrophobicContact CG2-CD1 4Å; V44-I77 HydrophobicContact CG2-CG1 4.14Å; V44-T108 HydrophobicContact CG2-CG2 4.36Å; V44-A153 HydrophobicContact CG2-CB 4.14Å; V44-L154 PolarHBondContact N-O 3.02Å; V44-I155 CarbonylContact O-C 3.2Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.33Å; V44-D156 PolarHBondContact O-N 2.85Å
45S98.4Very high98.4Very high82 Ų8234.3 Ų34.357%0.57320%0.197SC*.PPolyproline II helixtrans-102.2146.6177.5-62.10000112.2D156S45-D156 VanDerWaalsContact CA-OD1 3.29Å; S45-D156 WeakPolarHBondContact CA-OD1 3.35Å
46T98.3Very high98.3Very high33 Ų3334.3 Ų34.320%0.20220%0.197CC..SBendtrans-69.7154.6166.653.80000111.7V48 I155 D156 F274 K275T46-V48 HydrophobicContact CG2-CG1 4.37Å; T46-I155 HydrophobicContact CG2-CG2 3.57Å; T46-D156 VanDerWaalsContact CB-OD2 3.29Å; T46-D156 WeakPolarHBondContact CB-OD2 3.37Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D156 PolarHBondContact N-OD1 3.49Å; T46-D156 PolarHBondContact N-OD2 3.38Å; T46-D156 PolarHBondContact OG1-OD2 3.38Å; T46-F274 HydrophobicContact CG2-CB 3.92Å; T46-K275 WeakPolarHBondContact CB-O 3.46Å
47P98.4Very high98.4Very high85 Ų8529.3 Ų29.355%0.55217%0.171SC*.SBendcis-73.6142.6-3.131.3-35.4000112.6N75 F274P47-N75 WeakPolarHBondContact O-CB 3.49Å; P47-N75 PolarHBondContact O-ND2 3.05Å; P47-F274 CarbonylContact C-O 3.51Å; P47-F274 VanDerWaalsContact CA-O 3.26Å; P47-F274 WeakPolarHBondContact CA-O 3.44Å
48V98.8Very high98.5Very high2 Ų221.6 Ų21.61%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-149.1147178.665.90000111.7V44 T46 N75 I77 I155 F274V44-V48 HydrophobicContact CG1-CB 4.26Å; V44-V48 HydrophobicContact CG1-CG1 4.44Å; V44-V48 HydrophobicContact CG1-CG2 3.95Å; T46-V48 HydrophobicContact CG2-CG1 4.37Å; V48-N75 HydrophobicContact CB-CB 4.23Å; V48-N75 HydrophobicContact CG2-CB 4.05Å; V48-I77 HydrophobicContact CG1-CD1 4.4Å; V48-I77 HydrophobicContact CG2-CD1 3.94Å; V48-I77 HydrophobicContact CG2-CG1 3.89Å; V48-I155 HydrophobicContact CG1-CD1 3.75Å; V48-I155 HydrophobicContact CG1-CG1 4.13Å; V48-I155 HydrophobicContact CG1-CG2 3.83Å; V48-F274 HydrophobicContact CG1-CB 4.25Å; V48-F274 PolarHBondContact N-O 3.49Å; V48-F274 PolarHBondContact O-N 3.28Å
49T98.9Very high98.5Very high4 Ų422.6 Ų22.63%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-107.1123.2175-59.20000110.3N75 Y76 I77 I271 V273T49-N75 PolarHBondContact N-O 2.82Å; T49-Y76 HydrophobicContact CG2-CD1 3.96Å; T49-Y76 HydrophobicContact CG2-CE1 3.54Å; T49-Y76 CarbonylContact O-C 3.59Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.44Å; T49-I77 PolarHBondContact O-N 2.87Å; T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.87Å; T49-I271 HydrophobicContact CG2-CG1 4.04Å; T49-I271 HydrophobicContact CG2-CG2 4.42Å; T49-V273 HydrophobicContact CG2-CG2 4.2Å
50V98.9Very high98.5Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-99130.3179.6-177.50000110.2I77 M79 I155 M272 F274V50-I77 CarbonylContact C-O 3.54Å; V50-I77 WeakPolarHBondContact CA-O 3.28Å; V50-I77 HydrophobicContact CG2-CB 4.28Å; V50-I77 HydrophobicContact CG2-CD1 4.16Å; V50-M79 HydrophobicContact CG1-CE 3.59Å; V50-M79 HydrophobicContact CG1-CG 3.89Å; V50-M79 HydrophobicContact CG1-SD 3.59Å; V50-M79 VanDerWaalsContact CG1-SD 3.59Å; V50-I155 HydrophobicContact CG2-CD1 3.76Å; V50-M272 HydrophobicContact CB-CB 4.41Å; V50-M272 PolarHBondContact N-O 3.34Å; V50-M272 PolarHBondContact O-N 3.35Å; V50-F274 HydrophobicContact CB-CE2 4.2Å; V50-F274 HydrophobicContact CG2-CD2 3.77Å; V50-F274 HydrophobicContact CG2-CE2 3.65Å
51C98.9Very high98.5Very high0 Ų019.9 Ų19.90%012%0.12CC..EExtended strand (participates in β ladder)trans-119.4140.1-178-49.70000110L64 Y76 I77 F78 M79 I271C51-L64 HydrophobicContact CB-CD1 4.11Å; C51-Y76 VanDerWaalsContact SG-CD1 3.57Å; C51-I77 PolarHBondContact N-O 2.98Å; C51-F78 HydrophobicContact CB-CD1 3.51Å; C51-F78 HydrophobicContact CB-CE1 3.76Å; C51-F78 HydrophobicContact CB-CG 4.11Å; C51-M79 WeakPolarHBondContact O-CB 3.29Å; C51-M79 WeakPolarHBondContact O-CG 3.35Å; C51-M79 PolarHBondContact O-N 3.18Å; C51-I271 HydrophobicContact CB-CG2 4.32Å
52G98.8Very high98.5Very high0 Ų020.9 Ų20.90%013%0.127CC..  trans-89.5-148.7170.900000112.2V255 S257G52-V255 WeakPolarHBondContact CA-O 3.31Å; G52-S257 PolarHBondContact N-OG 2.82Å
53D98.9Very high98.5Very high1 Ų121.7 Ų21.71%0.00513%0.131CC..  trans-59.9141.6-175.2-54.336.9000112.4H55 D81 H163 A236 H237 W256 S257 A258D53-H55 IonicContact OD2-NE2 3.89Å; D53-D81 HydrophobicContact CB-CB 4.07Å; D53-H163 IonicContact OD1-CE1 2.77Å; D53-H163 IonicContact OD2-CE1 3.27Å; D53-A236 WeakPolarHBondContact OD1-CB 3.38Å; D53-H237 PolarHBondContact OD1-N 3.31Å; D53-H237 WeakPolarHBondContact OD2-CA 2.97Å; D53-W256 HydrophobicContact CB-CD2 4.47Å; D53-W256 HydrophobicContact CB-CE3 4.03Å; D53-W256 HydrophobicContact CB-CH2 3.86Å; D53-W256 HydrophobicContact CB-CZ2 4.3Å; D53-W256 HydrophobicContact CB-CZ3 3.73Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.26Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.35Å; D53-S257 CarbonylContact O-C 3.47Å; D53-S257 WeakPolarHBondContact O-CA 3.34Å; D53-S257 WeakPolarHBondContact O-CB 3.49Å; D53-S257 PolarHBondContact O-N 3.45Å; D53-A258 PolarHBondContact O-N 3.3Å
54I98.7Very high98.5Very high3 Ų317.3 Ų17.32%0.01510%0.102CC..  trans-118.6-37.3180-52.6-62000111.9G56 Q57 L61 L64 F78 D81 T92I54-G56 PolarHBondContact O-N 3.22Å; I54-Q57 WeakPolarHBondContact O-CB 3.4Å; I54-Q57 PolarHBondContact O-N 2.99Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; I54-L61 HydrophobicContact CD1-CD1 4.28Å; I54-L61 HydrophobicContact CG2-CB 4.07Å; I54-L64 HydrophobicContact CD1-CD1 3.78Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.29Å; I54-F78 HydrophobicContact CG1-CD1 4.28Å; I54-D81 PolarHBondContact N-O 3.11Å; I54-T92 HydrophobicContact CB-CG2 4.3Å; I54-T92 HydrophobicContact CG2-CG2 3.48Å; I54-T92 VanDerWaalsContact CG2-CG2 3.48Å
55H98.4Very high98.5Very high3 Ų316.6 Ų16.61%0.01410%0.097CC..THydrogen-bonded Turntrans48.750.4171.9-79.4-53.7000114.6D53 Q57 D81 V83 D84 R85 G86 H114 W256 Y261D53-H55 IonicContact OD2-NE2 3.89Å; H55-Q57 PolarHBondContact O-N 2.85Å; H55-D81 IonicContact CE1-OD2 2.78Å; H55-D81 PolarHBondContact N-O 2.92Å; H55-D81 IonicContact NE2-OD2 3.43Å; H55-V83 PolarHBondContact ND1-O 2.89Å; H55-D84 CarbonylContact C-O 3.32Å; H55-D84 WeakPolarHBondContact CA-O 3.24Å; H55-D84 VanDerWaalsContact O-O 3.1Å; H55-R85 HydrophobicContact CB-CB 4.17Å; H55-G86 WeakPolarHBondContact O-CA 3.44Å; H55-G86 PolarHBondContact O-N 3.48Å; H55-H114 AromaticContact CE1-CD2 3.52Å; H55-H114 AromaticContact CE1-CG 3.81Å; H55-H114 AromaticContact CE1-NE2 3.69Å; H55-W256 AromaticContact CD2-CH2 3.99Å; H55-Y261 HydrophobicContact CB-CD2 4.47Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.18Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.27Å; H55-Y261 AromaticContact CD2-CZ 3.6Å; H55-Y261 PolarHBondContact CD2-OH 2.92Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.86Å; H55-Y261 AromaticContact NE2-CZ 3.78Å; H55-Y261 PolarHBondContact NE2-OH 3.24Å; H55-Y261 VanDerWaalsContact NE2-OH 3.09Å
56G97.7Very high98.5Very high0 Ų020 Ų200%010%0.098CC..THydrogen-bonded Turntrans60.317.4175.800000115.3I54 F58 F82 Y88I54-G56 PolarHBondContact O-N 3.22Å; G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 3.23Å; G56-F58 VanDerWaalsContact O-N 3.12Å; G56-F82 PolarHBondContact N-O 3.46Å; G56-Y88 CarbonylContact O-C 3.5Å; G56-Y88 WeakPolarHBondContact O-CA 3.29Å; G56-Y88 WeakPolarHBondContact O-CB 3.4Å; G56-Y88 PolarHBondContact O-N 2.86Å; G56-Y88 VanDerWaalsContact O-N 3.07Å
57Q98Very high98.5Very high4 Ų420 Ų202%0.01910%0.098CC..  trans-84.766.6174.3-69.2-173.2-166.500110.6I54 H55 Y59 D60 L61 P259 Y263I54-Q57 WeakPolarHBondContact O-CB 3.4Å; I54-Q57 PolarHBondContact O-N 2.99Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; H55-Q57 PolarHBondContact O-N 2.85Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 2.97Å; Q57-D60 HydrophobicContact CB-CB 4.15Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.25Å; Q57-D60 PolarHBondContact NE2-OD2 2.79Å; Q57-D60 WeakPolarHBondContact O-CA 3.31Å; Q57-D60 WeakPolarHBondContact O-CB 3.41Å; Q57-D60 PolarHBondContact O-N 3.28Å; Q57-L61 PolarHBondContact O-N 3.45Å; Q57-P259 PolarHBondContact NE2-O 2.99Å; Q57-Y263 HydrophobicContact CG-CE1 4.37Å
58F98.3Very high98.4Very high4 Ų416.4 Ų16.42%0.0188%0.076CC..Hα-helixtrans-51.9-43.8-172.2-179.8-88.5000114.6A13 C16 G56 D60 L61 C62 Y88 E91 T92 Y95A13-F58 VanDerWaalsContact O-CE2 3.31Å; A13-F58 WeakPolarHBondContact O-CE2 3.23Å; A13-F58 WeakPolarHBondContact O-CZ 3.09Å; C16-F58 HydrophobicContact CB-CD1 3.57Å; C16-F58 HydrophobicContact CB-CE1 3.43Å; C16-F58 VanDerWaalsContact CB-CE1 3.43Å; C16-F58 HydrophobicContact CB-CG 4.33Å; C16-F58 HydrophobicContact CB-CZ 4.07Å; C16-F58 VanDerWaalsContact SG-CD1 3.56Å; G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 3.23Å; G56-F58 VanDerWaalsContact O-N 3.12Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 2.8Å; F58-L61 WeakPolarHBondContact O-CB 3.46Å; F58-L61 PolarHBondContact O-N 3Å; F58-L61 VanDerWaalsContact O-N 3.16Å; F58-C62 VanDerWaalsContact CE1-SG 3.6Å; F58-C62 PolarHBondContact O-N 3.37Å; F58-Y88 HydrophobicContact CB-CD2 4.49Å; F58-Y88 HydrophobicContact CB-CG 4.15Å; F58-E91 HydrophobicContact CD2-CB 3.81Å; F58-E91 HydrophobicContact CE2-CB 4.17Å; F58-E91 HydrophobicContact CG-CB 4.41Å; F58-T92 WeakPolarHBondContact CA-OG1 3.4Å; F58-Y95 HydrophobicContact CE2-CD1 4.09Å; F58-Y95 HydrophobicContact CE2-CG 4.32Å
59Y98.2Very high98.4Very high44 Ų4417.3 Ų17.317%0.1739%0.086CC..Hα-helixtrans-63.9-34.8179.7-64.9-84000111.9Q57 C62 E63 Y88 V288 R293 V294Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-Y59 PolarHBondContact O-N 2.97Å; Y59-C62 WeakPolarHBondContact O-CB 3.34Å; Y59-C62 PolarHBondContact O-N 2.84Å; Y59-E63 PolarHBondContact O-N 3.03Å; Y59-E63 VanDerWaalsContact O-N 3.15Å; Y59-Y88 HydrophobicContact CD2-CD2 4.31Å; Y59-Y88 HydrophobicContact CD2-CE2 4.2Å; Y59-Y88 AromaticContact CE2-CD2 3.99Å; Y59-Y88 HydrophobicContact CE2-CD2 3.99Å; Y59-Y88 AromaticContact CE2-CE2 3.56Å; Y59-Y88 HydrophobicContact CE2-CE2 3.56Å; Y59-Y88 AromaticContact CE2-CZ 4Å; Y59-V288 WeakPolarHBondContact O-CG2 3.25Å; Y59-R293 HydrophobicContact CD1-CG 4.38Å; Y59-R293 HydrophobicContact CD2-CB 4.13Å; Y59-R293 HydrophobicContact CD2-CG 3.89Å; Y59-R293 HydrophobicContact CE2-CB 4.23Å; Y59-R293 HydrophobicContact CE2-CG 4.48Å; Y59-R293 HydrophobicContact CG-CB 4.42Å; Y59-R293 HydrophobicContact CG-CG 3.85Å; Y59-V294 VanDerWaalsContact OH-CB 3.3Å; Y59-V294 WeakPolarHBondContact OH-CB 3.1Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.24Å; Y59-V294 PolarHBondContact OH-N 3.46Å
60D98.4Very high98.3Very high3 Ų321.2 Ų21.22%0.01610%0.104CC..Hα-helixtrans-76.4-28.9176.3-57.1-42.1000111.7Q57 F58 C62 E63 L64 P259 V288 R293Q57-D60 HydrophobicContact CB-CB 4.15Å; Q57-D60 WeakPolarHBondContact CB-OD2 3.25Å; Q57-D60 PolarHBondContact NE2-OD2 2.79Å; Q57-D60 WeakPolarHBondContact O-CA 3.31Å; Q57-D60 WeakPolarHBondContact O-CB 3.41Å; Q57-D60 PolarHBondContact O-N 3.28Å; F58-D60 VanDerWaalsContact C-N 3.26Å; F58-D60 PolarHBondContact O-N 2.8Å; D60-C62 VanDerWaalsContact C-N 3.3Å; D60-C62 PolarHBondContact O-N 2.83Å; D60-E63 WeakPolarHBondContact O-CB 3.49Å; D60-E63 PolarHBondContact O-N 3.2Å; D60-L64 WeakPolarHBondContact O-CB 3.43Å; D60-L64 PolarHBondContact O-N 3.49Å; D60-P259 HydrophobicContact CB-CG 3.81Å; D60-V288 WeakPolarHBondContact OD1-CG2 3.49Å; D60-V288 PolarHBondContact OD1-N 3.36Å; D60-R293 IonicContact OD1-CZ 2.64Å; D60-R293 IonicContact OD1-NH2 3.78Å; D60-R293 PolarHBondContact OD1-NH2 3.03Å; D60-R293 IonicContact OD2-CZ 3.72Å; D60-R293 IonicContact OD2-NH2 3.83Å; D60-R293 PolarHBondContact OD2-NH2 2.97Å
61L98.6Very high98.2Very high1 Ų122 Ų221%0.00511%0.108CC..Hα-helixtrans-62.1-38.5167.3176.263.6000111.4I54 Q57 F58 E63 L64 F65 F78 T92 Y95 L96I54-L61 HydrophobicContact CD1-CD1 4.28Å; I54-L61 HydrophobicContact CG2-CB 4.07Å; Q57-L61 PolarHBondContact O-N 3.45Å; F58-L61 WeakPolarHBondContact O-CB 3.46Å; F58-L61 PolarHBondContact O-N 3Å; F58-L61 VanDerWaalsContact O-N 3.16Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; L61-L64 HydrophobicContact CD1-CD2 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.33Å; L61-L64 PolarHBondContact O-N 2.73Å; L61-F65 HydrophobicContact CD1-CD2 4.14Å; L61-F65 HydrophobicContact CD1-CE2 3.58Å; L61-F65 HydrophobicContact CD1-CZ 4.07Å; L61-F65 HydrophobicContact CD2-CE2 4.2Å; L61-F65 HydrophobicContact CG-CD2 4.13Å; L61-F65 HydrophobicContact CG-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CD2 3.43Å; L61-F65 PolarHBondContact O-N 3.29Å; L61-F65 VanDerWaalsContact O-N 3.12Å; L61-F78 HydrophobicContact CD1-CE1 3.77Å; L61-F78 HydrophobicContact CD1-CZ 4.16Å; L61-T92 HydrophobicContact CD2-CG2 3.87Å; L61-Y95 HydrophobicContact CD2-CD1 4.03Å; L61-L96 HydrophobicContact CD1-CD2 4.4Å; L61-L96 HydrophobicContact CD2-CD2 4.24Å; L61-L96 HydrophobicContact CD2-CG 4.21Å
62C98.2Very high98.1Very high24 Ų2424.1 Ų24.116%0.16212%0.123CC..Hα-helixtrans-63.6-40.2172.6-72.60000111.9F58 Y59 D60 L64 F65 R66F58-C62 VanDerWaalsContact CE1-SG 3.6Å; F58-C62 PolarHBondContact O-N 3.37Å; Y59-C62 WeakPolarHBondContact O-CB 3.34Å; Y59-C62 PolarHBondContact O-N 2.84Å; D60-C62 VanDerWaalsContact C-N 3.3Å; D60-C62 PolarHBondContact O-N 2.83Å; C62-L64 VanDerWaalsContact C-N 3.34Å; C62-F65 PolarHBondContact O-N 2.82Å; C62-R66 WeakPolarHBondContact O-CG 3.41Å; C62-R66 PolarHBondContact O-N 3.34Å
63E98.4Very high98.1Very high52 Ų5231.1 Ų31.124%0.24316%0.16CC..Hα-helixtrans-65.9-36.5175.2-17058.4-158.200112.6Y59 D60 L61 F65 R66 T67 F285 V288Y59-E63 PolarHBondContact O-N 3.03Å; Y59-E63 VanDerWaalsContact O-N 3.15Å; D60-E63 WeakPolarHBondContact O-CB 3.49Å; D60-E63 PolarHBondContact O-N 3.2Å; L61-E63 VanDerWaalsContact C-N 3.33Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.79Å; E63-R66 WeakPolarHBondContact O-CB 3.44Å; E63-R66 PolarHBondContact O-N 2.7Å; E63-R66 VanDerWaalsContact O-N 3.15Å; E63-R66 WeakPolarHBondContact OE2-CD 3.42Å; E63-R66 IonicContact OE2-CZ 2.83Å; E63-R66 IonicContact OE2-NH1 2.78Å; E63-R66 PolarHBondContact OE2-NH1 2.79Å; E63-T67 WeakPolarHBondContact O-CB 3.43Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 3.42Å; E63-F285 HydrophobicContact CB-CD2 4.34Å; E63-F285 HydrophobicContact CG-CB 4.36Å; E63-F285 HydrophobicContact CG-CD2 4.04Å; E63-V288 HydrophobicContact CB-CG2 3.85Å; E63-V288 HydrophobicContact CG-CG2 4.39Å
64L98.7Very high98.1Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-56.6-47171.5-179160.6000111C51 I54 D60 L61 C62 R66 T67 G68 Y76 F78 I271 F285C51-L64 HydrophobicContact CB-CD1 4.11Å; I54-L64 HydrophobicContact CD1-CD1 3.78Å; D60-L64 WeakPolarHBondContact O-CB 3.43Å; D60-L64 PolarHBondContact O-N 3.49Å; L61-L64 HydrophobicContact CD1-CD1 4.41Å; L61-L64 HydrophobicContact CD1-CD2 4.49Å; L61-L64 WeakPolarHBondContact O-CB 3.33Å; L61-L64 PolarHBondContact O-N 2.73Å; C62-L64 VanDerWaalsContact C-N 3.34Å; L64-R66 PolarHBondContact O-N 2.88Å; L64-T67 PolarHBondContact O-N 3.01Å; L64-G68 PolarHBondContact O-N 3.4Å; L64-Y76 HydrophobicContact CD2-CE1 3.85Å; L64-F78 HydrophobicContact CD1-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CZ 4.23Å; L64-I271 HydrophobicContact CD1-CG2 3.71Å; L64-I271 HydrophobicContact CD2-CG2 4.18Å; L64-I271 HydrophobicContact CG-CG2 3.6Å; L64-F285 HydrophobicContact CB-CE1 4.4Å; L64-F285 HydrophobicContact CB-CE2 4.26Å; L64-F285 HydrophobicContact CB-CZ 3.9Å; L64-F285 HydrophobicContact CD1-CZ 4.2Å; L64-F285 HydrophobicContact CG-CE1 4.46Å; L64-F285 HydrophobicContact CG-CZ 4.26Å
65F98.6Very high98.1Very high3 Ų333.5 Ų33.51%0.01317%0.174CC..Hα-helixtrans-69.1-29.5176.3-70.6-59.7000113.3L61 C62 E63 T67 G69 Q70 V71 Y76 F78 Y95 L96 L99L61-F65 HydrophobicContact CD1-CD2 4.14Å; L61-F65 HydrophobicContact CD1-CE2 3.58Å; L61-F65 HydrophobicContact CD1-CZ 4.07Å; L61-F65 HydrophobicContact CD2-CE2 4.2Å; L61-F65 HydrophobicContact CG-CD2 4.13Å; L61-F65 HydrophobicContact CG-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CD2 3.43Å; L61-F65 PolarHBondContact O-N 3.29Å; L61-F65 VanDerWaalsContact O-N 3.12Å; C62-F65 PolarHBondContact O-N 2.82Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 2.79Å; F65-T67 VanDerWaalsContact C-N 3.32Å; F65-G69 CarbonylContact O-C 3.45Å; F65-G69 WeakPolarHBondContact O-CA 2.94Å; F65-G69 PolarHBondContact O-N 3.03Å; F65-Q70 VanDerWaalsContact C-NE2 3.3Å; F65-Q70 PolarHBondContact O-NE2 3.12Å; F65-V71 HydrophobicContact CE1-CG2 4.17Å; F65-Y76 HydrophobicContact CD1-CE1 4.48Å; F65-Y76 AromaticContact CD1-CE2 3.96Å; F65-Y76 HydrophobicContact CD1-CE2 3.96Å; F65-Y76 AromaticContact CD1-CZ 3.86Å; F65-Y76 HydrophobicContact CE1-CD2 4.22Å; F65-Y76 HydrophobicContact CE1-CE1 4.44Å; F65-Y76 AromaticContact CE1-CE2 3.97Å; F65-Y76 HydrophobicContact CE1-CE2 3.97Å; F65-F78 HydrophobicContact CE1-CE2 4.38Å; F65-F78 AromaticContact CE1-CZ 3.87Å; F65-F78 HydrophobicContact CE1-CZ 3.87Å; F65-F78 HydrophobicContact CZ-CE2 4.29Å; F65-F78 AromaticContact CZ-CZ 3.69Å; F65-F78 HydrophobicContact CZ-CZ 3.69Å; F65-Y95 AromaticContact CD2-CE1 3.89Å; F65-Y95 HydrophobicContact CD2-CE1 3.89Å; F65-Y95 HydrophobicContact CE2-CD1 4.12Å; F65-Y95 AromaticContact CE2-CE1 3.56Å; F65-Y95 HydrophobicContact CE2-CE1 3.56Å; F65-L96 HydrophobicContact CZ-CD2 4.24Å; F65-L99 HydrophobicContact CE1-CD1 4.27Å; F65-L99 HydrophobicContact CE2-CD1 4.01Å; F65-L99 HydrophobicContact CZ-CD1 3.54Å
66R98.1Very high98.1Very high155 Ų15533.4 Ų33.459%0.58517%0.173SC*.Hα-helixtrans-66.9-36.6171.1-68.9-179.4-165.5132.7-2.9111.8C62 E63 L64C62-R66 WeakPolarHBondContact O-CG 3.41Å; C62-R66 PolarHBondContact O-N 3.34Å; E63-R66 WeakPolarHBondContact O-CB 3.44Å; E63-R66 PolarHBondContact O-N 2.7Å; E63-R66 VanDerWaalsContact O-N 3.15Å; E63-R66 WeakPolarHBondContact OE2-CD 3.42Å; E63-R66 IonicContact OE2-CZ 2.83Å; E63-R66 IonicContact OE2-NH1 2.78Å; E63-R66 PolarHBondContact OE2-NH1 2.79Å; L64-R66 PolarHBondContact O-N 2.88Å
67T98.3Very high98.1Very high32 Ų3233.4 Ų33.420%0.19617%0.173CC..Hα-helixtrans-78.3-44.1-178.7-58.50000112.3E63 L64 F65 I271 K283 F285E63-T67 WeakPolarHBondContact O-CB 3.43Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 3.42Å; L64-T67 PolarHBondContact O-N 3.01Å; F65-T67 VanDerWaalsContact C-N 3.32Å; T67-I271 HydrophobicContact CG2-CD1 4.1Å; T67-K283 HydrophobicContact CG2-CB 3.79Å; T67-K283 HydrophobicContact CG2-CD 4.22Å; T67-K283 WeakPolarHBondContact O-CD 3.48Å; T67-K283 PolarHBondContact O-NZ 2.85Å; T67-F285 HydrophobicContact CG2-CB 4.46Å
68G97.9Very high98.2Very high9 Ų933.2 Ų33.29%0.09317%0.173CC..Hα-helixtrans-83.9-34.7-174.800000114.2L64 Y76L64-G68 PolarHBondContact O-N 3.4Å; G68-Y76 VanDerWaalsContact CA-OH 3.28Å; G68-Y76 WeakPolarHBondContact CA-OH 3.5Å
69G98.1Very high98.2Very high22 Ų2233 Ų3323%0.22717%0.172CC..  trans123.4159.4-170.700000111.6F65 Y76F65-G69 CarbonylContact O-C 3.45Å; F65-G69 WeakPolarHBondContact O-CA 2.94Å; F65-G69 PolarHBondContact O-N 3.03Å; G69-Y76 PolarHBondContact N-OH 2.89Å; G69-Y76 PolarHBondContact O-OH 3.05Å
70Q97Very high98.2Very high86 Ų8631 Ų3140%0.40216%0.164SC..  trans-89.9150179.6-61.1-65.7-53.200110.8F65 D73 T74F65-Q70 VanDerWaalsContact C-NE2 3.3Å; F65-Q70 PolarHBondContact O-NE2 3.12Å; Q70-D73 PolarHBondContact O-N 3.12Å; Q70-T74 PolarHBondContact O-N 2.9Å
71V96.7Very high98.3Very high15 Ų1530.9 Ų30.99%0.09116%0.163CC..THydrogen-bonded Turntrans-78.7136.3166.8-174.50000107.7F65 Y76 L99 W103 R106 I107F65-V71 HydrophobicContact CE1-CG2 4.17Å; V71-Y76 HydrophobicContact CG2-CD2 3.85Å; V71-Y76 HydrophobicContact CG2-CE2 4.11Å; V71-L99 HydrophobicContact CB-CD2 4.49Å; V71-W103 HydrophobicContact CB-CE3 4.13Å; V71-W103 HydrophobicContact CB-CZ3 4.25Å; V71-W103 HydrophobicContact CG1-CB 4.03Å; V71-W103 HydrophobicContact CG1-CD2 3.73Å; V71-W103 HydrophobicContact CG1-CE3 3.34Å; V71-W103 HydrophobicContact CG1-CG 4.06Å; V71-W103 HydrophobicContact CG1-CZ3 3.95Å; V71-R106 HydrophobicContact CG1-CB 4.06Å; V71-I107 HydrophobicContact CG1-CG1 4.42Å; V71-I107 HydrophobicContact CG2-CD1 3.98Å; V71-I107 HydrophobicContact CG2-CG1 4.31Å
72P97.2Very high98.3Very high46 Ų4630.8 Ų30.830%0.29916%0.163SC..THydrogen-bonded Turncis-94.73.812.637.2-35.6000116.3T74 W103 R106P72-T74 PolarHBondContact O-N 2.82Å; P72-W103 HydrophobicContact CB-CD2 4.18Å; P72-W103 HydrophobicContact CB-CG 4.03Å; P72-W103 HydrophobicContact CG-CZ2 4.22Å; P72-R106 HydrophobicContact CB-CG 4.22Å
73D97.8Very high98.3Very high146 Ų14629.7 Ų29.778%0.78116%0.155SC*.THydrogen-bonded Turntrans-69.6-21.9-175.5-59.2-39.4000112.9Q70Q70-D73 PolarHBondContact O-N 3.12Å
74T98.1Very high98.2Very high30 Ų3027.2 Ų27.218%0.18414%0.143CC..SBendtrans-122.3133.1178.7-550000110.9Q70 P72 Y76Q70-T74 PolarHBondContact O-N 2.9Å; P72-T74 PolarHBondContact O-N 2.82Å; T74-Y76 HydrophobicContact CG2-CD2 4.09Å; T74-Y76 HydrophobicContact CG2-CE2 3.53Å; T74-Y76 WeakPolarHBondContact O-CD2 3.46Å
75N98.6Very high98Very high25 Ų2530.6 Ų30.613%0.13416%0.156CC..  trans-83.9145.1172.6-55.2-42.9000110.5P47 V48 T49 R106P47-N75 WeakPolarHBondContact O-CB 3.49Å; P47-N75 PolarHBondContact O-ND2 3.05Å; V48-N75 HydrophobicContact CB-CB 4.23Å; V48-N75 HydrophobicContact CG2-CB 4.05Å; T49-N75 PolarHBondContact N-O 2.82Å; N75-R106 CarbonylContact C-O 3.6Å; N75-R106 WeakPolarHBondContact CA-O 3.3Å; N75-R106 WeakPolarHBondContact OD1-CD 3.44Å; N75-R106 PolarHBondContact OD1-NH1 2.8Å
76Y98.9Very high97.7Very high1 Ų130.5 Ų30.50%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-134.8139.2-176.1-80.2-84.9000113.3T49 C51 L64 F65 G68 G69 V71 T74 F78 R106 I107 T108T49-Y76 HydrophobicContact CG2-CD1 3.96Å; T49-Y76 HydrophobicContact CG2-CE1 3.54Å; T49-Y76 CarbonylContact O-C 3.59Å; T49-Y76 VanDerWaalsContact O-CA 3.29Å; T49-Y76 WeakPolarHBondContact O-CA 3.44Å; C51-Y76 VanDerWaalsContact SG-CD1 3.57Å; L64-Y76 HydrophobicContact CD2-CE1 3.85Å; F65-Y76 HydrophobicContact CD1-CE1 4.48Å; F65-Y76 AromaticContact CD1-CE2 3.96Å; F65-Y76 HydrophobicContact CD1-CE2 3.96Å; F65-Y76 AromaticContact CD1-CZ 3.86Å; F65-Y76 HydrophobicContact CE1-CD2 4.22Å; F65-Y76 HydrophobicContact CE1-CE1 4.44Å; F65-Y76 AromaticContact CE1-CE2 3.97Å; F65-Y76 HydrophobicContact CE1-CE2 3.97Å; G68-Y76 VanDerWaalsContact CA-OH 3.28Å; G68-Y76 WeakPolarHBondContact CA-OH 3.5Å; G69-Y76 PolarHBondContact N-OH 2.89Å; G69-Y76 PolarHBondContact O-OH 3.05Å; V71-Y76 HydrophobicContact CG2-CD2 3.85Å; V71-Y76 HydrophobicContact CG2-CE2 4.11Å; T74-Y76 HydrophobicContact CG2-CD2 4.09Å; T74-Y76 HydrophobicContact CG2-CE2 3.53Å; T74-Y76 WeakPolarHBondContact O-CD2 3.46Å; Y76-F78 AromaticContact CD1-CE2 3.99Å; Y76-F78 HydrophobicContact CD1-CE2 3.99Å; Y76-F78 HydrophobicContact CD1-CZ 4.07Å; Y76-F78 AromaticContact CG-CE2 3.95Å; Y76-F78 HydrophobicContact CG-CE2 3.95Å; Y76-F78 HydrophobicContact CG-CZ 4.4Å; Y76-R106 PolarHBondContact N-O 3.3Å; Y76-I107 HydrophobicContact CG-CD1 4.49Å; Y76-T108 PolarHBondContact O-N 3.4Å
77I98.9Very high97.5Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-113.3124.9160.2-64160.3000107.1V44 V48 T49 V50 C51 M79 T108 L110 A153 I155 C161V44-I77 HydrophobicContact CB-CD1 4.04Å; V44-I77 HydrophobicContact CG1-CD1 3.94Å; V44-I77 HydrophobicContact CG1-CG1 4.22Å; V44-I77 HydrophobicContact CG2-CD1 4Å; V44-I77 HydrophobicContact CG2-CG1 4.14Å; V48-I77 HydrophobicContact CG1-CD1 4.4Å; V48-I77 HydrophobicContact CG2-CD1 3.94Å; V48-I77 HydrophobicContact CG2-CG1 3.89Å; T49-I77 PolarHBondContact O-N 2.87Å; V50-I77 CarbonylContact C-O 3.54Å; V50-I77 WeakPolarHBondContact CA-O 3.28Å; V50-I77 HydrophobicContact CG2-CB 4.28Å; V50-I77 HydrophobicContact CG2-CD1 4.16Å; C51-I77 PolarHBondContact N-O 2.98Å; I77-M79 HydrophobicContact CG2-CG 4.37Å; I77-T108 WeakPolarHBondContact CA-O 3.42Å; I77-T108 HydrophobicContact CG1-CG2 4.49Å; I77-L110 HydrophobicContact CG2-CD1 4.22Å; I77-L110 HydrophobicContact CG2-CG 4.16Å; I77-A153 HydrophobicContact CD1-CB 4.05Å; I77-A153 HydrophobicContact CG1-CB 4.42Å; I77-A153 HydrophobicContact CG2-CB 4.29Å; I77-I155 HydrophobicContact CD1-CD1 3.74Å; I77-I155 HydrophobicContact CD1-CG1 3.57Å; I77-C161 HydrophobicContact CG2-CB 4.35Å
78F98.9Very high97.4Very high0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-106.8124.3168.7-67.7-99.2000109.5C51 I54 L61 L64 F65 Y76 G80 F82 L96 I107 T108 L109 L110C51-F78 HydrophobicContact CB-CD1 3.51Å; C51-F78 HydrophobicContact CB-CE1 3.76Å; C51-F78 HydrophobicContact CB-CG 4.11Å; I54-F78 HydrophobicContact CD1-CD1 4.32Å; I54-F78 HydrophobicContact CD1-CE1 4.29Å; I54-F78 HydrophobicContact CG1-CD1 4.28Å; L61-F78 HydrophobicContact CD1-CE1 3.77Å; L61-F78 HydrophobicContact CD1-CZ 4.16Å; L64-F78 HydrophobicContact CD1-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CE1 4.26Å; L64-F78 HydrophobicContact CD2-CZ 4.23Å; F65-F78 HydrophobicContact CE1-CE2 4.38Å; F65-F78 AromaticContact CE1-CZ 3.87Å; F65-F78 HydrophobicContact CE1-CZ 3.87Å; F65-F78 HydrophobicContact CZ-CE2 4.29Å; F65-F78 AromaticContact CZ-CZ 3.69Å; F65-F78 HydrophobicContact CZ-CZ 3.69Å; Y76-F78 AromaticContact CD1-CE2 3.99Å; Y76-F78 HydrophobicContact CD1-CE2 3.99Å; Y76-F78 HydrophobicContact CD1-CZ 4.07Å; Y76-F78 AromaticContact CG-CE2 3.95Å; Y76-F78 HydrophobicContact CG-CE2 3.95Å; Y76-F78 HydrophobicContact CG-CZ 4.4Å; F78-G80 VanDerWaalsContact C-N 3.31Å; F78-G80 PolarHBondContact O-N 2.89Å; F78-F82 HydrophobicContact CB-CE1 3.61Å; F78-F82 HydrophobicContact CB-CZ 4.17Å; F78-F82 HydrophobicContact CG-CE1 4.5Å; F78-L96 HydrophobicContact CD1-CD2 4.29Å; F78-L96 HydrophobicContact CD2-CD2 4.12Å; F78-L96 HydrophobicContact CE1-CD2 3.98Å; F78-L96 HydrophobicContact CE2-CD2 3.79Å; F78-L96 HydrophobicContact CG-CD2 4.37Å; F78-L96 HydrophobicContact CZ-CD2 3.73Å; F78-I107 HydrophobicContact CD2-CD1 4.39Å; F78-I107 HydrophobicContact CE2-CD1 3.81Å; F78-T108 PolarHBondContact N-O 2.84Å; F78-L109 HydrophobicContact CB-CD2 4.05Å; F78-L109 HydrophobicContact CD2-CD2 4.08Å; F78-L109 HydrophobicContact CG-CD2 4.34Å; F78-L110 PolarHBondContact O-N 2.94Å
79M98.9Very high97.4Very high0 Ų024.2 Ų24.20%013%0.126CC..  trans-82.70.5-168.8-67.4-172.7-68.600115V50 C51 I77 L110 C161 H163 C234 R235 A236 V255V50-M79 HydrophobicContact CG1-CE 3.59Å; V50-M79 HydrophobicContact CG1-CG 3.89Å; V50-M79 HydrophobicContact CG1-SD 3.59Å; V50-M79 VanDerWaalsContact CG1-SD 3.59Å; C51-M79 WeakPolarHBondContact O-CB 3.29Å; C51-M79 WeakPolarHBondContact O-CG 3.35Å; C51-M79 PolarHBondContact O-N 3.18Å; I77-M79 HydrophobicContact CG2-CG 4.37Å; M79-L110 HydrophobicContact CB-CD1 4.39Å; M79-L110 HydrophobicContact CG-CD1 4.09Å; M79-C161 HydrophobicContact CG-CB 4.46Å; M79-C161 HydrophobicContact SD-CB 4.22Å; M79-H163 WeakPolarHBondContact O-CA 3.35Å; M79-H163 WeakPolarHBondContact O-CB 3.33Å; M79-H163 PolarHBondContact O-ND1 2.79Å; M79-C234 HydrophobicContact SD-CB 4.47Å; M79-R235 VanDerWaalsContact CE-O 3.31Å; M79-R235 WeakPolarHBondContact CE-O 3.3Å; M79-A236 HydrophobicContact CB-CB 3.94Å; M79-A236 HydrophobicContact CE-CB 3.93Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.34Å
80G98.6Very high97.4Very high0 Ų023.2 Ų23.20%012%0.116CC..SBendtrans121.6-170.1177.200000112.9F78F78-G80 VanDerWaalsContact C-N 3.31Å; F78-G80 PolarHBondContact O-N 2.89Å
81D98.8Very high97.5Very high1 Ų119.4 Ų19.41%0.00510%0.098CC..  trans53.157.1179.9-746.8000111.6D53 I54 H55 G112 N113 H114 E115 H163D53-D81 HydrophobicContact CB-CB 4.07Å; I54-D81 PolarHBondContact N-O 3.11Å; H55-D81 IonicContact CE1-OD2 2.78Å; H55-D81 PolarHBondContact N-O 2.92Å; H55-D81 IonicContact NE2-OD2 3.43Å; D81-G112 WeakPolarHBondContact OD1-CA 3.48Å; D81-N113 PolarHBondContact OD1-N 2.58Å; D81-N113 PolarHBondContact OD1-OD1 2.86Å; D81-N113 PolarHBondContact OD2-OD1 3.18Å; D81-H114 HydrophobicContact CB-CB 4.41Å; D81-H114 WeakPolarHBondContact OD1-CB 3.49Å; D81-H114 IonicContact OD1-CD2 3.77Å; D81-H114 IonicContact OD1-CG 3.87Å; D81-H114 PolarHBondContact OD1-N 2.96Å; D81-H114 IonicContact OD2-CD2 3.72Å; D81-H114 PolarHBondContact OD2-CD2 3.45Å; D81-E115 PolarHBondContact N-OE2 3.1Å; D81-H163 IonicContact OD1-CD2 3.74Å; D81-H163 IonicContact OD1-CE1 3.96Å; D81-H163 IonicContact OD1-NE2 2.77Å; D81-H163 PolarHBondContact OD1-NE2 3.45Å; D81-H163 VanDerWaalsContact OD1-NE2 3.13Å; D81-H163 IonicContact OD2-CE1 3.73Å; D81-H163 PolarHBondContact OD2-CE1 3.49Å; D81-H163 IonicContact OD2-NE2 2.92Å; D81-H163 PolarHBondContact OD2-NE2 3.31Å
82F98.8Very high97.6Very high0 Ų018.7 Ų18.70%09%0.093CC..  trans-77.5-31.1176.7-47.5-48.4000111.6G56 F78 F93 L96 L109 L110 E115 L149G56-F82 PolarHBondContact N-O 3.46Å; F78-F82 HydrophobicContact CB-CE1 3.61Å; F78-F82 HydrophobicContact CB-CZ 4.17Å; F78-F82 HydrophobicContact CG-CE1 4.5Å; F82-F93 HydrophobicContact CB-CD2 3.99Å; F82-F93 AromaticContact CD2-CD2 3.57Å; F82-F93 HydrophobicContact CD2-CD2 3.57Å; F82-F93 AromaticContact CD2-CE2 3.59Å; F82-F93 HydrophobicContact CD2-CE2 3.59Å; F82-F93 HydrophobicContact CE2-CD2 4.43Å; F82-F93 HydrophobicContact CE2-CE2 4.09Å; F82-F93 HydrophobicContact CG-CD2 4.04Å; F82-F93 HydrophobicContact CG-CE2 4.48Å; F82-L96 HydrophobicContact CB-CD1 4.36Å; F82-L96 HydrophobicContact CD1-CD1 3.56Å; F82-L96 HydrophobicContact CE1-CD1 4.08Å; F82-L96 HydrophobicContact CG-CD1 3.96Å; F82-L109 HydrophobicContact CE2-CB 4.47Å; F82-L109 HydrophobicContact CZ-CB 4.21Å; F82-L109 HydrophobicContact CZ-CD2 4.15Å; F82-L110 VanDerWaalsContact CZ-O 3.3Å; F82-L110 WeakPolarHBondContact CZ-O 3.46Å; F82-E115 HydrophobicContact CD2-CG 4Å; F82-E115 HydrophobicContact CE2-CG 4.4Å; F82-E115 PolarHBondContact N-OE1 3.15Å; F82-L149 HydrophobicContact CE2-CD1 4.01Å
83V98.6Very high97.7Very high0 Ų016.5 Ų16.50%08%0.079CC..SBendtrans-112.7177.7-169.2-57.20000113.2H55 F93 H114 E115 T120 F125 F146H55-V83 PolarHBondContact ND1-O 2.89Å; V83-F93 HydrophobicContact CG1-CB 4.01Å; V83-F93 HydrophobicContact CG1-CG 4.35Å; V83-H114 HydrophobicContact CG2-CB 4.36Å; V83-E115 PolarHBondContact N-OE1 2.77Å; V83-T120 HydrophobicContact CG2-CG2 3.76Å; V83-F125 HydrophobicContact CB-CB 4.11Å; V83-F125 HydrophobicContact CB-CD1 4.21Å; V83-F125 HydrophobicContact CB-CD2 4.15Å; V83-F125 HydrophobicContact CB-CG 3.9Å; V83-F125 HydrophobicContact CG1-CD1 4.22Å; V83-F125 HydrophobicContact CG1-CD2 4.09Å; V83-F125 HydrophobicContact CG1-CE1 4.22Å; V83-F125 HydrophobicContact CG1-CE2 4.06Å; V83-F125 HydrophobicContact CG1-CG 4.14Å; V83-F125 HydrophobicContact CG1-CZ 4.12Å; V83-F125 HydrophobicContact CG2-CB 4.32Å; V83-F125 HydrophobicContact CG2-CD1 4.19Å; V83-F125 HydrophobicContact CG2-CG 4.25Å; V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.13Å
84D97.5Very high97.7Very high0 Ų09.5 Ų9.50%04%0.042CC..SBendtrans64.1167-176.2-65.7-38.8000113.9H55 G86 S89 H114 Y123 G124 F125H55-D84 CarbonylContact C-O 3.32Å; H55-D84 WeakPolarHBondContact CA-O 3.24Å; H55-D84 VanDerWaalsContact O-O 3.1Å; D84-G86 PolarHBondContact O-N 2.84Å; D84-S89 PolarHBondContact N-OG 3.11Å; D84-S89 VanDerWaalsContact N-OG 3.12Å; D84-H114 VanDerWaalsContact CB-ND1 3.34Å; D84-H114 WeakPolarHBondContact CB-ND1 3.36Å; D84-H114 IonicContact OD2-CE1 3.76Å; D84-H114 IonicContact OD2-CG 3.86Å; D84-H114 IonicContact OD2-ND1 3.44Å; D84-H114 PolarHBondContact OD2-ND1 2.87Å; D84-Y123 WeakPolarHBondContact CB-O 3.5Å; D84-Y123 VanDerWaalsContact OD1-C 3.25Å; D84-G124 PolarHBondContact OD1-N 2.86Å; D84-F125 WeakPolarHBondContact OD1-CB 3.17Å; D84-F125 PolarHBondContact OD1-N 3.23Å
85R93.8Very high97.7Very high72 Ų728.6 Ų8.627%0.2724%0.035SC..SBendtrans65.6-27.1173.1-43.4-69.5-168.6171.5-1.6116.4H55 Y123 Y261 F304H55-R85 HydrophobicContact CB-CB 4.17Å; R85-Y123 PolarHBondContact N-O 2.82Å; R85-Y123 VanDerWaalsContact N-O 3.15Å; R85-Y123 VanDerWaalsContact NH2-CD1 3.31Å; R85-Y261 HydrophobicContact CB-CE2 4.13Å; R85-Y261 HydrophobicContact CG-CE2 4.33Å; R85-Y261 WeakPolarHBondContact CG-OH 3.44Å; R85-F304 WeakPolarHBondContact O-CE1 3.35Å; R85-F304 WeakPolarHBondContact O-CZ 3.4Å
86G93.3Very high97.7Very high0 Ų07.4 Ų7.40%03%0.029CC..SBendtrans-95.3179.8173.200000112.3H55 D84 Y303H55-G86 WeakPolarHBondContact O-CA 3.44Å; H55-G86 PolarHBondContact O-N 3.48Å; D84-G86 PolarHBondContact O-N 2.84Å; G86-Y303 PolarHBondContact O-OH 2.87Å
87Y92.7Very high97.7Very high43 Ų437.4 Ų7.417%0.1693%0.029CC..SBendtrans-92.7-16-180-67.6-41.8000113.4Y263 I295 P296 T301 F304Y87-Y263 HydrophobicContact CD1-CE2 4.42Å; Y87-Y263 HydrophobicContact CD2-CD2 4.44Å; Y87-Y263 HydrophobicContact CD2-CE1 4.45Å; Y87-Y263 AromaticContact CD2-CE2 3.45Å; Y87-Y263 HydrophobicContact CD2-CE2 3.45Å; Y87-Y263 VanDerWaalsContact CD2-CE2 3.45Å; Y87-Y263 AromaticContact CD2-CZ 3.45Å; Y87-Y263 VanDerWaalsContact CD2-CZ 3.45Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.1Å; Y87-Y263 HydrophobicContact CE1-CE2 4.24Å; Y87-Y263 AromaticContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CE1 4.45Å; Y87-Y263 AromaticContact CE2-CE2 3.16Å; Y87-Y263 HydrophobicContact CE2-CE2 3.16Å; Y87-Y263 AromaticContact CE2-CZ 3.58Å; Y87-Y263 HydrophobicContact CG-CE2 4.07Å; Y87-Y263 AromaticContact CZ-CE2 3.6Å; Y87-Y263 PolarHBondContact N-OH 3.47Å; Y87-I295 HydrophobicContact CE2-CG2 4.29Å; Y87-P296 HydrophobicContact CD1-CG 3.75Å; Y87-P296 HydrophobicContact CD2-CG 4.06Å; Y87-P296 HydrophobicContact CE1-CG 4.33Å; Y87-P296 HydrophobicContact CG-CG 3.6Å; Y87-T301 HydrophobicContact CD1-CG2 3.6Å; Y87-T301 HydrophobicContact CE1-CG2 4.12Å; Y87-F304 AromaticContact CD1-CD2 3.86Å; Y87-F304 HydrophobicContact CD1-CD2 3.86Å; Y87-F304 AromaticContact CD1-CE2 3.16Å; Y87-F304 HydrophobicContact CD1-CE2 3.16Å; Y87-F304 AromaticContact CD1-CZ 3.56Å; Y87-F304 HydrophobicContact CD1-CZ 3.56Å; Y87-F304 HydrophobicContact CE1-CD1 4.27Å; Y87-F304 AromaticContact CE1-CD2 3.37Å; Y87-F304 HydrophobicContact CE1-CD2 3.37Å; Y87-F304 HydrophobicContact CE1-CE1 4.02Å; Y87-F304 AromaticContact CE1-CE2 3.06Å; Y87-F304 HydrophobicContact CE1-CE2 3.06Å; Y87-F304 AromaticContact CE1-CG 3.93Å; Y87-F304 HydrophobicContact CE1-CG 3.93Å; Y87-F304 AromaticContact CE1-CZ 3.36Å; Y87-F304 HydrophobicContact CE1-CZ 3.36Å; Y87-F304 HydrophobicContact CG-CE2 4.21Å; Y87-F304 HydrophobicContact CG-CZ 4.27Å; Y87-F304 AromaticContact CZ-CZ 3.87Å
88Y96.6Very high97.7Very high21 Ų217.4 Ų7.48%0.0823%0.029CC..  trans-132.541.3-165.2-60.7-74.8000111.4C16 G56 F58 Y59 L90 E91 T92 V294C16-Y88 WeakPolarHBondContact SG-CD1 3.03Å; G56-Y88 CarbonylContact O-C 3.5Å; G56-Y88 WeakPolarHBondContact O-CA 3.29Å; G56-Y88 WeakPolarHBondContact O-CB 3.4Å; G56-Y88 PolarHBondContact O-N 2.86Å; G56-Y88 VanDerWaalsContact O-N 3.07Å; F58-Y88 HydrophobicContact CB-CD2 4.49Å; F58-Y88 HydrophobicContact CB-CG 4.15Å; Y59-Y88 HydrophobicContact CD2-CD2 4.31Å; Y59-Y88 HydrophobicContact CD2-CE2 4.2Å; Y59-Y88 AromaticContact CE2-CD2 3.99Å; Y59-Y88 HydrophobicContact CE2-CD2 3.99Å; Y59-Y88 AromaticContact CE2-CE2 3.56Å; Y59-Y88 HydrophobicContact CE2-CE2 3.56Å; Y59-Y88 AromaticContact CE2-CZ 4Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 2.87Å; Y88-E91 VanDerWaalsContact CA-OE2 3.3Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.38Å; Y88-E91 PolarHBondContact O-N 3.27Å; Y88-T92 WeakPolarHBondContact O-CB 3.47Å; Y88-T92 PolarHBondContact O-N 2.64Å; Y88-T92 PolarHBondContact O-OG1 3.41Å; Y88-V294 WeakPolarHBondContact CE2-O 3.46Å; Y88-V294 PolarHBondContact OH-O 2.94Å
89S98.1Very high97.7Very high0 Ų07.6 Ų7.60%03%0.03CC..Hα-helixtrans-63-40.1-179.9-450000111.2D84 T92 F93 E128D84-S89 PolarHBondContact N-OG 3.11Å; D84-S89 VanDerWaalsContact N-OG 3.12Å; S89-T92 PolarHBondContact O-N 2.93Å; S89-F93 WeakPolarHBondContact O-CB 3.48Å; S89-F93 PolarHBondContact O-N 3.23Å; S89-E128 WeakPolarHBondContact CA-OE2 3.49Å; S89-E128 WeakPolarHBondContact CB-OE2 3.38Å; S89-E128 PolarHBondContact N-OE1 2.84Å; S89-E128 PolarHBondContact N-OE2 2.62Å; S89-E128 PolarHBondContact OG-OE2 3.18Å
90L97.9Very high97.7Very high1 Ų17.6 Ų7.61%0.0053%0.03CC..Hα-helixtrans-63.4-48.8178.8177.569000111.2Y18 L24 Y88 T94 F125 E128 K132 Y133Y18-L90 HydrophobicContact CD1-CD2 4.42Å; Y18-L90 HydrophobicContact CD2-CD2 4.44Å; Y18-L90 HydrophobicContact CG-CD2 3.92Å; L24-L90 HydrophobicContact CD2-CD1 4.14Å; Y88-L90 VanDerWaalsContact C-N 3.3Å; Y88-L90 PolarHBondContact O-N 2.87Å; L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 PolarHBondContact O-N 3.23Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L90-F125 HydrophobicContact CB-CE2 4.22Å; L90-F125 HydrophobicContact CD1-CE2 4.49Å; L90-E128 VanDerWaalsContact CB-OE1 3.28Å; L90-E128 WeakPolarHBondContact CB-OE1 3.49Å; L90-E128 PolarHBondContact N-OE1 3.33Å; L90-K132 HydrophobicContact CB-CD 4.47Å; L90-K132 HydrophobicContact CD2-CB 4.24Å; L90-K132 HydrophobicContact CD2-CD 3.63Å; L90-Y133 HydrophobicContact CD1-CE2 4.06Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.39Å; L90-Y133 HydrophobicContact CG-CE2 4.33Å
91E98.3Very high97.7Very high6 Ų67.7 Ų7.73%0.0283%0.031CC..Hα-helixtrans-66.4-40.5178.5-65.579.8-178.300111.2F58 Y88 Y95 K132F58-E91 HydrophobicContact CD2-CB 3.81Å; F58-E91 HydrophobicContact CE2-CB 4.17Å; F58-E91 HydrophobicContact CG-CB 4.41Å; Y88-E91 VanDerWaalsContact CA-OE2 3.3Å; Y88-E91 WeakPolarHBondContact CA-OE2 3.38Å; Y88-E91 PolarHBondContact O-N 3.27Å; E91-Y95 VanDerWaalsContact O-CB 3.25Å; E91-Y95 WeakPolarHBondContact O-CB 3.33Å; E91-Y95 PolarHBondContact O-N 2.92Å; E91-K132 WeakPolarHBondContact OE1-CE 3.18Å; E91-K132 IonicContact OE1-NZ 2.62Å; E91-K132 PolarHBondContact OE1-NZ 3.43Å; E91-K132 IonicContact OE2-NZ 3.64Å; E91-K132 PolarHBondContact OE2-NZ 2.76Å
92T98.8Very high97.6Very high0 Ų010 Ų100%04%0.041CC..Hα-helixtrans-58.2-55.3176.6-62.10000110.4I54 F58 L61 Y88 S89 Y95 L96I54-T92 HydrophobicContact CB-CG2 4.3Å; I54-T92 HydrophobicContact CG2-CG2 3.48Å; I54-T92 VanDerWaalsContact CG2-CG2 3.48Å; F58-T92 WeakPolarHBondContact CA-OG1 3.4Å; L61-T92 HydrophobicContact CD2-CG2 3.87Å; Y88-T92 WeakPolarHBondContact O-CB 3.47Å; Y88-T92 PolarHBondContact O-N 2.64Å; Y88-T92 PolarHBondContact O-OG1 3.41Å; S89-T92 PolarHBondContact O-N 2.93Å; T92-Y95 PolarHBondContact O-N 2.85Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.45Å; T92-L96 VanDerWaalsContact O-N 3.13Å
93F98.8Very high97.6Very high0 Ų013 Ų130%05%0.052CC..Hα-helixtrans-67.5-42.8-178.2-170.1-126.7000111.5F82 V83 S89 Y95 L96 L97 C142 V145 F146F82-F93 HydrophobicContact CB-CD2 3.99Å; F82-F93 AromaticContact CD2-CD2 3.57Å; F82-F93 HydrophobicContact CD2-CD2 3.57Å; F82-F93 AromaticContact CD2-CE2 3.59Å; F82-F93 HydrophobicContact CD2-CE2 3.59Å; F82-F93 HydrophobicContact CE2-CD2 4.43Å; F82-F93 HydrophobicContact CE2-CE2 4.09Å; F82-F93 HydrophobicContact CG-CD2 4.04Å; F82-F93 HydrophobicContact CG-CE2 4.48Å; V83-F93 HydrophobicContact CG1-CB 4.01Å; V83-F93 HydrophobicContact CG1-CG 4.35Å; S89-F93 WeakPolarHBondContact O-CB 3.48Å; S89-F93 PolarHBondContact O-N 3.23Å; F93-Y95 VanDerWaalsContact C-N 3.28Å; F93-Y95 PolarHBondContact O-N 3.06Å; F93-L96 PolarHBondContact O-N 2.81Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.27Å; F93-L97 HydrophobicContact CD2-CG 4.39Å; F93-L97 HydrophobicContact CE1-CD1 3.59Å; F93-L97 HydrophobicContact CE1-CD2 4.21Å; F93-L97 HydrophobicContact CE1-CG 4.04Å; F93-L97 HydrophobicContact CE2-CD2 3.91Å; F93-L97 HydrophobicContact CE2-CG 4.16Å; F93-L97 HydrophobicContact CG-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 HydrophobicContact CZ-CD2 3.7Å; F93-L97 HydrophobicContact CZ-CG 3.98Å; F93-L97 VanDerWaalsContact O-CG 3.3Å; F93-L97 WeakPolarHBondContact O-CG 3.31Å; F93-L97 PolarHBondContact O-N 3.28Å; F93-C142 HydrophobicContact CD1-CB 4.06Å; F93-C142 HydrophobicContact CE1-CB 3.91Å; F93-V145 HydrophobicContact CE1-CB 4.4Å; F93-V145 HydrophobicContact CZ-CB 4.24Å; F93-V145 HydrophobicContact CZ-CG1 3.95Å; F93-F146 AromaticContact CD1-CE1 3.82Å; F93-F146 HydrophobicContact CD1-CE1 3.82Å; F93-F146 HydrophobicContact CD1-CZ 4.46Å; F93-F146 HydrophobicContact CD2-CE1 4.39Å; F93-F146 AromaticContact CE1-CD1 3.86Å; F93-F146 HydrophobicContact CE1-CD1 3.86Å; F93-F146 AromaticContact CE1-CE1 3.29Å; F93-F146 HydrophobicContact CE1-CE1 3.29Å; F93-F146 HydrophobicContact CE1-CZ 4.24Å; F93-F146 HydrophobicContact CE2-CD1 4.34Å; F93-F146 AromaticContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CG-CE1 4.34Å; F93-F146 AromaticContact CZ-CD1 3.62Å; F93-F146 HydrophobicContact CZ-CD1 3.62Å; F93-F146 AromaticContact CZ-CE1 3.38Å; F93-F146 HydrophobicContact CZ-CE1 3.38Å
94T98.7Very high97.6Very high0 Ų014.9 Ų14.90%06%0.064CC..Hα-helixtrans-59.1-39.7176.5-59.80000111.9A13 L19 L24 L27 L90 L97 A98A13-T94 HydrophobicContact CB-CG2 4.37Å; L19-T94 HydrophobicContact CD1-CG2 3.7Å; L19-T94 HydrophobicContact CG-CG2 3.79Å; L24-T94 HydrophobicContact CD1-CG2 4.39Å; L27-T94 HydrophobicContact CD2-CG2 4.21Å; L90-T94 WeakPolarHBondContact O-CB 3.36Å; L90-T94 PolarHBondContact O-N 3.23Å; L90-T94 PolarHBondContact O-OG1 3.1Å; T94-L97 PolarHBondContact O-N 3.29Å; T94-A98 WeakPolarHBondContact O-CB 3.15Å; T94-A98 PolarHBondContact O-N 2.85Å
95Y98.8Very high97.5Very high11 Ų1122 Ų224%0.04310%0.102CC..Hα-helixtrans-65.2-47.2177.4-174.1-143.3000111.4V10 A13 R14 F58 L61 F65 E91 T92 F93 L97 A98 L99V10-Y95 HydrophobicContact CG1-CE2 4.23Å; A13-Y95 HydrophobicContact CB-CD2 3.88Å; A13-Y95 HydrophobicContact CB-CG 4.28Å; R14-Y95 HydrophobicContact CB-CE2 3.95Å; R14-Y95 HydrophobicContact CG-CE2 4.37Å; F58-Y95 HydrophobicContact CE2-CD1 4.09Å; F58-Y95 HydrophobicContact CE2-CG 4.32Å; L61-Y95 HydrophobicContact CD2-CD1 4.03Å; F65-Y95 AromaticContact CD2-CE1 3.89Å; F65-Y95 HydrophobicContact CD2-CE1 3.89Å; F65-Y95 HydrophobicContact CE2-CD1 4.12Å; F65-Y95 AromaticContact CE2-CE1 3.56Å; F65-Y95 HydrophobicContact CE2-CE1 3.56Å; E91-Y95 VanDerWaalsContact O-CB 3.25Å; E91-Y95 WeakPolarHBondContact O-CB 3.33Å; E91-Y95 PolarHBondContact O-N 2.92Å; T92-Y95 PolarHBondContact O-N 2.85Å; F93-Y95 VanDerWaalsContact C-N 3.28Å; F93-Y95 PolarHBondContact O-N 3.06Å; Y95-L97 VanDerWaalsContact C-N 3.33Å; Y95-L97 PolarHBondContact O-N 3.44Å; Y95-A98 PolarHBondContact O-N 2.86Å; Y95-L99 HydrophobicContact CD1-CD1 4.48Å; Y95-L99 HydrophobicContact CD2-CD1 4.4Å; Y95-L99 HydrophobicContact CD2-CG 4.18Å; Y95-L99 HydrophobicContact CE1-CD1 4.21Å; Y95-L99 HydrophobicContact CE2-CD1 4.11Å; Y95-L99 HydrophobicContact CE2-CD2 3.9Å; Y95-L99 HydrophobicContact CE2-CG 3.97Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.3Å; Y95-L99 PolarHBondContact O-N 3.4Å
96L98.8Very high97.7Very high0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-60.2-40.5175.5-67.2174.3000112.3L61 F65 F78 F82 T92 F93 L99 K100 L109L61-L96 HydrophobicContact CD1-CD2 4.4Å; L61-L96 HydrophobicContact CD2-CD2 4.24Å; L61-L96 HydrophobicContact CD2-CG 4.21Å; F65-L96 HydrophobicContact CZ-CD2 4.24Å; F78-L96 HydrophobicContact CD1-CD2 4.29Å; F78-L96 HydrophobicContact CD2-CD2 4.12Å; F78-L96 HydrophobicContact CE1-CD2 3.98Å; F78-L96 HydrophobicContact CE2-CD2 3.79Å; F78-L96 HydrophobicContact CG-CD2 4.37Å; F78-L96 HydrophobicContact CZ-CD2 3.73Å; F82-L96 HydrophobicContact CB-CD1 4.36Å; F82-L96 HydrophobicContact CD1-CD1 3.56Å; F82-L96 HydrophobicContact CE1-CD1 4.08Å; F82-L96 HydrophobicContact CG-CD1 3.96Å; T92-L96 WeakPolarHBondContact O-CG 3.42Å; T92-L96 PolarHBondContact O-N 3.45Å; T92-L96 VanDerWaalsContact O-N 3.13Å; F93-L96 PolarHBondContact O-N 2.81Å; L96-L99 PolarHBondContact O-N 2.84Å; L96-K100 WeakPolarHBondContact O-CB 3.49Å; L96-K100 PolarHBondContact O-N 2.69Å; L96-L109 HydrophobicContact CB-CD1 4.48Å; L96-L109 HydrophobicContact CB-CD2 4.3Å
97L98.8Very high98Very high0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-64.7-41.4174.9-67.7-174.5000112.5L27 V31 F93 T94 Y95 L99 K100 A101 L109 V145L27-L97 HydrophobicContact CD2-CB 3.96Å; L27-L97 HydrophobicContact CG-CB 4.17Å; V31-L97 HydrophobicContact CB-CD2 4.33Å; V31-L97 HydrophobicContact CG1-CD2 3.81Å; V31-L97 HydrophobicContact CG2-CB 4.31Å; V31-L97 HydrophobicContact CG2-CD2 4.36Å; F93-L97 HydrophobicContact CD1-CD1 3.9Å; F93-L97 HydrophobicContact CD1-CG 4.27Å; F93-L97 HydrophobicContact CD2-CG 4.39Å; F93-L97 HydrophobicContact CE1-CD1 3.59Å; F93-L97 HydrophobicContact CE1-CD2 4.21Å; F93-L97 HydrophobicContact CE1-CG 4.04Å; F93-L97 HydrophobicContact CE2-CD2 3.91Å; F93-L97 HydrophobicContact CE2-CG 4.16Å; F93-L97 HydrophobicContact CG-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 HydrophobicContact CZ-CD2 3.7Å; F93-L97 HydrophobicContact CZ-CG 3.98Å; F93-L97 VanDerWaalsContact O-CG 3.3Å; F93-L97 WeakPolarHBondContact O-CG 3.31Å; F93-L97 PolarHBondContact O-N 3.28Å; T94-L97 PolarHBondContact O-N 3.29Å; Y95-L97 VanDerWaalsContact C-N 3.33Å; Y95-L97 PolarHBondContact O-N 3.44Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-K100 PolarHBondContact O-N 3.18Å; L97-A101 VanDerWaalsContact O-CB 3.31Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 2.96Å; L97-L109 HydrophobicContact CD2-CD1 4.21Å; L97-V145 HydrophobicContact CD1-CG2 4.48Å; L97-V145 HydrophobicContact CD2-CG1 3.8Å
98A98.6Very high98.3Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-64.7-40.1177.100000111.4V10 L27 T94 Y95 A101 K102V10-A98 HydrophobicContact CG2-CB 3.76Å; L27-A98 HydrophobicContact CD2-CB 4.25Å; T94-A98 WeakPolarHBondContact O-CB 3.15Å; T94-A98 PolarHBondContact O-N 2.85Å; Y95-A98 PolarHBondContact O-N 2.86Å; A98-A101 PolarHBondContact O-N 3.49Å; A98-K102 VanDerWaalsContact O-CB 3.3Å; A98-K102 WeakPolarHBondContact O-CB 3.45Å; A98-K102 PolarHBondContact O-N 3.15Å
99L98.7Very high98.4Very high4 Ų421 Ų212%0.02110%0.099CC..Hα-helixtrans-63.9-45.6173.1-64.5177.5000111.5V10 F65 V71 Y95 L96 L97 A101 K102 W103 I107V10-L99 HydrophobicContact CG1-CD2 4.3Å; V10-L99 HydrophobicContact CG2-CD2 4.39Å; F65-L99 HydrophobicContact CE1-CD1 4.27Å; F65-L99 HydrophobicContact CE2-CD1 4.01Å; F65-L99 HydrophobicContact CZ-CD1 3.54Å; V71-L99 HydrophobicContact CB-CD2 4.49Å; Y95-L99 HydrophobicContact CD1-CD1 4.48Å; Y95-L99 HydrophobicContact CD2-CD1 4.4Å; Y95-L99 HydrophobicContact CD2-CG 4.18Å; Y95-L99 HydrophobicContact CE1-CD1 4.21Å; Y95-L99 HydrophobicContact CE2-CD1 4.11Å; Y95-L99 HydrophobicContact CE2-CD2 3.9Å; Y95-L99 HydrophobicContact CE2-CG 3.97Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.3Å; Y95-L99 PolarHBondContact O-N 3.4Å; L96-L99 PolarHBondContact O-N 2.84Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.26Å; L99-K102 PolarHBondContact O-N 2.92Å; L99-W103 HydrophobicContact CD2-CE3 3.91Å; L99-W103 HydrophobicContact CD2-CZ3 3.49Å; L99-W103 VanDerWaalsContact CD2-CZ3 3.49Å; L99-W103 PolarHBondContact O-N 3Å; L99-I107 HydrophobicContact CB-CD1 4.27Å; L99-I107 HydrophobicContact CB-CG1 4.1Å; L99-I107 HydrophobicContact CD1-CD1 4.41Å
100K98.7Very high98.4Very high0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-58.8-46.5175.6177.262.6-178.4175.90111.9V31 E38 L96 L97 K102 W103 P104 I107 L109V31-K100 HydrophobicContact CG1-CG 4.09Å; E38-K100 WeakPolarHBondContact OE1-CE 3.42Å; E38-K100 IonicContact OE1-NZ 2.81Å; E38-K100 PolarHBondContact OE1-NZ 3.37Å; E38-K100 IonicContact OE2-NZ 2.69Å; L96-K100 WeakPolarHBondContact O-CB 3.49Å; L96-K100 PolarHBondContact O-N 2.69Å; L97-K100 PolarHBondContact O-N 3.18Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.3Å; K100-W103 CarbonylContact O-C 3.57Å; K100-P104 PolarHBondContact NZ-O 2.73Å; K100-P104 WeakPolarHBondContact O-CA 3.38Å; K100-P104 VanDerWaalsContact O-N 3.11Å; K100-I107 HydrophobicContact CB-CG2 3.99Å; K100-I107 HydrophobicContact CD-CB 4.37Å; K100-I107 HydrophobicContact CD-CG2 4.14Å; K100-I107 WeakPolarHBondContact CD-O 3.42Å; K100-I107 WeakPolarHBondContact CE-O 3.28Å; K100-I107 PolarHBondContact NZ-O 2.99Å; K100-L109 HydrophobicContact CB-CD1 4.12Å; K100-L109 HydrophobicContact CG-CD1 4.38Å
101A98.4Very high98.5Very high3 Ų321 Ų213%0.02510%0.099CC..Hα-helixtrans-63.1-40.3179.100000112.1L6 L27 Y30 V31 L97 A98 L99L6-A101 HydrophobicContact CD1-CB 4.23Å; L6-A101 WeakPolarHBondContact CD1-O 3.19Å; L6-A101 HydrophobicContact CD2-CB 3.77Å; L27-A101 HydrophobicContact CD1-CB 3.61Å; Y30-A101 HydrophobicContact CD1-CB 3.73Å; Y30-A101 HydrophobicContact CE1-CB 3.85Å; V31-A101 HydrophobicContact CG2-CB 3.94Å; L97-A101 VanDerWaalsContact O-CB 3.31Å; L97-A101 WeakPolarHBondContact O-CB 3.45Å; L97-A101 PolarHBondContact O-N 2.96Å; A98-A101 PolarHBondContact O-N 3.49Å; L99-A101 PolarHBondContact O-N 3.26Å
102K98.2Very high98.5Very high48 Ų4820.7 Ų20.721%0.20910%0.098CC..Hα-helixtrans-78.2-36.2-176.9-169175.4175.267.50113L6 D7 V10 A98 L99 K100L6-K102 HydrophobicContact CB-CB 4.24Å; L6-K102 HydrophobicContact CB-CG 4.33Å; L6-K102 HydrophobicContact CD1-CB 4.43Å; D7-K102 WeakPolarHBondContact OD1-CE 3.42Å; D7-K102 IonicContact OD1-NZ 2.73Å; D7-K102 PolarHBondContact OD1-NZ 3.2Å; D7-K102 IonicContact OD2-NZ 2.8Å; D7-K102 PolarHBondContact OD2-NZ 2.74Å; V10-K102 HydrophobicContact CG2-CB 4.43Å; V10-K102 HydrophobicContact CG2-CD 3.86Å; A98-K102 VanDerWaalsContact O-CB 3.3Å; A98-K102 WeakPolarHBondContact O-CB 3.45Å; A98-K102 PolarHBondContact O-N 3.15Å; L99-K102 PolarHBondContact O-N 2.92Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.3Å
103W98.3Very high98.5Very high64 Ų6420.8 Ų20.824%0.24210%0.098CC..  trans-134.968.2-175.8-60.1-65.1000110.7V71 P72 L99 K100 D105 R106 I107V71-W103 HydrophobicContact CB-CE3 4.13Å; V71-W103 HydrophobicContact CB-CZ3 4.25Å; V71-W103 HydrophobicContact CG1-CB 4.03Å; V71-W103 HydrophobicContact CG1-CD2 3.73Å; V71-W103 HydrophobicContact CG1-CE3 3.34Å; V71-W103 HydrophobicContact CG1-CG 4.06Å; V71-W103 HydrophobicContact CG1-CZ3 3.95Å; P72-W103 HydrophobicContact CB-CD2 4.18Å; P72-W103 HydrophobicContact CB-CG 4.03Å; P72-W103 HydrophobicContact CG-CZ2 4.22Å; L99-W103 HydrophobicContact CD2-CE3 3.91Å; L99-W103 HydrophobicContact CD2-CZ3 3.49Å; L99-W103 VanDerWaalsContact CD2-CZ3 3.49Å; L99-W103 PolarHBondContact O-N 3Å; K100-W103 CarbonylContact O-C 3.57Å; W103-D105 PolarHBondContact O-N 2.74Å; W103-R106 HydrophobicContact CB-CB 3.88Å; W103-R106 HydrophobicContact CB-CG 3.86Å; W103-R106 PolarHBondContact O-N 3.25Å; W103-I107 PolarHBondContact O-N 3.05Å
104P97.6Very high98.5Very high39 Ų3921.2 Ų21.225%0.25310%0.1SC..THydrogen-bonded Turntrans-58.3-33.8-172.221.2-33.2000113.6L34 K100 R106L34-P104 HydrophobicContact CD1-CB 4.3Å; L34-P104 HydrophobicContact CD2-CB 4.36Å; K100-P104 PolarHBondContact NZ-O 2.73Å; K100-P104 WeakPolarHBondContact O-CA 3.38Å; K100-P104 VanDerWaalsContact O-N 3.11Å; P104-R106 VanDerWaalsContact C-N 3.29Å; P104-R106 PolarHBondContact O-N 3.43Å
105D96.6Very high98.5Very high149 Ų14921.2 Ų21.280%0.79710%0.1SC*.THydrogen-bonded Turntrans-80.7-6.7179.8-52.6-46.8000113.7W103W103-D105 PolarHBondContact O-N 2.74Å
106R98.2Very high98.5Very high106 Ų10621 Ų2140%0.410%0.1SC..THydrogen-bonded Turntrans-104.9-17.5-176-56.4-62.2-178.4178.40.5113.4V71 P72 N75 Y76 W103 P104V71-R106 HydrophobicContact CG1-CB 4.06Å; P72-R106 HydrophobicContact CB-CG 4.22Å; N75-R106 CarbonylContact C-O 3.6Å; N75-R106 WeakPolarHBondContact CA-O 3.3Å; N75-R106 WeakPolarHBondContact OD1-CD 3.44Å; N75-R106 PolarHBondContact OD1-NH1 2.8Å; Y76-R106 PolarHBondContact N-O 3.3Å; W103-R106 HydrophobicContact CB-CB 3.88Å; W103-R106 HydrophobicContact CB-CG 3.86Å; W103-R106 PolarHBondContact O-N 3.25Å; P104-R106 VanDerWaalsContact C-N 3.29Å; P104-R106 PolarHBondContact O-N 3.43Å
107I98.3Very high98.5Very high0 Ų024.1 Ų24.10%011%0.112CC..EExtended strand (participates in β ladder)trans-128.5118.5-175.3-70.8-87.8000108.6V71 Y76 F78 L99 K100 W103 L109V71-I107 HydrophobicContact CG1-CG1 4.42Å; V71-I107 HydrophobicContact CG2-CD1 3.98Å; V71-I107 HydrophobicContact CG2-CG1 4.31Å; Y76-I107 HydrophobicContact CG-CD1 4.49Å; F78-I107 HydrophobicContact CD2-CD1 4.39Å; F78-I107 HydrophobicContact CE2-CD1 3.81Å; L99-I107 HydrophobicContact CB-CD1 4.27Å; L99-I107 HydrophobicContact CB-CG1 4.1Å; L99-I107 HydrophobicContact CD1-CD1 4.41Å; K100-I107 HydrophobicContact CB-CG2 3.99Å; K100-I107 HydrophobicContact CD-CB 4.37Å; K100-I107 HydrophobicContact CD-CG2 4.14Å; K100-I107 WeakPolarHBondContact CD-O 3.42Å; K100-I107 WeakPolarHBondContact CE-O 3.28Å; K100-I107 PolarHBondContact NZ-O 2.99Å; W103-I107 PolarHBondContact O-N 3.05Å; I107-L109 HydrophobicContact CG2-CD1 4.43Å; I107-L109 HydrophobicContact CG2-CD2 3.66Å; I107-L109 HydrophobicContact CG2-CG 3.82Å
108T98.9Very high98.3Very high10 Ų1028.1 Ų28.16%0.06113%0.131CC..EExtended strand (participates in β ladder)trans-108.2127.1169.5-56.50000108.7Q42 V44 Y76 I77 F78 L110 A153Q42-T108 HydrophobicContact CB-CG2 4.14Å; Q42-T108 HydrophobicContact CG-CG2 4.02Å; V44-T108 HydrophobicContact CG2-CG2 4.36Å; Y76-T108 PolarHBondContact O-N 3.4Å; I77-T108 WeakPolarHBondContact CA-O 3.42Å; I77-T108 HydrophobicContact CG1-CG2 4.49Å; F78-T108 PolarHBondContact N-O 2.84Å; T108-L110 HydrophobicContact CG2-CD2 4.01Å; T108-A153 HydrophobicContact CG2-CB 4.22Å
109L98.9Very high98.3Very high0 Ų029.3 Ų29.30%014%0.137CC..EExtended strand (participates in β ladder)trans-114.1115.1-179.7-58178.9000108.9F78 F82 L96 L97 K100 I107 L149 T150F78-L109 HydrophobicContact CB-CD2 4.05Å; F78-L109 HydrophobicContact CD2-CD2 4.08Å; F78-L109 HydrophobicContact CG-CD2 4.34Å; F82-L109 HydrophobicContact CE2-CB 4.47Å; F82-L109 HydrophobicContact CZ-CB 4.21Å; F82-L109 HydrophobicContact CZ-CD2 4.15Å; L96-L109 HydrophobicContact CB-CD1 4.48Å; L96-L109 HydrophobicContact CB-CD2 4.3Å; L97-L109 HydrophobicContact CD2-CD1 4.21Å; K100-L109 HydrophobicContact CB-CD1 4.12Å; K100-L109 HydrophobicContact CG-CD1 4.38Å; I107-L109 HydrophobicContact CG2-CD1 4.43Å; I107-L109 HydrophobicContact CG2-CD2 3.66Å; I107-L109 HydrophobicContact CG2-CG 3.82Å; L109-L149 HydrophobicContact CB-CD2 3.66Å; L109-L149 HydrophobicContact CD1-CD2 4.44Å; L109-T150 PolarHBondContact O-N 3.16Å; L109-T150 PolarHBondContact O-OG1 2.96Å
110L98.9Very high98.2Very high0 Ų029.1 Ų29.10%014%0.136CC..BIsolated β-bridgetrans-89.3158.8172.1-47.9-169.7000110.1I77 F78 M79 F82 T108 T150 A153 C161I77-L110 HydrophobicContact CG2-CD1 4.22Å; I77-L110 HydrophobicContact CG2-CG 4.16Å; F78-L110 PolarHBondContact O-N 2.94Å; M79-L110 HydrophobicContact CB-CD1 4.39Å; M79-L110 HydrophobicContact CG-CD1 4.09Å; F82-L110 VanDerWaalsContact CZ-O 3.3Å; F82-L110 WeakPolarHBondContact CZ-O 3.46Å; T108-L110 HydrophobicContact CG2-CD2 4.01Å; L110-T150 CarbonylContact C-O 3.51Å; L110-T150 VanDerWaalsContact CA-O 3.26Å; L110-T150 WeakPolarHBondContact CA-O 3.38Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.44Å; L110-A153 HydrophobicContact CD2-CB 3.98Å; L110-C161 HydrophobicContact CD1-CB 4.07Å; L110-C161 WeakPolarHBondContact CD1-O 3.39Å
111R98.9Very high98.1Very high0 Ų034 Ų340%016%0.159CC..  trans-85.4122.2175.2-160.7176.9-173.8167.46.5110.5E115 F146 D147 L149 T150 R181 Q183 I185 V195R111-E115 HydrophobicContact CG-CB 3.87Å; R111-E115 PolarHBondContact NE-O 2.82Å; R111-E115 PolarHBondContact NH2-O 2.92Å; R111-F146 VanDerWaalsContact CD-O 3.31Å; R111-F146 WeakPolarHBondContact CD-O 3.25Å; R111-F146 PolarHBondContact NE-O 3.44Å; R111-F146 VanDerWaalsContact NE-O 3.13Å; R111-F146 PolarHBondContact NH1-O 2.84Å; R111-D147 IonicContact CZ-OD1 3.12Å; R111-D147 IonicContact NH1-OD1 2.74Å; R111-D147 IonicContact NH2-OD1 3.6Å; R111-D147 PolarHBondContact NH2-OD1 2.8Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.37Å; R111-L149 HydrophobicContact CG-CB 4.08Å; R111-L149 HydrophobicContact CG-CD1 4.22Å; R111-T150 PolarHBondContact N-O 3.13Å; R111-R181 PolarHBondContact NH1-O 2.75Å; R111-Q183 PolarHBondContact NH1-O 2.91Å; R111-Q183 PolarHBondContact NH2-O 2.74Å; R111-I185 HydrophobicContact CG-CD1 4.48Å; R111-V195 WeakPolarHBondContact O-CG1 3.42Å
112G98.8Very high97.9Very high0 Ų038.6 Ų38.60%019%0.186CC..  trans-87.417416600000112.2D81 H114 E115 H163D81-G112 WeakPolarHBondContact OD1-CA 3.48Å; G112-H114 PolarHBondContact O-N 3.02Å; G112-E115 WeakPolarHBondContact CA-OE2 3.34Å; G112-E115 PolarHBondContact N-OE2 3.4Å; G112-E115 PolarHBondContact O-N 3.36Å; G112-H163 WeakPolarHBondContact CA-CD2 3.31Å; G112-H163 VanDerWaalsContact CA-CG 3.49Å
113N98.7Very high97.6Very high3 Ų340.4 Ų40.42%0.01619%0.192CC..THydrogen-bonded Turntrans-72.8-20.3177.265.9-71.8000112.2D81 S116 H163 V195 W196 H237D81-N113 PolarHBondContact OD1-N 2.58Å; D81-N113 PolarHBondContact OD1-OD1 2.86Å; D81-N113 PolarHBondContact OD2-OD1 3.18Å; N113-S116 WeakPolarHBondContact O-CB 3.19Å; N113-H163 PolarHBondContact N-CD2 2.87Å; N113-H163 VanDerWaalsContact N-CD2 3.31Å; N113-H163 PolarHBondContact OD1-CD2 2.9Å; N113-H163 PolarHBondContact OD1-NE2 3.31Å; N113-V195 HydrophobicContact CB-CB 4.24Å; N113-V195 HydrophobicContact CB-CG2 4.18Å; N113-W196 HydrophobicContact CB-CD2 3.91Å; N113-W196 HydrophobicContact CB-CE3 4.46Å; N113-W196 HydrophobicContact CB-CG 4.32Å; N113-W196 HydrophobicContact CB-CH2 4.37Å; N113-W196 HydrophobicContact CB-CZ2 3.78Å; N113-W196 VanDerWaalsContact ND2-CH2 3.28Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.43Å; N113-W196 WeakPolarHBondContact ND2-CZ2 3.49Å; N113-H237 VanDerWaalsContact CG-CE1 3.45Å; N113-H237 PolarHBondContact OD1-CE1 2.78Å; N113-H237 PolarHBondContact OD1-ND1 3.33Å
114H98.6Very high97.4Very high9 Ų937.4 Ų37.44%0.04218%0.181CC..THydrogen-bonded Turntrans-78.6-16.7173.8-82-96.9000114H55 D81 V83 D84 G112 S116 I119 T120H55-H114 AromaticContact CE1-CD2 3.52Å; H55-H114 AromaticContact CE1-CG 3.81Å; H55-H114 AromaticContact CE1-NE2 3.69Å; D81-H114 HydrophobicContact CB-CB 4.41Å; D81-H114 WeakPolarHBondContact OD1-CB 3.49Å; D81-H114 IonicContact OD1-CD2 3.77Å; D81-H114 IonicContact OD1-CG 3.87Å; D81-H114 PolarHBondContact OD1-N 2.96Å; D81-H114 IonicContact OD2-CD2 3.72Å; D81-H114 PolarHBondContact OD2-CD2 3.45Å; V83-H114 HydrophobicContact CG2-CB 4.36Å; D84-H114 VanDerWaalsContact CB-ND1 3.34Å; D84-H114 WeakPolarHBondContact CB-ND1 3.36Å; D84-H114 IonicContact OD2-CE1 3.76Å; D84-H114 IonicContact OD2-CG 3.86Å; D84-H114 IonicContact OD2-ND1 3.44Å; D84-H114 PolarHBondContact OD2-ND1 2.87Å; G112-H114 PolarHBondContact O-N 3.02Å; H114-S116 PolarHBondContact O-N 2.93Å; H114-I119 HydrophobicContact CB-CG2 4.31Å; H114-I119 VanDerWaalsContact ND1-CG2 3.27Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.21Å; H114-T120 WeakPolarHBondContact O-CG2 3.46Å
115E98.8Very high97.4Very high0 Ų035.6 Ų35.60%017%0.169CC..SBendtrans-78.355.2170.6-74.772.3-135.100111.4D81 F82 V83 R111 G112 F146 L149D81-E115 PolarHBondContact N-OE2 3.1Å; F82-E115 HydrophobicContact CD2-CG 4Å; F82-E115 HydrophobicContact CE2-CG 4.4Å; F82-E115 PolarHBondContact N-OE1 3.15Å; V83-E115 PolarHBondContact N-OE1 2.77Å; R111-E115 HydrophobicContact CG-CB 3.87Å; R111-E115 PolarHBondContact NE-O 2.82Å; R111-E115 PolarHBondContact NH2-O 2.92Å; G112-E115 WeakPolarHBondContact CA-OE2 3.34Å; G112-E115 PolarHBondContact N-OE2 3.4Å; G112-E115 PolarHBondContact O-N 3.36Å; E115-F146 HydrophobicContact CB-CB 3.93Å; E115-F146 HydrophobicContact CB-CD1 3.77Å; E115-F146 HydrophobicContact CB-CD2 3.96Å; E115-F146 HydrophobicContact CB-CE1 4.22Å; E115-F146 HydrophobicContact CB-CE2 4.44Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.55Å; E115-F146 HydrophobicContact CG-CD2 4.38Å; E115-F146 HydrophobicContact CG-CE1 3.62Å; E115-F146 HydrophobicContact CG-CE2 4.48Å; E115-F146 HydrophobicContact CG-CG 3.97Å; E115-F146 HydrophobicContact CG-CZ 4.12Å; E115-F146 WeakPolarHBondContact O-CB 3.41Å; E115-L149 HydrophobicContact CB-CD1 4.01Å; E115-L149 HydrophobicContact CG-CD1 3.74Å
116S98.4Very high97.4Very high5 Ų531.6 Ų31.64%0.03514%0.144CC..SBendtrans-134.9140.9-176.3160.20000110.3N113 H114 Q118 I119 T120 E184N113-S116 WeakPolarHBondContact O-CB 3.19Å; H114-S116 PolarHBondContact O-N 2.93Å; S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 2.86Å; S116-Q118 PolarHBondContact OG-N 2.94Å; S116-I119 PolarHBondContact OG-N 3.4Å; S116-T120 WeakPolarHBondContact O-CB 3.12Å; S116-T120 VanDerWaalsContact O-CG2 3.26Å; S116-T120 WeakPolarHBondContact O-CG2 3.36Å; S116-T120 PolarHBondContact O-N 3.39Å; S116-T120 PolarHBondContact O-OG1 2.91Å; S116-E184 WeakPolarHBondContact CA-OE1 3.3Å; S116-E184 VanDerWaalsContact CB-OE1 3.26Å; S116-E184 WeakPolarHBondContact CB-OE1 3.5Å; S116-E184 PolarHBondContact OG-OE1 3.37Å
117R98.4Very high97.2Very high67 Ų6729.3 Ų29.325%0.25314%0.139SC..Hα-helixtrans-61.4-42.2175.5-69.4167.9-177.281.90.3111.6T120 Q121 W139 T143 D147 E184R117-T120 PolarHBondContact O-OG1 3.4Å; R117-Q121 VanDerWaalsContact O-CG 3.24Å; R117-Q121 WeakPolarHBondContact O-CG 3.17Å; R117-Q121 PolarHBondContact O-N 2.87Å; R117-Q121 PolarHBondContact O-OE1 3.44Å; R117-W139 HydrophobicContact CB-CH2 4.22Å; R117-W139 HydrophobicContact CB-CZ2 3.84Å; R117-W139 HydrophobicContact CG-CH2 4.14Å; R117-W139 HydrophobicContact CG-CZ2 3.91Å; R117-T143 HydrophobicContact CG-CG2 3.79Å; R117-T143 PolarHBondContact NH2-O 2.66Å; R117-D147 IonicContact CZ-OD1 3.71Å; R117-D147 IonicContact CZ-OD2 2.66Å; R117-D147 VanDerWaalsContact CZ-OD2 3.27Å; R117-D147 VanDerWaalsContact NH1-CG 3.3Å; R117-D147 IonicContact NH1-OD1 2.92Å; R117-D147 PolarHBondContact NH1-OD1 2.87Å; R117-D147 IonicContact NH1-OD2 3.37Å; R117-D147 PolarHBondContact NH1-OD2 3.18Å; R117-D147 IonicContact NH2-OD1 2.65Å; R117-D147 IonicContact NH2-OD2 3.78Å; R117-D147 PolarHBondContact NH2-OD2 3.21Å; R117-E184 WeakPolarHBondContact CB-OE2 3.37Å; R117-E184 WeakPolarHBondContact CD-OE2 3.46Å; R117-E184 VanDerWaalsContact CG-OE2 3.26Å; R117-E184 WeakPolarHBondContact CG-OE2 3.5Å; R117-E184 IonicContact CZ-OE2 3.02Å; R117-E184 PolarHBondContact N-OE1 3.18Å; R117-E184 PolarHBondContact N-OE2 2.88Å; R117-E184 IonicContact NE-OE2 2.66Å; R117-E184 IonicContact NH1-OE2 2.8Å; R117-E184 PolarHBondContact NH1-OE2 3.07Å
118Q96.3Very high97.1Very high84 Ų8429.6 Ų29.639%0.39314%0.14SC..Hα-helixtrans-67.6-42-176.1-59.9-177.69.400111.7S116 H187S116-Q118 VanDerWaalsContact C-N 3.31Å; S116-Q118 PolarHBondContact O-N 2.86Å; S116-Q118 PolarHBondContact OG-N 2.94Å; Q118-H187 PolarHBondContact NE2-CE1 3.34Å; Q118-H187 PolarHBondContact NE2-NE2 3.34Å; Q118-H187 VanDerWaalsContact NE2-NE2 3.19Å; Q118-H187 PolarHBondContact OE1-CE1 3.02Å
119I97.3Very high97Very high25 Ų2529.1 Ų29.113%0.12814%0.137CC..Hα-helixtrans-70.7-47.2-179.1-58.8-57.6000110.3H114 S116 Q121 V122 Y123 W196H114-I119 HydrophobicContact CB-CG2 4.31Å; H114-I119 VanDerWaalsContact ND1-CG2 3.27Å; H114-I119 WeakPolarHBondContact ND1-CG2 3.21Å; S116-I119 PolarHBondContact OG-N 3.4Å; I119-Q121 PolarHBondContact O-N 3.21Å; I119-V122 PolarHBondContact O-N 2.95Å; I119-Y123 HydrophobicContact CB-CD2 4.38Å; I119-Y123 HydrophobicContact CD1-CE2 4.31Å; I119-Y123 HydrophobicContact CG2-CD2 3.47Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.47Å; I119-Y123 HydrophobicContact CG2-CE2 3.98Å; I119-Y123 HydrophobicContact CG2-CG 4.48Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.5Å; I119-Y123 PolarHBondContact O-N 2.89Å; I119-W196 HydrophobicContact CD1-CH2 4.05Å; I119-W196 HydrophobicContact CD1-CZ2 3.86Å; I119-W196 HydrophobicContact CG1-CZ2 4.18Å
120T97.9Very high96.8Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-66.2-23.1-177.652.40000114.9V83 H114 S116 R117 V122 F125 Y126 W139 F146V83-T120 HydrophobicContact CG2-CG2 3.76Å; H114-T120 WeakPolarHBondContact O-CG2 3.46Å; S116-T120 WeakPolarHBondContact O-CB 3.12Å; S116-T120 VanDerWaalsContact O-CG2 3.26Å; S116-T120 WeakPolarHBondContact O-CG2 3.36Å; S116-T120 PolarHBondContact O-N 3.39Å; S116-T120 PolarHBondContact O-OG1 2.91Å; R117-T120 PolarHBondContact O-OG1 3.4Å; T120-V122 VanDerWaalsContact C-N 3.25Å; T120-V122 PolarHBondContact O-N 3.2Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.73Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.12Å; T120-Y126 VanDerWaalsContact O-CB 3.32Å; T120-Y126 WeakPolarHBondContact O-CB 3.44Å; T120-Y126 PolarHBondContact O-N 3.34Å; T120-W139 PolarHBondContact OG1-NE1 3.34Å; T120-F146 HydrophobicContact CG2-CE2 4.18Å
121Q95.7Very high96.6Very high103 Ų10336 Ų3648%0.48118%0.175SC..Hα-helixtrans-71.1-20.3172.1-77.7-179.1-52.700113.4R117 I119 Y126 W139R117-Q121 VanDerWaalsContact O-CG 3.24Å; R117-Q121 WeakPolarHBondContact O-CG 3.17Å; R117-Q121 PolarHBondContact O-N 2.87Å; R117-Q121 PolarHBondContact O-OE1 3.44Å; I119-Q121 PolarHBondContact O-N 3.21Å; Q121-Y126 HydrophobicContact CG-CD2 4.21Å; Q121-Y126 HydrophobicContact CG-CG 4.29Å; Q121-W139 HydrophobicContact CG-CH2 4.39Å; Q121-W139 HydrophobicContact CG-CZ2 3.89Å
122V93.5Very high96.4Very high99 Ų9937.8 Ų37.860%0.618%0.183SC*.Hα-helixtrans-105.7-34.6-176.5179.70000111.6I119 T120I119-V122 PolarHBondContact O-N 2.95Å; T120-V122 VanDerWaalsContact C-N 3.25Å; T120-V122 PolarHBondContact O-N 3.2Å
123Y92.9Very high96.3Very high86 Ų8639.4 Ų39.434%0.33719%0.189SC..Hα-helixtrans-106.79.2-167.3-64.5-69.4000115.8D84 R85 I119D84-Y123 WeakPolarHBondContact CB-O 3.5Å; D84-Y123 VanDerWaalsContact OD1-C 3.25Å; R85-Y123 PolarHBondContact N-O 2.82Å; R85-Y123 VanDerWaalsContact N-O 3.15Å; R85-Y123 VanDerWaalsContact NH2-CD1 3.31Å; I119-Y123 HydrophobicContact CB-CD2 4.38Å; I119-Y123 HydrophobicContact CD1-CE2 4.31Å; I119-Y123 HydrophobicContact CG2-CD2 3.47Å; I119-Y123 VanDerWaalsContact CG2-CD2 3.47Å; I119-Y123 HydrophobicContact CG2-CE2 3.98Å; I119-Y123 HydrophobicContact CG2-CG 4.48Å; I119-Y123 VanDerWaalsContact O-CD2 3.28Å; I119-Y123 WeakPolarHBondContact O-CD2 3.5Å; I119-Y123 PolarHBondContact O-N 2.89Å
124G93.4Very high96.2Very high1 Ų142 Ų421%0.0122%0.216CC..SBendtrans121.8-23.3157.700000116.2D84 Y126 D127 E128 Y303D84-G124 PolarHBondContact OD1-N 2.86Å; G124-Y126 VanDerWaalsContact C-N 3.34Å; G124-Y126 PolarHBondContact O-N 2.83Å; G124-D127 PolarHBondContact O-N 3.15Å; G124-E128 WeakPolarHBondContact O-CB 3.39Å; G124-E128 PolarHBondContact O-N 3.4Å; G124-Y303 VanDerWaalsContact CA-CG 3.43Å
125F97.4Very high96.1Very high0 Ų043.6 Ų43.60%023%0.225CC..Hα-helixtrans-65.8-35.1-174.1179.7-125.6000113.5V83 D84 L90 T120 E128 C129 W139 C142 F146V83-F125 HydrophobicContact CB-CB 4.11Å; V83-F125 HydrophobicContact CB-CD1 4.21Å; V83-F125 HydrophobicContact CB-CD2 4.15Å; V83-F125 HydrophobicContact CB-CG 3.9Å; V83-F125 HydrophobicContact CG1-CD1 4.22Å; V83-F125 HydrophobicContact CG1-CD2 4.09Å; V83-F125 HydrophobicContact CG1-CE1 4.22Å; V83-F125 HydrophobicContact CG1-CE2 4.06Å; V83-F125 HydrophobicContact CG1-CG 4.14Å; V83-F125 HydrophobicContact CG1-CZ 4.12Å; V83-F125 HydrophobicContact CG2-CB 4.32Å; V83-F125 HydrophobicContact CG2-CD1 4.19Å; V83-F125 HydrophobicContact CG2-CG 4.25Å; D84-F125 WeakPolarHBondContact OD1-CB 3.17Å; D84-F125 PolarHBondContact OD1-N 3.23Å; L90-F125 HydrophobicContact CB-CE2 4.22Å; L90-F125 HydrophobicContact CD1-CE2 4.49Å; T120-F125 HydrophobicContact CG2-CB 3.89Å; T120-F125 HydrophobicContact CG2-CD1 3.73Å; T120-F125 HydrophobicContact CG2-CG 4.26Å; T120-F125 PolarHBondContact O-N 3.12Å; F125-E128 PolarHBondContact O-N 3.41Å; F125-C129 WeakPolarHBondContact CE2-SG 3.47Å; F125-C129 PolarHBondContact O-N 3.26Å; F125-C129 PolarHBondContact O-SG 3.43Å; F125-W139 AromaticContact CD1-CD1 3.8Å; F125-C142 HydrophobicContact CE1-CB 3.8Å; F125-C142 HydrophobicContact CZ-CB 3.79Å; F125-F146 HydrophobicContact CD1-CE2 4.25Å; F125-F146 HydrophobicContact CD1-CZ 4.1Å; F125-F146 AromaticContact CE1-CE2 3.99Å; F125-F146 HydrophobicContact CE1-CE2 3.99Å; F125-F146 AromaticContact CE1-CZ 3.59Å; F125-F146 HydrophobicContact CE1-CZ 3.59Å; F125-F146 HydrophobicContact CZ-CZ 4.38Å
126Y97.2Very high96Very high66 Ų6644 Ų4426%0.25923%0.229SC..Hα-helixtrans-59.3-50.1173.1178.3-91000111.5T120 Q121 G124 E128 C129 Q130 A136 W139T120-Y126 VanDerWaalsContact O-CB 3.32Å; T120-Y126 WeakPolarHBondContact O-CB 3.44Å; T120-Y126 PolarHBondContact O-N 3.34Å; Q121-Y126 HydrophobicContact CG-CD2 4.21Å; Q121-Y126 HydrophobicContact CG-CG 4.29Å; G124-Y126 VanDerWaalsContact C-N 3.34Å; G124-Y126 PolarHBondContact O-N 2.83Å; Y126-E128 VanDerWaalsContact C-N 3.35Å; Y126-E128 PolarHBondContact O-N 3.02Å; Y126-C129 PolarHBondContact O-N 3.49Å; Y126-Q130 WeakPolarHBondContact O-CB 3.04Å; Y126-Q130 PolarHBondContact O-N 3.12Å; Y126-A136 HydrophobicContact CE2-CB 3.96Å; Y126-W139 HydrophobicContact CD2-CB 4.46Å; Y126-W139 AromaticContact CD2-CD2 3.53Å; Y126-W139 HydrophobicContact CD2-CD2 3.53Å; Y126-W139 AromaticContact CD2-CE2 3.74Å; Y126-W139 AromaticContact CD2-CE3 3.79Å; Y126-W139 HydrophobicContact CD2-CE3 3.79Å; Y126-W139 AromaticContact CD2-CG 3.83Å; Y126-W139 HydrophobicContact CD2-CG 3.83Å; Y126-W139 HydrophobicContact CD2-CH2 4.42Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.24Å; Y126-W139 HydrophobicContact CE2-CD2 4.11Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.17Å
127D94.9Very high96Very high58 Ų5846 Ų4631%0.3124%0.239SC..Hα-helixtrans-65.9-38-179.2-69.8-23.1000111.9G124 Q130 T131 Y303G124-D127 PolarHBondContact O-N 3.15Å; D127-Q130 PolarHBondContact O-N 3.45Å; D127-T131 VanDerWaalsContact O-CB 3.29Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.46Å; D127-T131 PolarHBondContact O-OG1 3.19Å; D127-Y303 HydrophobicContact CB-CD1 4.16Å
128E95.5Very high96Very high5 Ų542.8 Ų42.82%0.02323%0.227CC..Hα-helixtrans-58.7-48.9174.6-172.2-172.9155.200111S89 L90 G124 F125 Y126 T131 K132S89-E128 WeakPolarHBondContact CA-OE2 3.49Å; S89-E128 WeakPolarHBondContact CB-OE2 3.38Å; S89-E128 PolarHBondContact N-OE1 2.84Å; S89-E128 PolarHBondContact N-OE2 2.62Å; S89-E128 PolarHBondContact OG-OE2 3.18Å; L90-E128 VanDerWaalsContact CB-OE1 3.28Å; L90-E128 WeakPolarHBondContact CB-OE1 3.49Å; L90-E128 PolarHBondContact N-OE1 3.33Å; G124-E128 WeakPolarHBondContact O-CB 3.39Å; G124-E128 PolarHBondContact O-N 3.4Å; F125-E128 PolarHBondContact O-N 3.41Å; Y126-E128 VanDerWaalsContact C-N 3.35Å; Y126-E128 PolarHBondContact O-N 3.02Å; E128-T131 PolarHBondContact O-N 3.47Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CB 3.5Å; E128-K132 WeakPolarHBondContact O-CG 3.12Å; E128-K132 PolarHBondContact O-N 3.5Å; E128-K132 IonicContact OE1-NZ 2.8Å; E128-K132 PolarHBondContact OE1-NZ 3.24Å
129C96.8Very high96.1Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-62.9-47.3177.7-71.40000111.9F125 Y126 T131 K132 Y133 A138 W139F125-C129 WeakPolarHBondContact CE2-SG 3.47Å; F125-C129 PolarHBondContact O-N 3.26Å; F125-C129 PolarHBondContact O-SG 3.43Å; Y126-C129 PolarHBondContact O-N 3.49Å; C129-T131 VanDerWaalsContact C-N 3.26Å; C129-T131 PolarHBondContact O-N 3.17Å; C129-K132 PolarHBondContact O-N 3.19Å; C129-Y133 PolarHBondContact O-N 3.36Å; C129-A138 HydrophobicContact CB-CB 4.28Å; C129-W139 HydrophobicContact CB-CB 3.8Å
130Q95.6Very high96.2Very high70 Ų7045.5 Ų45.533%0.32723%0.232SC..Hα-helixtrans-59.1-39.4178.7-179.664.832.200111.4Y126 D127 G134 N135Y126-Q130 WeakPolarHBondContact O-CB 3.04Å; Y126-Q130 PolarHBondContact O-N 3.12Å; D127-Q130 PolarHBondContact O-N 3.45Å; Q130-G134 PolarHBondContact NE2-O 3.25Å; Q130-G134 CarbonylContact O-C 3.55Å; Q130-G134 WeakPolarHBondContact O-CA 3.33Å; Q130-G134 PolarHBondContact O-N 3.36Å; Q130-N135 PolarHBondContact O-N 2.73Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å
131T93.9Very high96.2Very high75 Ų7547.6 Ų47.646%0.4624%0.24SC..Hα-helixtrans-72.3-42.3-179.9-58.80000112.2D127 E128 C129 T300D127-T131 VanDerWaalsContact O-CB 3.29Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.46Å; D127-T131 PolarHBondContact O-OG1 3.19Å; E128-T131 PolarHBondContact O-N 3.47Å; C129-T131 VanDerWaalsContact C-N 3.26Å; C129-T131 PolarHBondContact O-N 3.17Å; T131-T300 HydrophobicContact CG2-CG2 3.87Å
132K94.3Very high96.4Very high38 Ų3842.7 Ų42.717%0.16522%0.217CC..Hα-helixtrans-76.1-34.5-176.1-71.5178.3-178.6174.50113.8Y18 L90 E91 E128 C129Y18-K132 HydrophobicContact CD1-CB 4.49Å; Y18-K132 HydrophobicContact CD1-CD 4Å; Y18-K132 HydrophobicContact CD1-CG 4.47Å; Y18-K132 HydrophobicContact CE1-CB 4.11Å; Y18-K132 HydrophobicContact CE1-CD 4.13Å; Y18-K132 HydrophobicContact CE1-CG 4.12Å; Y18-K132 HydrophobicContact CE2-CB 4.35Å; Y18-K132 PolarHBondContact OH-O 3.12Å; Y18-K132 VanDerWaalsContact OH-O 3.12Å; L90-K132 HydrophobicContact CB-CD 4.47Å; L90-K132 HydrophobicContact CD2-CB 4.24Å; L90-K132 HydrophobicContact CD2-CD 3.63Å; E91-K132 WeakPolarHBondContact OE1-CE 3.18Å; E91-K132 IonicContact OE1-NZ 2.62Å; E91-K132 PolarHBondContact OE1-NZ 3.43Å; E91-K132 IonicContact OE2-NZ 3.64Å; E91-K132 PolarHBondContact OE2-NZ 2.76Å; E128-K132 HydrophobicContact CG-CD 4.07Å; E128-K132 WeakPolarHBondContact O-CB 3.5Å; E128-K132 WeakPolarHBondContact O-CG 3.12Å; E128-K132 PolarHBondContact O-N 3.5Å; E128-K132 IonicContact OE1-NZ 2.8Å; E128-K132 PolarHBondContact OE1-NZ 3.24Å; C129-K132 PolarHBondContact O-N 3.19Å
133Y96.5Very high96.6Very high33 Ų3338.2 Ų38.213%0.12919%0.19CC..Hα-helixtrans-105.2-8.5-179.3-70.4-81.5000114.2Y18 L19 E21 L24 L90 C129 N135 A138Y18-Y133 AromaticContact CD2-CE1 3.92Å; Y18-Y133 HydrophobicContact CD2-CE1 3.92Å; Y18-Y133 HydrophobicContact CD2-CE2 4.17Å; Y18-Y133 AromaticContact CD2-CZ 3.62Å; Y18-Y133 HydrophobicContact CE2-CE1 4.22Å; L19-Y133 VanDerWaalsContact O-CE1 3.3Å; L19-Y133 WeakPolarHBondContact O-CE1 3.37Å; L19-Y133 PolarHBondContact O-OH 3.31Å; E21-Y133 HydrophobicContact CB-CD1 3.82Å; E21-Y133 HydrophobicContact CB-CE1 3.9Å; E21-Y133 HydrophobicContact CG-CD1 4.27Å; L24-Y133 HydrophobicContact CD2-CE2 4.02Å; L90-Y133 HydrophobicContact CD1-CE2 4.06Å; L90-Y133 HydrophobicContact CD2-CD2 4.18Å; L90-Y133 HydrophobicContact CD2-CE2 3.39Å; L90-Y133 HydrophobicContact CG-CE2 4.33Å; C129-Y133 PolarHBondContact O-N 3.36Å; Y133-N135 PolarHBondContact O-N 3.12Å; Y133-N135 PolarHBondContact O-ND2 3.08Å; Y133-N135 VanDerWaalsContact O-ND2 3.13Å; Y133-A138 HydrophobicContact CD2-CB 3.25Å; Y133-A138 HydrophobicContact CE2-CB 3.35Å; Y133-A138 HydrophobicContact CG-CB 3.94Å
134G96.8Very high96.9Very high57 Ų5738.9 Ų38.959%0.58820%0.195SC*.SBendtrans72.64.7-174.800000114.1Q130Q130-G134 PolarHBondContact NE2-O 3.25Å; Q130-G134 CarbonylContact O-C 3.55Å; Q130-G134 WeakPolarHBondContact O-CA 3.33Å; Q130-G134 PolarHBondContact O-N 3.36Å
135N97.1Very high97.2Very high43 Ų4338.9 Ų38.923%0.2319%0.194CC..SBendtrans-159.1168.1-178.473.976.3000111.6E21 Q130 Y133 N137E21-N135 PolarHBondContact OE2-ND2 3.17Å; Q130-N135 PolarHBondContact O-N 2.73Å; Q130-N135 VanDerWaalsContact OE1-CA 3.25Å; Y133-N135 PolarHBondContact O-N 3.12Å; Y133-N135 PolarHBondContact O-ND2 3.08Å; Y133-N135 VanDerWaalsContact O-ND2 3.13Å; N135-N137 PolarHBondContact O-N 3.01Å; N135-N137 WeakPolarHBondContact OD1-CB 3.37Å; N135-N137 PolarHBondContact OD1-N 3.28Å; N135-N137 PolarHBondContact OD1-ND2 2.91Å
136A96.9Very high97.2Very high10 Ų1038.9 Ų38.98%0.08319%0.194CC..SBendtrans-88.15.3-174.200000114.9Y126 A138 W139 R140Y126-A136 HydrophobicContact CE2-CB 3.96Å; A136-A138 PolarHBondContact O-N 3.18Å; A136-W139 PolarHBondContact O-N 2.74Å; A136-R140 WeakPolarHBondContact O-CG 3.1Å; A136-R140 PolarHBondContact O-N 3.36Å
137N98.4Very high97.3Very high45 Ų4536.4 Ų36.424%0.24119%0.186CC..Hα-helixtrans-64.2-42.7-175.3-69.3-22.1000112.2E21 N135 W139 R140 Y141E21-N137 WeakPolarHBondContact OE1-CB 3.31Å; E21-N137 PolarHBondContact OE1-ND2 3.02Å; N135-N137 PolarHBondContact O-N 3.01Å; N135-N137 WeakPolarHBondContact OD1-CB 3.37Å; N135-N137 PolarHBondContact OD1-N 3.28Å; N135-N137 PolarHBondContact OD1-ND2 2.91Å; N137-W139 VanDerWaalsContact C-N 3.3Å; N137-W139 PolarHBondContact O-N 3.24Å; N137-R140 WeakPolarHBondContact O-CA 3.05Å; N137-R140 WeakPolarHBondContact O-CB 3.36Å; N137-R140 PolarHBondContact O-N 3.13Å; N137-R140 PolarHBondContact OD1-NH1 2.99Å; N137-Y141 HydrophobicContact CB-CE1 4.46Å; N137-Y141 HydrophobicContact CB-CE2 3.8Å; N137-Y141 VanDerWaalsContact O-CD2 3.25Å; N137-Y141 WeakPolarHBondContact O-CD2 3.44Å; N137-Y141 PolarHBondContact O-N 3.44Å
138A98.3Very high97.5Very high0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-56.6-44176.900000112.2L24 C129 Y133 A136 Y141 C142L24-A138 HydrophobicContact CD2-CB 3.63Å; C129-A138 HydrophobicContact CB-CB 4.28Å; Y133-A138 HydrophobicContact CD2-CB 3.25Å; Y133-A138 HydrophobicContact CE2-CB 3.35Å; Y133-A138 HydrophobicContact CG-CB 3.94Å; A136-A138 PolarHBondContact O-N 3.18Å; A138-Y141 PolarHBondContact O-N 3.08Å; A138-C142 PolarHBondContact O-N 3.12Å; A138-C142 PolarHBondContact O-SG 3.32Å
139W98.7Very high97.6Very high24 Ų2434.1 Ų34.19%0.09117%0.173CC..Hα-helixtrans-62.6-41.9174.3173.481.4000112R117 T120 Q121 F125 Y126 C129 A136 N137 Y141 C142 T143R117-W139 HydrophobicContact CB-CH2 4.22Å; R117-W139 HydrophobicContact CB-CZ2 3.84Å; R117-W139 HydrophobicContact CG-CH2 4.14Å; R117-W139 HydrophobicContact CG-CZ2 3.91Å; T120-W139 PolarHBondContact OG1-NE1 3.34Å; Q121-W139 HydrophobicContact CG-CH2 4.39Å; Q121-W139 HydrophobicContact CG-CZ2 3.89Å; F125-W139 AromaticContact CD1-CD1 3.8Å; Y126-W139 HydrophobicContact CD2-CB 4.46Å; Y126-W139 AromaticContact CD2-CD2 3.53Å; Y126-W139 HydrophobicContact CD2-CD2 3.53Å; Y126-W139 AromaticContact CD2-CE2 3.74Å; Y126-W139 AromaticContact CD2-CE3 3.79Å; Y126-W139 HydrophobicContact CD2-CE3 3.79Å; Y126-W139 AromaticContact CD2-CG 3.83Å; Y126-W139 HydrophobicContact CD2-CG 3.83Å; Y126-W139 HydrophobicContact CD2-CH2 4.42Å; Y126-W139 HydrophobicContact CD2-CZ2 4.19Å; Y126-W139 HydrophobicContact CD2-CZ3 4.24Å; Y126-W139 HydrophobicContact CE2-CD2 4.11Å; Y126-W139 AromaticContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CE3 3.88Å; Y126-W139 HydrophobicContact CE2-CZ3 4.17Å; C129-W139 HydrophobicContact CB-CB 3.8Å; A136-W139 PolarHBondContact O-N 2.74Å; N137-W139 VanDerWaalsContact C-N 3.3Å; N137-W139 PolarHBondContact O-N 3.24Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 3.07Å; W139-C142 PolarHBondContact O-N 3.03Å; W139-T143 HydrophobicContact CD2-CG2 4.13Å; W139-T143 HydrophobicContact CG-CG2 4.36Å; W139-T143 HydrophobicContact CZ2-CG2 4.06Å; W139-T143 WeakPolarHBondContact O-CB 3.47Å; W139-T143 WeakPolarHBondContact O-CG2 3.34Å; W139-T143 PolarHBondContact O-N 2.74Å; W139-T143 PolarHBondContact O-OG1 3.06Å
140R98.7Very high97.7Very high142 Ų14234.1 Ų34.154%0.53617%0.173SC..Hα-helixtrans-62.2-39.4175.2-69173.1-179.8156.4-3.1112.4A136 N137 T143 K144A136-R140 WeakPolarHBondContact O-CG 3.1Å; A136-R140 PolarHBondContact O-N 3.36Å; N137-R140 WeakPolarHBondContact O-CA 3.05Å; N137-R140 WeakPolarHBondContact O-CB 3.36Å; N137-R140 PolarHBondContact O-N 3.13Å; N137-R140 PolarHBondContact OD1-NH1 2.99Å; R140-T143 WeakPolarHBondContact CA-OG1 3.32Å; R140-T143 PolarHBondContact O-OG1 3.37Å; R140-T143 VanDerWaalsContact O-OG1 3.13Å; R140-K144 PolarHBondContact O-N 2.64Å; R140-K144 VanDerWaalsContact O-N 3.16Å
141Y98.8Very high97.8Very high45 Ų4530.8 Ų30.818%0.17616%0.158CC..Hα-helixtrans-67.8-43.8177.3-54.9-31.2000111.3E21 K25 N137 A138 W139 K144 V145E21-Y141 HydrophobicContact CG-CE2 4.08Å; K25-Y141 HydrophobicContact CB-CD2 3.74Å; K25-Y141 HydrophobicContact CB-CE2 3.61Å; K25-Y141 HydrophobicContact CB-CG 4.28Å; K25-Y141 HydrophobicContact CD-CE1 4Å; K25-Y141 HydrophobicContact CD-CE2 4.2Å; K25-Y141 HydrophobicContact CG-CD1 4.08Å; K25-Y141 HydrophobicContact CG-CD2 4.07Å; K25-Y141 HydrophobicContact CG-CE1 3.89Å; K25-Y141 HydrophobicContact CG-CE2 3.86Å; K25-Y141 HydrophobicContact CG-CG 4.18Å; N137-Y141 HydrophobicContact CB-CE1 4.46Å; N137-Y141 HydrophobicContact CB-CE2 3.8Å; N137-Y141 VanDerWaalsContact O-CD2 3.25Å; N137-Y141 WeakPolarHBondContact O-CD2 3.44Å; N137-Y141 PolarHBondContact O-N 3.44Å; A138-Y141 PolarHBondContact O-N 3.08Å; W139-Y141 VanDerWaalsContact C-N 3.34Å; W139-Y141 PolarHBondContact O-N 3.07Å; Y141-K144 PolarHBondContact O-N 3.07Å; Y141-V145 PolarHBondContact O-N 3.47Å
142C98.8Very high98.1Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-65.8-42.6177.7-62.90000112.2F93 F125 A138 W139 K144 V145 F146F93-C142 HydrophobicContact CD1-CB 4.06Å; F93-C142 HydrophobicContact CE1-CB 3.91Å; F125-C142 HydrophobicContact CE1-CB 3.8Å; F125-C142 HydrophobicContact CZ-CB 3.79Å; A138-C142 PolarHBondContact O-N 3.12Å; A138-C142 PolarHBondContact O-SG 3.32Å; W139-C142 PolarHBondContact O-N 3.03Å; C142-K144 VanDerWaalsContact C-N 3.28Å; C142-K144 PolarHBondContact O-N 3.09Å; C142-V145 WeakPolarHBondContact O-CA 3.13Å; C142-V145 WeakPolarHBondContact O-CB 3.24Å; C142-V145 PolarHBondContact O-N 3.38Å; C142-F146 HydrophobicContact CB-CE1 4.37Å; C142-F146 HydrophobicContact CB-CZ 4.21Å; C142-F146 VanDerWaalsContact O-CD1 3.25Å; C142-F146 WeakPolarHBondContact O-CD1 3.3Å; C142-F146 WeakPolarHBondContact O-CG 3.46Å; C142-F146 PolarHBondContact O-N 2.87Å
143T98.6Very high98.3Very high4 Ų425.4 Ų25.43%0.02513%0.128CC..Hα-helixtrans-66.8-27.5178.1510000113.6R117 W139 R140 V145 F146 D147R117-T143 HydrophobicContact CG-CG2 3.79Å; R117-T143 PolarHBondContact NH2-O 2.66Å; W139-T143 HydrophobicContact CD2-CG2 4.13Å; W139-T143 HydrophobicContact CG-CG2 4.36Å; W139-T143 HydrophobicContact CZ2-CG2 4.06Å; W139-T143 WeakPolarHBondContact O-CB 3.47Å; W139-T143 WeakPolarHBondContact O-CG2 3.34Å; W139-T143 PolarHBondContact O-N 2.74Å; W139-T143 PolarHBondContact O-OG1 3.06Å; R140-T143 WeakPolarHBondContact CA-OG1 3.32Å; R140-T143 PolarHBondContact O-OG1 3.37Å; R140-T143 VanDerWaalsContact O-OG1 3.13Å; T143-V145 VanDerWaalsContact C-N 3.33Å; T143-F146 HydrophobicContact CG2-CD2 3.7Å; T143-F146 HydrophobicContact CG2-CE2 3.77Å; T143-F146 WeakPolarHBondContact O-CB 3.24Å; T143-F146 PolarHBondContact O-N 3.25Å; T143-D147 PolarHBondContact O-N 3.22Å
144K98.5Very high98.4Very high101 Ų10124.5 Ų24.544%0.43913%0.125SC..Hα-helixtrans-65-37.2168-174.7-173.2168.7-165.60111.8D29 R140 Y141 C142D29-K144 IonicContact OD1-NZ 2.85Å; D29-K144 PolarHBondContact OD1-NZ 3.23Å; R140-K144 PolarHBondContact O-N 2.64Å; R140-K144 VanDerWaalsContact O-N 3.16Å; Y141-K144 PolarHBondContact O-N 3.07Å; C142-K144 VanDerWaalsContact C-N 3.28Å; C142-K144 PolarHBondContact O-N 3.09Å
145V98.9Very high98.5Very high0 Ų021.8 Ų21.80%010%0.097CC..Hα-helixtrans-68.2-39.6173.6-176.80000110.6C28 V31 L35 F93 L97 Y141 C142 T143 D147 M148 L149C28-V145 HydrophobicContact CB-CG2 3.56Å; V31-V145 HydrophobicContact CG1-CG1 4.15Å; L35-V145 HydrophobicContact CD1-CG1 3.79Å; F93-V145 HydrophobicContact CE1-CB 4.4Å; F93-V145 HydrophobicContact CZ-CB 4.24Å; F93-V145 HydrophobicContact CZ-CG1 3.95Å; L97-V145 HydrophobicContact CD1-CG2 4.48Å; L97-V145 HydrophobicContact CD2-CG1 3.8Å; Y141-V145 PolarHBondContact O-N 3.47Å; C142-V145 WeakPolarHBondContact O-CA 3.13Å; C142-V145 WeakPolarHBondContact O-CB 3.24Å; C142-V145 PolarHBondContact O-N 3.38Å; T143-V145 VanDerWaalsContact C-N 3.33Å; V145-D147 VanDerWaalsContact C-N 3.25Å; V145-D147 PolarHBondContact O-N 3.48Å; V145-M148 PolarHBondContact O-N 2.9Å; V145-L149 PolarHBondContact O-N 2.88Å
146F98.8Very high98.6Very high0 Ų022.2 Ų22.20%010%0.1CC..Hα-helixtrans-54.5-41.3178.7-62.7-15.5000112.9V83 F93 R111 E115 T120 F125 C142 T143 M148 L149V83-F146 HydrophobicContact CG1-CZ 4.12Å; V83-F146 HydrophobicContact CG2-CZ 4.13Å; F93-F146 AromaticContact CD1-CE1 3.82Å; F93-F146 HydrophobicContact CD1-CE1 3.82Å; F93-F146 HydrophobicContact CD1-CZ 4.46Å; F93-F146 HydrophobicContact CD2-CE1 4.39Å; F93-F146 AromaticContact CE1-CD1 3.86Å; F93-F146 HydrophobicContact CE1-CD1 3.86Å; F93-F146 AromaticContact CE1-CE1 3.29Å; F93-F146 HydrophobicContact CE1-CE1 3.29Å; F93-F146 HydrophobicContact CE1-CZ 4.24Å; F93-F146 HydrophobicContact CE2-CD1 4.34Å; F93-F146 AromaticContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CE2-CE1 3.95Å; F93-F146 HydrophobicContact CG-CE1 4.34Å; F93-F146 AromaticContact CZ-CD1 3.62Å; F93-F146 HydrophobicContact CZ-CD1 3.62Å; F93-F146 AromaticContact CZ-CE1 3.38Å; F93-F146 HydrophobicContact CZ-CE1 3.38Å; R111-F146 VanDerWaalsContact CD-O 3.31Å; R111-F146 WeakPolarHBondContact CD-O 3.25Å; R111-F146 PolarHBondContact NE-O 3.44Å; R111-F146 VanDerWaalsContact NE-O 3.13Å; R111-F146 PolarHBondContact NH1-O 2.84Å; E115-F146 HydrophobicContact CB-CB 3.93Å; E115-F146 HydrophobicContact CB-CD1 3.77Å; E115-F146 HydrophobicContact CB-CD2 3.96Å; E115-F146 HydrophobicContact CB-CE1 4.22Å; E115-F146 HydrophobicContact CB-CE2 4.44Å; E115-F146 HydrophobicContact CB-CG 3.63Å; E115-F146 HydrophobicContact CG-CD1 3.55Å; E115-F146 HydrophobicContact CG-CD2 4.38Å; E115-F146 HydrophobicContact CG-CE1 3.62Å; E115-F146 HydrophobicContact CG-CE2 4.48Å; E115-F146 HydrophobicContact CG-CG 3.97Å; E115-F146 HydrophobicContact CG-CZ 4.12Å; E115-F146 WeakPolarHBondContact O-CB 3.41Å; T120-F146 HydrophobicContact CG2-CE2 4.18Å; F125-F146 HydrophobicContact CD1-CE2 4.25Å; F125-F146 HydrophobicContact CD1-CZ 4.1Å; F125-F146 AromaticContact CE1-CE2 3.99Å; F125-F146 HydrophobicContact CE1-CE2 3.99Å; F125-F146 AromaticContact CE1-CZ 3.59Å; F125-F146 HydrophobicContact CE1-CZ 3.59Å; F125-F146 HydrophobicContact CZ-CZ 4.38Å; C142-F146 HydrophobicContact CB-CE1 4.37Å; C142-F146 HydrophobicContact CB-CZ 4.21Å; C142-F146 VanDerWaalsContact O-CD1 3.25Å; C142-F146 WeakPolarHBondContact O-CD1 3.3Å; C142-F146 WeakPolarHBondContact O-CG 3.46Å; C142-F146 PolarHBondContact O-N 2.87Å; T143-F146 HydrophobicContact CG2-CD2 3.7Å; T143-F146 HydrophobicContact CG2-CE2 3.77Å; T143-F146 WeakPolarHBondContact O-CB 3.24Å; T143-F146 PolarHBondContact O-N 3.25Å; F146-M148 PolarHBondContact O-N 3.37Å; F146-L149 HydrophobicContact CD1-CD1 4.12Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 2.92Å
147D98.7Very high98.6Very high14 Ų1429.3 Ų29.38%0.07513%0.131CC..Hα-helixtrans-62.3-25.4177.8-63.2-18.9000113R111 R117 T143 V145 R181 N182 Q183R111-D147 IonicContact CZ-OD1 3.12Å; R111-D147 IonicContact NH1-OD1 2.74Å; R111-D147 IonicContact NH2-OD1 3.6Å; R111-D147 PolarHBondContact NH2-OD1 2.8Å; R117-D147 IonicContact CZ-OD1 3.71Å; R117-D147 IonicContact CZ-OD2 2.66Å; R117-D147 VanDerWaalsContact CZ-OD2 3.27Å; R117-D147 VanDerWaalsContact NH1-CG 3.3Å; R117-D147 IonicContact NH1-OD1 2.92Å; R117-D147 PolarHBondContact NH1-OD1 2.87Å; R117-D147 IonicContact NH1-OD2 3.37Å; R117-D147 PolarHBondContact NH1-OD2 3.18Å; R117-D147 IonicContact NH2-OD1 2.65Å; R117-D147 IonicContact NH2-OD2 3.78Å; R117-D147 PolarHBondContact NH2-OD2 3.21Å; T143-D147 PolarHBondContact O-N 3.22Å; V145-D147 VanDerWaalsContact C-N 3.25Å; V145-D147 PolarHBondContact O-N 3.48Å; D147-R181 CarbonylContact O-C 3.57Å; D147-R181 VanDerWaalsContact O-C 3.32Å; D147-N182 WeakPolarHBondContact O-CA 3.15Å; D147-Q183 VanDerWaalsContact OD1-O 3.14Å
148M98.3Very high98.6Very high16 Ų1629.4 Ų29.48%0.07913%0.13CC..Hα-helixtrans-93.2-13.3-178.5-60.9-58.3-66.100113.4C32 L35 L36 V145 F146 T150 R181 N182C32-M148 HydrophobicContact CB-CG 4.42Å; L35-M148 HydrophobicContact CB-CB 3.77Å; L35-M148 HydrophobicContact CD1-CB 3.9Å; L36-M148 HydrophobicContact CB-CE 3.7Å; L36-M148 HydrophobicContact CD1-CE 3.53Å; L36-M148 HydrophobicContact CG-CE 4.22Å; V145-M148 PolarHBondContact O-N 2.9Å; F146-M148 PolarHBondContact O-N 3.37Å; M148-T150 PolarHBondContact O-N 3.02Å; M148-R181 PolarHBondContact O-NE 2.97Å; M148-N182 HydrophobicContact SD-CB 3.98Å; M148-N182 PolarHBondContact SD-OD1 2.87Å
149L98.8Very high98.7Very high0 Ų029.5 Ų29.50%013%0.131CC..SBendtrans-58.7137-179.2-72.3174.1000111.5L35 F82 L109 R111 E115 V145 F146 R181L35-L149 HydrophobicContact CD1-CD2 4.04Å; F82-L149 HydrophobicContact CE2-CD1 4.01Å; L109-L149 HydrophobicContact CB-CD2 3.66Å; L109-L149 HydrophobicContact CD1-CD2 4.44Å; R111-L149 HydrophobicContact CB-CB 3.7Å; R111-L149 HydrophobicContact CB-CD1 4.37Å; R111-L149 HydrophobicContact CG-CB 4.08Å; R111-L149 HydrophobicContact CG-CD1 4.22Å; E115-L149 HydrophobicContact CB-CD1 4.01Å; E115-L149 HydrophobicContact CG-CD1 3.74Å; V145-L149 PolarHBondContact O-N 2.88Å; F146-L149 HydrophobicContact CD1-CD1 4.12Å; F146-L149 WeakPolarHBondContact O-CB 3.47Å; F146-L149 PolarHBondContact O-N 2.92Å; L149-R181 WeakPolarHBondContact O-CD 3.05Å
150T98.1Very high98.7Very high0 Ų028.4 Ų28.40%013%0.127CC..BIsolated β-bridgetrans-63.2150.7-178.663.30000111.4E38 S39 Q42 L109 L110 R111 M148E38-T150 HydrophobicContact CB-CG2 3.69Å; E38-T150 VanDerWaalsContact OE2-CG2 3.31Å; E38-T150 WeakPolarHBondContact OE2-CG2 3.25Å; S39-T150 WeakPolarHBondContact O-CG2 3.48Å; Q42-T150 HydrophobicContact CB-CG2 4.34Å; L109-T150 PolarHBondContact O-N 3.16Å; L109-T150 PolarHBondContact O-OG1 2.96Å; L110-T150 CarbonylContact C-O 3.51Å; L110-T150 VanDerWaalsContact CA-O 3.26Å; L110-T150 WeakPolarHBondContact CA-O 3.38Å; L110-T150 WeakPolarHBondContact CD2-OG1 3.44Å; R111-T150 PolarHBondContact N-O 3.13Å; M148-T150 PolarHBondContact O-N 3.02Å
151V98.6Very high98.7Very high0 Ų021.7 Ų21.70%010%0.101CC..SBendtrans-84.7-37.5-175.3-177.40000111.1N40 I176 R181 F191 L194N40-V151 HydrophobicContact CB-CG2 4.41Å; N40-V151 PolarHBondContact O-N 3.22Å; V151-I176 HydrophobicContact CB-CG2 4.34Å; V151-I176 HydrophobicContact CG1-CG2 4.09Å; V151-R181 HydrophobicContact CG2-CB 3.95Å; V151-F191 HydrophobicContact CG1-CD2 4.31Å; V151-F191 HydrophobicContact CG1-CE2 4.33Å; V151-F191 HydrophobicContact CG2-CD2 4.32Å; V151-F191 HydrophobicContact CG2-CE2 3.88Å; V151-F191 HydrophobicContact CG2-CZ 4.37Å; V151-L194 HydrophobicContact CG1-CB 4.24Å; V151-L194 HydrophobicContact CG1-CD1 3.45Å; V151-L194 VanDerWaalsContact CG1-CD1 3.45Å
152A98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.093CC..EExtended strand (participates in β ladder)trans-148.4163.4-177.700000111.1N40 V41 Q42 L160 C161 I176N40-A152 PolarHBondContact O-N 3Å; N40-A152 VanDerWaalsContact O-O 3.14Å; V41-A152 CarbonylContact C-O 3.51Å; V41-A152 WeakPolarHBondContact CA-O 3.29Å; V41-A152 HydrophobicContact CG2-CB 4.4Å; Q42-A152 PolarHBondContact N-O 2.94Å; A152-L160 HydrophobicContact CB-CD1 3.85Å; A152-C161 CarbonylContact C-O 3.59Å; A152-C161 WeakPolarHBondContact CA-O 3.4Å; A152-C161 VanDerWaalsContact CB-O 3.31Å; A152-C161 WeakPolarHBondContact CB-O 3.09Å; A152-I176 HydrophobicContact CB-CG2 4.35Å
153A98.9Very high98.7Very high0 Ų019.6 Ų19.60%09%0.093CC..EExtended strand (participates in β ladder)trans-123.4153.6165.600000110.7Q42 V44 I77 T108 L110 C161Q42-A153 CarbonylContact O-C 3.54Å; Q42-A153 WeakPolarHBondContact O-CA 3.34Å; V44-A153 HydrophobicContact CG2-CB 4.14Å; I77-A153 HydrophobicContact CD1-CB 4.05Å; I77-A153 HydrophobicContact CG1-CB 4.42Å; I77-A153 HydrophobicContact CG2-CB 4.29Å; T108-A153 HydrophobicContact CG2-CB 4.22Å; L110-A153 HydrophobicContact CD2-CB 3.98Å; A153-C161 HydrophobicContact CB-CB 4.21Å; A153-C161 PolarHBondContact N-O 2.96Å; A153-C161 PolarHBondContact O-N 3.46Å
154L98.9Very high98.7Very high14 Ų1419.4 Ų19.47%0.0739%0.092CC..EExtended strand (participates in β ladder)trans-126.7107.3177.6-174.967.8000109.4V41 Q42 V44 E157 I159 L173 L230V41-L154 HydrophobicContact CG1-CB 3.78Å; Q42-L154 PolarHBondContact O-N 3.12Å; V44-L154 PolarHBondContact N-O 3.02Å; L154-E157 HydrophobicContact CD2-CB 4.41Å; L154-I159 WeakPolarHBondContact CA-O 3.3Å; L154-L173 HydrophobicContact CD1-CD1 4Å; L154-L173 HydrophobicContact CD2-CD1 3.94Å; L154-L230 HydrophobicContact CD1-CD2 3.68Å
155I98.8Very high98.7Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-84.1121.3-179.3-48.8166.7000108.9V44 T46 V48 V50 I77 E157 Q158 I159 F274V44-I155 CarbonylContact O-C 3.2Å; V44-I155 VanDerWaalsContact O-CA 3.25Å; V44-I155 WeakPolarHBondContact O-CA 3.33Å; T46-I155 HydrophobicContact CG2-CG2 3.57Å; V48-I155 HydrophobicContact CG1-CD1 3.75Å; V48-I155 HydrophobicContact CG1-CG1 4.13Å; V48-I155 HydrophobicContact CG1-CG2 3.83Å; V50-I155 HydrophobicContact CG2-CD1 3.76Å; I77-I155 HydrophobicContact CD1-CD1 3.74Å; I77-I155 HydrophobicContact CD1-CG1 3.57Å; I155-E157 PolarHBondContact O-N 2.87Å; I155-Q158 PolarHBondContact O-N 2.85Å; I155-I159 HydrophobicContact CB-CB 4.11Å; I155-I159 HydrophobicContact CD1-CB 4.4Å; I155-I159 HydrophobicContact CD1-CG2 4.22Å; I155-I159 PolarHBondContact N-O 2.99Å; I155-I159 PolarHBondContact O-N 3.34Å; I155-I159 VanDerWaalsContact O-N 3.12Å; I155-F274 HydrophobicContact CD1-CD2 4.04Å; I155-F274 HydrophobicContact CD1-CE2 4.3Å
156D98.6Very high98.7Very high52 Ų5214.7 Ų14.728%0.2787%0.072SC..THydrogen-bonded Turntrans44.837.9177.8-63.5-26000113.1V44 S45 T46 Q158 V277V44-D156 PolarHBondContact O-N 2.85Å; S45-D156 VanDerWaalsContact CA-OD1 3.29Å; S45-D156 WeakPolarHBondContact CA-OD1 3.35Å; T46-D156 VanDerWaalsContact CB-OD2 3.29Å; T46-D156 WeakPolarHBondContact CB-OD2 3.37Å; T46-D156 WeakPolarHBondContact CG2-OD2 3.45Å; T46-D156 PolarHBondContact N-OD1 3.49Å; T46-D156 PolarHBondContact N-OD2 3.38Å; T46-D156 PolarHBondContact OG1-OD2 3.38Å; D156-Q158 PolarHBondContact O-N 2.83Å; D156-V277 HydrophobicContact CB-CG1 3.36Å
157E98.3Very high98.7Very high158 Ų15814.8 Ų14.874%0.7387%0.072SC*.THydrogen-bonded Turntrans60.96.1-179.3-54.4-174.4139.300116.2L154 I155L154-E157 HydrophobicContact CD2-CB 4.41Å; I155-E157 PolarHBondContact O-N 2.87Å
158Q98.4Very high98.6Very high48 Ų4816.1 Ų16.122%0.2248%0.082CC..THydrogen-bonded Turntrans-126.7-13.4-171.7-66.8-161.9-18.500115.3I155 D156 L230 K231 V277I155-Q158 PolarHBondContact O-N 2.85Å; D156-Q158 PolarHBondContact O-N 2.83Å; Q158-L230 CarbonylContact O-C 3.59Å; Q158-L230 WeakPolarHBondContact O-CA 3.5Å; Q158-K231 HydrophobicContact CB-CD 4.48Å; Q158-K231 HydrophobicContact CB-CG 4.42Å; Q158-K231 PolarHBondContact O-N 3.44Å; Q158-K231 VanDerWaalsContact OE1-CD 3.23Å; Q158-V277 HydrophobicContact CB-CB 4.42Å; Q158-V277 HydrophobicContact CB-CG1 4.02Å; Q158-V277 HydrophobicContact CG-CG1 4.49Å
159I98.9Very high98.6Very high2 Ų219.9 Ų19.91%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-125.9112.5179.9-53172.5000109.5L154 I155 L232 C234 F274L154-I159 WeakPolarHBondContact CA-O 3.3Å; I155-I159 HydrophobicContact CB-CB 4.11Å; I155-I159 HydrophobicContact CD1-CB 4.4Å; I155-I159 HydrophobicContact CD1-CG2 4.22Å; I155-I159 PolarHBondContact N-O 2.99Å; I155-I159 PolarHBondContact O-N 3.34Å; I155-I159 VanDerWaalsContact O-N 3.12Å; I159-L232 WeakPolarHBondContact CA-O 3.11Å; I159-L232 HydrophobicContact CG1-CB 4.27Å; I159-L232 HydrophobicContact CG2-CB 4.07Å; I159-L232 HydrophobicContact CG2-CD2 4Å; I159-L232 HydrophobicContact CG2-CG 4.2Å; I159-C234 HydrophobicContact CG2-CB 4.36Å; I159-F274 HydrophobicContact CD1-CD1 3.51Å; I159-F274 HydrophobicContact CD1-CE1 3.47Å; I159-F274 VanDerWaalsContact CD1-CE1 3.47Å; I159-F274 HydrophobicContact CD1-CG 4.31Å; I159-F274 HydrophobicContact CD1-CZ 4.23Å; I159-F274 HydrophobicContact CG2-CZ 4.34Å
160L98.9Very high98.6Very high1 Ų120.2 Ų20.21%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-82.9126.7175.4175.663.6000109.5A152 L173 F224 L230 L232 I233 C234A152-L160 HydrophobicContact CB-CD1 3.85Å; L160-L173 HydrophobicContact CD1-CD2 3.77Å; L160-L173 HydrophobicContact CD2-CD2 4.01Å; L160-L173 HydrophobicContact CG-CD2 4.36Å; L160-F224 HydrophobicContact CD2-CE1 3.66Å; L160-F224 HydrophobicContact CD2-CZ 4.11Å; L160-L230 HydrophobicContact CB-CD1 3.79Å; L160-L230 HydrophobicContact CB-CD2 4.49Å; L160-L230 HydrophobicContact CD2-CD1 4.4Å; L160-L232 PolarHBondContact N-O 3.42Å; L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.48Å; L160-I233 CarbonylContact O-C 3.56Å; L160-I233 WeakPolarHBondContact O-CA 2.71Å; L160-C234 PolarHBondContact O-N 3.32Å
161C98.9Very high98.6Very high0 Ų026.4 Ų26.40%013%0.131CC..EExtended strand (participates in β ladder)trans-107.7128.6169.1-590000109.7I77 M79 L110 A152 A153 C234I77-C161 HydrophobicContact CG2-CB 4.35Å; M79-C161 HydrophobicContact CG-CB 4.46Å; M79-C161 HydrophobicContact SD-CB 4.22Å; L110-C161 HydrophobicContact CD1-CB 4.07Å; L110-C161 WeakPolarHBondContact CD1-O 3.39Å; A152-C161 CarbonylContact C-O 3.59Å; A152-C161 WeakPolarHBondContact CA-O 3.4Å; A152-C161 VanDerWaalsContact CB-O 3.31Å; A152-C161 WeakPolarHBondContact CB-O 3.09Å; A153-C161 HydrophobicContact CB-CB 4.21Å; A153-C161 PolarHBondContact N-O 2.96Å; A153-C161 PolarHBondContact O-N 3.46Å; C161-C234 VanDerWaalsContact CA-O 3.28Å; C161-C234 WeakPolarHBondContact CA-O 3.05Å
162V98.8Very high98.6Very high1 Ų128.5 Ų28.51%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-147.2151.5177.870.20000109.4L194 I233 C234 R235V162-L194 HydrophobicContact CG2-CB 4.06Å; V162-L194 HydrophobicContact CG2-CD2 4.21Å; V162-L194 VanDerWaalsContact CG2-O 3.25Å; V162-L194 WeakPolarHBondContact CG2-O 3.46Å; V162-I233 HydrophobicContact CG1-CG2 4.45Å; V162-C234 PolarHBondContact N-O 3.39Å; V162-R235 HydrophobicContact CG1-CB 4.36Å; V162-R235 WeakPolarHBondContact O-CA 3.44Å; V162-R235 WeakPolarHBondContact O-CB 3.35Å
163H98.9Very high98.5Very high0 Ų029 Ų290%015%0.146CC..SBendtrans-63.9-62.5179.1-173.655.3000112.7D53 M79 D81 G112 N113 V195 R235 A236 H237D53-H163 IonicContact OD1-CE1 2.77Å; D53-H163 IonicContact OD2-CE1 3.27Å; M79-H163 WeakPolarHBondContact O-CA 3.35Å; M79-H163 WeakPolarHBondContact O-CB 3.33Å; M79-H163 PolarHBondContact O-ND1 2.79Å; D81-H163 IonicContact OD1-CD2 3.74Å; D81-H163 IonicContact OD1-CE1 3.96Å; D81-H163 IonicContact OD1-NE2 2.77Å; D81-H163 PolarHBondContact OD1-NE2 3.45Å; D81-H163 VanDerWaalsContact OD1-NE2 3.13Å; D81-H163 IonicContact OD2-CE1 3.73Å; D81-H163 PolarHBondContact OD2-CE1 3.49Å; D81-H163 IonicContact OD2-NE2 2.92Å; D81-H163 PolarHBondContact OD2-NE2 3.31Å; G112-H163 WeakPolarHBondContact CA-CD2 3.31Å; G112-H163 VanDerWaalsContact CA-CG 3.49Å; N113-H163 PolarHBondContact N-CD2 2.87Å; N113-H163 VanDerWaalsContact N-CD2 3.31Å; N113-H163 PolarHBondContact OD1-CD2 2.9Å; N113-H163 PolarHBondContact OD1-NE2 3.31Å; H163-V195 PolarHBondContact CD2-O 3.41Å; H163-R235 PolarHBondContact O-NH2 3.47Å; H163-A236 CarbonylContact O-C 3.48Å; H163-A236 PolarHBondContact O-N 3.25Å; H163-H237 AromaticContact NE2-CG 3.92Å; H163-H237 AromaticContact NE2-ND1 3.52Å
164G98.8Very high98.5Very high0 Ų033.9 Ų33.90%017%0.172CC..SBendtrans-79.3-103.6-177.300000111.2L194 S197 R235G164-L194 CarbonylContact C-O 3.54Å; G164-L194 WeakPolarHBondContact CA-O 3.41Å; G164-L194 PolarHBondContact N-O 3.35Å; G164-S197 CarbonylContact C-O 3.53Å; G164-R235 WeakPolarHBondContact O-CB 3.28Å; G164-R235 VanDerWaalsContact O-CD 3.3Å; G164-R235 WeakPolarHBondContact O-CD 3.46Å; G164-R235 PolarHBondContact O-NE 2.88Å; G164-R235 PolarHBondContact O-NH2 2.92Å
165G98Very high98.5Very high0 Ų036.7 Ų36.70%019%0.185CC..  trans-167.6-144.5-177.800000112L194 S197G165-L194 PolarHBondContact N-O 3.36Å; G165-L194 WeakPolarHBondContact O-CA 3.26Å; G165-L194 WeakPolarHBondContact O-CD2 3.39Å; G165-S197 PolarHBondContact N-O 2.66Å
166L98.7Very high98.5Very high3 Ų336.8 Ų36.82%0.01619%0.185CC..  trans-86161.7-175.5-58.7179.8000111.7S197 W205 F216 V220 F224 I233L166-S197 WeakPolarHBondContact O-CB 3.18Å; L166-S197 PolarHBondContact O-OG 3.45Å; L166-W205 HydrophobicContact CB-CH2 3.73Å; L166-W205 HydrophobicContact CB-CZ3 4.38Å; L166-F216 HydrophobicContact CB-CD2 4.37Å; L166-F216 HydrophobicContact CB-CG 4.37Å; L166-F216 HydrophobicContact CD1-CD2 4.08Å; L166-F216 HydrophobicContact CD1-CE2 4.11Å; L166-F216 HydrophobicContact CG-CD2 4.29Å; L166-F216 HydrophobicContact CG-CE2 4.09Å; L166-F216 HydrophobicContact CG-CZ 4.4Å; L166-V220 HydrophobicContact CB-CG1 4.46Å; L166-V220 HydrophobicContact CD1-CG1 3.9Å; L166-F224 HydrophobicContact CD1-CB 3.83Å; L166-F224 HydrophobicContact CD1-CG 4.05Å; L166-F224 HydrophobicContact CD2-CD1 3.85Å; L166-F224 HydrophobicContact CD2-CD2 4.02Å; L166-F224 HydrophobicContact CD2-CE1 4Å; L166-F224 HydrophobicContact CD2-CE2 4.15Å; L166-F224 HydrophobicContact CD2-CG 3.86Å; L166-F224 HydrophobicContact CD2-CZ 4.15Å; L166-I233 HydrophobicContact CD1-CD1 3.99Å; L166-I233 HydrophobicContact CD2-CD1 3.96Å; L166-I233 HydrophobicContact CG-CD1 4.3Å
167S98.6Very high98.5Very high1 Ų139 Ų391%0.00719%0.19CC..  trans-122.1141.4173.6176.80000110.5D169 I170 D193S167-D169 PolarHBondContact O-N 2.86Å; S167-D169 PolarHBondContact OG-N 2.87Å; S167-D169 VanDerWaalsContact OG-N 3.16Å; S167-I170 PolarHBondContact O-N 3.13Å; S167-I170 VanDerWaalsContact O-N 3.15Å; S167-I170 VanDerWaalsContact O-O 3.1Å; S167-D193 VanDerWaalsContact CB-CB 3.5Å; S167-D193 WeakPolarHBondContact CB-OD2 3.44Å; S167-D193 PolarHBondContact OG-OD2 3.49Å
168P98.2Very high98.4Very high43 Ų4337.1 Ų37.128%0.27919%0.189SC..THydrogen-bonded Turntrans-63-20.4171.426.8-34.8000113.1I170 W205 W214P168-I170 VanDerWaalsContact C-N 3.34Å; P168-W205 VanDerWaalsContact CA-CZ2 3.48Å; P168-W205 HydrophobicContact CB-CD2 4.19Å; P168-W205 HydrophobicContact CB-CH2 4.5Å; P168-W205 HydrophobicContact CB-CZ2 4.04Å; P168-W205 VanDerWaalsContact N-CH2 3.28Å; P168-W214 VanDerWaalsContact CD-CD1 3.46Å; P168-W214 HydrophobicContact CG-CD2 4.17Å; P168-W214 HydrophobicContact CG-CG 4.27Å; P168-W214 HydrophobicContact CG-CZ2 4.19Å
169D97.7Very high98.4Very high95 Ų9535.9 Ų35.951%0.50818%0.184SC..THydrogen-bonded Turntrans-84.3-10.1178.6-64.4-25.6000112.7S167 Q175 A190S167-D169 PolarHBondContact O-N 2.86Å; S167-D169 PolarHBondContact OG-N 2.87Å; S167-D169 VanDerWaalsContact OG-N 3.16Å; D169-Q175 PolarHBondContact O-NE2 3.35Å; D169-Q175 VanDerWaalsContact O-NE2 3.08Å; D169-A190 HydrophobicContact CB-CB 4.26Å
170I98.3Very high98.4Very high7 Ų741.5 Ų41.54%0.03621%0.21CC..  trans-120.4111.9-175.3-59169.8000109.8S167 P168 T172 Q175 I176 I179 A190 L194 F224S167-I170 PolarHBondContact O-N 3.13Å; S167-I170 VanDerWaalsContact O-N 3.15Å; S167-I170 VanDerWaalsContact O-O 3.1Å; P168-I170 VanDerWaalsContact C-N 3.34Å; I170-T172 WeakPolarHBondContact CG2-O 3.39Å; I170-Q175 HydrophobicContact CG2-CB 4.18Å; I170-I176 HydrophobicContact CD1-CG1 4.14Å; I170-I176 HydrophobicContact CG2-CD1 4.22Å; I170-I176 HydrophobicContact CG2-CG1 3.62Å; I170-I179 HydrophobicContact CD1-CD1 4.29Å; I170-A190 HydrophobicContact CD1-CB 3.73Å; I170-A190 HydrophobicContact CG1-CB 3.87Å; I170-L194 HydrophobicContact CD1-CD1 3.56Å; I170-L194 HydrophobicContact CD1-CD2 3.75Å; I170-L194 HydrophobicContact CD1-CG 3.63Å; I170-F224 HydrophobicContact CG2-CE2 4.05Å
171K97.9Very high98.3Very high129 Ų12942.3 Ų42.356%0.56121%0.213SC*.  trans-102.3-28.7172.8-59.1-171.6179.7-169.90112.5N228K171-N228 PolarHBondContact O-ND2 2.93Å
172T98.4Very high98.2Very high44 Ų4446.6 Ų46.627%0.2724%0.236SC..SBendtrans-125.6154-177.7710000113.3I170 D174 Q175 I227 N228I170-T172 WeakPolarHBondContact CG2-O 3.39Å; T172-D174 PolarHBondContact O-N 2.78Å; T172-Q175 WeakPolarHBondContact O-CB 3.31Å; T172-Q175 PolarHBondContact O-N 2.89Å; T172-Q175 VanDerWaalsContact O-N 3.12Å; T172-I227 HydrophobicContact CG2-CG2 4.02Å; T172-N228 WeakPolarHBondContact CA-OD1 3.4Å
173L98.5Very high98.2Very high12 Ų1250.4 Ų50.46%0.06325%0.254CS..Hα-helixtrans-57.8-32.1173.2-65.7175.2000112.5L154 L160 Q175 I176 R177 F224 N228 L230L154-L173 HydrophobicContact CD1-CD1 4Å; L154-L173 HydrophobicContact CD2-CD1 3.94Å; L160-L173 HydrophobicContact CD1-CD2 3.77Å; L160-L173 HydrophobicContact CD2-CD2 4.01Å; L160-L173 HydrophobicContact CG-CD2 4.36Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 2.84Å; L173-I176 HydrophobicContact CD2-CD1 4.14Å; L173-I176 WeakPolarHBondContact O-CB 3.13Å; L173-I176 PolarHBondContact O-N 3.43Å; L173-I176 VanDerWaalsContact O-N 3.12Å; L173-R177 PolarHBondContact O-N 3.2Å; L173-F224 HydrophobicContact CD2-CE1 4.39Å; L173-F224 HydrophobicContact CD2-CZ 4.29Å; L173-N228 HydrophobicContact CD1-CB 4.28Å; L173-N228 HydrophobicContact CG-CB 4.13Å; L173-N228 PolarHBondContact N-OD1 3.33Å; L173-L230 HydrophobicContact CD1-CD2 4.27Å
174D98.1Very high98.1Very high101 Ų10152.3 Ų52.354%0.5426%0.263SS..Hα-helixtrans-61.6-34.6177-71.7-35.2000112.5T172 I176 R177 T178T172-D174 PolarHBondContact O-N 2.78Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 3.23Å; D174-R177 WeakPolarHBondContact O-CB 3.31Å; D174-R177 PolarHBondContact O-N 3.4Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 2.92Å; D174-R177 IonicContact OD1-NH1 2.58Å; D174-R177 PolarHBondContact OD1-NH1 2.66Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3Å
175Q98.6Very high98.1Very high74 Ų7452.9 Ų52.935%0.34627%0.266SS..Hα-helixtrans-66-35.6176.3-66.3176.7-78.200111.4D169 I170 T172 L173 R177 T178D169-Q175 PolarHBondContact O-NE2 3.35Å; D169-Q175 VanDerWaalsContact O-NE2 3.08Å; I170-Q175 HydrophobicContact CG2-CB 4.18Å; T172-Q175 WeakPolarHBondContact O-CB 3.31Å; T172-Q175 PolarHBondContact O-N 2.89Å; T172-Q175 VanDerWaalsContact O-N 3.12Å; L173-Q175 VanDerWaalsContact C-N 3.26Å; L173-Q175 PolarHBondContact O-N 2.84Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.06Å; Q175-T178 PolarHBondContact O-N 3.33Å; Q175-T178 PolarHBondContact O-OG1 3.31Å
176I98.6Very high98.1Very high1 Ų154.9 Ų54.91%0.00528%0.279CS..Hα-helixtrans-62.4-40.7172.6-51.8178.4000110.2V41 V151 A152 I170 L173 D174 T178 I179 L194V41-I176 HydrophobicContact CG2-CB 3.64Å; V41-I176 HydrophobicContact CG2-CG2 3.52Å; V151-I176 HydrophobicContact CB-CG2 4.34Å; V151-I176 HydrophobicContact CG1-CG2 4.09Å; A152-I176 HydrophobicContact CB-CG2 4.35Å; I170-I176 HydrophobicContact CD1-CG1 4.14Å; I170-I176 HydrophobicContact CG2-CD1 4.22Å; I170-I176 HydrophobicContact CG2-CG1 3.62Å; L173-I176 HydrophobicContact CD2-CD1 4.14Å; L173-I176 WeakPolarHBondContact O-CB 3.13Å; L173-I176 PolarHBondContact O-N 3.43Å; L173-I176 VanDerWaalsContact O-N 3.12Å; D174-I176 VanDerWaalsContact C-N 3.3Å; D174-I176 PolarHBondContact O-N 3.23Å; I176-T178 PolarHBondContact O-N 3Å; I176-I179 HydrophobicContact CG2-CD1 4.27Å; I176-I179 WeakPolarHBondContact O-CB 3.45Å; I176-I179 WeakPolarHBondContact O-CG1 3.3Å; I176-I179 PolarHBondContact O-N 3.14Å; I176-L194 HydrophobicContact CD1-CD2 4.27Å; I176-L194 HydrophobicContact CG1-CD1 4.21Å; I176-L194 HydrophobicContact CG2-CD1 3.87Å
177R98.3Very high97.9Very high98 Ų9861.1 Ų61.137%0.3731%0.308SS..Hα-helixtrans-59.4-29.8178.8-64.5176.3179.7115.62.4112.9N40 V41 L173 D174 Q175N40-R177 PolarHBondContact ND2-O 3.02Å; V41-R177 HydrophobicContact CB-CG 4.01Å; V41-R177 HydrophobicContact CG2-CG 3.69Å; L173-R177 PolarHBondContact O-N 3.2Å; D174-R177 WeakPolarHBondContact O-CB 3.31Å; D174-R177 PolarHBondContact O-N 3.4Å; D174-R177 VanDerWaalsContact O-N 3.12Å; D174-R177 IonicContact OD1-CZ 2.92Å; D174-R177 IonicContact OD1-NH1 2.58Å; D174-R177 PolarHBondContact OD1-NH1 2.66Å; Q175-R177 VanDerWaalsContact C-N 3.3Å; Q175-R177 PolarHBondContact O-N 3.06Å
178T97.8Very high97.7Very high119 Ų11969.6 Ų69.673%0.7334%0.344SS*.THydrogen-bonded Turntrans-84.6-2.8-178.763.70000115.7D174 Q175 I176 E180D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3Å; Q175-T178 PolarHBondContact O-N 3.33Å; Q175-T178 PolarHBondContact O-OG1 3.31Å; I176-T178 PolarHBondContact O-N 3Å; T178-E180 PolarHBondContact O-N 3.36Å
179I98.1Very high97.7Very high22 Ų2268.6 Ų68.611%0.11334%0.342CS..  trans-65.1129.1-179.8-67.6173.9000110.4N40 I170 I176 R181 A190 F191 L194N40-I179 PolarHBondContact ND2-O 3.49Å; I170-I179 HydrophobicContact CD1-CD1 4.29Å; I176-I179 HydrophobicContact CG2-CD1 4.27Å; I176-I179 WeakPolarHBondContact O-CB 3.45Å; I176-I179 WeakPolarHBondContact O-CG1 3.3Å; I176-I179 PolarHBondContact O-N 3.14Å; I179-R181 PolarHBondContact O-N 2.97Å; I179-A190 HydrophobicContact CD1-CB 4.47Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.86Å; I179-F191 HydrophobicContact CG2-CD1 3.97Å; I179-F191 HydrophobicContact CG2-CD2 4.35Å; I179-F191 HydrophobicContact CG2-CG 3.82Å; I179-L194 HydrophobicContact CD1-CD1 3.47Å; I179-L194 VanDerWaalsContact CD1-CD1 3.47Å
180E97.4Very high97.7Very high120 Ų12065.2 Ų65.256%0.56133%0.327SS*.  trans-71.898.4166.4178.753.6-104.300108.2T178 N182 Q183T178-E180 PolarHBondContact O-N 3.36Å; E180-N182 WeakPolarHBondContact OE1-CB 3.49Å; E180-N182 PolarHBondContact OE1-N 3.43Å; E180-Q183 WeakPolarHBondContact O-CG 3.46Å; E180-Q183 PolarHBondContact O-NE2 3.16Å
181R97.2Very high97.7Very high19 Ų1965.3 Ų65.37%0.07233%0.327CS..  trans-85.1-24-174.771.6160.7-178.5-984.3113.7L35 E38 S39 N40 R111 D147 M148 L149 V151 I179 Q183 F191L35-R181 PolarHBondContact O-NH2 3.47Å; E38-R181 PolarHBondContact O-NH1 2.87Å; E38-R181 PolarHBondContact O-NH2 3.04Å; S39-R181 PolarHBondContact O-NH1 2.95Å; N40-R181 WeakPolarHBondContact OD1-CB 3.48Å; N40-R181 WeakPolarHBondContact OD1-CD 3.38Å; N40-R181 WeakPolarHBondContact OD1-CG 3.48Å; N40-R181 PolarHBondContact OD1-NH1 3.45Å; R111-R181 PolarHBondContact NH1-O 2.75Å; D147-R181 CarbonylContact O-C 3.57Å; D147-R181 VanDerWaalsContact O-C 3.32Å; M148-R181 PolarHBondContact O-NE 2.97Å; L149-R181 WeakPolarHBondContact O-CD 3.05Å; V151-R181 HydrophobicContact CG2-CB 3.95Å; I179-R181 PolarHBondContact O-N 2.97Å; R181-Q183 PolarHBondContact O-N 3.02Å; R181-F191 HydrophobicContact CB-CE1 4.39Å; R181-F191 HydrophobicContact CB-CZ 4.31Å
182N97.7Very high97.7Very high89 Ų8959.2 Ų59.248%0.47630%0.301SS..SBendtrans-77.261.1-174.4-173.816.4000111.9D147 M148 E180D147-N182 WeakPolarHBondContact O-CA 3.15Å; M148-N182 HydrophobicContact SD-CB 3.98Å; M148-N182 PolarHBondContact SD-OD1 2.87Å; E180-N182 WeakPolarHBondContact OE1-CB 3.49Å; E180-N182 PolarHBondContact OE1-N 3.43Å
183Q97.8Very high97.7Very high82 Ų8257.3 Ų57.338%0.38329%0.289SS..SBendtrans-157.2167.9179.359.1179.9-47.400109.5R111 D147 E180 R181 F191R111-Q183 PolarHBondContact NH1-O 2.91Å; R111-Q183 PolarHBondContact NH2-O 2.74Å; D147-Q183 VanDerWaalsContact OD1-O 3.14Å; E180-Q183 WeakPolarHBondContact O-CG 3.46Å; E180-Q183 PolarHBondContact O-NE2 3.16Å; R181-Q183 PolarHBondContact O-N 3.02Å; Q183-F191 HydrophobicContact CG-CE1 4.49Å
184E98.1Very high97.8Very high40 Ų4056.8 Ų56.819%0.18729%0.286CS..PPolyproline II helixtrans-60.5144.8165.6-175.861.9-158.900110.4S116 R117 P186S116-E184 WeakPolarHBondContact CA-OE1 3.3Å; S116-E184 VanDerWaalsContact CB-OE1 3.26Å; S116-E184 WeakPolarHBondContact CB-OE1 3.5Å; S116-E184 PolarHBondContact OG-OE1 3.37Å; R117-E184 WeakPolarHBondContact CB-OE2 3.37Å; R117-E184 WeakPolarHBondContact CD-OE2 3.46Å; R117-E184 VanDerWaalsContact CG-OE2 3.26Å; R117-E184 WeakPolarHBondContact CG-OE2 3.5Å; R117-E184 IonicContact CZ-OE2 3.02Å; R117-E184 PolarHBondContact N-OE1 3.18Å; R117-E184 PolarHBondContact N-OE2 2.88Å; R117-E184 IonicContact NE-OE2 2.66Å; R117-E184 IonicContact NH1-OE2 2.8Å; R117-E184 PolarHBondContact NH1-OE2 3.07Å; E184-P186 VanDerWaalsContact O-CD 3.26Å; E184-P186 WeakPolarHBondContact O-CD 3.42Å; E184-P186 VanDerWaalsContact O-N 3.16Å
185I98.2Very high97.8Very high11 Ų1152 Ų526%0.05626%0.261CS..PPolyproline II helixtrans-57.3120.2177.2-57.3175.2000108.9R111 F191 V195R111-I185 HydrophobicContact CG-CD1 4.48Å; I185-F191 HydrophobicContact CG1-CZ 4.47Å; I185-V195 HydrophobicContact CD1-CG2 4.2Å; I185-V195 HydrophobicContact CG2-CG2 3.91Å
186P97.6Very high97.8Very high42 Ų4250.5 Ų50.527%0.27325%0.252SS..PPolyproline II helixtrans-62.8156.6177.9-23.234.4000111.8E184 K188 F191 C192E184-P186 VanDerWaalsContact O-CD 3.26Å; E184-P186 WeakPolarHBondContact O-CD 3.42Å; E184-P186 VanDerWaalsContact O-N 3.16Å; P186-K188 PolarHBondContact O-N 3.31Å; P186-F191 HydrophobicContact CG-CD1 4.43Å; P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.36Å; P186-C192 PolarHBondContact O-SG 3.5Å; P186-C192 VanDerWaalsContact O-SG 3.42Å
187H94.6Very high97.8Very high135 Ų13550.5 Ų50.563%0.62525%0.252SS*.SBendtrans-70.6-13.9176.4-64.7-79.1000114.1Q118Q118-H187 PolarHBondContact NE2-CE1 3.34Å; Q118-H187 PolarHBondContact NE2-NE2 3.34Å; Q118-H187 VanDerWaalsContact NE2-NE2 3.19Å; Q118-H187 PolarHBondContact OE1-CE1 3.02Å
188K95.4Very high97.8Very high178 Ų17846.1 Ų46.177%0.77424%0.236SC*.SBendtrans-158.4165.2-178.263.8178.6-178.81780112.1P186P186-K188 PolarHBondContact O-N 3.31Å
189G97.5Very high97.9Very high22 Ų2240.5 Ų40.523%0.22720%0.202CC..SBendtrans91.8176.117600000112.5F191 C192 D193G189-F191 VanDerWaalsContact C-N 3.33Å; G189-F191 PolarHBondContact O-N 3.5Å; G189-C192 WeakPolarHBondContact O-CA 3.48Å; G189-C192 VanDerWaalsContact O-CB 3.27Å; G189-C192 WeakPolarHBondContact O-CB 3.3Å; G189-C192 PolarHBondContact O-N 2.91Å; G189-D193 PolarHBondContact O-N 3.23Å
190A97.8Very high97.8Very high25 Ų2543.2 Ų43.221%0.20721%0.214CC..Hα-helixtrans-30.9-55.9-176.900000116.2D169 I170 I179 D193 L194D169-A190 HydrophobicContact CB-CB 4.26Å; I170-A190 HydrophobicContact CD1-CB 3.73Å; I170-A190 HydrophobicContact CG1-CB 3.87Å; I179-A190 HydrophobicContact CD1-CB 4.47Å; A190-D193 PolarHBondContact O-N 2.88Å; A190-L194 WeakPolarHBondContact O-CG 3.12Å; A190-L194 PolarHBondContact O-N 3.13Å
191F98.5Very high97.8Very high9 Ų943.9 Ų43.94%0.03922%0.221CC..Hα-helixtrans-67-42-177.7-170.4-169.1000112.7V151 I179 R181 Q183 I185 P186 G189 D193 V195V151-F191 HydrophobicContact CG1-CD2 4.31Å; V151-F191 HydrophobicContact CG1-CE2 4.33Å; V151-F191 HydrophobicContact CG2-CD2 4.32Å; V151-F191 HydrophobicContact CG2-CE2 3.88Å; V151-F191 HydrophobicContact CG2-CZ 4.37Å; I179-F191 HydrophobicContact CD1-CB 4.49Å; I179-F191 HydrophobicContact CG2-CB 3.86Å; I179-F191 HydrophobicContact CG2-CD1 3.97Å; I179-F191 HydrophobicContact CG2-CD2 4.35Å; I179-F191 HydrophobicContact CG2-CG 3.82Å; R181-F191 HydrophobicContact CB-CE1 4.39Å; R181-F191 HydrophobicContact CB-CZ 4.31Å; Q183-F191 HydrophobicContact CG-CE1 4.49Å; I185-F191 HydrophobicContact CG1-CZ 4.47Å; P186-F191 HydrophobicContact CG-CD1 4.43Å; G189-F191 VanDerWaalsContact C-N 3.33Å; G189-F191 PolarHBondContact O-N 3.5Å; F191-D193 VanDerWaalsContact C-N 3.34Å; F191-D193 PolarHBondContact O-N 2.77Å; F191-V195 HydrophobicContact CE2-CG1 4.45Å
192C98.6Very high97.7Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-59-47.8174-176.80000110.7P186 G189 L194 V195 W196P186-C192 VanDerWaalsContact O-CB 3.23Å; P186-C192 WeakPolarHBondContact O-CB 3.36Å; P186-C192 PolarHBondContact O-SG 3.5Å; P186-C192 VanDerWaalsContact O-SG 3.42Å; G189-C192 WeakPolarHBondContact O-CA 3.48Å; G189-C192 VanDerWaalsContact O-CB 3.27Å; G189-C192 WeakPolarHBondContact O-CB 3.3Å; G189-C192 PolarHBondContact O-N 2.91Å; C192-L194 PolarHBondContact O-N 3.3Å; C192-V195 VanDerWaalsContact O-CG2 3.28Å; C192-V195 WeakPolarHBondContact O-CG2 3.18Å; C192-V195 PolarHBondContact O-N 2.86Å; C192-W196 WeakPolarHBondContact O-CB 3.43Å; C192-W196 VanDerWaalsContact O-CD1 3.29Å; C192-W196 PolarHBondContact O-N 3.12Å; C192-W196 VanDerWaalsContact SG-CD1 3.59Å
193D98.7Very high97.4Very high4 Ų446 Ų462%0.02124%0.235CC..Hα-helixtrans-63.1-41.3-176.1-59.6-18.7000112.1S167 G189 A190 F191 V195 W196 S197S167-D193 VanDerWaalsContact CB-CB 3.5Å; S167-D193 WeakPolarHBondContact CB-OD2 3.44Å; S167-D193 PolarHBondContact OG-OD2 3.49Å; G189-D193 PolarHBondContact O-N 3.23Å; A190-D193 PolarHBondContact O-N 2.88Å; F191-D193 VanDerWaalsContact C-N 3.34Å; F191-D193 PolarHBondContact O-N 2.77Å; D193-V195 PolarHBondContact O-N 3.23Å; D193-V195 VanDerWaalsContact O-N 3.14Å; D193-W196 PolarHBondContact O-N 2.92Å; D193-S197 WeakPolarHBondContact O-CB 3.37Å; D193-S197 PolarHBondContact O-N 3.3Å; D193-S197 PolarHBondContact O-OG 3Å
194L98.8Very high97.3Very high2 Ų245.4 Ų45.41%0.0124%0.237CC..Hα-helixtrans-59.8-26.8179.3-71.9174.7000113.2V151 V162 G164 G165 I170 I176 I179 A190 C192V151-L194 HydrophobicContact CG1-CB 4.24Å; V151-L194 HydrophobicContact CG1-CD1 3.45Å; V151-L194 VanDerWaalsContact CG1-CD1 3.45Å; V162-L194 HydrophobicContact CG2-CB 4.06Å; V162-L194 HydrophobicContact CG2-CD2 4.21Å; V162-L194 VanDerWaalsContact CG2-O 3.25Å; V162-L194 WeakPolarHBondContact CG2-O 3.46Å; G164-L194 CarbonylContact C-O 3.54Å; G164-L194 WeakPolarHBondContact CA-O 3.41Å; G164-L194 PolarHBondContact N-O 3.35Å; G165-L194 PolarHBondContact N-O 3.36Å; G165-L194 WeakPolarHBondContact O-CA 3.26Å; G165-L194 WeakPolarHBondContact O-CD2 3.39Å; I170-L194 HydrophobicContact CD1-CD1 3.56Å; I170-L194 HydrophobicContact CD1-CD2 3.75Å; I170-L194 HydrophobicContact CD1-CG 3.63Å; I176-L194 HydrophobicContact CD1-CD2 4.27Å; I176-L194 HydrophobicContact CG1-CD1 4.21Å; I176-L194 HydrophobicContact CG2-CD1 3.87Å; I179-L194 HydrophobicContact CD1-CD1 3.47Å; I179-L194 VanDerWaalsContact CD1-CD1 3.47Å; A190-L194 WeakPolarHBondContact O-CG 3.12Å; A190-L194 PolarHBondContact O-N 3.13Å; C192-L194 PolarHBondContact O-N 3.3Å
195V98.7Very high97.3Very high0 Ų047.1 Ų47.10%024%0.242CC..Hα-helixtrans-103.3-13.4179.1-57.30000113.8R111 N113 H163 I185 F191 C192 D193R111-V195 WeakPolarHBondContact O-CG1 3.42Å; N113-V195 HydrophobicContact CB-CB 4.24Å; N113-V195 HydrophobicContact CB-CG2 4.18Å; H163-V195 PolarHBondContact CD2-O 3.41Å; I185-V195 HydrophobicContact CD1-CG2 4.2Å; I185-V195 HydrophobicContact CG2-CG2 3.91Å; F191-V195 HydrophobicContact CE2-CG1 4.45Å; C192-V195 VanDerWaalsContact O-CG2 3.28Å; C192-V195 WeakPolarHBondContact O-CG2 3.18Å; C192-V195 PolarHBondContact O-N 2.86Å; D193-V195 PolarHBondContact O-N 3.23Å; D193-V195 VanDerWaalsContact O-N 3.14Å
196W98.8Very high97.3Very high43 Ų4348.1 Ų48.116%0.16325%0.252CS..Hα-helixtrans-117.6-18.7-175.8-77.1102.1000115.6N113 I119 C192 D193 R210 A212 H237N113-W196 HydrophobicContact CB-CD2 3.91Å; N113-W196 HydrophobicContact CB-CE3 4.46Å; N113-W196 HydrophobicContact CB-CG 4.32Å; N113-W196 HydrophobicContact CB-CH2 4.37Å; N113-W196 HydrophobicContact CB-CZ2 3.78Å; N113-W196 VanDerWaalsContact ND2-CH2 3.28Å; N113-W196 WeakPolarHBondContact ND2-CH2 3.43Å; N113-W196 WeakPolarHBondContact ND2-CZ2 3.49Å; I119-W196 HydrophobicContact CD1-CH2 4.05Å; I119-W196 HydrophobicContact CD1-CZ2 3.86Å; I119-W196 HydrophobicContact CG1-CZ2 4.18Å; C192-W196 WeakPolarHBondContact O-CB 3.43Å; C192-W196 VanDerWaalsContact O-CD1 3.29Å; C192-W196 PolarHBondContact O-N 3.12Å; C192-W196 VanDerWaalsContact SG-CD1 3.59Å; D193-W196 PolarHBondContact O-N 2.92Å; W196-R210 HydrophobicContact CE3-CB 4.25Å; W196-R210 HydrophobicContact CZ3-CB 4.44Å; W196-A212 HydrophobicContact CB-CB 4.14Å; W196-A212 HydrophobicContact CD2-CB 3.89Å; W196-A212 HydrophobicContact CE3-CB 4.34Å; W196-A212 HydrophobicContact CG-CB 3.8Å; W196-H237 AromaticContact CE3-CE1 3.88Å; W196-H237 AromaticContact CE3-NE2 3.93Å
197S98.8Very high97.3Very high0 Ų053 Ų530%027%0.274CS..  trans-70.6151.6-175.9-70.50000112.7G164 G165 L166 D193 W214G164-S197 CarbonylContact C-O 3.53Å; G165-S197 PolarHBondContact N-O 2.66Å; L166-S197 WeakPolarHBondContact O-CB 3.18Å; L166-S197 PolarHBondContact O-OG 3.45Å; D193-S197 WeakPolarHBondContact O-CB 3.37Å; D193-S197 PolarHBondContact O-N 3.3Å; D193-S197 PolarHBondContact O-OG 3Å; S197-W214 CarbonylContact C-O 3.6Å; S197-W214 WeakPolarHBondContact CA-O 3.15Å; S197-W214 VanDerWaalsContact CB-O 3.24Å; S197-W214 WeakPolarHBondContact CB-O 3.39Å; S197-W214 PolarHBondContact OG-N 3.04Å; S197-W214 PolarHBondContact OG-O 2.86Å
198D98.8Very high97.4Very high6 Ų646.8 Ų46.83%0.03225%0.246CC..EExtended strand (participates in β ladder)trans-130.6137.4-175.2-82.7-23.4000112.8R210 W214 L215 F216 R235 H237 Q238D198-R210 IonicContact OD1-NE 3.13Å; D198-R210 IonicContact OD1-NH2 3.94Å; D198-R210 PolarHBondContact OD1-NH2 2.68Å; D198-R210 IonicContact OD2-CZ 3.3Å; D198-R210 IonicContact OD2-NE 3.87Å; D198-R210 PolarHBondContact OD2-NE 3.07Å; D198-R210 IonicContact OD2-NH2 3.79Å; D198-R210 PolarHBondContact OD2-NH2 2.67Å; D198-W214 PolarHBondContact N-O 3.48Å; D198-L215 HydrophobicContact CB-CD2 3.84Å; D198-L215 CarbonylContact O-C 3.57Å; D198-L215 VanDerWaalsContact O-CA 3.24Å; D198-L215 WeakPolarHBondContact O-CA 3.33Å; D198-F216 VanDerWaalsContact C-CD1 3.42Å; D198-F216 WeakPolarHBondContact O-CD1 3.49Å; D198-F216 WeakPolarHBondContact O-CE1 3.29Å; D198-F216 PolarHBondContact O-N 3.34Å; D198-R235 IonicContact OD1-CZ 3.88Å; D198-R235 IonicContact OD1-NH1 2.67Å; D198-R235 PolarHBondContact OD1-NH1 3.4Å; D198-R235 IonicContact OD1-NH2 2.69Å; D198-H237 IonicContact OD1-CD2 3.55Å; D198-H237 PolarHBondContact OD1-CD2 2.89Å; D198-H237 VanDerWaalsContact OD1-CD2 3.3Å; D198-Q238 WeakPolarHBondContact OD1-CG 3.48Å; D198-Q238 PolarHBondContact OD2-NE2 3.03Å
199P98.4Very high97.4Very high2 Ų243.9 Ų43.91%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-68.5138.9166.130.9-36.7000110.9F216 Q238 M247 F248 L252P199-F216 WeakPolarHBondContact CA-O 3.33Å; P199-F216 HydrophobicContact CB-CE1 4.36Å; P199-F216 HydrophobicContact CB-CE2 4.02Å; P199-F216 HydrophobicContact CB-CZ 3.87Å; P199-F216 HydrophobicContact CG-CZ 4.32Å; P199-F216 VanDerWaalsContact N-CE1 3.28Å; P199-Q238 VanDerWaalsContact CD-OE1 3.24Å; P199-M247 HydrophobicContact CB-CE 4.21Å; P199-M247 HydrophobicContact CB-SD 3.94Å; P199-M247 HydrophobicContact CG-SD 3.98Å; P199-F248 HydrophobicContact CB-CE2 3.58Å; P199-F248 HydrophobicContact CB-CZ 3.94Å; P199-L252 HydrophobicContact CB-CD1 4.08Å; P199-L252 HydrophobicContact CB-CD2 4.05Å; P199-L252 HydrophobicContact CG-CD1 4.33Å; P199-L252 HydrophobicContact CG-CD2 3.81Å
200E97.4Very high97.2Very high78 Ų7847.5 Ų47.536%0.36425%0.252SS..  trans-148.8162.3175.5-171.553.9-85.200110.9V202 L215 F216 F248E200-V202 HydrophobicContact CB-CG1 4.39Å; E200-V202 HydrophobicContact CG-CG1 4.18Å; E200-V202 PolarHBondContact O-N 3.15Å; E200-L215 HydrophobicContact CB-CB 4.21Å; E200-L215 HydrophobicContact CB-CD1 4.34Å; E200-L215 HydrophobicContact CB-CD2 4.38Å; E200-L215 HydrophobicContact CG-CD1 4.28Å; E200-F216 PolarHBondContact N-O 2.76Å; E200-F248 WeakPolarHBondContact O-CZ 3.48Å
201D95.7Very high97Very high135 Ų13549.8 Ų49.872%0.72228%0.278SS*.SBendtrans-72.756.6173.7-68.3-31.7000112.2
202V96.4Very high96.9Very high40 Ų4050.3 Ų50.324%0.24228%0.284CS..  trans-110.7160.1170.7-60.60000110.5E200 A206 G217E200-V202 HydrophobicContact CB-CG1 4.39Å; E200-V202 HydrophobicContact CG-CG1 4.18Å; E200-V202 PolarHBondContact O-N 3.15Å; V202-A206 HydrophobicContact CG1-CB 4.22Å; V202-G217 WeakPolarHBondContact O-CA 3.24Å
203D91.2Very high96.9Very high112 Ų11250.9 Ų50.960%0.59929%0.29SS*.SBendtrans-70.9-46-177.8-112.634.1000112.4K219D203-K219 VanDerWaalsContact O-CB 3.3Å; D203-K219 WeakPolarHBondContact O-CB 3.48Å; D203-K219 WeakPolarHBondContact O-CD 3.45Å; D203-K219 WeakPolarHBondContact O-CG 3.32Å; D203-K219 IonicContact OD2-NZ 3.8Å; D203-K219 PolarHBondContact OD2-NZ 3.21Å
204T96.5Very high96.9Very high69 Ų6955 Ų5542%0.42331%0.306SS..SBendtrans-135.4-99.9-177.856.30000111.8F216 G217 K219 V220T204-F216 CarbonylContact O-C 3.15Å; T204-F216 WeakPolarHBondContact O-CA 3.28Å; T204-G217 PolarHBondContact O-N 2.78Å; T204-K219 HydrophobicContact CG2-CB 4.35Å; T204-K219 HydrophobicContact CG2-CD 4.12Å; T204-V220 WeakPolarHBondContact O-CG2 3.28Å
205W98.2Very high96.9Very high77 Ų7756 Ų5629%0.29231%0.311SS..EExtended strand (participates in β ladder)trans-116.3142.6179.5-62.2100.5000110.1L166 P168 W214 L215 F216 V220L166-W205 HydrophobicContact CB-CH2 3.73Å; L166-W205 HydrophobicContact CB-CZ3 4.38Å; P168-W205 VanDerWaalsContact CA-CZ2 3.48Å; P168-W205 HydrophobicContact CB-CD2 4.19Å; P168-W205 HydrophobicContact CB-CH2 4.5Å; P168-W205 HydrophobicContact CB-CZ2 4.04Å; P168-W205 VanDerWaalsContact N-CH2 3.28Å; W205-W214 HydrophobicContact CB-CE3 4.31Å; W205-W214 HydrophobicContact CE3-CB 3.66Å; W205-W214 HydrophobicContact CE3-CG 4.13Å; W205-W214 HydrophobicContact CZ3-CB 3.94Å; W205-W214 HydrophobicContact CZ3-CG 4.46Å; W205-L215 CarbonylContact C-O 3.59Å; W205-L215 WeakPolarHBondContact CA-O 3.44Å; W205-F216 HydrophobicContact CD2-CB 4.45Å; W205-F216 HydrophobicContact CE3-CB 3.7Å; W205-F216 HydrophobicContact CH2-CB 4.2Å; W205-F216 HydrophobicContact CZ3-CB 3.56Å; W205-F216 HydrophobicContact CZ3-CG 4.34Å; W205-V220 HydrophobicContact CD2-CG1 4.42Å; W205-V220 HydrophobicContact CD2-CG2 4.09Å; W205-V220 HydrophobicContact CG-CG2 4.22Å; W205-V220 HydrophobicContact CH2-CG1 3.61Å; W205-V220 HydrophobicContact CZ2-CB 4.34Å; W205-V220 HydrophobicContact CZ2-CG1 3.23Å; W205-V220 HydrophobicContact CZ2-CG2 4.14Å; W205-V220 HydrophobicContact CZ3-CG1 4.36Å
206A98Very high96.9Very high32 Ų3256 Ų5626%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-139.8161.5168.300000111V202 S208 L215V202-A206 HydrophobicContact CG1-CB 4.22Å; A206-S208 PolarHBondContact O-N 3.45Å; A206-L215 HydrophobicContact CB-CB 4.1Å; A206-L215 HydrophobicContact CB-CD1 4.37Å; A206-L215 PolarHBondContact N-O 3.12Å; A206-L215 PolarHBondContact O-N 3.01Å
207I96.8Very high96.9Very high144 Ų14453.9 Ų53.974%0.73830%0.303SS*.EExtended strand (participates in β ladder)trans-67.3130.3-179.9-63.4173.7000109.1W214I207-W214 HydrophobicContact CG1-CZ3 4.47Å
208S97Very high96.8Very high5 Ų555.5 Ų55.54%0.03532%0.316CS..  trans-69.3132.2176.1178.20000111.5A206 R210 G211 A212 G213A206-S208 PolarHBondContact O-N 3.45Å; S208-R210 PolarHBondContact O-N 3.33Å; S208-R210 WeakPolarHBondContact OG-CB 3.17Å; S208-R210 WeakPolarHBondContact OG-CG 3.19Å; S208-R210 PolarHBondContact OG-N 3.19Å; S208-G211 PolarHBondContact O-N 2.77Å; S208-A212 WeakPolarHBondContact CB-O 3.28Å; S208-A212 PolarHBondContact OG-O 3.34Å; S208-A212 VanDerWaalsContact OG-O 3.07Å; S208-G213 WeakPolarHBondContact CB-O 3.34Å
209P95.6Very high96.8Very high116 Ų11660.7 Ų60.775%0.75334%0.338SS*.THydrogen-bonded Turntrans-69-10.3173.131-35.4000112.5G211P209-G211 PolarHBondContact O-N 2.86Å
210R93.5Very high96.8Very high98 Ų9861.2 Ų61.237%0.3734%0.341SS..THydrogen-bonded Turntrans-70.3-14.8176-57.5-175.6-178.8-100.97.9113.2W196 D198 S208 A212 H237 Q238W196-R210 HydrophobicContact CE3-CB 4.25Å; W196-R210 HydrophobicContact CZ3-CB 4.44Å; D198-R210 IonicContact OD1-NE 3.13Å; D198-R210 IonicContact OD1-NH2 3.94Å; D198-R210 PolarHBondContact OD1-NH2 2.68Å; D198-R210 IonicContact OD2-CZ 3.3Å; D198-R210 IonicContact OD2-NE 3.87Å; D198-R210 PolarHBondContact OD2-NE 3.07Å; D198-R210 IonicContact OD2-NH2 3.79Å; D198-R210 PolarHBondContact OD2-NH2 2.67Å; S208-R210 PolarHBondContact O-N 3.33Å; S208-R210 WeakPolarHBondContact OG-CB 3.17Å; S208-R210 WeakPolarHBondContact OG-CG 3.19Å; S208-R210 PolarHBondContact OG-N 3.19Å; R210-A212 PolarHBondContact O-N 3.2Å; R210-H237 WeakPolarHBondContact CD-NE2 3.15Å; R210-H237 PolarHBondContact NE-NE2 3.41Å; R210-H237 PolarHBondContact NH1-NE2 2.69Å; R210-Q238 VanDerWaalsContact NH2-CG 3.35Å
211G93.8Very high96.9Very high74 Ų7457.5 Ų57.576%0.76332%0.324SS*.SBendtrans77.94-172.500000114.2S208 P209S208-G211 PolarHBondContact O-N 2.77Å; P209-G211 PolarHBondContact O-N 2.86Å
212A96.3Very high97Very high19 Ų1953 Ų5316%0.15730%0.3CS..SBendtrans-148152.1174.500000109.5W196 S208 R210W196-A212 HydrophobicContact CB-CB 4.14Å; W196-A212 HydrophobicContact CD2-CB 3.89Å; W196-A212 HydrophobicContact CE3-CB 4.34Å; W196-A212 HydrophobicContact CG-CB 3.8Å; S208-A212 WeakPolarHBondContact CB-O 3.28Å; S208-A212 PolarHBondContact OG-O 3.34Å; S208-A212 VanDerWaalsContact OG-O 3.07Å; R210-A212 PolarHBondContact O-N 3.2Å
213G97.6Very high97.1Very high13 Ų1356.5 Ų56.513%0.13431%0.314CS..SBendtrans66.8-166-174.800000114.2S208S208-G213 WeakPolarHBondContact CB-O 3.34Å
214W98.6Very high97.4Very high90 Ų9051.6 Ų51.634%0.34129%0.287SS..EExtended strand (participates in β ladder)trans-132155.5-176.6-63.183.2000112.1P168 S197 D198 W205 I207P168-W214 VanDerWaalsContact CD-CD1 3.46Å; P168-W214 HydrophobicContact CG-CD2 4.17Å; P168-W214 HydrophobicContact CG-CG 4.27Å; P168-W214 HydrophobicContact CG-CZ2 4.19Å; S197-W214 CarbonylContact C-O 3.6Å; S197-W214 WeakPolarHBondContact CA-O 3.15Å; S197-W214 VanDerWaalsContact CB-O 3.24Å; S197-W214 WeakPolarHBondContact CB-O 3.39Å; S197-W214 PolarHBondContact OG-N 3.04Å; S197-W214 PolarHBondContact OG-O 2.86Å; D198-W214 PolarHBondContact N-O 3.48Å; W205-W214 HydrophobicContact CB-CE3 4.31Å; W205-W214 HydrophobicContact CE3-CB 3.66Å; W205-W214 HydrophobicContact CE3-CG 4.13Å; W205-W214 HydrophobicContact CZ3-CB 3.94Å; W205-W214 HydrophobicContact CZ3-CG 4.46Å; I207-W214 HydrophobicContact CG1-CZ3 4.47Å
215L98.7Very high97.6Very high22 Ų2248.8 Ų48.812%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-83.5137.6158.2-56.6-178.2000108.9D198 E200 W205 A206D198-L215 HydrophobicContact CB-CD2 3.84Å; D198-L215 CarbonylContact O-C 3.57Å; D198-L215 VanDerWaalsContact O-CA 3.24Å; D198-L215 WeakPolarHBondContact O-CA 3.33Å; E200-L215 HydrophobicContact CB-CB 4.21Å; E200-L215 HydrophobicContact CB-CD1 4.34Å; E200-L215 HydrophobicContact CB-CD2 4.38Å; E200-L215 HydrophobicContact CG-CD1 4.28Å; W205-L215 CarbonylContact C-O 3.59Å; W205-L215 WeakPolarHBondContact CA-O 3.44Å; A206-L215 HydrophobicContact CB-CB 4.1Å; A206-L215 HydrophobicContact CB-CD1 4.37Å; A206-L215 PolarHBondContact N-O 3.12Å; A206-L215 PolarHBondContact O-N 3.01Å
216F98.8Very high97.6Very high0 Ų052.7 Ų52.70%029%0.291CS..EExtended strand (participates in β ladder)trans-133.5143.5177.866.5-85.4000113.2L166 D198 P199 E200 T204 W205 V220 F248 L252L166-F216 HydrophobicContact CB-CD2 4.37Å; L166-F216 HydrophobicContact CB-CG 4.37Å; L166-F216 HydrophobicContact CD1-CD2 4.08Å; L166-F216 HydrophobicContact CD1-CE2 4.11Å; L166-F216 HydrophobicContact CG-CD2 4.29Å; L166-F216 HydrophobicContact CG-CE2 4.09Å; L166-F216 HydrophobicContact CG-CZ 4.4Å; D198-F216 VanDerWaalsContact C-CD1 3.42Å; D198-F216 WeakPolarHBondContact O-CD1 3.49Å; D198-F216 WeakPolarHBondContact O-CE1 3.29Å; D198-F216 PolarHBondContact O-N 3.34Å; P199-F216 WeakPolarHBondContact CA-O 3.33Å; P199-F216 HydrophobicContact CB-CE1 4.36Å; P199-F216 HydrophobicContact CB-CE2 4.02Å; P199-F216 HydrophobicContact CB-CZ 3.87Å; P199-F216 HydrophobicContact CG-CZ 4.32Å; P199-F216 VanDerWaalsContact N-CE1 3.28Å; E200-F216 PolarHBondContact N-O 2.76Å; T204-F216 CarbonylContact O-C 3.15Å; T204-F216 WeakPolarHBondContact O-CA 3.28Å; W205-F216 HydrophobicContact CD2-CB 4.45Å; W205-F216 HydrophobicContact CE3-CB 3.7Å; W205-F216 HydrophobicContact CH2-CB 4.2Å; W205-F216 HydrophobicContact CZ3-CB 3.56Å; W205-F216 HydrophobicContact CZ3-CG 4.34Å; F216-V220 HydrophobicContact CB-CB 4.36Å; F216-V220 HydrophobicContact CB-CG1 4.13Å; F216-F248 HydrophobicContact CD2-CE2 4.49Å; F216-F248 HydrophobicContact CE2-CE2 4.4Å; F216-L252 HydrophobicContact CE2-CD1 3.5Å; F216-L252 VanDerWaalsContact CE2-CD1 3.5Å; F216-L252 HydrophobicContact CZ-CD1 3.63Å
217G98.4Very high97.6Very high0 Ų055 Ų550%030%0.298CS..  trans-102.1-174.8-17200000115.6V202 T204 K219 V220 T221V202-G217 WeakPolarHBondContact O-CA 3.24Å; T204-G217 PolarHBondContact O-N 2.78Å; G217-K219 PolarHBondContact O-N 2.63Å; G217-V220 PolarHBondContact O-N 2.93Å; G217-T221 PolarHBondContact O-N 2.65Å; G217-T221 VanDerWaalsContact O-N 3.12Å; G217-T221 PolarHBondContact O-OG1 3.35Å
218A98Very high97.7Very high34 Ų3449.3 Ų49.328%0.28127%0.269SS..Hα-helixtrans-60.7-40.4178.800000112.8T221 N222 F248A218-T221 PolarHBondContact O-N 2.81Å; A218-N222 VanDerWaalsContact O-CB 3.24Å; A218-N222 WeakPolarHBondContact O-CB 3.3Å; A218-N222 VanDerWaalsContact O-CG 3.24Å; A218-N222 PolarHBondContact O-N 3.42Å; A218-N222 PolarHBondContact O-ND2 3.23Å; A218-F248 HydrophobicContact CB-CB 4.18Å; A218-F248 HydrophobicContact CB-CD1 3.49Å; A218-F248 VanDerWaalsContact CB-CD1 3.49Å; A218-F248 HydrophobicContact CB-CE1 4.07Å; A218-F248 HydrophobicContact CB-CG 3.96Å
219K98.3Very high97.7Very high115 Ų11554.8 Ų54.850%0.530%0.298SS..Hα-helixtrans-63.7-45.6-178.3-66.5176179.5163.30111.5D203 T204 G217 N222 E223D203-K219 VanDerWaalsContact O-CB 3.3Å; D203-K219 WeakPolarHBondContact O-CB 3.48Å; D203-K219 WeakPolarHBondContact O-CD 3.45Å; D203-K219 WeakPolarHBondContact O-CG 3.32Å; D203-K219 IonicContact OD2-NZ 3.8Å; D203-K219 PolarHBondContact OD2-NZ 3.21Å; T204-K219 HydrophobicContact CG2-CB 4.35Å; T204-K219 HydrophobicContact CG2-CD 4.12Å; G217-K219 PolarHBondContact O-N 2.63Å; K219-N222 PolarHBondContact O-N 2.96Å; K219-E223 WeakPolarHBondContact O-CB 3.48Å; K219-E223 PolarHBondContact O-N 3.02Å
220V98.4Very high97.9Very high12 Ų1250 Ų507%0.07327%0.266CS..Hα-helixtrans-60.9-48177.9173.20000110.7L166 T204 W205 F216 G217 N222 E223 F224L166-V220 HydrophobicContact CB-CG1 4.46Å; L166-V220 HydrophobicContact CD1-CG1 3.9Å; T204-V220 WeakPolarHBondContact O-CG2 3.28Å; W205-V220 HydrophobicContact CD2-CG1 4.42Å; W205-V220 HydrophobicContact CD2-CG2 4.09Å; W205-V220 HydrophobicContact CG-CG2 4.22Å; W205-V220 HydrophobicContact CH2-CG1 3.61Å; W205-V220 HydrophobicContact CZ2-CB 4.34Å; W205-V220 HydrophobicContact CZ2-CG1 3.23Å; W205-V220 HydrophobicContact CZ2-CG2 4.14Å; W205-V220 HydrophobicContact CZ3-CG1 4.36Å; F216-V220 HydrophobicContact CB-CB 4.36Å; F216-V220 HydrophobicContact CB-CG1 4.13Å; G217-V220 PolarHBondContact O-N 2.93Å; V220-N222 PolarHBondContact O-N 3.13Å; V220-E223 PolarHBondContact O-N 2.98Å; V220-F224 WeakPolarHBondContact O-CB 3.27Å; V220-F224 PolarHBondContact O-N 3.47Å
221T98.6Very high98.1Very high0 Ų049.2 Ų49.20%027%0.265CS..Hα-helixtrans-59.4-49.4178.1-56.90000111.1G217 A218 E223 F224 V225 I233 F248 K251 L252G217-T221 PolarHBondContact O-N 2.65Å; G217-T221 VanDerWaalsContact O-N 3.12Å; G217-T221 PolarHBondContact O-OG1 3.35Å; A218-T221 PolarHBondContact O-N 2.81Å; T221-E223 PolarHBondContact O-N 2.92Å; T221-F224 PolarHBondContact O-N 3.34Å; T221-V225 HydrophobicContact CG2-CG2 4.38Å; T221-V225 WeakPolarHBondContact O-CB 3.18Å; T221-V225 VanDerWaalsContact O-CG2 3.23Å; T221-V225 WeakPolarHBondContact O-CG2 3.15Å; T221-V225 PolarHBondContact O-N 3.42Å; T221-I233 HydrophobicContact CG2-CD1 4.12Å; T221-F248 HydrophobicContact CG2-CB 4.31Å; T221-F248 HydrophobicContact CG2-CD2 3.93Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.18Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.12Å; T221-K251 HydrophobicContact CG2-CB 4.33Å; T221-L252 HydrophobicContact CG2-CB 4.14Å
222N98.3Very high98.3Very high42 Ų4245.8 Ų45.823%0.22523%0.229CC..Hα-helixtrans-60.8-43.8-179.5-80.9-49.5000112.7A218 K219 V220 H226 K251A218-N222 VanDerWaalsContact O-CB 3.24Å; A218-N222 WeakPolarHBondContact O-CB 3.3Å; A218-N222 VanDerWaalsContact O-CG 3.24Å; A218-N222 PolarHBondContact O-N 3.42Å; A218-N222 PolarHBondContact O-ND2 3.23Å; K219-N222 PolarHBondContact O-N 2.96Å; V220-N222 PolarHBondContact O-N 3.13Å; N222-H226 VanDerWaalsContact O-CB 3.31Å; N222-H226 WeakPolarHBondContact O-CB 3.49Å; N222-H226 PolarHBondContact O-N 3.21Å; N222-K251 WeakPolarHBondContact OD1-CD 3.23Å; N222-K251 WeakPolarHBondContact OD1-CE 3.27Å; N222-K251 PolarHBondContact OD1-NZ 3.49Å
223E98.4Very high98.5Very high112 Ų11244.9 Ų44.952%0.52322%0.222SC..Hα-helixtrans-64.1-48.5177.6-177.4178175.900111.2K219 V220 T221 V225 H226 I227K219-E223 WeakPolarHBondContact O-CB 3.48Å; K219-E223 PolarHBondContact O-N 3.02Å; V220-E223 PolarHBondContact O-N 2.98Å; T221-E223 PolarHBondContact O-N 2.92Å; E223-V225 PolarHBondContact O-N 2.89Å; E223-H226 PolarHBondContact O-N 3.46Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.36Å; E223-I227 WeakPolarHBondContact O-CB 3.46Å; E223-I227 WeakPolarHBondContact O-CG1 3.38Å; E223-I227 PolarHBondContact O-N 2.93Å
224F98.8Very high98.5Very high10 Ų1044.2 Ų44.24%0.04422%0.215CC..Hα-helixtrans-61.4-45.2179.8-171.2-84.4000111.9L160 L166 I170 L173 V220 T221 H226 I227 N228 L230 I233L160-F224 HydrophobicContact CD2-CE1 3.66Å; L160-F224 HydrophobicContact CD2-CZ 4.11Å; L166-F224 HydrophobicContact CD1-CB 3.83Å; L166-F224 HydrophobicContact CD1-CG 4.05Å; L166-F224 HydrophobicContact CD2-CD1 3.85Å; L166-F224 HydrophobicContact CD2-CD2 4.02Å; L166-F224 HydrophobicContact CD2-CE1 4Å; L166-F224 HydrophobicContact CD2-CE2 4.15Å; L166-F224 HydrophobicContact CD2-CG 3.86Å; L166-F224 HydrophobicContact CD2-CZ 4.15Å; I170-F224 HydrophobicContact CG2-CE2 4.05Å; L173-F224 HydrophobicContact CD2-CE1 4.39Å; L173-F224 HydrophobicContact CD2-CZ 4.29Å; V220-F224 WeakPolarHBondContact O-CB 3.27Å; V220-F224 PolarHBondContact O-N 3.47Å; T221-F224 PolarHBondContact O-N 3.34Å; F224-H226 VanDerWaalsContact C-N 3.32Å; F224-H226 PolarHBondContact O-N 3.49Å; F224-I227 PolarHBondContact O-N 3.36Å; F224-N228 WeakPolarHBondContact O-CB 3.36Å; F224-N228 PolarHBondContact O-N 3.34Å; F224-N228 VanDerWaalsContact O-N 3.11Å; F224-N228 PolarHBondContact O-ND2 2.77Å; F224-L230 HydrophobicContact CD1-CD1 4.1Å; F224-L230 HydrophobicContact CE1-CD1 3.81Å; F224-I233 HydrophobicContact CD1-CD1 4.06Å
225V98.6Very high98.5Very high9 Ų940 Ų406%0.05520%0.199CC..Hα-helixtrans-60.6-42.9177.1167.80000110.9T221 E223 N229 L230 I233 K251T221-V225 HydrophobicContact CG2-CG2 4.38Å; T221-V225 WeakPolarHBondContact O-CB 3.18Å; T221-V225 VanDerWaalsContact O-CG2 3.23Å; T221-V225 WeakPolarHBondContact O-CG2 3.15Å; T221-V225 PolarHBondContact O-N 3.42Å; E223-V225 PolarHBondContact O-N 2.89Å; V225-N229 PolarHBondContact O-N 3.17Å; V225-L230 HydrophobicContact CB-CB 4.49Å; V225-L230 HydrophobicContact CG1-CB 4.19Å; V225-L230 WeakPolarHBondContact CG1-O 3.08Å; V225-L230 HydrophobicContact CG2-CB 4.47Å; V225-L230 PolarHBondContact O-N 3.39Å; V225-I233 HydrophobicContact CG2-CD1 3.75Å; V225-I233 HydrophobicContact CG2-CG1 4.05Å; V225-K251 HydrophobicContact CG1-CD 4.37Å; V225-K251 HydrophobicContact CG2-CB 4.42Å
226H98.5Very high98.5Very high159 Ų15938.9 Ų38.974%0.73619%0.194SC*.Hα-helixtrans-65.9-50.2178.2-179.664.9000112.7N222 E223 F224 N228 N229N222-H226 VanDerWaalsContact O-CB 3.31Å; N222-H226 WeakPolarHBondContact O-CB 3.49Å; N222-H226 PolarHBondContact O-N 3.21Å; E223-H226 PolarHBondContact O-N 3.46Å; F224-H226 VanDerWaalsContact C-N 3.32Å; F224-H226 PolarHBondContact O-N 3.49Å; H226-N228 VanDerWaalsContact C-N 3.26Å; H226-N228 PolarHBondContact O-N 3.08Å; H226-N229 PolarHBondContact O-N 3.17Å
227I98.5Very high98.5Very high80 Ų8039.4 Ų39.441%0.4120%0.196SC..Hα-helixtrans-58.9-39.6-178.5-72.3172.1000111.3T172 E223 F224T172-I227 HydrophobicContact CG2-CG2 4.02Å; E223-I227 HydrophobicContact CG-CD1 3.66Å; E223-I227 HydrophobicContact CG-CG1 4.36Å; E223-I227 WeakPolarHBondContact O-CB 3.46Å; E223-I227 WeakPolarHBondContact O-CG1 3.38Å; E223-I227 PolarHBondContact O-N 2.93Å; F224-I227 PolarHBondContact O-N 3.36Å
228N98.7Very high98.5Very high25 Ų2541.3 Ų41.313%0.13421%0.205CC..THydrogen-bonded Turntrans-94.67.2-175.1-65.8-78.5000113.6K171 T172 L173 F224 H226 L230K171-N228 PolarHBondContact O-ND2 2.93Å; T172-N228 WeakPolarHBondContact CA-OD1 3.4Å; L173-N228 HydrophobicContact CD1-CB 4.28Å; L173-N228 HydrophobicContact CG-CB 4.13Å; L173-N228 PolarHBondContact N-OD1 3.33Å; F224-N228 WeakPolarHBondContact O-CB 3.36Å; F224-N228 PolarHBondContact O-N 3.34Å; F224-N228 VanDerWaalsContact O-N 3.11Å; F224-N228 PolarHBondContact O-ND2 2.77Å; H226-N228 VanDerWaalsContact C-N 3.26Å; H226-N228 PolarHBondContact O-N 3.08Å; N228-L230 HydrophobicContact CB-CD1 3.94Å; N228-L230 HydrophobicContact CB-CG 3.82Å; N228-L230 PolarHBondContact O-N 2.87Å
229N98.3Very high98.5Very high121 Ų12142.7 Ų42.765%0.64721%0.207SC*.THydrogen-bonded Turntrans51.738.7-177.1-169.645.2000113.2V225 H226V225-N229 PolarHBondContact O-N 3.17Å; H226-N229 PolarHBondContact O-N 3.17Å
230L98.7Very high98.4Very high14 Ų1437.8 Ų37.87%0.07319%0.187CC..  trans-88161.5177.8-61.7174.3000110.5L154 Q158 L160 L173 F224 V225 N228L154-L230 HydrophobicContact CD1-CD2 3.68Å; Q158-L230 CarbonylContact O-C 3.59Å; Q158-L230 WeakPolarHBondContact O-CA 3.5Å; L160-L230 HydrophobicContact CB-CD1 3.79Å; L160-L230 HydrophobicContact CB-CD2 4.49Å; L160-L230 HydrophobicContact CD2-CD1 4.4Å; L173-L230 HydrophobicContact CD1-CD2 4.27Å; F224-L230 HydrophobicContact CD1-CD1 4.1Å; F224-L230 HydrophobicContact CE1-CD1 3.81Å; V225-L230 HydrophobicContact CB-CB 4.49Å; V225-L230 HydrophobicContact CG1-CB 4.19Å; V225-L230 WeakPolarHBondContact CG1-O 3.08Å; V225-L230 HydrophobicContact CG2-CB 4.47Å; V225-L230 PolarHBondContact O-N 3.39Å; N228-L230 HydrophobicContact CB-CD1 3.94Å; N228-L230 HydrophobicContact CB-CG 3.82Å; N228-L230 PolarHBondContact O-N 2.87Å
231K98.3Very high98.3Very high82 Ų8242.4 Ų42.436%0.35721%0.207SC..SBendtrans-103.6-31.5167.2-71.6-178.4173.6162.80112.3Q158 N278Q158-K231 HydrophobicContact CB-CD 4.48Å; Q158-K231 HydrophobicContact CB-CG 4.42Å; Q158-K231 PolarHBondContact O-N 3.44Å; Q158-K231 VanDerWaalsContact OE1-CD 3.23Å; K231-N278 PolarHBondContact NZ-OD1 3.13Å
232L98.7Very high98.2Very high2 Ų248 Ų481%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-152.9143.5-170.3-179.565.2000111I159 L160 E250 K251 V253 F274I159-L232 WeakPolarHBondContact CA-O 3.11Å; I159-L232 HydrophobicContact CG1-CB 4.27Å; I159-L232 HydrophobicContact CG2-CB 4.07Å; I159-L232 HydrophobicContact CG2-CD2 4Å; I159-L232 HydrophobicContact CG2-CG 4.2Å; L160-L232 PolarHBondContact N-O 3.42Å; L232-E250 WeakPolarHBondContact CD1-O 3.14Å; L232-K251 WeakPolarHBondContact CA-O 3.46Å; L232-V253 HydrophobicContact CD1-CB 4.27Å; L232-V253 HydrophobicContact CD1-CG1 3.98Å; L232-V253 HydrophobicContact CD2-CG1 3.96Å; L232-V253 HydrophobicContact CG-CG1 4.22Å; L232-F274 HydrophobicContact CD2-CE1 3.82Å; L232-F274 HydrophobicContact CD2-CZ 3.73Å
233I98.9Very high98.2Very high0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-106.1120.6160.3-61.7160.5000107.6L160 V162 L166 T221 F224 V225 K251 L252 V253L160-I233 HydrophobicContact CB-CG1 4.45Å; L160-I233 HydrophobicContact CD2-CG1 4.48Å; L160-I233 CarbonylContact O-C 3.56Å; L160-I233 WeakPolarHBondContact O-CA 2.71Å; V162-I233 HydrophobicContact CG1-CG2 4.45Å; L166-I233 HydrophobicContact CD1-CD1 3.99Å; L166-I233 HydrophobicContact CD2-CD1 3.96Å; L166-I233 HydrophobicContact CG-CD1 4.3Å; T221-I233 HydrophobicContact CG2-CD1 4.12Å; F224-I233 HydrophobicContact CD1-CD1 4.06Å; V225-I233 HydrophobicContact CG2-CD1 3.75Å; V225-I233 HydrophobicContact CG2-CG1 4.05Å; I233-K251 PolarHBondContact N-O 3.47Å; I233-L252 HydrophobicContact CG2-CD1 4.4Å; I233-L252 CarbonylContact O-C 3.08Å; I233-L252 VanDerWaalsContact O-CA 3.29Å; I233-L252 WeakPolarHBondContact O-CA 3.44Å; I233-V253 PolarHBondContact O-N 3.48Å
234C98.8Very high98.2Very high0 Ų044.1 Ų44.10%021%0.211CC..EExtended strand (participates in β ladder)trans-103129.9173.9-170.40000109.1M79 I159 L160 C161 V162 V253M79-C234 HydrophobicContact SD-CB 4.47Å; I159-C234 HydrophobicContact CG2-CB 4.36Å; L160-C234 PolarHBondContact O-N 3.32Å; C161-C234 VanDerWaalsContact CA-O 3.28Å; C161-C234 WeakPolarHBondContact CA-O 3.05Å; V162-C234 PolarHBondContact N-O 3.39Å; C234-V253 WeakPolarHBondContact CA-O 3.3Å; C234-V253 HydrophobicContact CB-CG1 3.94Å
235R98.9Very high98.2Very high0 Ų048.4 Ų48.40%023%0.23CC..EExtended strand (participates in β ladder)trans-144.2171.7-174.968.3128.4-47.3164.647.6114.2M79 V162 H163 G164 D198 L252 V253 T254 V255M79-R235 VanDerWaalsContact CE-O 3.31Å; M79-R235 WeakPolarHBondContact CE-O 3.3Å; V162-R235 HydrophobicContact CG1-CB 4.36Å; V162-R235 WeakPolarHBondContact O-CA 3.44Å; V162-R235 WeakPolarHBondContact O-CB 3.35Å; H163-R235 PolarHBondContact O-NH2 3.47Å; G164-R235 WeakPolarHBondContact O-CB 3.28Å; G164-R235 VanDerWaalsContact O-CD 3.3Å; G164-R235 WeakPolarHBondContact O-CD 3.46Å; G164-R235 PolarHBondContact O-NE 2.88Å; G164-R235 PolarHBondContact O-NH2 2.92Å; D198-R235 IonicContact OD1-CZ 3.88Å; D198-R235 IonicContact OD1-NH1 2.67Å; D198-R235 PolarHBondContact OD1-NH1 3.4Å; D198-R235 IonicContact OD1-NH2 2.69Å; R235-L252 HydrophobicContact CG-CD1 4.47Å; R235-L252 HydrophobicContact CG-CD2 4.16Å; R235-L252 HydrophobicContact CG-CG 4.35Å; R235-V253 WeakPolarHBondContact CG-O 3.25Å; R235-V253 PolarHBondContact N-O 3.21Å; R235-T254 CarbonylContact O-C 3.52Å; R235-T254 WeakPolarHBondContact O-CA 3.38Å; R235-V255 PolarHBondContact O-N 3.35Å
236A98.8Very high98.2Very high0 Ų050.6 Ų50.60%024%0.239CC..  trans-125.4-130.6-174.700000113.6D53 M79 H163 Q238 T254 V255D53-A236 WeakPolarHBondContact OD1-CB 3.38Å; M79-A236 HydrophobicContact CB-CB 3.94Å; M79-A236 HydrophobicContact CE-CB 3.93Å; H163-A236 CarbonylContact O-C 3.48Å; H163-A236 PolarHBondContact O-N 3.25Å; A236-Q238 PolarHBondContact O-N 3.19Å; A236-T254 WeakPolarHBondContact O-CG2 3.33Å; A236-V255 WeakPolarHBondContact CA-O 3.44Å
237H98.6Very high98.2Very high11 Ų1143.9 Ų43.95%0.05121%0.208CC..SBendtrans61.4-35.4165.3-167.352.4000119.3D53 N113 H163 W196 D198 R210D53-H237 PolarHBondContact OD1-N 3.31Å; D53-H237 WeakPolarHBondContact OD2-CA 2.97Å; N113-H237 VanDerWaalsContact CG-CE1 3.45Å; N113-H237 PolarHBondContact OD1-CE1 2.78Å; N113-H237 PolarHBondContact OD1-ND1 3.33Å; H163-H237 AromaticContact NE2-CG 3.92Å; H163-H237 AromaticContact NE2-ND1 3.52Å; W196-H237 AromaticContact CE3-CE1 3.88Å; W196-H237 AromaticContact CE3-NE2 3.93Å; D198-H237 IonicContact OD1-CD2 3.55Å; D198-H237 PolarHBondContact OD1-CD2 2.89Å; D198-H237 VanDerWaalsContact OD1-CD2 3.3Å; R210-H237 WeakPolarHBondContact CD-NE2 3.15Å; R210-H237 PolarHBondContact NE-NE2 3.41Å; R210-H237 PolarHBondContact NH1-NE2 2.69Å
238Q98Very high98.1Very high40 Ų4041.1 Ų41.119%0.18719%0.193CC..SBendtrans-97.8119.4178.6-85175.9-42.400108.9D198 P199 R210 A236 V240 T254D198-Q238 WeakPolarHBondContact OD1-CG 3.48Å; D198-Q238 PolarHBondContact OD2-NE2 3.03Å; P199-Q238 VanDerWaalsContact CD-OE1 3.24Å; R210-Q238 VanDerWaalsContact NH2-CG 3.35Å; A236-Q238 PolarHBondContact O-N 3.19Å; Q238-V240 PolarHBondContact O-N 2.72Å; Q238-T254 HydrophobicContact CB-CG2 4.25Å; Q238-T254 WeakPolarHBondContact O-CG2 3.41Å
239L97.4Very high98Very high63 Ų6346.3 Ų46.333%0.3322%0.221SC..  trans-54.7122.9170.6178.367.2000109.9W256 Y261 C265 N267L239-W256 HydrophobicContact CB-CE3 4.49Å; L239-W256 HydrophobicContact CB-CH2 4.39Å; L239-W256 HydrophobicContact CB-CZ2 4.44Å; L239-W256 HydrophobicContact CB-CZ3 4.39Å; L239-W256 HydrophobicContact CD1-CD2 3.93Å; L239-W256 VanDerWaalsContact CD1-CE2 3.41Å; L239-W256 HydrophobicContact CD1-CG 4.23Å; L239-W256 HydrophobicContact CD1-CZ2 3.76Å; L239-Y261 HydrophobicContact CD2-CD1 4.49Å; L239-C265 HydrophobicContact CD2-CB 4.04Å; L239-N267 HydrophobicContact CD1-CB 4.01Å
240V95.6Very high97.9Very high11 Ų1145.9 Ų45.97%0.06722%0.215CC..  trans-115.7125.2170.1-179.70000108.3Q238 E242 G243 Y244 K245 T254Q238-V240 PolarHBondContact O-N 2.72Å; V240-E242 HydrophobicContact CG1-CB 4.39Å; V240-E242 WeakPolarHBondContact CG1-OE2 3.34Å; V240-E242 PolarHBondContact O-N 2.74Å; V240-G243 PolarHBondContact O-N 3.47Å; V240-Y244 WeakPolarHBondContact CG1-O 3.28Å; V240-K245 HydrophobicContact CG1-CB 3.83Å; V240-K245 HydrophobicContact CG2-CB 3.94Å; V240-T254 HydrophobicContact CG2-CG2 3.71Å
241H96.9Very high97.9Very high109 Ų10948.5 Ų48.551%0.50523%0.226SC..THydrogen-bonded Turntrans-62.3-34-175.2-85.7-73.2000112.9G243 N267 I268H241-G243 VanDerWaalsContact C-N 3.29Å; H241-N267 WeakPolarHBondContact O-CA 3.12Å; H241-I268 WeakPolarHBondContact O-CG1 3.26Å; H241-I268 PolarHBondContact O-N 2.98Å
242E97.5Very high97.9Very high119 Ų11944.6 Ų44.656%0.55621%0.209SC*.THydrogen-bonded Turntrans-84.81.5178.7-5776.6-169.200113.1V240 Y244 I268V240-E242 HydrophobicContact CG1-CB 4.39Å; V240-E242 WeakPolarHBondContact CG1-OE2 3.34Å; V240-E242 PolarHBondContact O-N 2.74Å; E242-Y244 PolarHBondContact O-N 3.04Å; E242-I268 WeakPolarHBondContact O-CD1 3.36Å; E242-I268 WeakPolarHBondContact O-CG1 3.39Å
243G97.7Very high97.9Very high0 Ų044.5 Ų44.50%021%0.209CC..SBendtrans82.4-22.8179.600000114.7V240 H241 W256 I268 S270V240-G243 PolarHBondContact O-N 3.47Å; H241-G243 VanDerWaalsContact C-N 3.29Å; G243-W256 WeakPolarHBondContact O-CB 3.43Å; G243-W256 PolarHBondContact O-N 3.01Å; G243-I268 WeakPolarHBondContact CA-O 3.28Å; G243-S270 VanDerWaalsContact C-OG 3.27Å; G243-S270 PolarHBondContact O-OG 3.05Å
244Y98.6Very high97.9Very high71 Ų7144.6 Ų44.628%0.27821%0.209SC..EExtended strand (participates in β ladder)trans-152.3155.5168.971.5-80.4000112V240 E242 F246 V253 T254 M272 P282 L284V240-Y244 WeakPolarHBondContact CG1-O 3.28Å; E242-Y244 PolarHBondContact O-N 3.04Å; Y244-F246 HydrophobicContact CD2-CD2 4.05Å; Y244-F246 AromaticContact CD2-CE2 3.82Å; Y244-F246 HydrophobicContact CD2-CE2 3.82Å; Y244-F246 AromaticContact CE2-CD2 3.87Å; Y244-F246 HydrophobicContact CE2-CD2 3.87Å; Y244-F246 AromaticContact CE2-CE2 3.59Å; Y244-F246 HydrophobicContact CE2-CE2 3.59Å; Y244-V253 HydrophobicContact CD2-CG2 4.47Å; Y244-T254 CarbonylContact C-O 3.49Å; Y244-T254 WeakPolarHBondContact CA-O 3.27Å; Y244-T254 VanDerWaalsContact CB-O 3.29Å; Y244-T254 WeakPolarHBondContact CB-O 3.5Å; Y244-M272 HydrophobicContact CD2-CE 4.39Å; Y244-P282 HydrophobicContact CD1-CB 3.78Å; Y244-P282 HydrophobicContact CD1-CG 4.43Å; Y244-P282 HydrophobicContact CE1-CB 3.56Å; Y244-P282 HydrophobicContact CE1-CG 3.74Å; Y244-P282 HydrophobicContact CE2-CB 4.38Å; Y244-P282 HydrophobicContact CE2-CG 4.18Å; Y244-P282 HydrophobicContact CG-CB 4.28Å; Y244-L284 HydrophobicContact CD1-CD2 3.9Å; Y244-L284 HydrophobicContact CE1-CD2 3.9Å
245K98.4Very high97.9Very high100 Ų10044.6 Ų44.644%0.43521%0.209SC..EExtended strand (participates in β ladder)trans-144.1127.3177.9-176.9179.2179.2-170.60111V240 M247 V253 T254V240-K245 HydrophobicContact CG1-CB 3.83Å; V240-K245 HydrophobicContact CG2-CB 3.94Å; K245-M247 HydrophobicContact CD-CG 4.33Å; K245-M247 HydrophobicContact CD-SD 4.34Å; K245-M247 HydrophobicContact CG-CG 4.23Å; K245-V253 CarbonylContact O-C 3.55Å; K245-V253 WeakPolarHBondContact O-CA 3.37Å; K245-T254 PolarHBondContact N-O 3.06Å; K245-T254 PolarHBondContact O-N 2.87Å
246F98.3Very high97.9Very high56 Ų5644.7 Ų44.725%0.24621%0.209CC..EExtended strand (participates in β ladder)trans-86.4143.4168.3-71.8-77.9000110.8Y244 E250 L252 V253 M272Y244-F246 HydrophobicContact CD2-CD2 4.05Å; Y244-F246 AromaticContact CD2-CE2 3.82Å; Y244-F246 HydrophobicContact CD2-CE2 3.82Å; Y244-F246 AromaticContact CE2-CD2 3.87Å; Y244-F246 HydrophobicContact CE2-CD2 3.87Å; Y244-F246 AromaticContact CE2-CE2 3.59Å; Y244-F246 HydrophobicContact CE2-CE2 3.59Å; F246-E250 HydrophobicContact CB-CB 4.41Å; F246-E250 HydrophobicContact CB-CG 4.15Å; F246-E250 HydrophobicContact CD1-CB 4.03Å; F246-E250 HydrophobicContact CD1-CG 4.44Å; F246-E250 HydrophobicContact CG-CB 4.39Å; F246-E250 HydrophobicContact CG-CG 4.31Å; F246-L252 CarbonylContact C-O 3.56Å; F246-L252 WeakPolarHBondContact CA-O 3.21Å; F246-V253 HydrophobicContact CD1-CB 3.61Å; F246-V253 HydrophobicContact CD1-CG2 3.76Å; F246-V253 HydrophobicContact CD2-CG2 4.44Å; F246-V253 HydrophobicContact CE1-CB 3.5Å; F246-V253 VanDerWaalsContact CE1-CB 3.5Å; F246-V253 HydrophobicContact CE1-CG1 4.25Å; F246-V253 HydrophobicContact CE1-CG2 3.56Å; F246-V253 HydrophobicContact CE2-CG2 4.28Å; F246-V253 HydrophobicContact CG-CB 4.44Å; F246-V253 HydrophobicContact CG-CG2 4.2Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.84Å; F246-M272 HydrophobicContact CE2-CE 4.46Å; F246-M272 HydrophobicContact CZ-CE 3.92Å
247M98.1Very high97.9Very high18 Ų1844.8 Ų44.89%0.08921%0.21CC..EExtended strand (participates in β ladder)trans-137.7161.6175.5-65-17769.600110.3P199 K245 E250 K251 L252P199-M247 HydrophobicContact CB-CE 4.21Å; P199-M247 HydrophobicContact CB-SD 3.94Å; P199-M247 HydrophobicContact CG-SD 3.98Å; K245-M247 HydrophobicContact CD-CG 4.33Å; K245-M247 HydrophobicContact CD-SD 4.34Å; K245-M247 HydrophobicContact CG-CG 4.23Å; M247-E250 PolarHBondContact O-N 3.2Å; M247-K251 PolarHBondContact O-N 3.02Å; M247-L252 HydrophobicContact CB-CD2 4.19Å; M247-L252 PolarHBondContact N-O 3.47Å; M247-L252 PolarHBondContact O-N 3.48Å
248F97.9Very high97.9Very high22 Ų2244.3 Ų44.310%0.09621%0.208CC..THydrogen-bonded Turntrans54.961.3169.9-45.4-41.7000113.2P199 E200 F216 A218 T221 E250 K251 L252P199-F248 HydrophobicContact CB-CE2 3.58Å; P199-F248 HydrophobicContact CB-CZ 3.94Å; E200-F248 WeakPolarHBondContact O-CZ 3.48Å; F216-F248 HydrophobicContact CD2-CE2 4.49Å; F216-F248 HydrophobicContact CE2-CE2 4.4Å; A218-F248 HydrophobicContact CB-CB 4.18Å; A218-F248 HydrophobicContact CB-CD1 3.49Å; A218-F248 VanDerWaalsContact CB-CD1 3.49Å; A218-F248 HydrophobicContact CB-CE1 4.07Å; A218-F248 HydrophobicContact CB-CG 3.96Å; T221-F248 HydrophobicContact CG2-CB 4.31Å; T221-F248 HydrophobicContact CG2-CD2 3.93Å; T221-F248 WeakPolarHBondContact OG1-CD2 3.18Å; T221-F248 WeakPolarHBondContact OG1-CE2 3.12Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.5Å; F248-K251 WeakPolarHBondContact O-CB 3.46Å; F248-K251 PolarHBondContact O-N 3.38Å; F248-L252 HydrophobicContact CD2-CB 4.16Å
249D95.9Very high97.9Very high134 Ų13442.4 Ų42.472%0.71720%0.199SC*.THydrogen-bonded Turntrans57.838.7-178.2-50.3-48.4000113.1K251D249-K251 PolarHBondContact O-N 2.9Å; D249-K251 VanDerWaalsContact O-N 3.14Å
250E97.1Very high97.9Very high112 Ų11241.4 Ų41.452%0.52319%0.194SC..THydrogen-bonded Turntrans57.421.1-177.3-49.8-170.7178.800115.7L232 F246 M247 F248 L252 R280L232-E250 WeakPolarHBondContact CD1-O 3.14Å; F246-E250 HydrophobicContact CB-CB 4.41Å; F246-E250 HydrophobicContact CB-CG 4.15Å; F246-E250 HydrophobicContact CD1-CB 4.03Å; F246-E250 HydrophobicContact CD1-CG 4.44Å; F246-E250 HydrophobicContact CG-CB 4.39Å; F246-E250 HydrophobicContact CG-CG 4.31Å; M247-E250 PolarHBondContact O-N 3.2Å; F248-E250 VanDerWaalsContact C-N 3.27Å; F248-E250 PolarHBondContact O-N 3.5Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-R280 PolarHBondContact O-NH1 3.02Å; E250-R280 PolarHBondContact O-NH2 2.8Å; E250-R280 IonicContact OE2-NH2 3.86Å; E250-R280 PolarHBondContact OE2-NH2 3.3Å
251K98.2Very high98Very high69 Ų6942.3 Ų42.330%0.320%0.196SC..THydrogen-bonded Turntrans-84.7-9.8173.4-67.6173.6-177175.40113.2T221 N222 V225 L232 I233 M247 F248 D249T221-K251 HydrophobicContact CG2-CB 4.33Å; N222-K251 WeakPolarHBondContact OD1-CD 3.23Å; N222-K251 WeakPolarHBondContact OD1-CE 3.27Å; N222-K251 PolarHBondContact OD1-NZ 3.49Å; V225-K251 HydrophobicContact CG1-CD 4.37Å; V225-K251 HydrophobicContact CG2-CB 4.42Å; L232-K251 WeakPolarHBondContact CA-O 3.46Å; I233-K251 PolarHBondContact N-O 3.47Å; M247-K251 PolarHBondContact O-N 3.02Å; F248-K251 WeakPolarHBondContact O-CB 3.46Å; F248-K251 PolarHBondContact O-N 3.38Å; D249-K251 PolarHBondContact O-N 2.9Å; D249-K251 VanDerWaalsContact O-N 3.14Å
252L98.7Very high97.8Very high0 Ų038 Ų380%018%0.179CC..EExtended strand (participates in β ladder)trans-129.2139.7169.9-176.1144.8000110.2P199 F216 T221 I233 R235 F246 M247 F248 E250P199-L252 HydrophobicContact CB-CD1 4.08Å; P199-L252 HydrophobicContact CB-CD2 4.05Å; P199-L252 HydrophobicContact CG-CD1 4.33Å; P199-L252 HydrophobicContact CG-CD2 3.81Å; F216-L252 HydrophobicContact CE2-CD1 3.5Å; F216-L252 VanDerWaalsContact CE2-CD1 3.5Å; F216-L252 HydrophobicContact CZ-CD1 3.63Å; T221-L252 HydrophobicContact CG2-CB 4.14Å; I233-L252 HydrophobicContact CG2-CD1 4.4Å; I233-L252 CarbonylContact O-C 3.08Å; I233-L252 VanDerWaalsContact O-CA 3.29Å; I233-L252 WeakPolarHBondContact O-CA 3.44Å; R235-L252 HydrophobicContact CG-CD1 4.47Å; R235-L252 HydrophobicContact CG-CD2 4.16Å; R235-L252 HydrophobicContact CG-CG 4.35Å; F246-L252 CarbonylContact C-O 3.56Å; F246-L252 WeakPolarHBondContact CA-O 3.21Å; M247-L252 HydrophobicContact CB-CD2 4.19Å; M247-L252 PolarHBondContact N-O 3.47Å; M247-L252 PolarHBondContact O-N 3.48Å; F248-L252 HydrophobicContact CD2-CB 4.16Å; E250-L252 VanDerWaalsContact C-N 3.33Å
253V98.7Very high97.5Very high0 Ų035 Ų350%016%0.162CC..EExtended strand (participates in β ladder)trans-130.6131.2169.866.70000111L232 I233 C234 R235 Y244 K245 F246 V255 M272L232-V253 HydrophobicContact CD1-CB 4.27Å; L232-V253 HydrophobicContact CD1-CG1 3.98Å; L232-V253 HydrophobicContact CD2-CG1 3.96Å; L232-V253 HydrophobicContact CG-CG1 4.22Å; I233-V253 PolarHBondContact O-N 3.48Å; C234-V253 WeakPolarHBondContact CA-O 3.3Å; C234-V253 HydrophobicContact CB-CG1 3.94Å; R235-V253 WeakPolarHBondContact CG-O 3.25Å; R235-V253 PolarHBondContact N-O 3.21Å; Y244-V253 HydrophobicContact CD2-CG2 4.47Å; K245-V253 CarbonylContact O-C 3.55Å; K245-V253 WeakPolarHBondContact O-CA 3.37Å; F246-V253 HydrophobicContact CD1-CB 3.61Å; F246-V253 HydrophobicContact CD1-CG2 3.76Å; F246-V253 HydrophobicContact CD2-CG2 4.44Å; F246-V253 HydrophobicContact CE1-CB 3.5Å; F246-V253 VanDerWaalsContact CE1-CB 3.5Å; F246-V253 HydrophobicContact CE1-CG1 4.25Å; F246-V253 HydrophobicContact CE1-CG2 3.56Å; F246-V253 HydrophobicContact CE2-CG2 4.28Å; F246-V253 HydrophobicContact CG-CB 4.44Å; F246-V253 HydrophobicContact CG-CG2 4.2Å; F246-V253 HydrophobicContact CZ-CB 4.27Å; F246-V253 HydrophobicContact CZ-CG2 3.84Å; V253-V255 HydrophobicContact CG1-CG2 4.4Å; V253-V255 HydrophobicContact CG2-CG2 4.29Å; V253-M272 HydrophobicContact CG2-CE 3.96Å
254T98.9Very high97.3Very high1 Ų144.2 Ų44.21%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-93.9128.5166.3-56.70000108.6R235 A236 Q238 V240 Y244 K245R235-T254 CarbonylContact O-C 3.52Å; R235-T254 WeakPolarHBondContact O-CA 3.38Å; A236-T254 WeakPolarHBondContact O-CG2 3.33Å; Q238-T254 HydrophobicContact CB-CG2 4.25Å; Q238-T254 WeakPolarHBondContact O-CG2 3.41Å; V240-T254 HydrophobicContact CG2-CG2 3.71Å; Y244-T254 CarbonylContact C-O 3.49Å; Y244-T254 WeakPolarHBondContact CA-O 3.27Å; Y244-T254 VanDerWaalsContact CB-O 3.29Å; Y244-T254 WeakPolarHBondContact CB-O 3.5Å; K245-T254 PolarHBondContact N-O 3.06Å; K245-T254 PolarHBondContact O-N 2.87Å
255V98.8Very high97.1Very high0 Ų042.8 Ų42.80%020%0.197CC..EExtended strand (participates in β ladder)trans-118.1130.3177.4-178.50000108.3G52 M79 R235 A236 V253 M272G52-V255 WeakPolarHBondContact CA-O 3.31Å; M79-V255 HydrophobicContact CE-CB 3.86Å; M79-V255 HydrophobicContact CE-CG2 4.34Å; R235-V255 PolarHBondContact O-N 3.35Å; A236-V255 WeakPolarHBondContact CA-O 3.44Å; V253-V255 HydrophobicContact CG1-CG2 4.4Å; V253-V255 HydrophobicContact CG2-CG2 4.29Å; V255-M272 HydrophobicContact CG2-CB 3.99Å
256W98.8Very high97Very high3 Ų340.7 Ų40.71%0.01120%0.204CC..  trans-125.1123.8-178.5-176.1-90.5000110.6D53 H55 L239 G243 A258 Y261 N267 A269 S270D53-W256 HydrophobicContact CB-CD2 4.47Å; D53-W256 HydrophobicContact CB-CE3 4.03Å; D53-W256 HydrophobicContact CB-CH2 3.86Å; D53-W256 HydrophobicContact CB-CZ2 4.3Å; D53-W256 HydrophobicContact CB-CZ3 3.73Å; D53-W256 WeakPolarHBondContact OD2-CH2 3.26Å; D53-W256 WeakPolarHBondContact OD2-CZ3 3.35Å; H55-W256 AromaticContact CD2-CH2 3.99Å; L239-W256 HydrophobicContact CB-CE3 4.49Å; L239-W256 HydrophobicContact CB-CH2 4.39Å; L239-W256 HydrophobicContact CB-CZ2 4.44Å; L239-W256 HydrophobicContact CB-CZ3 4.39Å; L239-W256 HydrophobicContact CD1-CD2 3.93Å; L239-W256 VanDerWaalsContact CD1-CE2 3.41Å; L239-W256 HydrophobicContact CD1-CG 4.23Å; L239-W256 HydrophobicContact CD1-CZ2 3.76Å; G243-W256 WeakPolarHBondContact O-CB 3.43Å; G243-W256 PolarHBondContact O-N 3.01Å; W256-A258 HydrophobicContact CZ2-CB 4.09Å; W256-A258 PolarHBondContact NE1-O 3.49Å; W256-Y261 HydrophobicContact CH2-CD1 4.43Å; W256-Y261 HydrophobicContact CH2-CD2 4.46Å; W256-Y261 HydrophobicContact CH2-CE1 4.31Å; W256-Y261 HydrophobicContact CH2-CE2 4.34Å; W256-Y261 HydrophobicContact CH2-CG 4.47Å; W256-Y261 AromaticContact CZ2-CD1 3.95Å; W256-Y261 HydrophobicContact CZ2-CD1 3.95Å; W256-Y261 AromaticContact CZ2-CD2 3.72Å; W256-Y261 HydrophobicContact CZ2-CD2 3.72Å; W256-Y261 HydrophobicContact CZ2-CE1 4.24Å; W256-Y261 HydrophobicContact CZ2-CE2 4.04Å; W256-Y261 AromaticContact CZ2-CG 3.64Å; W256-Y261 HydrophobicContact CZ2-CG 3.64Å; W256-N267 VanDerWaalsContact CD1-ND2 3.31Å; W256-N267 PolarHBondContact NE1-ND2 2.89Å; W256-A269 CarbonylContact O-C 3.15Å; W256-A269 WeakPolarHBondContact O-CA 3.26Å; W256-S270 PolarHBondContact O-N 3.36Å
257S98.8Very high97Very high2 Ų238.3 Ų38.31%0.01419%0.194CC..  trans-114.58.7-169.8-61.30000114.8G52 D53 P259 S270 F285G52-S257 PolarHBondContact N-OG 2.82Å; D53-S257 CarbonylContact O-C 3.47Å; D53-S257 WeakPolarHBondContact O-CA 3.34Å; D53-S257 WeakPolarHBondContact O-CB 3.49Å; D53-S257 PolarHBondContact O-N 3.45Å; S257-P259 WeakPolarHBondContact O-CD 3.4Å; S257-S270 PolarHBondContact OG-O 3.05Å; S257-F285 WeakPolarHBondContact O-CZ 3.35Å
258A98.4Very high97Very high1 Ų139.1 Ų39.11%0.00820%0.198CC..  trans-109.493.7177.400000111.8D53 W256 Y261 N267D53-A258 PolarHBondContact O-N 3.3Å; W256-A258 HydrophobicContact CZ2-CB 4.09Å; W256-A258 PolarHBondContact NE1-O 3.49Å; A258-Y261 HydrophobicContact CB-CD2 4.21Å; A258-N267 PolarHBondContact O-ND2 2.94Å
259P98.3Very high97Very high0 Ų038 Ų380%019%0.194CC..THydrogen-bonded Turntrans-73.5151.2-176.531.6-35.8000111.5Q57 D60 S257 Y261 A269 F285 A287Q57-P259 PolarHBondContact NE2-O 2.99Å; D60-P259 HydrophobicContact CB-CG 3.81Å; S257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-Y261 PolarHBondContact O-N 3.32Å; P259-A269 HydrophobicContact CB-CB 3.66Å; P259-A269 HydrophobicContact CG-CB 3.98Å; P259-F285 HydrophobicContact CG-CD2 4.22Å; P259-F285 HydrophobicContact CG-CE2 3.95Å; P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 VanDerWaalsContact CB-N 3.34Å; P259-A287 HydrophobicContact CG-CB 4.05Å
260N97.3Very high97.2Very high41 Ų4131.7 Ų31.722%0.21916%0.16CC..THydrogen-bonded Turntrans42.454.4-172.6-173.330.8000111.6C262 Y263 R264 C265 G266 N267 A287N260-C262 PolarHBondContact O-N 3.25Å; N260-Y263 WeakPolarHBondContact O-CA 3.48Å; N260-Y263 PolarHBondContact O-N 3.05Å; N260-R264 PolarHBondContact OD1-N 2.94Å; N260-C265 PolarHBondContact OD1-N 3.12Å; N260-G266 WeakPolarHBondContact OD1-CA 3.45Å; N260-G266 PolarHBondContact OD1-N 2.88Å; N260-N267 PolarHBondContact N-O 3.16Å; N260-N267 PolarHBondContact N-OD1 3.2Å; N260-A287 HydrophobicContact CB-CB 3.66Å
261Y96.8Very high97.2Very high30 Ų3026.3 Ų26.312%0.11814%0.135CC..G310 helixtrans-51.6139.6-169.8176.1-125.7000112.5H55 R85 L239 W256 A258 P259 Y263 R264 C265 N267H55-Y261 HydrophobicContact CB-CD2 4.47Å; H55-Y261 HydrophobicContact CB-CE2 3.78Å; H55-Y261 AromaticContact CD2-CE2 3.18Å; H55-Y261 WeakPolarHBondContact CD2-CE2 3.27Å; H55-Y261 AromaticContact CD2-CZ 3.6Å; H55-Y261 PolarHBondContact CD2-OH 2.92Å; H55-Y261 AromaticContact CG-CE2 3.64Å; H55-Y261 AromaticContact NE2-CE2 3.86Å; H55-Y261 AromaticContact NE2-CZ 3.78Å; H55-Y261 PolarHBondContact NE2-OH 3.24Å; H55-Y261 VanDerWaalsContact NE2-OH 3.09Å; R85-Y261 HydrophobicContact CB-CE2 4.13Å; R85-Y261 HydrophobicContact CG-CE2 4.33Å; R85-Y261 WeakPolarHBondContact CG-OH 3.44Å; L239-Y261 HydrophobicContact CD2-CD1 4.49Å; W256-Y261 HydrophobicContact CH2-CD1 4.43Å; W256-Y261 HydrophobicContact CH2-CD2 4.46Å; W256-Y261 HydrophobicContact CH2-CE1 4.31Å; W256-Y261 HydrophobicContact CH2-CE2 4.34Å; W256-Y261 HydrophobicContact CH2-CG 4.47Å; W256-Y261 AromaticContact CZ2-CD1 3.95Å; W256-Y261 HydrophobicContact CZ2-CD1 3.95Å; W256-Y261 AromaticContact CZ2-CD2 3.72Å; W256-Y261 HydrophobicContact CZ2-CD2 3.72Å; W256-Y261 HydrophobicContact CZ2-CE1 4.24Å; W256-Y261 HydrophobicContact CZ2-CE2 4.04Å; W256-Y261 AromaticContact CZ2-CG 3.64Å; W256-Y261 HydrophobicContact CZ2-CG 3.64Å; A258-Y261 HydrophobicContact CB-CD2 4.21Å; P259-Y261 PolarHBondContact O-N 3.32Å; Y261-Y263 PolarHBondContact O-N 2.72Å; Y261-R264 PolarHBondContact O-N 3.45Å; Y261-R264 VanDerWaalsContact O-N 3.08Å; Y261-C265 WeakPolarHBondContact O-CB 3.41Å; Y261-C265 PolarHBondContact O-N 3.2Å; Y261-C265 PolarHBondContact O-SG 3.31Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.32Å; Y261-N267 PolarHBondContact N-OD1 3.06Å
262C92.6Very high97.3Very high20 Ų2023 Ų2314%0.13512%0.12CC..G310 helixtrans53.225.2-173.6-62.60000113.4N260 R264N260-C262 PolarHBondContact O-N 3.25Å; C262-R264 HydrophobicContact CB-CG 4.11Å; C262-R264 PolarHBondContact O-N 3.23Å
263Y92.2Very high97.3Very high54 Ų5423.9 Ų23.921%0.21213%0.125CC..G310 helixtrans59.620-176.2-41.7-68.9000114.8Q57 Y87 N260 Y261 F304Q57-Y263 HydrophobicContact CG-CE1 4.37Å; Y87-Y263 HydrophobicContact CD1-CE2 4.42Å; Y87-Y263 HydrophobicContact CD2-CD2 4.44Å; Y87-Y263 HydrophobicContact CD2-CE1 4.45Å; Y87-Y263 AromaticContact CD2-CE2 3.45Å; Y87-Y263 HydrophobicContact CD2-CE2 3.45Å; Y87-Y263 VanDerWaalsContact CD2-CE2 3.45Å; Y87-Y263 AromaticContact CD2-CZ 3.45Å; Y87-Y263 VanDerWaalsContact CD2-CZ 3.45Å; Y87-Y263 WeakPolarHBondContact CD2-OH 3.1Å; Y87-Y263 HydrophobicContact CE1-CE2 4.24Å; Y87-Y263 AromaticContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CD2 3.75Å; Y87-Y263 HydrophobicContact CE2-CE1 4.45Å; Y87-Y263 AromaticContact CE2-CE2 3.16Å; Y87-Y263 HydrophobicContact CE2-CE2 3.16Å; Y87-Y263 AromaticContact CE2-CZ 3.58Å; Y87-Y263 HydrophobicContact CG-CE2 4.07Å; Y87-Y263 AromaticContact CZ-CE2 3.6Å; Y87-Y263 PolarHBondContact N-OH 3.47Å; N260-Y263 WeakPolarHBondContact O-CA 3.48Å; N260-Y263 PolarHBondContact O-N 3.05Å; Y261-Y263 PolarHBondContact O-N 2.72Å; Y263-F304 AromaticContact CD2-CE1 3.72Å; Y263-F304 HydrophobicContact CD2-CE1 3.72Å; Y263-F304 HydrophobicContact CD2-CZ 4.14Å; Y263-F304 AromaticContact CE2-CE1 3.63Å; Y263-F304 HydrophobicContact CE2-CE1 3.63Å; Y263-F304 AromaticContact CE2-CZ 3.54Å; Y263-F304 HydrophobicContact CE2-CZ 3.54Å
264R93.1Very high97.3Very high194 Ų19423.9 Ų23.973%0.73213%0.125SC*.THydrogen-bonded Turntrans-143.9-21.6-172.769-171.7-174-176.80.7116.2N260 Y261 C262 G266N260-R264 PolarHBondContact OD1-N 2.94Å; Y261-R264 PolarHBondContact O-N 3.45Å; Y261-R264 VanDerWaalsContact O-N 3.08Å; C262-R264 HydrophobicContact CB-CG 4.11Å; C262-R264 PolarHBondContact O-N 3.23Å; R264-G266 VanDerWaalsContact C-N 3.34Å; R264-G266 PolarHBondContact O-N 2.53Å
265C94.3Very high97.2Very high41 Ų4129.2 Ų29.228%0.27715%0.148SC..SBendtrans-75.4-19.6-172.4-70.20000114.1L239 N260 Y261 N267L239-C265 HydrophobicContact CD2-CB 4.04Å; N260-C265 PolarHBondContact OD1-N 3.12Å; Y261-C265 WeakPolarHBondContact O-CB 3.41Å; Y261-C265 PolarHBondContact O-N 3.2Å; Y261-C265 PolarHBondContact O-SG 3.31Å; Y261-C265 VanDerWaalsContact O-SG 3.34Å; C265-N267 WeakPolarHBondContact CB-OD1 3.49Å; C265-N267 PolarHBondContact O-N 3.25Å; C265-N267 VanDerWaalsContact O-N 3.1Å
266G96.2Very high97.1Very high57 Ų5731.9 Ų31.959%0.58816%0.163SC*.  trans684.9176.600000116.1N260 R264N260-G266 WeakPolarHBondContact OD1-CA 3.45Å; N260-G266 PolarHBondContact OD1-N 2.88Å; R264-G266 VanDerWaalsContact C-N 3.34Å; R264-G266 PolarHBondContact O-N 2.53Å
267N98.3Very high96.9Very high6 Ų633.2 Ų33.23%0.03217%0.171CC..  trans-66.8157.7175.465.5-73000112.1L239 H241 W256 A258 N260 Y261 C265L239-N267 HydrophobicContact CD1-CB 4.01Å; H241-N267 WeakPolarHBondContact O-CA 3.12Å; W256-N267 VanDerWaalsContact CD1-ND2 3.31Å; W256-N267 PolarHBondContact NE1-ND2 2.89Å; A258-N267 PolarHBondContact O-ND2 2.94Å; N260-N267 PolarHBondContact N-O 3.16Å; N260-N267 PolarHBondContact N-OD1 3.2Å; Y261-N267 WeakPolarHBondContact CB-OD1 3.32Å; Y261-N267 PolarHBondContact N-OD1 3.06Å; C265-N267 WeakPolarHBondContact CB-OD1 3.49Å; C265-N267 PolarHBondContact O-N 3.25Å; C265-N267 VanDerWaalsContact O-N 3.1Å
268I97.8Very high96.7Very high34 Ų3438.7 Ų38.717%0.17420%0.2CC..  trans-89.2169.6162.865.3174.1000110H241 E242 G243 L284 R286H241-I268 WeakPolarHBondContact O-CG1 3.26Å; H241-I268 PolarHBondContact O-N 2.98Å; E242-I268 WeakPolarHBondContact O-CD1 3.36Å; E242-I268 WeakPolarHBondContact O-CG1 3.39Å; G243-I268 WeakPolarHBondContact CA-O 3.28Å; I268-L284 HydrophobicContact CD1-CB 4.46Å; I268-L284 HydrophobicContact CD1-CD1 3.9Å; I268-L284 HydrophobicContact CD1-CD2 4.08Å; I268-L284 HydrophobicContact CD1-CG 4.37Å; I268-R286 HydrophobicContact CG2-CG 4.19Å
269A98.6Very high96.6Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-118.7161.6175.400000111W256 P259 L284 F285W256-A269 CarbonylContact O-C 3.15Å; W256-A269 WeakPolarHBondContact O-CA 3.26Å; P259-A269 HydrophobicContact CB-CB 3.66Å; P259-A269 HydrophobicContact CG-CB 3.98Å; A269-L284 WeakPolarHBondContact O-CA 3.42Å; A269-F285 HydrophobicContact CB-CD1 4.13Å; A269-F285 HydrophobicContact CB-CD2 4.14Å; A269-F285 HydrophobicContact CB-CE1 3.65Å; A269-F285 HydrophobicContact CB-CE2 3.68Å; A269-F285 HydrophobicContact CB-CG 4.35Å; A269-F285 HydrophobicContact CB-CZ 3.42Å; A269-F285 VanDerWaalsContact CB-CZ 3.42Å; A269-F285 PolarHBondContact N-O 3.3Å; A269-F285 PolarHBondContact O-N 3.29Å
270S98.8Very high96.5Very high0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-140.5163.7174.880.20000112.4G243 W256 S257 K283G243-S270 VanDerWaalsContact C-OG 3.27Å; G243-S270 PolarHBondContact O-OG 3.05Å; W256-S270 PolarHBondContact O-N 3.36Å; S257-S270 PolarHBondContact OG-O 3.05Å; S270-K283 CarbonylContact C-O 3.59Å; S270-K283 WeakPolarHBondContact CA-O 3.26Å
271I98.8Very high96.5Very high0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-128.7147.716154.8-171000108T49 C51 L64 T67 P282 K283 F285T49-I271 HydrophobicContact CG2-CB 3.79Å; T49-I271 HydrophobicContact CG2-CD1 3.87Å; T49-I271 HydrophobicContact CG2-CG1 4.04Å; T49-I271 HydrophobicContact CG2-CG2 4.42Å; C51-I271 HydrophobicContact CB-CG2 4.32Å; L64-I271 HydrophobicContact CD1-CG2 3.71Å; L64-I271 HydrophobicContact CD2-CG2 4.18Å; L64-I271 HydrophobicContact CG-CG2 3.6Å; T67-I271 HydrophobicContact CG2-CD1 4.1Å; I271-P282 WeakPolarHBondContact O-CA 3.45Å; I271-K283 HydrophobicContact CD1-CB 4.28Å; I271-K283 HydrophobicContact CD1-CD 4.42Å; I271-K283 HydrophobicContact CG1-CB 3.8Å; I271-K283 PolarHBondContact N-O 2.65Å; I271-K283 PolarHBondContact O-N 2.66Å; I271-F285 HydrophobicContact CG2-CE1 4.19Å
272M98.8Very high96.6Very high0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-104.4113.8179.3-172.964.866.200110.1V50 Y244 F246 V253 V255 F274 R280 P282V50-M272 HydrophobicContact CB-CB 4.41Å; V50-M272 PolarHBondContact N-O 3.34Å; V50-M272 PolarHBondContact O-N 3.35Å; Y244-M272 HydrophobicContact CD2-CE 4.39Å; F246-M272 HydrophobicContact CE2-CE 4.46Å; F246-M272 HydrophobicContact CZ-CE 3.92Å; V253-M272 HydrophobicContact CG2-CE 3.96Å; V255-M272 HydrophobicContact CG2-CB 3.99Å; M272-F274 HydrophobicContact CB-CE2 4.01Å; M272-F274 HydrophobicContact CG-CD2 4.11Å; M272-F274 HydrophobicContact CG-CE1 4.28Å; M272-F274 HydrophobicContact CG-CE2 3.37Å; M272-F274 HydrophobicContact CG-CZ 3.47Å; M272-F274 VanDerWaalsContact CG-CZ 3.47Å; M272-R280 HydrophobicContact SD-CB 4Å; M272-R280 HydrophobicContact SD-CG 4.36Å; M272-P282 HydrophobicContact CE-CB 4.05Å; M272-P282 HydrophobicContact SD-CB 4.3Å
273V98.7Very high96.8Very high17 Ų1749.4 Ų49.410%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-92.9121.1178.9-177.40000109.5T49 R280 E281 K283T49-V273 HydrophobicContact CG2-CG2 4.2Å; V273-R280 CarbonylContact O-C 3.5Å; V273-R280 VanDerWaalsContact O-CA 3.3Å; V273-R280 WeakPolarHBondContact O-CA 3.41Å; V273-E281 WeakPolarHBondContact CB-O 3.32Å; V273-E281 PolarHBondContact N-O 3.41Å; V273-E281 PolarHBondContact O-N 2.91Å; V273-K283 HydrophobicContact CG2-CD 3.82Å; V273-K283 HydrophobicContact CG2-CG 4.07Å
274F98.6Very high97.1Very high1 Ų151.2 Ų51.20%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-102.7115.4171.5-65.8-85000109.4T46 P47 V48 V50 I155 I159 L232 M272 R280T46-F274 HydrophobicContact CG2-CB 3.92Å; P47-F274 CarbonylContact C-O 3.51Å; P47-F274 VanDerWaalsContact CA-O 3.26Å; P47-F274 WeakPolarHBondContact CA-O 3.44Å; V48-F274 HydrophobicContact CG1-CB 4.25Å; V48-F274 PolarHBondContact N-O 3.49Å; V48-F274 PolarHBondContact O-N 3.28Å; V50-F274 HydrophobicContact CB-CE2 4.2Å; V50-F274 HydrophobicContact CG2-CD2 3.77Å; V50-F274 HydrophobicContact CG2-CE2 3.65Å; I155-F274 HydrophobicContact CD1-CD2 4.04Å; I155-F274 HydrophobicContact CD1-CE2 4.3Å; I159-F274 HydrophobicContact CD1-CD1 3.51Å; I159-F274 HydrophobicContact CD1-CE1 3.47Å; I159-F274 VanDerWaalsContact CD1-CE1 3.47Å; I159-F274 HydrophobicContact CD1-CG 4.31Å; I159-F274 HydrophobicContact CD1-CZ 4.23Å; I159-F274 HydrophobicContact CG2-CZ 4.34Å; L232-F274 HydrophobicContact CD2-CE1 3.82Å; L232-F274 HydrophobicContact CD2-CZ 3.73Å; M272-F274 HydrophobicContact CB-CE2 4.01Å; M272-F274 HydrophobicContact CG-CD2 4.11Å; M272-F274 HydrophobicContact CG-CE1 4.28Å; M272-F274 HydrophobicContact CG-CE2 3.37Å; M272-F274 HydrophobicContact CG-CZ 3.47Å; M272-F274 VanDerWaalsContact CG-CZ 3.47Å; F274-R280 HydrophobicContact CD1-CB 3.69Å; F274-R280 HydrophobicContact CE1-CB 3.54Å; F274-R280 HydrophobicContact CE1-CG 4.47Å; F274-R280 HydrophobicContact CZ-CB 4.35Å
275K97.8Very high97.4Very high112 Ų11242.5 Ų42.549%0.48723%0.232SC..SBendtrans-83.3-34171.4-66.4174-172.5154.50110.9T46 T279 E281T46-K275 WeakPolarHBondContact CB-O 3.46Å; K275-T279 HydrophobicContact CB-CG2 4.12Å; K275-T279 HydrophobicContact CD-CG2 4.02Å; K275-T279 HydrophobicContact CG-CG2 4.48Å; K275-T279 PolarHBondContact N-O 2.77Å; K275-E281 IonicContact NZ-OE2 3.67Å; K275-E281 PolarHBondContact NZ-OE2 3.16Å
276D96.9Very high97.6Very high57 Ų5749.3 Ų49.331%0.30525%0.252SS..SBendtrans-158.2-179.9172.462.767.9000108.7N278 T279D276-N278 PolarHBondContact O-N 2.87Å; D276-N278 VanDerWaalsContact O-N 3.15Å; D276-N278 WeakPolarHBondContact OD1-CA 3.4Å; D276-N278 WeakPolarHBondContact OD1-CB 3.25Å; D276-N278 PolarHBondContact OD1-N 2.85Å; D276-T279 PolarHBondContact O-N 2.88Å; D276-T279 PolarHBondContact OD1-N 3.45Å; D276-T279 PolarHBondContact OD1-OG1 3.4Å; D276-T279 VanDerWaalsContact OD2-CB 3.28Å; D276-T279 WeakPolarHBondContact OD2-CB 3.49Å; D276-T279 PolarHBondContact OD2-OG1 3.34Å
277V94Very high97.7Very high30 Ų3048 Ų4818%0.18224%0.236CC..SBendtrans-61.6-18.1-179-65.20000115.7D156 Q158D156-V277 HydrophobicContact CB-CG1 3.36Å; Q158-V277 HydrophobicContact CB-CB 4.42Å; Q158-V277 HydrophobicContact CB-CG1 4.02Å; Q158-V277 HydrophobicContact CG-CG1 4.49Å
278N95.2Very high97.6Very high117 Ų11748.3 Ų48.363%0.62624%0.237SC*.SBendtrans-108.3-22.6179.9-52.9-60.1000112.4K231 D276K231-N278 PolarHBondContact NZ-OD1 3.13Å; D276-N278 PolarHBondContact O-N 2.87Å; D276-N278 VanDerWaalsContact O-N 3.15Å; D276-N278 WeakPolarHBondContact OD1-CA 3.4Å; D276-N278 WeakPolarHBondContact OD1-CB 3.25Å; D276-N278 PolarHBondContact OD1-N 2.85Å
279T96.8Very high97.4Very high60 Ų6049.7 Ų49.737%0.36825%0.249SC..  trans-106.2100.5-174.5-50.20000110.6K275 D276K275-T279 HydrophobicContact CB-CG2 4.12Å; K275-T279 HydrophobicContact CD-CG2 4.02Å; K275-T279 HydrophobicContact CG-CG2 4.48Å; K275-T279 PolarHBondContact N-O 2.77Å; D276-T279 PolarHBondContact O-N 2.88Å; D276-T279 PolarHBondContact OD1-N 3.45Å; D276-T279 PolarHBondContact OD1-OG1 3.4Å; D276-T279 VanDerWaalsContact OD2-CB 3.28Å; D276-T279 WeakPolarHBondContact OD2-CB 3.49Å; D276-T279 PolarHBondContact OD2-OG1 3.34Å
280R95.4Very high97Very high72 Ų7254.4 Ų54.427%0.27227%0.274SS..EExtended strand (participates in β ladder)trans-118.3141.2176.267.6-173.1175.4-156-1111.7E250 M272 V273 F274E250-R280 PolarHBondContact O-NH1 3.02Å; E250-R280 PolarHBondContact O-NH2 2.8Å; E250-R280 IonicContact OE2-NH2 3.86Å; E250-R280 PolarHBondContact OE2-NH2 3.3Å; M272-R280 HydrophobicContact SD-CB 4Å; M272-R280 HydrophobicContact SD-CG 4.36Å; V273-R280 CarbonylContact O-C 3.5Å; V273-R280 VanDerWaalsContact O-CA 3.3Å; V273-R280 WeakPolarHBondContact O-CA 3.41Å; F274-R280 HydrophobicContact CD1-CB 3.69Å; F274-R280 HydrophobicContact CE1-CB 3.54Å; F274-R280 HydrophobicContact CE1-CG 4.47Å; F274-R280 HydrophobicContact CZ-CB 4.35Å
281E97.2Very high96.7Very high81 Ų8159.7 Ų59.738%0.37931%0.311SS..EExtended strand (participates in β ladder)trans-139.3115.2-177.8-174.9-177.2161.900110.2V273 K275V273-E281 WeakPolarHBondContact CB-O 3.32Å; V273-E281 PolarHBondContact N-O 3.41Å; V273-E281 PolarHBondContact O-N 2.91Å; K275-E281 IonicContact NZ-OE2 3.67Å; K275-E281 PolarHBondContact NZ-OE2 3.16Å
282P97.9Very high96.3Very high42 Ų4265.4 Ų65.427%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-74.9129.9172.129.8-31.4000110Y244 I271 M272Y244-P282 HydrophobicContact CD1-CB 3.78Å; Y244-P282 HydrophobicContact CD1-CG 4.43Å; Y244-P282 HydrophobicContact CE1-CB 3.56Å; Y244-P282 HydrophobicContact CE1-CG 3.74Å; Y244-P282 HydrophobicContact CE2-CB 4.38Å; Y244-P282 HydrophobicContact CE2-CG 4.18Å; Y244-P282 HydrophobicContact CG-CB 4.28Å; I271-P282 WeakPolarHBondContact O-CA 3.45Å; M272-P282 HydrophobicContact CE-CB 4.05Å; M272-P282 HydrophobicContact SD-CB 4.3Å
283K98.6Very high95.9Very high63 Ų6366.6 Ų66.627%0.27434%0.342SS..EExtended strand (participates in β ladder)trans-107.2123.3168.6-66.6-178.3172-179.20109.4T67 S270 I271 V273T67-K283 HydrophobicContact CG2-CB 3.79Å; T67-K283 HydrophobicContact CG2-CD 4.22Å; T67-K283 WeakPolarHBondContact O-CD 3.48Å; T67-K283 PolarHBondContact O-NZ 2.85Å; S270-K283 CarbonylContact C-O 3.59Å; S270-K283 WeakPolarHBondContact CA-O 3.26Å; I271-K283 HydrophobicContact CD1-CB 4.28Å; I271-K283 HydrophobicContact CD1-CD 4.42Å; I271-K283 HydrophobicContact CG1-CB 3.8Å; I271-K283 PolarHBondContact N-O 2.65Å; I271-K283 PolarHBondContact O-N 2.66Å; V273-K283 HydrophobicContact CG2-CD 3.82Å; V273-K283 HydrophobicContact CG2-CG 4.07Å
284L98.6Very high95.5Very high91 Ų9170.2 Ų70.248%0.47636%0.364SS..EExtended strand (participates in β ladder)trans-96.3144.8-177.1-58.8177.4000111.2Y244 I268 A269Y244-L284 HydrophobicContact CD1-CD2 3.9Å; Y244-L284 HydrophobicContact CE1-CD2 3.9Å; I268-L284 HydrophobicContact CD1-CB 4.46Å; I268-L284 HydrophobicContact CD1-CD1 3.9Å; I268-L284 HydrophobicContact CD1-CD2 4.08Å; I268-L284 HydrophobicContact CD1-CG 4.37Å; A269-L284 WeakPolarHBondContact O-CA 3.42Å
285F98.6Very high94.9Very high11 Ų1174.6 Ų74.65%0.04839%0.386CS..EExtended strand (participates in β ladder)trans-145.6160.1172.664.1-78.9000111.3E63 L64 T67 S257 P259 A269 I271E63-F285 HydrophobicContact CB-CD2 4.34Å; E63-F285 HydrophobicContact CG-CB 4.36Å; E63-F285 HydrophobicContact CG-CD2 4.04Å; L64-F285 HydrophobicContact CB-CE1 4.4Å; L64-F285 HydrophobicContact CB-CE2 4.26Å; L64-F285 HydrophobicContact CB-CZ 3.9Å; L64-F285 HydrophobicContact CD1-CZ 4.2Å; L64-F285 HydrophobicContact CG-CE1 4.46Å; L64-F285 HydrophobicContact CG-CZ 4.26Å; T67-F285 HydrophobicContact CG2-CB 4.46Å; S257-F285 WeakPolarHBondContact O-CZ 3.35Å; P259-F285 HydrophobicContact CG-CD2 4.22Å; P259-F285 HydrophobicContact CG-CE2 3.95Å; A269-F285 HydrophobicContact CB-CD1 4.13Å; A269-F285 HydrophobicContact CB-CD2 4.14Å; A269-F285 HydrophobicContact CB-CE1 3.65Å; A269-F285 HydrophobicContact CB-CE2 3.68Å; A269-F285 HydrophobicContact CB-CG 4.35Å; A269-F285 HydrophobicContact CB-CZ 3.42Å; A269-F285 VanDerWaalsContact CB-CZ 3.42Å; A269-F285 PolarHBondContact N-O 3.3Å; A269-F285 PolarHBondContact O-N 3.29Å; I271-F285 HydrophobicContact CG2-CE1 4.19Å
286R98.1Very high94.3Very high185 Ų18570.2 Ų70.270%0.69837%0.369SS*.  trans-109.2164.9-178.4-68-176.7176.3-85.8-1.6110.3I268 V288I268-R286 HydrophobicContact CG2-CG 4.19Å; R286-V288 PolarHBondContact O-N 2.78Å
287A97.4Very high93.4Very high30 Ų3071.5 Ų71.525%0.24838%0.381CS..PPolyproline II helixtrans-60.3133.4174.700000110P259 N260P259-A287 HydrophobicContact CB-CB 4Å; P259-A287 VanDerWaalsContact CB-N 3.34Å; P259-A287 HydrophobicContact CG-CB 4.05Å; N260-A287 HydrophobicContact CB-CB 3.66Å
288V96.8Very high92.3Very high11 Ų1181.1 Ų81.17%0.06741%0.414CS..PPolyproline II helixtrans-55.5135.4169.4175.50000108.7Y59 D60 E63 R286 E292 R293Y59-V288 WeakPolarHBondContact O-CG2 3.25Å; D60-V288 WeakPolarHBondContact OD1-CG2 3.49Å; D60-V288 PolarHBondContact OD1-N 3.36Å; E63-V288 HydrophobicContact CB-CG2 3.85Å; E63-V288 HydrophobicContact CG-CG2 4.39Å; R286-V288 PolarHBondContact O-N 2.78Å; V288-E292 HydrophobicContact CG1-CB 3.7Å; V288-R293 HydrophobicContact CB-CG 4.49Å; V288-R293 HydrophobicContact CG1-CG 4.06Å; V288-R293 PolarHBondContact O-NE 2.92Å; V288-R293 PolarHBondContact O-NH1 3.36Å; V288-R293 PolarHBondContact O-NH2 2.9Å
289P94.3Very high90.8Very high64 Ų6481.6 Ų81.642%0.41642%0.421SS..PPolyproline II helixtrans-61.3148.2179.3-24.535000112.7S291 E292 R293P289-S291 PolarHBondContact O-N 3.13Å; P289-S291 VanDerWaalsContact O-N 3.11Å; P289-E292 PolarHBondContact O-N 3.28Å; P289-R293 WeakPolarHBondContact O-CG 3.29Å
290D90.4Very high89Confident98 Ų9880.9 Ų80.952%0.52442%0.417SS..G310 helixtrans-59.4-25.9178.2-71.5-13.1000113.3E292 R293 I295D290-E292 PolarHBondContact O-N 3.49Å; D290-R293 PolarHBondContact O-N 3.48Å; D290-R293 IonicContact OD1-NH1 3.73Å; D290-R293 PolarHBondContact OD1-NH1 3.42Å; D290-I295 HydrophobicContact CB-CD1 4.37Å
291S91.9Very high87.4Confident111 Ų11178 Ų7878%0.77641%0.407SS*.G310 helixtrans-65.7-19.9174.153.30000114.2P289P289-S291 PolarHBondContact O-N 3.13Å; P289-S291 VanDerWaalsContact O-N 3.11Å
292E90.6Very high85.6Confident120 Ų12077.4 Ų77.456%0.56141%0.411SS*.G310 helixtrans-104.76.7179.9-65.6178.8-121.200112V288 P289 D290V288-E292 HydrophobicContact CG1-CB 3.7Å; P289-E292 PolarHBondContact O-N 3.28Å; D290-E292 PolarHBondContact O-N 3.49Å
293R90.7Very high84.1Confident26 Ų2677.2 Ų77.210%0.09841%0.405CS..SBendtrans-115.2146.6-178.8-64.1173.1171.5178-5110.1Y59 D60 V288 P289 D290Y59-R293 HydrophobicContact CD1-CG 4.38Å; Y59-R293 HydrophobicContact CD2-CB 4.13Å; Y59-R293 HydrophobicContact CD2-CG 3.89Å; Y59-R293 HydrophobicContact CE2-CB 4.23Å; Y59-R293 HydrophobicContact CE2-CG 4.48Å; Y59-R293 HydrophobicContact CG-CB 4.42Å; Y59-R293 HydrophobicContact CG-CG 3.85Å; D60-R293 IonicContact OD1-CZ 2.64Å; D60-R293 IonicContact OD1-NH2 3.78Å; D60-R293 PolarHBondContact OD1-NH2 3.03Å; D60-R293 IonicContact OD2-CZ 3.72Å; D60-R293 IonicContact OD2-NH2 3.83Å; D60-R293 PolarHBondContact OD2-NH2 2.97Å; V288-R293 HydrophobicContact CB-CG 4.49Å; V288-R293 HydrophobicContact CG1-CG 4.06Å; V288-R293 PolarHBondContact O-NE 2.92Å; V288-R293 PolarHBondContact O-NH1 3.36Å; V288-R293 PolarHBondContact O-NH2 2.9Å; P289-R293 WeakPolarHBondContact O-CG 3.29Å; D290-R293 PolarHBondContact O-N 3.48Å; D290-R293 IonicContact OD1-NH1 3.73Å; D290-R293 PolarHBondContact OD1-NH1 3.42Å
294V89.8Confident82Confident92 Ų9277.1 Ų77.156%0.55840%0.404SS*.  trans-83.6130.4158.7-177.50000107Y59 Y88Y59-V294 VanDerWaalsContact OH-CB 3.3Å; Y59-V294 WeakPolarHBondContact OH-CB 3.1Å; Y59-V294 WeakPolarHBondContact OH-CG2 3.24Å; Y59-V294 PolarHBondContact OH-N 3.46Å; Y88-V294 WeakPolarHBondContact CE2-O 3.46Å; Y88-V294 PolarHBondContact OH-O 2.94Å
295I86.6Confident79.3Confident94 Ų9483.2 Ų83.248%0.48244%0.436SS..  trans-106118.5172.2-59.3175.7000106.5Y87 D290Y87-I295 HydrophobicContact CE2-CG2 4.29Å; D290-I295 HydrophobicContact CB-CD1 4.37Å
296P84.3Confident78.4Confident20 Ų2086.9 Ų86.913%0.1346%0.456CS..  trans-67.1153.2179.129.1-34.3000110.9Y87 T301Y87-P296 HydrophobicContact CD1-CG 3.75Å; Y87-P296 HydrophobicContact CD2-CG 4.06Å; Y87-P296 HydrophobicContact CE1-CG 4.33Å; Y87-P296 HydrophobicContact CG-CG 3.6Å; P296-T301 HydrophobicContact CB-CG2 4.3Å; P296-T301 HydrophobicContact CG-CG2 3.76Å
297P77.8Confident77.3Confident84 Ų8481.7 Ų81.755%0.54544%0.443SS..  trans-57.5144.2173.1-21.232.2000111.3T299 T300P297-T299 PolarHBondContact O-N 3.19Å; P297-T300 VanDerWaalsContact O-CB 3.27Å; P297-T300 WeakPolarHBondContact O-CB 3.05Å; P297-T300 PolarHBondContact O-N 3.24Å; P297-T300 PolarHBondContact O-OG1 3.21Å
298R70.5Confident76.2Confident231 Ų23184.6 Ų84.687%0.87245%0.454SS*.G310 helixtrans-56-28.8-179.9-73-174.2175.4-175.2-2114.2T300 T301R298-T300 PolarHBondContact O-N 2.84Å; R298-T301 CarbonylContact O-C 3.44Å; R298-T301 PolarHBondContact O-N 2.85Å
299T64.3Low75Confident127 Ų12788.9 Ų88.978%0.77948%0.477SS*.G310 helixtrans-64.2-22.1175.949.30000113.3P297P297-T299 PolarHBondContact O-N 3.19Å
300T60Low73.8Confident45 Ų4590.4 Ų90.428%0.27648%0.48SS..G310 helixtrans-88-18.5-178.4-51.70000112T131 P297 R298T131-T300 HydrophobicContact CG2-CG2 3.87Å; P297-T300 VanDerWaalsContact O-CB 3.27Å; P297-T300 WeakPolarHBondContact O-CB 3.05Å; P297-T300 PolarHBondContact O-N 3.24Å; P297-T300 PolarHBondContact O-OG1 3.21Å; R298-T300 PolarHBondContact O-N 2.84Å
301T61.7Low72.7Confident12 Ų1289.9 Ų89.97%0.07448%0.478CS..  trans-13662.5-173.562.90000111.3Y87 P296 R298 Y303Y87-T301 HydrophobicContact CD1-CG2 3.6Å; Y87-T301 HydrophobicContact CE1-CG2 4.12Å; P296-T301 HydrophobicContact CB-CG2 4.3Å; P296-T301 HydrophobicContact CG-CG2 3.76Å; R298-T301 CarbonylContact O-C 3.44Å; R298-T301 PolarHBondContact O-N 2.85Å; T301-Y303 HydrophobicContact CG2-CE1 4.26Å; T301-Y303 PolarHBondContact O-N 2.86Å
302P59.5Low71.3Confident69 Ų6988.4 Ų88.445%0.44846%0.456SS..G310 helixtrans-67.9-15.6-174.228.6-35.3000113.7F304P302-F304 VanDerWaalsContact C-N 3.25Å; P302-F304 PolarHBondContact O-N 3.33Å
303Y65.5Low69.9Low38 Ų3886 Ų8615%0.14945%0.448CS..G310 helixtrans-78.42.7-17757.3-95.8000114.9G86 G124 D127 T301 L305G86-Y303 PolarHBondContact O-OH 2.87Å; G124-Y303 VanDerWaalsContact CA-CG 3.43Å; D127-Y303 HydrophobicContact CB-CD1 4.16Å; T301-Y303 HydrophobicContact CG2-CE1 4.26Å; T301-Y303 PolarHBondContact O-N 2.86Å; Y303-L305 VanDerWaalsContact C-N 3.27Å; Y303-L305 PolarHBondContact O-N 3.36Å
304F55.4Low68.1Low60 Ų6091 Ų9126%0.26348%0.477SS..G310 helixtrans-86.612.3173.7-90-91.7000114.3R85 Y87 Y263 P302R85-F304 WeakPolarHBondContact O-CE1 3.35Å; R85-F304 WeakPolarHBondContact O-CZ 3.4Å; Y87-F304 AromaticContact CD1-CD2 3.86Å; Y87-F304 HydrophobicContact CD1-CD2 3.86Å; Y87-F304 AromaticContact CD1-CE2 3.16Å; Y87-F304 HydrophobicContact CD1-CE2 3.16Å; Y87-F304 AromaticContact CD1-CZ 3.56Å; Y87-F304 HydrophobicContact CD1-CZ 3.56Å; Y87-F304 HydrophobicContact CE1-CD1 4.27Å; Y87-F304 AromaticContact CE1-CD2 3.37Å; Y87-F304 HydrophobicContact CE1-CD2 3.37Å; Y87-F304 HydrophobicContact CE1-CE1 4.02Å; Y87-F304 AromaticContact CE1-CE2 3.06Å; Y87-F304 HydrophobicContact CE1-CE2 3.06Å; Y87-F304 AromaticContact CE1-CG 3.93Å; Y87-F304 HydrophobicContact CE1-CG 3.93Å; Y87-F304 AromaticContact CE1-CZ 3.36Å; Y87-F304 HydrophobicContact CE1-CZ 3.36Å; Y87-F304 HydrophobicContact CG-CE2 4.21Å; Y87-F304 HydrophobicContact CG-CZ 4.27Å; Y87-F304 AromaticContact CZ-CZ 3.87Å; Y263-F304 AromaticContact CD2-CE1 3.72Å; Y263-F304 HydrophobicContact CD2-CE1 3.72Å; Y263-F304 HydrophobicContact CD2-CZ 4.14Å; Y263-F304 AromaticContact CE2-CE1 3.63Å; Y263-F304 HydrophobicContact CE2-CE1 3.63Å; Y263-F304 AromaticContact CE2-CZ 3.54Å; Y263-F304 HydrophobicContact CE2-CZ 3.54Å; P302-F304 VanDerWaalsContact C-N 3.25Å; P302-F304 PolarHBondContact O-N 3.33Å
305L42.3Very low66.2Low220 Ų22090.9 Ų90.9100%1.15247%0.47SS*.  trans-95.10179.5-70.4170000112Y303Y303-L305 VanDerWaalsContact C-N 3.27Å; Y303-L305 PolarHBondContact O-N 3.36Å

Retrieved 305 of 305 residues in 136.5 ms (Link to these results)

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